A0A061INL5_CRIGR Loading...

ATP-binding cassette sub-family F member 1

Required for efficient Cap- and IRES-mediated mRNA translation initiation. Not involved in the ribosome biogenesis.

AlphaFold DB , UniProt , Accession A0A061INL5, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene Abcf1, Length 842 aa.

						>A0A061INL5_CRIGR|A0A061INL5|Abcf1
MPKAPKQQPPEPKWFGSGEDTSPEEKVVKKGKKDKKTKKTFFEELAVEDKQAGEEEKTQKEKEQQQQQQQQKKKRDTRKGRRKKDVDDDGEEEEKELMERLKKLSVPAVDEDQVSAPVPRGGKKAKGGNVFEALIQDESEEEEEEEEEKHAPKPAKPEKNRINKAVSEEQQPGLRSRRGKEEKSKAKAKPQNKFAALDSEEEDDEETTEEKEPPKPGKDREKAKNAEQGEEEEGEEEDGRTKPNDPYANLSKKEKKKLKKQMDYERQVESLKAANAAENDFSVSQAEVSSRQAMLENASDIKLEKFSISAHGKELFVNADLYIVAGRRYGLVGPNGKGKTTLLKHIANRALSIPPNIDVLLCEQEVVADETPAVQAVLRADTKRLKLLEQERQLQGQLEQGDDTAAEKLEKVYEELRATGAAAAEAKARRILAGLGFDPEMQNRPTQKFSGGWRMRVSLARALFMEPTLLMLDEPTNHLDLNAVIWLNNYLQGWKKTLLIVSHDQGFLDDVCTDIIHLDTQRLHYYRGNYMTFKKMYQQKQKELVKQYEKQEKKLKELKAGGKSTKQAEKQTKEVLTRKQQKCRRKNQDEESQEPPELLKRPKEYTVRFTFPDPPPLSPPVLGLHGVTFGYEGQKPLFKNLDFGIDMDSRICIVGPNGVGKSTLLLLLTGKLTPTNGEMRKNHRLKIGFFNQQYAEQLHMEETPTEYLQRSFNLPYQDARKCLGRFGLESHAHTIQICKLSGGQKARVVFAELACREPDVLILDEPTNNLDIESIDALGEAINEYQGAVIVVSHDARLITETNCQLWVVEEQSVSQIDGDFDDYKREVLEALGEVMVNRPRD
					

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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	36.1	Very low	41	Very low	228 Å²	228	150.8 Å²	150.8	100%	1.123	80%	0.803	S	S	*	*				0	159.8	0	-71.9	-160.8	-172.9	0	0	108.7
2	P	58.6	Low	41.3	Very low	114 Å²	114	149.6 Å²	149.6	74%	0.74	81%	0.809	S	S	*	*			cis	-111.9	-175	-3.7	40.3	-28.8	0	0	0	111.9
3	K	34.3	Very low	40.3	Very low	189 Å²	189	149.2 Å²	149.2	82%	0.822	80%	0.795	S	S	*	*			cis	-159.8	159.7	-32.4	-101.4	172.3	180	177.8	0	107.4
4	A	37.9	Very low	39.5	Very low	91 Å²	91	156.1 Å²	156.1	75%	0.752	81%	0.805	S	S	*	*			trans	-80.9	-178.8	174.9	0	0	0	0	0	113.1
5	P	54	Low	38.8	Very low	113 Å²	113	158.1 Å²	158.1	73%	0.734	81%	0.806	S	S	*	*				-153.1	144.4	96.1	37.6	-19.5	0	0	0	118.8
6	K	37.3	Very low	38.1	Very low	195 Å²	195	151.9 Å²	151.9	85%	0.848	79%	0.793	S	S	*	*			trans	53.2	143.1	136.6	-55.1	-179.4	179.1	-175.6	0	119.8
7	Q	31.2	Very low	37.5	Very low	189 Å²	189	150.6 Å²	150.6	88%	0.883	80%	0.8	S	S	*	*				-154	175.1	52.8	-73.5	-177.5	3.5	0	0	114.9
8	Q	29.2	Very low	37	Very low	180 Å²	180	146.1 Å²	146.1	84%	0.841	80%	0.796	S	S	*	*			trans	-155.1	-172.8	-176.2	-118.3	-162.1	-8.7	0	0	108.1
9	P	52.4	Low	36.6	Very low	102 Å²	102	148 Å²	148	66%	0.662	80%	0.799	S	S	*	*			cis	-102.6	-104.7	1.9	21.3	2.5	0	0	0	112.8
10	P	47	Very low	36.3	Very low	120 Å²	120	147.7 Å²	147.7	78%	0.779	80%	0.796	S	S	*	*			cis	-105	-167.7	5.9	43	-35.7	0	0	0	114.3
11	E	32.3	Very low	35.9	Very low	138 Å²	138	147.2 Å²	147.2	65%	0.645	80%	0.799	S	S	*	*			trans	-135	-179	167.1	-60.4	179.2	135.3	0	0	109.6	K13	E11-K13 WeakPolarHBondContact OE2-CE 3.41Å; E11-K13 VanDerWaalsContact OE2-CG 3.3Å; E11-K13 WeakPolarHBondContact OE2-CG 3.46Å
12	P	44.8	Very low	35.4	Very low	136 Å²	136	141.4 Å²	141.4	88%	0.883	78%	0.781	S	S	*	*				-135.9	158.6	96.9	38.8	-29.2	0	0	0	116
13	K	29.1	Very low	35	Very low	144 Å²	144	141.2 Å²	141.2	63%	0.626	78%	0.78	S	S	*	*			trans	-93.2	169.4	-172.8	-51.2	170.7	-177.9	178.7	0	113.5	E11	E11-K13 WeakPolarHBondContact OE2-CE 3.41Å; E11-K13 VanDerWaalsContact OE2-CG 3.3Å; E11-K13 WeakPolarHBondContact OE2-CG 3.46Å
14	W	28.3	Very low	34.5	Very low	247 Å²	247	140.5 Å²	140.5	94%	0.936	78%	0.779	S	S	*	*			trans	-141.1	164.1	133.2	-94.4	95.4	0	0	0	111.5
15	F	28.9	Very low	34.1	Very low	185 Å²	185	144 Å²	144	81%	0.811	78%	0.78	S	S	*	*			trans	-88.6	167.2	-170.5	-68.4	-108.9	0	0	0	112.5
16	G	27.8	Very low	32.7	Very low	59 Å²	59	147.8 Å²	147.8	61%	0.608	79%	0.785	S	S	*	*			cis	160.9	173	-2.2	0	0	0	0	0	112.3
17	S	27.6	Very low	32.1	Very low	130 Å²	130	144.8 Å²	144.8	91%	0.909	78%	0.783	S	S	*	*			trans	61.2	147.2	-175.2	50.3	0	0	0	0	116.3
18	G	29	Very low	32.1	Very low	70 Å²	70	142.3 Å²	142.3	72%	0.722	78%	0.78	S	S	*	*			cis	104.9	135.2	10	0	0	0	0	0	111.5
19	E	30.3	Very low	32	Very low	182 Å²	182	142.9 Å²	142.9	85%	0.85	78%	0.78	S	S	*	*			cis	-162.9	151.3	2.6	-162.5	167.3	-127.6	0	0	109.6
20	D	29.1	Very low	30.8	Very low	141 Å²	141	148 Å²	148	75%	0.754	79%	0.792	S	S	*	*			trans	47.1	151.9	155.4	-89.5	-8.5	0	0	0	127.3
21	T	28.1	Very low	29.8	Very low	138 Å²	138	145.9 Å²	145.9	85%	0.847	79%	0.792	S	S	*	*			trans	76.3	146.5	155.2	53.7	0	0	0	0	123.1
22	S	25.6	Very low	29.4	Very low	107 Å²	107	148.9 Å²	148.9	75%	0.748	80%	0.803	S	S	*	*			trans	-131	178.8	167.3	67.1	0	0	0	0	108
23	P	50.2	Low	28.6	Very low	110 Å²	110	151 Å²	151	71%	0.714	80%	0.798	S	S	*	*			cis	-128.7	-154.3	-10.5	27.6	-2.9	0	0	0	112.2
24	E	25.4	Very low	28.5	Very low	173 Å²	173	150.4 Å²	150.4	81%	0.808	80%	0.802	S	S	*	*			trans	87.2	115.4	160	-58.6	-164.5	164.9	0	0	122
25	E	28.4	Very low	28.6	Very low	166 Å²	166	147.4 Å²	147.4	78%	0.776	80%	0.795	S	S	*	*			trans	35.1	121.8	143.4	-55.6	-155.1	143.2	0	0	122.5
26	K	25.3	Very low	28.6	Very low	191 Å²	191	147.7 Å²	147.7	83%	0.83	80%	0.796	S	S	*	*				-160.7	117.3	118.7	-106.7	153.2	-147.4	84.7	0	117.2
27	V	25.1	Very low	28.7	Very low	132 Å²	132	151.3 Å²	151.3	80%	0.8	81%	0.806	S	S	*	*				51.8	112.2	127.4	-175.5	0	0	0	0	119.9
28	V	29.9	Very low	28.8	Very low	137 Å²	137	155 Å²	155	83%	0.83	81%	0.806	S	S	*	*			trans	-68.2	152.3	168.8	175.6	0	0	0	0	113.4
29	K	27.7	Very low	29	Very low	193 Å²	193	160.8 Å²	160.8	84%	0.839	81%	0.812	S	S	*	*			trans	-116.9	111.7	161.1	-84.7	-177.4	178.2	172	0	113.1
30	K	26.9	Very low	29.2	Very low	209 Å²	209	156.9 Å²	156.9	91%	0.909	80%	0.8	S	S	*	*			trans	28.8	126.3	143.4	-56.3	177.1	179.7	179.7	0	118.2
31	G	25.1	Very low	29.5	Very low	76 Å²	76	157 Å²	157	78%	0.784	80%	0.795	S	S	*	*			cis	127.9	164.2	0.1	0	0	0	0	0	113.1
32	K	25.9	Very low	30	Very low	200 Å²	200	159.4 Å²	159.4	87%	0.87	79%	0.793	S	S	*	*			trans	-179.1	149	137.3	-123.5	175.6	-179.5	174.4	0	112.1
33	K	27.1	Very low	30.6	Very low	182 Å²	182	160.8 Å²	160.8	79%	0.791	79%	0.788	S	S	*	*			trans	68	143.5	173.5	-59.4	-166.8	176	-177.5	0	115.5
34	D	27.1	Very low	30.1	Very low	131 Å²	131	161.3 Å²	161.3	70%	0.701	78%	0.781	S	S	*	*			cis	-156.4	166.9	-16.7	-123.2	-49.4	0	0	0	112.6
35	K	29.2	Very low	30.9	Very low	184 Å²	184	157.7 Å²	157.7	80%	0.8	77%	0.767	S	S	*	*			trans	57	101.1	163.3	-67.1	179.2	179	179.2	0	120.9
36	K	29.8	Very low	31.5	Very low	190 Å²	190	152.7 Å²	152.7	83%	0.826	75%	0.753	S	S	*	*				45	95	123.5	-71.7	-171	175.6	-173.4	0	118.9
37	T	29.8	Very low	32.3	Very low	135 Å²	135	147 Å²	147	83%	0.828	73%	0.734	S	S	*	*				77.9	111.3	97.1	53.8	0	0	0	0	116.7
38	K	29.4	Very low	33	Very low	208 Å²	208	146.6 Å²	146.6	90%	0.904	72%	0.724	S	S	*	*			trans	-74.3	157.6	168.9	-66.7	-170.2	174.2	-167.3	0	112.8
39	K	33.1	Very low	33.5	Very low	192 Å²	192	146.7 Å²	146.7	84%	0.835	72%	0.72	S	S	*	*			trans	-117.8	167.3	149	-100.8	-169.5	172	-167.3	0	109.5
40	T	35.2	Very low	34.1	Very low	100 Å²	100	144.9 Å²	144.9	61%	0.613	71%	0.712	S	S	*	*			trans	-33.9	122.4	179	35.7	0	0	0	0	118.2	F42	T40-F42 VanDerWaalsContact C-N 3.31Å; T40-F42 PolarHBondContact O-N 3.08Å
41	F	34.9	Very low	34.8	Very low	144 Å²	144	140.8 Å²	140.8	63%	0.632	70%	0.696	S	S	*	*	G	3₁₀ helix	trans	-66.4	-21.4	175.8	-178.4	-117.4	0	0	0	114.9	E43 E44	F41-E43 PolarHBondContact O-N 3.33Å; F41-E43 VanDerWaalsContact O-N 3.11Å; F41-E44 PolarHBondContact O-N 3.4Å
42	F	37.9	Very low	35.6	Very low	188 Å²	188	140.1 Å²	140.1	83%	0.825	68%	0.683	S	S	*	*	G	3₁₀ helix	trans	-71.1	-1	-179.1	-105.2	-87.9	0	0	0	115	T40	T40-F42 VanDerWaalsContact C-N 3.31Å; T40-F42 PolarHBondContact O-N 3.08Å
43	E	40.3	Very low	36.4	Very low	135 Å²	135	132.2 Å²	132.2	63%	0.631	66%	0.658	S	S	*	*	G	3₁₀ helix	trans	-102.4	-10.9	178.5	-152.3	165	-163.3	0	0	112.2	F41 V47	F41-E43 PolarHBondContact O-N 3.33Å; F41-E43 VanDerWaalsContact O-N 3.11Å; E43-V47 WeakPolarHBondContact O-CG2 3.35Å
44	E	39.3	Very low	37.2	Very low	121 Å²	121	130 Å²	130	57%	0.565	65%	0.651	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.7	-47.9	179.1	-80	170.7	134.6	0	0	112.5	F41 A46 V47 E48	F41-E44 PolarHBondContact O-N 3.4Å; E44-A46 PolarHBondContact O-N 3.3Å; E44-A46 VanDerWaalsContact O-N 3.14Å; E44-V47 WeakPolarHBondContact O-CB 3.48Å; E44-V47 PolarHBondContact O-N 3.18Å; E44-E48 PolarHBondContact O-N 3.47Å
45	L	41.4	Very low	37.9	Very low	98 Å²	98	130.3 Å²	130.3	51%	0.513	65%	0.648	S	S	.	*	H	α-helix	trans	-57.7	-31	179.3	-78.8	163.9	0	0	0	113.4	V47	L45-V47 PolarHBondContact O-N 3.37Å
46	A	41.5	Very low	38.7	Very low	60 Å²	60	126.4 Å²	126.4	50%	0.496	63%	0.633	S	S	.	*	H	α-helix	trans	-77.3	-0	177.8	0	0	0	0	0	114.5	E44	E44-A46 PolarHBondContact O-N 3.3Å; E44-A46 VanDerWaalsContact O-N 3.14Å
47	V	42.2	Very low	39.4	Very low	71 Å²	71	124.2 Å²	124.2	43%	0.43	62%	0.623	S	S	.	*	H	α-helix	trans	-107.7	-37	178.1	177.1	0	0	0	0	111.4	E43 E44 L45 K50 Q51	E43-V47 WeakPolarHBondContact O-CG2 3.35Å; E44-V47 WeakPolarHBondContact O-CB 3.48Å; E44-V47 PolarHBondContact O-N 3.18Å; L45-V47 PolarHBondContact O-N 3.37Å; V47-K50 PolarHBondContact O-N 3.44Å; V47-K50 VanDerWaalsContact O-N 3.14Å; V47-Q51 PolarHBondContact O-N 3.25Å
48	E	38.6	Very low	40.2	Very low	125 Å²	125	121 Å²	121	58%	0.584	60%	0.603	S	S	*	*	H	α-helix	trans	-63.1	-44.7	-179.7	-64.8	-175	138.2	0	0	112.1	E44 K50 Q51 A52	E44-E48 PolarHBondContact O-N 3.47Å; E48-K50 PolarHBondContact O-N 2.89Å; E48-K50 VanDerWaalsContact O-N 3.1Å; E48-Q51 PolarHBondContact O-N 3.18Å; E48-A52 PolarHBondContact O-N 2.89Å; E48-A52 VanDerWaalsContact O-N 3.07Å
49	D	41.7	Very low	41.2	Very low	139 Å²	139	116.9 Å²	116.9	74%	0.743	59%	0.587	S	S	*	*	H	α-helix	trans	-54.8	-30	173.7	-85.8	-17.6	0	0	0	113.4
50	K	40.8	Very low	42	Very low	154 Å²	154	112.4 Å²	112.4	67%	0.67	57%	0.568	S	S	*	*	H	α-helix	trans	-83.1	-30.9	179	-75.6	176.9	178.5	165.7	0	112.9	V47 E48 E54	V47-K50 PolarHBondContact O-N 3.44Å; V47-K50 VanDerWaalsContact O-N 3.14Å; E48-K50 PolarHBondContact O-N 2.89Å; E48-K50 VanDerWaalsContact O-N 3.1Å; K50-E54 PolarHBondContact O-N 3.21Å
51	Q	40.2	Very low	42.7	Very low	124 Å²	124	113.9 Å²	113.9	58%	0.579	57%	0.568	S	S	*	*	H	α-helix	trans	-75.6	-41.3	178	-69.2	-175.1	-12.4	0	0	111.2	V47 E48 G53 E54 E55	V47-Q51 PolarHBondContact O-N 3.25Å; E48-Q51 PolarHBondContact O-N 3.18Å; Q51-G53 VanDerWaalsContact C-N 3.3Å; Q51-G53 PolarHBondContact O-N 3.28Å; Q51-E54 PolarHBondContact O-N 2.77Å; Q51-E54 VanDerWaalsContact O-N 3.12Å; Q51-E55 PolarHBondContact O-N 3.15Å; Q51-E55 VanDerWaalsContact O-N 3.07Å
52	A	43	Very low	43.6	Very low	62 Å²	62	113.2 Å²	113.2	51%	0.512	57%	0.565	S	S	.	*	H	α-helix	trans	-55.7	-44.1	172.5	0	0	0	0	0	112.2	E48 E54 E55 E56	E48-A52 PolarHBondContact O-N 2.89Å; E48-A52 VanDerWaalsContact O-N 3.07Å; A52-E54 VanDerWaalsContact C-N 3.27Å; A52-E54 PolarHBondContact O-N 3.19Å; A52-E55 PolarHBondContact O-N 3.42Å; A52-E56 PolarHBondContact O-N 3.09Å; A52-E56 VanDerWaalsContact O-N 3.16Å
53	G	41.1	Very low	44.1	Very low	33 Å²	33	110.1 Å²	110.1	34%	0.34	55%	0.552	S	S	.	*	H	α-helix	trans	-70.4	-11.5	178.8	0	0	0	0	0	116.2	Q51 K57	Q51-G53 VanDerWaalsContact C-N 3.3Å; Q51-G53 PolarHBondContact O-N 3.28Å; G53-K57 WeakPolarHBondContact O-CD 3.49Å; G53-K57 WeakPolarHBondContact O-CG 3.45Å
54	E	44	Very low	44.4	Very low	137 Å²	137	109.9 Å²	109.9	64%	0.64	55%	0.551	S	S	*	*	H	α-helix	trans	-98.5	-36.6	173.1	-72.5	-169.1	156.7	0	0	112.2	K50 Q51 A52 K57 T58	K50-E54 PolarHBondContact O-N 3.21Å; Q51-E54 PolarHBondContact O-N 2.77Å; Q51-E54 VanDerWaalsContact O-N 3.12Å; A52-E54 VanDerWaalsContact C-N 3.27Å; A52-E54 PolarHBondContact O-N 3.19Å; E54-K57 PolarHBondContact O-N 3.42Å; E54-T58 WeakPolarHBondContact O-CB 3.48Å; E54-T58 PolarHBondContact O-N 3.15Å; E54-T58 PolarHBondContact O-OG1 3Å
55	E	43	Very low	44.9	Very low	137 Å²	137	110 Å²	110	64%	0.64	55%	0.552	S	S	*	*	H	α-helix	trans	-64.2	-42.2	173.8	-66.8	-151.3	137.3	0	0	111.9	Q51 A52 K57 T58 Q59	Q51-E55 PolarHBondContact O-N 3.15Å; Q51-E55 VanDerWaalsContact O-N 3.07Å; A52-E55 PolarHBondContact O-N 3.42Å; E55-K57 VanDerWaalsContact C-N 3.33Å; E55-K57 PolarHBondContact O-N 3.04Å; E55-T58 CarbonylContact O-C 3.54Å; E55-T58 PolarHBondContact O-N 3.26Å; E55-T58 VanDerWaalsContact O-N 3.11Å; E55-Q59 WeakPolarHBondContact O-CG 3.43Å; E55-Q59 PolarHBondContact O-N 3.13Å
56	E	44.6	Very low	45.2	Very low	102 Å²	102	111.6 Å²	111.6	48%	0.477	56%	0.557	S	S	.	*	H	α-helix	trans	-64.3	-36.6	-179.3	-152.2	-141.7	-168.3	0	0	112.4	A52 Q59 K60	A52-E56 PolarHBondContact O-N 3.09Å; A52-E56 VanDerWaalsContact O-N 3.16Å; E56-Q59 PolarHBondContact O-N 3.42Å; E56-K60 VanDerWaalsContact CD-CE 3.49Å; E56-K60 WeakPolarHBondContact O-CG 3.3Å; E56-K60 PolarHBondContact O-N 3.29Å; E56-K60 VanDerWaalsContact O-N 3.11Å; E56-K60 WeakPolarHBondContact OE1-CE 3.36Å; E56-K60 IonicContact OE1-NZ 3.94Å; E56-K60 PolarHBondContact OE1-NZ 3.06Å; E56-K60 IonicContact OE2-NZ 2.77Å; E56-K60 PolarHBondContact OE2-NZ 3.36Å
57	K	46.2	Very low	45.4	Very low	143 Å²	143	114.4 Å²	114.4	62%	0.622	56%	0.56	S	S	*	*	H	α-helix	trans	-66	-43.2	171.5	-72.5	173.9	-175.1	160.4	0	111.6	G53 E54 E55 Q59 K60 E61	G53-K57 WeakPolarHBondContact O-CD 3.49Å; G53-K57 WeakPolarHBondContact O-CG 3.45Å; E54-K57 PolarHBondContact O-N 3.42Å; E55-K57 VanDerWaalsContact C-N 3.33Å; E55-K57 PolarHBondContact O-N 3.04Å; K57-Q59 PolarHBondContact O-N 3.08Å; K57-K60 PolarHBondContact O-N 3.47Å; K57-E61 PolarHBondContact O-N 3.29Å
58	T	46.6	Very low	45.6	Very low	67 Å²	67	117.2 Å²	117.2	41%	0.411	57%	0.568	S	S	.	*	H	α-helix	trans	-66.2	-27.1	-180	-54.1	0	0	0	0	112.3	E54 E55 K62	E54-T58 WeakPolarHBondContact O-CB 3.48Å; E54-T58 PolarHBondContact O-N 3.15Å; E54-T58 PolarHBondContact O-OG1 3Å; E55-T58 CarbonylContact O-C 3.54Å; E55-T58 PolarHBondContact O-N 3.26Å; E55-T58 VanDerWaalsContact O-N 3.11Å; T58-K62 WeakPolarHBondContact O-CD 3.33Å; T58-K62 VanDerWaalsContact O-CG 3.3Å; T58-K62 WeakPolarHBondContact O-CG 3.48Å
59	Q	49.2	Very low	45.9	Very low	122 Å²	122	117.4 Å²	117.4	57%	0.57	57%	0.569	S	S	*	*	H	α-helix	trans	-74.2	-48.6	169.8	-69.1	-175.3	12.1	0	0	111.7	E55 E56 K57 E61 K62 E63	E55-Q59 WeakPolarHBondContact O-CG 3.43Å; E55-Q59 PolarHBondContact O-N 3.13Å; E56-Q59 PolarHBondContact O-N 3.42Å; K57-Q59 PolarHBondContact O-N 3.08Å; Q59-E61 VanDerWaalsContact C-N 3.32Å; Q59-E61 PolarHBondContact O-N 3.46Å; Q59-K62 WeakPolarHBondContact O-CB 3.48Å; Q59-K62 PolarHBondContact O-N 3.22Å; Q59-E63 PolarHBondContact O-N 3.03Å
60	K	50.6	Low	46.1	Very low	99 Å²	99	116.8 Å²	116.8	43%	0.43	56%	0.562	S	S	.	*	H	α-helix	trans	-60	-36.2	-179.4	-72.2	169.3	-176.8	173.7	0	113.1	E56 K57 Q64	E56-K60 VanDerWaalsContact CD-CE 3.49Å; E56-K60 WeakPolarHBondContact O-CG 3.3Å; E56-K60 PolarHBondContact O-N 3.29Å; E56-K60 VanDerWaalsContact O-N 3.11Å; E56-K60 WeakPolarHBondContact OE1-CE 3.36Å; E56-K60 IonicContact OE1-NZ 3.94Å; E56-K60 PolarHBondContact OE1-NZ 3.06Å; E56-K60 IonicContact OE2-NZ 2.77Å; E56-K60 PolarHBondContact OE2-NZ 3.36Å; K57-K60 PolarHBondContact O-N 3.47Å; K60-Q64 WeakPolarHBondContact O-CG 3.48Å; K60-Q64 PolarHBondContact O-N 2.99Å
61	E	50.7	Low	46.2	Very low	131 Å²	131	116.2 Å²	116.2	61%	0.612	56%	0.562	S	S	*	*	H	α-helix	trans	-66.7	-38.1	171.7	-72.5	-161.9	143.9	0	0	113.3	K57 Q59 Q64 Q65	K57-E61 PolarHBondContact O-N 3.29Å; Q59-E61 VanDerWaalsContact C-N 3.32Å; Q59-E61 PolarHBondContact O-N 3.46Å; E61-Q64 PolarHBondContact O-N 3.47Å; E61-Q65 WeakPolarHBondContact O-CG 3.37Å; E61-Q65 PolarHBondContact O-N 2.95Å
62	K	53.2	Low	46.2	Very low	130 Å²	130	117.4 Å²	117.4	57%	0.565	57%	0.565	S	S	*	*	H	α-helix	trans	-66.9	-39	178.4	-75	170.1	-175.2	168	0	111.8	T58 Q59 Q65 Q66	T58-K62 WeakPolarHBondContact O-CD 3.33Å; T58-K62 VanDerWaalsContact O-CG 3.3Å; T58-K62 WeakPolarHBondContact O-CG 3.48Å; Q59-K62 WeakPolarHBondContact O-CB 3.48Å; Q59-K62 PolarHBondContact O-N 3.22Å; K62-Q65 PolarHBondContact O-N 2.75Å; K62-Q66 WeakPolarHBondContact O-CG 3.37Å; K62-Q66 PolarHBondContact O-N 3.21Å
63	E	48.2	Very low	46.2	Very low	122 Å²	122	122.1 Å²	122.1	57%	0.57	57%	0.574	S	S	*	*	H	α-helix	trans	-64.4	-45.7	175	-68.7	-162.1	115.2	0	0	112.1	Q59 Q65 Q66 Q67	Q59-E63 PolarHBondContact O-N 3.03Å; E63-Q65 VanDerWaalsContact C-N 3.3Å; E63-Q65 PolarHBondContact O-N 3.11Å; E63-Q66 PolarHBondContact O-N 3.34Å; E63-Q66 VanDerWaalsContact O-N 3.13Å; E63-Q67 WeakPolarHBondContact O-CG 3.45Å; E63-Q67 PolarHBondContact O-N 2.92Å
64	Q	46.6	Very low	46.2	Very low	130 Å²	130	128.9 Å²	128.9	61%	0.607	59%	0.594	S	S	*	*	H	α-helix	trans	-60.7	-39	176.6	-71.1	-171.6	12.5	0	0	112.2	K60 E61 Q67 Q68	K60-Q64 WeakPolarHBondContact O-CG 3.48Å; K60-Q64 PolarHBondContact O-N 2.99Å; E61-Q64 PolarHBondContact O-N 3.47Å; Q64-Q67 PolarHBondContact O-N 3.48Å; Q64-Q68 WeakPolarHBondContact O-CG 3.48Å; Q64-Q68 PolarHBondContact O-N 3.05Å; Q64-Q68 VanDerWaalsContact O-N 3.15Å
65	Q	49.3	Very low	45.9	Very low	124 Å²	124	132.4 Å²	132.4	58%	0.579	60%	0.601	S	S	*	*	H	α-helix	trans	-66.5	-37.9	174.2	-71	-173.4	28.5	0	0	112.9	E61 K62 E63 Q69	E61-Q65 WeakPolarHBondContact O-CG 3.37Å; E61-Q65 PolarHBondContact O-N 2.95Å; K62-Q65 PolarHBondContact O-N 2.75Å; E63-Q65 VanDerWaalsContact C-N 3.3Å; E63-Q65 PolarHBondContact O-N 3.11Å; Q65-Q69 PolarHBondContact O-N 3.02Å
66	Q	47.1	Very low	45.6	Very low	131 Å²	131	131.9 Å²	131.9	61%	0.612	60%	0.603	S	S	*	*	H	α-helix	trans	-65.4	-43.4	174.5	-74.1	-164	20.1	0	0	112.4	K62 E63 Q68 Q69 Q70	K62-Q66 WeakPolarHBondContact O-CG 3.37Å; K62-Q66 PolarHBondContact O-N 3.21Å; E63-Q66 PolarHBondContact O-N 3.34Å; E63-Q66 VanDerWaalsContact O-N 3.13Å; Q66-Q68 VanDerWaalsContact C-N 3.34Å; Q66-Q68 PolarHBondContact O-N 3.44Å; Q66-Q69 PolarHBondContact O-N 3.12Å; Q66-Q69 VanDerWaalsContact O-N 3.15Å; Q66-Q70 PolarHBondContact O-N 3.11Å
67	Q	46.6	Very low	45.2	Very low	120 Å²	120	132.4 Å²	132.4	56%	0.561	61%	0.613	S	S	*	*	H	α-helix	trans	-61.4	-41	178.1	-68.6	-173.2	15.7	0	0	111.9	E63 Q64 Q69 Q70 Q71	E63-Q67 WeakPolarHBondContact O-CG 3.45Å; E63-Q67 PolarHBondContact O-N 2.92Å; Q64-Q67 PolarHBondContact O-N 3.48Å; Q67-Q69 VanDerWaalsContact C-N 3.34Å; Q67-Q69 PolarHBondContact O-N 3.07Å; Q67-Q70 PolarHBondContact O-N 3.3Å; Q67-Q71 PolarHBondContact O-N 3.49Å; Q67-Q71 VanDerWaalsContact O-N 3.09Å
68	Q	45.5	Very low	44.6	Very low	130 Å²	130	136.7 Å²	136.7	61%	0.607	63%	0.625	S	S	*	*	H	α-helix	trans	-65	-33	175	-70.4	-170.1	23.7	0	0	113.4	Q64 Q66 K72	Q64-Q68 WeakPolarHBondContact O-CG 3.48Å; Q64-Q68 PolarHBondContact O-N 3.05Å; Q64-Q68 VanDerWaalsContact O-N 3.15Å; Q66-Q68 VanDerWaalsContact C-N 3.34Å; Q66-Q68 PolarHBondContact O-N 3.44Å; Q68-K72 PolarHBondContact O-N 3.3Å
69	Q	45	Very low	44	Very low	128 Å²	128	143.1 Å²	143.1	60%	0.598	65%	0.648	S	S	*	*	H	α-helix	trans	-70.7	-37.6	173.9	-71.1	-167.6	22.5	0	0	112.7	Q65 Q66 Q67 K72 K73	Q65-Q69 PolarHBondContact O-N 3.02Å; Q66-Q69 PolarHBondContact O-N 3.12Å; Q66-Q69 VanDerWaalsContact O-N 3.15Å; Q67-Q69 VanDerWaalsContact C-N 3.34Å; Q67-Q69 PolarHBondContact O-N 3.07Å; Q69-K72 PolarHBondContact O-N 3.48Å; Q69-K73 PolarHBondContact O-N 3.39Å
70	Q	45.9	Very low	43.3	Very low	126 Å²	126	140.4 Å²	140.4	59%	0.589	65%	0.652	S	S	*	*	H	α-helix	trans	-65.8	-39.5	176	-67.2	-168.5	21.5	0	0	112.1	Q66 Q67 K72 K73 K74	Q66-Q70 PolarHBondContact O-N 3.11Å; Q67-Q70 PolarHBondContact O-N 3.3Å; Q70-K72 VanDerWaalsContact C-N 3.34Å; Q70-K72 PolarHBondContact O-N 3.16Å; Q70-K73 PolarHBondContact O-N 2.7Å; Q70-K74 PolarHBondContact O-N 3.2Å
71	Q	43.2	Very low	42.5	Very low	143 Å²	143	147.7 Å²	147.7	67%	0.668	68%	0.677	S	S	*	*	H	α-helix	trans	-65.2	-33.2	176.2	-70.1	-170.4	9.6	0	0	113.1	Q67	Q67-Q71 PolarHBondContact O-N 3.49Å; Q67-Q71 VanDerWaalsContact O-N 3.09Å
72	K	41.4	Very low	41.4	Very low	148 Å²	148	153.3 Å²	153.3	64%	0.643	69%	0.692	S	S	*	*	H	α-helix	trans	-66	-45.9	171.2	-78.2	179.8	176.6	172.9	0	112.1	Q68 Q69 Q70 K74 R75 D76	Q68-K72 PolarHBondContact O-N 3.3Å; Q69-K72 PolarHBondContact O-N 3.48Å; Q70-K72 VanDerWaalsContact C-N 3.34Å; Q70-K72 PolarHBondContact O-N 3.16Å; K72-K74 VanDerWaalsContact C-N 3.28Å; K72-K74 PolarHBondContact O-N 3.05Å; K72-R75 WeakPolarHBondContact O-CB 3.46Å; K72-R75 PolarHBondContact O-N 3.14Å; K72-D76 PolarHBondContact O-N 3.07Å
73	K	42.2	Very low	40.3	Very low	162 Å²	162	156.7 Å²	156.7	70%	0.704	71%	0.707	S	S	*	*	H	α-helix	trans	-60.2	-32	178.4	-75.7	-177	175.8	177.2	0	113.9	Q69 Q70 R75 T77	Q69-K73 PolarHBondContact O-N 3.39Å; Q70-K73 PolarHBondContact O-N 2.7Å; K73-R75 VanDerWaalsContact C-N 3.29Å; K73-R75 PolarHBondContact O-N 3.34Å; K73-T77 PolarHBondContact O-OG1 2.65Å
74	K	41.2	Very low	39.3	Very low	175 Å²	175	159.6 Å²	159.6	76%	0.761	72%	0.718	S	S	*	*	H	α-helix	trans	-74.1	-10.8	172.1	-78.8	-173.5	174.9	178.9	0	114.6	Q70 K72	Q70-K74 PolarHBondContact O-N 3.2Å; K72-K74 VanDerWaalsContact C-N 3.28Å; K72-K74 PolarHBondContact O-N 3.05Å
75	R	36.7	Very low	38.5	Very low	210 Å²	210	159 Å²	159	79%	0.792	72%	0.719	S	S	*	*	H	α-helix	trans	-97.4	-36.7	-176	-155.8	168.4	-176.5	171.5	-0.6	113.3	K72 K73	K72-R75 WeakPolarHBondContact O-CB 3.46Å; K72-R75 PolarHBondContact O-N 3.14Å; K73-R75 VanDerWaalsContact C-N 3.29Å; K73-R75 PolarHBondContact O-N 3.34Å
76	D	36.7	Very low	37.6	Very low	127 Å²	127	159.2 Å²	159.2	68%	0.679	73%	0.728	S	S	*	*	H	α-helix	trans	-80.5	-28.3	179.7	-69.2	-50.9	0	0	0	113.8	K72 R78 K79	K72-D76 PolarHBondContact O-N 3.07Å; D76-R78 PolarHBondContact O-N 3.1Å; D76-R78 VanDerWaalsContact O-N 3.08Å; D76-K79 PolarHBondContact O-N 3.42Å
77	T	36.6	Very low	36.8	Very low	113 Å²	113	159.3 Å²	159.3	69%	0.693	73%	0.733	S	S	*	*	G	3₁₀ helix	trans	-61.6	-16.4	174.9	34	0	0	0	0	113.8	K73	K73-T77 PolarHBondContact O-OG1 2.65Å
78	R	34.5	Very low	36.2	Very low	233 Å²	233	160.7 Å²	160.7	88%	0.879	74%	0.744	S	S	*	*	G	3₁₀ helix	trans	-92.1	7.8	-178.2	-146.2	174.2	-173.8	175.6	3	115.2	D76	D76-R78 PolarHBondContact O-N 3.1Å; D76-R78 VanDerWaalsContact O-N 3.08Å
79	K	33	Very low	35.7	Very low	202 Å²	202	161.9 Å²	161.9	88%	0.878	76%	0.755	S	S	*	*	G	3₁₀ helix	trans	-113.6	-1.5	174.1	-88	-173.8	173.3	-178.5	0	115	D76	D76-K79 PolarHBondContact O-N 3.42Å
80	G	35.9	Very low	35	Very low	64 Å²	64	158.7 Å²	158.7	66%	0.66	76%	0.756	S	S	*	*	S	Bend	trans	-110	17.5	-161.5	0	0	0	0	0	118.6
81	R	32.7	Very low	34.3	Very low	252 Å²	252	160.9 Å²	160.9	95%	0.951	77%	0.766	S	S	*	*			trans	-152.9	107.8	173.5	-115.2	169.1	-178.7	174	-1.6	112.7
82	R	28	Very low	34	Very low	249 Å²	249	162.5 Å²	162.5	94%	0.94	77%	0.774	S	S	*	*			trans	-152.6	75.1	174.3	-142.3	-177	-168.3	-158.3	3.3	111.3
83	K	29.4	Very low	33.8	Very low	202 Å²	202	164.1 Å²	164.1	88%	0.878	78%	0.784	S	S	*	*			trans	-178.8	141.2	153.9	-109.9	173.3	-179.8	-178.1	0	111.8
84	K	28.2	Very low	33.8	Very low	182 Å²	182	163.8 Å²	163.8	79%	0.791	79%	0.785	S	S	*	*			trans	71.8	134.3	164.3	-64.5	-126.7	162.4	-155.9	0	119.3
85	D	29.9	Very low	33.7	Very low	118 Å²	118	163 Å²	163	63%	0.631	78%	0.781	S	S	*	*			cis	-177	159.5	-36.9	-85.9	-19.6	0	0	0	104.7
86	V	29.6	Very low	33.9	Very low	128 Å²	128	159 Å²	159	78%	0.776	77%	0.772	S	S	*	*			trans	72.3	130.2	168.7	-179.6	0	0	0	0	116.5
87	D	31.6	Very low	34.2	Very low	134 Å²	134	158.9 Å²	158.9	72%	0.717	77%	0.77	S	S	*	*			cis	-158.9	162.2	-16.3	-97.3	-10.9	0	0	0	108.9
88	D	33	Very low	34.4	Very low	149 Å²	149	160.3 Å²	160.3	80%	0.797	77%	0.771	S	S	*	*			trans	40.9	143.3	153.4	-80.2	14.3	0	0	0	123.7
89	D	36	Very low	34.8	Very low	155 Å²	155	156.3 Å²	156.3	83%	0.829	76%	0.762	S	S	*	*			cis	-162.2	163.8	-13.9	-168.9	17.6	0	0	0	110.4
90	G	29.4	Very low	35.1	Very low	60 Å²	60	155 Å²	155	62%	0.619	75%	0.751	S	S	*	*			trans	98.1	81.6	154.4	0	0	0	0	0	119.2
91	E	31.3	Very low	35.1	Very low	173 Å²	173	158.6 Å²	158.6	81%	0.808	76%	0.755	S	S	*	*			trans	-162.9	106.1	157.8	-130.1	173.2	-139.2	0	0	112.4
92	E	36.2	Very low	35.3	Very low	176 Å²	176	155.2 Å²	155.2	82%	0.822	75%	0.747	S	S	*	*			trans	-126.5	-11.3	-173.5	-147.2	166.6	-141.3	0	0	116.6
93	E	38.3	Very low	35.7	Very low	183 Å²	183	152 Å²	152	86%	0.855	74%	0.74	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82	-25.6	-172	-61.9	-166.7	143.9	0	0	115.9	K95	E93-K95 VanDerWaalsContact C-N 3.28Å; E93-K95 PolarHBondContact O-N 3.28Å
94	E	41.8	Very low	35.8	Very low	155 Å²	155	150.2 Å²	150.2	72%	0.724	74%	0.739	S	S	*	*	H	α-helix	trans	-67.2	-22.2	-174.2	-76.2	-151.2	134.3	0	0	115
95	K	39.8	Very low	35.7	Very low	157 Å²	157	147 Å²	147	68%	0.683	74%	0.74	S	S	*	*	H	α-helix	trans	-76.7	-27.2	-166.9	-63.8	-174.6	-171.2	86.7	0	113.8	E93	E93-K95 VanDerWaalsContact C-N 3.28Å; E93-K95 PolarHBondContact O-N 3.28Å
96	E	40.6	Very low	35.7	Very low	127 Å²	127	148.1 Å²	148.1	59%	0.593	75%	0.75	S	S	*	*	H	α-helix	trans	-80.5	-27.5	-176.8	-143.2	-162.2	146.7	0	0	113.1	R100	E96-R100 IonicContact OE1-CZ 2.61Å; E96-R100 IonicContact OE1-NE 3.65Å; E96-R100 IonicContact OE1-NH2 2.84Å; E96-R100 PolarHBondContact OE1-NH2 2.94Å
97	L	42.8	Very low	35.9	Very low	124 Å²	124	147.6 Å²	147.6	65%	0.649	75%	0.75	S	S	*	*	H	α-helix	trans	-68.6	-41.7	179.3	-92.3	160.2	0	0	0	112.7	E99 R100 L101	L97-E99 PolarHBondContact O-N 3.14Å; L97-R100 PolarHBondContact O-N 3.01Å; L97-L101 PolarHBondContact O-N 3.31Å
98	M	41.3	Very low	35.7	Very low	143 Å²	143	146 Å²	146	70%	0.704	76%	0.756	S	S	*	*	H	α-helix	trans	-68.5	-18.3	-176.2	-79	-71.7	-82.6	0	0	114.3
99	E	41.9	Very low	35.3	Very low	150 Å²	150	145.2 Å²	145.2	70%	0.701	76%	0.755	S	S	*	*	H	α-helix	trans	-88.5	-25.2	177.1	-153.8	170.6	-137.9	0	0	112.9	L97	L97-E99 PolarHBondContact O-N 3.14Å
100	R	38.3	Very low	34.9	Very low	173 Å²	173	145.1 Å²	145.1	65%	0.653	76%	0.755	S	S	*	*	H	α-helix	trans	-74.6	-38.2	175.8	-68.8	-174.5	-176.1	175.2	6.7	112.9	E96 L97 K102	E96-R100 IonicContact OE1-CZ 2.61Å; E96-R100 IonicContact OE1-NE 3.65Å; E96-R100 IonicContact OE1-NH2 2.84Å; E96-R100 PolarHBondContact OE1-NH2 2.94Å; L97-R100 PolarHBondContact O-N 3.01Å; R100-K102 PolarHBondContact O-N 2.84Å; R100-K102 VanDerWaalsContact O-N 3.08Å
101	L	37.5	Very low	34.7	Very low	140 Å²	140	151 Å²	151	73%	0.733	77%	0.766	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.1	-11.3	178	-84.2	161.6	0	0	0	114.3	L97	L97-L101 PolarHBondContact O-N 3.31Å
102	K	36.4	Very low	34.5	Very low	182 Å²	182	149.1 Å²	149.1	79%	0.791	76%	0.762	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.2	8.5	-172	-137.5	171.7	-172.7	174.1	0	115.4	R100	R100-K102 PolarHBondContact O-N 2.84Å; R100-K102 VanDerWaalsContact O-N 3.08Å
103	K	35.7	Very low	34.1	Very low	180 Å²	180	148.1 Å²	148.1	78%	0.783	76%	0.757	S	S	*	*	S	Bend	trans	-118.1	7.3	-177.8	-78.5	-179.8	176.2	169.2	0	115.2
104	L	31.1	Very low	33.4	Very low	166 Å²	166	146 Å²	146	87%	0.869	76%	0.756	S	S	*	*			trans	-126.9	71.2	-179.9	-76.7	168.1	0	0	0	111.9
105	S	27.3	Very low	32.6	Very low	115 Å²	115	144.4 Å²	144.4	80%	0.804	76%	0.762	S	S	*	*			trans	-149.7	135.5	156.5	50	0	0	0	0	109.4
106	V	29.9	Very low	32	Very low	140 Å²	140	141.1 Å²	141.1	85%	0.848	76%	0.764	S	S	*	*			trans	-123.1	140.3	-179.4	174.9	0	0	0	0	106.7
107	P	33.9	Very low	31.7	Very low	118 Å²	118	140.7 Å²	140.7	77%	0.766	77%	0.773	S	S	*	*			trans	-85.7	177.6	-163.3	34.9	-37.7	0	0	0	114.5
108	A	26.8	Very low	31	Very low	101 Å²	101	141 Å²	141	84%	0.835	78%	0.779	S	S	*	*			trans	-63.7	167.5	177.8	0	0	0	0	0	114.2
109	V	25.5	Very low	31.5	Very low	131 Å²	131	139 Å²	139	79%	0.794	78%	0.778	S	S	*	*			trans	-126	137.5	-179.1	179.6	0	0	0	0	109
110	D	25.9	Very low	30.7	Very low	153 Å²	153	143.8 Å²	143.8	82%	0.818	79%	0.789	S	S	*	*			trans	-135.8	143	163.2	-91.8	-44.6	0	0	0	109.3
111	E	26.7	Very low	30.1	Very low	183 Å²	183	139.5 Å²	139.5	86%	0.855	80%	0.799	S	S	*	*			trans	44.7	111.1	156.2	-64.7	-160.5	151.1	0	0	122.5
112	D	27.1	Very low	29.6	Very low	134 Å²	134	136.8 Å²	136.8	72%	0.717	81%	0.805	S	S	*	*				103.1	146.7	115.8	-141.2	22.5	0	0	0	124
113	Q	27	Very low	29.1	Very low	156 Å²	156	137.9 Å²	137.9	73%	0.729	81%	0.81	S	S	*	*			trans	72.6	92.8	159	-78.6	168.1	66.1	0	0	124.7
114	V	24.9	Very low	28.7	Very low	137 Å²	137	139.2 Å²	139.2	83%	0.83	82%	0.815	S	S	*	*				36.5	116	123.1	-171	0	0	0	0	120.8
115	S	24.5	Very low	28.5	Very low	122 Å²	122	135.3 Å²	135.3	85%	0.853	81%	0.807	S	S	*	*				167	159.6	117.3	51.3	0	0	0	0	114.9
116	A	26.1	Very low	28.6	Very low	88 Å²	88	140 Å²	140	73%	0.727	81%	0.813	S	S	*	*			trans	-127.1	159.2	170.9	0	0	0	0	0	109
117	P	36	Very low	28.5	Very low	118 Å²	118	137.1 Å²	137.1	77%	0.766	81%	0.812	S	S	*	*				-157.6	150.8	71.7	39.8	-17.7	0	0	0	120.5
118	V	26.3	Very low	28.2	Very low	130 Å²	130	135.3 Å²	135.3	79%	0.788	81%	0.814	S	S	*	*				9.7	156.4	123.2	-131.3	0	0	0	0	119.9
119	P	52.4	Low	28.2	Very low	103 Å²	103	137.8 Å²	137.8	67%	0.669	81%	0.814	S	S	*	*				-137.8	-174.2	-52.6	43.9	-29.2	0	0	0	115
120	R	25.7	Very low	28.3	Very low	249 Å²	249	137.1 Å²	137.1	94%	0.94	81%	0.81	S	S	*	*			trans	149.2	146.1	144.3	-82.5	157.8	-172.5	-165.8	4.3	110.2
121	G	24.5	Very low	28.3	Very low	83 Å²	83	139.4 Å²	139.4	86%	0.856	81%	0.813	S	S	*	*			cis	149.5	136.1	-7.7	0	0	0	0	0	112.4
122	G	26.9	Very low	28.4	Very low	84 Å²	84	140.1 Å²	140.1	87%	0.866	82%	0.816	S	S	*	*			trans	154.9	128	171.4	0	0	0	0	0	116.9
123	K	26.3	Very low	28.3	Very low	204 Å²	204	138.3 Å²	138.3	89%	0.887	82%	0.82	S	S	*	*			trans	-95.6	148.5	-172.9	-57.7	173.5	178.8	178.7	0	114.3
124	K	27.9	Very low	28.4	Very low	208 Å²	208	139.3 Å²	139.3	90%	0.904	83%	0.829	S	S	*	*			trans	137.6	153	139.8	-77.2	165	-179.1	178.9	0	113.4
125	A	27.8	Very low	28.5	Very low	85 Å²	85	140.7 Å²	140.7	70%	0.702	83%	0.83	S	S	*	*			cis	-175.4	148.4	-28.7	0	0	0	0	0	112.1
126	K	28.3	Very low	28.5	Very low	213 Å²	213	143.3 Å²	143.3	93%	0.926	83%	0.829	S	S	*	*			trans	77.8	140.4	162.8	-64.3	-172.1	174.4	-174	0	120.5
127	G	26.9	Very low	28.6	Very low	79 Å²	79	146.4 Å²	146.4	81%	0.814	83%	0.833	S	S	*	*			trans	93.4	118	177.6	0	0	0	0	0	111.7
128	G	28	Very low	28.3	Very low	80 Å²	80	150.2 Å²	150.2	83%	0.825	84%	0.841	S	S	*	*			cis	101.7	115.3	13.1	0	0	0	0	0	110.1
129	N	27.4	Very low	28.3	Very low	154 Å²	154	148.3 Å²	148.3	82%	0.824	83%	0.833	S	S	*	*			cis	-161	167.3	15.3	-164.8	22.7	0	0	0	112.5
130	V	27.3	Very low	27.1	Very low	117 Å²	117	151 Å²	151	71%	0.709	84%	0.836	S	S	*	*			trans	82.6	134.6	165	-162.1	0	0	0	0	118.8
131	F	26.6	Very low	27.2	Very low	201 Å²	201	147.2 Å²	147.2	88%	0.882	83%	0.83	S	S	*	*	S	Bend	trans	85.9	40.6	160.2	-121.2	-80.7	0	0	0	122.6
132	E	27.6	Very low	27.4	Very low	198 Å²	198	152.2 Å²	152.2	93%	0.925	83%	0.831	S	S	*	*			trans	-153.5	118.2	147.5	-144.4	165.1	-154.7	0	0	111.9
133	A	26.3	Very low	27.4	Very low	96 Å²	96	157.5 Å²	157.5	79%	0.793	83%	0.833	S	S	*	*			trans	-169.2	136.8	172.8	0	0	0	0	0	111.2
134	L	29.4	Very low	27.4	Very low	176 Å²	176	156.7 Å²	156.7	92%	0.921	83%	0.832	S	S	*	*			trans	101.4	51.6	-179.1	-61.5	165.5	0	0	0	116.9
135	I	26.4	Very low	27.2	Very low	166 Å²	166	156.4 Å²	156.4	85%	0.851	83%	0.834	S	S	*	*			trans	-134.4	98.6	148.4	-57.4	178.7	0	0	0	108.1
136	Q	25.2	Very low	27.3	Very low	178 Å²	178	161.8 Å²	161.8	83%	0.832	85%	0.845	S	S	*	*			trans	-178.3	166.2	154.6	-106.7	164.4	1.1	0	0	109
137	D	27.8	Very low	27.1	Very low	153 Å²	153	159.4 Å²	159.4	82%	0.818	84%	0.837	S	S	*	*			trans	67.7	120.6	-173.6	-45.5	-24.7	0	0	0	112.5
138	E	28.6	Very low	27.1	Very low	198 Å²	198	163.1 Å²	163.1	93%	0.925	83%	0.833	S	S	*	*			cis	-141	155.4	9	-60	169.9	134.5	0	0	110.1
139	S	26.4	Very low	27	Very low	89 Å²	89	166.6 Å²	166.6	62%	0.622	83%	0.825	S	S	*	*			trans	-147.5	144	169.5	67.4	0	0	0	0	111.4
140	E	27.2	Very low	26.9	Very low	159 Å²	159	168 Å²	168	74%	0.743	83%	0.827	S	S	*	*			trans	58.9	148.1	173.3	-65.7	105.7	-132.3	0	0	116.8
141	E	29	Very low	26.9	Very low	171 Å²	171	166.8 Å²	166.8	80%	0.799	83%	0.829	S	S	*	*			cis	-162.2	160	-9.5	-116.5	165.2	-166	0	0	107.4
142	E	28	Very low	27	Very low	187 Å²	187	163.2 Å²	163.2	87%	0.874	83%	0.826	S	S	*	*			trans	-166.4	118.1	152.3	-116.4	160.3	-155.1	0	0	111.3
143	E	26.3	Very low	26.8	Very low	195 Å²	195	163.2 Å²	163.2	91%	0.911	82%	0.823	S	S	*	*			trans	-102.3	144.7	160.7	-62.1	-177	137.8	0	0	107.8
144	E	26.9	Very low	27.5	Very low	188 Å²	188	164.5 Å²	164.5	88%	0.879	82%	0.823	S	S	*	*			trans	-122.3	120.6	172.2	-73.5	-168	134.7	0	0	110.7
145	E	24.9	Very low	27.2	Very low	201 Å²	201	161 Å²	161	94%	0.939	82%	0.819	S	S	*	*			trans	-105.2	161.6	160.6	-78.4	-161.6	139.3	0	0	110.8
146	E	28.4	Very low	27.1	Very low	198 Å²	198	162.7 Å²	162.7	93%	0.925	82%	0.821	S	S	*	*			trans	-80.9	148.8	-173.1	-52	-176	134.3	0	0	113.9
147	E	24.8	Very low	27.7	Very low	164 Å²	164	159.6 Å²	159.6	77%	0.766	82%	0.816	S	S	*	*			trans	-155.2	152.4	140.8	-128.1	-155.8	175.4	0	0	113.9	K149	E147-K149 IonicContact OE1-NZ 3.42Å; E147-K149 PolarHBondContact OE1-NZ 3.42Å; E147-K149 IonicContact OE2-NZ 2.63Å; E147-K149 PolarHBondContact OE2-NZ 3.48Å
148	E	25.9	Very low	27.5	Very low	157 Å²	157	158.8 Å²	158.8	73%	0.734	81%	0.808	S	S	*	*			trans	-77.2	166.3	178.4	-51.3	-178.1	110.2	0	0	113.7
149	K	25.9	Very low	27.5	Very low	152 Å²	152	156.3 Å²	156.3	66%	0.661	79%	0.793	S	S	*	*				-176.6	165.8	117.8	-94.1	136	-142.2	164.7	0	116.1	E147	E147-K149 IonicContact OE1-NZ 3.42Å; E147-K149 PolarHBondContact OE1-NZ 3.42Å; E147-K149 IonicContact OE2-NZ 2.63Å; E147-K149 PolarHBondContact OE2-NZ 3.48Å
150	H	26.3	Very low	27.5	Very low	184 Å²	184	157.5 Å²	157.5	85%	0.852	79%	0.793	S	S	*	*			trans	-70.9	168.6	-163.5	-68.9	-62.8	0	0	0	118.8
151	A	26.1	Very low	27.5	Very low	92 Å²	92	159.4 Å²	159.4	76%	0.76	79%	0.793	S	S	*	*			trans	-83.5	167.9	169.6	0	0	0	0	0	114.4
152	P	28.9	Very low	27.4	Very low	126 Å²	126	157.8 Å²	157.8	82%	0.818	79%	0.789	S	S	*	*				-139.3	176.3	129	37.6	-24.9	0	0	0	115.6
153	K	24.8	Very low	27.3	Very low	197 Å²	197	155.3 Å²	155.3	86%	0.857	78%	0.782	S	S	*	*			trans	-122.8	-166.4	170.1	-46.6	173.4	178.4	169.5	0	108.1
154	P	39.6	Very low	27.3	Very low	124 Å²	124	155.2 Å²	155.2	81%	0.805	78%	0.778	S	S	*	*			cis	-131.1	170.9	-26.6	38.1	-22.9	0	0	0	114.1
155	A	23.4	Very low	27.2	Very low	101 Å²	101	150 Å²	150	84%	0.835	77%	0.768	S	S	*	*			trans	-164.7	162.8	151.1	0	0	0	0	0	114.4
156	K	23.8	Very low	27.2	Very low	202 Å²	202	146.4 Å²	146.4	88%	0.878	76%	0.759	S	S	*	*			trans	-145.2	-177.1	174.2	-84	-170.3	179	-178.2	0	107.2
157	P	38	Very low	27	Very low	113 Å²	113	141.5 Å²	141.5	73%	0.734	75%	0.747	S	S	*	*			cis	-131.5	-166	5.5	46.6	-29.1	0	0	0	113.1
158	E	25.3	Very low	27	Very low	137 Å²	137	140.5 Å²	140.5	64%	0.64	74%	0.742	S	S	*	*			cis	-139.3	-114.3	6.9	-156.9	-162.3	103.7	0	0	111.7
159	K	26.8	Very low	26.9	Very low	145 Å²	145	140.8 Å²	140.8	63%	0.63	74%	0.743	S	S	*	*			cis	-154.5	133.8	-10.8	-160	121.4	-164.1	76.3	0	111.4
160	N	26.8	Very low	26.8	Very low	114 Å²	114	141.5 Å²	141.5	61%	0.61	75%	0.749	S	S	*	*			trans	60.9	143.6	165.7	-66.1	-30.6	0	0	0	119.5
161	R	27.7	Very low	26.6	Very low	199 Å²	199	141.3 Å²	141.3	75%	0.751	75%	0.748	S	S	*	*			cis	-167	139.9	-9.2	-114.8	171.3	-176.3	-159.4	-2.9	110.7
162	I	27.1	Very low	26.8	Very low	137 Å²	137	143 Å²	143	70%	0.703	75%	0.751	S	S	*	*			trans	61.8	130.3	139.7	-66.3	168.9	0	0	0	117.8
163	N	26.1	Very low	26.4	Very low	136 Å²	136	140 Å²	140	73%	0.727	74%	0.744	S	S	*	*			cis	-161.1	164.1	4.1	-121.6	-5	0	0	0	113.1
164	K	25.3	Very low	26.4	Very low	192 Å²	192	138.4 Å²	138.4	84%	0.835	74%	0.744	S	S	*	*			trans	2.9	156.9	154.8	-68.4	-175.3	171.6	-174.3	0	122.6
165	A	26.4	Very low	25.6	Very low	80 Å²	80	143.3 Å²	143.3	66%	0.661	75%	0.746	S	S	*	*			cis	177.2	152	-18	0	0	0	0	0	111.4
166	V	24.2	Very low	25.7	Very low	124 Å²	124	142.8 Å²	142.8	75%	0.752	74%	0.737	S	S	*	*			trans	66.9	153.8	162.2	168.6	0	0	0	0	115.9	E168	V166-E168 WeakPolarHBondContact CG2-OE2 3.44Å
167	S	24.7	Very low	25.8	Very low	96 Å²	96	144.3 Å²	144.3	67%	0.671	74%	0.737	S	S	*	*			cis	-116.1	176.8	-0.8	74.6	0	0	0	0	111.9
168	E	24.5	Very low	25.2	Very low	142 Å²	142	150.9 Å²	150.9	66%	0.664	75%	0.747	S	S	*	*			cis	82.6	138.3	15.2	-54.2	100	-127.1	0	0	119.2	V166	V166-E168 WeakPolarHBondContact CG2-OE2 3.44Å
169	E	23.9	Very low	25.1	Very low	163 Å²	163	147.3 Å²	147.3	76%	0.762	75%	0.747	S	S	*	*			trans	41.3	128.2	174.8	-66.7	-135.7	104.2	0	0	124.5
170	Q	23.2	Very low	25	Very low	167 Å²	167	149.4 Å²	149.4	78%	0.78	76%	0.756	S	S	*	*			trans	52.6	154.7	138.5	-54.9	-166.4	39.3	0	0	123.7
171	Q	22.8	Very low	24.8	Very low	181 Å²	181	151 Å²	151	85%	0.846	76%	0.76	S	S	*	*			trans	-71	165.1	165.4	-63	-175.2	10.5	0	0	110.4
172	P	29.5	Very low	24.6	Very low	126 Å²	126	148.4 Å²	148.4	82%	0.818	76%	0.756	S	S	*	*			cis	-147.6	-170.4	24.7	43.6	-23.2	0	0	0	117.2
173	G	21.7	Very low	24.5	Very low	65 Å²	65	150.1 Å²	150.1	67%	0.67	76%	0.759	S	S	*	*				109.6	85.1	130	0	0	0	0	0	121.4
174	L	24.6	Very low	24.4	Very low	163 Å²	163	147.8 Å²	147.8	85%	0.853	75%	0.753	S	S	*	*				42.1	109	122.9	-77.7	162.8	0	0	0	120.9
175	R	22.9	Very low	24.4	Very low	226 Å²	226	148.2 Å²	148.2	85%	0.853	76%	0.755	S	S	*	*				171	123.5	104.3	-97.8	165.2	179	-176.2	-0.1	116.6
176	S	25	Very low	24.3	Very low	91 Å²	91	148.7 Å²	148.7	64%	0.636	76%	0.759	S	S	*	*				49.9	143.1	123.9	81.2	0	0	0	0	120.8
177	R	26.2	Very low	24.2	Very low	233 Å²	233	152.6 Å²	152.6	88%	0.879	77%	0.766	S	S	*	*			cis	-146.6	-173.5	31.8	-46.3	167.9	-173.8	112.1	0.9	108.1
178	R	25	Very low	24.2	Very low	251 Å²	251	152.8 Å²	152.8	95%	0.947	77%	0.773	S	S	*	*			cis	-163.4	154.7	1.8	-167.3	-178.3	-169.8	-173.1	4.6	105.5
179	G	22.9	Very low	24.5	Very low	62 Å²	62	155.5 Å²	155.5	64%	0.639	78%	0.782	S	S	*	*			cis	163	165	-9.2	0	0	0	0	0	111
180	K	24	Very low	24.9	Very low	189 Å²	189	153.8 Å²	153.8	82%	0.822	79%	0.785	S	S	*	*			trans	66.9	146.3	-173.9	-73.9	168.8	157	-100.9	0	114.7
181	E	23.2	Very low	25.1	Very low	147 Å²	147	154.1 Å²	154.1	69%	0.687	79%	0.787	S	S	*	*			cis	-131.9	-161.2	7.7	-144.3	120.4	-113.2	0	0	113.3
182	E	24.1	Very low	25.2	Very low	145 Å²	145	152.4 Å²	152.4	68%	0.678	78%	0.784	S	S	*	*			trans	-101.8	140.3	-150.5	-73.4	-161.5	118.1	0	0	115.2
183	K	24.4	Very low	24.9	Very low	174 Å²	174	154.9 Å²	154.9	76%	0.757	78%	0.782	S	S	*	*				79.3	146.6	68.9	-72.4	-172.8	-162.5	145.5	0	115.5
184	S	24.6	Very low	25	Very low	87 Å²	87	161.5 Å²	161.5	61%	0.608	79%	0.792	S	S	*	*			cis	-176.3	169.9	-13	55.3	0	0	0	0	114.6
185	K	24.7	Very low	25	Very low	201 Å²	201	157.5 Å²	157.5	87%	0.874	78%	0.783	S	S	*	*			trans	90.5	148.9	158.1	-65.3	179.5	-179.8	-178.9	0	118.2
186	A	24.5	Very low	25.1	Very low	90 Å²	90	151 Å²	151	74%	0.744	78%	0.778	S	S	*	*			cis	-163.6	134.1	-22.9	0	0	0	0	0	107.8
187	K	22.3	Very low	25.1	Very low	206 Å²	206	154.2 Å²	154.2	90%	0.896	79%	0.787	S	S	*	*				64	93.2	75.4	-96.6	-161.4	176.2	-169.5	0	118.2
188	A	24.8	Very low	25.1	Very low	99 Å²	99	149.4 Å²	149.4	82%	0.818	78%	0.778	S	S	*	*				58.4	152	129.1	0	0	0	0	0	123.9
189	K	29.9	Very low	25	Very low	199 Å²	199	141.9 Å²	141.9	87%	0.865	76%	0.764	S	S	*	*			trans	-61	160.4	176	-61.7	-177.7	176.5	-176.8	0	114.1
190	P	31.9	Very low	25.1	Very low	127 Å²	127	147.3 Å²	147.3	83%	0.825	77%	0.773	S	S	*	*				-137.6	-175.8	111.8	39	-28.1	0	0	0	114.7
191	Q	28.3	Very low	25.2	Very low	175 Å²	175	146.8 Å²	146.8	82%	0.818	77%	0.774	S	S	*	*			trans	-107.2	156.1	-176.8	-57.3	150.3	-82.1	0	0	112.4
192	N	24.4	Very low	25.3	Very low	144 Å²	144	147.6 Å²	147.6	77%	0.77	78%	0.777	S	S	*	*				172.1	145.6	121.2	-97.4	-48.4	0	0	0	116.4
193	K	24.3	Very low	25.4	Very low	179 Å²	179	147.1 Å²	147.1	78%	0.778	78%	0.779	S	S	*	*			trans	46.7	120.2	148.7	-59.5	178.9	178.3	-173.2	0	121.6
194	F	23.4	Very low	25.6	Very low	203 Å²	203	146 Å²	146	89%	0.89	78%	0.782	S	S	*	*				-169	-176.8	100.6	-125.8	-99	0	0	0	113.5
195	A	23.4	Very low	25.6	Very low	80 Å²	80	151 Å²	151	66%	0.661	80%	0.795	S	S	*	*			trans	-46.3	156.3	178.6	0	0	0	0	0	116.1
196	A	25.4	Very low	25.8	Very low	90 Å²	90	149.4 Å²	149.4	74%	0.744	79%	0.791	S	S	*	*			cis	94.6	138.8	26.7	0	0	0	0	0	115.3
197	L	25.6	Very low	26	Very low	157 Å²	157	149.8 Å²	149.8	82%	0.822	79%	0.785	S	S	*	*			trans	71.9	149.9	-172.5	-56.9	172.6	0	0	0	114.1
198	D	25.1	Very low	26.3	Very low	132 Å²	132	146 Å²	146	71%	0.706	78%	0.779	S	S	*	*			cis	-154.9	175.7	3.1	-120	-28.9	0	0	0	111.6
199	S	23.9	Very low	26.4	Very low	93 Å²	93	149 Å²	149	65%	0.65	78%	0.776	S	S	*	*			trans	40.6	118.5	157.4	60.1	0	0	0	0	120.6
200	E	25.2	Very low	26.3	Very low	177 Å²	177	146 Å²	146	83%	0.827	77%	0.765	S	S	*	*				85.2	141.7	68.1	-77.5	-179.3	156	0	0	115.4
201	E	25	Very low	26.1	Very low	177 Å²	177	148.1 Å²	148.1	83%	0.827	76%	0.761	S	S	*	*			trans	61.6	156.8	168.8	-66.9	171.6	-170.9	0	0	118.5
202	E	26.7	Very low	25.8	Very low	164 Å²	164	147.2 Å²	147.2	77%	0.766	76%	0.757	S	S	*	*			cis	-157	174.8	-45.4	-133.8	169.4	-162.9	0	0	109
203	D	24.9	Very low	27.3	Very low	135 Å²	135	144.2 Å²	144.2	72%	0.722	75%	0.745	S	S	*	*			trans	58.8	124.9	162.7	-63.2	-6.1	0	0	0	125.2
204	D	29.1	Very low	27.9	Very low	150 Å²	150	141.7 Å²	141.7	80%	0.802	75%	0.747	S	S	*	*			trans	25.2	134.5	134.8	-64.1	-13.4	0	0	0	124.4
205	E	25.7	Very low	28.3	Very low	192 Å²	192	139 Å²	139	90%	0.897	74%	0.735	S	S	*	*				-172.6	177.6	104.7	-111	-171.3	-173.9	0	0	115.2
206	E	28.2	Very low	29.5	Very low	168 Å²	168	141.7 Å²	141.7	79%	0.785	75%	0.746	S	S	*	*			trans	-77.5	-174.5	-169.7	-59.6	-164.2	145.4	0	0	117.2
207	T	27.6	Very low	29.6	Very low	99 Å²	99	141 Å²	141	61%	0.607	75%	0.748	S	S	*	*			cis	-163.3	161.6	-3.1	4	0	0	0	0	113.2
208	T	29.6	Very low	29.9	Very low	125 Å²	125	143.4 Å²	143.4	77%	0.767	75%	0.752	S	S	*	*			trans	63.2	166	150.5	51.2	0	0	0	0	121.9
209	E	26.1	Very low	30	Very low	162 Å²	162	144.2 Å²	144.2	76%	0.757	76%	0.756	S	S	*	*			cis	-141.2	149.3	18.7	-71.9	-176.3	136.5	0	0	116.3
210	E	29.1	Very low	30.2	Very low	137 Å²	137	149.4 Å²	149.4	64%	0.64	76%	0.761	S	S	*	*			trans	31.8	169.7	132.6	-49	-165.6	106.5	0	0	125.3
211	K	27.1	Very low	30.3	Very low	171 Å²	171	146.8 Å²	146.8	74%	0.743	75%	0.749	S	S	*	*			cis	-155.6	-171.5	10.5	-139.7	149	-169.1	148.5	0	114.6
212	E	23.2	Very low	30.3	Very low	157 Å²	157	147.1 Å²	147.1	73%	0.734	75%	0.748	S	S	*	*			trans	-103.1	-132	-159.1	-73.7	-160.7	96.1	0	0	121.1	K215	E212-K215 IonicContact OE1-NZ 2.85Å; E212-K215 PolarHBondContact OE1-NZ 2.98Å
213	P	54.7	Low	30.3	Very low	80 Å²	80	143.4 Å²	143.4	52%	0.519	75%	0.745	S	S	.	*				-130.9	-169.9	-106.5	43	-23.5	0	0	0	117	K215	P213-K215 HydrophobicContact CB-CD 4.14Å; P213-K215 VanDerWaalsContact CB-NZ 3.27Å
214	P	37	Very low	30.3	Very low	126 Å²	126	145.9 Å²	145.9	82%	0.818	75%	0.749	S	S	*	*				-154.4	-175.5	96.5	39.2	-17.8	0	0	0	117.5
215	K	31.3	Very low	30.2	Very low	146 Å²	146	144.9 Å²	144.9	64%	0.635	74%	0.744	S	S	*	*			trans	-151.3	166.5	-169.2	-49.7	98.7	177.8	-173.8	0	109.8	E212 P213	E212-K215 IonicContact OE1-NZ 2.85Å; E212-K215 PolarHBondContact OE1-NZ 2.98Å; P213-K215 HydrophobicContact CB-CD 4.14Å; P213-K215 VanDerWaalsContact CB-NZ 3.27Å
216	P	50.3	Low	30.2	Very low	137 Å²	137	139.8 Å²	139.8	89%	0.89	74%	0.735	S	S	*	*			cis	-139.7	-148.3	-5.5	46.2	-23.6	0	0	0	116.2
217	G	26.7	Very low	30.1	Very low	77 Å²	77	141 Å²	141	79%	0.794	74%	0.74	S	S	*	*			trans	-168.2	174.5	174.6	0	0	0	0	0	115.7
218	K	31.6	Very low	30	Very low	206 Å²	206	145.1 Å²	145.1	90%	0.896	75%	0.753	S	S	*	*			trans	-131.6	150.7	-169.9	-72.4	-175.8	177.8	178.2	0	117.5
219	D	27.5	Very low	29.8	Very low	149 Å²	149	142.3 Å²	142.3	80%	0.797	75%	0.749	S	S	*	*				-173.8	-165	115.7	-116.9	-38.2	0	0	0	114.7
220	R	27.8	Very low	29.6	Very low	202 Å²	202	144 Å²	144	76%	0.762	76%	0.756	S	S	*	*			trans	-98.2	-170.1	-155.6	-30.3	-179	-166.3	173.8	1.9	117.6
221	E	26.7	Very low	29.4	Very low	123 Å²	123	146.3 Å²	146.3	58%	0.575	77%	0.767	S	S	*	*			cis	-147.3	-137.2	3.2	-139.4	167.3	-118.6	0	0	110.4
222	K	25.4	Very low	29.4	Very low	184 Å²	184	147.6 Å²	147.6	80%	0.8	78%	0.776	S	S	*	*			cis	-149.3	-108.7	2.5	-151.6	165.2	-169.1	75.1	0	116.1
223	A	26.3	Very low	29.6	Very low	85 Å²	85	149.7 Å²	149.7	70%	0.702	79%	0.786	S	S	*	*			trans	-129.9	149	-165.6	0	0	0	0	0	113.1
224	K	26.4	Very low	28.2	Very low	187 Å²	187	149 Å²	149	81%	0.813	79%	0.793	S	S	*	*				74.4	133.7	56	-141.2	-179	-170.4	-71.9	0	111.6
225	N	26	Very low	27.7	Very low	129 Å²	129	152 Å²	152	69%	0.69	80%	0.796	S	S	*	*			cis	-135.4	-154.1	22.7	-158.1	60.8	0	0	0	114.3
226	A	26.9	Very low	27.5	Very low	85 Å²	85	154.1 Å²	154.1	70%	0.702	81%	0.808	S	S	*	*			trans	-155.6	-173.1	174.2	0	0	0	0	0	110.9
227	E	24.2	Very low	26.5	Very low	193 Å²	193	156.6 Å²	156.6	90%	0.902	81%	0.808	S	S	*	*			trans	-139.8	171.2	-178.3	-144.8	156.8	-132.5	0	0	113.1
228	Q	27	Very low	26.5	Very low	187 Å²	187	158.5 Å²	158.5	87%	0.874	80%	0.8	S	S	*	*			trans	-118.3	172.4	-163.1	-66.2	157.7	-103.3	0	0	112.4
229	G	24.9	Very low	26.3	Very low	66 Å²	66	152 Å²	152	68%	0.68	79%	0.791	S	S	*	*			cis	126.6	103.2	-8.3	0	0	0	0	0	114.8
230	E	22.7	Very low	26.3	Very low	196 Å²	196	155.9 Å²	155.9	92%	0.916	80%	0.795	S	S	*	*			trans	-145.6	167	168.3	-66.4	177	158	0	0	106.5
231	E	24.5	Very low	26.6	Very low	186 Å²	186	153 Å²	153	87%	0.869	80%	0.8	S	S	*	*				177.6	129.4	-54.4	-110.5	-174.5	-164.7	0	0	105
232	E	26.8	Very low	26.9	Very low	198 Å²	198	157 Å²	157	93%	0.925	82%	0.815	S	S	*	*			trans	-164.2	143.9	162	-121.2	172.8	-160.4	0	0	110.2
233	E	26.8	Very low	27.7	Very low	202 Å²	202	153.6 Å²	153.6	94%	0.944	81%	0.812	S	S	*	*			trans	-112.6	172.1	177.8	-56.9	-175.4	134.2	0	0	109
234	G	25.1	Very low	28.2	Very low	65 Å²	65	157 Å²	157	67%	0.67	82%	0.819	S	S	*	*			cis	179.9	-160.7	6.9	0	0	0	0	0	111
235	E	26.7	Very low	29	Very low	188 Å²	188	152.8 Å²	152.8	88%	0.879	81%	0.805	S	S	*	*			trans	68.4	119.5	175.4	-51.4	-175.3	173.2	0	0	115.8
236	E	26.4	Very low	30.1	Very low	192 Å²	192	152.1 Å²	152.1	90%	0.897	81%	0.807	S	S	*	*			cis	103	142.5	30	-74.8	-174.9	179.5	0	0	113.4
237	E	29.5	Very low	31.3	Very low	188 Å²	188	153.6 Å²	153.6	88%	0.879	80%	0.796	S	S	*	*			cis	-155.8	178	-32	-145.2	-162.2	-160.8	0	0	106.6
238	D	27.9	Very low	32.5	Very low	117 Å²	117	147.9 Å²	147.9	63%	0.626	78%	0.781	S	S	*	*			cis	-142.2	160.2	5.5	149.6	93.8	0	0	0	107.3	R240	D238-R240 PolarHBondContact OD1-N 3.3Å; D238-R240 PolarHBondContact OD2-N 2.9Å
239	G	26.8	Very low	33.4	Very low	69 Å²	69	146.6 Å²	146.6	71%	0.711	78%	0.781	S	S	*	*			cis	138.9	-105.4	3	0	0	0	0	0	112.2
240	R	27.6	Very low	34.8	Very low	232 Å²	232	146.6 Å²	146.6	88%	0.875	76%	0.764	S	S	*	*			trans	63.4	150.4	-169.4	-80.7	-176	177.3	177	0.4	117.4	D238	D238-R240 PolarHBondContact OD1-N 3.3Å; D238-R240 PolarHBondContact OD2-N 2.9Å
241	T	34	Very low	36.9	Very low	141 Å²	141	140.5 Å²	140.5	87%	0.865	74%	0.743	S	S	*	*			trans	-94.8	149.9	-158.1	45.6	0	0	0	0	116.3
242	K	33.8	Very low	38.7	Very low	206 Å²	206	140.7 Å²	140.7	90%	0.896	74%	0.741	S	S	*	*			trans	-140.7	146.8	157.7	-76.1	-170.6	178.1	178.7	0	110.4
243	P	40.6	Very low	40.4	Very low	114 Å²	114	139.8 Å²	139.8	74%	0.74	73%	0.734	S	S	*	*			trans	-91.6	164.8	-176.9	36.4	-35.8	0	0	0	114.2
244	N	37.9	Very low	42.1	Very low	157 Å²	157	135 Å²	135	84%	0.84	71%	0.712	S	S	*	*			trans	58.6	74.9	165.4	-64.8	-2.9	0	0	0	117.2	P246	N244-P246 WeakPolarHBondContact O-CD 3.19Å
245	D	43.3	Very low	43.9	Very low	98 Å²	98	135.6 Å²	135.6	52%	0.524	70%	0.696	S	S	.	*			trans	-71.2	116.8	157.4	173	21.3	0	0	0	110.2	Y247 A248	D245-Y247 PolarHBondContact O-N 3.27Å; D245-Y247 VanDerWaalsContact O-N 3.13Å; D245-Y247 WeakPolarHBondContact OD1-CB 3.33Å; D245-Y247 WeakPolarHBondContact OD1-CD2 3.47Å; D245-Y247 PolarHBondContact OD1-N 2.83Å; D245-A248 PolarHBondContact O-N 2.84Å
246	P	49.5	Very low	46	Very low	114 Å²	114	134 Å²	134	74%	0.74	69%	0.687	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.4	-9.6	179.5	28.6	-35.2	0	0	0	113.7	N244	N244-P246 WeakPolarHBondContact O-CD 3.19Å
247	Y	51.7	Low	48.1	Very low	117 Å²	117	132 Å²	132	46%	0.459	68%	0.675	S	S	.	*	T	Hydrogen-bonded Turn	trans	-91.3	12.8	-179.3	-62.8	-77.2	0	0	0	114.5	D245 N249 L250 K255	D245-Y247 PolarHBondContact O-N 3.27Å; D245-Y247 VanDerWaalsContact O-N 3.13Å; D245-Y247 WeakPolarHBondContact OD1-CB 3.33Å; D245-Y247 WeakPolarHBondContact OD1-CD2 3.47Å; D245-Y247 PolarHBondContact OD1-N 2.83Å; Y247-N249 PolarHBondContact O-N 2.87Å; Y247-L250 HydrophobicContact CD1-CD1 4.41Å; Y247-L250 PolarHBondContact O-N 3.12Å; Y247-K255 WeakPolarHBondContact O-CE 3.24Å; Y247-K255 PolarHBondContact O-NZ 2.86Å
248	A	48.2	Very low	49.9	Very low	72 Å²	72	126.6 Å²	126.6	60%	0.595	65%	0.651	S	S	*	*	T	Hydrogen-bonded Turn	trans	-48.2	-39.5	-175.3	0	0	0	0	0	114.9	D245	D245-A248 PolarHBondContact O-N 2.84Å
249	N	47.5	Very low	51.9	Low	161 Å²	161	127.1 Å²	127.1	86%	0.861	65%	0.648	S	S	*	*	T	Hydrogen-bonded Turn	trans	-106.4	22.7	-167.6	-69.1	-18.8	0	0	0	116.2	Y247	Y247-N249 PolarHBondContact O-N 2.87Å
250	L	53.2	Low	54	Low	65 Å²	65	131.1 Å²	131.1	34%	0.34	65%	0.646	S	S	.	*	S	Bend	trans	-100.5	141.4	171.7	-78	85.5	0	0	0	112.5	Y247 E254 K255	Y247-L250 HydrophobicContact CD1-CD1 4.41Å; Y247-L250 PolarHBondContact O-N 3.12Å; L250-E254 HydrophobicContact CD2-CB 4.42Å; L250-K255 HydrophobicContact CB-CG 4Å; L250-K255 WeakPolarHBondContact O-CE 3.32Å
251	S	66.9	Low	55.7	Low	68 Å²	68	124.7 Å²	124.7	48%	0.476	63%	0.626	S	S	.	*			trans	-63	147.9	-179.3	-177.4	0	0	0	0	112	K253 E254 K255	S251-K253 PolarHBondContact O-N 3.38Å; S251-E254 WeakPolarHBondContact CB-OE2 3.47Å; S251-E254 PolarHBondContact N-OE2 2.93Å; S251-E254 WeakPolarHBondContact O-CA 3.35Å; S251-E254 WeakPolarHBondContact O-CB 3.32Å; S251-E254 PolarHBondContact O-N 3.42Å; S251-K255 PolarHBondContact O-N 3.29Å
252	K	63	Low	56.9	Low	190 Å²	190	123.2 Å²	123.2	83%	0.826	61%	0.61	S	S	*	*	H	α-helix	trans	-51.9	-31.7	176.2	-68.8	-171.9	177.7	-175.2	0	112.5	K256	K252-K256 WeakPolarHBondContact O-CB 3.28Å; K252-K256 PolarHBondContact O-N 3.26Å; K252-K256 VanDerWaalsContact O-N 3.09Å
253	K	62	Low	58.4	Low	179 Å²	179	116.8 Å²	116.8	78%	0.778	59%	0.586	S	S	*	*	H	α-helix	trans	-74.3	-33.4	177.6	-163.5	174	-175.4	179.2	0	113	S251 K257	S251-K253 PolarHBondContact O-N 3.38Å; K253-K257 PolarHBondContact O-N 3.28Å
254	E	62.4	Low	59.7	Low	103 Å²	103	118.5 Å²	118.5	48%	0.481	58%	0.579	S	S	.	*	H	α-helix	trans	-77.3	-45.5	176.8	-65.2	163.1	148.4	0	0	110.3	L250 S251 K256 K257 L258	L250-E254 HydrophobicContact CD2-CB 4.42Å; S251-E254 WeakPolarHBondContact CB-OE2 3.47Å; S251-E254 PolarHBondContact N-OE2 2.93Å; S251-E254 WeakPolarHBondContact O-CA 3.35Å; S251-E254 WeakPolarHBondContact O-CB 3.32Å; S251-E254 PolarHBondContact O-N 3.42Å; E254-K256 VanDerWaalsContact C-N 3.28Å; E254-K256 PolarHBondContact O-N 3.18Å; E254-K257 CarbonylContact O-C 3.48Å; E254-K257 WeakPolarHBondContact O-CA 3.23Å; E254-K257 PolarHBondContact O-N 3.3Å; E254-L258 PolarHBondContact O-N 2.94Å
255	K	63.8	Low	60.5	Low	77 Å²	77	115.5 Å²	115.5	34%	0.335	56%	0.56	S	S	.	*	H	α-helix	trans	-55.4	-41.6	171.6	-67.1	-164.8	179.6	-164.1	0	112	Y247 L250 S251 K257 K259	Y247-K255 WeakPolarHBondContact O-CE 3.24Å; Y247-K255 PolarHBondContact O-NZ 2.86Å; L250-K255 HydrophobicContact CB-CG 4Å; L250-K255 WeakPolarHBondContact O-CE 3.32Å; S251-K255 PolarHBondContact O-N 3.29Å; K255-K257 VanDerWaalsContact C-N 3.32Å; K255-K257 PolarHBondContact O-N 3.17Å; K255-K259 VanDerWaalsContact O-CB 3.25Å; K255-K259 WeakPolarHBondContact O-CB 3.45Å; K255-K259 PolarHBondContact O-N 3.13Å
256	K	69.9	Low	61.5	Low	155 Å²	155	119.6 Å²	119.6	67%	0.674	57%	0.568	S	S	*	*	H	α-helix	trans	-68.7	-27.3	175	-168.7	165.7	-175	169.7	0	113.2	K252 E254 K260	K252-K256 WeakPolarHBondContact O-CB 3.28Å; K252-K256 PolarHBondContact O-N 3.26Å; K252-K256 VanDerWaalsContact O-N 3.09Å; E254-K256 VanDerWaalsContact C-N 3.28Å; E254-K256 PolarHBondContact O-N 3.18Å; K256-K260 PolarHBondContact O-N 3.38Å
257	K	71.4	Confident	61.9	Low	150 Å²	150	120.1 Å²	120.1	65%	0.652	56%	0.56	S	S	*	*	H	α-helix	trans	-79	-47.5	175.7	-159.6	-177.1	-178.4	-166.3	0	111.5	K253 E254 K255 K259 K260 Q261	K253-K257 PolarHBondContact O-N 3.28Å; E254-K257 CarbonylContact O-C 3.48Å; E254-K257 WeakPolarHBondContact O-CA 3.23Å; E254-K257 PolarHBondContact O-N 3.3Å; K255-K257 VanDerWaalsContact C-N 3.32Å; K255-K257 PolarHBondContact O-N 3.17Å; K257-K259 VanDerWaalsContact C-N 3.33Å; K257-K259 PolarHBondContact O-N 2.86Å; K257-K260 PolarHBondContact O-N 3.44Å; K257-Q261 WeakPolarHBondContact O-CB 3.24Å; K257-Q261 PolarHBondContact O-N 2.87Å
258	L	65.6	Low	62.5	Low	73 Å²	73	116.9 Å²	116.9	38%	0.382	55%	0.553	S	S	.	*	H	α-helix	trans	-59.1	-42.4	171.7	-102.3	75	0	0	0	111.4	E254 Q261 M262	E254-L258 PolarHBondContact O-N 2.94Å; L258-Q261 PolarHBondContact O-N 2.93Å; L258-Q261 VanDerWaalsContact O-N 3.12Å; L258-M262 PolarHBondContact O-N 2.97Å
259	K	71.2	Confident	62.7	Low	128 Å²	128	119.8 Å²	119.8	56%	0.557	55%	0.554	S	S	*	*	H	α-helix	trans	-61	-48.9	175.6	179.3	163.8	-178.3	177.8	0	111.4	K255 K257 Q261 M262 D263	K255-K259 VanDerWaalsContact O-CB 3.25Å; K255-K259 WeakPolarHBondContact O-CB 3.45Å; K255-K259 PolarHBondContact O-N 3.13Å; K257-K259 VanDerWaalsContact C-N 3.33Å; K257-K259 PolarHBondContact O-N 2.86Å; K259-Q261 PolarHBondContact O-N 2.67Å; K259-M262 PolarHBondContact O-N 3.35Å; K259-D263 WeakPolarHBondContact CE-OD2 3.45Å; K259-D263 VanDerWaalsContact CG-OD2 3.25Å; K259-D263 WeakPolarHBondContact CG-OD2 3.4Å; K259-D263 VanDerWaalsContact O-CB 3.3Å; K259-D263 WeakPolarHBondContact O-CB 3.4Å; K259-D263 PolarHBondContact O-N 2.89Å
260	K	71.4	Confident	63.1	Low	153 Å²	153	115.3 Å²	115.3	67%	0.665	54%	0.535	S	S	*	.	H	α-helix	trans	-58.8	-32	173.1	-87	-155.2	168.1	-153.4	0	113.6	K256 K257 Y264	K256-K260 PolarHBondContact O-N 3.38Å; K257-K260 PolarHBondContact O-N 3.44Å; K260-Y264 VanDerWaalsContact O-CB 3.3Å; K260-Y264 WeakPolarHBondContact O-CB 3.48Å; K260-Y264 PolarHBondContact O-N 2.77Å; K260-Y264 VanDerWaalsContact O-N 3.08Å
261	Q	62.9	Low	63.2	Low	98 Å²	98	117.3 Å²	117.3	46%	0.458	55%	0.546	S	S	.	.	H	α-helix	trans	-75.4	-44	-180	-167.7	166.1	-18.3	0	0	111.5	K257 L258 K259 Y264 E265	K257-Q261 WeakPolarHBondContact O-CB 3.24Å; K257-Q261 PolarHBondContact O-N 2.87Å; L258-Q261 PolarHBondContact O-N 2.93Å; L258-Q261 VanDerWaalsContact O-N 3.12Å; K259-Q261 PolarHBondContact O-N 2.67Å; Q261-Y264 PolarHBondContact O-N 3.29Å; Q261-E265 WeakPolarHBondContact O-CB 3.37Å; Q261-E265 WeakPolarHBondContact O-CG 3.38Å; Q261-E265 PolarHBondContact O-N 3.11Å
262	M	59.7	Low	62.2	Low	109 Å²	109	120.9 Å²	120.9	54%	0.537	55%	0.553	S	S	.	*	H	α-helix	trans	-67.7	-37.1	171.2	-70.2	-161.5	-54.6	0	0	112.6	L258 K259 Y264 E265 R266	L258-M262 PolarHBondContact O-N 2.97Å; K259-M262 PolarHBondContact O-N 3.35Å; M262-Y264 VanDerWaalsContact C-N 3.28Å; M262-Y264 PolarHBondContact O-N 2.62Å; M262-E265 PolarHBondContact O-N 3.13Å; M262-R266 WeakPolarHBondContact O-CB 3.05Å; M262-R266 PolarHBondContact O-N 3.03Å
263	D	63.5	Low	61.5	Low	71 Å²	71	114.8 Å²	114.8	38%	0.38	54%	0.538	S	S	.	.	H	α-helix	trans	-63.1	-38	175.1	-68	-26.9	0	0	0	110.1	K259 Q267	K259-D263 WeakPolarHBondContact CE-OD2 3.45Å; K259-D263 VanDerWaalsContact CG-OD2 3.25Å; K259-D263 WeakPolarHBondContact CG-OD2 3.4Å; K259-D263 VanDerWaalsContact O-CB 3.3Å; K259-D263 WeakPolarHBondContact O-CB 3.4Å; K259-D263 PolarHBondContact O-N 2.89Å; D263-Q267 WeakPolarHBondContact O-CG 3.33Å; D263-Q267 PolarHBondContact O-N 3.44Å
264	Y	68.8	Low	60.9	Low	151 Å²	151	109.4 Å²	109.4	59%	0.592	53%	0.527	S	S	*	.	H	α-helix	trans	-71.3	-45	173.5	179	-96.9	0	0	0	112.9	K260 Q261 M262 R266 Q267 V268	K260-Y264 VanDerWaalsContact O-CB 3.3Å; K260-Y264 WeakPolarHBondContact O-CB 3.48Å; K260-Y264 PolarHBondContact O-N 2.77Å; K260-Y264 VanDerWaalsContact O-N 3.08Å; Q261-Y264 PolarHBondContact O-N 3.29Å; M262-Y264 VanDerWaalsContact C-N 3.28Å; M262-Y264 PolarHBondContact O-N 2.62Å; Y264-R266 VanDerWaalsContact C-N 3.26Å; Y264-R266 PolarHBondContact O-N 2.97Å; Y264-Q267 WeakPolarHBondContact O-CB 3.41Å; Y264-Q267 PolarHBondContact O-N 3.39Å; Y264-V268 HydrophobicContact CD1-CG2 4.34Å; Y264-V268 HydrophobicContact CE1-CG2 3.98Å; Y264-V268 WeakPolarHBondContact O-CG2 3.38Å; Y264-V268 PolarHBondContact O-N 3.11Å
265	E	55.8	Low	60	Low	94 Å²	94	108.9 Å²	108.9	44%	0.439	53%	0.527	S	S	.	.	H	α-helix	trans	-60.7	-38	174.6	-75.6	162.7	171.3	0	0	110.7	Q261 M262 V268 E269	Q261-E265 WeakPolarHBondContact O-CB 3.37Å; Q261-E265 WeakPolarHBondContact O-CG 3.38Å; Q261-E265 PolarHBondContact O-N 3.11Å; M262-E265 PolarHBondContact O-N 3.13Å; E265-V268 CarbonylContact O-C 3.59Å; E265-V268 PolarHBondContact O-N 2.91Å; E265-E269 WeakPolarHBondContact O-CB 3.18Å; E265-E269 WeakPolarHBondContact O-CG 3.26Å; E265-E269 PolarHBondContact O-N 3.04Å
266	R	63	Low	58.9	Low	184 Å²	184	109.4 Å²	109.4	69%	0.694	55%	0.546	S	S	*	.	H	α-helix	trans	-71.2	-33	175.2	-163.1	178.6	-157.4	-177.1	5.1	113.1	M262 Y264 S270	M262-R266 WeakPolarHBondContact O-CB 3.05Å; M262-R266 PolarHBondContact O-N 3.03Å; Y264-R266 VanDerWaalsContact C-N 3.26Å; Y264-R266 PolarHBondContact O-N 2.97Å; R266-S270 WeakPolarHBondContact O-CB 3.36Å; R266-S270 PolarHBondContact O-N 3.44Å; R266-S270 PolarHBondContact O-OG 2.66Å
267	Q	59.3	Low	57.6	Low	124 Å²	124	105.8 Å²	105.8	58%	0.579	55%	0.545	S	S	*	.	H	α-helix	trans	-63.3	-47.3	166.5	-81.1	-174.3	-57.1	0	0	110.8	D263 Y264 E269 S270 L271	D263-Q267 WeakPolarHBondContact O-CG 3.33Å; D263-Q267 PolarHBondContact O-N 3.44Å; Y264-Q267 WeakPolarHBondContact O-CB 3.41Å; Y264-Q267 PolarHBondContact O-N 3.39Å; Q267-E269 VanDerWaalsContact C-N 3.32Å; Q267-E269 PolarHBondContact O-N 3.29Å; Q267-S270 WeakPolarHBondContact CA-OG 3.36Å; Q267-S270 PolarHBondContact O-N 2.95Å; Q267-S270 VanDerWaalsContact O-N 3.16Å; Q267-S270 PolarHBondContact O-OG 3.32Å; Q267-L271 WeakPolarHBondContact O-CB 3.5Å; Q267-L271 WeakPolarHBondContact O-CG 3.48Å; Q267-L271 PolarHBondContact O-N 2.93Å
268	V	62.8	Low	56.4	Low	50 Å²	50	104.6 Å²	104.6	30%	0.303	54%	0.541	S	S	.	.	H	α-helix	trans	-62.1	-37	176.5	171.3	0	0	0	0	111.8	Y264 E265 K272	Y264-V268 HydrophobicContact CD1-CG2 4.34Å; Y264-V268 HydrophobicContact CE1-CG2 3.98Å; Y264-V268 WeakPolarHBondContact O-CG2 3.38Å; Y264-V268 PolarHBondContact O-N 3.11Å; E265-V268 CarbonylContact O-C 3.59Å; E265-V268 PolarHBondContact O-N 2.91Å; V268-K272 HydrophobicContact CG1-CD 4.42Å; V268-K272 WeakPolarHBondContact O-CB 3.48Å; V268-K272 VanDerWaalsContact O-CG 3.31Å; V268-K272 WeakPolarHBondContact O-CG 3.21Å; V268-K272 PolarHBondContact O-N 3.21Å
269	E	52.8	Low	55.6	Low	132 Å²	132	106.4 Å²	106.4	62%	0.617	55%	0.552	S	S	*	*	H	α-helix	trans	-69.5	-39.2	172.6	-76.4	-174	150.6	0	0	112.2	E265 Q267 K272 A273	E265-E269 WeakPolarHBondContact O-CB 3.18Å; E265-E269 WeakPolarHBondContact O-CG 3.26Å; E265-E269 PolarHBondContact O-N 3.04Å; Q267-E269 VanDerWaalsContact C-N 3.32Å; Q267-E269 PolarHBondContact O-N 3.29Å; E269-K272 PolarHBondContact O-N 3.36Å; E269-A273 VanDerWaalsContact O-CB 3.28Å; E269-A273 WeakPolarHBondContact O-CB 3.39Å; E269-A273 PolarHBondContact O-N 3.1Å
270	S	56.4	Low	54.8	Low	68 Å²	68	106.4 Å²	106.4	48%	0.476	56%	0.558	S	S	.	*	H	α-helix	trans	-65.9	-38.4	174.9	71	0	0	0	0	112.3	R266 Q267 A273 A274	R266-S270 WeakPolarHBondContact O-CB 3.36Å; R266-S270 PolarHBondContact O-N 3.44Å; R266-S270 PolarHBondContact O-OG 2.66Å; Q267-S270 WeakPolarHBondContact CA-OG 3.36Å; Q267-S270 PolarHBondContact O-N 2.95Å; Q267-S270 VanDerWaalsContact O-N 3.16Å; Q267-S270 PolarHBondContact O-OG 3.32Å; S270-A273 PolarHBondContact O-N 3.37Å; S270-A274 WeakPolarHBondContact O-CB 3.41Å; S270-A274 PolarHBondContact O-N 2.89Å
271	L	54.2	Low	54.1	Low	107 Å²	107	101.6 Å²	101.6	56%	0.56	54%	0.537	S	S	*	.	H	α-helix	trans	-66.2	-42	172.5	-73.5	165.3	0	0	0	111.3	Q267 N275	Q267-L271 WeakPolarHBondContact O-CB 3.5Å; Q267-L271 WeakPolarHBondContact O-CG 3.48Å; Q267-L271 PolarHBondContact O-N 2.93Å; L271-N275 WeakPolarHBondContact O-CB 3.48Å; L271-N275 VanDerWaalsContact O-CG 3.22Å; L271-N275 PolarHBondContact O-N 3.03Å; L271-N275 PolarHBondContact O-ND2 2.79Å; L271-N275 VanDerWaalsContact O-ND2 3.13Å
272	K	47.2	Very low	54.5	Low	142 Å²	142	100.3 Å²	100.3	62%	0.617	54%	0.539	S	S	*	.	H	α-helix	trans	-63.6	-40	172.6	-80.4	178.6	175.6	-177.2	0	112.5	V268 E269 N275 A276	V268-K272 HydrophobicContact CG1-CD 4.42Å; V268-K272 WeakPolarHBondContact O-CB 3.48Å; V268-K272 VanDerWaalsContact O-CG 3.31Å; V268-K272 WeakPolarHBondContact O-CG 3.21Å; V268-K272 PolarHBondContact O-N 3.21Å; E269-K272 PolarHBondContact O-N 3.36Å; K272-N275 PolarHBondContact O-N 2.95Å; K272-A276 WeakPolarHBondContact O-CB 3.35Å; K272-A276 PolarHBondContact O-N 2.82Å
273	A	47.7	Very low	55	Low	63 Å²	63	97.8 Å²	97.8	52%	0.521	53%	0.53	S	S	.	.	H	α-helix	trans	-68.9	-39	179.1	0	0	0	0	0	111.8	E269 S270 A276 A277	E269-A273 VanDerWaalsContact O-CB 3.28Å; E269-A273 WeakPolarHBondContact O-CB 3.39Å; E269-A273 PolarHBondContact O-N 3.1Å; S270-A273 PolarHBondContact O-N 3.37Å; A273-A276 PolarHBondContact O-N 3.31Å; A273-A277 PolarHBondContact O-N 3.16Å
274	A	48.6	Very low	55.3	Low	65 Å²	65	97.9 Å²	97.9	54%	0.537	54%	0.536	S	S	.	.	H	α-helix	trans	-62.2	-47.9	171.9	0	0	0	0	0	111.6	S270 A276 A277	S270-A274 WeakPolarHBondContact O-CB 3.41Å; S270-A274 PolarHBondContact O-N 2.89Å; A274-A276 VanDerWaalsContact C-N 3.34Å; A274-A276 PolarHBondContact O-N 2.91Å; A274-A277 PolarHBondContact O-N 2.83Å
275	N	43.9	Very low	55	Low	93 Å²	93	93.7 Å²	93.7	50%	0.497	52%	0.522	S	S	.	.	H	α-helix	trans	-68.8	-29.7	177.8	-66	-27.5	0	0	0	113.1	L271 K272 A277	L271-N275 WeakPolarHBondContact O-CB 3.48Å; L271-N275 VanDerWaalsContact O-CG 3.22Å; L271-N275 PolarHBondContact O-N 3.03Å; L271-N275 PolarHBondContact O-ND2 2.79Å; L271-N275 VanDerWaalsContact O-ND2 3.13Å; K272-N275 PolarHBondContact O-N 2.95Å; N275-A277 VanDerWaalsContact C-N 3.29Å; N275-A277 PolarHBondContact O-N 3.28Å
276	A	40.6	Very low	55	Low	87 Å²	87	92.7 Å²	92.7	72%	0.719	53%	0.529	S	S	*	.	H	α-helix	trans	-76.7	-13.2	177.1	0	0	0	0	0	113.6	K272 A273 A274	K272-A276 WeakPolarHBondContact O-CB 3.35Å; K272-A276 PolarHBondContact O-N 2.82Å; A273-A276 PolarHBondContact O-N 3.31Å; A274-A276 VanDerWaalsContact C-N 3.34Å; A274-A276 PolarHBondContact O-N 2.91Å
277	A	43.2	Very low	54.1	Low	80 Å²	80	93.2 Å²	93.2	66%	0.661	54%	0.539	S	S	*	.	H	α-helix	trans	-80.1	-39.5	176	0	0	0	0	0	112.4	A273 A274 N275	A273-A277 PolarHBondContact O-N 3.16Å; A274-A277 PolarHBondContact O-N 2.83Å; N275-A277 VanDerWaalsContact C-N 3.29Å; N275-A277 PolarHBondContact O-N 3.28Å
278	E	47.1	Very low	53.8	Low	124 Å²	124	90.8 Å²	90.8	58%	0.579	53%	0.533	S	S	*	.	S	Bend	trans	-142.1	91.4	-178.4	-69	-163.9	161.4	0	0	114.5	N348	E278-N348 PolarHBondContact OE2-ND2 3.21Å
279	N	48.2	Very low	53.1	Low	111 Å²	111	93.7 Å²	93.7	59%	0.594	56%	0.556	S	S	*	*			trans	72.7	158.1	156.4	-52.7	-79.6	0	0	0	119.5	F281	N279-F281 HydrophobicContact CB-CD2 3.59Å; N279-F281 HydrophobicContact CB-CE2 3.48Å; N279-F281 VanDerWaalsContact CB-CE2 3.48Å; N279-F281 PolarHBondContact O-N 3.02Å
280	D	53.5	Low	53.1	Low	129 Å²	129	91.7 Å²	91.7	69%	0.69	56%	0.556	S	S	*	*	S	Bend	trans	-71.3	60.2	-178.1	-62.7	-52.4	0	0	0	114.8	H311	D280-H311 PolarHBondContact O-N 3.11Å
281	F	57.8	Low	53.1	Low	52 Å²	52	92.6 Å²	92.6	23%	0.228	55%	0.549	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	148.6	174.3	-63	-78.5	0	0	0	111.7	N279 S309 A310 T341 H345	N279-F281 HydrophobicContact CB-CD2 3.59Å; N279-F281 HydrophobicContact CB-CE2 3.48Å; N279-F281 VanDerWaalsContact CB-CE2 3.48Å; N279-F281 PolarHBondContact O-N 3.02Å; F281-S309 WeakPolarHBondContact CA-O 3.44Å; F281-A310 HydrophobicContact CD1-CB 3.5Å; F281-A310 VanDerWaalsContact CD1-CB 3.5Å; F281-A310 HydrophobicContact CE1-CB 3.37Å; F281-T341 HydrophobicContact CD1-CG2 4.13Å; F281-T341 HydrophobicContact CE1-CG2 3.58Å; F281-T341 HydrophobicContact CZ-CG2 4.4Å; F281-H345 AromaticContact CD1-CE1 3.57Å; F281-H345 AromaticContact CD1-NE2 3.99Å; F281-H345 AromaticContact CG-CE1 3.77Å; F281-H345 AromaticContact CG-NE2 3.96Å
282	S	70.6	Confident	53	Low	71 Å²	71	94.2 Å²	94.2	50%	0.497	55%	0.554	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-134.3	126.7	166.7	55.2	0	0	0	0	110	S309	S282-S309 PolarHBondContact N-O 2.77Å; S282-S309 PolarHBondContact O-N 3.1Å
283	V	71.4	Confident	53.2	Low	56 Å²	56	90.9 Å²	90.9	34%	0.339	55%	0.553	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-110.4	135.1	178.4	-174.7	0	0	0	0	107.7	Q285 H345 L351	V283-Q285 HydrophobicContact CG1-CG 4.1Å; V283-H345 VanDerWaalsContact CG2-CD2 3.44Å; V283-H345 WeakPolarHBondContact CG2-CD2 3.42Å; V283-L351 HydrophobicContact CG1-CD2 4.07Å
284	S	69.5	Low	53.5	Low	73 Å²	73	95 Å²	95	51%	0.51	56%	0.563	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-124.6	129.7	166.6	58.8	0	0	0	0	110.3	S307	S284-S307 PolarHBondContact N-O 3.3Å; S284-S307 PolarHBondContact O-N 3.42Å
285	Q	62.6	Low	54	Low	63 Å²	63	93.2 Å²	93.2	29%	0.294	54%	0.544	S	S	.	.			trans	-127.1	143.6	173.5	-56.7	-157.4	-21	0	0	108.4	V283 E287 F306	V283-Q285 HydrophobicContact CG1-CG 4.1Å; Q285-E287 PolarHBondContact O-N 2.89Å; Q285-F306 HydrophobicContact CG-CB 4.35Å
286	A	53.9	Low	54.6	Low	73 Å²	73	94.7 Å²	94.7	60%	0.603	55%	0.548	S	S	*	.			trans	-77.1	104.2	171.2	0	0	0	0	0	109.1	V288	A286-V288 PolarHBondContact O-N 3.1Å
287	E	45.4	Very low	55.5	Low	194 Å²	194	97.5 Å²	97.5	91%	0.907	55%	0.551	S	S	*	*			trans	-64.4	92	176.6	-72.2	-169.7	160.3	0	0	111.5	Q285 S289	Q285-E287 PolarHBondContact O-N 2.89Å; E287-S289 PolarHBondContact O-N 3.2Å
288	V	52.7	Low	56.5	Low	73 Å²	73	95 Å²	95	44%	0.442	53%	0.53	S	S	.	.			trans	-88.5	89.6	167.2	-175.6	0	0	0	0	107.6	A286 S290 R291	A286-V288 PolarHBondContact O-N 3.1Å; V288-S290 PolarHBondContact O-N 3.38Å; V288-R291 HydrophobicContact CB-CG 4.36Å; V288-R291 HydrophobicContact CG1-CG 4.42Å; V288-R291 PolarHBondContact O-N 3.03Å
289	S	47.5	Very low	58	Low	112 Å²	112	92.6 Å²	92.6	78%	0.783	53%	0.527	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.3	-12.9	-171.3	-176.5	0	0	0	0	116.3	E287	E287-S289 PolarHBondContact O-N 3.2Å
290	S	53.6	Low	59.9	Low	89 Å²	89	90 Å²	90	62%	0.622	51%	0.514	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.2	-12.5	174.2	54	0	0	0	0	114.7	V288	V288-S290 PolarHBondContact O-N 3.38Å
291	R	55.2	Low	61.5	Low	87 Å²	87	84.2 Å²	84.2	33%	0.328	48%	0.482	S	S	.	.	S	Bend	trans	-73	-26.6	-177.4	-79.5	-170.5	163.5	159.9	1.8	114.3	V288 A293 M294 L295 E304	V288-R291 HydrophobicContact CB-CG 4.36Å; V288-R291 HydrophobicContact CG1-CG 4.42Å; V288-R291 PolarHBondContact O-N 3.03Å; R291-A293 PolarHBondContact O-N 2.85Å; R291-M294 WeakPolarHBondContact O-CA 3.49Å; R291-M294 WeakPolarHBondContact O-CB 3.21Å; R291-M294 PolarHBondContact O-N 3.43Å; R291-L295 WeakPolarHBondContact O-CG 3.33Å; R291-L295 PolarHBondContact O-N 2.89Å; R291-E304 IonicContact CZ-OE2 2.93Å; R291-E304 IonicContact NH1-OE2 3.37Å; R291-E304 PolarHBondContact NH1-OE2 2.86Å; R291-E304 IonicContact NH2-OE1 3.54Å; R291-E304 IonicContact NH2-OE2 2.66Å; R291-E304 PolarHBondContact NH2-OE2 3.33Å
292	Q	53.7	Low	63	Low	141 Å²	141	87.4 Å²	87.4	66%	0.659	50%	0.496	S	S	*	.	H	α-helix	trans	-64.2	-40.6	-166.3	-143.2	152.6	1.2	0	0	112.9	M294 L295	Q292-M294 VanDerWaalsContact C-N 3.32Å; Q292-M294 PolarHBondContact O-N 3.41Å; Q292-L295 PolarHBondContact O-N 3.33Å
293	A	50.1	Low	63.8	Low	72 Å²	72	84.7 Å²	84.7	60%	0.595	48%	0.476	S	S	*	.	H	α-helix	trans	-74.1	-15.5	173.4	0	0	0	0	0	114.5	R291	R291-A293 PolarHBondContact O-N 2.85Å
294	M	54.2	Low	64.5	Low	149 Å²	149	84.6 Å²	84.6	73%	0.734	47%	0.472	S	S	*	.	H	α-helix	trans	-84.4	-27.4	171.8	-74.5	-173.2	163.9	0	0	112.4	R291 Q292	R291-M294 WeakPolarHBondContact O-CA 3.49Å; R291-M294 WeakPolarHBondContact O-CB 3.21Å; R291-M294 PolarHBondContact O-N 3.43Å; Q292-M294 VanDerWaalsContact C-N 3.32Å; Q292-M294 PolarHBondContact O-N 3.41Å
295	L	59.5	Low	65.4	Low	28 Å²	28	85.6 Å²	85.6	15%	0.147	47%	0.467	C	S	.	.	H	α-helix	trans	-67.3	-35.5	179.5	-70.3	166.4	0	0	0	111.9	R291 Q292 N297 A298 P354	R291-L295 WeakPolarHBondContact O-CG 3.33Å; R291-L295 PolarHBondContact O-N 2.89Å; Q292-L295 PolarHBondContact O-N 3.33Å; L295-N297 PolarHBondContact O-N 2.73Å; L295-N297 VanDerWaalsContact O-N 3.13Å; L295-A298 PolarHBondContact O-N 3.4Å; L295-A298 VanDerWaalsContact O-N 3.11Å; L295-P354 HydrophobicContact CB-CG 4.39Å; L295-P354 HydrophobicContact CD2-CG 3.82Å; L295-P354 WeakPolarHBondContact O-CB 3.31Å
296	E	57.1	Low	66.7	Low	125 Å²	125	82.6 Å²	82.6	58%	0.584	45%	0.453	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-27.7	-176.1	-63	-177.3	152.3	0	0	114.4
297	N	58.4	Low	68.4	Low	146 Å²	146	80 Å²	80	78%	0.781	43%	0.431	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.7	2.8	-179.7	-68.6	-72.2	0	0	0	113.7	L295	L295-N297 PolarHBondContact O-N 2.73Å; L295-N297 VanDerWaalsContact O-N 3.13Å
298	A	65.8	Low	70.5	Confident	27 Å²	27	70.8 Å²	70.8	22%	0.223	39%	0.388	C	S	.	.			trans	-85.5	128.8	-176.5	0	0	0	0	0	111.7	L295 D300 P354 N356	L295-A298 PolarHBondContact O-N 3.4Å; L295-A298 VanDerWaalsContact O-N 3.11Å; A298-D300 VanDerWaalsContact C-N 3.34Å; A298-P354 HydrophobicContact CB-CG 4.39Å; A298-N356 PolarHBondContact O-ND2 3.3Å
299	S	77.6	Confident	72.1	Confident	73 Å²	73	68.9 Å²	68.9	51%	0.51	38%	0.377	S	S	.	.	S	Bend	trans	-76.8	-25.9	164.7	58.6	0	0	0	0	112.6	I357	S299-I357 WeakPolarHBondContact O-CD1 3.42Å
300	D	87.8	Confident	73.7	Confident	58 Å²	58	63.8 Å²	63.8	31%	0.31	34%	0.342	S	S	.	.	S	Bend	trans	-107.2	137.9	-168.7	-66	0.2	0	0	0	110.3	A298 K302 I323 A325	A298-D300 VanDerWaalsContact C-N 3.34Å; D300-K302 PolarHBondContact O-N 2.8Å; D300-I323 CarbonylContact C-O 3.58Å; D300-I323 WeakPolarHBondContact CA-O 3.42Å; D300-A325 WeakPolarHBondContact OD1-CB 3.44Å; D300-A325 PolarHBondContact OD1-N 2.87Å
301	I	87.8	Confident	74.7	Confident	6 Å²	6	66 Å²	66	3%	0.031	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	111.9	175.1	-56.2	169.5	0	0	0	107.7	L321 Y322 I323 I353 I357 L469	I301-L321 HydrophobicContact CG2-CD2 4.19Å; I301-Y322 WeakPolarHBondContact O-CA 3.46Å; I301-I323 HydrophobicContact CB-CB 4.12Å; I301-I323 HydrophobicContact CD1-CB 4.42Å; I301-I323 HydrophobicContact CD1-CD1 4.16Å; I301-I323 PolarHBondContact N-O 3.04Å; I301-I323 PolarHBondContact O-N 3.29Å; I301-I353 HydrophobicContact CD1-CD1 4.42Å; I301-I353 HydrophobicContact CD1-CG2 4.02Å; I301-I353 HydrophobicContact CG1-CG2 4.31Å; I301-I353 HydrophobicContact CG2-CD1 3.79Å; I301-I357 HydrophobicContact CD1-CD1 4.26Å; I301-I357 HydrophobicContact CG1-CD1 3.62Å; I301-L469 HydrophobicContact CD1-CD2 3.71Å
302	K	89.5	Confident	75.5	Confident	119 Å²	119	66 Å²	66	52%	0.517	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	95	174.4	-160.8	-162.1	-168.1	-152.6	0	110.7	D300 E304 Y322	D300-K302 PolarHBondContact O-N 2.8Å; K302-E304 WeakPolarHBondContact CE-OE1 3.42Å; K302-E304 IonicContact NZ-OE1 3.94Å; K302-E304 PolarHBondContact NZ-OE1 3.3Å; K302-Y322 HydrophobicContact CD-CE1 4.41Å; K302-Y322 HydrophobicContact CG-CD1 3.67Å; K302-Y322 HydrophobicContact CG-CE1 3.71Å
303	L	86.7	Confident	76.8	Confident	14 Å²	14	66.4 Å²	66.4	7%	0.073	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	108.3	-176.3	-155	173.5	0	0	0	110	F306 D320 L321 L351	L303-F306 HydrophobicContact CD2-CB 3.8Å; L303-F306 HydrophobicContact CD2-CD1 4.13Å; L303-F306 HydrophobicContact CD2-CG 4.32Å; L303-D320 CarbonylContact O-C 3.5Å; L303-D320 WeakPolarHBondContact O-CA 3.45Å; L303-L321 HydrophobicContact CB-CB 4.32Å; L303-L321 PolarHBondContact N-O 2.99Å; L303-L321 PolarHBondContact O-N 3.48Å; L303-L351 HydrophobicContact CD1-CB 3.77Å
304	E	87	Confident	78.5	Confident	54 Å²	54	68.8 Å²	68.8	25%	0.252	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	146.8	-174.1	-64	164.5	179.2	0	0	112.1	R291 K302 F306 D320 Y322	R291-E304 IonicContact CZ-OE2 2.93Å; R291-E304 IonicContact NH1-OE2 3.37Å; R291-E304 PolarHBondContact NH1-OE2 2.86Å; R291-E304 IonicContact NH2-OE1 3.54Å; R291-E304 IonicContact NH2-OE2 2.66Å; R291-E304 PolarHBondContact NH2-OE2 3.33Å; K302-E304 WeakPolarHBondContact CE-OE1 3.42Å; K302-E304 IonicContact NZ-OE1 3.94Å; K302-E304 PolarHBondContact NZ-OE1 3.3Å; E304-F306 PolarHBondContact O-N 3.03Å; E304-D320 VanDerWaalsContact CA-OD1 3.25Å; E304-D320 WeakPolarHBondContact CA-OD1 3.49Å; E304-Y322 HydrophobicContact CG-CE1 4.09Å
305	K	87.7	Confident	80.1	Confident	95 Å²	95	62.6 Å²	62.6	41%	0.413	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	51.1	47	172.4	-59.7	178.4	177.8	177.2	0	114.7	A319 D320 S592	K305-A319 CarbonylContact C-O 3.56Å; K305-A319 VanDerWaalsContact CA-O 3.27Å; K305-A319 WeakPolarHBondContact CA-O 3.16Å; K305-A319 PolarHBondContact N-O 3.06Å; K305-D320 PolarHBondContact N-OD1 2.83Å; K305-S592 PolarHBondContact NZ-OG 3.29Å
306	F	89.8	Confident	81.6	Confident	0 Å²	0	61.3 Å²	61.3	0%	0	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	155	167.4	74.3	-84.7	0	0	0	111.3	Q285 L303 E304 I308 F316 N318 A319 L321 L342 L351 L523	Q285-F306 HydrophobicContact CG-CB 4.35Å; L303-F306 HydrophobicContact CD2-CB 3.8Å; L303-F306 HydrophobicContact CD2-CD1 4.13Å; L303-F306 HydrophobicContact CD2-CG 4.32Å; E304-F306 PolarHBondContact O-N 3.03Å; F306-I308 HydrophobicContact CD2-CD1 4.01Å; F306-I308 HydrophobicContact CD2-CG1 3.91Å; F306-I308 HydrophobicContact CE2-CD1 3.78Å; F306-I308 HydrophobicContact CE2-CG1 4.09Å; F306-F316 HydrophobicContact CD2-CB 4.47Å; F306-F316 HydrophobicContact CE2-CB 3.94Å; F306-F316 HydrophobicContact CE2-CD1 4.05Å; F306-F316 AromaticContact CE2-CG 3.96Å; F306-F316 HydrophobicContact CE2-CG 3.96Å; F306-F316 HydrophobicContact CZ-CD1 4.09Å; F306-F316 HydrophobicContact CZ-CG 4.47Å; F306-N318 PolarHBondContact O-N 2.8Å; F306-A319 HydrophobicContact CD1-CB 4.2Å; F306-A319 WeakPolarHBondContact CD1-O 3.49Å; F306-A319 HydrophobicContact CE1-CB 3.66Å; F306-A319 WeakPolarHBondContact CE1-O 3.32Å; F306-A319 HydrophobicContact CE2-CB 4.15Å; F306-A319 HydrophobicContact CZ-CB 3.65Å; F306-A319 PolarHBondContact N-O 3.36Å; F306-A319 PolarHBondContact O-N 3.38Å; F306-L321 HydrophobicContact CD1-CB 4.43Å; F306-L321 HydrophobicContact CE1-CB 3.78Å; F306-L342 HydrophobicContact CE2-CD1 3.93Å; F306-L342 HydrophobicContact CZ-CD1 3.9Å; F306-L351 HydrophobicContact CB-CD2 4.49Å; F306-L351 HydrophobicContact CD2-CD2 4.06Å; F306-L351 HydrophobicContact CE2-CD1 4.48Å; F306-L351 HydrophobicContact CG-CD2 4.42Å; F306-L523 HydrophobicContact CE1-CD1 4.44Å; F306-L523 HydrophobicContact CZ-CD1 4.17Å
307	S	88.8	Confident	83.2	Confident	19 Å²	19	57.2 Å²	57.2	13%	0.133	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	144.1	169.3	-53.5	0	0	0	0	110.6	S284 F316 N318	S284-S307 PolarHBondContact N-O 3.3Å; S284-S307 PolarHBondContact O-N 3.42Å; S307-F316 CarbonylContact C-O 3.6Å; S307-F316 WeakPolarHBondContact CA-O 3.17Å; S307-F316 VanDerWaalsContact CB-O 3.25Å; S307-F316 WeakPolarHBondContact CB-O 3.44Å; S307-N318 PolarHBondContact OG-N 2.65Å; S307-N318 VanDerWaalsContact OG-N 3.09Å
308	I	89.4	Confident	84.6	Confident	0 Å²	0	53.4 Å²	53.4	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	127.7	179.8	-54.9	172.9	0	0	0	108.5	F306 L315 F316 T341 L342 H345 L351	F306-I308 HydrophobicContact CD2-CD1 4.01Å; F306-I308 HydrophobicContact CD2-CG1 3.91Å; F306-I308 HydrophobicContact CE2-CD1 3.78Å; F306-I308 HydrophobicContact CE2-CG1 4.09Å; I308-L315 PolarHBondContact O-N 2.83Å; I308-F316 HydrophobicContact CB-CB 4.32Å; I308-F316 HydrophobicContact CB-CD2 4.09Å; I308-F316 HydrophobicContact CD1-CD2 4.12Å; I308-F316 HydrophobicContact CG1-CD2 4.44Å; I308-F316 PolarHBondContact N-O 3.32Å; I308-F316 PolarHBondContact O-N 2.79Å; I308-F316 VanDerWaalsContact O-N 3.13Å; I308-T341 HydrophobicContact CG2-CG2 4.43Å; I308-L342 HydrophobicContact CD1-CD1 4.2Å; I308-H345 HydrophobicContact CD1-CB 4.13Å; I308-L351 HydrophobicContact CD1-CD2 4.18Å; I308-L351 HydrophobicContact CG1-CD2 4.44Å
309	S	87.3	Confident	85.8	Confident	32 Å²	32	52.1 Å²	52.1	22%	0.224	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	138.4	172.4	-68.8	0	0	0	0	110.6	F281 S282 K313	F281-S309 WeakPolarHBondContact CA-O 3.44Å; S282-S309 PolarHBondContact N-O 2.77Å; S282-S309 PolarHBondContact O-N 3.1Å; S309-K313 CarbonylContact C-O 3.4Å; S309-K313 WeakPolarHBondContact CA-O 3.4Å
310	A	80.8	Confident	86.5	Confident	6 Å²	6	51 Å²	51	5%	0.05	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	130.3	-173.7	0	0	0	0	0	110.4	F281 G312 K313 L315	F281-A310 HydrophobicContact CD1-CB 3.5Å; F281-A310 VanDerWaalsContact CD1-CB 3.5Å; F281-A310 HydrophobicContact CE1-CB 3.37Å; A310-G312 PolarHBondContact O-N 2.62Å; A310-G312 VanDerWaalsContact O-N 3.1Å; A310-K313 PolarHBondContact N-O 2.67Å; A310-K313 PolarHBondContact O-N 2.72Å; A310-L315 HydrophobicContact CB-CD1 3.53Å; A310-L315 HydrophobicContact CB-CG 4.13Å
311	H	73.7	Confident	86.7	Confident	135 Å²	135	48.3 Å²	48.3	63%	0.625	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	47.8	41.2	176.8	-48.2	-64.1	0	0	0	113.6	D280 K313	D280-H311 PolarHBondContact O-N 3.11Å; H311-K313 VanDerWaalsContact C-N 3.32Å; H311-K313 PolarHBondContact O-N 3.11Å
312	G	73.4	Confident	86.9	Confident	87 Å²	87	51.5 Å²	51.5	90%	0.897	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.5	9.4	-178.4	0	0	0	0	0	116.2	A310	A310-G312 PolarHBondContact O-N 2.62Å; A310-G312 VanDerWaalsContact O-N 3.1Å
313	K	80.1	Confident	87.1	Confident	150 Å²	150	46 Å²	46	65%	0.652	25%	0.246	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-113.6	129.7	173.4	-67.1	178.2	-178.4	172.3	0	111.2	S309 A310 H311 L315	S309-K313 CarbonylContact C-O 3.4Å; S309-K313 WeakPolarHBondContact CA-O 3.4Å; A310-K313 PolarHBondContact N-O 2.67Å; A310-K313 PolarHBondContact O-N 2.72Å; H311-K313 VanDerWaalsContact C-N 3.32Å; H311-K313 PolarHBondContact O-N 3.11Å; K313-L315 PolarHBondContact O-N 2.96Å
314	E	85.8	Confident	87.4	Confident	121 Å²	121	47.6 Å²	47.6	57%	0.565	26%	0.256	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70.6	112.5	167.4	-65.4	173	170.7	0	0	109.3	V317 Q521	E314-V317 HydrophobicContact CB-CG2 3.9Å; E314-V317 HydrophobicContact CG-CG2 4.46Å; E314-Q521 PolarHBondContact O-NE2 2.82Å
315	L	87.8	Confident	87.6	Confident	20 Å²	20	47 Å²	47	11%	0.105	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	-42.3	179.2	-62.6	178.6	0	0	0	111.3	I308 A310 K313 T341 Q521	I308-L315 PolarHBondContact O-N 2.83Å; A310-L315 HydrophobicContact CB-CD1 3.53Å; A310-L315 HydrophobicContact CB-CG 4.13Å; K313-L315 PolarHBondContact O-N 2.96Å; L315-T341 HydrophobicContact CD1-CG2 3.77Å; L315-Q521 WeakPolarHBondContact O-CA 3.34Å; L315-Q521 WeakPolarHBondContact O-CB 3.44Å
316	F	91.1	Very high	87.6	Confident	0 Å²	0	44.3 Å²	44.3	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	130.2	-178.7	-64.7	-93.5	0	0	0	109.6	F306 S307 I308 A319 L342 L518 Q521 L523	F306-F316 HydrophobicContact CD2-CB 4.47Å; F306-F316 HydrophobicContact CE2-CB 3.94Å; F306-F316 HydrophobicContact CE2-CD1 4.05Å; F306-F316 AromaticContact CE2-CG 3.96Å; F306-F316 HydrophobicContact CE2-CG 3.96Å; F306-F316 HydrophobicContact CZ-CD1 4.09Å; F306-F316 HydrophobicContact CZ-CG 4.47Å; S307-F316 CarbonylContact C-O 3.6Å; S307-F316 WeakPolarHBondContact CA-O 3.17Å; S307-F316 VanDerWaalsContact CB-O 3.25Å; S307-F316 WeakPolarHBondContact CB-O 3.44Å; I308-F316 HydrophobicContact CB-CB 4.32Å; I308-F316 HydrophobicContact CB-CD2 4.09Å; I308-F316 HydrophobicContact CD1-CD2 4.12Å; I308-F316 HydrophobicContact CG1-CD2 4.44Å; I308-F316 PolarHBondContact N-O 3.32Å; I308-F316 PolarHBondContact O-N 2.79Å; I308-F316 VanDerWaalsContact O-N 3.13Å; F316-A319 HydrophobicContact CB-CB 4.18Å; F316-A319 HydrophobicContact CD1-CB 4.01Å; F316-L342 HydrophobicContact CE1-CD2 4.01Å; F316-L342 HydrophobicContact CE2-CB 4Å; F316-L342 HydrophobicContact CZ-CB 3.76Å; F316-L342 HydrophobicContact CZ-CD1 4.46Å; F316-L342 HydrophobicContact CZ-CD2 3.89Å; F316-L342 HydrophobicContact CZ-CG 4.25Å; F316-L518 HydrophobicContact CD1-CD1 4.14Å; F316-L518 HydrophobicContact CE1-CD1 3.5Å; F316-L518 HydrophobicContact CE1-CD2 4.12Å; F316-L518 HydrophobicContact CE1-CG 4.44Å; F316-L518 HydrophobicContact CZ-CD1 3.99Å; F316-L518 HydrophobicContact CZ-CD2 3.76Å; F316-Q521 WeakPolarHBondContact CA-O 3.35Å; F316-L523 HydrophobicContact CE1-CD2 3.9Å; F316-L523 HydrophobicContact CE1-CG 4.17Å
317	V	90.6	Very high	87.8	Confident	39 Å²	39	48.3 Å²	48.3	24%	0.236	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	107.9	-177.8	-177	0	0	0	0	110.5	E314 A319 Q521 R522	E314-V317 HydrophobicContact CB-CG2 3.9Å; E314-V317 HydrophobicContact CG-CG2 4.46Å; V317-A319 VanDerWaalsContact C-N 3.31Å; V317-A319 PolarHBondContact O-N 2.89Å; V317-Q521 HydrophobicContact CB-CB 4.43Å; V317-Q521 HydrophobicContact CG2-CB 4.3Å; V317-Q521 PolarHBondContact N-O 3.32Å; V317-R522 WeakPolarHBondContact O-CG 3.45Å; V317-R522 PolarHBondContact O-NE 3.45Å
318	N	89	Confident	88.1	Confident	67 Å²	67	49.7 Å²	49.7	36%	0.358	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	50.9	51	-171.3	-62.4	-48	0	0	0	111.6	F306 S307 R522	F306-N318 PolarHBondContact O-N 2.8Å; S307-N318 PolarHBondContact OG-N 2.65Å; S307-N318 VanDerWaalsContact OG-N 3.09Å; N318-R522 PolarHBondContact O-NE 3Å
319	A	90.8	Very high	88.4	Confident	0 Å²	0	50 Å²	50	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	153.1	174.5	0	0	0	0	0	110.7	K305 F306 F316 V317	K305-A319 CarbonylContact C-O 3.56Å; K305-A319 VanDerWaalsContact CA-O 3.27Å; K305-A319 WeakPolarHBondContact CA-O 3.16Å; K305-A319 PolarHBondContact N-O 3.06Å; F306-A319 HydrophobicContact CD1-CB 4.2Å; F306-A319 WeakPolarHBondContact CD1-O 3.49Å; F306-A319 HydrophobicContact CE1-CB 3.66Å; F306-A319 WeakPolarHBondContact CE1-O 3.32Å; F306-A319 HydrophobicContact CE2-CB 4.15Å; F306-A319 HydrophobicContact CZ-CB 3.65Å; F306-A319 PolarHBondContact N-O 3.36Å; F306-A319 PolarHBondContact O-N 3.38Å; F316-A319 HydrophobicContact CB-CB 4.18Å; F316-A319 HydrophobicContact CD1-CB 4.01Å; V317-A319 VanDerWaalsContact C-N 3.31Å; V317-A319 PolarHBondContact O-N 2.89Å
320	D	91.6	Very high	88.8	Confident	49 Å²	49	48.5 Å²	48.5	26%	0.262	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	136	173.5	-56.7	-41.5	0	0	0	109.6	L303 E304 K305 Y322	L303-D320 CarbonylContact O-C 3.5Å; L303-D320 WeakPolarHBondContact O-CA 3.45Å; E304-D320 VanDerWaalsContact CA-OD1 3.25Å; E304-D320 WeakPolarHBondContact CA-OD1 3.49Å; K305-D320 PolarHBondContact N-OD1 2.83Å; D320-Y322 HydrophobicContact CB-CD2 4.34Å; D320-Y322 HydrophobicContact CB-CE1 4.2Å; D320-Y322 HydrophobicContact CB-CE2 3.55Å; D320-Y322 VanDerWaalsContact CB-CZ 3.48Å; D320-Y322 WeakPolarHBondContact CB-OH 3.23Å; D320-Y322 PolarHBondContact OD2-OH 3.39Å
321	L	92.6	Very high	89.4	Confident	2 Å²	2	48.2 Å²	48.2	1%	0.01	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	112.6	176.5	-175.8	68.1	0	0	0	109.3	I301 L303 F306 I323 I346 L351 L523	I301-L321 HydrophobicContact CG2-CD2 4.19Å; L303-L321 HydrophobicContact CB-CB 4.32Å; L303-L321 PolarHBondContact N-O 2.99Å; L303-L321 PolarHBondContact O-N 3.48Å; F306-L321 HydrophobicContact CD1-CB 4.43Å; F306-L321 HydrophobicContact CE1-CB 3.78Å; L321-I323 HydrophobicContact CD1-CD1 4.1Å; L321-I323 HydrophobicContact CD1-CG1 4.18Å; L321-I323 HydrophobicContact CD2-CD1 4.48Å; L321-I323 HydrophobicContact CG-CD1 4.31Å; L321-I323 HydrophobicContact CG-CG1 4.33Å; L321-I346 HydrophobicContact CD2-CD1 3.86Å; L321-I346 HydrophobicContact CD2-CG1 4.08Å; L321-L351 HydrophobicContact CD2-CD1 4.31Å; L321-L523 HydrophobicContact CD1-CD1 3.9Å
322	Y	92.1	Very high	90.2	Very high	72 Å²	72	42 Å²	42	28%	0.282	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	116.5	175.3	-53.5	-54	0	0	0	109.6	I301 K302 E304 D320 Y525	I301-Y322 WeakPolarHBondContact O-CA 3.46Å; K302-Y322 HydrophobicContact CD-CE1 4.41Å; K302-Y322 HydrophobicContact CG-CD1 3.67Å; K302-Y322 HydrophobicContact CG-CE1 3.71Å; E304-Y322 HydrophobicContact CG-CE1 4.09Å; D320-Y322 HydrophobicContact CB-CD2 4.34Å; D320-Y322 HydrophobicContact CB-CE1 4.2Å; D320-Y322 HydrophobicContact CB-CE2 3.55Å; D320-Y322 VanDerWaalsContact CB-CZ 3.48Å; D320-Y322 WeakPolarHBondContact CB-OH 3.23Å; D320-Y322 PolarHBondContact OD2-OH 3.39Å; Y322-Y525 AromaticContact CD2-CD2 3.9Å; Y322-Y525 HydrophobicContact CD2-CD2 3.9Å; Y322-Y525 AromaticContact CD2-CE2 3.7Å; Y322-Y525 HydrophobicContact CD2-CE2 3.7Å; Y322-Y525 HydrophobicContact CG-CE2 4.4Å; Y322-Y525 PolarHBondContact N-OH 2.98Å; Y322-Y525 WeakPolarHBondContact O-CE1 3.4Å; Y322-Y525 PolarHBondContact O-OH 3.2Å
323	I	92.6	Very high	90.9	Very high	5 Å²	5	38.1 Å²	38.1	3%	0.026	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	110.9	174.1	-53.6	177.5	0	0	0	108	D300 I301 L321 Y329 L469 T497 L499	D300-I323 CarbonylContact C-O 3.58Å; D300-I323 WeakPolarHBondContact CA-O 3.42Å; I301-I323 HydrophobicContact CB-CB 4.12Å; I301-I323 HydrophobicContact CD1-CB 4.42Å; I301-I323 HydrophobicContact CD1-CD1 4.16Å; I301-I323 PolarHBondContact N-O 3.04Å; I301-I323 PolarHBondContact O-N 3.29Å; L321-I323 HydrophobicContact CD1-CD1 4.1Å; L321-I323 HydrophobicContact CD1-CG1 4.18Å; L321-I323 HydrophobicContact CD2-CD1 4.48Å; L321-I323 HydrophobicContact CG-CD1 4.31Å; L321-I323 HydrophobicContact CG-CG1 4.33Å; I323-Y329 HydrophobicContact CB-CE2 4.17Å; I323-Y329 HydrophobicContact CG2-CD2 3.86Å; I323-Y329 HydrophobicContact CG2-CE2 3.58Å; I323-L469 HydrophobicContact CD1-CD2 4.3Å; I323-L469 HydrophobicContact CG2-CD1 4.42Å; I323-T497 HydrophobicContact CG2-CG2 3.6Å; I323-L499 HydrophobicContact CD1-CD2 4.07Å
324	V	92.8	Very high	91	Very high	47 Å²	47	33.5 Å²	33.5	29%	0.285	18%	0.182	S	C	.	.			trans	-88	136.2	176.1	177.2	0	0	0	0	109.4	R327 Y329	V324-R327 HydrophobicContact CB-CG 4.15Å; V324-R327 HydrophobicContact CG1-CG 4.31Å; V324-R327 PolarHBondContact O-N 2.75Å; V324-Y329 PolarHBondContact N-OH 2.89Å
325	A	91.1	Very high	90.7	Very high	42 Å²	42	30.1 Å²	30.1	35%	0.347	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.8	139.5	-178.4	0	0	0	0	0	112.7	D300 R327	D300-A325 WeakPolarHBondContact OD1-CB 3.44Å; D300-A325 PolarHBondContact OD1-N 2.87Å; A325-R327 VanDerWaalsContact C-N 3.26Å; A325-R327 PolarHBondContact O-N 2.96Å
326	G	88.8	Confident	90.2	Very high	37 Å²	37	32.7 Å²	32.7	38%	0.381	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	75.7	1.7	176.6	0	0	0	0	0	115.9	T497	G326-T497 PolarHBondContact N-OG1 3.16Å
327	R	93.6	Very high	89.8	Confident	84 Å²	84	37 Å²	37	32%	0.317	22%	0.218	S	C	.	.			trans	-87.1	161.4	170.4	-60.4	-156.1	-169.1	-171.4	4.7	112.3	V324 A325 Y329 T497 L498 D514	V324-R327 HydrophobicContact CB-CG 4.15Å; V324-R327 HydrophobicContact CG1-CG 4.31Å; V324-R327 PolarHBondContact O-N 2.75Å; A325-R327 VanDerWaalsContact C-N 3.26Å; A325-R327 PolarHBondContact O-N 2.96Å; R327-Y329 HydrophobicContact CB-CD2 4.19Å; R327-Y329 HydrophobicContact CB-CE2 3.61Å; R327-T497 WeakPolarHBondContact O-CA 2.98Å; R327-T497 WeakPolarHBondContact O-CG2 3.15Å; R327-L498 PolarHBondContact O-N 2.95Å; R327-D514 VanDerWaalsContact CD-OD2 3.23Å; R327-D514 WeakPolarHBondContact CD-OD2 3.43Å; R327-D514 IonicContact CZ-OD1 2.7Å; R327-D514 IonicContact NH1-OD1 2.68Å; R327-D514 PolarHBondContact NH1-OD1 3.45Å; R327-D514 IonicContact NH1-OD2 3.19Å
328	R	95.2	Very high	89.5	Confident	49 Å²	49	35.6 Å²	35.6	19%	0.185	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	100.3	-179.6	-60.2	-175.3	-62.3	-101.9	-0.7	109.8	W494 L498 V511 C512 T513 D514	R328-W494 PolarHBondContact NH1-O 2.81Å; R328-L498 HydrophobicContact CB-CB 4.16Å; R328-L498 HydrophobicContact CB-CD1 4.34Å; R328-L498 HydrophobicContact CG-CB 4.08Å; R328-L498 HydrophobicContact CG-CD1 3.84Å; R328-L498 HydrophobicContact CG-CG 3.99Å; R328-V511 PolarHBondContact NE-O 3.5Å; R328-C512 CarbonylContact O-C 3.57Å; R328-C512 WeakPolarHBondContact O-CA 3.25Å; R328-C512 WeakPolarHBondContact O-CB 3.31Å; R328-T513 HydrophobicContact CB-CG2 4.39Å; R328-T513 PolarHBondContact N-OG1 3.25Å; R328-T513 PolarHBondContact O-N 3.49Å; R328-T513 PolarHBondContact O-OG1 3.28Å; R328-D514 PolarHBondContact O-N 3.17Å
329	Y	95.6	Very high	89.5	Confident	6 Å²	6	32.9 Å²	32.9	2%	0.024	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	128.1	-174.2	-69	-84	0	0	0	112.2	I323 V324 R327 L498 L499 I500 D514 I516 Y525	I323-Y329 HydrophobicContact CB-CE2 4.17Å; I323-Y329 HydrophobicContact CG2-CD2 3.86Å; I323-Y329 HydrophobicContact CG2-CE2 3.58Å; V324-Y329 PolarHBondContact N-OH 2.89Å; R327-Y329 HydrophobicContact CB-CD2 4.19Å; R327-Y329 HydrophobicContact CB-CE2 3.61Å; Y329-L498 PolarHBondContact N-O 2.87Å; Y329-L499 WeakPolarHBondContact O-CA 3.46Å; Y329-I500 PolarHBondContact O-N 3.43Å; Y329-D514 WeakPolarHBondContact CA-O 3.48Å; Y329-D514 HydrophobicContact CD1-CB 3.65Å; Y329-D514 HydrophobicContact CE1-CB 3.68Å; Y329-I516 HydrophobicContact CD1-CD1 3.74Å; Y329-I516 HydrophobicContact CD1-CG1 3.74Å; Y329-I516 HydrophobicContact CG-CD1 4.03Å; Y329-I516 HydrophobicContact CG-CG1 4.37Å; Y329-Y525 HydrophobicContact CE1-CD1 4.33Å; Y329-Y525 HydrophobicContact CE1-CE1 4.25Å
330	G	95.2	Very high	89.4	Confident	0 Å²	0	35.4 Å²	35.4	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	113.8	168.4	0	0	0	0	0	111.2	I500 C512 D514 I515 I516	G330-I500 CarbonylContact C-O 3.58Å; G330-I500 WeakPolarHBondContact CA-O 3.31Å; G330-C512 VanDerWaalsContact CA-SG 3.51Å; G330-C512 PolarHBondContact N-SG 2.88Å; G330-D514 PolarHBondContact N-O 3.04Å; G330-I515 WeakPolarHBondContact O-CA 3.47Å; G330-I516 PolarHBondContact O-N 2.94Å
331	L	94	Very high	89.3	Confident	1 Å²	1	34.4 Å²	34.4	1%	0.005	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	104.4	177.2	174.9	56.4	0	0	0	110.4	L342 L499 I500 V501 I516 L518 L523	L331-L342 HydrophobicContact CD2-CD2 4.03Å; L331-L499 HydrophobicContact CB-CD1 4.06Å; L331-I500 PolarHBondContact N-O 3.43Å; L331-V501 HydrophobicContact CB-CG2 3.86Å; L331-V501 HydrophobicContact CD2-CG2 3.73Å; L331-V501 HydrophobicContact CG-CG2 3.9Å; L331-I516 WeakPolarHBondContact CA-O 3.4Å; L331-I516 HydrophobicContact CD1-CB 4.11Å; L331-I516 HydrophobicContact CD1-CG2 4.16Å; L331-L518 HydrophobicContact CD1-CB 4.32Å; L331-L523 HydrophobicContact CD1-CD2 4.03Å
332	V	91.4	Very high	89.2	Confident	3 Å²	3	34.4 Å²	34.4	2%	0.018	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	147.1	-174.9	-59.9	0	0	0	0	111.6	L508 I515 I516 H517 L518 Y530 F533 I772	V332-L508 HydrophobicContact CG1-CD1 3.53Å; V332-L508 HydrophobicContact CG1-CD2 4.44Å; V332-I515 HydrophobicContact CG1-CG2 4.46Å; V332-I515 HydrophobicContact CG2-CG2 3.49Å; V332-I515 VanDerWaalsContact CG2-CG2 3.49Å; V332-I516 PolarHBondContact N-O 3.23Å; V332-H517 HydrophobicContact CG2-CB 4.34Å; V332-H517 WeakPolarHBondContact O-CA 3.32Å; V332-H517 PolarHBondContact O-CD2 3.36Å; V332-L518 PolarHBondContact O-N 3.44Å; V332-Y530 HydrophobicContact CB-CE2 4.43Å; V332-Y530 HydrophobicContact CG1-CD2 4.22Å; V332-Y530 HydrophobicContact CG1-CE2 4.02Å; V332-Y530 HydrophobicContact CG2-CE2 4.32Å; V332-F533 HydrophobicContact CG2-CD1 4.5Å; V332-F533 HydrophobicContact CG2-CE1 3.91Å; V332-F533 HydrophobicContact CG2-CZ 4.14Å; V332-I772 HydrophobicContact CG1-CD1 4.41Å
333	G	86.9	Confident	89.2	Confident	7 Å²	7	31 Å²	31	7%	0.072	19%	0.193	C	C	.	.			trans	163.5	168	175	0	0	0	0	0	112.8	H503	G333-H503 PolarHBondContact O-CE1 2.85Å
334	P	82.1	Confident	89.1	Confident	53 Å²	53	34.4 Å²	34.4	34%	0.344	21%	0.208	S	C	.	.			trans	-61	157.3	-174.3	-24.1	33.6	0	0	0	114.2	K337	P334-K337 HydrophobicContact CB-CG 3.94Å; P334-K337 HydrophobicContact CG-CG 4.4Å; P334-K337 WeakPolarHBondContact O-CB 3.48Å; P334-K337 VanDerWaalsContact O-CG 3.25Å; P334-K337 WeakPolarHBondContact O-CG 3.47Å; P334-K337 PolarHBondContact O-N 2.64Å
335	N	80.8	Confident	88.9	Confident	50 Å²	50	32.8 Å²	32.8	27%	0.267	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.7	143.1	-179.2	-69.9	-18.7	0	0	0	111.8	K339 H503 N769 L770	N335-K339 PolarHBondContact OD1-NZ 2.68Å; N335-H503 PolarHBondContact ND2-NE2 2.99Å; N335-H503 VanDerWaalsContact ND2-NE2 3.11Å; N335-H503 PolarHBondContact OD1-CE1 3.33Å; N335-H503 PolarHBondContact OD1-NE2 3.09Å; N335-N769 PolarHBondContact ND2-O 2.69Å; N335-L770 PolarHBondContact ND2-O 3.03Å; N335-L770 VanDerWaalsContact ND2-O 3.14Å
336	G	76.4	Confident	88.9	Confident	74 Å²	74	30.8 Å²	30.8	76%	0.763	18%	0.181	S	C	*	.	T	Hydrogen-bonded Turn	trans	75.7	12.7	-174.1	0	0	0	0	0	116.3
337	K	83.3	Confident	88.9	Confident	91 Å²	91	30.4 Å²	30.4	40%	0.396	17%	0.174	S	C	.	.	S	Bend	trans	-88.2	-5.8	175.6	-59.8	-59	-179.7	-165.2	0	115.5	P334 L518	P334-K337 HydrophobicContact CB-CG 3.94Å; P334-K337 HydrophobicContact CG-CG 4.4Å; P334-K337 WeakPolarHBondContact O-CB 3.48Å; P334-K337 VanDerWaalsContact O-CG 3.25Å; P334-K337 WeakPolarHBondContact O-CG 3.47Å; P334-K337 PolarHBondContact O-N 2.64Å; K337-L518 HydrophobicContact CB-CD2 3.82Å; K337-L518 HydrophobicContact CB-CG 4.15Å
338	G	84.1	Confident	88.6	Confident	8 Å²	8	31.3 Å²	31.3	8%	0.082	19%	0.185	C	C	.	.	S	Bend	trans	102.1	23.5	176.2	0	0	0	0	0	116.5	T341 L342	G338-T341 WeakPolarHBondContact O-CB 3.34Å; G338-T341 PolarHBondContact O-N 2.85Å; G338-L342 PolarHBondContact O-N 3.22Å
339	K	88.9	Confident	88.2	Confident	11 Å²	11	34.4 Å²	34.4	5%	0.048	20%	0.197	C	C	.	.	H	α-helix	trans	-55.2	-61.5	178.6	-44.8	-164.7	-51.6	-87.1	0	111.5	N335 T341 L342 L343 E474 V501 H503 L518	N335-K339 PolarHBondContact OD1-NZ 2.68Å; K339-T341 VanDerWaalsContact C-N 3.27Å; K339-T341 PolarHBondContact O-N 2.95Å; K339-L342 WeakPolarHBondContact O-CB 3.4Å; K339-L342 PolarHBondContact O-N 3.34Å; K339-L342 VanDerWaalsContact O-N 3.17Å; K339-L343 PolarHBondContact O-N 2.75Å; K339-E474 WeakPolarHBondContact CE-OE1 3.27Å; K339-E474 IonicContact NZ-OE1 3.68Å; K339-E474 PolarHBondContact NZ-OE1 3.21Å; K339-V501 HydrophobicContact CB-CG1 4.01Å; K339-V501 HydrophobicContact CB-CG2 4.03Å; K339-V501 HydrophobicContact CD-CG1 3.89Å; K339-H503 PolarHBondContact NZ-NE2 3.47Å; K339-L518 HydrophobicContact CG-CD2 4.27Å
340	T	88.7	Confident	87.8	Confident	53 Å²	53	36.5 Å²	36.5	33%	0.325	22%	0.216	S	C	.	.	H	α-helix	trans	-52	-41.2	170.8	-47.1	0	0	0	0	113	L342 L343 K344 D473	T340-L342 PolarHBondContact O-N 2.91Å; T340-L343 PolarHBondContact O-N 3.14Å; T340-K344 HydrophobicContact CG2-CD 4.3Å; T340-K344 WeakPolarHBondContact O-CG 3.31Å; T340-K344 PolarHBondContact O-N 3.3Å; T340-D473 WeakPolarHBondContact CA-OD2 3.4Å; T340-D473 WeakPolarHBondContact CB-OD2 3.28Å; T340-D473 WeakPolarHBondContact CG2-OD2 3.45Å; T340-D473 PolarHBondContact OG1-OD2 2.78Å
341	T	89.3	Confident	87.2	Confident	27 Å²	27	36.5 Å²	36.5	17%	0.166	22%	0.216	C	C	.	.	H	α-helix	trans	-62.3	-42.9	-179.7	-46.5	0	0	0	0	111.5	F281 I308 L315 G338 K339 K344 H345	F281-T341 HydrophobicContact CD1-CG2 4.13Å; F281-T341 HydrophobicContact CE1-CG2 3.58Å; F281-T341 HydrophobicContact CZ-CG2 4.4Å; I308-T341 HydrophobicContact CG2-CG2 4.43Å; L315-T341 HydrophobicContact CD1-CG2 3.77Å; G338-T341 WeakPolarHBondContact O-CB 3.34Å; G338-T341 PolarHBondContact O-N 2.85Å; K339-T341 VanDerWaalsContact C-N 3.27Å; K339-T341 PolarHBondContact O-N 2.95Å; T341-K344 PolarHBondContact O-N 3.47Å; T341-H345 PolarHBondContact O-N 3.01Å; T341-H345 PolarHBondContact O-ND1 3.34Å
342	L	90.8	Very high	86.7	Confident	2 Å²	2	39 Å²	39	1%	0.01	23%	0.233	C	C	.	.	H	α-helix	trans	-62.2	-45.6	174.9	178.8	62.7	0	0	0	111.3	F306 I308 F316 L331 G338 K339 T340 K344 H345 I346 L351 L523	F306-L342 HydrophobicContact CE2-CD1 3.93Å; F306-L342 HydrophobicContact CZ-CD1 3.9Å; I308-L342 HydrophobicContact CD1-CD1 4.2Å; F316-L342 HydrophobicContact CE1-CD2 4.01Å; F316-L342 HydrophobicContact CE2-CB 4Å; F316-L342 HydrophobicContact CZ-CB 3.76Å; F316-L342 HydrophobicContact CZ-CD1 4.46Å; F316-L342 HydrophobicContact CZ-CD2 3.89Å; F316-L342 HydrophobicContact CZ-CG 4.25Å; L331-L342 HydrophobicContact CD2-CD2 4.03Å; G338-L342 PolarHBondContact O-N 3.22Å; K339-L342 WeakPolarHBondContact O-CB 3.4Å; K339-L342 PolarHBondContact O-N 3.34Å; K339-L342 VanDerWaalsContact O-N 3.17Å; T340-L342 PolarHBondContact O-N 2.91Å; L342-K344 PolarHBondContact O-N 2.87Å; L342-H345 PolarHBondContact O-N 2.98Å; L342-I346 HydrophobicContact CD1-CD1 4.15Å; L342-I346 HydrophobicContact CD1-CG1 4.4Å; L342-I346 HydrophobicContact CG-CD1 3.95Å; L342-I346 VanDerWaalsContact O-CG1 3.31Å; L342-I346 WeakPolarHBondContact O-CG1 3.46Å; L342-I346 PolarHBondContact O-N 3.08Å; L342-L351 HydrophobicContact CD1-CD1 3.91Å; L342-L523 HydrophobicContact CD2-CD1 3.99Å; L342-L523 HydrophobicContact CD2-CD2 4.26Å
343	L	91.5	Very high	86.4	Confident	0 Å²	0	39.4 Å²	39.4	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-59.4	-45.9	177.4	-63.6	-172.3	0	0	0	112.1	K339 T340 H345 I346 A347 L361 M471 D473 L499 V501	K339-L343 PolarHBondContact O-N 2.75Å; T340-L343 PolarHBondContact O-N 3.14Å; L343-H345 VanDerWaalsContact C-N 3.34Å; L343-H345 PolarHBondContact O-N 2.99Å; L343-I346 PolarHBondContact O-N 3.21Å; L343-A347 WeakPolarHBondContact O-CB 3.34Å; L343-A347 PolarHBondContact O-N 3.18Å; L343-L361 HydrophobicContact CB-CD1 3.89Å; L343-L361 HydrophobicContact CB-CD2 4Å; L343-L361 HydrophobicContact CD1-CD1 3.88Å; L343-L361 HydrophobicContact CG-CD1 4.47Å; L343-M471 HydrophobicContact CD2-CB 4.37Å; L343-M471 HydrophobicContact CD2-SD 4.02Å; L343-M471 WeakPolarHBondContact O-CE 3.17Å; L343-D473 HydrophobicContact CD1-CB 3.72Å; L343-L499 HydrophobicContact CD2-CD2 3.57Å; L343-L499 HydrophobicContact CD2-CG 4Å; L343-V501 HydrophobicContact CD1-CB 4.47Å; L343-V501 HydrophobicContact CD1-CG2 3.75Å; L343-V501 HydrophobicContact CG-CG2 4.25Å
344	K	90.3	Very high	86.3	Confident	78 Å²	78	39.1 Å²	39.1	34%	0.339	23%	0.232	S	C	.	.	H	α-helix	trans	-58.6	-42.7	174.3	-75	177.2	-173.5	-85.2	0	112.5	T340 T341 L342 I346 A347 N348 L361 E363	T340-K344 HydrophobicContact CG2-CD 4.3Å; T340-K344 WeakPolarHBondContact O-CG 3.31Å; T340-K344 PolarHBondContact O-N 3.3Å; T341-K344 PolarHBondContact O-N 3.47Å; L342-K344 PolarHBondContact O-N 2.87Å; K344-I346 VanDerWaalsContact C-N 3.33Å; K344-I346 PolarHBondContact O-N 2.7Å; K344-A347 PolarHBondContact O-N 2.9Å; K344-N348 WeakPolarHBondContact O-CB 3.46Å; K344-N348 PolarHBondContact O-N 3.29Å; K344-N348 PolarHBondContact O-OD1 3.35Å; K344-L361 HydrophobicContact CG-CD2 4.23Å; K344-E363 WeakPolarHBondContact CE-OE2 3.26Å; K344-E363 WeakPolarHBondContact CG-OE2 3.36Å; K344-E363 IonicContact NZ-OE1 2.85Å; K344-E363 PolarHBondContact NZ-OE1 2.77Å; K344-E363 IonicContact NZ-OE2 2.95Å; K344-E363 PolarHBondContact NZ-OE2 3.31Å
345	H	89.3	Confident	86.3	Confident	13 Å²	13	40 Å²	40	6%	0.06	24%	0.238	C	C	.	.	H	α-helix	trans	-69.9	-27.5	179	-76.3	66	0	0	0	113.5	F281 V283 I308 T341 L342 L343 A350 L351	F281-H345 AromaticContact CD1-CE1 3.57Å; F281-H345 AromaticContact CD1-NE2 3.99Å; F281-H345 AromaticContact CG-CE1 3.77Å; F281-H345 AromaticContact CG-NE2 3.96Å; V283-H345 VanDerWaalsContact CG2-CD2 3.44Å; V283-H345 WeakPolarHBondContact CG2-CD2 3.42Å; I308-H345 HydrophobicContact CD1-CB 4.13Å; T341-H345 PolarHBondContact O-N 3.01Å; T341-H345 PolarHBondContact O-ND1 3.34Å; L342-H345 PolarHBondContact O-N 2.98Å; L343-H345 VanDerWaalsContact C-N 3.34Å; L343-H345 PolarHBondContact O-N 2.99Å; H345-A350 HydrophobicContact CB-CB 4.47Å; H345-A350 PolarHBondContact O-N 3.35Å; H345-A350 VanDerWaalsContact O-N 3.07Å; H345-L351 HydrophobicContact CB-CG 4.11Å; H345-L351 PolarHBondContact O-N 3.33Å
346	I	89.8	Confident	86.5	Confident	0 Å²	0	41.5 Å²	41.5	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-74.1	-46.4	170.3	-63.8	163.9	0	0	0	110.1	L321 L342 L343 K344 R349 L351 I353 V359 M471 L499	L321-I346 HydrophobicContact CD2-CD1 3.86Å; L321-I346 HydrophobicContact CD2-CG1 4.08Å; L342-I346 HydrophobicContact CD1-CD1 4.15Å; L342-I346 HydrophobicContact CD1-CG1 4.4Å; L342-I346 HydrophobicContact CG-CD1 3.95Å; L342-I346 VanDerWaalsContact O-CG1 3.31Å; L342-I346 WeakPolarHBondContact O-CG1 3.46Å; L342-I346 PolarHBondContact O-N 3.08Å; L343-I346 PolarHBondContact O-N 3.21Å; K344-I346 VanDerWaalsContact C-N 3.33Å; K344-I346 PolarHBondContact O-N 2.7Å; I346-R349 PolarHBondContact O-N 2.86Å; I346-L351 HydrophobicContact CG1-CD1 3.85Å; I346-I353 HydrophobicContact CG2-CD1 4.18Å; I346-I353 HydrophobicContact CG2-CG1 4.17Å; I346-V359 HydrophobicContact CG2-CG1 4.13Å; I346-M471 HydrophobicContact CB-CE 3.98Å; I346-M471 HydrophobicContact CB-SD 4Å; I346-M471 HydrophobicContact CD1-SD 4.33Å; I346-M471 HydrophobicContact CG2-CE 3.84Å; I346-M471 HydrophobicContact CG2-SD 3.58Å; I346-M471 VanDerWaalsContact CG2-SD 3.58Å; I346-L499 HydrophobicContact CD1-CD2 4.16Å
347	A	89.3	Confident	86.9	Confident	29 Å²	29	38.3 Å²	38.3	24%	0.24	21%	0.211	C	C	.	.	H	α-helix	trans	-63.7	-47.9	-177.6	0	0	0	0	0	112.6	L343 K344 R349 L361 M471	L343-A347 WeakPolarHBondContact O-CB 3.34Å; L343-A347 PolarHBondContact O-N 3.18Å; K344-A347 PolarHBondContact O-N 2.9Å; A347-R349 PolarHBondContact O-N 3.45Å; A347-R349 VanDerWaalsContact O-N 3.11Å; A347-L361 HydrophobicContact CB-CB 3.75Å; A347-L361 HydrophobicContact CB-CD2 3.88Å; A347-L361 HydrophobicContact CB-CG 4.49Å; A347-M471 HydrophobicContact CB-CE 3.85Å
348	N	88.4	Confident	87	Confident	103 Å²	103	37.7 Å²	37.7	55%	0.551	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.7	2.7	178	-66.7	21.7	0	0	0	112.6	E278 K344 A350	E278-N348 PolarHBondContact OE2-ND2 3.21Å; K344-N348 WeakPolarHBondContact O-CB 3.46Å; K344-N348 PolarHBondContact O-N 3.29Å; K344-N348 PolarHBondContact O-OD1 3.35Å; N348-A350 PolarHBondContact O-N 2.89Å; N348-A350 VanDerWaalsContact O-N 3.1Å
349	R	86.3	Confident	87.2	Confident	113 Å²	113	38.3 Å²	38.3	43%	0.426	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.9	30.3	-174.3	-63.9	-178.5	168.2	-169.7	-7	113.6	I346 A347 L351 P355 I357	I346-R349 PolarHBondContact O-N 2.86Å; A347-R349 PolarHBondContact O-N 3.45Å; A347-R349 VanDerWaalsContact O-N 3.11Å; R349-L351 VanDerWaalsContact C-N 3.26Å; R349-L351 CarbonylContact C-O 3.59Å; R349-L351 VanDerWaalsContact C-O 3.25Å; R349-L351 VanDerWaalsContact O-O 3.11Å; R349-P355 PolarHBondContact NH1-O 3.14Å; R349-P355 PolarHBondContact NH2-O 2.77Å; R349-I357 PolarHBondContact NH2-O 3.35Å
350	A	86.2	Confident	87.3	Confident	51 Å²	51	39.7 Å²	39.7	42%	0.421	22%	0.222	S	C	.	.			trans	-71.8	-24.2	171.2	0	0	0	0	0	111.7	H345 N348	H345-A350 HydrophobicContact CB-CB 4.47Å; H345-A350 PolarHBondContact O-N 3.35Å; H345-A350 VanDerWaalsContact O-N 3.07Å; N348-A350 PolarHBondContact O-N 2.89Å; N348-A350 VanDerWaalsContact O-N 3.1Å
351	L	83.5	Confident	87.3	Confident	0 Å²	0	38.4 Å²	38.4	0%	0	21%	0.213	C	C	.	.	S	Bend	trans	-86.7	142.5	156.1	-56.4	-176.5	0	0	0	109.6	V283 L303 F306 I308 L321 L342 H345 I346 R349 I353	V283-L351 HydrophobicContact CG1-CD2 4.07Å; L303-L351 HydrophobicContact CD1-CB 3.77Å; F306-L351 HydrophobicContact CB-CD2 4.49Å; F306-L351 HydrophobicContact CD2-CD2 4.06Å; F306-L351 HydrophobicContact CE2-CD1 4.48Å; F306-L351 HydrophobicContact CG-CD2 4.42Å; I308-L351 HydrophobicContact CD1-CD2 4.18Å; I308-L351 HydrophobicContact CG1-CD2 4.44Å; L321-L351 HydrophobicContact CD2-CD1 4.31Å; L342-L351 HydrophobicContact CD1-CD1 3.91Å; H345-L351 HydrophobicContact CB-CG 4.11Å; H345-L351 PolarHBondContact O-N 3.33Å; I346-L351 HydrophobicContact CG1-CD1 3.85Å; R349-L351 VanDerWaalsContact C-N 3.26Å; R349-L351 CarbonylContact C-O 3.59Å; R349-L351 VanDerWaalsContact C-O 3.25Å; R349-L351 VanDerWaalsContact O-O 3.11Å; L351-I353 HydrophobicContact CB-CD1 4.22Å; L351-I353 WeakPolarHBondContact O-CG1 3.4Å; L351-I353 PolarHBondContact O-N 2.98Å
352	S	83.4	Confident	87	Confident	52 Å²	52	37.9 Å²	37.9	36%	0.364	21%	0.21	S	C	.	.			trans	-69	87.3	176.9	-162.3	0	0	0	0	112.1
353	I	85.9	Confident	86	Confident	12 Å²	12	41.1 Å²	41.1	6%	0.062	23%	0.226	C	C	.	.			trans	-93.2	139.4	175.7	-54.8	-53.8	0	0	0	109.7	I301 I346 L351 V359	I301-I353 HydrophobicContact CD1-CD1 4.42Å; I301-I353 HydrophobicContact CD1-CG2 4.02Å; I301-I353 HydrophobicContact CG1-CG2 4.31Å; I301-I353 HydrophobicContact CG2-CD1 3.79Å; I346-I353 HydrophobicContact CG2-CD1 4.18Å; I346-I353 HydrophobicContact CG2-CG1 4.17Å; L351-I353 HydrophobicContact CB-CD1 4.22Å; L351-I353 WeakPolarHBondContact O-CG1 3.4Å; L351-I353 PolarHBondContact O-N 2.98Å; I353-V359 HydrophobicContact CG2-CG2 4.21Å
354	P	84.6	Confident	84.8	Confident	1 Å²	1	48.2 Å²	48.2	1%	0.006	26%	0.259	C	S	.	.			trans	-47.7	129.2	172.3	-30.2	35.6	0	0	0	113.6	L295 A298 N356 I357	L295-P354 HydrophobicContact CB-CG 4.39Å; L295-P354 HydrophobicContact CD2-CG 3.82Å; L295-P354 WeakPolarHBondContact O-CB 3.31Å; A298-P354 HydrophobicContact CB-CG 4.39Å; P354-N356 VanDerWaalsContact C-N 3.29Å; P354-N356 VanDerWaalsContact C-OD1 3.31Å; P354-N356 WeakPolarHBondContact CB-OD1 3.3Å; P354-N356 PolarHBondContact O-N 3.38Å; P354-I357 HydrophobicContact CB-CD1 3.81Å; P354-I357 HydrophobicContact CB-CG1 4.01Å; P354-I357 HydrophobicContact CG-CD1 3.87Å; P354-I357 PolarHBondContact O-N 3.19Å
355	P	81.8	Confident	84.1	Confident	73 Å²	73	48.3 Å²	48.3	47%	0.474	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.2	-25.1	-169.8	28.2	-35.2	0	0	0	113.6	R349 I357	R349-P355 PolarHBondContact NH1-O 3.14Å; R349-P355 PolarHBondContact NH2-O 2.77Å; P355-I357 VanDerWaalsContact C-N 3.31Å
356	N	84.1	Confident	83.3	Confident	81 Å²	81	48.7 Å²	48.7	43%	0.433	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.4	-18.7	174.3	61.8	-39.5	0	0	0	114	A298 P354 D358	A298-N356 PolarHBondContact O-ND2 3.3Å; P354-N356 VanDerWaalsContact C-N 3.29Å; P354-N356 VanDerWaalsContact C-OD1 3.31Å; P354-N356 WeakPolarHBondContact CB-OD1 3.3Å; P354-N356 PolarHBondContact O-N 3.38Å; N356-D358 PolarHBondContact O-N 2.94Å
357	I	84.4	Confident	82.8	Confident	6 Å²	6	54.2 Å²	54.2	3%	0.031	30%	0.297	C	S	.	.	S	Bend	trans	-85.1	115.1	176.8	-60.3	175.4	0	0	0	108.7	S299 I301 R349 P354 P355 V359 T468 L469	S299-I357 WeakPolarHBondContact O-CD1 3.42Å; I301-I357 HydrophobicContact CD1-CD1 4.26Å; I301-I357 HydrophobicContact CG1-CD1 3.62Å; R349-I357 PolarHBondContact NH2-O 3.35Å; P354-I357 HydrophobicContact CB-CD1 3.81Å; P354-I357 HydrophobicContact CB-CG1 4.01Å; P354-I357 HydrophobicContact CG-CD1 3.87Å; P354-I357 PolarHBondContact O-N 3.19Å; P355-I357 VanDerWaalsContact C-N 3.31Å; I357-V359 HydrophobicContact CG2-CG2 3.82Å; I357-T468 HydrophobicContact CG2-CG2 4.12Å; I357-L469 HydrophobicContact CG2-CB 4.17Å
358	D	86.2	Confident	82.4	Confident	79 Å²	79	55.6 Å²	55.6	42%	0.422	31%	0.308	S	S	.	.			trans	-71.9	126.7	166.2	-173.6	25.2	0	0	0	109.8	N356 P467 T468 L469	N356-D358 PolarHBondContact O-N 2.94Å; D358-P467 HydrophobicContact CB-CB 4.47Å; D358-P467 WeakPolarHBondContact OD2-CB 3.32Å; D358-T468 PolarHBondContact O-N 2.93Å; D358-L469 PolarHBondContact O-N 3.21Å
359	V	88.6	Confident	82.3	Confident	21 Å²	21	53.2 Å²	53.2	13%	0.127	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	118.8	-171.8	177.7	0	0	0	0	108	I346 I353 I357 L469 M471	I346-V359 HydrophobicContact CG2-CG1 4.13Å; I353-V359 HydrophobicContact CG2-CG2 4.21Å; I357-V359 HydrophobicContact CG2-CG2 3.82Å; V359-L469 HydrophobicContact CG1-CD2 4.4Å; V359-L469 HydrophobicContact CG2-CB 4.37Å; V359-L469 HydrophobicContact CG2-CD2 4.27Å; V359-M471 HydrophobicContact CG1-CE 3.64Å; V359-M471 HydrophobicContact CG1-SD 4.14Å
360	L	90.4	Very high	82.4	Confident	39 Å²	39	54 Å²	54	20%	0.204	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	128.5	176.5	-168.3	64.1	0	0	0	110.3	A462 M465 P467 L469 M471	L360-A462 HydrophobicContact CD2-CB 3.73Å; L360-M465 HydrophobicContact CD1-CE 4.43Å; L360-M465 HydrophobicContact CD2-CB 4.44Å; L360-M465 HydrophobicContact CD2-CE 4.08Å; L360-M465 HydrophobicContact CD2-SD 3.79Å; L360-P467 HydrophobicContact CB-CB 4.1Å; L360-P467 HydrophobicContact CB-CG 3.76Å; L360-P467 HydrophobicContact CD2-CG 4.37Å; L360-L469 PolarHBondContact N-O 2.89Å; L360-L469 VanDerWaalsContact N-O 3.12Å; L360-M471 PolarHBondContact O-N 2.79Å
361	L	89	Confident	82.5	Confident	27 Å²	27	52.1 Å²	52.1	14%	0.141	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	122.2	170.1	179.2	57.5	0	0	0	109.9	L343 K344 A347 E363 M471	L343-L361 HydrophobicContact CB-CD1 3.89Å; L343-L361 HydrophobicContact CB-CD2 4Å; L343-L361 HydrophobicContact CD1-CD1 3.88Å; L343-L361 HydrophobicContact CG-CD1 4.47Å; K344-L361 HydrophobicContact CG-CD2 4.23Å; A347-L361 HydrophobicContact CB-CB 3.75Å; A347-L361 HydrophobicContact CB-CD2 3.88Å; A347-L361 HydrophobicContact CB-CG 4.49Å; L361-E363 HydrophobicContact CD2-CB 4.25Å; L361-E363 HydrophobicContact CD2-CG 3.92Å; L361-E363 VanDerWaalsContact CD2-OE2 3.31Å; L361-E363 WeakPolarHBondContact CD2-OE2 3.37Å; L361-E363 HydrophobicContact CG-CB 4Å; L361-E363 HydrophobicContact CG-CG 3.92Å; L361-E363 PolarHBondContact O-N 2.91Å; L361-M471 HydrophobicContact CB-CE 3.93Å; L361-M471 HydrophobicContact CD1-CB 3.82Å; L361-M471 HydrophobicContact CD1-CE 4.36Å
362	C	82.6	Confident	82.8	Confident	15 Å²	15	53.4 Å²	53.4	10%	0.101	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	81.7	173.6	-174.9	0	0	0	0	110.2	A462 M471 L472	C362-A462 HydrophobicContact CB-CB 4.12Å; C362-M471 PolarHBondContact N-O 3.37Å; C362-L472 HydrophobicContact CB-CD2 3.69Å
363	E	70	Confident	83.1	Confident	71 Å²	71	51 Å²	51	33%	0.332	28%	0.278	S	S	.	.			trans	-122.6	-14.5	178.6	67.7	162.6	-141.3	0	0	115.5	K344 L361 M455	K344-E363 WeakPolarHBondContact CE-OE2 3.26Å; K344-E363 WeakPolarHBondContact CG-OE2 3.36Å; K344-E363 IonicContact NZ-OE1 2.85Å; K344-E363 PolarHBondContact NZ-OE1 2.77Å; K344-E363 IonicContact NZ-OE2 2.95Å; K344-E363 PolarHBondContact NZ-OE2 3.31Å; L361-E363 HydrophobicContact CD2-CB 4.25Å; L361-E363 HydrophobicContact CD2-CG 3.92Å; L361-E363 VanDerWaalsContact CD2-OE2 3.31Å; L361-E363 WeakPolarHBondContact CD2-OE2 3.37Å; L361-E363 HydrophobicContact CG-CB 4Å; L361-E363 HydrophobicContact CG-CG 3.92Å; L361-E363 PolarHBondContact O-N 2.91Å; E363-M455 WeakPolarHBondContact O-CE 3.43Å
364	Q	66.7	Low	83.4	Confident	149 Å²	149	50.6 Å²	50.6	70%	0.696	28%	0.277	S	S	*	.	S	Bend	trans	-111.6	137.4	-171.8	-162.1	174.2	23.8	0	0	111.5	S458	Q364-S458 VanDerWaalsContact O-CB 3.25Å; Q364-S458 WeakPolarHBondContact O-CB 3.28Å; Q364-S458 PolarHBondContact O-OG 2.92Å
365	E	74.8	Confident	83.5	Confident	80 Å²	80	54.5 Å²	54.5	37%	0.374	30%	0.295	S	S	.	.	P	Polyproline II helix	trans	-59.1	146.4	170.2	-59.2	-175.7	145.9	0	0	111.1	V367 G451 R454 M455	E365-V367 PolarHBondContact O-N 2.92Å; E365-G451 WeakPolarHBondContact OE1-CA 3.47Å; E365-R454 HydrophobicContact CB-CB 4.34Å; E365-R454 IonicContact OE1-NH2 3.18Å; E365-R454 PolarHBondContact OE1-NH2 3.2Å; E365-R454 IonicContact OE2-CZ 2.79Å; E365-R454 IonicContact OE2-NH1 3.73Å; E365-R454 PolarHBondContact OE2-NH1 3.32Å; E365-R454 IonicContact OE2-NH2 2.79Å; E365-R454 PolarHBondContact OE2-NH2 3.14Å; E365-M455 HydrophobicContact CG-CE 4.05Å
366	V	74.3	Confident	83.8	Confident	21 Å²	21	51.8 Å²	51.8	13%	0.127	28%	0.279	C	S	.	.	P	Polyproline II helix	trans	-64.6	136.1	168.3	-179.8	0	0	0	0	109.7	A368 A376 T446 R454 V457	V366-A368 PolarHBondContact O-N 2.88Å; V366-A376 HydrophobicContact CG1-CB 4.44Å; V366-T446 HydrophobicContact CG1-CG2 4.06Å; V366-R454 PolarHBondContact N-O 3.15Å; V366-R454 PolarHBondContact O-NH1 3.46Å; V366-V457 HydrophobicContact CB-CB 4.47Å; V366-V457 HydrophobicContact CG2-CB 3.92Å; V366-V457 HydrophobicContact CG2-CG1 3.96Å
367	V	78.6	Confident	84	Confident	115 Å²	115	47.9 Å²	47.9	70%	0.697	26%	0.258	S	S	*	.	P	Polyproline II helix	trans	-52.8	130.6	175.4	-179.4	0	0	0	0	109.5	E365 D369 T446	E365-V367 PolarHBondContact O-N 2.92Å; V367-D369 PolarHBondContact O-N 3.48Å; V367-D369 VanDerWaalsContact O-N 3.15Å; V367-T446 PolarHBondContact O-OG1 2.82Å; V367-T446 VanDerWaalsContact O-OG1 3.08Å
368	A	81.2	Confident	84.1	Confident	58 Å²	58	48.7 Å²	48.7	48%	0.479	26%	0.262	S	S	.	.			trans	-69.6	107.5	175.1	0	0	0	0	0	110.1	V366 Q447	V366-A368 PolarHBondContact O-N 2.88Å; A368-Q447 HydrophobicContact CB-CB 4.1Å
369	D	86.1	Confident	84	Confident	54 Å²	54	50.4 Å²	50.4	29%	0.289	26%	0.263	S	S	.	.			trans	-140	176.2	-178.8	80.7	-17.9	0	0	0	112	V367 T371 T446 Q447	V367-D369 PolarHBondContact O-N 3.48Å; V367-D369 VanDerWaalsContact O-N 3.15Å; D369-T371 PolarHBondContact O-N 2.86Å; D369-T371 WeakPolarHBondContact OD1-CB 3.47Å; D369-T371 PolarHBondContact OD1-N 3.15Å; D369-T371 WeakPolarHBondContact OD2-CB 3.26Å; D369-T371 PolarHBondContact OD2-OG1 3.38Å; D369-T446 PolarHBondContact N-OG1 2.96Å; D369-T446 PolarHBondContact O-N 2.87Å; D369-T446 PolarHBondContact O-OG1 3.48Å; D369-T446 VanDerWaalsContact O-OG1 3.06Å; D369-T446 PolarHBondContact OD1-OG1 2.99Å; D369-Q447 WeakPolarHBondContact O-CG 3.29Å; D369-Q447 PolarHBondContact O-N 2.9Å
370	E	87.8	Confident	83.4	Confident	130 Å²	130	49.7 Å²	49.7	61%	0.607	26%	0.259	S	S	*	.	S	Bend	trans	-78.4	2.4	177.4	-67.4	-71.2	-166.3	0	0	113.6	Q447	E370-Q447 PolarHBondContact OE1-NE2 3.39Å; E370-Q447 PolarHBondContact OE2-NE2 3.39Å
371	T	87.6	Confident	83	Confident	10 Å²	10	49.9 Å²	49.9	6%	0.061	26%	0.26	C	S	.	.	S	Bend	trans	-75.1	132	-177.5	-58.6	0	0	0	0	110.1	D369 Q375 A376 R379 P445 T446	D369-T371 PolarHBondContact O-N 2.86Å; D369-T371 WeakPolarHBondContact OD1-CB 3.47Å; D369-T371 PolarHBondContact OD1-N 3.15Å; D369-T371 WeakPolarHBondContact OD2-CB 3.26Å; D369-T371 PolarHBondContact OD2-OG1 3.38Å; T371-Q375 HydrophobicContact CG2-CB 3.49Å; T371-Q375 VanDerWaalsContact CG2-CB 3.49Å; T371-A376 HydrophobicContact CG2-CB 4.28Å; T371-R379 VanDerWaalsContact CG2-CZ 3.42Å; T371-R379 PolarHBondContact OG1-NH1 3.01Å; T371-R379 PolarHBondContact OG1-NH2 3.42Å; T371-P445 WeakPolarHBondContact O-CA 3.48Å; T371-T446 WeakPolarHBondContact O-CG2 3.3Å; T371-T446 PolarHBondContact O-N 3.06Å
372	P	91.4	Very high	82.5	Confident	28 Å²	28	52.5 Å²	52.5	18%	0.182	28%	0.278	C	S	.	.	B	Isolated β-bridge	trans	-58.1	143.9	171.5	-27.6	36.2	0	0	0	112.5	V374 Q375 A376 R444	P372-V374 VanDerWaalsContact C-N 3.28Å; P372-V374 HydrophobicContact CB-CG1 4.37Å; P372-V374 PolarHBondContact O-N 3.45Å; P372-Q375 HydrophobicContact CB-CB 4.36Å; P372-Q375 HydrophobicContact CB-CG 4.26Å; P372-Q375 HydrophobicContact CG-CG 4.3Å; P372-Q375 CarbonylContact O-C 3.56Å; P372-Q375 WeakPolarHBondContact O-CA 3.42Å; P372-Q375 WeakPolarHBondContact O-CB 3.35Å; P372-Q375 PolarHBondContact O-N 3.14Å; P372-A376 PolarHBondContact O-N 2.91Å; P372-R444 WeakPolarHBondContact CA-O 3.48Å
373	A	90	Very high	82.2	Confident	0 Å²	0	56.9 Å²	56.9	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-51.9	-42.7	-178.9	0	0	0	0	0	113.4	Q375 A376 V377 F437 Q442 R444 F449 V457	A373-Q375 VanDerWaalsContact C-N 3.33Å; A373-Q375 PolarHBondContact O-N 3.41Å; A373-A376 PolarHBondContact O-N 2.87Å; A373-V377 PolarHBondContact O-N 3.25Å; A373-V377 VanDerWaalsContact O-N 3.15Å; A373-F437 HydrophobicContact CB-CD1 4.46Å; A373-F437 HydrophobicContact CB-CE1 4.29Å; A373-Q442 PolarHBondContact N-O 3.48Å; A373-R444 PolarHBondContact N-O 2.85Å; A373-F449 HydrophobicContact CB-CE2 4.33Å; A373-V457 HydrophobicContact CB-CG2 4.12Å
374	V	90.6	Very high	82.6	Confident	4 Å²	4	55 Å²	55	2%	0.024	29%	0.285	C	S	.	.	H	α-helix	trans	-62.9	-35.5	175.1	69.2	0	0	0	0	113.1	P372 L378 E425 A428 R429 L432 Q442	P372-V374 VanDerWaalsContact C-N 3.28Å; P372-V374 HydrophobicContact CB-CG1 4.37Å; P372-V374 PolarHBondContact O-N 3.45Å; V374-L378 HydrophobicContact CG2-CD1 4.26Å; V374-L378 WeakPolarHBondContact O-CB 3.17Å; V374-L378 WeakPolarHBondContact O-CG 3.23Å; V374-L378 PolarHBondContact O-N 3.25Å; V374-E425 HydrophobicContact CG2-CG 4.44Å; V374-A428 HydrophobicContact CG2-CB 4.37Å; V374-R429 HydrophobicContact CG2-CG 3.78Å; V374-L432 HydrophobicContact CB-CD1 4.06Å; V374-L432 HydrophobicContact CG2-CD1 4.42Å; V374-Q442 WeakPolarHBondContact CB-O 3.44Å; V374-Q442 WeakPolarHBondContact CG1-O 3.48Å; V374-Q442 PolarHBondContact N-O 3Å
375	Q	88.4	Confident	83.3	Confident	83 Å²	83	51.3 Å²	51.3	39%	0.388	27%	0.269	S	S	.	.	H	α-helix	trans	-73.7	-34.9	175.2	-70.8	-169	19.4	0	0	111.9	T371 P372 A373 V377 L378 R379	T371-Q375 HydrophobicContact CG2-CB 3.49Å; T371-Q375 VanDerWaalsContact CG2-CB 3.49Å; P372-Q375 HydrophobicContact CB-CB 4.36Å; P372-Q375 HydrophobicContact CB-CG 4.26Å; P372-Q375 HydrophobicContact CG-CG 4.3Å; P372-Q375 CarbonylContact O-C 3.56Å; P372-Q375 WeakPolarHBondContact O-CA 3.42Å; P372-Q375 WeakPolarHBondContact O-CB 3.35Å; P372-Q375 PolarHBondContact O-N 3.14Å; A373-Q375 VanDerWaalsContact C-N 3.33Å; A373-Q375 PolarHBondContact O-N 3.41Å; Q375-V377 VanDerWaalsContact C-N 3.29Å; Q375-V377 PolarHBondContact O-N 2.9Å; Q375-L378 PolarHBondContact O-N 3.4Å; Q375-R379 VanDerWaalsContact O-CB 3.31Å; Q375-R379 WeakPolarHBondContact O-CB 3.38Å; Q375-R379 WeakPolarHBondContact O-CG 3.28Å; Q375-R379 PolarHBondContact O-N 3.37Å
376	A	87.8	Confident	83.8	Confident	16 Å²	16	53.9 Å²	53.9	13%	0.132	28%	0.279	C	S	.	.	H	α-helix	trans	-62.9	-37.4	175.6	0	0	0	0	0	111.8	V366 T371 P372 A373 T446 V457	V366-A376 HydrophobicContact CG1-CB 4.44Å; T371-A376 HydrophobicContact CG2-CB 4.28Å; P372-A376 PolarHBondContact O-N 2.91Å; A373-A376 PolarHBondContact O-N 2.87Å; A376-T446 HydrophobicContact CB-CG2 3.99Å; A376-V457 HydrophobicContact CB-CG1 4Å
377	V	87.9	Confident	84.3	Confident	0 Å²	0	53.1 Å²	53.1	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-67.9	-50	171.2	176.3	0	0	0	0	111.2	A373 Q375 R379 A380 A428 L432 V457 A460 F464	A373-V377 PolarHBondContact O-N 3.25Å; A373-V377 VanDerWaalsContact O-N 3.15Å; Q375-V377 VanDerWaalsContact C-N 3.29Å; Q375-V377 PolarHBondContact O-N 2.9Å; V377-R379 VanDerWaalsContact C-N 3.34Å; V377-R379 PolarHBondContact O-N 2.89Å; V377-A380 WeakPolarHBondContact O-CB 3.2Å; V377-A380 PolarHBondContact O-N 3.24Å; V377-A380 VanDerWaalsContact O-N 3.13Å; V377-A428 HydrophobicContact CB-CB 4.43Å; V377-A428 HydrophobicContact CG1-CB 3.82Å; V377-L432 HydrophobicContact CG2-CD1 4.13Å; V377-L432 HydrophobicContact CG2-CD2 4.15Å; V377-L432 HydrophobicContact CG2-CG 4.26Å; V377-V457 HydrophobicContact CG2-CG1 4.12Å; V377-A460 HydrophobicContact CG2-CB 3.73Å; V377-F464 HydrophobicContact CG1-CB 3.59Å; V377-F464 HydrophobicContact CG1-CD1 3.98Å; V377-F464 HydrophobicContact CG1-CD2 4.18Å; V377-F464 HydrophobicContact CG1-CG 3.65Å; V377-F464 WeakPolarHBondContact O-CD1 3.26Å
378	L	86.8	Confident	84.6	Confident	22 Å²	22	50.4 Å²	50.4	12%	0.115	26%	0.256	C	S	.	.	H	α-helix	trans	-64.2	-33.2	-178.7	-76	170.5	0	0	0	113.9	V374 Q375 A380 D381 A424 E425 A428 F464	V374-L378 HydrophobicContact CG2-CD1 4.26Å; V374-L378 WeakPolarHBondContact O-CB 3.17Å; V374-L378 WeakPolarHBondContact O-CG 3.23Å; V374-L378 PolarHBondContact O-N 3.25Å; Q375-L378 PolarHBondContact O-N 3.4Å; L378-A380 PolarHBondContact O-N 3.49Å; L378-D381 PolarHBondContact O-N 3.05Å; L378-A424 HydrophobicContact CD2-CB 4.22Å; L378-E425 HydrophobicContact CD1-CB 4.2Å; L378-E425 HydrophobicContact CD1-CG 4.18Å; L378-A428 HydrophobicContact CD2-CB 4.07Å; L378-A428 HydrophobicContact CG-CB 4.1Å; L378-F464 HydrophobicContact CD2-CE1 4.49Å; L378-F464 HydrophobicContact CD2-CE2 4.23Å; L378-F464 HydrophobicContact CD2-CZ 3.81Å
379	R	82.6	Confident	84.9	Confident	115 Å²	115	51 Å²	51	43%	0.434	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.7	-10.8	176.5	-73.2	179.8	-166.6	171	12.9	113.6	T371 Q375 V377 D381 L385	T371-R379 VanDerWaalsContact CG2-CZ 3.42Å; T371-R379 PolarHBondContact OG1-NH1 3.01Å; T371-R379 PolarHBondContact OG1-NH2 3.42Å; Q375-R379 VanDerWaalsContact O-CB 3.31Å; Q375-R379 WeakPolarHBondContact O-CB 3.38Å; Q375-R379 WeakPolarHBondContact O-CG 3.28Å; Q375-R379 PolarHBondContact O-N 3.37Å; V377-R379 VanDerWaalsContact C-N 3.34Å; V377-R379 PolarHBondContact O-N 2.89Å; R379-D381 VanDerWaalsContact C-N 3.29Å; R379-D381 PolarHBondContact O-N 3.5Å; R379-L385 HydrophobicContact CB-CD1 4.04Å; R379-L385 HydrophobicContact CG-CD1 4.13Å; R379-L385 HydrophobicContact CG-CD2 4.44Å
380	A	78.1	Confident	84.9	Confident	6 Å²	6	53 Å²	53	5%	0.05	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-33.4	175.6	0	0	0	0	0	112.6	V377 L378 T382 R461 M465	V377-A380 WeakPolarHBondContact O-CB 3.2Å; V377-A380 PolarHBondContact O-N 3.24Å; V377-A380 VanDerWaalsContact O-N 3.13Å; L378-A380 PolarHBondContact O-N 3.49Å; A380-T382 VanDerWaalsContact C-N 3.33Å; A380-T382 PolarHBondContact O-N 3.04Å; A380-R461 HydrophobicContact CB-CB 4.35Å; A380-R461 HydrophobicContact CB-CG 3.55Å; A380-M465 HydrophobicContact CB-CG 3.71Å; A380-M465 HydrophobicContact CB-SD 3.86Å
381	D	80.1	Confident	84.8	Confident	44 Å²	44	48.6 Å²	48.6	24%	0.235	24%	0.236	C	C	.	.			trans	-78.1	86	172.2	-174.6	-9.3	0	0	0	110.2	L378 R379 K383 R384 L385 F464	L378-D381 PolarHBondContact O-N 3.05Å; R379-D381 VanDerWaalsContact C-N 3.29Å; R379-D381 PolarHBondContact O-N 3.5Å; D381-K383 PolarHBondContact O-N 2.79Å; D381-K383 WeakPolarHBondContact OD1-CA 3.47Å; D381-K383 WeakPolarHBondContact OD1-CB 3.36Å; D381-K383 PolarHBondContact OD1-N 2.86Å; D381-R384 HydrophobicContact CB-CB 3.93Å; D381-R384 PolarHBondContact O-N 2.96Å; D381-R384 PolarHBondContact OD1-N 3.14Å; D381-R384 VanDerWaalsContact OD2-CB 3.23Å; D381-R384 WeakPolarHBondContact OD2-CB 3.37Å; D381-L385 PolarHBondContact O-N 3.17Å; D381-L385 VanDerWaalsContact O-N 3.08Å; D381-F464 HydrophobicContact CB-CE1 4.05Å
382	T	78.4	Confident	84.8	Confident	82 Å²	82	55.7 Å²	55.7	50%	0.503	26%	0.261	S	S	.	.	H	α-helix	trans	-67.3	-15.8	176.1	70.1	0	0	0	0	113.2	A380 K386	A380-T382 VanDerWaalsContact C-N 3.33Å; A380-T382 PolarHBondContact O-N 3.04Å; T382-K386 VanDerWaalsContact O-CD 3.28Å; T382-K386 WeakPolarHBondContact O-CD 3.37Å; T382-K386 WeakPolarHBondContact O-CG 3.23Å; T382-K386 PolarHBondContact O-N 3.08Å
383	K	77.3	Confident	84.7	Confident	106 Å²	106	59.2 Å²	59.2	46%	0.461	28%	0.275	S	S	.	.	H	α-helix	trans	-76.2	-50.2	173.5	-169.4	-174.4	178.7	-170.1	0	109.7	D381 L385 K386 L387 E415	D381-K383 PolarHBondContact O-N 2.79Å; D381-K383 WeakPolarHBondContact OD1-CA 3.47Å; D381-K383 WeakPolarHBondContact OD1-CB 3.36Å; D381-K383 PolarHBondContact OD1-N 2.86Å; K383-L385 VanDerWaalsContact C-N 3.32Å; K383-L385 PolarHBondContact O-N 3.47Å; K383-K386 PolarHBondContact O-N 3.38Å; K383-K386 VanDerWaalsContact O-N 3.14Å; K383-L387 HydrophobicContact CG-CD1 4.23Å; K383-L387 WeakPolarHBondContact O-CG 3.23Å; K383-L387 PolarHBondContact O-N 2.85Å; K383-E415 WeakPolarHBondContact CE-OE2 3.23Å; K383-E415 IonicContact NZ-OE2 2.66Å; K383-E415 PolarHBondContact NZ-OE2 3.24Å
384	R	79	Confident	84.7	Confident	32 Å²	32	60 Å²	60	12%	0.121	28%	0.279	C	S	.	.	H	α-helix	trans	-52.7	-47.7	171.9	176.7	-141.4	-179.7	73.1	4.2	111.6	D381 K386 L387 L388 A421	D381-R384 HydrophobicContact CB-CB 3.93Å; D381-R384 PolarHBondContact O-N 2.96Å; D381-R384 PolarHBondContact OD1-N 3.14Å; D381-R384 VanDerWaalsContact OD2-CB 3.23Å; D381-R384 WeakPolarHBondContact OD2-CB 3.37Å; R384-K386 VanDerWaalsContact C-N 3.33Å; R384-K386 PolarHBondContact O-N 2.91Å; R384-L387 PolarHBondContact O-N 3Å; R384-L388 HydrophobicContact CG-CD1 3.88Å; R384-L388 HydrophobicContact CG-CG 4.32Å; R384-L388 WeakPolarHBondContact O-CG 3.39Å; R384-L388 PolarHBondContact O-N 3.39Å; R384-A421 VanDerWaalsContact NH1-CA 3.3Å; R384-A421 PolarHBondContact NH1-O 3.01Å; R384-A421 PolarHBondContact NH2-O 3.41Å
385	L	81.1	Confident	84.6	Confident	72 Å²	72	63 Å²	63	38%	0.377	29%	0.293	S	S	.	.	H	α-helix	trans	-59.4	-42.2	178.6	-72	-176.7	0	0	0	112.6	R379 D381 K383 E389	R379-L385 HydrophobicContact CB-CD1 4.04Å; R379-L385 HydrophobicContact CG-CD1 4.13Å; R379-L385 HydrophobicContact CG-CD2 4.44Å; D381-L385 PolarHBondContact O-N 3.17Å; D381-L385 VanDerWaalsContact O-N 3.08Å; K383-L385 VanDerWaalsContact C-N 3.32Å; K383-L385 PolarHBondContact O-N 3.47Å; L385-E389 WeakPolarHBondContact O-CB 3.33Å; L385-E389 PolarHBondContact O-N 2.93Å
386	K	85.3	Confident	84.6	Confident	134 Å²	134	60 Å²	60	58%	0.583	29%	0.285	S	S	*	.	H	α-helix	trans	-64.3	-43.1	176.1	-72.6	164.8	-173.4	168.8	0	111.7	T382 K383 R384 E389 Q390	T382-K386 VanDerWaalsContact O-CD 3.28Å; T382-K386 WeakPolarHBondContact O-CD 3.37Å; T382-K386 WeakPolarHBondContact O-CG 3.23Å; T382-K386 PolarHBondContact O-N 3.08Å; K383-K386 PolarHBondContact O-N 3.38Å; K383-K386 VanDerWaalsContact O-N 3.14Å; R384-K386 VanDerWaalsContact C-N 3.33Å; R384-K386 PolarHBondContact O-N 2.91Å; K386-E389 PolarHBondContact O-N 3.28Å; K386-Q390 WeakPolarHBondContact O-CB 3.47Å; K386-Q390 VanDerWaalsContact O-CG 3.26Å; K386-Q390 WeakPolarHBondContact O-CG 3.48Å; K386-Q390 PolarHBondContact O-N 3.04Å
387	L	84.6	Confident	84.6	Confident	5 Å²	5	63 Å²	63	3%	0.026	30%	0.296	C	S	.	.	H	α-helix	trans	-64	-42.6	177.6	-71	170.2	0	0	0	112.2	K383 R384 Q390 E391 V412 E415 L416 T419	K383-L387 HydrophobicContact CG-CD1 4.23Å; K383-L387 WeakPolarHBondContact O-CG 3.23Å; K383-L387 PolarHBondContact O-N 2.85Å; R384-L387 PolarHBondContact O-N 3Å; L387-Q390 PolarHBondContact O-N 3.16Å; L387-E391 WeakPolarHBondContact O-CB 3.5Å; L387-E391 PolarHBondContact O-N 3.09Å; L387-V412 HydrophobicContact CD2-CG1 4.43Å; L387-V412 HydrophobicContact CD2-CG2 4.44Å; L387-V412 WeakPolarHBondContact O-CG1 3.3Å; L387-E415 HydrophobicContact CD1-CB 3.81Å; L387-E415 HydrophobicContact CD2-CB 3.91Å; L387-L416 HydrophobicContact CB-CD2 3.66Å; L387-L416 HydrophobicContact CB-CG 4Å; L387-L416 HydrophobicContact CD1-CD2 4.34Å; L387-T419 HydrophobicContact CD1-CG2 4.43Å
388	L	84.9	Confident	84.6	Confident	58 Å²	58	66.3 Å²	66.3	30%	0.304	31%	0.313	S	S	.	.	H	α-helix	trans	-68	-35.7	177.2	-69.3	173.9	0	0	0	112.7	R384 E391 R392 L416	R384-L388 HydrophobicContact CG-CD1 3.88Å; R384-L388 HydrophobicContact CG-CG 4.32Å; R384-L388 WeakPolarHBondContact O-CG 3.39Å; R384-L388 PolarHBondContact O-N 3.39Å; L388-E391 WeakPolarHBondContact CD2-OE2 3.28Å; L388-E391 WeakPolarHBondContact O-CB 3.26Å; L388-R392 WeakPolarHBondContact O-CB 3.4Å; L388-R392 PolarHBondContact O-N 3.43Å; L388-L416 HydrophobicContact CD2-CD1 4.17Å; L388-L416 HydrophobicContact CD2-CD2 3.78Å; L388-L416 HydrophobicContact CG-CD2 4.02Å
389	E	86.7	Confident	84.6	Confident	71 Å²	71	73.6 Å²	73.6	33%	0.332	35%	0.347	S	S	.	.	H	α-helix	trans	-72.6	-35.9	174.5	179.3	56.4	-162.2	0	0	111.6	L385 K386 R392 Q393	L385-E389 WeakPolarHBondContact O-CB 3.33Å; L385-E389 PolarHBondContact O-N 2.93Å; K386-E389 PolarHBondContact O-N 3.28Å; E389-R392 VanDerWaalsContact CD-NH2 3.25Å; E389-R392 PolarHBondContact O-N 3.11Å; E389-R392 IonicContact OE1-CZ 2.68Å; E389-R392 IonicContact OE1-NE 2.62Å; E389-R392 IonicContact OE1-NH2 3.82Å; E389-R392 PolarHBondContact OE1-NH2 3.14Å; E389-R392 IonicContact OE2-CZ 2.84Å; E389-R392 VanDerWaalsContact OE2-CZ 3.28Å; E389-R392 IonicContact OE2-NE 2.77Å; E389-R392 PolarHBondContact OE2-NE 3.44Å; E389-R392 IonicContact OE2-NH2 2.89Å; E389-R392 PolarHBondContact OE2-NH2 2.77Å; E389-Q393 WeakPolarHBondContact O-CB 3.37Å; E389-Q393 VanDerWaalsContact O-CG 3.26Å; E389-Q393 WeakPolarHBondContact O-CG 3.43Å; E389-Q393 PolarHBondContact O-N 2.94Å; E389-Q393 PolarHBondContact OE1-NE2 3.28Å
390	Q	85.8	Confident	84.9	Confident	94 Å²	94	76.2 Å²	76.2	44%	0.439	36%	0.364	S	S	.	.	H	α-helix	trans	-64.7	-42.5	170.1	-76.2	173.2	-28.9	0	0	111.9	K386 L387 R392 Q393 L394 V412	K386-Q390 WeakPolarHBondContact O-CB 3.47Å; K386-Q390 VanDerWaalsContact O-CG 3.26Å; K386-Q390 WeakPolarHBondContact O-CG 3.48Å; K386-Q390 PolarHBondContact O-N 3.04Å; L387-Q390 PolarHBondContact O-N 3.16Å; Q390-R392 PolarHBondContact O-N 2.94Å; Q390-Q393 PolarHBondContact O-N 2.94Å; Q390-L394 VanDerWaalsContact O-CB 3.31Å; Q390-L394 WeakPolarHBondContact O-CB 3.45Å; Q390-L394 WeakPolarHBondContact O-CD1 3.34Å; Q390-L394 WeakPolarHBondContact O-CG 3.33Å; Q390-L394 PolarHBondContact O-N 3.48Å; Q390-V412 HydrophobicContact CB-CG2 4.4Å
391	E	87.3	Confident	85.2	Confident	39 Å²	39	78.6 Å²	78.6	18%	0.182	39%	0.389	C	S	.	.	H	α-helix	trans	-54.6	-52.4	173.8	-171.2	-160.1	153.9	0	0	110.3	L387 L388 Q393 L394 Q395 L409 V412 Y413 L416	L387-E391 WeakPolarHBondContact O-CB 3.5Å; L387-E391 PolarHBondContact O-N 3.09Å; L388-E391 WeakPolarHBondContact CD2-OE2 3.28Å; L388-E391 WeakPolarHBondContact O-CB 3.26Å; E391-Q393 PolarHBondContact O-N 3.16Å; E391-L394 PolarHBondContact O-N 3.5Å; E391-Q395 WeakPolarHBondContact O-CB 3.46Å; E391-Q395 VanDerWaalsContact O-CG 3.26Å; E391-Q395 WeakPolarHBondContact O-CG 3.36Å; E391-Q395 PolarHBondContact O-N 3.24Å; E391-Q395 PolarHBondContact OE1-NE2 3.07Å; E391-L409 HydrophobicContact CB-CD1 4.42Å; E391-L409 HydrophobicContact CG-CD1 3.81Å; E391-V412 HydrophobicContact CB-CG1 3.91Å; E391-Y413 HydrophobicContact CG-CE1 3.87Å; E391-L416 HydrophobicContact CB-CD1 4.22Å; E391-L416 HydrophobicContact CG-CD1 4.26Å; E391-L416 WeakPolarHBondContact OE2-CD1 3.44Å
392	R	87.9	Confident	85.3	Confident	159 Å²	159	79.3 Å²	79.3	60%	0.6	39%	0.393	S	S	*	.	H	α-helix	trans	-59.7	-41.3	178.6	-170.6	177.5	75.4	101.5	2.7	112.9	L388 E389 Q390 G396	L388-R392 WeakPolarHBondContact O-CB 3.4Å; L388-R392 PolarHBondContact O-N 3.43Å; E389-R392 VanDerWaalsContact CD-NH2 3.25Å; E389-R392 PolarHBondContact O-N 3.11Å; E389-R392 IonicContact OE1-CZ 2.68Å; E389-R392 IonicContact OE1-NE 2.62Å; E389-R392 IonicContact OE1-NH2 3.82Å; E389-R392 PolarHBondContact OE1-NH2 3.14Å; E389-R392 IonicContact OE2-CZ 2.84Å; E389-R392 VanDerWaalsContact OE2-CZ 3.28Å; E389-R392 IonicContact OE2-NE 2.77Å; E389-R392 PolarHBondContact OE2-NE 3.44Å; E389-R392 IonicContact OE2-NH2 2.89Å; E389-R392 PolarHBondContact OE2-NH2 2.77Å; Q390-R392 PolarHBondContact O-N 2.94Å; R392-G396 PolarHBondContact O-N 3.47Å; R392-G396 VanDerWaalsContact O-N 3.15Å
393	Q	89.4	Confident	85.4	Confident	101 Å²	101	82 Å²	82	47%	0.472	40%	0.404	S	S	.	.	H	α-helix	trans	-69.7	-42.3	178	-72.3	175	18	0	0	112.2	E389 Q390 E391 G396 Q397	E389-Q393 WeakPolarHBondContact O-CB 3.37Å; E389-Q393 VanDerWaalsContact O-CG 3.26Å; E389-Q393 WeakPolarHBondContact O-CG 3.43Å; E389-Q393 PolarHBondContact O-N 2.94Å; E389-Q393 PolarHBondContact OE1-NE2 3.28Å; Q390-Q393 PolarHBondContact O-N 2.94Å; E391-Q393 PolarHBondContact O-N 3.16Å; Q393-G396 PolarHBondContact O-N 2.93Å; Q393-Q397 WeakPolarHBondContact O-CG 3.11Å; Q393-Q397 PolarHBondContact O-N 2.85Å
394	L	88.6	Confident	85.6	Confident	17 Å²	17	80.8 Å²	80.8	9%	0.089	41%	0.406	C	S	.	.	H	α-helix	trans	-69.9	-37.6	178.5	-70.5	167.3	0	0	0	111.9	Q390 E391 Q397 L398 A405 K408 L409 V412	Q390-L394 VanDerWaalsContact O-CB 3.31Å; Q390-L394 WeakPolarHBondContact O-CB 3.45Å; Q390-L394 WeakPolarHBondContact O-CD1 3.34Å; Q390-L394 WeakPolarHBondContact O-CG 3.33Å; Q390-L394 PolarHBondContact O-N 3.48Å; E391-L394 PolarHBondContact O-N 3.5Å; L394-Q397 PolarHBondContact O-N 3.44Å; L394-L398 WeakPolarHBondContact O-CB 3.43Å; L394-L398 PolarHBondContact O-N 3.12Å; L394-A405 HydrophobicContact CD2-CB 4.06Å; L394-K408 HydrophobicContact CD1-CB 3.84Å; L394-K408 HydrophobicContact CD2-CB 3.81Å; L394-K408 HydrophobicContact CD2-CD 3.98Å; L394-L409 HydrophobicContact CB-CB 4.19Å; L394-L409 HydrophobicContact CB-CD1 4.12Å; L394-L409 HydrophobicContact CD1-CB 4.45Å; L394-V412 HydrophobicContact CD1-CG2 3.97Å
395	Q	88.1	Confident	85.7	Confident	66 Å²	66	79.3 Å²	79.3	31%	0.308	40%	0.4	S	S	.	.	H	α-helix	trans	-58.7	-48.6	170.3	-76.4	167.3	-6.5	0	0	110.9	E391 Q397 L398 E399 L409 Y413	E391-Q395 WeakPolarHBondContact O-CB 3.46Å; E391-Q395 VanDerWaalsContact O-CG 3.26Å; E391-Q395 WeakPolarHBondContact O-CG 3.36Å; E391-Q395 PolarHBondContact O-N 3.24Å; E391-Q395 PolarHBondContact OE1-NE2 3.07Å; Q395-Q397 VanDerWaalsContact C-N 3.27Å; Q395-Q397 PolarHBondContact O-N 3.4Å; Q395-L398 PolarHBondContact O-N 3.21Å; Q395-L398 VanDerWaalsContact O-N 3.16Å; Q395-E399 PolarHBondContact O-N 2.8Å; Q395-L409 HydrophobicContact CG-CD1 4.12Å; Q395-L409 HydrophobicContact CG-CD2 3.99Å; Q395-Y413 PolarHBondContact NE2-OH 2.92Å
396	G	89.4	Confident	85.7	Confident	21 Å²	21	77.9 Å²	77.9	22%	0.216	40%	0.399	C	S	.	.	H	α-helix	trans	-66.3	-23.2	177.5	0	0	0	0	0	114.9	R392 Q393 Q400	R392-G396 PolarHBondContact O-N 3.47Å; R392-G396 VanDerWaalsContact O-N 3.15Å; Q393-G396 PolarHBondContact O-N 2.93Å; G396-Q400 WeakPolarHBondContact O-CG 3.33Å; G396-Q400 PolarHBondContact O-NE2 3.25Å
397	Q	87.9	Confident	85.7	Confident	79 Å²	79	77.8 Å²	77.8	37%	0.369	40%	0.401	S	S	.	.	H	α-helix	trans	-79.6	-37.9	171.1	-74.2	168.6	-3	0	0	111.7	Q393 L394 Q395 Q400 G401 D402 A405	Q393-Q397 WeakPolarHBondContact O-CG 3.11Å; Q393-Q397 PolarHBondContact O-N 2.85Å; L394-Q397 PolarHBondContact O-N 3.44Å; Q395-Q397 VanDerWaalsContact C-N 3.27Å; Q395-Q397 PolarHBondContact O-N 3.4Å; Q397-Q400 CarbonylContact O-C 3.6Å; Q397-Q400 WeakPolarHBondContact O-CA 3.48Å; Q397-Q400 WeakPolarHBondContact O-CB 3.4Å; Q397-Q400 PolarHBondContact O-N 2.96Å; Q397-Q400 VanDerWaalsContact O-N 3.11Å; Q397-G401 PolarHBondContact O-N 2.97Å; Q397-D402 HydrophobicContact CB-CB 4.39Å; Q397-D402 PolarHBondContact O-N 3.05Å; Q397-D402 VanDerWaalsContact O-N 3.1Å; Q397-A405 HydrophobicContact CB-CB 3.97Å
398	L	87.4	Confident	85.7	Confident	69 Å²	69	82 Å²	82	36%	0.361	42%	0.419	S	S	.	.	H	α-helix	trans	-67.2	-38.7	175.6	-169.3	65.6	0	0	0	111.7	L394 Q395 Q400 G401 A405 A406 L409	L394-L398 WeakPolarHBondContact O-CB 3.43Å; L394-L398 PolarHBondContact O-N 3.12Å; Q395-L398 PolarHBondContact O-N 3.21Å; Q395-L398 VanDerWaalsContact O-N 3.16Å; L398-Q400 PolarHBondContact O-N 3.43Å; L398-G401 PolarHBondContact O-N 3.42Å; L398-A405 HydrophobicContact CB-CB 4.32Å; L398-A406 HydrophobicContact CD1-CB 4.05Å; L398-L409 HydrophobicContact CD2-CD2 4.03Å
399	E	87.8	Confident	85.9	Confident	176 Å²	176	79.7 Å²	79.7	82%	0.822	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.4	-23.8	170.3	-73.6	-173.1	160.7	0	0	113.2	Q395	Q395-E399 PolarHBondContact O-N 2.8Å
400	Q	87.2	Confident	85.9	Confident	170 Å²	170	82.7 Å²	82.7	79%	0.794	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.1	-1.5	173.9	-72.3	172.5	61.7	0	0	113.4	G396 Q397 L398	G396-Q400 WeakPolarHBondContact O-CG 3.33Å; G396-Q400 PolarHBondContact O-NE2 3.25Å; Q397-Q400 CarbonylContact O-C 3.6Å; Q397-Q400 WeakPolarHBondContact O-CA 3.48Å; Q397-Q400 WeakPolarHBondContact O-CB 3.4Å; Q397-Q400 PolarHBondContact O-N 2.96Å; Q397-Q400 VanDerWaalsContact O-N 3.11Å; L398-Q400 PolarHBondContact O-N 3.43Å
401	G	84.3	Confident	85.9	Confident	56 Å²	56	83.9 Å²	83.9	58%	0.577	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	89	22.3	175.5	0	0	0	0	0	116	Q397 L398 D403	Q397-G401 PolarHBondContact O-N 2.97Å; L398-G401 PolarHBondContact O-N 3.42Å; G401-D403 PolarHBondContact O-N 3Å
402	D	83.8	Confident	85.9	Confident	59 Å²	59	82.6 Å²	82.6	32%	0.316	42%	0.419	S	S	.	.			trans	-82.2	95.6	168.3	-176.7	-0.6	0	0	0	110.6	Q397 T404 A405	Q397-D402 HydrophobicContact CB-CB 4.39Å; Q397-D402 PolarHBondContact O-N 3.05Å; Q397-D402 VanDerWaalsContact O-N 3.1Å; D402-T404 PolarHBondContact O-N 3.43Å; D402-T404 VanDerWaalsContact O-N 3.13Å; D402-T404 WeakPolarHBondContact OD1-CA 3.48Å; D402-T404 VanDerWaalsContact OD1-CB 3.24Å; D402-T404 WeakPolarHBondContact OD1-CB 3.42Å; D402-T404 WeakPolarHBondContact OD1-CG2 3.46Å; D402-T404 PolarHBondContact OD1-N 2.97Å; D402-T404 PolarHBondContact OD1-OG1 3.4Å; D402-T404 PolarHBondContact OD2-OG1 3.4Å; D402-A405 HydrophobicContact CB-CB 4.38Å; D402-A405 VanDerWaalsContact O-CB 3.23Å; D402-A405 WeakPolarHBondContact O-CB 3.46Å; D402-A405 PolarHBondContact O-N 3.47Å
403	D	79.6	Confident	85.8	Confident	139 Å²	139	78.9 Å²	78.9	74%	0.743	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.7	-27.2	174.8	-69.4	-37.3	0	0	0	112.6	G401 A405 A406	G401-D403 PolarHBondContact O-N 3Å; D403-A405 PolarHBondContact O-N 2.81Å; D403-A406 WeakPolarHBondContact O-CB 3.25Å; D403-A406 PolarHBondContact O-N 2.89Å
404	T	82	Confident	85.6	Confident	80 Å²	80	79.8 Å²	79.8	49%	0.491	41%	0.41	S	S	.	.	H	α-helix	trans	-73.5	-11.9	177.8	85.3	0	0	0	0	112.7	D402 A406 K408	D402-T404 PolarHBondContact O-N 3.43Å; D402-T404 VanDerWaalsContact O-N 3.13Å; D402-T404 WeakPolarHBondContact OD1-CA 3.48Å; D402-T404 VanDerWaalsContact OD1-CB 3.24Å; D402-T404 WeakPolarHBondContact OD1-CB 3.42Å; D402-T404 WeakPolarHBondContact OD1-CG2 3.46Å; D402-T404 PolarHBondContact OD1-N 2.97Å; D402-T404 PolarHBondContact OD1-OG1 3.4Å; D402-T404 PolarHBondContact OD2-OG1 3.4Å; T404-A406 VanDerWaalsContact C-N 3.34Å; T404-K408 WeakPolarHBondContact O-CE 3.37Å; T404-K408 WeakPolarHBondContact O-CG 3.33Å; T404-K408 PolarHBondContact O-NZ 3.19Å; T404-K408 PolarHBondContact OG1-NZ 2.89Å
405	A	80.8	Confident	85.3	Confident	0 Å²	0	82.9 Å²	82.9	0%	0	42%	0.424	C	S	.	.	H	α-helix	trans	-72.1	-28.9	170.8	0	0	0	0	0	111.7	L394 Q397 L398 D402 D403 K408 L409	L394-A405 HydrophobicContact CD2-CB 4.06Å; Q397-A405 HydrophobicContact CB-CB 3.97Å; L398-A405 HydrophobicContact CB-CB 4.32Å; D402-A405 HydrophobicContact CB-CB 4.38Å; D402-A405 VanDerWaalsContact O-CB 3.23Å; D402-A405 WeakPolarHBondContact O-CB 3.46Å; D402-A405 PolarHBondContact O-N 3.47Å; D403-A405 PolarHBondContact O-N 2.81Å; A405-K408 PolarHBondContact O-N 2.82Å; A405-L409 VanDerWaalsContact O-CB 3.28Å; A405-L409 WeakPolarHBondContact O-CB 3.48Å; A405-L409 PolarHBondContact O-N 3.47Å
406	A	81.7	Confident	85	Confident	43 Å²	43	80.3 Å²	80.3	36%	0.355	41%	0.412	S	S	.	.	H	α-helix	trans	-62	-51.2	-175.7	0	0	0	0	0	113	L398 D403 T404 K408 L409 E410	L398-A406 HydrophobicContact CD1-CB 4.05Å; D403-A406 WeakPolarHBondContact O-CB 3.25Å; D403-A406 PolarHBondContact O-N 2.89Å; T404-A406 VanDerWaalsContact C-N 3.34Å; A406-K408 PolarHBondContact O-N 2.81Å; A406-L409 PolarHBondContact O-N 2.96Å; A406-L409 VanDerWaalsContact O-N 3.17Å; A406-E410 PolarHBondContact O-N 3.32Å
407	E	84.9	Confident	84.6	Confident	131 Å²	131	88.8 Å²	88.8	61%	0.612	44%	0.438	S	S	*	.	H	α-helix	trans	-62.4	-29.9	178.4	-65.1	-171.6	-179.3	0	0	113.3	K411	E407-K411 WeakPolarHBondContact O-CD 3.28Å; E407-K411 WeakPolarHBondContact O-CG 3.21Å
408	K	84.4	Confident	84.2	Confident	94 Å²	94	89.4 Å²	89.4	41%	0.409	46%	0.456	S	S	.	.	H	α-helix	trans	-76.4	-41.2	177.1	-57.7	-179.1	-163.4	99.7	0	110.1	L394 T404 A405 A406 K411 V412	L394-K408 HydrophobicContact CD1-CB 3.84Å; L394-K408 HydrophobicContact CD2-CB 3.81Å; L394-K408 HydrophobicContact CD2-CD 3.98Å; T404-K408 WeakPolarHBondContact O-CE 3.37Å; T404-K408 WeakPolarHBondContact O-CG 3.33Å; T404-K408 PolarHBondContact O-NZ 3.19Å; T404-K408 PolarHBondContact OG1-NZ 2.89Å; A405-K408 PolarHBondContact O-N 2.82Å; A406-K408 PolarHBondContact O-N 2.81Å; K408-K411 PolarHBondContact O-N 2.91Å; K408-V412 WeakPolarHBondContact O-CG2 3.46Å; K408-V412 PolarHBondContact O-N 3.32Å
409	L	88.1	Confident	83.4	Confident	10 Å²	10	88.4 Å²	88.4	5%	0.052	45%	0.453	C	S	.	.	H	α-helix	trans	-66.1	-37.2	178.6	-176.5	61.9	0	0	0	111.6	E391 L394 Q395 L398 A405 A406 V412 Y413	E391-L409 HydrophobicContact CB-CD1 4.42Å; E391-L409 HydrophobicContact CG-CD1 3.81Å; L394-L409 HydrophobicContact CB-CB 4.19Å; L394-L409 HydrophobicContact CB-CD1 4.12Å; L394-L409 HydrophobicContact CD1-CB 4.45Å; Q395-L409 HydrophobicContact CG-CD1 4.12Å; Q395-L409 HydrophobicContact CG-CD2 3.99Å; L398-L409 HydrophobicContact CD2-CD2 4.03Å; A405-L409 VanDerWaalsContact O-CB 3.28Å; A405-L409 WeakPolarHBondContact O-CB 3.48Å; A405-L409 PolarHBondContact O-N 3.47Å; A406-L409 PolarHBondContact O-N 2.96Å; A406-L409 VanDerWaalsContact O-N 3.17Å; L409-V412 PolarHBondContact O-N 3.26Å; L409-Y413 HydrophobicContact CD1-CE1 4.23Å; L409-Y413 HydrophobicContact CD1-CE2 4.01Å; L409-Y413 HydrophobicContact CD2-CE2 3.95Å; L409-Y413 HydrophobicContact CG-CD2 4.1Å; L409-Y413 HydrophobicContact CG-CE2 3.56Å; L409-Y413 WeakPolarHBondContact O-CD2 3.33Å; L409-Y413 PolarHBondContact O-N 3.11Å
410	E	86.8	Confident	82.7	Confident	133 Å²	133	81.4 Å²	81.4	62%	0.621	43%	0.428	S	S	*	.	H	α-helix	trans	-61.4	-46.5	173.5	-172.8	162.3	-135.6	0	0	111.8	A406 V412 Y413 E414	A406-E410 PolarHBondContact O-N 3.32Å; E410-V412 VanDerWaalsContact C-N 3.34Å; E410-V412 PolarHBondContact O-N 2.92Å; E410-Y413 CarbonylContact O-C 3.57Å; E410-Y413 WeakPolarHBondContact O-CB 3.5Å; E410-Y413 PolarHBondContact O-N 3.3Å; E410-Y413 VanDerWaalsContact O-N 3.12Å; E410-E414 PolarHBondContact O-N 2.78Å
411	K	87.2	Confident	81.8	Confident	119 Å²	119	74 Å²	74	52%	0.517	40%	0.396	S	S	.	.	H	α-helix	trans	-62	-38.7	174.2	-70.1	164.5	-175	153.9	0	112.5	E407 K408 E414 E415	E407-K411 WeakPolarHBondContact O-CD 3.28Å; E407-K411 WeakPolarHBondContact O-CG 3.21Å; K408-K411 PolarHBondContact O-N 2.91Å; K411-E414 PolarHBondContact O-N 3.24Å; K411-E415 PolarHBondContact O-N 2.79Å
412	V	87.3	Confident	81.1	Confident	12 Å²	12	76 Å²	76	7%	0.073	41%	0.407	C	S	.	.	H	α-helix	trans	-65.1	-39	173.5	169.3	0	0	0	0	111.1	L387 Q390 E391 L394 K408 L409 E410 E415 L416	L387-V412 HydrophobicContact CD2-CG1 4.43Å; L387-V412 HydrophobicContact CD2-CG2 4.44Å; L387-V412 WeakPolarHBondContact O-CG1 3.3Å; Q390-V412 HydrophobicContact CB-CG2 4.4Å; E391-V412 HydrophobicContact CB-CG1 3.91Å; L394-V412 HydrophobicContact CD1-CG2 3.97Å; K408-V412 WeakPolarHBondContact O-CG2 3.46Å; K408-V412 PolarHBondContact O-N 3.32Å; L409-V412 PolarHBondContact O-N 3.26Å; E410-V412 VanDerWaalsContact C-N 3.34Å; E410-V412 PolarHBondContact O-N 2.92Å; V412-E415 PolarHBondContact O-N 2.86Å; V412-L416 HydrophobicContact CG1-CD1 3.75Å; V412-L416 HydrophobicContact CG1-CG 4.29Å; V412-L416 WeakPolarHBondContact O-CB 3.36Å; V412-L416 VanDerWaalsContact O-CG 3.24Å; V412-L416 WeakPolarHBondContact O-CG 3.35Å; V412-L416 PolarHBondContact O-N 2.84Å
413	Y	86.1	Confident	81	Confident	81 Å²	81	76.3 Å²	76.3	32%	0.318	42%	0.418	S	S	.	.	H	α-helix	trans	-66.4	-35.6	172	-70.2	-42.3	0	0	0	112.9	E391 Q395 L409 E410 R417	E391-Y413 HydrophobicContact CG-CE1 3.87Å; Q395-Y413 PolarHBondContact NE2-OH 2.92Å; L409-Y413 HydrophobicContact CD1-CE1 4.23Å; L409-Y413 HydrophobicContact CD1-CE2 4.01Å; L409-Y413 HydrophobicContact CD2-CE2 3.95Å; L409-Y413 HydrophobicContact CG-CD2 4.1Å; L409-Y413 HydrophobicContact CG-CE2 3.56Å; L409-Y413 WeakPolarHBondContact O-CD2 3.33Å; L409-Y413 PolarHBondContact O-N 3.11Å; E410-Y413 CarbonylContact O-C 3.57Å; E410-Y413 WeakPolarHBondContact O-CB 3.5Å; E410-Y413 PolarHBondContact O-N 3.3Å; E410-Y413 VanDerWaalsContact O-N 3.12Å; Y413-R417 WeakPolarHBondContact O-CB 3.47Å; Y413-R417 WeakPolarHBondContact O-CG 3.48Å; Y413-R417 PolarHBondContact O-N 3.33Å
414	E	85.4	Confident	81.2	Confident	121 Å²	121	70.2 Å²	70.2	57%	0.565	39%	0.387	S	S	*	.	H	α-helix	trans	-62.6	-47	171.6	-70.2	-171.4	139.4	0	0	111.2	E410 K411 R417 A418	E410-E414 PolarHBondContact O-N 2.78Å; K411-E414 PolarHBondContact O-N 3.24Å; E414-R417 PolarHBondContact O-N 2.86Å; E414-A418 VanDerWaalsContact O-CB 3.32Å; E414-A418 WeakPolarHBondContact O-CB 3.31Å; E414-A418 PolarHBondContact O-N 2.96Å
415	E	82.1	Confident	81.4	Confident	82 Å²	82	70.4 Å²	70.4	38%	0.383	38%	0.382	S	S	.	.	H	α-helix	trans	-66.3	-36	176.4	-72.1	-154	-127.1	0	0	113.1	K383 L387 K411 V412 A418 T419	K383-E415 WeakPolarHBondContact CE-OE2 3.23Å; K383-E415 IonicContact NZ-OE2 2.66Å; K383-E415 PolarHBondContact NZ-OE2 3.24Å; L387-E415 HydrophobicContact CD1-CB 3.81Å; L387-E415 HydrophobicContact CD2-CB 3.91Å; K411-E415 PolarHBondContact O-N 2.79Å; V412-E415 PolarHBondContact O-N 2.86Å; E415-A418 PolarHBondContact O-N 3.42Å; E415-T419 WeakPolarHBondContact O-CB 3.38Å; E415-T419 WeakPolarHBondContact O-CG2 3.48Å; E415-T419 PolarHBondContact O-N 3.1Å; E415-T419 PolarHBondContact O-OG1 3.14Å
416	L	81.1	Confident	81.8	Confident	12 Å²	12	73.7 Å²	73.7	6%	0.063	41%	0.409	C	S	.	.	H	α-helix	trans	-69.6	-33.4	174.3	-74.5	168.8	0	0	0	112.5	L387 L388 E391 V412 T419 G420 A421	L387-L416 HydrophobicContact CB-CD2 3.66Å; L387-L416 HydrophobicContact CB-CG 4Å; L387-L416 HydrophobicContact CD1-CD2 4.34Å; L388-L416 HydrophobicContact CD2-CD1 4.17Å; L388-L416 HydrophobicContact CD2-CD2 3.78Å; L388-L416 HydrophobicContact CG-CD2 4.02Å; E391-L416 HydrophobicContact CB-CD1 4.22Å; E391-L416 HydrophobicContact CG-CD1 4.26Å; E391-L416 WeakPolarHBondContact OE2-CD1 3.44Å; V412-L416 HydrophobicContact CG1-CD1 3.75Å; V412-L416 HydrophobicContact CG1-CG 4.29Å; V412-L416 WeakPolarHBondContact O-CB 3.36Å; V412-L416 VanDerWaalsContact O-CG 3.24Å; V412-L416 WeakPolarHBondContact O-CG 3.35Å; V412-L416 PolarHBondContact O-N 2.84Å; L416-T419 WeakPolarHBondContact CA-OG1 3.36Å; L416-T419 PolarHBondContact O-OG1 2.85Å; L416-G420 PolarHBondContact O-N 3.08Å; L416-A421 HydrophobicContact CB-CB 4.17Å; L416-A421 HydrophobicContact CD2-CB 3.89Å; L416-A421 WeakPolarHBondContact O-CB 3.43Å; L416-A421 PolarHBondContact O-N 3.15Å
417	R	81.9	Confident	82.1	Confident	199 Å²	199	74.4 Å²	74.4	75%	0.751	40%	0.404	S	S	*	.	H	α-helix	trans	-69.8	-44.3	170.2	-73.5	169.7	-173.8	172.5	5.7	111.1	Y413 E414 T419 G420	Y413-R417 WeakPolarHBondContact O-CB 3.47Å; Y413-R417 WeakPolarHBondContact O-CG 3.48Å; Y413-R417 PolarHBondContact O-N 3.33Å; E414-R417 PolarHBondContact O-N 2.86Å; R417-T419 PolarHBondContact O-N 3.03Å; R417-G420 WeakPolarHBondContact O-CA 3.39Å; R417-G420 PolarHBondContact O-N 3.33Å
418	A	77.9	Confident	82.4	Confident	91 Å²	91	68.2 Å²	68.2	75%	0.752	38%	0.375	S	S	*	.	H	α-helix	trans	-65.9	-34.9	179.3	0	0	0	0	0	113.1	E414 E415 G420	E414-A418 VanDerWaalsContact O-CB 3.32Å; E414-A418 WeakPolarHBondContact O-CB 3.31Å; E414-A418 PolarHBondContact O-N 2.96Å; E415-A418 PolarHBondContact O-N 3.42Å; A418-G420 PolarHBondContact O-N 3.45Å
419	T	70.6	Confident	82.8	Confident	48 Å²	48	66.7 Å²	66.7	29%	0.294	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.3	1.4	170.5	52.7	0	0	0	0	113.4	L387 E415 L416 R417 A421	L387-T419 HydrophobicContact CD1-CG2 4.43Å; E415-T419 WeakPolarHBondContact O-CB 3.38Å; E415-T419 WeakPolarHBondContact O-CG2 3.48Å; E415-T419 PolarHBondContact O-N 3.1Å; E415-T419 PolarHBondContact O-OG1 3.14Å; L416-T419 WeakPolarHBondContact CA-OG1 3.36Å; L416-T419 PolarHBondContact O-OG1 2.85Å; R417-T419 PolarHBondContact O-N 3.03Å; T419-A421 VanDerWaalsContact C-N 3.34Å; T419-A421 PolarHBondContact O-N 3.43Å
420	G	73.9	Confident	83	Confident	30 Å²	30	72.9 Å²	72.9	31%	0.309	39%	0.39	S	S	.	.	T	Hydrogen-bonded Turn	trans	64	35.2	176	0	0	0	0	0	113.5	L416 R417 A418 A422 A423 A424	L416-G420 PolarHBondContact O-N 3.08Å; R417-G420 WeakPolarHBondContact O-CA 3.39Å; R417-G420 PolarHBondContact O-N 3.33Å; A418-G420 PolarHBondContact O-N 3.45Å; G420-A422 PolarHBondContact O-N 2.97Å; G420-A423 PolarHBondContact O-N 3.07Å; G420-A424 PolarHBondContact O-N 2.88Å; G420-A424 VanDerWaalsContact O-N 3.1Å
421	A	67.6	Low	83.3	Confident	13 Å²	13	66.6 Å²	66.6	11%	0.107	36%	0.36	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.2	-31.6	-161.6	0	0	0	0	0	115	R384 L416 T419	R384-A421 VanDerWaalsContact NH1-CA 3.3Å; R384-A421 PolarHBondContact NH1-O 3.01Å; R384-A421 PolarHBondContact NH2-O 3.41Å; L416-A421 HydrophobicContact CB-CB 4.17Å; L416-A421 HydrophobicContact CD2-CB 3.89Å; L416-A421 WeakPolarHBondContact O-CB 3.43Å; L416-A421 PolarHBondContact O-N 3.15Å; T419-A421 VanDerWaalsContact C-N 3.34Å; T419-A421 PolarHBondContact O-N 3.43Å
422	A	69.3	Low	83.6	Confident	99 Å²	99	60.9 Å²	60.9	82%	0.818	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.8	-36.4	174.6	0	0	0	0	0	113.5	G420 A424	G420-A422 PolarHBondContact O-N 2.97Å; A422-A424 VanDerWaalsContact C-N 3.31Å
423	A	83	Confident	83.8	Confident	66 Å²	66	62 Å²	62	55%	0.545	35%	0.346	S	S	.	.	H	α-helix	trans	-75.7	-21.1	178.5	0	0	0	0	0	112.8	G420 E425 A426 K427	G420-A423 PolarHBondContact O-N 3.07Å; A423-E425 PolarHBondContact O-N 2.76Å; A423-A426 PolarHBondContact O-N 3.06Å; A423-K427 PolarHBondContact O-N 2.79Å
424	A	83.4	Confident	84	Confident	11 Å²	11	58.3 Å²	58.3	9%	0.091	33%	0.332	C	S	.	.	H	α-helix	trans	-60.2	-36.7	-176.4	0	0	0	0	0	114.4	L378 G420 A422 K427 A428 F464	L378-A424 HydrophobicContact CD2-CB 4.22Å; G420-A424 PolarHBondContact O-N 2.88Å; G420-A424 VanDerWaalsContact O-N 3.1Å; A422-A424 VanDerWaalsContact C-N 3.31Å; A424-K427 PolarHBondContact O-N 3.33Å; A424-A428 WeakPolarHBondContact O-CB 3.36Å; A424-A428 PolarHBondContact O-N 2.96Å; A424-F464 HydrophobicContact CB-CE2 4.14Å; A424-F464 HydrophobicContact CB-CZ 4.08Å; A424-F464 WeakPolarHBondContact O-CE2 3.47Å
425	E	86.6	Confident	84.3	Confident	84 Å²	84	52.5 Å²	52.5	39%	0.393	31%	0.305	S	S	.	.	H	α-helix	trans	-67.9	-43.3	175.6	-177.6	172.3	168.9	0	0	111	V374 L378 A423 K427 A428 R429	V374-E425 HydrophobicContact CG2-CG 4.44Å; L378-E425 HydrophobicContact CD1-CB 4.2Å; L378-E425 HydrophobicContact CD1-CG 4.18Å; A423-E425 PolarHBondContact O-N 2.76Å; E425-K427 VanDerWaalsContact C-N 3.29Å; E425-K427 PolarHBondContact O-N 3.19Å; E425-A428 PolarHBondContact O-N 2.94Å; E425-R429 HydrophobicContact CG-CG 4.29Å; E425-R429 WeakPolarHBondContact O-CB 3.23Å; E425-R429 WeakPolarHBondContact O-CG 3.13Å; E425-R429 PolarHBondContact O-N 3.07Å; E425-R429 IonicContact OE1-CZ 3.32Å; E425-R429 IonicContact OE1-NE 3.38Å; E425-R429 PolarHBondContact OE1-NE 3.31Å; E425-R429 IonicContact OE1-NH2 3.46Å; E425-R429 PolarHBondContact OE1-NH2 3.46Å
426	A	88.8	Confident	84.6	Confident	68 Å²	68	50.1 Å²	50.1	56%	0.562	30%	0.302	S	S	*	.	H	α-helix	trans	-60.1	-40	174.2	0	0	0	0	0	111.6	A423 R430	A423-A426 PolarHBondContact O-N 3.06Å; A426-R430 WeakPolarHBondContact O-CB 3.37Å; A426-R430 PolarHBondContact O-N 3Å
427	K	88.8	Confident	85.1	Confident	59 Å²	59	49.6 Å²	49.6	26%	0.257	30%	0.3	S	S	.	.	H	α-helix	trans	-61.5	-48.6	172.7	-173.4	-172.5	173.9	-167.4	0	111.8	A423 A424 E425 R429 R430 I431 F464 E466	A423-K427 PolarHBondContact O-N 2.79Å; A424-K427 PolarHBondContact O-N 3.33Å; E425-K427 VanDerWaalsContact C-N 3.29Å; E425-K427 PolarHBondContact O-N 3.19Å; K427-R429 PolarHBondContact O-N 3.13Å; K427-R430 PolarHBondContact O-N 3.5Å; K427-I431 HydrophobicContact CG-CD1 3.99Å; K427-I431 WeakPolarHBondContact O-CG1 3.48Å; K427-I431 PolarHBondContact O-N 3.5Å; K427-F464 HydrophobicContact CD-CD2 4.1Å; K427-F464 HydrophobicContact CD-CE2 4.29Å; K427-F464 HydrophobicContact CG-CD2 4.35Å; K427-F464 PolarHBondContact NZ-O 2.99Å; K427-F464 VanDerWaalsContact NZ-O 3.17Å; K427-E466 IonicContact NZ-OE1 3.34Å; K427-E466 PolarHBondContact NZ-OE1 3.23Å
428	A	90.9	Very high	85.4	Confident	0 Å²	0	43.7 Å²	43.7	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-62.3	-41.6	179.2	0	0	0	0	0	112.1	V374 V377 L378 A424 E425 I431 L432 F464	V374-A428 HydrophobicContact CG2-CB 4.37Å; V377-A428 HydrophobicContact CB-CB 4.43Å; V377-A428 HydrophobicContact CG1-CB 3.82Å; L378-A428 HydrophobicContact CD2-CB 4.07Å; L378-A428 HydrophobicContact CG-CB 4.1Å; A424-A428 WeakPolarHBondContact O-CB 3.36Å; A424-A428 PolarHBondContact O-N 2.96Å; E425-A428 PolarHBondContact O-N 2.94Å; A428-I431 PolarHBondContact O-N 2.76Å; A428-L432 WeakPolarHBondContact O-CB 3.28Å; A428-L432 WeakPolarHBondContact O-CG 3.47Å; A428-L432 PolarHBondContact O-N 3.36Å; A428-F464 HydrophobicContact CB-CD2 4.16Å; A428-F464 HydrophobicContact CB-CE2 4.2Å
429	R	92.2	Very high	86	Confident	63 Å²	63	43.8 Å²	43.8	24%	0.238	28%	0.276	C	S	.	.	H	α-helix	trans	-67.1	-38.8	175.5	-69.1	-172.7	-178.6	-79.1	-0.2	112.7	V374 E425 K427 L432 A433 Q442 N443	V374-R429 HydrophobicContact CG2-CG 3.78Å; E425-R429 HydrophobicContact CG-CG 4.29Å; E425-R429 WeakPolarHBondContact O-CB 3.23Å; E425-R429 WeakPolarHBondContact O-CG 3.13Å; E425-R429 PolarHBondContact O-N 3.07Å; E425-R429 IonicContact OE1-CZ 3.32Å; E425-R429 IonicContact OE1-NE 3.38Å; E425-R429 PolarHBondContact OE1-NE 3.31Å; E425-R429 IonicContact OE1-NH2 3.46Å; E425-R429 PolarHBondContact OE1-NH2 3.46Å; K427-R429 PolarHBondContact O-N 3.13Å; R429-L432 PolarHBondContact O-N 2.88Å; R429-A433 VanDerWaalsContact O-CB 3.31Å; R429-A433 WeakPolarHBondContact O-CB 3.11Å; R429-A433 PolarHBondContact O-N 2.87Å; R429-Q442 VanDerWaalsContact CG-OE1 3.31Å; R429-N443 PolarHBondContact NH1-OD1 2.84Å; R429-N443 VanDerWaalsContact NH1-OD1 3.07Å; R429-N443 PolarHBondContact NH2-OD1 3.42Å
430	R	92.4	Very high	87	Confident	139 Å²	139	47.4 Å²	47.4	53%	0.525	29%	0.29	S	S	.	.	H	α-helix	trans	-61.8	-47.7	173.3	177.8	177.2	171.9	-170.3	-1.9	112	A426 K427 L432 A433 G434 E834	A426-R430 WeakPolarHBondContact O-CB 3.37Å; A426-R430 PolarHBondContact O-N 3Å; K427-R430 PolarHBondContact O-N 3.5Å; R430-L432 VanDerWaalsContact C-N 3.33Å; R430-L432 PolarHBondContact O-N 3.5Å; R430-A433 PolarHBondContact O-N 2.9Å; R430-G434 PolarHBondContact O-N 2.84Å; R430-E834 IonicContact CZ-OE1 3.19Å; R430-E834 IonicContact CZ-OE2 3.95Å; R430-E834 IonicContact NE-OE1 2.8Å; R430-E834 PolarHBondContact NE-OE1 2.99Å; R430-E834 IonicContact NE-OE2 3.7Å; R430-E834 IonicContact NH2-OE1 3.91Å; R430-E834 PolarHBondContact NH2-OE1 3.02Å; R430-E834 IonicContact NH2-OE2 3.82Å; R430-E834 PolarHBondContact NH2-OE2 3.27Å
431	I	92.9	Very high	87.7	Confident	1 Å²	1	47 Å²	47	1%	0.005	28%	0.28	C	S	.	.	H	α-helix	trans	-61.6	-42.4	177.4	-66.8	167.9	0	0	0	110.9	K427 A428 L435 A460 L463 F464 W486 Y490	K427-I431 HydrophobicContact CG-CD1 3.99Å; K427-I431 WeakPolarHBondContact O-CG1 3.48Å; K427-I431 PolarHBondContact O-N 3.5Å; A428-I431 PolarHBondContact O-N 2.76Å; I431-L435 HydrophobicContact CG2-CD1 4.09Å; I431-L435 WeakPolarHBondContact O-CG 3.42Å; I431-L435 PolarHBondContact O-N 3.13Å; I431-L435 VanDerWaalsContact O-N 3.13Å; I431-A460 HydrophobicContact CG2-CB 3.81Å; I431-L463 HydrophobicContact CD1-CB 4.44Å; I431-L463 HydrophobicContact CG2-CB 4.25Å; I431-L463 HydrophobicContact CG2-CD1 4.27Å; I431-F464 HydrophobicContact CD1-CB 4.1Å; I431-F464 HydrophobicContact CD1-CD2 4.49Å; I431-W486 HydrophobicContact CB-CH2 4.15Å; I431-W486 HydrophobicContact CG1-CH2 4.09Å; I431-W486 HydrophobicContact CG1-CZ2 4.44Å; I431-W486 HydrophobicContact CG2-CH2 4.01Å; I431-Y490 HydrophobicContact CG1-CE2 4.29Å
432	L	92.6	Very high	88.9	Confident	0 Å²	0	46.9 Å²	46.9	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-66.8	-42.8	176.4	-75.3	169.9	0	0	0	112.1	V374 V377 A428 R429 R430 G434 L435 G436 F437 Q442 A460	V374-L432 HydrophobicContact CB-CD1 4.06Å; V374-L432 HydrophobicContact CG2-CD1 4.42Å; V377-L432 HydrophobicContact CG2-CD1 4.13Å; V377-L432 HydrophobicContact CG2-CD2 4.15Å; V377-L432 HydrophobicContact CG2-CG 4.26Å; A428-L432 WeakPolarHBondContact O-CB 3.28Å; A428-L432 WeakPolarHBondContact O-CG 3.47Å; A428-L432 PolarHBondContact O-N 3.36Å; R429-L432 PolarHBondContact O-N 2.88Å; R430-L432 VanDerWaalsContact C-N 3.33Å; R430-L432 PolarHBondContact O-N 3.5Å; L432-G434 PolarHBondContact O-N 3.31Å; L432-L435 CarbonylContact O-C 3.59Å; L432-L435 PolarHBondContact O-N 3.48Å; L432-G436 PolarHBondContact O-N 2.95Å; L432-F437 HydrophobicContact CB-CB 4.06Å; L432-F437 HydrophobicContact CB-CD2 4.32Å; L432-F437 HydrophobicContact CB-CG 4.31Å; L432-F437 HydrophobicContact CD2-CD1 4.32Å; L432-F437 HydrophobicContact CD2-CD2 3.77Å; L432-F437 HydrophobicContact CD2-CE1 4.39Å; L432-F437 HydrophobicContact CD2-CE2 3.82Å; L432-F437 HydrophobicContact CD2-CG 4.02Å; L432-F437 HydrophobicContact CD2-CZ 4.15Å; L432-F437 WeakPolarHBondContact O-CB 3.38Å; L432-F437 VanDerWaalsContact O-CD2 3.31Å; L432-F437 WeakPolarHBondContact O-CD2 3.43Å; L432-F437 PolarHBondContact O-N 2.78Å; L432-Q442 HydrophobicContact CB-CG 4.01Å; L432-Q442 HydrophobicContact CD1-CG 4.33Å; L432-A460 HydrophobicContact CD2-CB 3.67Å; L432-A460 HydrophobicContact CG-CB 4.24Å
433	A	92.2	Very high	90	Very high	35 Å²	35	46.1 Å²	46.1	29%	0.289	26%	0.259	S	S	.	.	H	α-helix	trans	-60.1	-45.9	176.3	0	0	0	0	0	112.1	R429 R430 L435 G436	R429-A433 VanDerWaalsContact O-CB 3.31Å; R429-A433 WeakPolarHBondContact O-CB 3.11Å; R429-A433 PolarHBondContact O-N 2.87Å; R430-A433 PolarHBondContact O-N 2.9Å; A433-L435 VanDerWaalsContact C-N 3.26Å; A433-L435 PolarHBondContact O-N 3.3Å; A433-G436 WeakPolarHBondContact O-CA 3.46Å; A433-G436 PolarHBondContact O-N 3.37Å
434	G	89.8	Confident	90.4	Very high	3 Å²	3	46.4 Å²	46.4	3%	0.031	25%	0.246	C	C	.	.	H	α-helix	trans	-64.7	-25.6	175.9	0	0	0	0	0	114.6	R430 L432 G436 W486	R430-G434 PolarHBondContact O-N 2.84Å; L432-G434 PolarHBondContact O-N 3.31Å; G434-G436 VanDerWaalsContact C-N 3.28Å; G434-W486 VanDerWaalsContact CA-CD2 3.48Å; G434-W486 VanDerWaalsContact CA-CG 3.47Å; G434-W486 WeakPolarHBondContact O-CB 3.29Å
435	L	91.2	Very high	90.9	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	25%	0.25	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88	12.2	170.5	-66.4	171.6	0	0	0	113.5	I431 L432 A433 F437 R456 L459 A460 L463 L479 A483 W486	I431-L435 HydrophobicContact CG2-CD1 4.09Å; I431-L435 WeakPolarHBondContact O-CG 3.42Å; I431-L435 PolarHBondContact O-N 3.13Å; I431-L435 VanDerWaalsContact O-N 3.13Å; L432-L435 CarbonylContact O-C 3.59Å; L432-L435 PolarHBondContact O-N 3.48Å; A433-L435 VanDerWaalsContact C-N 3.26Å; A433-L435 PolarHBondContact O-N 3.3Å; L435-F437 HydrophobicContact CB-CD2 4.32Å; L435-F437 HydrophobicContact CB-CE2 4.36Å; L435-R456 PolarHBondContact O-NH1 2.79Å; L435-L459 HydrophobicContact CD1-CD2 4.41Å; L435-L459 HydrophobicContact CD1-CG 4.36Å; L435-L459 HydrophobicContact CD2-CD2 3.93Å; L435-A460 HydrophobicContact CD1-CB 3.79Å; L435-L463 HydrophobicContact CD1-CD1 4.38Å; L435-L479 HydrophobicContact CD2-CD2 4.19Å; L435-A483 HydrophobicContact CD2-CB 4.4Å; L435-W486 HydrophobicContact CD2-CE3 4.09Å; L435-W486 HydrophobicContact CD2-CZ3 4.08Å; L435-W486 HydrophobicContact CG-CE3 4.14Å; L435-W486 HydrophobicContact CG-CZ3 3.9Å
436	G	89.2	Confident	91	Very high	31 Å²	31	43.1 Å²	43.1	32%	0.32	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	90	12.6	172.5	0	0	0	0	0	116.3	L432 A433 G434 W453	L432-G436 PolarHBondContact O-N 2.95Å; A433-G436 WeakPolarHBondContact O-CA 3.46Å; A433-G436 PolarHBondContact O-N 3.37Å; G434-G436 VanDerWaalsContact C-N 3.28Å; G436-W453 WeakPolarHBondContact O-CH2 3.18Å
437	F	90.9	Very high	91	Very high	2 Å²	2	44.1 Å²	44.1	1%	0.009	22%	0.224	C	C	.	.			trans	-88.8	111.1	177.1	-65.7	-109.6	0	0	0	111.5	A373 L432 L435 M441 Q442 F449 W453 R456 V457	A373-F437 HydrophobicContact CB-CD1 4.46Å; A373-F437 HydrophobicContact CB-CE1 4.29Å; L432-F437 HydrophobicContact CB-CB 4.06Å; L432-F437 HydrophobicContact CB-CD2 4.32Å; L432-F437 HydrophobicContact CB-CG 4.31Å; L432-F437 HydrophobicContact CD2-CD1 4.32Å; L432-F437 HydrophobicContact CD2-CD2 3.77Å; L432-F437 HydrophobicContact CD2-CE1 4.39Å; L432-F437 HydrophobicContact CD2-CE2 3.82Å; L432-F437 HydrophobicContact CD2-CG 4.02Å; L432-F437 HydrophobicContact CD2-CZ 4.15Å; L432-F437 WeakPolarHBondContact O-CB 3.38Å; L432-F437 VanDerWaalsContact O-CD2 3.31Å; L432-F437 WeakPolarHBondContact O-CD2 3.43Å; L432-F437 PolarHBondContact O-N 2.78Å; L435-F437 HydrophobicContact CB-CD2 4.32Å; L435-F437 HydrophobicContact CB-CE2 4.36Å; F437-M441 HydrophobicContact CB-CB 4.22Å; F437-M441 HydrophobicContact CD1-CB 4.08Å; F437-Q442 HydrophobicContact CB-CG 3.97Å; F437-Q442 PolarHBondContact O-NE2 2.79Å; F437-F449 HydrophobicContact CD1-CE1 4.07Å; F437-F449 AromaticContact CD1-CZ 3.99Å; F437-F449 HydrophobicContact CD1-CZ 3.99Å; F437-F449 HydrophobicContact CE1-CD1 4.38Å; F437-F449 AromaticContact CE1-CE1 3.79Å; F437-F449 HydrophobicContact CE1-CE1 3.79Å; F437-F449 HydrophobicContact CE1-CE2 4.5Å; F437-F449 AromaticContact CE1-CZ 3.85Å; F437-F449 HydrophobicContact CE1-CZ 3.85Å; F437-W453 HydrophobicContact CD1-CE3 4.31Å; F437-W453 HydrophobicContact CD1-CZ3 4.44Å; F437-W453 HydrophobicContact CD2-CE3 4.17Å; F437-W453 AromaticContact CD2-CZ3 3.87Å; F437-W453 HydrophobicContact CD2-CZ3 3.87Å; F437-W453 AromaticContact CE1-CE3 3.9Å; F437-W453 HydrophobicContact CE1-CE3 3.9Å; F437-W453 HydrophobicContact CE1-CZ3 4.44Å; F437-W453 AromaticContact CE2-CE3 3.77Å; F437-W453 HydrophobicContact CE2-CE3 3.77Å; F437-W453 AromaticContact CE2-CZ3 3.89Å; F437-W453 HydrophobicContact CE2-CZ3 3.89Å; F437-W453 HydrophobicContact CG-CE3 4.43Å; F437-W453 HydrophobicContact CG-CZ3 4.17Å; F437-W453 AromaticContact CZ-CE3 3.62Å; F437-W453 HydrophobicContact CZ-CE3 3.62Å; F437-W453 HydrophobicContact CZ-CZ3 4.18Å; F437-R456 HydrophobicContact CE2-CB 3.68Å; F437-R456 HydrophobicContact CZ-CB 3.96Å; F437-V457 HydrophobicContact CE1-CG2 3.73Å; F437-V457 HydrophobicContact CZ-CG2 3.49Å; F437-V457 VanDerWaalsContact CZ-CG2 3.49Å
438	D	89.9	Confident	90.9	Very high	74 Å²	74	48.1 Å²	48.1	40%	0.396	24%	0.242	S	C	.	.			trans	-62.6	166.8	169.3	76.5	39.5	0	0	0	112.5	E440 M441 Q442	D438-E440 PolarHBondContact O-N 3.28Å; D438-E440 VanDerWaalsContact OD1-CA 3.3Å; D438-E440 WeakPolarHBondContact OD1-CA 3.21Å; D438-E440 VanDerWaalsContact OD1-CB 3.25Å; D438-E440 WeakPolarHBondContact OD1-CB 3.43Å; D438-E440 PolarHBondContact OD1-N 2.95Å; D438-M441 PolarHBondContact O-N 2.74Å; D438-M441 WeakPolarHBondContact OD1-CG 3.46Å; D438-M441 PolarHBondContact OD1-N 3.11Å; D438-M441 VanDerWaalsContact OD2-SD 3.37Å; D438-Q442 WeakPolarHBondContact O-CG 3.4Å; D438-Q442 PolarHBondContact O-N 2.91Å
439	P	90.3	Very high	90.7	Very high	93 Å²	93	48.8 Å²	48.8	60%	0.604	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.9	-20.1	-179.3	-25.3	36.3	0	0	0	115.6	N443	P439-N443 PolarHBondContact O-ND2 3.37Å
440	E	90.8	Very high	90.3	Very high	125 Å²	125	49.3 Å²	49.3	58%	0.584	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.3	-48.4	171.9	-159.8	-140.6	108	0	0	109.8	D438 Q442 N443 R444	D438-E440 PolarHBondContact O-N 3.28Å; D438-E440 VanDerWaalsContact OD1-CA 3.3Å; D438-E440 WeakPolarHBondContact OD1-CA 3.21Å; D438-E440 VanDerWaalsContact OD1-CB 3.25Å; D438-E440 WeakPolarHBondContact OD1-CB 3.43Å; D438-E440 PolarHBondContact OD1-N 2.95Å; E440-Q442 PolarHBondContact O-N 2.94Å; E440-N443 CarbonylContact O-C 3.48Å; E440-N443 PolarHBondContact O-N 2.87Å; E440-R444 PolarHBondContact O-N 3.39Å; E440-R444 IonicContact OE1-CZ 3.6Å; E440-R444 IonicContact OE1-NE 3.35Å; E440-R444 PolarHBondContact OE1-NE 2.92Å; E440-R444 IonicContact OE1-NH2 3.13Å; E440-R444 PolarHBondContact OE1-NH2 3.27Å; E440-R444 IonicContact OE2-NH2 3.74Å
441	M	89.3	Confident	89.7	Confident	20 Å²	20	43.6 Å²	43.6	10%	0.099	24%	0.242	C	C	.	.	G	3₁₀ helix	trans	-60	-40.6	177.5	-69.4	171.3	68.1	0	0	112.3	F437 D438 N443 R444 F449 W453	F437-M441 HydrophobicContact CB-CB 4.22Å; F437-M441 HydrophobicContact CD1-CB 4.08Å; D438-M441 PolarHBondContact O-N 2.74Å; D438-M441 WeakPolarHBondContact OD1-CG 3.46Å; D438-M441 PolarHBondContact OD1-N 3.11Å; D438-M441 VanDerWaalsContact OD2-SD 3.37Å; M441-N443 PolarHBondContact O-N 2.83Å; M441-R444 WeakPolarHBondContact O-CB 3.42Å; M441-R444 PolarHBondContact O-N 3.17Å; M441-R444 VanDerWaalsContact O-N 3.08Å; M441-F449 HydrophobicContact CB-CE1 4.18Å; M441-F449 HydrophobicContact CB-CZ 3.96Å; M441-F449 HydrophobicContact CE-CE1 3.81Å; M441-F449 HydrophobicContact CG-CE1 4.3Å; M441-F449 HydrophobicContact CG-CZ 4.42Å; M441-F449 WeakPolarHBondContact O-CZ 3.43Å; M441-W453 HydrophobicContact CE-CD2 3.96Å; M441-W453 HydrophobicContact CE-CE3 3.83Å; M441-W453 HydrophobicContact CE-CH2 3.5Å; M441-W453 HydrophobicContact CE-CZ2 3.6Å; M441-W453 HydrophobicContact CE-CZ3 3.6Å
442	Q	92.2	Very high	89.1	Confident	12 Å²	12	44.9 Å²	44.9	6%	0.056	26%	0.255	C	S	.	.	G	3₁₀ helix	trans	-55.8	-33.5	173.6	-72.6	170.5	29.9	0	0	113.1	A373 V374 R429 L432 F437 D438 E440	A373-Q442 PolarHBondContact N-O 3.48Å; V374-Q442 WeakPolarHBondContact CB-O 3.44Å; V374-Q442 WeakPolarHBondContact CG1-O 3.48Å; V374-Q442 PolarHBondContact N-O 3Å; R429-Q442 VanDerWaalsContact CG-OE1 3.31Å; L432-Q442 HydrophobicContact CB-CG 4.01Å; L432-Q442 HydrophobicContact CD1-CG 4.33Å; F437-Q442 HydrophobicContact CB-CG 3.97Å; F437-Q442 PolarHBondContact O-NE2 2.79Å; D438-Q442 WeakPolarHBondContact O-CG 3.4Å; D438-Q442 PolarHBondContact O-N 2.91Å; E440-Q442 PolarHBondContact O-N 2.94Å
443	N	92.9	Very high	88.8	Confident	82 Å²	82	46.6 Å²	46.6	44%	0.439	26%	0.262	S	S	.	.	G	3₁₀ helix	trans	-98	-3.1	-178.9	-61	-46.6	0	0	0	112.7	R429 P439 E440 M441	R429-N443 PolarHBondContact NH1-OD1 2.84Å; R429-N443 VanDerWaalsContact NH1-OD1 3.07Å; R429-N443 PolarHBondContact NH2-OD1 3.42Å; P439-N443 PolarHBondContact O-ND2 3.37Å; E440-N443 CarbonylContact O-C 3.48Å; E440-N443 PolarHBondContact O-N 2.87Å; M441-N443 PolarHBondContact O-N 2.83Å
444	R	91.7	Very high	88.6	Confident	72 Å²	72	47 Å²	47	27%	0.272	26%	0.256	S	S	.	.	S	Bend	trans	-78.1	140.7	179.4	-168.7	-177.4	-70.7	168.3	-0	110.6	P372 A373 E440 M441 K448 F449	P372-R444 WeakPolarHBondContact CA-O 3.48Å; A373-R444 PolarHBondContact N-O 2.85Å; E440-R444 PolarHBondContact O-N 3.39Å; E440-R444 IonicContact OE1-CZ 3.6Å; E440-R444 IonicContact OE1-NE 3.35Å; E440-R444 PolarHBondContact OE1-NE 2.92Å; E440-R444 IonicContact OE1-NH2 3.13Å; E440-R444 PolarHBondContact OE1-NH2 3.27Å; E440-R444 IonicContact OE2-NH2 3.74Å; M441-R444 WeakPolarHBondContact O-CB 3.42Å; M441-R444 PolarHBondContact O-N 3.17Å; M441-R444 VanDerWaalsContact O-N 3.08Å; R444-K448 HydrophobicContact CG-CB 4.14Å; R444-K448 HydrophobicContact CG-CD 4.45Å; R444-F449 HydrophobicContact CB-CE2 3.85Å; R444-F449 HydrophobicContact CB-CZ 3.94Å; R444-F449 HydrophobicContact CG-CE2 4.08Å; R444-F449 HydrophobicContact CG-CZ 4.31Å
445	P	92.6	Very high	88.5	Confident	26 Å²	26	48.9 Å²	48.9	17%	0.169	27%	0.265	C	S	.	.	B	Isolated β-bridge	trans	-61.3	143.6	176.9	-27.5	36.3	0	0	0	114.1	T371 Q447 K448 F449	T371-P445 WeakPolarHBondContact O-CA 3.48Å; P445-Q447 HydrophobicContact CB-CG 4.13Å; P445-Q447 PolarHBondContact O-N 2.8Å; P445-K448 PolarHBondContact O-N 2.8Å; P445-K448 VanDerWaalsContact O-N 3.08Å; P445-F449 WeakPolarHBondContact O-CD2 3.42Å
446	T	88.8	Confident	88.4	Confident	0 Å²	0	49.1 Å²	49.1	0%	0	27%	0.266	C	S	.	.	G	3₁₀ helix	trans	-57	-35.6	-178.6	66.8	0	0	0	0	112.8	V366 V367 D369 T371 A376 K448 F449 R454	V366-T446 HydrophobicContact CG1-CG2 4.06Å; V367-T446 PolarHBondContact O-OG1 2.82Å; V367-T446 VanDerWaalsContact O-OG1 3.08Å; D369-T446 PolarHBondContact N-OG1 2.96Å; D369-T446 PolarHBondContact O-N 2.87Å; D369-T446 PolarHBondContact O-OG1 3.48Å; D369-T446 VanDerWaalsContact O-OG1 3.06Å; D369-T446 PolarHBondContact OD1-OG1 2.99Å; T371-T446 WeakPolarHBondContact O-CG2 3.3Å; T371-T446 PolarHBondContact O-N 3.06Å; A376-T446 HydrophobicContact CB-CG2 3.99Å; T446-K448 PolarHBondContact O-N 3.46Å; T446-K448 VanDerWaalsContact O-N 3.09Å; T446-F449 WeakPolarHBondContact O-CB 3.3Å; T446-F449 PolarHBondContact O-N 2.96Å; T446-F449 VanDerWaalsContact O-N 3.13Å; T446-R454 WeakPolarHBondContact O-CD 3.34Å
447	Q	89.4	Confident	88.5	Confident	90 Å²	90	47.7 Å²	47.7	42%	0.421	25%	0.25	S	S	.	.	G	3₁₀ helix	trans	-61.2	-18	179	65.3	161	-5.4	0	0	115.1	A368 D369 E370 P445 F449	A368-Q447 HydrophobicContact CB-CB 4.1Å; D369-Q447 WeakPolarHBondContact O-CG 3.29Å; D369-Q447 PolarHBondContact O-N 2.9Å; E370-Q447 PolarHBondContact OE1-NE2 3.39Å; E370-Q447 PolarHBondContact OE2-NE2 3.39Å; P445-Q447 HydrophobicContact CB-CG 4.13Å; P445-Q447 PolarHBondContact O-N 2.8Å; Q447-F449 VanDerWaalsContact C-N 3.31Å
448	K	87.6	Confident	88.4	Confident	143 Å²	143	48.4 Å²	48.4	62%	0.622	26%	0.256	S	S	*	.	G	3₁₀ helix	trans	-90.8	8.9	179.2	-61.3	-172.1	-178.6	177.5	0	113.4	R444 P445 T446	R444-K448 HydrophobicContact CG-CB 4.14Å; R444-K448 HydrophobicContact CG-CD 4.45Å; P445-K448 PolarHBondContact O-N 2.8Å; P445-K448 VanDerWaalsContact O-N 3.08Å; T446-K448 PolarHBondContact O-N 3.46Å; T446-K448 VanDerWaalsContact O-N 3.09Å
449	F	86.4	Confident	88.5	Confident	14 Å²	14	45.3 Å²	45.3	6%	0.061	24%	0.239	C	C	.	.	S	Bend	trans	-109.5	143.2	-179.7	-73.4	-80.1	0	0	0	112.4	A373 F437 M441 R444 P445 T446 Q447 W453 R454	A373-F449 HydrophobicContact CB-CE2 4.33Å; F437-F449 HydrophobicContact CD1-CE1 4.07Å; F437-F449 AromaticContact CD1-CZ 3.99Å; F437-F449 HydrophobicContact CD1-CZ 3.99Å; F437-F449 HydrophobicContact CE1-CD1 4.38Å; F437-F449 AromaticContact CE1-CE1 3.79Å; F437-F449 HydrophobicContact CE1-CE1 3.79Å; F437-F449 HydrophobicContact CE1-CE2 4.5Å; F437-F449 AromaticContact CE1-CZ 3.85Å; F437-F449 HydrophobicContact CE1-CZ 3.85Å; M441-F449 HydrophobicContact CB-CE1 4.18Å; M441-F449 HydrophobicContact CB-CZ 3.96Å; M441-F449 HydrophobicContact CE-CE1 3.81Å; M441-F449 HydrophobicContact CG-CE1 4.3Å; M441-F449 HydrophobicContact CG-CZ 4.42Å; M441-F449 WeakPolarHBondContact O-CZ 3.43Å; R444-F449 HydrophobicContact CB-CE2 3.85Å; R444-F449 HydrophobicContact CB-CZ 3.94Å; R444-F449 HydrophobicContact CG-CE2 4.08Å; R444-F449 HydrophobicContact CG-CZ 4.31Å; P445-F449 WeakPolarHBondContact O-CD2 3.42Å; T446-F449 WeakPolarHBondContact O-CB 3.3Å; T446-F449 PolarHBondContact O-N 2.96Å; T446-F449 VanDerWaalsContact O-N 3.13Å; Q447-F449 VanDerWaalsContact C-N 3.31Å; F449-W453 HydrophobicContact CB-CB 3.74Å; F449-W453 HydrophobicContact CD1-CB 3.51Å; F449-W453 HydrophobicContact CD1-CD2 4.31Å; F449-W453 AromaticContact CD1-CG 3.8Å; F449-W453 HydrophobicContact CD1-CG 3.8Å; F449-W453 HydrophobicContact CE1-CB 4.45Å; F449-W453 HydrophobicContact CE1-CG 4.49Å; F449-W453 HydrophobicContact CG-CB 4Å; F449-R454 HydrophobicContact CB-CG 3.78Å; F449-R454 PolarHBondContact O-NE 2.92Å
450	S	83.1	Confident	88.5	Confident	73 Å²	73	40.9 Å²	40.9	51%	0.51	21%	0.21	S	C	.	.			trans	-66.1	167.2	170.4	71.5	0	0	0	0	111.4	G452 W453 R454	S450-G452 PolarHBondContact O-N 3.44Å; S450-W453 PolarHBondContact O-N 2.83Å; S450-W453 VanDerWaalsContact O-N 3.11Å; S450-R454 PolarHBondContact O-N 3.17Å
451	G	79.7	Confident	88.5	Confident	19 Å²	19	39.8 Å²	39.8	20%	0.196	20%	0.201	C	C	.	.	H	α-helix	trans	-52.6	-50.3	-179	0	0	0	0	0	114.2	E365 W453 R454 M455	E365-G451 WeakPolarHBondContact OE1-CA 3.47Å; G451-W453 VanDerWaalsContact C-N 3.32Å; G451-W453 PolarHBondContact O-N 2.87Å; G451-R454 CarbonylContact O-C 3.43Å; G451-R454 PolarHBondContact O-N 2.89Å; G451-M455 PolarHBondContact O-N 3.24Å
452	G	80.5	Confident	88.5	Confident	28 Å²	28	39 Å²	39	29%	0.289	20%	0.198	S	C	.	.	H	α-helix	trans	-56.5	-41.1	176	0	0	0	0	0	113.7	S450 M455 R456	S450-G452 PolarHBondContact O-N 3.44Å; G452-M455 WeakPolarHBondContact O-CB 3.37Å; G452-M455 PolarHBondContact O-N 2.88Å; G452-R456 WeakPolarHBondContact O-CG 3.31Å; G452-R456 PolarHBondContact O-N 3.08Å
453	W	87.2	Confident	88.5	Confident	37 Å²	37	38.4 Å²	38.4	14%	0.14	20%	0.195	C	C	.	.	H	α-helix	trans	-68.3	-40	174.3	-77.7	111.6	0	0	0	112.4	G436 F437 M441 F449 S450 G451 M455 R456 V457 N657	G436-W453 WeakPolarHBondContact O-CH2 3.18Å; F437-W453 HydrophobicContact CD1-CE3 4.31Å; F437-W453 HydrophobicContact CD1-CZ3 4.44Å; F437-W453 HydrophobicContact CD2-CE3 4.17Å; F437-W453 AromaticContact CD2-CZ3 3.87Å; F437-W453 HydrophobicContact CD2-CZ3 3.87Å; F437-W453 AromaticContact CE1-CE3 3.9Å; F437-W453 HydrophobicContact CE1-CE3 3.9Å; F437-W453 HydrophobicContact CE1-CZ3 4.44Å; F437-W453 AromaticContact CE2-CE3 3.77Å; F437-W453 HydrophobicContact CE2-CE3 3.77Å; F437-W453 AromaticContact CE2-CZ3 3.89Å; F437-W453 HydrophobicContact CE2-CZ3 3.89Å; F437-W453 HydrophobicContact CG-CE3 4.43Å; F437-W453 HydrophobicContact CG-CZ3 4.17Å; F437-W453 AromaticContact CZ-CE3 3.62Å; F437-W453 HydrophobicContact CZ-CE3 3.62Å; F437-W453 HydrophobicContact CZ-CZ3 4.18Å; M441-W453 HydrophobicContact CE-CD2 3.96Å; M441-W453 HydrophobicContact CE-CE3 3.83Å; M441-W453 HydrophobicContact CE-CH2 3.5Å; M441-W453 HydrophobicContact CE-CZ2 3.6Å; M441-W453 HydrophobicContact CE-CZ3 3.6Å; F449-W453 HydrophobicContact CB-CB 3.74Å; F449-W453 HydrophobicContact CD1-CB 3.51Å; F449-W453 HydrophobicContact CD1-CD2 4.31Å; F449-W453 AromaticContact CD1-CG 3.8Å; F449-W453 HydrophobicContact CD1-CG 3.8Å; F449-W453 HydrophobicContact CE1-CB 4.45Å; F449-W453 HydrophobicContact CE1-CG 4.49Å; F449-W453 HydrophobicContact CG-CB 4Å; S450-W453 PolarHBondContact O-N 2.83Å; S450-W453 VanDerWaalsContact O-N 3.11Å; G451-W453 VanDerWaalsContact C-N 3.32Å; G451-W453 PolarHBondContact O-N 2.87Å; W453-M455 VanDerWaalsContact C-N 3.29Å; W453-M455 PolarHBondContact O-N 3.49Å; W453-R456 WeakPolarHBondContact O-CB 3.47Å; W453-R456 PolarHBondContact O-N 2.85Å; W453-R456 VanDerWaalsContact O-N 3.14Å; W453-V457 PolarHBondContact O-N 3.21Å; W453-N657 HydrophobicContact CZ2-CB 4.33Å
454	R	87.8	Confident	88.4	Confident	42 Å²	42	35.2 Å²	35.2	16%	0.158	18%	0.177	C	C	.	.	H	α-helix	trans	-66.7	-28.8	174.4	-68.4	-174.8	-67.5	101.8	8.8	112.5	E365 V366 T446 F449 S450 G451 V457 S458	E365-R454 HydrophobicContact CB-CB 4.34Å; E365-R454 IonicContact OE1-NH2 3.18Å; E365-R454 PolarHBondContact OE1-NH2 3.2Å; E365-R454 IonicContact OE2-CZ 2.79Å; E365-R454 IonicContact OE2-NH1 3.73Å; E365-R454 PolarHBondContact OE2-NH1 3.32Å; E365-R454 IonicContact OE2-NH2 2.79Å; E365-R454 PolarHBondContact OE2-NH2 3.14Å; V366-R454 PolarHBondContact N-O 3.15Å; V366-R454 PolarHBondContact O-NH1 3.46Å; T446-R454 WeakPolarHBondContact O-CD 3.34Å; F449-R454 HydrophobicContact CB-CG 3.78Å; F449-R454 PolarHBondContact O-NE 2.92Å; S450-R454 PolarHBondContact O-N 3.17Å; G451-R454 CarbonylContact O-C 3.43Å; G451-R454 PolarHBondContact O-N 2.89Å; R454-V457 PolarHBondContact O-N 2.86Å; R454-S458 PolarHBondContact O-N 2.94Å
455	M	86.4	Confident	88.1	Confident	43 Å²	43	34.8 Å²	34.8	21%	0.212	18%	0.179	C	C	.	.	H	α-helix	trans	-67.2	-41.6	168.9	-172.1	59.5	75.3	0	0	111.4	E363 E365 G451 G452 W453 V457 S458 L459	E363-M455 WeakPolarHBondContact O-CE 3.43Å; E365-M455 HydrophobicContact CG-CE 4.05Å; G451-M455 PolarHBondContact O-N 3.24Å; G452-M455 WeakPolarHBondContact O-CB 3.37Å; G452-M455 PolarHBondContact O-N 2.88Å; W453-M455 VanDerWaalsContact C-N 3.29Å; W453-M455 PolarHBondContact O-N 3.49Å; M455-V457 VanDerWaalsContact C-N 3.33Å; M455-V457 PolarHBondContact O-N 3.48Å; M455-S458 WeakPolarHBondContact O-CA 3.48Å; M455-S458 WeakPolarHBondContact O-CB 3.5Å; M455-S458 PolarHBondContact O-N 3.43Å; M455-L459 PolarHBondContact O-N 3.01Å
456	R	90.1	Very high	87.9	Confident	6 Å²	6	36.8 Å²	36.8	2%	0.023	19%	0.186	C	C	.	.	H	α-helix	trans	-62.6	-35.2	173.6	-65.4	176.7	-174.8	-148.9	1.8	113.3	L435 F437 G452 W453 S458 L459 A460 H478 L479 D480 N657	L435-R456 PolarHBondContact O-NH1 2.79Å; F437-R456 HydrophobicContact CE2-CB 3.68Å; F437-R456 HydrophobicContact CZ-CB 3.96Å; G452-R456 WeakPolarHBondContact O-CG 3.31Å; G452-R456 PolarHBondContact O-N 3.08Å; W453-R456 WeakPolarHBondContact O-CB 3.47Å; W453-R456 PolarHBondContact O-N 2.85Å; W453-R456 VanDerWaalsContact O-N 3.14Å; R456-S458 VanDerWaalsContact C-N 3.26Å; R456-S458 PolarHBondContact O-N 3.35Å; R456-L459 PolarHBondContact O-N 3.32Å; R456-A460 WeakPolarHBondContact O-CB 3.46Å; R456-A460 PolarHBondContact O-N 2.87Å; R456-H478 PolarHBondContact NE-O 3.43Å; R456-H478 PolarHBondContact NH2-O 2.78Å; R456-H478 VanDerWaalsContact NH2-O 3.12Å; R456-L479 HydrophobicContact CG-CD2 3.76Å; R456-D480 IonicContact CZ-OD1 2.72Å; R456-D480 IonicContact CZ-OD2 2.69Å; R456-D480 IonicContact NH1-OD1 2.65Å; R456-D480 PolarHBondContact NH1-OD1 2.85Å; R456-D480 IonicContact NH1-OD2 2.66Å; R456-D480 PolarHBondContact NH1-OD2 3.27Å; R456-D480 VanDerWaalsContact NH2-CG 3.26Å; R456-D480 IonicContact NH2-OD1 3.42Å; R456-D480 PolarHBondContact NH2-OD1 2.73Å; R456-D480 IonicContact NH2-OD2 3.86Å; R456-N657 PolarHBondContact NH2-ND2 3.41Å; R456-N657 VanDerWaalsContact NH2-ND2 3.16Å
457	V	90.5	Very high	88	Confident	0 Å²	0	36.9 Å²	36.9	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-64.2	-34.8	171.3	-172.6	0	0	0	0	110.8	V366 A373 A376 V377 F437 W453 R454 M455 A460 R461	V366-V457 HydrophobicContact CB-CB 4.47Å; V366-V457 HydrophobicContact CG2-CB 3.92Å; V366-V457 HydrophobicContact CG2-CG1 3.96Å; A373-V457 HydrophobicContact CB-CG2 4.12Å; A376-V457 HydrophobicContact CB-CG1 4Å; V377-V457 HydrophobicContact CG2-CG1 4.12Å; F437-V457 HydrophobicContact CE1-CG2 3.73Å; F437-V457 HydrophobicContact CZ-CG2 3.49Å; F437-V457 VanDerWaalsContact CZ-CG2 3.49Å; W453-V457 PolarHBondContact O-N 3.21Å; R454-V457 PolarHBondContact O-N 2.86Å; M455-V457 VanDerWaalsContact C-N 3.33Å; M455-V457 PolarHBondContact O-N 3.48Å; V457-A460 PolarHBondContact O-N 3.13Å; V457-R461 WeakPolarHBondContact O-CB 3.39Å; V457-R461 PolarHBondContact O-N 2.93Å
458	S	89.4	Confident	88	Confident	18 Å²	18	35.6 Å²	35.6	13%	0.126	19%	0.185	C	C	.	.	H	α-helix	trans	-66.4	-44.8	175.3	-144.1	0	0	0	0	111.8	Q364 R454 M455 R456 R461 A462	Q364-S458 VanDerWaalsContact O-CB 3.25Å; Q364-S458 WeakPolarHBondContact O-CB 3.28Å; Q364-S458 PolarHBondContact O-OG 2.92Å; R454-S458 PolarHBondContact O-N 2.94Å; M455-S458 WeakPolarHBondContact O-CA 3.48Å; M455-S458 WeakPolarHBondContact O-CB 3.5Å; M455-S458 PolarHBondContact O-N 3.43Å; R456-S458 VanDerWaalsContact C-N 3.26Å; R456-S458 PolarHBondContact O-N 3.35Å; S458-R461 WeakPolarHBondContact O-CB 3.27Å; S458-R461 PolarHBondContact O-N 3.23Å; S458-A462 PolarHBondContact O-N 3.45Å
459	L	91.1	Very high	88.3	Confident	8 Å²	8	28.9 Å²	28.9	4%	0.042	16%	0.156	C	C	.	.	H	α-helix	trans	-61.8	-45.4	173.3	-178	62.3	0	0	0	111.5	L435 M455 R456 R461 A462 L463 L472 L479 L487	L435-L459 HydrophobicContact CD1-CD2 4.41Å; L435-L459 HydrophobicContact CD1-CG 4.36Å; L435-L459 HydrophobicContact CD2-CD2 3.93Å; M455-L459 PolarHBondContact O-N 3.01Å; R456-L459 PolarHBondContact O-N 3.32Å; L459-R461 VanDerWaalsContact C-N 3.29Å; L459-R461 PolarHBondContact O-N 3.37Å; L459-A462 PolarHBondContact O-N 3.42Å; L459-A462 VanDerWaalsContact O-N 3.11Å; L459-L463 HydrophobicContact CD1-CD1 4.26Å; L459-L463 HydrophobicContact CD1-CG 4.23Å; L459-L463 HydrophobicContact CG-CD1 4.01Å; L459-L463 HydrophobicContact CG-CG 4.41Å; L459-L463 VanDerWaalsContact O-CG 3.29Å; L459-L463 WeakPolarHBondContact O-CG 3.45Å; L459-L463 PolarHBondContact O-N 3.4Å; L459-L472 HydrophobicContact CD1-CD1 4.38Å; L459-L472 HydrophobicContact CD1-CD2 3.7Å; L459-L479 HydrophobicContact CD2-CD1 4.19Å; L459-L487 HydrophobicContact CD2-CD1 4.36Å; L459-L487 HydrophobicContact CD2-CD2 4.13Å
460	A	91.9	Very high	88.6	Confident	0 Å²	0	28.2 Å²	28.2	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-57.6	-42.6	175.4	0	0	0	0	0	111.9	V377 I431 L432 L435 R456 V457 F464	V377-A460 HydrophobicContact CG2-CB 3.73Å; I431-A460 HydrophobicContact CG2-CB 3.81Å; L432-A460 HydrophobicContact CD2-CB 3.67Å; L432-A460 HydrophobicContact CG-CB 4.24Å; L435-A460 HydrophobicContact CD1-CB 3.79Å; R456-A460 WeakPolarHBondContact O-CB 3.46Å; R456-A460 PolarHBondContact O-N 2.87Å; V457-A460 PolarHBondContact O-N 3.13Å; A460-F464 WeakPolarHBondContact O-CB 3.04Å; A460-F464 PolarHBondContact O-N 3.24Å
461	R	89.6	Confident	89.2	Confident	103 Å²	103	24.8 Å²	24.8	39%	0.389	13%	0.129	S	C	.	.	H	α-helix	trans	-60	-46.6	172.6	156.8	164.7	-171.5	-163	1.6	112	A380 V457 S458 L459 F464 M465	A380-R461 HydrophobicContact CB-CB 4.35Å; A380-R461 HydrophobicContact CB-CG 3.55Å; V457-R461 WeakPolarHBondContact O-CB 3.39Å; V457-R461 PolarHBondContact O-N 2.93Å; S458-R461 WeakPolarHBondContact O-CB 3.27Å; S458-R461 PolarHBondContact O-N 3.23Å; L459-R461 VanDerWaalsContact C-N 3.29Å; L459-R461 PolarHBondContact O-N 3.37Å; R461-F464 PolarHBondContact O-N 3.34Å; R461-M465 HydrophobicContact CG-SD 4.15Å; R461-M465 WeakPolarHBondContact O-CG 3.44Å; R461-M465 PolarHBondContact O-N 3.06Å
462	A	89.7	Confident	89.8	Confident	3 Å²	3	23.9 Å²	23.9	3%	0.025	12%	0.12	C	C	.	.	H	α-helix	trans	-66.4	-41.1	-178.9	0	0	0	0	0	112.7	L360 C362 S458 L459 F464 E466 L470	L360-A462 HydrophobicContact CD2-CB 3.73Å; C362-A462 HydrophobicContact CB-CB 4.12Å; S458-A462 PolarHBondContact O-N 3.45Å; L459-A462 PolarHBondContact O-N 3.42Å; L459-A462 VanDerWaalsContact O-N 3.11Å; A462-F464 VanDerWaalsContact C-N 3.32Å; A462-E466 PolarHBondContact O-N 3.47Å; A462-L470 HydrophobicContact CB-CD1 3.82Å
463	L	91.4	Very high	90.3	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-68.5	-29	174	-64.5	172.6	0	0	0	113	I431 L435 L459 L470 W486 L487 Y490 L491 W494	I431-L463 HydrophobicContact CD1-CB 4.44Å; I431-L463 HydrophobicContact CG2-CB 4.25Å; I431-L463 HydrophobicContact CG2-CD1 4.27Å; L435-L463 HydrophobicContact CD1-CD1 4.38Å; L459-L463 HydrophobicContact CD1-CD1 4.26Å; L459-L463 HydrophobicContact CD1-CG 4.23Å; L459-L463 HydrophobicContact CG-CD1 4.01Å; L459-L463 HydrophobicContact CG-CG 4.41Å; L459-L463 VanDerWaalsContact O-CG 3.29Å; L459-L463 WeakPolarHBondContact O-CG 3.45Å; L459-L463 PolarHBondContact O-N 3.4Å; L463-L470 HydrophobicContact CD2-CD2 4.03Å; L463-W486 HydrophobicContact CD1-CH2 4.38Å; L463-W486 HydrophobicContact CD1-CZ3 4.05Å; L463-L487 HydrophobicContact CD1-CD1 3.69Å; L463-L487 HydrophobicContact CD2-CD1 4.27Å; L463-Y490 HydrophobicContact CB-CE1 4.03Å; L463-Y490 HydrophobicContact CD1-CD1 4.43Å; L463-Y490 HydrophobicContact CD1-CE1 4.41Å; L463-Y490 HydrophobicContact CD2-CD1 4.15Å; L463-Y490 HydrophobicContact CD2-CE1 3.97Å; L463-Y490 HydrophobicContact CG-CE1 4.36Å; L463-L491 HydrophobicContact CD2-CD2 3.77Å; L463-W494 HydrophobicContact CD2-CZ3 4.25Å
464	F	90.7	Very high	90.2	Very high	15 Å²	15	24 Å²	24	7%	0.066	12%	0.116	C	C	.	.	H	α-helix	trans	-75	-43.4	176.9	175.7	-101.5	0	0	0	112.4	V377 L378 D381 A424 K427 A428 I431 A460 R461 A462 E466	V377-F464 HydrophobicContact CG1-CB 3.59Å; V377-F464 HydrophobicContact CG1-CD1 3.98Å; V377-F464 HydrophobicContact CG1-CD2 4.18Å; V377-F464 HydrophobicContact CG1-CG 3.65Å; V377-F464 WeakPolarHBondContact O-CD1 3.26Å; L378-F464 HydrophobicContact CD2-CE1 4.49Å; L378-F464 HydrophobicContact CD2-CE2 4.23Å; L378-F464 HydrophobicContact CD2-CZ 3.81Å; D381-F464 HydrophobicContact CB-CE1 4.05Å; A424-F464 HydrophobicContact CB-CE2 4.14Å; A424-F464 HydrophobicContact CB-CZ 4.08Å; A424-F464 WeakPolarHBondContact O-CE2 3.47Å; K427-F464 HydrophobicContact CD-CD2 4.1Å; K427-F464 HydrophobicContact CD-CE2 4.29Å; K427-F464 HydrophobicContact CG-CD2 4.35Å; K427-F464 PolarHBondContact NZ-O 2.99Å; K427-F464 VanDerWaalsContact NZ-O 3.17Å; A428-F464 HydrophobicContact CB-CD2 4.16Å; A428-F464 HydrophobicContact CB-CE2 4.2Å; I431-F464 HydrophobicContact CD1-CB 4.1Å; I431-F464 HydrophobicContact CD1-CD2 4.49Å; A460-F464 WeakPolarHBondContact O-CB 3.04Å; A460-F464 PolarHBondContact O-N 3.24Å; R461-F464 PolarHBondContact O-N 3.34Å; A462-F464 VanDerWaalsContact C-N 3.32Å; F464-E466 PolarHBondContact O-N 3.42Å
465	M	86.3	Confident	90.2	Very high	62 Å²	62	23 Å²	23	31%	0.305	11%	0.114	S	C	.	.	H	α-helix	trans	-63.1	-34.9	179.4	-76	177.3	63.2	0	0	113.8	L360 A380 R461	L360-M465 HydrophobicContact CD1-CE 4.43Å; L360-M465 HydrophobicContact CD2-CB 4.44Å; L360-M465 HydrophobicContact CD2-CE 4.08Å; L360-M465 HydrophobicContact CD2-SD 3.79Å; A380-M465 HydrophobicContact CB-CG 3.71Å; A380-M465 HydrophobicContact CB-SD 3.86Å; R461-M465 HydrophobicContact CG-SD 4.15Å; R461-M465 WeakPolarHBondContact O-CG 3.44Å; R461-M465 PolarHBondContact O-N 3.06Å
466	E	88.2	Confident	90	Very high	68 Å²	68	21 Å²	21	32%	0.318	10%	0.104	S	C	.	.			trans	48.7	62.7	-175.9	-56.1	-177.6	-163.5	0	0	115.4	K427 A462 F464 W494 K496	K427-E466 IonicContact NZ-OE1 3.34Å; K427-E466 PolarHBondContact NZ-OE1 3.23Å; A462-E466 PolarHBondContact O-N 3.47Å; F464-E466 PolarHBondContact O-N 3.42Å; E466-W494 HydrophobicContact CB-CH2 3.94Å; E466-W494 HydrophobicContact CB-CZ2 4.29Å; E466-W494 HydrophobicContact CG-CH2 3.74Å; E466-W494 HydrophobicContact CG-CZ2 4.48Å; E466-W494 HydrophobicContact CG-CZ3 4Å; E466-K496 HydrophobicContact CB-CD 4.01Å; E466-K496 VanDerWaalsContact O-CD 3.32Å; E466-K496 WeakPolarHBondContact O-CD 3.41Å; E466-K496 WeakPolarHBondContact O-CE 3.45Å; E466-K496 PolarHBondContact O-NZ 3.15Å; E466-K496 IonicContact OE2-NZ 3.66Å; E466-K496 PolarHBondContact OE2-NZ 3.24Å
467	P	90.1	Very high	89.6	Confident	3 Å²	3	21.6 Å²	21.6	2%	0.019	11%	0.108	C	C	.	.			trans	-64.4	164.5	176.5	33.4	-41.2	0	0	0	112.3	D358 L360 L469 L470	D358-P467 HydrophobicContact CB-CB 4.47Å; D358-P467 WeakPolarHBondContact OD2-CB 3.32Å; L360-P467 HydrophobicContact CB-CB 4.1Å; L360-P467 HydrophobicContact CB-CG 3.76Å; L360-P467 HydrophobicContact CD2-CG 4.37Å; P467-L469 VanDerWaalsContact C-N 3.3Å; P467-L469 PolarHBondContact O-N 2.9Å; P467-L470 HydrophobicContact CG-CB 3.8Å; P467-L470 HydrophobicContact CG-CD1 4.24Å
468	T	90.7	Very high	88.8	Confident	63 Å²	63	26 Å²	26	39%	0.387	13%	0.129	S	C	.	.	S	Bend	trans	-62	-37.8	177.1	-57.5	0	0	0	0	112.3	I357 D358 T497	I357-T468 HydrophobicContact CG2-CG2 4.12Å; D358-T468 PolarHBondContact O-N 2.93Å; T468-T497 WeakPolarHBondContact O-CB 3.32Å; T468-T497 PolarHBondContact O-N 3.23Å; T468-T497 VanDerWaalsContact O-N 3.16Å; T468-T497 PolarHBondContact O-OG1 3.48Å
469	L	92.6	Very high	88.5	Confident	2 Å²	2	25.4 Å²	25.4	1%	0.01	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	111.8	167.4	175.8	61.4	0	0	0	109.9	I301 I323 I357 D358 V359 L360 P467 M471 T497 L499	I301-L469 HydrophobicContact CD1-CD2 3.71Å; I323-L469 HydrophobicContact CD1-CD2 4.3Å; I323-L469 HydrophobicContact CG2-CD1 4.42Å; I357-L469 HydrophobicContact CG2-CB 4.17Å; D358-L469 PolarHBondContact O-N 3.21Å; V359-L469 HydrophobicContact CG1-CD2 4.4Å; V359-L469 HydrophobicContact CG2-CB 4.37Å; V359-L469 HydrophobicContact CG2-CD2 4.27Å; L360-L469 PolarHBondContact N-O 2.89Å; L360-L469 VanDerWaalsContact N-O 3.12Å; P467-L469 VanDerWaalsContact C-N 3.3Å; P467-L469 PolarHBondContact O-N 2.9Å; L469-M471 HydrophobicContact CD1-CG 4.39Å; L469-M471 HydrophobicContact CD2-CG 4.23Å; L469-M471 HydrophobicContact CD2-SD 4.14Å; L469-M471 HydrophobicContact CG-CG 3.94Å; L469-T497 HydrophobicContact CD1-CG2 3.93Å; L469-L499 HydrophobicContact CD1-CB 4.12Å
470	L	94.2	Very high	88.3	Confident	0 Å²	0	25.2 Å²	25.2	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	126.2	169.1	175.5	60.6	0	0	0	109.5	A462 L463 P467 L472 W494 T497 L498 L499	A462-L470 HydrophobicContact CB-CD1 3.82Å; L463-L470 HydrophobicContact CD2-CD2 4.03Å; P467-L470 HydrophobicContact CG-CB 3.8Å; P467-L470 HydrophobicContact CG-CD1 4.24Å; L470-L472 HydrophobicContact CD1-CD2 3.93Å; L470-L472 HydrophobicContact CD2-CD2 4.29Å; L470-L472 HydrophobicContact CD2-CG 4.48Å; L470-L472 HydrophobicContact CG-CD2 4.05Å; L470-L472 HydrophobicContact CG-CG 4.21Å; L470-W494 HydrophobicContact CB-CZ2 4.15Å; L470-W494 HydrophobicContact CD2-CH2 3.88Å; L470-W494 HydrophobicContact CD2-CZ2 3.74Å; L470-T497 PolarHBondContact N-O 3.45Å; L470-L498 HydrophobicContact CB-CD2 3.82Å; L470-L498 HydrophobicContact CD2-CD2 3.96Å; L470-L498 HydrophobicContact CG-CD2 4.17Å; L470-L498 WeakPolarHBondContact O-CA 3.29Å; L470-L499 PolarHBondContact O-N 3.17Å
471	M	94.1	Very high	88	Confident	0 Å²	0	25.5 Å²	25.5	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	128.4	176.1	-52.4	-165	-57.3	0	0	110.6	L343 I346 A347 V359 L360 L361 C362 L469 L499	L343-M471 HydrophobicContact CD2-CB 4.37Å; L343-M471 HydrophobicContact CD2-SD 4.02Å; L343-M471 WeakPolarHBondContact O-CE 3.17Å; I346-M471 HydrophobicContact CB-CE 3.98Å; I346-M471 HydrophobicContact CB-SD 4Å; I346-M471 HydrophobicContact CD1-SD 4.33Å; I346-M471 HydrophobicContact CG2-CE 3.84Å; I346-M471 HydrophobicContact CG2-SD 3.58Å; I346-M471 VanDerWaalsContact CG2-SD 3.58Å; A347-M471 HydrophobicContact CB-CE 3.85Å; V359-M471 HydrophobicContact CG1-CE 3.64Å; V359-M471 HydrophobicContact CG1-SD 4.14Å; L360-M471 PolarHBondContact O-N 2.79Å; L361-M471 HydrophobicContact CB-CE 3.93Å; L361-M471 HydrophobicContact CD1-CB 3.82Å; L361-M471 HydrophobicContact CD1-CE 4.36Å; C362-M471 PolarHBondContact N-O 3.37Å; L469-M471 HydrophobicContact CD1-CG 4.39Å; L469-M471 HydrophobicContact CD2-CG 4.23Å; L469-M471 HydrophobicContact CD2-SD 4.14Å; L469-M471 HydrophobicContact CG-CG 3.94Å; M471-L499 VanDerWaalsContact CA-O 3.29Å; M471-L499 WeakPolarHBondContact CA-O 3.33Å; M471-L499 HydrophobicContact CG-CB 4.27Å; M471-L499 HydrophobicContact SD-CD2 4.07Å
472	L	92.3	Very high	88	Confident	1 Å²	1	22.2 Å²	22.2	1%	0.005	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	126.9	-179.4	-57.5	179.9	0	0	0	109.3	C362 L459 L470 P475 L491 L499 I500 V501	C362-L472 HydrophobicContact CB-CD2 3.69Å; L459-L472 HydrophobicContact CD1-CD1 4.38Å; L459-L472 HydrophobicContact CD1-CD2 3.7Å; L470-L472 HydrophobicContact CD1-CD2 3.93Å; L470-L472 HydrophobicContact CD2-CD2 4.29Å; L470-L472 HydrophobicContact CD2-CG 4.48Å; L470-L472 HydrophobicContact CG-CD2 4.05Å; L470-L472 HydrophobicContact CG-CG 4.21Å; L472-P475 HydrophobicContact CB-CB 4.25Å; L472-P475 HydrophobicContact CB-CG 3.97Å; L472-P475 HydrophobicContact CD1-CB 4.42Å; L472-P475 HydrophobicContact CD1-CG 4.24Å; L472-L491 HydrophobicContact CD1-CD1 4.1Å; L472-L499 PolarHBondContact N-O 2.83Å; L472-I500 HydrophobicContact CB-CG1 4.38Å; L472-I500 HydrophobicContact CB-CG2 4.16Å; L472-I500 HydrophobicContact CD1-CD1 4.34Å; L472-I500 HydrophobicContact CD1-CG1 4.28Å; L472-I500 WeakPolarHBondContact O-CA 3.22Å; L472-V501 PolarHBondContact O-N 2.79Å
473	D	91.1	Very high	88	Confident	36 Å²	36	22 Å²	22	19%	0.193	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	112.5	176.2	-154.7	29.3	0	0	0	110.2	T340 L343 V501	T340-D473 WeakPolarHBondContact CA-OD2 3.4Å; T340-D473 WeakPolarHBondContact CB-OD2 3.28Å; T340-D473 WeakPolarHBondContact CG2-OD2 3.45Å; T340-D473 PolarHBondContact OG1-OD2 2.78Å; L343-D473 HydrophobicContact CD1-CB 3.72Å; D473-V501 VanDerWaalsContact OD1-CB 3.25Å; D473-V501 WeakPolarHBondContact OD1-CB 3.45Å; D473-V501 WeakPolarHBondContact OD1-CG1 3.3Å
474	E	86.6	Confident	88	Confident	32 Å²	32	22.4 Å²	22.4	15%	0.15	12%	0.115	C	C	.	.	S	Bend	trans	41.9	53.2	-179.2	-56.6	-173.2	-175.7	0	0	114.6	K339 T476 N477 V501 H503	K339-E474 WeakPolarHBondContact CE-OE1 3.27Å; K339-E474 IonicContact NZ-OE1 3.68Å; K339-E474 PolarHBondContact NZ-OE1 3.21Å; E474-T476 PolarHBondContact O-N 3.04Å; E474-T476 VanDerWaalsContact O-N 3.09Å; E474-N477 WeakPolarHBondContact CB-ND2 3.33Å; E474-N477 PolarHBondContact O-N 3.18Å; E474-N477 PolarHBondContact OE2-ND2 3.04Å; E474-V501 VanDerWaalsContact CA-O 3.26Å; E474-V501 WeakPolarHBondContact CA-O 3.39Å; E474-V501 HydrophobicContact CG-CG1 3.76Å; E474-V501 PolarHBondContact N-O 2.9Å; E474-H503 IonicContact OE1-CD2 3.42Å; E474-H503 PolarHBondContact OE1-CD2 3.43Å; E474-H503 IonicContact OE1-NE2 3.83Å; E474-H503 PolarHBondContact OE1-NE2 2.91Å
475	P	86.3	Confident	88	Confident	19 Å²	19	22.1 Å²	22.1	12%	0.123	11%	0.114	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66	-17.4	-167.7	28.3	-37.1	0	0	0	114.8	L472 L479 L487 I500 V501	L472-P475 HydrophobicContact CB-CB 4.25Å; L472-P475 HydrophobicContact CB-CG 3.97Å; L472-P475 HydrophobicContact CD1-CB 4.42Å; L472-P475 HydrophobicContact CD1-CG 4.24Å; P475-L479 VanDerWaalsContact O-CD1 3.3Å; P475-L479 WeakPolarHBondContact O-CD1 3.35Å; P475-L479 WeakPolarHBondContact O-CG 3.44Å; P475-L487 HydrophobicContact CB-CD2 4.36Å; P475-I500 HydrophobicContact CG-CG2 3.98Å; P475-V501 WeakPolarHBondContact CD-O 3.2Å
476	T	83.9	Confident	88.3	Confident	2 Å²	2	19.2 Å²	19.2	1%	0.012	10%	0.1	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.3	-28.3	179.7	49.1	0	0	0	0	113.2	E474 H478 L479 V484 D504 F507	E474-T476 PolarHBondContact O-N 3.04Å; E474-T476 VanDerWaalsContact O-N 3.09Å; T476-H478 PolarHBondContact O-N 3.18Å; T476-L479 PolarHBondContact O-N 3.1Å; T476-V484 HydrophobicContact CG2-CG1 4.1Å; T476-V484 HydrophobicContact CG2-CG2 4.16Å; T476-D504 HydrophobicContact CG2-CB 4.39Å; T476-F507 HydrophobicContact CG2-CD2 4.12Å; T476-F507 HydrophobicContact CG2-CE2 4.48Å; T476-F507 HydrophobicContact CG2-CG 4.34Å
477	N	80.8	Confident	88.5	Confident	18 Å²	18	16 Å²	16	10%	0.096	9%	0.085	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-15.7	-170.6	-68.3	1.7	0	0	0	115.4	E474 N768	E474-N477 WeakPolarHBondContact CB-ND2 3.33Å; E474-N477 PolarHBondContact O-N 3.18Å; E474-N477 PolarHBondContact OE2-ND2 3.04Å; N477-N768 PolarHBondContact O-OD1 2.88Å
478	H	73.6	Confident	88.6	Confident	94 Å²	94	16.4 Å²	16.4	44%	0.435	9%	0.087	S	C	.	.	T	Hydrogen-bonded Turn	trans	-126.2	13.4	-179.3	-59.1	-30.9	0	0	0	112.8	R456 T476	R456-H478 PolarHBondContact NE-O 3.43Å; R456-H478 PolarHBondContact NH2-O 2.78Å; R456-H478 VanDerWaalsContact NH2-O 3.12Å; T476-H478 PolarHBondContact O-N 3.18Å
479	L	84.3	Confident	88.6	Confident	4 Å²	4	14.1 Å²	14.1	2%	0.021	7%	0.072	C	C	.	.			trans	-102.3	141.2	175.9	-63.5	-178	0	0	0	110.3	L435 R456 L459 P475 T476 A483 V484 L487	L435-L479 HydrophobicContact CD2-CD2 4.19Å; R456-L479 HydrophobicContact CG-CD2 3.76Å; L459-L479 HydrophobicContact CD2-CD1 4.19Å; P475-L479 VanDerWaalsContact O-CD1 3.3Å; P475-L479 WeakPolarHBondContact O-CD1 3.35Å; P475-L479 WeakPolarHBondContact O-CG 3.44Å; T476-L479 PolarHBondContact O-N 3.1Å; L479-A483 HydrophobicContact CB-CB 4.21Å; L479-A483 HydrophobicContact CD2-CB 4.01Å; L479-A483 HydrophobicContact CG-CB 4.48Å; L479-V484 HydrophobicContact CB-CG2 3.52Å; L479-V484 HydrophobicContact CD1-CG2 4.32Å; L479-L487 HydrophobicContact CD1-CB 4.45Å; L479-L487 HydrophobicContact CD1-CD2 3.59Å
480	D	85.9	Confident	88.6	Confident	4 Å²	4	16 Å²	16	2%	0.021	8%	0.08	C	C	.	.			trans	-73	156.2	163.2	31.3	13.4	0	0	0	108.7	R456 N482 A483 V484 P656 N657	R456-D480 IonicContact CZ-OD1 2.72Å; R456-D480 IonicContact CZ-OD2 2.69Å; R456-D480 IonicContact NH1-OD1 2.65Å; R456-D480 PolarHBondContact NH1-OD1 2.85Å; R456-D480 IonicContact NH1-OD2 2.66Å; R456-D480 PolarHBondContact NH1-OD2 3.27Å; R456-D480 VanDerWaalsContact NH2-CG 3.26Å; R456-D480 IonicContact NH2-OD1 3.42Å; R456-D480 PolarHBondContact NH2-OD1 2.73Å; R456-D480 IonicContact NH2-OD2 3.86Å; D480-N482 PolarHBondContact O-N 3.45Å; D480-N482 VanDerWaalsContact O-N 3.1Å; D480-A483 PolarHBondContact O-N 2.87Å; D480-A483 WeakPolarHBondContact OD1-CB 3.31Å; D480-V484 PolarHBondContact O-N 3.42Å; D480-P656 WeakPolarHBondContact OD2-CA 3.11Å; D480-N657 HydrophobicContact CB-CB 4.38Å; D480-N657 WeakPolarHBondContact OD2-CB 3.5Å; D480-N657 PolarHBondContact OD2-N 2.81Å
481	L	85.9	Confident	88.5	Confident	6 Å²	6	16 Å²	16	3%	0.031	8%	0.08	C	C	.	.	H	α-helix	trans	-48.5	-42.5	-179.5	-175.1	64.3	0	0	0	112.5	A483 V484 I485 V654 H794 I799 F821 Y824	L481-A483 PolarHBondContact O-N 2.89Å; L481-V484 PolarHBondContact O-N 2.91Å; L481-I485 HydrophobicContact CD1-CD1 4.39Å; L481-I485 HydrophobicContact CG-CD1 3.9Å; L481-I485 WeakPolarHBondContact O-CB 3.32Å; L481-I485 WeakPolarHBondContact O-CD1 3.35Å; L481-I485 VanDerWaalsContact O-CG1 3.28Å; L481-I485 WeakPolarHBondContact O-CG1 3.12Å; L481-I485 PolarHBondContact O-N 2.94Å; L481-V654 HydrophobicContact CD2-CB 4.23Å; L481-V654 HydrophobicContact CD2-CG1 3.63Å; L481-H794 VanDerWaalsContact CD1-O 3.29Å; L481-H794 WeakPolarHBondContact CD1-O 3.49Å; L481-I799 HydrophobicContact CD1-CD1 4.29Å; L481-I799 HydrophobicContact CD2-CD1 4.1Å; L481-F821 HydrophobicContact CD1-CE2 3.71Å; L481-F821 HydrophobicContact CD1-CZ 3.85Å; L481-F821 HydrophobicContact CD2-CE2 3.85Å; L481-F821 HydrophobicContact CG-CE2 4.21Å; L481-F821 HydrophobicContact CG-CZ 4.48Å; L481-Y824 HydrophobicContact CD2-CD1 4.19Å; L481-Y824 HydrophobicContact CD2-CE1 3.94Å
482	N	89.2	Confident	88.4	Confident	34 Å²	34	17.2 Å²	17.2	18%	0.182	9%	0.085	C	C	.	.	H	α-helix	trans	-60	-43	178.4	-52.9	64.8	0	0	0	112.6	D480 W486 Y824 V828	D480-N482 PolarHBondContact O-N 3.45Å; D480-N482 VanDerWaalsContact O-N 3.1Å; N482-W486 PolarHBondContact O-N 2.91Å; N482-W486 VanDerWaalsContact O-N 3.07Å; N482-Y824 PolarHBondContact ND2-OH 3.17Å; N482-V828 HydrophobicContact CB-CG1 4Å; N482-V828 WeakPolarHBondContact ND2-CG2 3.45Å
483	A	90.3	Very high	88.3	Confident	0 Å²	0	19.5 Å²	19.5	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-76.5	-28.3	177	0	0	0	0	0	112.8	L435 L479 D480 L481 L487	L435-A483 HydrophobicContact CD2-CB 4.4Å; L479-A483 HydrophobicContact CB-CB 4.21Å; L479-A483 HydrophobicContact CD2-CB 4.01Å; L479-A483 HydrophobicContact CG-CB 4.48Å; D480-A483 PolarHBondContact O-N 2.87Å; D480-A483 WeakPolarHBondContact OD1-CB 3.31Å; L481-A483 PolarHBondContact O-N 2.89Å; A483-L487 WeakPolarHBondContact O-CB 3.38Å; A483-L487 PolarHBondContact O-N 3.16Å
484	V	90.5	Very high	88.3	Confident	7 Å²	7	18.4 Å²	18.4	4%	0.042	10%	0.102	C	C	.	.	H	α-helix	trans	-66.1	-45.1	170	175.9	0	0	0	0	110.7	T476 L479 D480 L481 W486 L487 N488 H794	T476-V484 HydrophobicContact CG2-CG1 4.1Å; T476-V484 HydrophobicContact CG2-CG2 4.16Å; L479-V484 HydrophobicContact CB-CG2 3.52Å; L479-V484 HydrophobicContact CD1-CG2 4.32Å; D480-V484 PolarHBondContact O-N 3.42Å; L481-V484 PolarHBondContact O-N 2.91Å; V484-W486 PolarHBondContact O-N 3.18Å; V484-L487 PolarHBondContact O-N 3.37Å; V484-N488 VanDerWaalsContact O-CB 3.23Å; V484-N488 WeakPolarHBondContact O-CB 3.4Å; V484-N488 PolarHBondContact O-N 3.17Å; V484-H794 HydrophobicContact CG2-CB 4.05Å
485	I	91.2	Very high	88.5	Confident	9 Å²	9	25.9 Å²	25.9	5%	0.046	13%	0.134	C	C	.	.	H	α-helix	trans	-56.6	-50.3	174.8	-73.3	161.1	0	0	0	110.6	L481 N489 F821 Y824 K825 V828 L829	L481-I485 HydrophobicContact CD1-CD1 4.39Å; L481-I485 HydrophobicContact CG-CD1 3.9Å; L481-I485 WeakPolarHBondContact O-CB 3.32Å; L481-I485 WeakPolarHBondContact O-CD1 3.35Å; L481-I485 VanDerWaalsContact O-CG1 3.28Å; L481-I485 WeakPolarHBondContact O-CG1 3.12Å; L481-I485 PolarHBondContact O-N 2.94Å; I485-N489 PolarHBondContact O-N 3.16Å; I485-N489 VanDerWaalsContact O-N 3.14Å; I485-F821 HydrophobicContact CD1-CZ 4.19Å; I485-F821 HydrophobicContact CG1-CZ 4.33Å; I485-Y824 HydrophobicContact CD1-CD1 4.4Å; I485-K825 HydrophobicContact CD1-CB 4.45Å; I485-K825 HydrophobicContact CG1-CG 4.31Å; I485-K825 HydrophobicContact CG2-CG 3.86Å; I485-V828 HydrophobicContact CG2-CG1 4.17Å; I485-L829 HydrophobicContact CG2-CD1 4.35Å; I485-L829 HydrophobicContact CG2-CD2 4.11Å; I485-L829 HydrophobicContact CG2-CG 3.96Å
486	W	92.5	Very high	88.8	Confident	1 Å²	1	28.7 Å²	28.7	0%	0.004	14%	0.144	C	C	.	.	H	α-helix	trans	-64.1	-46.8	177.7	-179.7	85.2	0	0	0	112.5	I431 G434 L435 L463 N482 V484 N488 N489 Y490 L832 E834	I431-W486 HydrophobicContact CB-CH2 4.15Å; I431-W486 HydrophobicContact CG1-CH2 4.09Å; I431-W486 HydrophobicContact CG1-CZ2 4.44Å; I431-W486 HydrophobicContact CG2-CH2 4.01Å; G434-W486 VanDerWaalsContact CA-CD2 3.48Å; G434-W486 VanDerWaalsContact CA-CG 3.47Å; G434-W486 WeakPolarHBondContact O-CB 3.29Å; L435-W486 HydrophobicContact CD2-CE3 4.09Å; L435-W486 HydrophobicContact CD2-CZ3 4.08Å; L435-W486 HydrophobicContact CG-CE3 4.14Å; L435-W486 HydrophobicContact CG-CZ3 3.9Å; L463-W486 HydrophobicContact CD1-CH2 4.38Å; L463-W486 HydrophobicContact CD1-CZ3 4.05Å; N482-W486 PolarHBondContact O-N 2.91Å; N482-W486 VanDerWaalsContact O-N 3.07Å; V484-W486 PolarHBondContact O-N 3.18Å; W486-N488 VanDerWaalsContact C-N 3.33Å; W486-N488 PolarHBondContact O-N 3.26Å; W486-N489 PolarHBondContact O-N 3.42Å; W486-Y490 HydrophobicContact CH2-CD1 4.01Å; W486-Y490 AromaticContact CH2-CD2 3.63Å; W486-Y490 HydrophobicContact CH2-CD2 3.63Å; W486-Y490 HydrophobicContact CH2-CE1 4.42Å; W486-Y490 HydrophobicContact CH2-CE2 4.08Å; W486-Y490 AromaticContact CH2-CG 3.59Å; W486-Y490 HydrophobicContact CH2-CG 3.59Å; W486-Y490 AromaticContact CZ2-CD2 3.41Å; W486-Y490 HydrophobicContact CZ2-CD2 3.41Å; W486-Y490 VanDerWaalsContact CZ2-CD2 3.41Å; W486-Y490 HydrophobicContact CZ2-CE2 4Å; W486-Y490 AromaticContact CZ2-CG 3.76Å; W486-Y490 HydrophobicContact CZ2-CG 3.76Å; W486-Y490 HydrophobicContact CZ3-CG 4.22Å; W486-Y490 WeakPolarHBondContact O-CB 3.31Å; W486-Y490 PolarHBondContact O-N 3.34Å; W486-L832 HydrophobicContact CB-CD1 4.15Å; W486-L832 HydrophobicContact CG-CD1 4.24Å; W486-E834 PolarHBondContact NE1-OE1 2.8Å
487	L	92.5	Very high	89.2	Confident	0 Å²	0	29 Å²	29	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-61.8	-41	-178.6	-179.9	67.3	0	0	0	111.7	L459 L463 P475 L479 A483 V484 Y490 L491 F507	L459-L487 HydrophobicContact CD2-CD1 4.36Å; L459-L487 HydrophobicContact CD2-CD2 4.13Å; L463-L487 HydrophobicContact CD1-CD1 3.69Å; L463-L487 HydrophobicContact CD2-CD1 4.27Å; P475-L487 HydrophobicContact CB-CD2 4.36Å; L479-L487 HydrophobicContact CD1-CB 4.45Å; L479-L487 HydrophobicContact CD1-CD2 3.59Å; A483-L487 WeakPolarHBondContact O-CB 3.38Å; A483-L487 PolarHBondContact O-N 3.16Å; V484-L487 PolarHBondContact O-N 3.37Å; L487-Y490 PolarHBondContact O-N 3.31Å; L487-L491 HydrophobicContact CD1-CD1 3.79Å; L487-L491 HydrophobicContact CD1-CG 4Å; L487-L491 HydrophobicContact CD2-CD1 4.4Å; L487-L491 HydrophobicContact CG-CD1 3.81Å; L487-L491 HydrophobicContact CG-CG 4.33Å; L487-L491 WeakPolarHBondContact O-CB 3.37Å; L487-L491 VanDerWaalsContact O-CG 3.3Å; L487-L491 WeakPolarHBondContact O-CG 3.33Å; L487-L491 PolarHBondContact O-N 3.3Å; L487-F507 HydrophobicContact CD2-CE2 4.06Å; L487-F507 HydrophobicContact CD2-CZ 4.44Å; L487-F507 HydrophobicContact CG-CE2 4.16Å
488	N	91.4	Very high	89.9	Confident	13 Å²	13	28.1 Å²	28.1	7%	0.07	14%	0.142	C	C	.	.	H	α-helix	trans	-57.8	-56.8	173.5	178	-15.3	0	0	0	110	V484 W486 Y490 L491 Q492 F507 D510	V484-N488 VanDerWaalsContact O-CB 3.23Å; V484-N488 WeakPolarHBondContact O-CB 3.4Å; V484-N488 PolarHBondContact O-N 3.17Å; W486-N488 VanDerWaalsContact C-N 3.33Å; W486-N488 PolarHBondContact O-N 3.26Å; N488-Y490 VanDerWaalsContact C-N 3.28Å; N488-Y490 PolarHBondContact O-N 3.31Å; N488-L491 PolarHBondContact O-N 3.13Å; N488-L491 VanDerWaalsContact O-N 3.14Å; N488-Q492 WeakPolarHBondContact O-CG 3.42Å; N488-Q492 PolarHBondContact O-N 3.22Å; N488-Q492 PolarHBondContact OD1-NE2 2.96Å; N488-F507 HydrophobicContact CB-CD2 4.13Å; N488-F507 HydrophobicContact CB-CE2 4.48Å; N488-D510 PolarHBondContact ND2-OD2 2.84Å; N488-D510 VanDerWaalsContact OD1-CB 3.26Å; N488-D510 WeakPolarHBondContact OD1-CB 3.35Å; N488-D510 PolarHBondContact OD1-OD2 2.66Å
489	N	92.1	Very high	90.9	Very high	14 Å²	14	23.7 Å²	23.7	8%	0.075	12%	0.121	C	C	.	.	H	α-helix	trans	-56.4	-40.7	179.4	-165.2	66.9	0	0	0	112.6	I485 W486 L829 V835 V837	I485-N489 PolarHBondContact O-N 3.16Å; I485-N489 VanDerWaalsContact O-N 3.14Å; W486-N489 PolarHBondContact O-N 3.42Å; N489-L829 HydrophobicContact CB-CD2 4.05Å; N489-V835 PolarHBondContact ND2-O 2.98Å; N489-V837 WeakPolarHBondContact OD1-CG2 3.38Å; N489-V837 PolarHBondContact OD1-N 3.08Å
490	Y	92.3	Very high	91.4	Very high	42 Å²	42	23.5 Å²	23.5	17%	0.165	12%	0.12	C	C	.	.	H	α-helix	trans	-67	-42.6	177.4	-172.6	-95.6	0	0	0	112.8	I431 L463 W486 L487 N488 G493 W494	I431-Y490 HydrophobicContact CG1-CE2 4.29Å; L463-Y490 HydrophobicContact CB-CE1 4.03Å; L463-Y490 HydrophobicContact CD1-CD1 4.43Å; L463-Y490 HydrophobicContact CD1-CE1 4.41Å; L463-Y490 HydrophobicContact CD2-CD1 4.15Å; L463-Y490 HydrophobicContact CD2-CE1 3.97Å; L463-Y490 HydrophobicContact CG-CE1 4.36Å; W486-Y490 HydrophobicContact CH2-CD1 4.01Å; W486-Y490 AromaticContact CH2-CD2 3.63Å; W486-Y490 HydrophobicContact CH2-CD2 3.63Å; W486-Y490 HydrophobicContact CH2-CE1 4.42Å; W486-Y490 HydrophobicContact CH2-CE2 4.08Å; W486-Y490 AromaticContact CH2-CG 3.59Å; W486-Y490 HydrophobicContact CH2-CG 3.59Å; W486-Y490 AromaticContact CZ2-CD2 3.41Å; W486-Y490 HydrophobicContact CZ2-CD2 3.41Å; W486-Y490 VanDerWaalsContact CZ2-CD2 3.41Å; W486-Y490 HydrophobicContact CZ2-CE2 4Å; W486-Y490 AromaticContact CZ2-CG 3.76Å; W486-Y490 HydrophobicContact CZ2-CG 3.76Å; W486-Y490 HydrophobicContact CZ3-CG 4.22Å; W486-Y490 WeakPolarHBondContact O-CB 3.31Å; W486-Y490 PolarHBondContact O-N 3.34Å; L487-Y490 PolarHBondContact O-N 3.31Å; N488-Y490 VanDerWaalsContact C-N 3.28Å; N488-Y490 PolarHBondContact O-N 3.31Å; Y490-G493 PolarHBondContact O-N 2.93Å; Y490-W494 HydrophobicContact CE1-CE3 4.04Å; Y490-W494 AromaticContact CE1-CZ3 3.89Å; Y490-W494 HydrophobicContact CE1-CZ3 3.89Å
491	L	92.8	Very high	91.7	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-76.4	-23.5	-179.5	-70	176.6	0	0	0	113.6	L463 L472 L487 N488 G493 W494 L498 I500 F507 V511	L463-L491 HydrophobicContact CD2-CD2 3.77Å; L472-L491 HydrophobicContact CD1-CD1 4.1Å; L487-L491 HydrophobicContact CD1-CD1 3.79Å; L487-L491 HydrophobicContact CD1-CG 4Å; L487-L491 HydrophobicContact CD2-CD1 4.4Å; L487-L491 HydrophobicContact CG-CD1 3.81Å; L487-L491 HydrophobicContact CG-CG 4.33Å; L487-L491 WeakPolarHBondContact O-CB 3.37Å; L487-L491 VanDerWaalsContact O-CG 3.3Å; L487-L491 WeakPolarHBondContact O-CG 3.33Å; L487-L491 PolarHBondContact O-N 3.3Å; N488-L491 PolarHBondContact O-N 3.13Å; N488-L491 VanDerWaalsContact O-N 3.14Å; L491-G493 PolarHBondContact O-N 2.84Å; L491-W494 HydrophobicContact CD2-CD2 4.4Å; L491-W494 HydrophobicContact CD2-CE3 4.28Å; L491-W494 WeakPolarHBondContact O-CB 3.42Å; L491-W494 PolarHBondContact O-N 3.38Å; L491-W494 VanDerWaalsContact O-N 3.1Å; L491-L498 HydrophobicContact CB-CD1 4.41Å; L491-L498 HydrophobicContact CD2-CD1 3.99Å; L491-L498 HydrophobicContact CD2-CD2 4.41Å; L491-I500 HydrophobicContact CD1-CD1 4.12Å; L491-F507 HydrophobicContact CD1-CE2 4.2Å; L491-F507 HydrophobicContact CD1-CZ 3.67Å; L491-V511 HydrophobicContact CB-CG1 3.87Å; L491-V511 HydrophobicContact CB-CG2 4.07Å
492	Q	91.3	Very high	91.8	Very high	26 Å²	26	23 Å²	23	12%	0.121	12%	0.118	C	C	.	.	H	α-helix	trans	-59.8	-37.1	167.7	-72.1	-169.6	45.9	0	0	111.9	N488 W494 D510 V837	N488-Q492 WeakPolarHBondContact O-CG 3.42Å; N488-Q492 PolarHBondContact O-N 3.22Å; N488-Q492 PolarHBondContact OD1-NE2 2.96Å; Q492-W494 PolarHBondContact O-N 3.44Å; Q492-D510 WeakPolarHBondContact CG-O 3.44Å; Q492-V837 HydrophobicContact CB-CB 4.38Å; Q492-V837 HydrophobicContact CB-CG1 4.12Å
493	G	89.6	Confident	91.6	Very high	48 Å²	48	21.9 Å²	21.9	50%	0.495	11%	0.111	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.1	-4.9	175	0	0	0	0	0	115.1	Y490 L491	Y490-G493 PolarHBondContact O-N 2.93Å; L491-G493 PolarHBondContact O-N 2.84Å
494	W	91.4	Very high	91.5	Very high	13 Å²	13	22.2 Å²	22.2	5%	0.049	11%	0.113	C	C	.	.			trans	-77.7	128.1	-171.3	-165.4	-89.8	0	0	0	112.9	R328 L463 E466 L470 Y490 L491 Q492 K496 L498	R328-W494 PolarHBondContact NH1-O 2.81Å; L463-W494 HydrophobicContact CD2-CZ3 4.25Å; E466-W494 HydrophobicContact CB-CH2 3.94Å; E466-W494 HydrophobicContact CB-CZ2 4.29Å; E466-W494 HydrophobicContact CG-CH2 3.74Å; E466-W494 HydrophobicContact CG-CZ2 4.48Å; E466-W494 HydrophobicContact CG-CZ3 4Å; L470-W494 HydrophobicContact CB-CZ2 4.15Å; L470-W494 HydrophobicContact CD2-CH2 3.88Å; L470-W494 HydrophobicContact CD2-CZ2 3.74Å; Y490-W494 HydrophobicContact CE1-CE3 4.04Å; Y490-W494 AromaticContact CE1-CZ3 3.89Å; Y490-W494 HydrophobicContact CE1-CZ3 3.89Å; L491-W494 HydrophobicContact CD2-CD2 4.4Å; L491-W494 HydrophobicContact CD2-CE3 4.28Å; L491-W494 WeakPolarHBondContact O-CB 3.42Å; L491-W494 PolarHBondContact O-N 3.38Å; L491-W494 VanDerWaalsContact O-N 3.1Å; Q492-W494 PolarHBondContact O-N 3.44Å; W494-K496 PolarHBondContact NE1-O 3.46Å; W494-L498 HydrophobicContact CB-CD1 4.19Å; W494-L498 VanDerWaalsContact CD1-CD2 3.42Å; W494-L498 VanDerWaalsContact CD1-CG 3.47Å; W494-L498 HydrophobicContact CD2-CD2 4.2Å; W494-L498 HydrophobicContact CG-CD1 4.13Å; W494-L498 HydrophobicContact CG-CD2 4Å; W494-L498 HydrophobicContact CG-CG 4.15Å; W494-L498 HydrophobicContact CZ2-CD2 4.39Å
495	K	89.8	Confident	91.3	Very high	189 Å²	189	22.1 Å²	22.1	82%	0.822	11%	0.112	S	C	*	.			trans	-106	-13.3	-172.8	-58.3	-179.1	-177	177.6	0	114.8
496	K	92.6	Very high	91.1	Very high	79 Å²	79	22.8 Å²	22.8	34%	0.343	12%	0.121	S	C	.	.	S	Bend	trans	-90.2	178.7	175.5	-68.9	166.3	177.7	168.5	0	109.5	E466 W494	E466-K496 HydrophobicContact CB-CD 4.01Å; E466-K496 VanDerWaalsContact O-CD 3.32Å; E466-K496 WeakPolarHBondContact O-CD 3.41Å; E466-K496 WeakPolarHBondContact O-CE 3.45Å; E466-K496 PolarHBondContact O-NZ 3.15Å; E466-K496 IonicContact OE2-NZ 3.66Å; E466-K496 PolarHBondContact OE2-NZ 3.24Å; W494-K496 PolarHBondContact NE1-O 3.46Å
497	T	94	Very high	90.9	Very high	8 Å²	8	22.8 Å²	22.8	5%	0.049	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	134.3	-175.6	-31.5	0	0	0	0	110.7	I323 G326 R327 T468 L469 L470	I323-T497 HydrophobicContact CG2-CG2 3.6Å; G326-T497 PolarHBondContact N-OG1 3.16Å; R327-T497 WeakPolarHBondContact O-CA 2.98Å; R327-T497 WeakPolarHBondContact O-CG2 3.15Å; T468-T497 WeakPolarHBondContact O-CB 3.32Å; T468-T497 PolarHBondContact O-N 3.23Å; T468-T497 VanDerWaalsContact O-N 3.16Å; T468-T497 PolarHBondContact O-OG1 3.48Å; L469-T497 HydrophobicContact CD1-CG2 3.93Å; L470-T497 PolarHBondContact N-O 3.45Å
498	L	94.9	Very high	90.9	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	142.3	171.5	-61.6	-178.8	0	0	0	110.6	R327 R328 Y329 L470 L491 W494 I500 V511	R327-L498 PolarHBondContact O-N 2.95Å; R328-L498 HydrophobicContact CB-CB 4.16Å; R328-L498 HydrophobicContact CB-CD1 4.34Å; R328-L498 HydrophobicContact CG-CB 4.08Å; R328-L498 HydrophobicContact CG-CD1 3.84Å; R328-L498 HydrophobicContact CG-CG 3.99Å; Y329-L498 PolarHBondContact N-O 2.87Å; L470-L498 HydrophobicContact CB-CD2 3.82Å; L470-L498 HydrophobicContact CD2-CD2 3.96Å; L470-L498 HydrophobicContact CG-CD2 4.17Å; L470-L498 WeakPolarHBondContact O-CA 3.29Å; L491-L498 HydrophobicContact CB-CD1 4.41Å; L491-L498 HydrophobicContact CD2-CD1 3.99Å; L491-L498 HydrophobicContact CD2-CD2 4.41Å; W494-L498 HydrophobicContact CB-CD1 4.19Å; W494-L498 VanDerWaalsContact CD1-CD2 3.42Å; W494-L498 VanDerWaalsContact CD1-CG 3.47Å; W494-L498 HydrophobicContact CD2-CD2 4.2Å; W494-L498 HydrophobicContact CG-CD1 4.13Å; W494-L498 HydrophobicContact CG-CD2 4Å; W494-L498 HydrophobicContact CG-CG 4.15Å; W494-L498 HydrophobicContact CZ2-CD2 4.39Å; L498-I500 HydrophobicContact CB-CG1 4.3Å; L498-I500 HydrophobicContact CD1-CD1 4.1Å; L498-V511 HydrophobicContact CD1-CG1 4.06Å
499	L	94.7	Very high	90.9	Very high	1 Å²	1	23.4 Å²	23.4	1%	0.005	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	107.6	162.3	177.5	62.2	0	0	0	108.4	I323 Y329 L331 L343 I346 L469 L470 M471 L472 I516	I323-L499 HydrophobicContact CD1-CD2 4.07Å; Y329-L499 WeakPolarHBondContact O-CA 3.46Å; L331-L499 HydrophobicContact CB-CD1 4.06Å; L343-L499 HydrophobicContact CD2-CD2 3.57Å; L343-L499 HydrophobicContact CD2-CG 4Å; I346-L499 HydrophobicContact CD1-CD2 4.16Å; L469-L499 HydrophobicContact CD1-CB 4.12Å; L470-L499 PolarHBondContact O-N 3.17Å; M471-L499 VanDerWaalsContact CA-O 3.29Å; M471-L499 WeakPolarHBondContact CA-O 3.33Å; M471-L499 HydrophobicContact CG-CB 4.27Å; M471-L499 HydrophobicContact SD-CD2 4.07Å; L472-L499 PolarHBondContact N-O 2.83Å; L499-I516 HydrophobicContact CD1-CD1 3.91Å
500	I	93.8	Very high	90.8	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	125.2	-175.9	-50.2	176	0	0	0	109.3	Y329 G330 L331 L472 P475 L491 L498 F507 V511	Y329-I500 PolarHBondContact O-N 3.43Å; G330-I500 CarbonylContact C-O 3.58Å; G330-I500 WeakPolarHBondContact CA-O 3.31Å; L331-I500 PolarHBondContact N-O 3.43Å; L472-I500 HydrophobicContact CB-CG1 4.38Å; L472-I500 HydrophobicContact CB-CG2 4.16Å; L472-I500 HydrophobicContact CD1-CD1 4.34Å; L472-I500 HydrophobicContact CD1-CG1 4.28Å; L472-I500 WeakPolarHBondContact O-CA 3.22Å; P475-I500 HydrophobicContact CG-CG2 3.98Å; L491-I500 HydrophobicContact CD1-CD1 4.12Å; L498-I500 HydrophobicContact CB-CG1 4.3Å; L498-I500 HydrophobicContact CD1-CD1 4.1Å; I500-F507 HydrophobicContact CD1-CE1 3.73Å; I500-F507 HydrophobicContact CD1-CZ 4.01Å; I500-F507 HydrophobicContact CG2-CE1 3.98Å; I500-V511 HydrophobicContact CD1-CG1 3.92Å
501	V	92.3	Very high	90.7	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	127.7	160.9	174.5	0	0	0	0	107.7	L331 K339 L343 L472 D473 E474 P475	L331-V501 HydrophobicContact CB-CG2 3.86Å; L331-V501 HydrophobicContact CD2-CG2 3.73Å; L331-V501 HydrophobicContact CG-CG2 3.9Å; K339-V501 HydrophobicContact CB-CG1 4.01Å; K339-V501 HydrophobicContact CB-CG2 4.03Å; K339-V501 HydrophobicContact CD-CG1 3.89Å; L343-V501 HydrophobicContact CD1-CB 4.47Å; L343-V501 HydrophobicContact CD1-CG2 3.75Å; L343-V501 HydrophobicContact CG-CG2 4.25Å; L472-V501 PolarHBondContact O-N 2.79Å; D473-V501 VanDerWaalsContact OD1-CB 3.25Å; D473-V501 WeakPolarHBondContact OD1-CB 3.45Å; D473-V501 WeakPolarHBondContact OD1-CG1 3.3Å; E474-V501 VanDerWaalsContact CA-O 3.26Å; E474-V501 WeakPolarHBondContact CA-O 3.39Å; E474-V501 HydrophobicContact CG-CG1 3.76Å; E474-V501 PolarHBondContact N-O 2.9Å; P475-V501 WeakPolarHBondContact CD-O 3.2Å
502	S	89.1	Confident	90.8	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	12%	0.123	C	C	.	.			trans	-154	160.6	173.9	-172.1	0	0	0	0	111	D504	S502-D504 PolarHBondContact OG-N 3.23Å; S502-D504 VanDerWaalsContact OG-N 3.11Å
503	H	85.6	Confident	90.9	Very high	9 Å²	9	23.7 Å²	23.7	4%	0.042	13%	0.131	C	C	.	.			trans	-113.1	-5	167.3	-70.2	-75.2	0	0	0	113.3	G333 N335 K339 E474 Q505 D771 I772 I775	G333-H503 PolarHBondContact O-CE1 2.85Å; N335-H503 PolarHBondContact ND2-NE2 2.99Å; N335-H503 VanDerWaalsContact ND2-NE2 3.11Å; N335-H503 PolarHBondContact OD1-CE1 3.33Å; N335-H503 PolarHBondContact OD1-NE2 3.09Å; K339-H503 PolarHBondContact NZ-NE2 3.47Å; E474-H503 IonicContact OE1-CD2 3.42Å; E474-H503 PolarHBondContact OE1-CD2 3.43Å; E474-H503 IonicContact OE1-NE2 3.83Å; E474-H503 PolarHBondContact OE1-NE2 2.91Å; H503-Q505 PolarHBondContact O-N 2.99Å; H503-D771 VanDerWaalsContact CE1-CB 3.44Å; H503-D771 WeakPolarHBondContact CE1-CB 3.42Å; H503-I772 HydrophobicContact CB-CG1 4.17Å; H503-I772 WeakPolarHBondContact O-CG1 3.34Å; H503-I775 HydrophobicContact CB-CD1 4.4Å
504	D	87.4	Confident	91.1	Very high	7 Å²	7	22 Å²	22	4%	0.037	11%	0.111	C	C	.	.			trans	-72.6	112.7	171.5	178.8	-23.4	0	0	0	109.4	T476 S502 G506 F507 L508	T476-D504 HydrophobicContact CG2-CB 4.39Å; S502-D504 PolarHBondContact OG-N 3.23Å; S502-D504 VanDerWaalsContact OG-N 3.11Å; D504-G506 WeakPolarHBondContact OD1-CA 3.34Å; D504-G506 PolarHBondContact OD1-N 2.8Å; D504-F507 HydrophobicContact CB-CB 3.84Å; D504-F507 PolarHBondContact OD1-N 3.22Å; D504-F507 WeakPolarHBondContact OD2-CB 3.3Å; D504-L508 WeakPolarHBondContact O-CB 3.39Å; D504-L508 WeakPolarHBondContact O-CD1 3.42Å; D504-L508 WeakPolarHBondContact O-CG 3.38Å; D504-L508 PolarHBondContact O-N 2.77Å
505	Q	86.1	Confident	91.3	Very high	5 Å²	5	21.4 Å²	21.4	2%	0.023	11%	0.109	C	C	.	.	H	α-helix	trans	-69.9	-32.6	-178.8	-68.6	-180	88.7	0	0	112.7	H503 D509 Y530 I772 D776 R797	H503-Q505 PolarHBondContact O-N 2.99Å; Q505-D509 WeakPolarHBondContact O-CB 3.35Å; Q505-D509 PolarHBondContact O-N 2.98Å; Q505-D509 VanDerWaalsContact O-N 3.16Å; Q505-Y530 HydrophobicContact CB-CD1 4.17Å; Q505-Y530 HydrophobicContact CB-CE1 4.36Å; Q505-Y530 HydrophobicContact CG-CD1 4.06Å; Q505-Y530 HydrophobicContact CG-CE1 3.75Å; Q505-I772 HydrophobicContact CG-CB 4.49Å; Q505-I772 HydrophobicContact CG-CD1 4.38Å; Q505-I772 HydrophobicContact CG-CG1 4.28Å; Q505-I772 HydrophobicContact CG-CG2 3.5Å; Q505-I772 VanDerWaalsContact CG-CG2 3.5Å; Q505-D776 PolarHBondContact NE2-OD1 3.01Å; Q505-D776 PolarHBondContact OE1-OD1 3.47Å; Q505-R797 VanDerWaalsContact NE2-NH1 3.11Å
506	G	86.8	Confident	91.5	Very high	23 Å²	23	12.5 Å²	12.5	24%	0.237	7%	0.07	C	C	.	.	H	α-helix	trans	-73.8	-47.6	-179.4	0	0	0	0	0	111.4	D504 L508 D509 D510	D504-G506 WeakPolarHBondContact OD1-CA 3.34Å; D504-G506 PolarHBondContact OD1-N 2.8Å; G506-L508 VanDerWaalsContact C-N 3.32Å; G506-L508 PolarHBondContact O-N 2.81Å; G506-D509 PolarHBondContact O-N 3.47Å; G506-D509 VanDerWaalsContact O-N 3.09Å; G506-D510 PolarHBondContact O-N 2.61Å
507	F	89.1	Confident	91.6	Very high	1 Å²	1	9.5 Å²	9.5	0%	0.004	6%	0.057	C	C	.	.	H	α-helix	trans	-57.3	-42.8	173.9	179.5	-80.5	0	0	0	112.1	T476 L487 N488 L491 I500 D504 D509 V511	T476-F507 HydrophobicContact CG2-CD2 4.12Å; T476-F507 HydrophobicContact CG2-CE2 4.48Å; T476-F507 HydrophobicContact CG2-CG 4.34Å; L487-F507 HydrophobicContact CD2-CE2 4.06Å; L487-F507 HydrophobicContact CD2-CZ 4.44Å; L487-F507 HydrophobicContact CG-CE2 4.16Å; N488-F507 HydrophobicContact CB-CD2 4.13Å; N488-F507 HydrophobicContact CB-CE2 4.48Å; L491-F507 HydrophobicContact CD1-CE2 4.2Å; L491-F507 HydrophobicContact CD1-CZ 3.67Å; I500-F507 HydrophobicContact CD1-CE1 3.73Å; I500-F507 HydrophobicContact CD1-CZ 4.01Å; I500-F507 HydrophobicContact CG2-CE1 3.98Å; D504-F507 HydrophobicContact CB-CB 3.84Å; D504-F507 PolarHBondContact OD1-N 3.22Å; D504-F507 WeakPolarHBondContact OD2-CB 3.3Å; F507-D509 VanDerWaalsContact C-N 3.32Å; F507-D509 PolarHBondContact O-N 3.27Å; F507-V511 HydrophobicContact CD1-CG2 4.4Å; F507-V511 HydrophobicContact CD2-CG2 4.4Å; F507-V511 HydrophobicContact CE1-CB 4.41Å; F507-V511 HydrophobicContact CE1-CG2 4.21Å; F507-V511 HydrophobicContact CE2-CG2 4.23Å; F507-V511 HydrophobicContact CG-CG2 4.48Å; F507-V511 HydrophobicContact CZ-CG2 4.14Å; F507-V511 WeakPolarHBondContact O-CB 3.26Å; F507-V511 WeakPolarHBondContact O-CG2 3.39Å; F507-V511 PolarHBondContact O-N 2.9Å
508	L	91.6	Very high	91.4	Very high	0 Å²	0	9.3 Å²	9.3	0%	0	6%	0.056	C	C	.	.	H	α-helix	trans	-66	-33.3	176.2	-74.2	169.4	0	0	0	112.7	V332 D504 G506 C512 Y530 I772	V332-L508 HydrophobicContact CG1-CD1 3.53Å; V332-L508 HydrophobicContact CG1-CD2 4.44Å; D504-L508 WeakPolarHBondContact O-CB 3.39Å; D504-L508 WeakPolarHBondContact O-CD1 3.42Å; D504-L508 WeakPolarHBondContact O-CG 3.38Å; D504-L508 PolarHBondContact O-N 2.77Å; G506-L508 VanDerWaalsContact C-N 3.32Å; G506-L508 PolarHBondContact O-N 2.81Å; L508-C512 VanDerWaalsContact O-CB 3.23Å; L508-C512 WeakPolarHBondContact O-CB 3.37Å; L508-C512 PolarHBondContact O-N 2.91Å; L508-C512 VanDerWaalsContact O-N 3.16Å; L508-Y530 HydrophobicContact CB-CD2 4.39Å; L508-Y530 HydrophobicContact CB-CG 4.35Å; L508-Y530 HydrophobicContact CD1-CD2 3.99Å; L508-Y530 HydrophobicContact CD1-CE2 4.44Å; L508-I772 HydrophobicContact CD1-CD1 4.48Å
509	D	91.1	Very high	91	Very high	27 Å²	27	11.7 Å²	11.7	14%	0.144	7%	0.069	C	C	.	.	H	α-helix	trans	-74.9	-40.7	178.6	-147.6	82.1	0	0	0	112.5	Q505 G506 F507 N529 Y530 M531 R839	Q505-D509 WeakPolarHBondContact O-CB 3.35Å; Q505-D509 PolarHBondContact O-N 2.98Å; Q505-D509 VanDerWaalsContact O-N 3.16Å; G506-D509 PolarHBondContact O-N 3.47Å; G506-D509 VanDerWaalsContact O-N 3.09Å; F507-D509 VanDerWaalsContact C-N 3.32Å; F507-D509 PolarHBondContact O-N 3.27Å; D509-N529 VanDerWaalsContact CG-ND2 3.28Å; D509-N529 VanDerWaalsContact OD1-CB 3.23Å; D509-N529 WeakPolarHBondContact OD1-CB 3.38Å; D509-N529 PolarHBondContact OD1-ND2 3.05Å; D509-N529 VanDerWaalsContact OD1-ND2 3.11Å; D509-N529 PolarHBondContact OD2-ND2 3.09Å; D509-Y530 PolarHBondContact OD1-N 3.11Å; D509-M531 WeakPolarHBondContact OD1-CB 3.41Å; D509-M531 WeakPolarHBondContact OD1-CG 3.34Å; D509-M531 PolarHBondContact OD1-N 3.02Å; D509-R839 PolarHBondContact O-NH1 3.29Å; D509-R839 PolarHBondContact O-NH2 3.41Å
510	D	90.1	Very high	90.5	Very high	36 Å²	36	16.1 Å²	16.1	19%	0.193	10%	0.096	C	C	.	.	H	α-helix	trans	-71.3	-39	177.7	-87.1	-12.4	0	0	0	113	N488 Q492 G506 K825 R839	N488-D510 PolarHBondContact ND2-OD2 2.84Å; N488-D510 VanDerWaalsContact OD1-CB 3.26Å; N488-D510 WeakPolarHBondContact OD1-CB 3.35Å; N488-D510 PolarHBondContact OD1-OD2 2.66Å; Q492-D510 WeakPolarHBondContact CG-O 3.44Å; G506-D510 PolarHBondContact O-N 2.61Å; D510-K825 IonicContact OD2-NZ 3.5Å; D510-R839 VanDerWaalsContact O-CZ 3.27Å; D510-R839 PolarHBondContact O-NH2 2.61Å
511	V	91.6	Very high	90.3	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-94.3	-43.3	-173.6	-179.5	0	0	0	0	113.1	R328 L491 L498 I500 F507	R328-V511 PolarHBondContact NE-O 3.5Å; L491-V511 HydrophobicContact CB-CG1 3.87Å; L491-V511 HydrophobicContact CB-CG2 4.07Å; L498-V511 HydrophobicContact CD1-CG1 4.06Å; I500-V511 HydrophobicContact CD1-CG1 3.92Å; F507-V511 HydrophobicContact CD1-CG2 4.4Å; F507-V511 HydrophobicContact CD2-CG2 4.4Å; F507-V511 HydrophobicContact CE1-CB 4.41Å; F507-V511 HydrophobicContact CE1-CG2 4.21Å; F507-V511 HydrophobicContact CE2-CG2 4.23Å; F507-V511 HydrophobicContact CG-CG2 4.48Å; F507-V511 HydrophobicContact CZ-CG2 4.14Å; F507-V511 WeakPolarHBondContact O-CB 3.26Å; F507-V511 WeakPolarHBondContact O-CG2 3.39Å; F507-V511 PolarHBondContact O-N 2.9Å
512	C	94	Very high	90.2	Very high	3 Å²	3	24.5 Å²	24.5	2%	0.02	13%	0.131	C	C	.	.			trans	-81.6	149.5	-167.1	-59.4	0	0	0	0	114.3	R328 G330 L508 I515	R328-C512 CarbonylContact O-C 3.57Å; R328-C512 WeakPolarHBondContact O-CA 3.25Å; R328-C512 WeakPolarHBondContact O-CB 3.31Å; G330-C512 VanDerWaalsContact CA-SG 3.51Å; G330-C512 PolarHBondContact N-SG 2.88Å; L508-C512 VanDerWaalsContact O-CB 3.23Å; L508-C512 WeakPolarHBondContact O-CB 3.37Å; L508-C512 PolarHBondContact O-N 2.91Å; L508-C512 VanDerWaalsContact O-N 3.16Å; C512-I515 HydrophobicContact CB-CD1 3.94Å
513	T	92.8	Very high	90.3	Very high	48 Å²	48	25 Å²	25	29%	0.294	13%	0.134	S	C	.	.	S	Bend	trans	-104.5	-23.6	172.4	59.7	0	0	0	0	112.6	R328 G528	R328-T513 HydrophobicContact CB-CG2 4.39Å; R328-T513 PolarHBondContact N-OG1 3.25Å; R328-T513 PolarHBondContact O-N 3.49Å; R328-T513 PolarHBondContact O-OG1 3.28Å; T513-G528 CarbonylContact C-O 2.99Å; T513-G528 CarbonylContact O-C 3.53Å; T513-G528 WeakPolarHBondContact O-CA 3.45Å; T513-G528 PolarHBondContact O-N 3.2Å
514	D	94.8	Very high	90.6	Very high	12 Å²	12	27.2 Å²	27.2	6%	0.064	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	142.5	-176	-57.7	-111.9	0	0	0	108.3	R327 R328 Y329 G330 Y526	R327-D514 VanDerWaalsContact CD-OD2 3.23Å; R327-D514 WeakPolarHBondContact CD-OD2 3.43Å; R327-D514 IonicContact CZ-OD1 2.7Å; R327-D514 IonicContact NH1-OD1 2.68Å; R327-D514 PolarHBondContact NH1-OD1 3.45Å; R327-D514 IonicContact NH1-OD2 3.19Å; R328-D514 PolarHBondContact O-N 3.17Å; Y329-D514 WeakPolarHBondContact CA-O 3.48Å; Y329-D514 HydrophobicContact CD1-CB 3.65Å; Y329-D514 HydrophobicContact CE1-CB 3.68Å; G330-D514 PolarHBondContact N-O 3.04Å; D514-Y526 CarbonylContact C-O 3.57Å; D514-Y526 WeakPolarHBondContact CA-O 3.47Å
515	I	95.3	Very high	90.9	Very high	1 Å²	1	30.2 Å²	30.2	1%	0.005	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	130.6	178.5	-59.7	-62.5	0	0	0	109.6	G330 V332 C512 Y526 Y530 F533	G330-I515 WeakPolarHBondContact O-CA 3.47Å; V332-I515 HydrophobicContact CG1-CG2 4.46Å; V332-I515 HydrophobicContact CG2-CG2 3.49Å; V332-I515 VanDerWaalsContact CG2-CG2 3.49Å; C512-I515 HydrophobicContact CB-CD1 3.94Å; I515-Y526 PolarHBondContact N-O 3.03Å; I515-Y526 PolarHBondContact O-N 3.46Å; I515-Y530 HydrophobicContact CD1-CD2 4.39Å; I515-F533 HydrophobicContact CB-CB 4.04Å; I515-F533 HydrophobicContact CB-CG 4.17Å; I515-F533 HydrophobicContact CG1-CB 4.02Å; I515-F533 HydrophobicContact CG2-CB 4.13Å; I515-F533 HydrophobicContact CG2-CD1 3.89Å; I515-F533 HydrophobicContact CG2-CD2 4.06Å; I515-F533 HydrophobicContact CG2-CE1 4.37Å; I515-F533 HydrophobicContact CG2-CG 3.72Å
516	I	95	Very high	91.3	Very high	3 Å²	3	31.7 Å²	31.7	2%	0.015	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	109.7	172.7	-42.7	-179.6	0	0	0	107.5	Y329 G330 L331 V332 L499 L523 H524 Y525	Y329-I516 HydrophobicContact CD1-CD1 3.74Å; Y329-I516 HydrophobicContact CD1-CG1 3.74Å; Y329-I516 HydrophobicContact CG-CD1 4.03Å; Y329-I516 HydrophobicContact CG-CG1 4.37Å; G330-I516 PolarHBondContact O-N 2.94Å; L331-I516 WeakPolarHBondContact CA-O 3.4Å; L331-I516 HydrophobicContact CD1-CB 4.11Å; L331-I516 HydrophobicContact CD1-CG2 4.16Å; V332-I516 PolarHBondContact N-O 3.23Å; L499-I516 HydrophobicContact CD1-CD1 3.91Å; I516-L523 HydrophobicContact CG2-CB 3.86Å; I516-L523 HydrophobicContact CG2-CD1 4.44Å; I516-L523 HydrophobicContact CG2-CD2 3.79Å; I516-L523 HydrophobicContact CG2-CG 4.23Å; I516-H524 WeakPolarHBondContact CA-O 3.39Å; I516-Y525 HydrophobicContact CB-CE1 4.37Å; I516-Y525 HydrophobicContact CD1-CD1 4.46Å; I516-Y525 HydrophobicContact CD1-CE1 3.59Å; I516-Y525 HydrophobicContact CG1-CD1 3.99Å; I516-Y525 HydrophobicContact CG1-CE1 3.59Å; I516-Y525 HydrophobicContact CG2-CD1 4.46Å; I516-Y525 HydrophobicContact CG2-CE1 3.99Å; I516-Y525 HydrophobicContact CG2-CE2 4.35Å
517	H	93.1	Very high	91.5	Very high	15 Å²	15	40.5 Å²	40.5	7%	0.069	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	123.7	175.5	-173.3	-140.5	0	0	0	110.6	V332 D519 H524 Y526 F533 Y537	V332-H517 HydrophobicContact CG2-CB 4.34Å; V332-H517 WeakPolarHBondContact O-CA 3.32Å; V332-H517 PolarHBondContact O-CD2 3.36Å; H517-D519 IonicContact CE1-OD2 3.64Å; H517-D519 PolarHBondContact O-N 3.43Å; H517-H524 HydrophobicContact CB-CB 4.44Å; H517-H524 PolarHBondContact N-O 3.09Å; H517-H524 PolarHBondContact O-N 2.97Å; H517-Y526 HydrophobicContact CB-CD2 4.37Å; H517-Y526 HydrophobicContact CB-CE2 3.89Å; H517-F533 HydrophobicContact CB-CE2 3.67Å; H517-F533 HydrophobicContact CB-CZ 3.85Å; H517-F533 AromaticContact CD2-CZ 3.84Å; H517-F533 AromaticContact CG-CE2 3.85Å; H517-F533 AromaticContact CG-CZ 3.64Å; H517-Y537 AromaticContact CE1-CE2 3.47Å; H517-Y537 VanDerWaalsContact CE1-CE2 3.47Å; H517-Y537 WeakPolarHBondContact CE1-CE2 3.37Å; H517-Y537 AromaticContact CE1-CZ 3.56Å; H517-Y537 AromaticContact ND1-CE2 3.72Å
518	L	90.4	Very high	91.6	Very high	4 Å²	4	41.5 Å²	41.5	2%	0.021	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	99.6	173.4	175.2	51.2	0	0	0	110.4	F316 L331 V332 K337 K339 L523	F316-L518 HydrophobicContact CD1-CD1 4.14Å; F316-L518 HydrophobicContact CE1-CD1 3.5Å; F316-L518 HydrophobicContact CE1-CD2 4.12Å; F316-L518 HydrophobicContact CE1-CG 4.44Å; F316-L518 HydrophobicContact CZ-CD1 3.99Å; F316-L518 HydrophobicContact CZ-CD2 3.76Å; L331-L518 HydrophobicContact CD1-CB 4.32Å; V332-L518 PolarHBondContact O-N 3.44Å; K337-L518 HydrophobicContact CB-CD2 3.82Å; K337-L518 HydrophobicContact CB-CG 4.15Å; K339-L518 HydrophobicContact CG-CD2 4.27Å; L518-L523 HydrophobicContact CB-CD2 4.28Å; L518-L523 HydrophobicContact CD1-CD2 4.19Å
519	D	86.4	Confident	91.5	Very high	50 Å²	50	43.5 Å²	43.5	27%	0.267	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	149.2	-178.3	-169.2	9.3	0	0	0	110.8	H517 Q521 R522	H517-D519 IonicContact CE1-OD2 3.64Å; H517-D519 PolarHBondContact O-N 3.43Å; D519-Q521 PolarHBondContact O-N 3.11Å; D519-Q521 VanDerWaalsContact O-N 3.09Å; D519-R522 PolarHBondContact N-O 2.87Å; D519-R522 VanDerWaalsContact N-O 3.09Å; D519-R522 PolarHBondContact O-N 2.9Å
520	T	85.1	Confident	91.5	Very high	95 Å²	95	43 Å²	43	58%	0.583	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	48.7	36.6	-178.8	59.4	0	0	0	0	115	R522	T520-R522 PolarHBondContact O-N 3.45Å
521	Q	88	Confident	91.5	Very high	84 Å²	84	44.9 Å²	44.9	39%	0.393	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.1	24	-177.1	-57.2	158.2	-74.2	0	0	113.9	E314 L315 F316 V317 D519	E314-Q521 PolarHBondContact O-NE2 2.82Å; L315-Q521 WeakPolarHBondContact O-CA 3.34Å; L315-Q521 WeakPolarHBondContact O-CB 3.44Å; F316-Q521 WeakPolarHBondContact CA-O 3.35Å; V317-Q521 HydrophobicContact CB-CB 4.43Å; V317-Q521 HydrophobicContact CG2-CB 4.3Å; V317-Q521 PolarHBondContact N-O 3.32Å; D519-Q521 PolarHBondContact O-N 3.11Å; D519-Q521 VanDerWaalsContact O-N 3.09Å
522	R	90	Very high	91.4	Very high	91 Å²	91	47.8 Å²	47.8	34%	0.343	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	163.7	177	-65.1	-172.1	-176.2	164.1	8.9	111.2	V317 N318 D519 T520 E594	V317-R522 WeakPolarHBondContact O-CG 3.45Å; V317-R522 PolarHBondContact O-NE 3.45Å; N318-R522 PolarHBondContact O-NE 3Å; D519-R522 PolarHBondContact N-O 2.87Å; D519-R522 VanDerWaalsContact N-O 3.09Å; D519-R522 PolarHBondContact O-N 2.9Å; T520-R522 PolarHBondContact O-N 3.45Å; R522-E594 IonicContact NH2-OE2 2.74Å
523	L	92.6	Very high	91.4	Very high	12 Å²	12	48 Å²	48	6%	0.063	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	132.4	175.3	-63	175.8	0	0	0	109.6	F306 F316 L321 L331 L342 I516 L518 Y525	F306-L523 HydrophobicContact CE1-CD1 4.44Å; F306-L523 HydrophobicContact CZ-CD1 4.17Å; F316-L523 HydrophobicContact CE1-CD2 3.9Å; F316-L523 HydrophobicContact CE1-CG 4.17Å; L321-L523 HydrophobicContact CD1-CD1 3.9Å; L331-L523 HydrophobicContact CD1-CD2 4.03Å; L342-L523 HydrophobicContact CD2-CD1 3.99Å; L342-L523 HydrophobicContact CD2-CD2 4.26Å; I516-L523 HydrophobicContact CG2-CB 3.86Å; I516-L523 HydrophobicContact CG2-CD1 4.44Å; I516-L523 HydrophobicContact CG2-CD2 3.79Å; I516-L523 HydrophobicContact CG2-CG 4.23Å; L518-L523 HydrophobicContact CB-CD2 4.28Å; L518-L523 HydrophobicContact CD1-CD2 4.19Å; L523-Y525 HydrophobicContact CB-CE2 4Å
524	H	92.2	Very high	91.2	Very high	55 Å²	55	47.2 Å²	47.2	26%	0.255	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	123.5	177.7	-69.9	-33.1	0	0	0	110.6	I516 H517 Y526	I516-H524 WeakPolarHBondContact CA-O 3.39Å; H517-H524 HydrophobicContact CB-CB 4.44Å; H517-H524 PolarHBondContact N-O 3.09Å; H517-H524 PolarHBondContact O-N 2.97Å; H524-Y526 HydrophobicContact CB-CE2 3.66Å; H524-Y526 WeakPolarHBondContact O-CD2 3.25Å; H524-Y526 WeakPolarHBondContact O-CE2 3.18Å
525	Y	93.4	Very high	91	Very high	69 Å²	69	53.8 Å²	53.8	27%	0.271	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	129.5	-173.5	-70.7	-90.3	0	0	0	111.8	Y322 Y329 I516 L523	Y322-Y525 AromaticContact CD2-CD2 3.9Å; Y322-Y525 HydrophobicContact CD2-CD2 3.9Å; Y322-Y525 AromaticContact CD2-CE2 3.7Å; Y322-Y525 HydrophobicContact CD2-CE2 3.7Å; Y322-Y525 HydrophobicContact CG-CE2 4.4Å; Y322-Y525 PolarHBondContact N-OH 2.98Å; Y322-Y525 WeakPolarHBondContact O-CE1 3.4Å; Y322-Y525 PolarHBondContact O-OH 3.2Å; Y329-Y525 HydrophobicContact CE1-CD1 4.33Å; Y329-Y525 HydrophobicContact CE1-CE1 4.25Å; I516-Y525 HydrophobicContact CB-CE1 4.37Å; I516-Y525 HydrophobicContact CD1-CD1 4.46Å; I516-Y525 HydrophobicContact CD1-CE1 3.59Å; I516-Y525 HydrophobicContact CG1-CD1 3.99Å; I516-Y525 HydrophobicContact CG1-CE1 3.59Å; I516-Y525 HydrophobicContact CG2-CD1 4.46Å; I516-Y525 HydrophobicContact CG2-CE1 3.99Å; I516-Y525 HydrophobicContact CG2-CE2 4.35Å; L523-Y525 HydrophobicContact CB-CE2 4Å
526	Y	93.7	Very high	90.7	Very high	37 Å²	37	58.6 Å²	58.6	15%	0.145	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	135	174.8	-56.8	-93.8	0	0	0	108.5	D514 I515 H517 H524 F533 K540	D514-Y526 CarbonylContact C-O 3.57Å; D514-Y526 WeakPolarHBondContact CA-O 3.47Å; I515-Y526 PolarHBondContact N-O 3.03Å; I515-Y526 PolarHBondContact O-N 3.46Å; H517-Y526 HydrophobicContact CB-CD2 4.37Å; H517-Y526 HydrophobicContact CB-CE2 3.89Å; H524-Y526 HydrophobicContact CB-CE2 3.66Å; H524-Y526 WeakPolarHBondContact O-CD2 3.25Å; H524-Y526 WeakPolarHBondContact O-CE2 3.18Å; Y526-F533 HydrophobicContact CD1-CD2 4.24Å; Y526-F533 AromaticContact CD2-CD2 3.5Å; Y526-F533 HydrophobicContact CD2-CD2 3.5Å; Y526-F533 AromaticContact CD2-CE2 3.79Å; Y526-F533 HydrophobicContact CD2-CE2 3.79Å; Y526-F533 AromaticContact CE2-CD2 3.88Å; Y526-F533 HydrophobicContact CE2-CD2 3.88Å; Y526-F533 AromaticContact CE2-CE2 3.71Å; Y526-F533 HydrophobicContact CE2-CE2 3.71Å; Y526-F533 AromaticContact CG-CD2 3.71Å; Y526-F533 HydrophobicContact CG-CD2 3.71Å; Y526-F533 HydrophobicContact CG-CE2 4.39Å; Y526-K540 PolarHBondContact OH-NZ 3.07Å; Y526-K540 VanDerWaalsContact OH-NZ 3.08Å
527	R	91.8	Very high	90.4	Very high	207 Å²	207	61.3 Å²	61.3	78%	0.781	29%	0.287	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.1	135.8	177.9	-173.9	-178.8	179.1	-169.9	-2.3	109.4
528	G	90.8	Very high	90.1	Very high	23 Å²	23	65.2 Å²	65.2	24%	0.237	31%	0.305	C	S	.	.	S	Bend	trans	114.4	-179.1	-174.7	0	0	0	0	0	112.7	T513	T513-G528 CarbonylContact C-O 2.99Å; T513-G528 CarbonylContact O-C 3.53Å; T513-G528 WeakPolarHBondContact O-CA 3.45Å; T513-G528 PolarHBondContact O-N 3.2Å
529	N	90.1	Very high	90.1	Very high	42 Å²	42	69.9 Å²	69.9	23%	0.225	33%	0.327	C	S	.	.			trans	-73.5	173.7	179.5	67.6	-12.1	0	0	0	112.9	D509 M531 T532 F533	D509-N529 VanDerWaalsContact CG-ND2 3.28Å; D509-N529 VanDerWaalsContact OD1-CB 3.23Å; D509-N529 WeakPolarHBondContact OD1-CB 3.38Å; D509-N529 PolarHBondContact OD1-ND2 3.05Å; D509-N529 VanDerWaalsContact OD1-ND2 3.11Å; D509-N529 PolarHBondContact OD2-ND2 3.09Å; N529-M531 VanDerWaalsContact C-N 3.34Å; N529-M531 PolarHBondContact O-N 2.86Å; N529-T532 PolarHBondContact O-N 3.09Å; N529-T532 WeakPolarHBondContact OD1-CB 3.27Å; N529-T532 PolarHBondContact OD1-N 2.93Å; N529-T532 PolarHBondContact OD1-OG1 2.96Å; N529-F533 PolarHBondContact O-N 3.1Å; N529-F533 VanDerWaalsContact O-N 3.07Å
530	Y	90.4	Very high	90.1	Very high	16 Å²	16	71.4 Å²	71.4	6%	0.063	33%	0.331	C	S	.	.	H	α-helix	trans	-61.9	-39.1	-178.2	-173.3	-91.5	0	0	0	112.7	V332 Q505 L508 D509 I515 T532 F533 K534 I772	V332-Y530 HydrophobicContact CB-CE2 4.43Å; V332-Y530 HydrophobicContact CG1-CD2 4.22Å; V332-Y530 HydrophobicContact CG1-CE2 4.02Å; V332-Y530 HydrophobicContact CG2-CE2 4.32Å; Q505-Y530 HydrophobicContact CB-CD1 4.17Å; Q505-Y530 HydrophobicContact CB-CE1 4.36Å; Q505-Y530 HydrophobicContact CG-CD1 4.06Å; Q505-Y530 HydrophobicContact CG-CE1 3.75Å; L508-Y530 HydrophobicContact CB-CD2 4.39Å; L508-Y530 HydrophobicContact CB-CG 4.35Å; L508-Y530 HydrophobicContact CD1-CD2 3.99Å; L508-Y530 HydrophobicContact CD1-CE2 4.44Å; D509-Y530 PolarHBondContact OD1-N 3.11Å; I515-Y530 HydrophobicContact CD1-CD2 4.39Å; Y530-T532 PolarHBondContact O-N 3.34Å; Y530-F533 AromaticContact CD2-CD1 3.83Å; Y530-F533 HydrophobicContact CD2-CD1 3.83Å; Y530-F533 HydrophobicContact CD2-CE1 4.39Å; Y530-F533 AromaticContact CE2-CD1 3.52Å; Y530-F533 HydrophobicContact CE2-CD1 3.52Å; Y530-F533 AromaticContact CE2-CE1 3.65Å; Y530-F533 HydrophobicContact CE2-CE1 3.65Å; Y530-F533 AromaticContact CZ-CD1 3.99Å; Y530-F533 WeakPolarHBondContact O-CB 3.4Å; Y530-F533 PolarHBondContact O-N 3.29Å; Y530-K534 HydrophobicContact CE1-CB 4.16Å; Y530-K534 HydrophobicContact CE1-CD 4.08Å; Y530-K534 HydrophobicContact CE1-CG 4.43Å; Y530-K534 WeakPolarHBondContact O-CB 3.46Å; Y530-K534 PolarHBondContact O-N 2.95Å; Y530-I772 HydrophobicContact CE1-CG2 4.4Å; Y530-I772 HydrophobicContact CE2-CD1 3.7Å; Y530-I772 WeakPolarHBondContact OH-CD1 3.24Å; Y530-I772 WeakPolarHBondContact OH-CG2 3.29Å
531	M	89.2	Confident	90.1	Very high	75 Å²	75	69.3 Å²	69.3	37%	0.369	32%	0.315	S	S	.	.	H	α-helix	trans	-60.7	-40.8	175.8	-77.1	-69.1	-176	0	0	112.6	D509 N529 K534 K535	D509-M531 WeakPolarHBondContact OD1-CB 3.41Å; D509-M531 WeakPolarHBondContact OD1-CG 3.34Å; D509-M531 PolarHBondContact OD1-N 3.02Å; N529-M531 VanDerWaalsContact C-N 3.34Å; N529-M531 PolarHBondContact O-N 2.86Å; M531-K534 PolarHBondContact O-N 3.06Å; M531-K535 WeakPolarHBondContact O-CG 3.48Å; M531-K535 PolarHBondContact O-N 2.95Å; M531-K535 VanDerWaalsContact O-N 3.11Å
532	T	91.4	Very high	90	Very high	62 Å²	62	71.8 Å²	71.8	38%	0.38	32%	0.324	S	S	.	.	H	α-helix	trans	-65.9	-43.6	174.5	-62.1	0	0	0	0	110.9	N529 Y530 K535 M536	N529-T532 PolarHBondContact O-N 3.09Å; N529-T532 WeakPolarHBondContact OD1-CB 3.27Å; N529-T532 PolarHBondContact OD1-N 2.93Å; N529-T532 PolarHBondContact OD1-OG1 2.96Å; Y530-T532 PolarHBondContact O-N 3.34Å; T532-K535 PolarHBondContact O-N 2.79Å; T532-M536 HydrophobicContact CG2-CG 4.4Å; T532-M536 WeakPolarHBondContact O-CB 3.39Å; T532-M536 VanDerWaalsContact O-CG 3.28Å; T532-M536 WeakPolarHBondContact O-CG 3.39Å; T532-M536 PolarHBondContact O-N 3.17Å
533	F	92.6	Very high	89.9	Confident	6 Å²	6	71.8 Å²	71.8	3%	0.026	33%	0.328	C	S	.	.	H	α-helix	trans	-57.8	-48.8	172.8	159	-104.4	0	0	0	112.1	V332 I515 H517 Y526 N529 Y530 K535 M536 Y537	V332-F533 HydrophobicContact CG2-CD1 4.5Å; V332-F533 HydrophobicContact CG2-CE1 3.91Å; V332-F533 HydrophobicContact CG2-CZ 4.14Å; I515-F533 HydrophobicContact CB-CB 4.04Å; I515-F533 HydrophobicContact CB-CG 4.17Å; I515-F533 HydrophobicContact CG1-CB 4.02Å; I515-F533 HydrophobicContact CG2-CB 4.13Å; I515-F533 HydrophobicContact CG2-CD1 3.89Å; I515-F533 HydrophobicContact CG2-CD2 4.06Å; I515-F533 HydrophobicContact CG2-CE1 4.37Å; I515-F533 HydrophobicContact CG2-CG 3.72Å; H517-F533 HydrophobicContact CB-CE2 3.67Å; H517-F533 HydrophobicContact CB-CZ 3.85Å; H517-F533 AromaticContact CD2-CZ 3.84Å; H517-F533 AromaticContact CG-CE2 3.85Å; H517-F533 AromaticContact CG-CZ 3.64Å; Y526-F533 HydrophobicContact CD1-CD2 4.24Å; Y526-F533 AromaticContact CD2-CD2 3.5Å; Y526-F533 HydrophobicContact CD2-CD2 3.5Å; Y526-F533 AromaticContact CD2-CE2 3.79Å; Y526-F533 HydrophobicContact CD2-CE2 3.79Å; Y526-F533 AromaticContact CE2-CD2 3.88Å; Y526-F533 HydrophobicContact CE2-CD2 3.88Å; Y526-F533 AromaticContact CE2-CE2 3.71Å; Y526-F533 HydrophobicContact CE2-CE2 3.71Å; Y526-F533 AromaticContact CG-CD2 3.71Å; Y526-F533 HydrophobicContact CG-CD2 3.71Å; Y526-F533 HydrophobicContact CG-CE2 4.39Å; N529-F533 PolarHBondContact O-N 3.1Å; N529-F533 VanDerWaalsContact O-N 3.07Å; Y530-F533 AromaticContact CD2-CD1 3.83Å; Y530-F533 HydrophobicContact CD2-CD1 3.83Å; Y530-F533 HydrophobicContact CD2-CE1 4.39Å; Y530-F533 AromaticContact CE2-CD1 3.52Å; Y530-F533 HydrophobicContact CE2-CD1 3.52Å; Y530-F533 AromaticContact CE2-CE1 3.65Å; Y530-F533 HydrophobicContact CE2-CE1 3.65Å; Y530-F533 AromaticContact CZ-CD1 3.99Å; Y530-F533 WeakPolarHBondContact O-CB 3.4Å; Y530-F533 PolarHBondContact O-N 3.29Å; F533-K535 PolarHBondContact O-N 3.12Å; F533-M536 PolarHBondContact O-N 3.32Å; F533-Y537 HydrophobicContact CE2-CD2 4.42Å; F533-Y537 HydrophobicContact CE2-CG 4.21Å; F533-Y537 HydrophobicContact CZ-CG 4.19Å; F533-Y537 VanDerWaalsContact O-CB 3.26Å; F533-Y537 WeakPolarHBondContact O-CB 3.3Å; F533-Y537 PolarHBondContact O-N 3.03Å
534	K	89.1	Confident	89.6	Confident	33 Å²	33	73.8 Å²	73.8	14%	0.143	34%	0.339	C	S	.	.	H	α-helix	trans	-57.3	-47	-179.2	-166.7	176.7	-166.6	166.7	0	111.1	Y530 M531 Y537 Q538 D776	Y530-K534 HydrophobicContact CE1-CB 4.16Å; Y530-K534 HydrophobicContact CE1-CD 4.08Å; Y530-K534 HydrophobicContact CE1-CG 4.43Å; Y530-K534 WeakPolarHBondContact O-CB 3.46Å; Y530-K534 PolarHBondContact O-N 2.95Å; M531-K534 PolarHBondContact O-N 3.06Å; K534-Y537 PolarHBondContact O-N 2.81Å; K534-Q538 WeakPolarHBondContact O-CB 3.3Å; K534-Q538 VanDerWaalsContact O-CG 3.3Å; K534-Q538 WeakPolarHBondContact O-CG 3.36Å; K534-Q538 PolarHBondContact O-N 3.29Å; K534-D776 WeakPolarHBondContact CE-OD2 3.46Å; K534-D776 IonicContact NZ-OD1 2.89Å; K534-D776 PolarHBondContact NZ-OD1 2.95Å; K534-D776 IonicContact NZ-OD2 3.12Å; K534-D776 PolarHBondContact NZ-OD2 3.36Å
535	K	90.5	Very high	89.3	Confident	150 Å²	150	73.8 Å²	73.8	65%	0.652	34%	0.342	S	S	*	.	H	α-helix	trans	-60.7	-50.7	175.7	-70.8	172.2	-178.3	177.3	0	112.1	M531 T532 F533 Y537 Q538 Q539	M531-K535 WeakPolarHBondContact O-CG 3.48Å; M531-K535 PolarHBondContact O-N 2.95Å; M531-K535 VanDerWaalsContact O-N 3.11Å; T532-K535 PolarHBondContact O-N 2.79Å; F533-K535 PolarHBondContact O-N 3.12Å; K535-Y537 VanDerWaalsContact C-N 3.35Å; K535-Y537 PolarHBondContact O-N 3.43Å; K535-Q538 PolarHBondContact O-N 2.8Å; K535-Q539 PolarHBondContact O-N 2.84Å
536	M	89.4	Confident	89	Confident	101 Å²	101	76.4 Å²	76.4	50%	0.498	36%	0.355	S	S	.	.	H	α-helix	trans	-63.4	-38.3	179.7	-71	-64.8	-69.3	0	0	112.7	T532 F533 K540	T532-M536 HydrophobicContact CG2-CG 4.4Å; T532-M536 WeakPolarHBondContact O-CB 3.39Å; T532-M536 VanDerWaalsContact O-CG 3.28Å; T532-M536 WeakPolarHBondContact O-CG 3.39Å; T532-M536 PolarHBondContact O-N 3.17Å; F533-M536 PolarHBondContact O-N 3.32Å; M536-K540 WeakPolarHBondContact O-CB 3.39Å; M536-K540 PolarHBondContact O-N 3.3Å
537	Y	88.9	Confident	88.6	Confident	61 Å²	61	79.5 Å²	79.5	24%	0.239	37%	0.371	C	S	.	.	H	α-helix	trans	-69.8	-43.9	177.7	-179.4	-111.3	0	0	0	111.8	H517 F533 K534 K535 Q539 K540 Q541	H517-Y537 AromaticContact CE1-CE2 3.47Å; H517-Y537 VanDerWaalsContact CE1-CE2 3.47Å; H517-Y537 WeakPolarHBondContact CE1-CE2 3.37Å; H517-Y537 AromaticContact CE1-CZ 3.56Å; H517-Y537 AromaticContact ND1-CE2 3.72Å; F533-Y537 HydrophobicContact CE2-CD2 4.42Å; F533-Y537 HydrophobicContact CE2-CG 4.21Å; F533-Y537 HydrophobicContact CZ-CG 4.19Å; F533-Y537 VanDerWaalsContact O-CB 3.26Å; F533-Y537 WeakPolarHBondContact O-CB 3.3Å; F533-Y537 PolarHBondContact O-N 3.03Å; K534-Y537 PolarHBondContact O-N 2.81Å; K535-Y537 VanDerWaalsContact C-N 3.35Å; K535-Y537 PolarHBondContact O-N 3.43Å; Y537-Q539 VanDerWaalsContact C-N 3.35Å; Y537-Q539 PolarHBondContact O-N 3.41Å; Y537-K540 PolarHBondContact O-N 3.43Å; Y537-Q541 HydrophobicContact CE1-CG 4.16Å; Y537-Q541 HydrophobicContact CE2-CG 4.14Å; Y537-Q541 WeakPolarHBondContact O-CG 3.25Å; Y537-Q541 PolarHBondContact O-N 3.14Å; Y537-Q541 PolarHBondContact OH-NE2 3Å
538	Q	86.8	Confident	88.3	Confident	96 Å²	96	72.3 Å²	72.3	45%	0.449	34%	0.344	S	S	.	.	H	α-helix	trans	-61.3	-40.5	173.4	-74.9	-179.7	-0.9	0	0	112.4	K534 K535 Q541 K542	K534-Q538 WeakPolarHBondContact O-CB 3.3Å; K534-Q538 VanDerWaalsContact O-CG 3.3Å; K534-Q538 WeakPolarHBondContact O-CG 3.36Å; K534-Q538 PolarHBondContact O-N 3.29Å; K535-Q538 PolarHBondContact O-N 2.8Å; Q538-Q541 PolarHBondContact O-N 3.02Å; Q538-K542 WeakPolarHBondContact O-CB 3.4Å; Q538-K542 WeakPolarHBondContact O-CG 3.49Å; Q538-K542 PolarHBondContact O-N 3.48Å
539	Q	89	Confident	88.1	Confident	102 Å²	102	76.2 Å²	76.2	48%	0.477	36%	0.356	S	S	.	.	H	α-helix	trans	-60.8	-50.8	172.7	178.3	179.1	-19.7	0	0	110.9	K535 Y537 Q541 K542 E543	K535-Q539 PolarHBondContact O-N 2.84Å; Y537-Q539 VanDerWaalsContact C-N 3.35Å; Y537-Q539 PolarHBondContact O-N 3.41Å; Q539-Q541 VanDerWaalsContact C-N 3.28Å; Q539-Q541 PolarHBondContact O-N 2.81Å; Q539-K542 PolarHBondContact O-N 3.03Å; Q539-K542 VanDerWaalsContact O-N 3.11Å; Q539-E543 HydrophobicContact CG-CG 4.5Å; Q539-E543 WeakPolarHBondContact CG-OE1 3.25Å; Q539-E543 PolarHBondContact NE2-OE1 2.91Å; Q539-E543 WeakPolarHBondContact O-CG 3.28Å; Q539-E543 PolarHBondContact O-N 3.48Å
540	K	87.6	Confident	88	Confident	83 Å²	83	81.6 Å²	81.6	36%	0.361	38%	0.377	S	S	.	.	H	α-helix	trans	-57	-39.2	178.4	-173.4	-179.4	178.9	-174.3	0	112.2	Y526 M536 Y537 E543 L544	Y526-K540 PolarHBondContact OH-NZ 3.07Å; Y526-K540 VanDerWaalsContact OH-NZ 3.08Å; M536-K540 WeakPolarHBondContact O-CB 3.39Å; M536-K540 PolarHBondContact O-N 3.3Å; Y537-K540 PolarHBondContact O-N 3.43Å; K540-E543 PolarHBondContact O-N 3.21Å; K540-L544 HydrophobicContact CG-CD1 4.32Å; K540-L544 WeakPolarHBondContact O-CB 3.37Å; K540-L544 VanDerWaalsContact O-CG 3.27Å; K540-L544 WeakPolarHBondContact O-CG 3.37Å; K540-L544 PolarHBondContact O-N 3.38Å
541	Q	84.3	Confident	87.6	Confident	51 Å²	51	82.1 Å²	82.1	24%	0.238	38%	0.38	C	S	.	.	H	α-helix	trans	-68.5	-44.5	174.4	-70.5	-66	4	0	0	112.3	Y537 Q538 Q539 E543 L544 V545	Y537-Q541 HydrophobicContact CE1-CG 4.16Å; Y537-Q541 HydrophobicContact CE2-CG 4.14Å; Y537-Q541 WeakPolarHBondContact O-CG 3.25Å; Y537-Q541 PolarHBondContact O-N 3.14Å; Y537-Q541 PolarHBondContact OH-NE2 3Å; Q538-Q541 PolarHBondContact O-N 3.02Å; Q539-Q541 VanDerWaalsContact C-N 3.28Å; Q539-Q541 PolarHBondContact O-N 2.81Å; Q541-E543 VanDerWaalsContact C-N 3.25Å; Q541-E543 PolarHBondContact O-N 2.98Å; Q541-L544 PolarHBondContact O-N 3.1Å; Q541-L544 VanDerWaalsContact O-N 3.15Å; Q541-V545 WeakPolarHBondContact O-CG2 3.37Å; Q541-V545 PolarHBondContact O-N 2.94Å
542	K	86.5	Confident	87.4	Confident	136 Å²	136	82 Å²	82	59%	0.591	38%	0.379	S	S	*	.	H	α-helix	trans	-59.3	-35.7	173.8	-73.4	171.6	179.6	177.1	0	112	Q538 Q539 K546	Q538-K542 WeakPolarHBondContact O-CB 3.4Å; Q538-K542 WeakPolarHBondContact O-CG 3.49Å; Q538-K542 PolarHBondContact O-N 3.48Å; Q539-K542 PolarHBondContact O-N 3.03Å; Q539-K542 VanDerWaalsContact O-N 3.11Å; K542-K546 WeakPolarHBondContact O-CB 2.87Å; K542-K546 VanDerWaalsContact O-CG 3.28Å; K542-K546 WeakPolarHBondContact O-CG 3.47Å; K542-K546 PolarHBondContact O-N 2.72Å; K542-K546 VanDerWaalsContact O-N 3.14Å
543	E	88.2	Confident	87.2	Confident	90 Å²	90	85.4 Å²	85.4	42%	0.421	39%	0.388	S	S	.	.	H	α-helix	trans	-70.4	-42.7	173.2	-72.9	178	-157.9	0	0	112.7	Q539 K540 Q541 K546 Q547	Q539-E543 HydrophobicContact CG-CG 4.5Å; Q539-E543 WeakPolarHBondContact CG-OE1 3.25Å; Q539-E543 PolarHBondContact NE2-OE1 2.91Å; Q539-E543 WeakPolarHBondContact O-CG 3.28Å; Q539-E543 PolarHBondContact O-N 3.48Å; K540-E543 PolarHBondContact O-N 3.21Å; Q541-E543 VanDerWaalsContact C-N 3.25Å; Q541-E543 PolarHBondContact O-N 2.98Å; E543-K546 PolarHBondContact O-N 3.2Å; E543-Q547 WeakPolarHBondContact O-CB 3.46Å; E543-Q547 VanDerWaalsContact O-CG 3.28Å; E543-Q547 WeakPolarHBondContact O-CG 3.49Å; E543-Q547 PolarHBondContact O-N 2.92Å
544	L	85.6	Confident	86.8	Confident	55 Å²	55	90.6 Å²	90.6	29%	0.288	41%	0.411	S	S	.	.	H	α-helix	trans	-62.5	-41.9	176.1	-77.1	166.5	0	0	0	112.3	K540 Q541 Q547 Y548 L599	K540-L544 HydrophobicContact CG-CD1 4.32Å; K540-L544 WeakPolarHBondContact O-CB 3.37Å; K540-L544 VanDerWaalsContact O-CG 3.27Å; K540-L544 WeakPolarHBondContact O-CG 3.37Å; K540-L544 PolarHBondContact O-N 3.38Å; Q541-L544 PolarHBondContact O-N 3.1Å; Q541-L544 VanDerWaalsContact O-N 3.15Å; L544-Q547 PolarHBondContact O-N 3.2Å; L544-Y548 WeakPolarHBondContact O-CB 3.26Å; L544-Y548 PolarHBondContact O-N 3.45Å; L544-L599 HydrophobicContact CD2-CD2 4.43Å
545	V	86.1	Confident	86.4	Confident	54 Å²	54	90 Å²	90	33%	0.327	41%	0.409	S	S	.	.	H	α-helix	trans	-59.4	-53	172.6	171.9	0	0	0	0	110.2	Q541 Q547 Y548 E549 P602	Q541-V545 WeakPolarHBondContact O-CG2 3.37Å; Q541-V545 PolarHBondContact O-N 2.94Å; V545-Q547 PolarHBondContact O-N 2.95Å; V545-Y548 WeakPolarHBondContact O-CB 3.34Å; V545-Y548 PolarHBondContact O-N 3.26Å; V545-E549 HydrophobicContact CG1-CG 4.32Å; V545-E549 WeakPolarHBondContact O-CG 3.36Å; V545-E549 PolarHBondContact O-N 3.09Å; V545-P602 HydrophobicContact CG2-CB 4.34Å; V545-P602 HydrophobicContact CG2-CG 3.93Å
546	K	88.2	Confident	86.1	Confident	125 Å²	125	88.2 Å²	88.2	54%	0.543	40%	0.402	S	S	.	.	H	α-helix	trans	-60.5	-30.2	178.1	-73.1	174.8	-179.8	-176.4	0	113.2	K542 E543 K550	K542-K546 WeakPolarHBondContact O-CB 2.87Å; K542-K546 VanDerWaalsContact O-CG 3.28Å; K542-K546 WeakPolarHBondContact O-CG 3.47Å; K542-K546 PolarHBondContact O-N 2.72Å; K542-K546 VanDerWaalsContact O-N 3.14Å; E543-K546 PolarHBondContact O-N 3.2Å; K546-K550 WeakPolarHBondContact O-CB 3.25Å; K546-K550 VanDerWaalsContact O-CD 3.32Å; K546-K550 WeakPolarHBondContact O-CD 3.37Å; K546-K550 WeakPolarHBondContact O-CG 3.3Å; K546-K550 PolarHBondContact O-N 3.29Å
547	Q	85.2	Confident	85.9	Confident	102 Å²	102	88.3 Å²	88.3	48%	0.477	40%	0.401	S	S	.	.	H	α-helix	trans	-74.3	-42.3	173.1	-74	-180	49.5	0	0	112.1	E543 L544 V545 K550 Q551 L599	E543-Q547 WeakPolarHBondContact O-CB 3.46Å; E543-Q547 VanDerWaalsContact O-CG 3.28Å; E543-Q547 WeakPolarHBondContact O-CG 3.49Å; E543-Q547 PolarHBondContact O-N 2.92Å; L544-Q547 PolarHBondContact O-N 3.2Å; V545-Q547 PolarHBondContact O-N 2.95Å; Q547-K550 PolarHBondContact O-N 3.32Å; Q547-Q551 WeakPolarHBondContact O-CB 3.38Å; Q547-Q551 PolarHBondContact O-N 2.81Å; Q547-L599 HydrophobicContact CB-CD1 3.82Å
548	Y	84.9	Confident	85.5	Confident	56 Å²	56	87.2 Å²	87.2	22%	0.22	40%	0.399	C	S	.	.	H	α-helix	trans	-60.9	-47.6	175	176.2	-99.9	0	0	0	111.5	L544 V545 K550 Q551 E552 L599 R601	L544-Y548 WeakPolarHBondContact O-CB 3.26Å; L544-Y548 PolarHBondContact O-N 3.45Å; V545-Y548 WeakPolarHBondContact O-CB 3.34Å; V545-Y548 PolarHBondContact O-N 3.26Å; Y548-K550 PolarHBondContact O-N 2.89Å; Y548-Q551 CarbonylContact O-C 3.59Å; Y548-Q551 WeakPolarHBondContact O-CB 3.24Å; Y548-Q551 PolarHBondContact O-N 2.89Å; Y548-Q551 VanDerWaalsContact O-N 3.13Å; Y548-E552 WeakPolarHBondContact O-CB 3.35Å; Y548-E552 PolarHBondContact O-N 2.68Å; Y548-L599 HydrophobicContact CD2-CB 4.01Å; Y548-L599 VanDerWaalsContact CD2-O 3.29Å; Y548-L599 WeakPolarHBondContact CD2-O 3.45Å; Y548-L599 VanDerWaalsContact CE2-O 3.24Å; Y548-L599 WeakPolarHBondContact CE2-O 3.44Å; Y548-R601 HydrophobicContact CD1-CG 4.43Å; Y548-R601 HydrophobicContact CE1-CB 3.87Å; Y548-R601 HydrophobicContact CE1-CG 3.87Å; Y548-R601 HydrophobicContact CE2-CB 4.15Å
549	E	87.3	Confident	85.2	Confident	105 Å²	105	86.8 Å²	86.8	49%	0.491	40%	0.396	S	S	.	.	H	α-helix	trans	-58.7	-45.6	175.6	-69.7	169.5	160.2	0	0	112.2	V545 Q551 E552 K553	V545-E549 HydrophobicContact CG1-CG 4.32Å; V545-E549 WeakPolarHBondContact O-CG 3.36Å; V545-E549 PolarHBondContact O-N 3.09Å; E549-Q551 VanDerWaalsContact C-N 3.3Å; E549-Q551 PolarHBondContact O-N 3.19Å; E549-E552 PolarHBondContact O-N 2.87Å; E549-K553 VanDerWaalsContact O-CB 3.27Å; E549-K553 WeakPolarHBondContact O-CB 3.44Å; E549-K553 PolarHBondContact O-N 3.04Å
550	K	87.9	Confident	84.7	Confident	154 Å²	154	86.3 Å²	86.3	67%	0.67	41%	0.409	S	S	*	.	H	α-helix	trans	-62.9	-36.6	175.5	-75	170.1	-174.3	177.2	0	111.9	K546 Q547 Y548 K554	K546-K550 WeakPolarHBondContact O-CB 3.25Å; K546-K550 VanDerWaalsContact O-CD 3.32Å; K546-K550 WeakPolarHBondContact O-CD 3.37Å; K546-K550 WeakPolarHBondContact O-CG 3.3Å; K546-K550 PolarHBondContact O-N 3.29Å; Q547-K550 PolarHBondContact O-N 3.32Å; Y548-K550 PolarHBondContact O-N 2.89Å; K550-K554 WeakPolarHBondContact O-CB 3.34Å; K550-K554 PolarHBondContact O-N 3.01Å
551	Q	81.3	Confident	84.3	Confident	27 Å²	27	85.1 Å²	85.1	13%	0.126	42%	0.42	C	S	.	.	H	α-helix	trans	-69	-44.6	174.4	-174.8	167.4	27.9	0	0	111.5	Q547 Y548 E549 K554 L555 T572	Q547-Q551 WeakPolarHBondContact O-CB 3.38Å; Q547-Q551 PolarHBondContact O-N 2.81Å; Y548-Q551 CarbonylContact O-C 3.59Å; Y548-Q551 WeakPolarHBondContact O-CB 3.24Å; Y548-Q551 PolarHBondContact O-N 2.89Å; Y548-Q551 VanDerWaalsContact O-N 3.13Å; E549-Q551 VanDerWaalsContact C-N 3.3Å; E549-Q551 PolarHBondContact O-N 3.19Å; Q551-K554 PolarHBondContact O-N 3.08Å; Q551-L555 WeakPolarHBondContact O-CB 3.21Å; Q551-L555 PolarHBondContact O-N 2.83Å; Q551-T572 HydrophobicContact CG-CG2 4.48Å
552	E	84.6	Confident	83.7	Confident	73 Å²	73	86.1 Å²	86.1	34%	0.341	44%	0.444	S	S	.	.	H	α-helix	trans	-70.2	-42.1	-177.7	-157.5	-134.1	174.6	0	0	112	Y548 E549 K554 L555 K556	Y548-E552 WeakPolarHBondContact O-CB 3.35Å; Y548-E552 PolarHBondContact O-N 2.68Å; E549-E552 PolarHBondContact O-N 2.87Å; E552-K554 PolarHBondContact O-N 2.84Å; E552-L555 CarbonylContact O-C 3.58Å; E552-L555 PolarHBondContact O-N 2.95Å; E552-L555 VanDerWaalsContact O-N 3.14Å; E552-K556 WeakPolarHBondContact O-CG 3.37Å; E552-K556 PolarHBondContact O-N 2.84Å; E552-K556 WeakPolarHBondContact OE1-CE 3.32Å; E552-K556 IonicContact OE1-NZ 3.21Å; E552-K556 PolarHBondContact OE1-NZ 2.78Å; E552-K556 WeakPolarHBondContact OE2-CE 3.4Å; E552-K556 IonicContact OE2-NZ 3.24Å; E552-K556 PolarHBondContact OE2-NZ 3.05Å
553	K	87.3	Confident	83	Confident	133 Å²	133	83.1 Å²	83.1	58%	0.578	43%	0.431	S	S	*	.	H	α-helix	trans	-57	-47.5	171.1	179.9	174.5	176.8	174.7	0	111.1	E549 L555 K556 E557	E549-K553 VanDerWaalsContact O-CB 3.27Å; E549-K553 WeakPolarHBondContact O-CB 3.44Å; E549-K553 PolarHBondContact O-N 3.04Å; K553-L555 VanDerWaalsContact C-N 3.26Å; K553-L555 PolarHBondContact O-N 2.78Å; K553-K556 WeakPolarHBondContact O-CB 3.43Å; K553-K556 PolarHBondContact O-N 2.98Å; K553-E557 WeakPolarHBondContact CE-OE1 3.42Å; K553-E557 WeakPolarHBondContact CG-OE1 3.38Å; K553-E557 WeakPolarHBondContact O-CG 3.19Å; K553-E557 PolarHBondContact O-N 2.7Å
554	K	83.5	Confident	82.1	Confident	116 Å²	116	82.2 Å²	82.2	50%	0.504	44%	0.435	S	S	.	.	H	α-helix	trans	-63.5	-31.7	177	-161.4	-178.1	-164.2	74.9	0	112.9	K550 Q551 E552 L558	K550-K554 WeakPolarHBondContact O-CB 3.34Å; K550-K554 PolarHBondContact O-N 3.01Å; Q551-K554 PolarHBondContact O-N 3.08Å; E552-K554 PolarHBondContact O-N 2.84Å; K554-L558 WeakPolarHBondContact O-CB 3.45Å; K554-L558 VanDerWaalsContact O-CG 3.3Å; K554-L558 WeakPolarHBondContact O-CG 3.47Å; K554-L558 PolarHBondContact O-N 3.35Å
555	L	80.8	Confident	81.3	Confident	19 Å²	19	82.8 Å²	82.8	10%	0.099	44%	0.441	C	S	.	.	H	α-helix	trans	-75.9	-36	176.1	-150.5	162.3	0	0	0	111.2	Q551 E552 K553 L558 K559 A568 E569	Q551-L555 WeakPolarHBondContact O-CB 3.21Å; Q551-L555 PolarHBondContact O-N 2.83Å; E552-L555 CarbonylContact O-C 3.58Å; E552-L555 PolarHBondContact O-N 2.95Å; E552-L555 VanDerWaalsContact O-N 3.14Å; K553-L555 VanDerWaalsContact C-N 3.26Å; K553-L555 PolarHBondContact O-N 2.78Å; L555-L558 PolarHBondContact O-N 3.05Å; L555-K559 HydrophobicContact CD2-CD 3.84Å; L555-K559 HydrophobicContact CD2-CG 4.3Å; L555-K559 WeakPolarHBondContact O-CG 3.37Å; L555-K559 PolarHBondContact O-N 3.07Å; L555-A568 HydrophobicContact CD2-CB 4.26Å; L555-E569 HydrophobicContact CD1-CG 4.07Å
556	K	85.1	Confident	80.4	Confident	114 Å²	114	88.5 Å²	88.5	50%	0.496	46%	0.461	S	S	.	.	H	α-helix	trans	-62.3	-46.1	168.7	-74.4	164.4	169.5	164.1	0	111.4	E552 K553 L558 K559 A560	E552-K556 WeakPolarHBondContact O-CG 3.37Å; E552-K556 PolarHBondContact O-N 2.84Å; E552-K556 WeakPolarHBondContact OE1-CE 3.32Å; E552-K556 IonicContact OE1-NZ 3.21Å; E552-K556 PolarHBondContact OE1-NZ 2.78Å; E552-K556 WeakPolarHBondContact OE2-CE 3.4Å; E552-K556 IonicContact OE2-NZ 3.24Å; E552-K556 PolarHBondContact OE2-NZ 3.05Å; K553-K556 WeakPolarHBondContact O-CB 3.43Å; K553-K556 PolarHBondContact O-N 2.98Å; K556-L558 PolarHBondContact O-N 2.89Å; K556-K559 PolarHBondContact O-N 3.49Å; K556-A560 WeakPolarHBondContact O-CB 3.15Å; K556-A560 PolarHBondContact O-N 2.72Å
557	E	86.1	Confident	79.4	Confident	102 Å²	102	87.9 Å²	87.9	48%	0.477	46%	0.46	S	S	.	.	H	α-helix	trans	-58.7	-45.9	173.9	-71.9	164	-174.5	0	0	112	K553 K559 A560 G561	K553-E557 WeakPolarHBondContact CE-OE1 3.42Å; K553-E557 WeakPolarHBondContact CG-OE1 3.38Å; K553-E557 WeakPolarHBondContact O-CG 3.19Å; K553-E557 PolarHBondContact O-N 2.7Å; E557-K559 VanDerWaalsContact C-N 3.33Å; E557-K559 PolarHBondContact O-N 3.38Å; E557-A560 PolarHBondContact O-N 2.95Å; E557-G561 PolarHBondContact O-N 3.41Å
558	L	78.8	Confident	78.5	Confident	38 Å²	38	83 Å²	83	20%	0.199	44%	0.437	C	S	.	.	H	α-helix	trans	-64.4	-34.3	176.9	-77.1	166.2	0	0	0	113.1	K554 L555 K556 K563 A568	K554-L558 WeakPolarHBondContact O-CB 3.45Å; K554-L558 VanDerWaalsContact O-CG 3.3Å; K554-L558 WeakPolarHBondContact O-CG 3.47Å; K554-L558 PolarHBondContact O-N 3.35Å; L555-L558 PolarHBondContact O-N 3.05Å; K556-L558 PolarHBondContact O-N 2.89Å; L558-K563 HydrophobicContact CD2-CD 3.96Å; L558-K563 WeakPolarHBondContact O-CB 3.25Å; L558-K563 PolarHBondContact O-N 3.34Å; L558-A568 HydrophobicContact CB-CB 3.86Å
559	K	80.1	Confident	77.8	Confident	88 Å²	88	83.3 Å²	83.3	38%	0.383	44%	0.441	S	S	.	.	H	α-helix	trans	-69.6	-43.7	172.7	-76.9	167.9	172.2	169.3	0	111.8	L555 K556 E557 G561 G562 A568	L555-K559 HydrophobicContact CD2-CD 3.84Å; L555-K559 HydrophobicContact CD2-CG 4.3Å; L555-K559 WeakPolarHBondContact O-CG 3.37Å; L555-K559 PolarHBondContact O-N 3.07Å; K556-K559 PolarHBondContact O-N 3.49Å; E557-K559 VanDerWaalsContact C-N 3.33Å; E557-K559 PolarHBondContact O-N 3.38Å; K559-G561 VanDerWaalsContact C-N 3.26Å; K559-G561 PolarHBondContact O-N 2.66Å; K559-G562 PolarHBondContact O-N 3.35Å; K559-A568 HydrophobicContact CG-CB 4.49Å
560	A	80.3	Confident	77.1	Confident	91 Å²	91	84.7 Å²	84.7	75%	0.752	45%	0.445	S	S	*	.	H	α-helix	trans	-61.7	-35.2	175	0	0	0	0	0	111.9	K556 E557 G562	K556-A560 WeakPolarHBondContact O-CB 3.15Å; K556-A560 PolarHBondContact O-N 2.72Å; E557-A560 PolarHBondContact O-N 2.95Å; A560-G562 PolarHBondContact O-N 3.28Å
561	G	78.5	Confident	76.2	Confident	58 Å²	58	81 Å²	81	60%	0.598	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.3	23.3	168.3	0	0	0	0	0	115.6	E557 K559 K563	E557-G561 PolarHBondContact O-N 3.41Å; K559-G561 VanDerWaalsContact C-N 3.26Å; K559-G561 PolarHBondContact O-N 2.66Å; G561-K563 PolarHBondContact O-N 3.16Å
562	G	71.2	Confident	75.5	Confident	72 Å²	72	80.3 Å²	80.3	74%	0.742	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	77	5.6	170.5	0	0	0	0	0	116.7	K559 A560	K559-G562 PolarHBondContact O-N 3.35Å; A560-G562 PolarHBondContact O-N 3.28Å
563	K	71.8	Confident	74.7	Confident	74 Å²	74	80.8 Å²	80.8	32%	0.322	43%	0.429	S	S	.	.			trans	-87.1	135.4	-177.6	-59.5	174.6	-177.6	176.4	0	111.5	L558 G561	L558-K563 HydrophobicContact CD2-CD 3.96Å; L558-K563 WeakPolarHBondContact O-CB 3.25Å; L558-K563 PolarHBondContact O-N 3.34Å; G561-K563 PolarHBondContact O-N 3.16Å
564	S	70.1	Confident	73.7	Confident	71 Å²	71	78.2 Å²	78.2	50%	0.497	42%	0.419	S	S	.	.			trans	-60.6	145.7	174.8	-176.4	0	0	0	0	111.4	K566 Q567 A568	S564-K566 VanDerWaalsContact C-N 3.31Å; S564-K566 PolarHBondContact O-N 3.49Å; S564-K566 VanDerWaalsContact O-N 3.15Å; S564-Q567 WeakPolarHBondContact O-CA 3.27Å; S564-Q567 WeakPolarHBondContact O-CB 3.38Å; S564-Q567 PolarHBondContact O-N 3.12Å; S564-A568 PolarHBondContact O-N 3.32Å
565	T	67.6	Low	73.1	Confident	67 Å²	67	76.6 Å²	76.6	41%	0.411	42%	0.418	S	S	.	.	H	α-helix	trans	-42.5	-52.4	-177.7	-50.6	0	0	0	0	113.2	Q567 A568 E569	T565-Q567 VanDerWaalsContact C-N 3.3Å; T565-Q567 PolarHBondContact O-N 3.07Å; T565-A568 PolarHBondContact O-N 3.41Å; T565-E569 WeakPolarHBondContact CG2-OE1 3.27Å; T565-E569 WeakPolarHBondContact O-CG 3.49Å; T565-E569 PolarHBondContact O-N 2.92Å
566	K	69	Low	72.3	Confident	173 Å²	173	78.7 Å²	78.7	75%	0.752	43%	0.429	S	S	*	.	H	α-helix	trans	-65.6	-28.8	-179.7	-62.4	-176.5	178.5	-177.3	0	113.5	S564 K570	S564-K566 VanDerWaalsContact C-N 3.31Å; S564-K566 PolarHBondContact O-N 3.49Å; S564-K566 VanDerWaalsContact O-N 3.15Å; K566-K570 VanDerWaalsContact O-CB 3.28Å; K566-K570 WeakPolarHBondContact O-CB 3.44Å; K566-K570 PolarHBondContact O-N 3.14Å; K566-K570 VanDerWaalsContact O-N 3.1Å
567	Q	67.3	Low	71.2	Confident	112 Å²	112	75.4 Å²	75.4	52%	0.523	42%	0.419	S	S	.	.	H	α-helix	trans	-77.8	-40.6	176.5	-65.9	175.3	-20.4	0	0	111.5	S564 T565 K570 Q571	S564-Q567 WeakPolarHBondContact O-CA 3.27Å; S564-Q567 WeakPolarHBondContact O-CB 3.38Å; S564-Q567 PolarHBondContact O-N 3.12Å; T565-Q567 VanDerWaalsContact C-N 3.3Å; T565-Q567 PolarHBondContact O-N 3.07Å; Q567-K570 PolarHBondContact O-N 3.43Å; Q567-Q571 WeakPolarHBondContact O-CB 3.47Å; Q567-Q571 WeakPolarHBondContact O-CG 3.39Å; Q567-Q571 PolarHBondContact O-N 3.03Å
568	A	64.4	Low	70.1	Confident	0 Å²	0	79 Å²	79	0%	0	43%	0.428	C	S	.	.	H	α-helix	trans	-62.3	-43.8	174.9	0	0	0	0	0	111.4	L555 L558 K559 S564 T565 T572	L555-A568 HydrophobicContact CD2-CB 4.26Å; L558-A568 HydrophobicContact CB-CB 3.86Å; K559-A568 HydrophobicContact CG-CB 4.49Å; S564-A568 PolarHBondContact O-N 3.32Å; T565-A568 PolarHBondContact O-N 3.41Å; A568-T572 WeakPolarHBondContact O-CB 3.44Å; A568-T572 PolarHBondContact O-N 2.67Å; A568-T572 PolarHBondContact O-OG1 3.15Å
569	E	70.8	Confident	69.4	Low	63 Å²	63	84.1 Å²	84.1	29%	0.294	45%	0.449	S	S	.	.	H	α-helix	trans	-62.2	-49.1	174.5	-72.9	159	-167.5	0	0	112	L555 T565 T572 K573 L598	L555-E569 HydrophobicContact CD1-CG 4.07Å; T565-E569 WeakPolarHBondContact CG2-OE1 3.27Å; T565-E569 WeakPolarHBondContact O-CG 3.49Å; T565-E569 PolarHBondContact O-N 2.92Å; E569-T572 PolarHBondContact O-N 2.78Å; E569-K573 PolarHBondContact O-N 3.06Å; E569-L598 HydrophobicContact CB-CD1 4.42Å; E569-L598 HydrophobicContact CG-CD1 4.07Å
570	K	73.4	Confident	68.4	Low	133 Å²	133	84.3 Å²	84.3	58%	0.578	45%	0.451	S	S	*	.	H	α-helix	trans	-61.2	-46.9	178.6	-177.8	170.4	173.3	174.7	0	112.2	K566 Q567 T572 K573 E574	K566-K570 VanDerWaalsContact O-CB 3.28Å; K566-K570 WeakPolarHBondContact O-CB 3.44Å; K566-K570 PolarHBondContact O-N 3.14Å; K566-K570 VanDerWaalsContact O-N 3.1Å; Q567-K570 PolarHBondContact O-N 3.43Å; K570-T572 VanDerWaalsContact C-N 3.29Å; K570-T572 PolarHBondContact O-N 2.56Å; K570-K573 PolarHBondContact O-N 3.15Å; K570-E574 WeakPolarHBondContact CE-OE1 3.15Å; K570-E574 HydrophobicContact CG-CG 4.48Å; K570-E574 WeakPolarHBondContact CG-OE1 3.15Å; K570-E574 IonicContact NZ-OE1 2.7Å; K570-E574 WeakPolarHBondContact O-CG 3.46Å; K570-E574 PolarHBondContact O-N 3.28Å
571	Q	69.6	Low	67.4	Low	76 Å²	76	85.8 Å²	85.8	36%	0.355	44%	0.442	S	S	.	.	H	α-helix	trans	-62.8	-35.4	176.2	-73.2	-177.7	1.6	0	0	112.1	Q567 E574 V575	Q567-Q571 WeakPolarHBondContact O-CB 3.47Å; Q567-Q571 WeakPolarHBondContact O-CG 3.39Å; Q567-Q571 PolarHBondContact O-N 3.03Å; Q571-E574 PolarHBondContact O-N 3.37Å; Q571-V575 VanDerWaalsContact O-CG2 3.31Å; Q571-V575 WeakPolarHBondContact O-CG2 3.46Å; Q571-V575 PolarHBondContact O-N 3.42Å
572	T	64.7	Low	66.3	Low	13 Å²	13	91.2 Å²	91.2	8%	0.08	45%	0.45	C	S	.	.	H	α-helix	trans	-66	-45.4	175.5	-57.5	0	0	0	0	111.2	Q551 A568 E569 K570 V575 L576 L598	Q551-T572 HydrophobicContact CG-CG2 4.48Å; A568-T572 WeakPolarHBondContact O-CB 3.44Å; A568-T572 PolarHBondContact O-N 2.67Å; A568-T572 PolarHBondContact O-OG1 3.15Å; E569-T572 PolarHBondContact O-N 2.78Å; K570-T572 VanDerWaalsContact C-N 3.29Å; K570-T572 PolarHBondContact O-N 2.56Å; T572-V575 PolarHBondContact O-N 3.02Å; T572-L576 HydrophobicContact CG2-CD1 4.24Å; T572-L576 WeakPolarHBondContact O-CG 3.07Å; T572-L576 PolarHBondContact O-N 3Å; T572-L598 HydrophobicContact CG2-CD2 4.44Å
573	K	67.7	Low	65.3	Low	83 Å²	83	92.2 Å²	92.2	36%	0.361	44%	0.444	S	S	.	.	H	α-helix	trans	-61	-43.9	173.8	-71	-168.9	175.1	-167	0	112.2	E569 K570 V575 L576 T577 L598	E569-K573 PolarHBondContact O-N 3.06Å; K570-K573 PolarHBondContact O-N 3.15Å; K573-V575 VanDerWaalsContact C-N 3.33Å; K573-V575 PolarHBondContact O-N 3.34Å; K573-L576 PolarHBondContact O-N 2.98Å; K573-T577 PolarHBondContact O-N 2.91Å; K573-T577 PolarHBondContact O-OG1 3.23Å; K573-L598 HydrophobicContact CG-CD2 3.91Å; K573-L598 HydrophobicContact CG-CG 4.49Å
574	E	68.2	Low	64.1	Low	79 Å²	79	95.8 Å²	95.8	37%	0.369	46%	0.456	S	S	.	.	H	α-helix	trans	-64.2	-32.9	177.7	-74.3	173.7	-176.7	0	0	113.6	K570 Q571 T577 R578	K570-E574 WeakPolarHBondContact CE-OE1 3.15Å; K570-E574 HydrophobicContact CG-CG 4.48Å; K570-E574 WeakPolarHBondContact CG-OE1 3.15Å; K570-E574 IonicContact NZ-OE1 2.7Å; K570-E574 WeakPolarHBondContact O-CG 3.46Å; K570-E574 PolarHBondContact O-N 3.28Å; Q571-E574 PolarHBondContact O-N 3.37Å; E574-T577 PolarHBondContact O-OG1 2.8Å; E574-R578 VanDerWaalsContact O-CB 3.28Å; E574-R578 WeakPolarHBondContact O-CB 3.25Å; E574-R578 WeakPolarHBondContact O-CD 3.49Å; E574-R578 WeakPolarHBondContact O-CG 3.48Å; E574-R578 PolarHBondContact O-N 2.67Å; E574-R578 VanDerWaalsContact O-N 3.14Å
575	V	69.8	Low	63.3	Low	82 Å²	82	103.4 Å²	103.4	50%	0.497	47%	0.474	S	S	.	.	H	α-helix	trans	-72.9	-37	173.7	168.6	0	0	0	0	111.4	Q571 T572 K573 K579	Q571-V575 VanDerWaalsContact O-CG2 3.31Å; Q571-V575 WeakPolarHBondContact O-CG2 3.46Å; Q571-V575 PolarHBondContact O-N 3.42Å; T572-V575 PolarHBondContact O-N 3.02Å; K573-V575 VanDerWaalsContact C-N 3.33Å; K573-V575 PolarHBondContact O-N 3.34Å; V575-K579 PolarHBondContact O-N 3.48Å
576	L	63.3	Low	62.4	Low	63 Å²	63	109.4 Å²	109.4	33%	0.33	49%	0.494	S	S	.	.	H	α-helix	trans	-67	-48.6	176.2	-71.3	167.3	0	0	0	111.8	T572 K573 R578 K579 Q580	T572-L576 HydrophobicContact CG2-CD1 4.24Å; T572-L576 WeakPolarHBondContact O-CG 3.07Å; T572-L576 PolarHBondContact O-N 3Å; K573-L576 PolarHBondContact O-N 2.98Å; L576-R578 VanDerWaalsContact C-N 3.35Å; L576-R578 PolarHBondContact O-N 3.29Å; L576-K579 WeakPolarHBondContact O-CB 3.41Å; L576-K579 PolarHBondContact O-N 3.46Å; L576-K579 VanDerWaalsContact O-N 3.1Å; L576-Q580 PolarHBondContact O-N 3.14Å
577	T	62.3	Low	61.1	Low	46 Å²	46	107.6 Å²	107.6	28%	0.282	49%	0.492	S	S	.	.	H	α-helix	trans	-62.9	-39.7	176.9	55	0	0	0	0	112	K573 E574 K579 Q580 Q581 P596	K573-T577 PolarHBondContact O-N 2.91Å; K573-T577 PolarHBondContact O-OG1 3.23Å; E574-T577 PolarHBondContact O-OG1 2.8Å; T577-K579 VanDerWaalsContact C-N 3.32Å; T577-K579 PolarHBondContact O-N 2.98Å; T577-Q580 PolarHBondContact O-N 3.33Å; T577-Q581 WeakPolarHBondContact O-CB 3.15Å; T577-Q581 WeakPolarHBondContact O-CG 3.39Å; T577-Q581 PolarHBondContact O-N 3.41Å; T577-P596 HydrophobicContact CG2-CG 3.55Å
578	R	63.7	Low	59.7	Low	176 Å²	176	111 Å²	111	66%	0.664	51%	0.508	S	S	*	.	H	α-helix	trans	-64	-32.1	173.1	-77.4	175.5	172.3	-173.5	-0.8	113.4	E574 L576 K582	E574-R578 VanDerWaalsContact O-CB 3.28Å; E574-R578 WeakPolarHBondContact O-CB 3.25Å; E574-R578 WeakPolarHBondContact O-CD 3.49Å; E574-R578 WeakPolarHBondContact O-CG 3.48Å; E574-R578 PolarHBondContact O-N 2.67Å; E574-R578 VanDerWaalsContact O-N 3.14Å; L576-R578 VanDerWaalsContact C-N 3.35Å; L576-R578 PolarHBondContact O-N 3.29Å; R578-K582 PolarHBondContact O-N 3Å
579	K	63.2	Low	58.5	Low	146 Å²	146	118.5 Å²	118.5	64%	0.635	55%	0.549	S	S	*	.	H	α-helix	trans	-69	-48.7	171.9	-84.6	-168.1	170	-163.4	0	111.6	V575 L576 T577 Q581 K582 C583	V575-K579 PolarHBondContact O-N 3.48Å; L576-K579 WeakPolarHBondContact O-CB 3.41Å; L576-K579 PolarHBondContact O-N 3.46Å; L576-K579 VanDerWaalsContact O-N 3.1Å; T577-K579 VanDerWaalsContact C-N 3.32Å; T577-K579 PolarHBondContact O-N 2.98Å; K579-Q581 PolarHBondContact O-N 3.01Å; K579-K582 PolarHBondContact O-N 3.2Å; K579-C583 PolarHBondContact O-N 2.95Å; K579-C583 VanDerWaalsContact O-N 3.14Å; K579-C583 PolarHBondContact O-SG 3.12Å
580	Q	60.2	Low	57.2	Low	92 Å²	92	122 Å²	122	43%	0.43	57%	0.565	S	S	.	*	H	α-helix	trans	-58.3	-47	175.6	-76.9	176.6	-40.9	0	0	111.7	L576 T577 K582 C583 R584	L576-Q580 PolarHBondContact O-N 3.14Å; T577-Q580 PolarHBondContact O-N 3.33Å; Q580-K582 VanDerWaalsContact C-N 3.29Å; Q580-K582 PolarHBondContact O-N 2.96Å; Q580-C583 PolarHBondContact O-N 3.45Å; Q580-R584 PolarHBondContact O-N 3.24Å
581	Q	58.5	Low	55.5	Low	122 Å²	122	124.5 Å²	124.5	57%	0.57	58%	0.579	S	S	*	*	H	α-helix	trans	-61.5	-31.8	177.5	-75.7	178.5	-19.4	0	0	113.6	T577 K579	T577-Q581 WeakPolarHBondContact O-CB 3.15Å; T577-Q581 WeakPolarHBondContact O-CG 3.39Å; T577-Q581 PolarHBondContact O-N 3.41Å; K579-Q581 PolarHBondContact O-N 3.01Å
582	K	56.2	Low	54.3	Low	173 Å²	173	124.7 Å²	124.7	75%	0.752	59%	0.588	S	S	*	*	H	α-helix	trans	-71.7	-30.3	171.8	-81.8	-169.3	172.6	-169	0	112.9	R578 K579 Q580	R578-K582 PolarHBondContact O-N 3Å; K579-K582 PolarHBondContact O-N 3.2Å; Q580-K582 VanDerWaalsContact C-N 3.29Å; Q580-K582 PolarHBondContact O-N 2.96Å
583	C	50.1	Low	53.4	Low	92 Å²	92	131.3 Å²	131.3	62%	0.622	62%	0.618	S	S	*	*	H	α-helix	trans	-78.9	-38.4	176.6	-57.1	0	0	0	0	112.1	K579 Q580 R585 K586	K579-C583 PolarHBondContact O-N 2.95Å; K579-C583 VanDerWaalsContact O-N 3.14Å; K579-C583 PolarHBondContact O-SG 3.12Å; Q580-C583 PolarHBondContact O-N 3.45Å; C583-R585 PolarHBondContact O-N 3.2Å; C583-K586 PolarHBondContact O-N 3.04Å
584	R	46.7	Very low	52.2	Low	150 Å²	150	133.7 Å²	133.7	57%	0.566	63%	0.631	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.8	-10.1	173.8	-72.6	-178.8	79	-166.9	2.1	114.4	Q580 K586 N587 E590	Q580-R584 PolarHBondContact O-N 3.24Å; R584-K586 VanDerWaalsContact C-N 3.25Å; R584-K586 PolarHBondContact O-N 2.91Å; R584-N587 VanDerWaalsContact O-O 3.12Å; R584-E590 PolarHBondContact NH2-O 3.29Å
585	R	52.2	Low	50.8	Low	231 Å²	231	135.2 Å²	135.2	87%	0.872	65%	0.647	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.8	4.5	171.1	-75.7	-170	171.5	-161.6	-3.9	114.5	C583	C583-R585 PolarHBondContact O-N 3.2Å
586	K	48.7	Very low	49.7	Very low	193 Å²	193	132.8 Å²	132.8	84%	0.839	63%	0.633	S	S	*	*	T	Hydrogen-bonded Turn	trans	-114.2	-28.8	172.4	-83	-164.8	169	-167.2	0	115.4	C583 R584	C583-K586 PolarHBondContact O-N 3.04Å; R584-K586 VanDerWaalsContact C-N 3.25Å; R584-K586 PolarHBondContact O-N 2.91Å
587	N	42	Very low	49.4	Very low	135 Å²	135	135.6 Å²	135.6	72%	0.722	65%	0.645	S	S	*	*			trans	-124.9	127.3	178.6	-61.9	23	0	0	0	107.9	R584	R584-N587 VanDerWaalsContact O-O 3.12Å
588	Q	37.8	Very low	49.4	Very low	182 Å²	182	135.6 Å²	135.6	85%	0.85	64%	0.643	S	S	*	*			trans	-105.4	-7.6	-158.1	-159.8	160.5	-10.8	0	0	115.1
589	D	40.4	Very low	49.4	Very low	159 Å²	159	130.2 Å²	130.2	85%	0.85	63%	0.627	S	S	*	*			trans	-109.8	18.4	-162	-54.7	-71.6	0	0	0	116.3
590	E	41.5	Very low	49.5	Very low	137 Å²	137	130.5 Å²	130.5	64%	0.64	63%	0.628	S	S	*	*			trans	-110.3	103.3	172.1	-72.8	-168.1	168.5	0	0	112	R584	R584-E590 PolarHBondContact NH2-O 3.29Å
591	E	38.8	Very low	49.7	Very low	185 Å²	185	133.8 Å²	133.8	86%	0.864	64%	0.637	S	S	*	*			trans	-112.4	12.8	-178.9	-151.3	174.5	-145.8	0	0	114.4
592	S	44.9	Very low	49.9	Very low	79 Å²	79	129.5 Å²	129.5	55%	0.552	62%	0.619	S	S	*	*			trans	-141.4	77.2	179.1	51.2	0	0	0	0	114.5	K305	K305-S592 PolarHBondContact NZ-OG 3.29Å
593	Q	44.2	Very low	50	Low	153 Å²	153	129.3 Å²	129.3	72%	0.715	62%	0.618	S	S	*	*			trans	-134.5	142.8	160.4	-70.1	-166.2	10.7	0	0	111.9
594	E	42.9	Very low	50.2	Low	133 Å²	133	131.3 Å²	131.3	62%	0.621	62%	0.618	S	S	*	*			trans	-68.5	160.3	-176.8	-68.8	157.7	136.8	0	0	112	R522	R522-E594 IonicContact NH2-OE2 2.74Å
595	P	39.3	Very low	50.7	Low	110 Å²	110	128.3 Å²	128.3	71%	0.714	61%	0.608	S	S	*	*			trans	-59	132.7	176.7	24.7	-34.9	0	0	0	110.7	E597	P595-E597 PolarHBondContact O-N 3.09Å
596	P	47.1	Very low	51.2	Low	32 Å²	32	121.5 Å²	121.5	21%	0.208	59%	0.592	C	S	.	*			trans	-61.7	114.6	-174.6	24.7	-35.1	0	0	0	111.2	T577	T577-P596 HydrophobicContact CG2-CG 3.55Å
597	E	56.3	Low	52.7	Low	122 Å²	122	112.9 Å²	112.9	57%	0.57	56%	0.555	S	S	*	*	P	Polyproline II helix	trans	-64.7	162.1	167.4	-65.7	-137.6	108.2	0	0	110.8	P595 K600	P595-E597 PolarHBondContact O-N 3.09Å; E597-K600 WeakPolarHBondContact OE2-CE 3.39Å; E597-K600 IonicContact OE2-NZ 2.76Å; E597-K600 PolarHBondContact OE2-NZ 3.23Å
598	L	61.7	Low	54.6	Low	45 Å²	45	113.7 Å²	113.7	24%	0.236	55%	0.548	C	S	.	.	P	Polyproline II helix	trans	-71.8	143.3	166.3	-58.9	172.5	0	0	0	107.5	E569 T572 K573 K600	E569-L598 HydrophobicContact CB-CD1 4.42Å; E569-L598 HydrophobicContact CG-CD1 4.07Å; T572-L598 HydrophobicContact CG2-CD2 4.44Å; K573-L598 HydrophobicContact CG-CD2 3.91Å; K573-L598 HydrophobicContact CG-CG 4.49Å; L598-K600 PolarHBondContact O-N 3.43Å; L598-K600 VanDerWaalsContact O-N 3.12Å
599	L	64.1	Low	57	Low	64 Å²	64	105.1 Å²	105.1	34%	0.335	51%	0.508	S	S	.	.	P	Polyproline II helix	trans	-57	123.5	170.7	-66.6	171.4	0	0	0	107.9	L544 Q547 Y548	L544-L599 HydrophobicContact CD2-CD2 4.43Å; Q547-L599 HydrophobicContact CB-CD1 3.82Å; Y548-L599 HydrophobicContact CD2-CB 4.01Å; Y548-L599 VanDerWaalsContact CD2-O 3.29Å; Y548-L599 WeakPolarHBondContact CD2-O 3.45Å; Y548-L599 VanDerWaalsContact CE2-O 3.24Å; Y548-L599 WeakPolarHBondContact CE2-O 3.44Å
600	K	65.8	Low	59.2	Low	151 Å²	151	99 Å²	99	66%	0.657	48%	0.477	S	S	*	.	P	Polyproline II helix	trans	-76.6	146.6	171.9	-65	163.3	-169.3	165.3	0	106.7	E597 L598 P602	E597-K600 WeakPolarHBondContact OE2-CE 3.39Å; E597-K600 IonicContact OE2-NZ 2.76Å; E597-K600 PolarHBondContact OE2-NZ 3.23Å; L598-K600 PolarHBondContact O-N 3.43Å; L598-K600 VanDerWaalsContact O-N 3.12Å; K600-P602 WeakPolarHBondContact O-CD 3.41Å
601	R	63.7	Low	61.5	Low	162 Å²	162	92.6 Å²	92.6	61%	0.611	45%	0.447	S	S	*	.	P	Polyproline II helix	trans	-54.7	126.4	175	-174.1	-175.2	168.7	162.5	-2.2	107.4	Y548 K603 E604	Y548-R601 HydrophobicContact CD1-CG 4.43Å; Y548-R601 HydrophobicContact CE1-CB 3.87Å; Y548-R601 HydrophobicContact CE1-CG 3.87Å; Y548-R601 HydrophobicContact CE2-CB 4.15Å; R601-K603 PolarHBondContact O-N 2.89Å; R601-E604 IonicContact CZ-OE2 2.82Å; R601-E604 IonicContact NE-OE2 3.97Å; R601-E604 PolarHBondContact NE-OE2 2.66Å; R601-E604 IonicContact NH2-OE2 3.75Å; R601-E604 PolarHBondContact NH2-OE2 2.8Å
602	P	63.1	Low	64	Low	32 Å²	32	86.2 Å²	86.2	21%	0.208	42%	0.422	C	S	.	.	P	Polyproline II helix	trans	-51.5	132.7	170.3	-27.7	37.2	0	0	0	109.3	V545 K600 E604	V545-P602 HydrophobicContact CG2-CB 4.34Å; V545-P602 HydrophobicContact CG2-CG 3.93Å; K600-P602 WeakPolarHBondContact O-CD 3.41Å; P602-E604 PolarHBondContact O-N 3.17Å
603	K	58.4	Low	66.2	Low	168 Å²	168	87.1 Å²	87.1	73%	0.73	42%	0.42	S	S	*	.			trans	-72.7	104.6	175.4	-71.1	-174.3	-180	-178.3	0	107.5	R601 Y605	R601-K603 PolarHBondContact O-N 2.89Å; K603-Y605 HydrophobicContact CB-CD2 4.33Å; K603-Y605 HydrophobicContact CD-CE2 4.26Å; K603-Y605 PolarHBondContact O-N 3.14Å
604	E	54.9	Low	68.5	Low	134 Å²	134	80.8 Å²	80.8	63%	0.626	39%	0.392	S	S	*	.			trans	-65.1	82.3	156.8	-76.2	155.9	113.7	0	0	107.9	R601 P602	R601-E604 IonicContact CZ-OE2 2.82Å; R601-E604 IonicContact NE-OE2 3.97Å; R601-E604 PolarHBondContact NE-OE2 2.66Å; R601-E604 IonicContact NH2-OE2 3.75Å; R601-E604 PolarHBondContact NH2-OE2 2.8Å; P602-E604 PolarHBondContact O-N 3.17Å
605	Y	56.5	Low	70.7	Confident	88 Å²	88	78.1 Å²	78.1	35%	0.345	39%	0.386	S	S	.	.			trans	-68.7	133.4	136	-82.8	-80.1	0	0	0	106.4	K603 E729	K603-Y605 HydrophobicContact CB-CD2 4.33Å; K603-Y605 HydrophobicContact CD-CE2 4.26Å; K603-Y605 PolarHBondContact O-N 3.14Å; Y605-E729 HydrophobicContact CE1-CG 4.33Å; Y605-E729 WeakPolarHBondContact OH-CB 3.39Å; Y605-E729 WeakPolarHBondContact OH-CG 3.49Å; Y605-E729 PolarHBondContact OH-OE2 3.11Å
606	T	64.1	Low	73	Confident	87 Å²	87	79.4 Å²	79.4	53%	0.534	40%	0.395	S	S	.	.			trans	-141.5	81.7	175.3	-55.2	0	0	0	0	104.3	R608	T606-R608 HydrophobicContact CG2-CG 4.29Å; T606-R608 PolarHBondContact O-N 1.91Å
607	V	78.5	Confident	75	Confident	12 Å²	12	79.3 Å²	79.3	7%	0.073	39%	0.393	C	S	.	.			trans	-63.8	125.3	174.9	-176.4	0	0	0	0	107.5	F609 E773 A777	V607-F609 HydrophobicContact CG1-CD1 3.55Å; V607-F609 HydrophobicContact CG1-CE1 3.44Å; V607-F609 VanDerWaalsContact CG1-CE1 3.44Å; V607-E773 HydrophobicContact CB-CG 4.2Å; V607-E773 HydrophobicContact CG2-CG 4.2Å; V607-E773 WeakPolarHBondContact CG2-OE1 3.45Å; V607-E773 PolarHBondContact N-OE1 3.35Å; V607-E773 VanDerWaalsContact N-OE1 3.11Å; V607-A777 HydrophobicContact CB-CB 4.4Å; V607-A777 HydrophobicContact CG1-CB 3.98Å
608	R	83.6	Confident	76.4	Confident	153 Å²	153	77.2 Å²	77.2	58%	0.577	39%	0.391	S	S	*	.			trans	-141.3	77.9	-178.5	-96.7	-173.2	164	-168.1	-8	109.6	T606 T610 R725	T606-R608 HydrophobicContact CG2-CG 4.29Å; T606-R608 PolarHBondContact O-N 1.91Å; R608-T610 PolarHBondContact O-N 3.05Å; R608-R725 HydrophobicContact CB-CG 4.47Å; R608-R725 PolarHBondContact N-O 2.57Å; R608-R725 WeakPolarHBondContact O-CD 3.4Å; R608-R725 WeakPolarHBondContact O-CG 3.47Å; R608-R725 PolarHBondContact O-NE 2.93Å
609	F	86.4	Confident	77.6	Confident	2 Å²	2	79.6 Å²	79.6	1%	0.009	41%	0.409	C	S	.	.			trans	-62.7	123.3	168.1	-69.2	26.7	0	0	0	106	V607 F726 R747 F750 L770 L778 A781	V607-F609 HydrophobicContact CG1-CD1 3.55Å; V607-F609 HydrophobicContact CG1-CE1 3.44Å; V607-F609 VanDerWaalsContact CG1-CE1 3.44Å; F609-F726 HydrophobicContact CB-CD1 4.18Å; F609-F726 HydrophobicContact CB-CE1 3.72Å; F609-F726 HydrophobicContact CD1-CB 4.44Å; F609-F726 AromaticContact CD1-CD1 3.37Å; F609-F726 HydrophobicContact CD1-CD1 3.37Å; F609-F726 AromaticContact CD1-CE1 3.86Å; F609-F726 HydrophobicContact CD1-CE1 3.86Å; F609-F726 HydrophobicContact CD1-CG 4.23Å; F609-F726 AromaticContact CD2-CD1 3.88Å; F609-F726 HydrophobicContact CD2-CD1 3.88Å; F609-F726 AromaticContact CD2-CE1 3.85Å; F609-F726 HydrophobicContact CD2-CE1 3.85Å; F609-F726 HydrophobicContact CE1-CB 4.2Å; F609-F726 AromaticContact CE1-CD1 3.63Å; F609-F726 HydrophobicContact CE1-CD1 3.63Å; F609-F726 HydrophobicContact CE1-CE1 4.47Å; F609-F726 HydrophobicContact CE1-CG 4.37Å; F609-F726 HydrophobicContact CE2-CD1 4.11Å; F609-F726 HydrophobicContact CE2-CE1 4.47Å; F609-F726 AromaticContact CG-CD1 3.51Å; F609-F726 HydrophobicContact CG-CD1 3.51Å; F609-F726 AromaticContact CG-CE1 3.51Å; F609-F726 HydrophobicContact CG-CE1 3.51Å; F609-F726 AromaticContact CZ-CD1 4Å; F609-F726 HydrophobicContact CZ-CD1 4Å; F609-R747 HydrophobicContact CZ-CG 4.48Å; F609-F750 HydrophobicContact CD2-CB 4.47Å; F609-F750 HydrophobicContact CD2-CD1 4.46Å; F609-F750 HydrophobicContact CD2-CG 4.29Å; F609-F750 HydrophobicContact CE2-CB 4.03Å; F609-F750 HydrophobicContact CE2-CD1 4.16Å; F609-F750 AromaticContact CE2-CD2 3.63Å; F609-F750 HydrophobicContact CE2-CD2 3.63Å; F609-F750 HydrophobicContact CE2-CE2 4.11Å; F609-F750 AromaticContact CE2-CG 3.68Å; F609-F750 HydrophobicContact CE2-CG 3.68Å; F609-F750 HydrophobicContact CZ-CB 4.42Å; F609-F750 HydrophobicContact CZ-CD2 4.08Å; F609-F750 HydrophobicContact CZ-CG 4.35Å; F609-L770 HydrophobicContact CE2-CD1 4.49Å; F609-L770 HydrophobicContact CZ-CD2 4.43Å; F609-L778 HydrophobicContact CD2-CB 4.01Å; F609-L778 HydrophobicContact CD2-CD1 4.01Å; F609-L778 HydrophobicContact CE2-CB 4.39Å; F609-A781 HydrophobicContact CB-CB 3.82Å; F609-A781 WeakPolarHBondContact O-CB 3.42Å
610	T	86.6	Confident	78.6	Confident	31 Å²	31	81.1 Å²	81.1	19%	0.19	42%	0.423	C	S	.	.			trans	-145.8	141.5	154.2	-13.9	0	0	0	0	107.3	R608 R725 E784	R608-T610 PolarHBondContact O-N 3.05Å; T610-R725 PolarHBondContact OG1-NH2 2.62Å; T610-E784 VanDerWaalsContact CB-OE2 3.22Å; T610-E784 WeakPolarHBondContact CB-OE2 3.41Å; T610-E784 PolarHBondContact OG1-OE2 2.92Å
611	F	90.7	Very high	79.8	Confident	2 Å²	2	74 Å²	74	1%	0.009	39%	0.392	C	S	.	.	P	Polyproline II helix	trans	-95.8	144.3	178.7	-54.9	-77.4	0	0	0	108.5	F726 F750 A754 L761 L778 A781 Y785	F611-F726 HydrophobicContact CE1-CE1 4.18Å; F611-F726 HydrophobicContact CE1-CZ 4.22Å; F611-F726 HydrophobicContact CZ-CE1 4.37Å; F611-F750 HydrophobicContact CZ-CD1 4.15Å; F611-A754 HydrophobicContact CD1-CB 4.04Å; F611-A754 HydrophobicContact CE1-CB 4.48Å; F611-L761 HydrophobicContact CD1-CD1 4.45Å; F611-L761 HydrophobicContact CD2-CD1 3.66Å; F611-L761 HydrophobicContact CE2-CD1 3.94Å; F611-L761 HydrophobicContact CG-CD1 3.95Å; F611-L761 HydrophobicContact CZ-CD1 4.45Å; F611-L778 HydrophobicContact CE2-CD1 4.19Å; F611-L778 HydrophobicContact CZ-CD1 4.31Å; F611-A781 HydrophobicContact CD2-CB 4.01Å; F611-A781 HydrophobicContact CE2-CB 3.74Å; F611-Y785 HydrophobicContact CB-CD2 3.73Å; F611-Y785 HydrophobicContact CB-CE2 4.02Å; F611-Y785 HydrophobicContact CB-CG 4.36Å
612	P	90.8	Very high	81.2	Confident	51 Å²	51	66.4 Å²	66.4	33%	0.331	36%	0.364	S	S	.	.	P	Polyproline II helix	trans	-69	136.6	177.1	29.8	-33.8	0	0	0	109.9	E757	P612-E757 HydrophobicContact CG-CB 4.17Å; P612-E757 HydrophobicContact CG-CG 3.86Å
613	D	91.9	Very high	82.7	Confident	97 Å²	97	65.1 Å²	65.1	52%	0.519	36%	0.356	S	S	.	.	P	Polyproline II helix	trans	-66.5	138.3	-177	-63.4	-57.8	0	0	0	112.3	Q786	D613-Q786 HydrophobicContact CB-CB 4.21Å; D613-Q786 HydrophobicContact CB-CG 4.4Å; D613-Q786 WeakPolarHBondContact OD1-CB 3.41Å; D613-Q786 WeakPolarHBondContact OD1-CG 3.48Å; D613-Q786 PolarHBondContact OD1-N 3.48Å
614	P	91.6	Very high	84.4	Confident	20 Å²	20	57.1 Å²	57.1	13%	0.13	32%	0.321	C	S	.	.	P	Polyproline II helix	trans	-77.1	151.9	-176.9	30.5	-34.1	0	0	0	112.8	M647 D759	P614-M647 HydrophobicContact CB-CE 4.28Å; P614-M647 HydrophobicContact CG-CE 3.74Å; P614-D759 HydrophobicContact CB-CB 4.01Å; P614-D759 WeakPolarHBondContact CB-OD1 3.39Å
615	P	89.3	Confident	86.3	Confident	77 Å²	77	53.7 Å²	53.7	50%	0.5	31%	0.305	S	S	.	.	P	Polyproline II helix	trans	-66.9	151.1	171.8	30.5	-35.1	0	0	0	110.9	L617	P615-L617 PolarHBondContact O-N 3.37Å
616	P	87.3	Confident	88.2	Confident	138 Å²	138	50.3 Å²	50.3	90%	0.896	30%	0.297	S	S	*	.	P	Polyproline II helix	trans	-60.6	123.2	-177.7	23.9	-34.1	0	0	0	111.7
617	L	89.3	Confident	89.6	Confident	30 Å²	30	46.2 Å²	46.2	16%	0.157	27%	0.272	C	S	.	.			trans	-110.8	141.4	-174.8	-168.8	65.4	0	0	0	111.2	P615 V621 M647 N682 R684 L685	P615-L617 PolarHBondContact O-N 3.37Å; L617-V621 HydrophobicContact CD2-CG1 4.42Å; L617-M647 HydrophobicContact CB-SD 4.07Å; L617-M647 HydrophobicContact CD2-SD 4.12Å; L617-N682 HydrophobicContact CD1-CB 4.41Å; L617-N682 WeakPolarHBondContact CD1-ND2 3.41Å; L617-N682 HydrophobicContact CD2-CB 4.16Å; L617-N682 HydrophobicContact CG-CB 4.41Å; L617-R684 HydrophobicContact CD1-CB 4.08Å; L617-L685 HydrophobicContact CD2-CB 4.49Å; L617-L685 HydrophobicContact CD2-CD1 3.33Å
618	S	86.9	Confident	90.4	Very high	77 Å²	77	47.1 Å²	47.1	54%	0.538	28%	0.278	S	S	.	.	P	Polyproline II helix	trans	-79.4	129.1	177.7	58.9	0	0	0	0	111.7	N682	S618-N682 PolarHBondContact O-ND2 2.84Å; S618-N682 PolarHBondContact OG-ND2 2.6Å; S618-N682 VanDerWaalsContact OG-ND2 3.12Å
619	P	85.9	Confident	91	Very high	96 Å²	96	40.5 Å²	40.5	62%	0.623	25%	0.253	S	S	*	.	S	Bend	trans	-58.6	155.5	169.4	-25.3	35.4	0	0	0	112.9
620	P	86.2	Confident	91.3	Very high	95 Å²	95	41.4 Å²	41.4	62%	0.617	26%	0.263	S	S	*	.	P	Polyproline II helix	cis	-72.2	140.6	-4.4	30.8	-35.1	0	0	0	111.9
621	V	90.4	Very high	91.4	Very high	1 Å²	1	44.1 Å²	44.1	1%	0.006	27%	0.27	C	S	.	.			trans	-74.4	-66.7	179.9	-176.7	0	0	0	0	109.7	L617 I645 M647 K681 N682 L685 V760	L617-V621 HydrophobicContact CD2-CG1 4.42Å; V621-I645 HydrophobicContact CB-CG1 4.43Å; V621-I645 HydrophobicContact CG1-CG1 4.34Å; V621-M647 HydrophobicContact CG1-SD 3.79Å; V621-M647 HydrophobicContact CG2-CG 3.75Å; V621-M647 HydrophobicContact CG2-SD 3.88Å; V621-K681 WeakPolarHBondContact O-CA 3.44Å; V621-N682 PolarHBondContact O-N 2.89Å; V621-L685 HydrophobicContact CG1-CD1 3.57Å; V621-V760 HydrophobicContact CG1-CG2 3.92Å
622	L	93.3	Very high	91.3	Very high	4 Å²	4	53.5 Å²	53.5	2%	0.021	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.7	143.3	180	-175.1	149.9	0	0	0	110.1	I645 L668 R680 K681 L685 I687	L622-I645 HydrophobicContact CB-CD1 3.89Å; L622-I645 HydrophobicContact CB-CG1 3.97Å; L622-I645 HydrophobicContact CD2-CD1 4.24Å; L622-I645 PolarHBondContact O-N 3.37Å; L622-L668 HydrophobicContact CD2-CB 4.09Å; L622-L668 HydrophobicContact CD2-CD2 3.44Å; L622-L668 VanDerWaalsContact CD2-CD2 3.44Å; L622-L668 HydrophobicContact CD2-CG 4.35Å; L622-R680 CarbonylContact C-O 3.6Å; L622-R680 WeakPolarHBondContact CA-O 3.38Å; L622-K681 HydrophobicContact CB-CB 4.21Å; L622-K681 HydrophobicContact CD1-CB 4.18Å; L622-K681 HydrophobicContact CD1-CD 4.38Å; L622-K681 HydrophobicContact CG-CB 4.1Å; L622-L685 HydrophobicContact CB-CD2 3.92Å; L622-L685 HydrophobicContact CD1-CD2 3.61Å; L622-L685 HydrophobicContact CG-CD2 4.37Å; L622-I687 HydrophobicContact CD1-CD1 3.55Å; L622-I687 HydrophobicContact CD1-CG1 4.33Å
623	G	93.3	Very high	91	Very high	4 Å²	4	55.3 Å²	55.3	4%	0.041	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-167.8	157.8	175.2	0	0	0	0	0	114.5	F643 M679 R680	G623-F643 CarbonylContact C-O 3.57Å; G623-F643 WeakPolarHBondContact CA-O 3.37Å; G623-M679 CarbonylContact O-C 3.48Å; G623-M679 WeakPolarHBondContact O-CA 3.49Å; G623-R680 PolarHBondContact N-O 2.77Å; G623-R680 PolarHBondContact O-N 2.88Å
624	L	95.2	Very high	90.8	Very high	1 Å²	1	56.7 Å²	56.7	1%	0.005	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	137	170.3	-55.7	-177.5	0	0	0	108.3	V627 L641 D642 F643 L664 L667 L668 M679	L624-V627 HydrophobicContact CB-CB 4.13Å; L624-V627 HydrophobicContact CB-CG2 3.81Å; L624-V627 HydrophobicContact CD2-CG2 4.28Å; L624-L641 HydrophobicContact CD1-CD2 3.87Å; L624-L641 HydrophobicContact CD1-CG 4.47Å; L624-D642 WeakPolarHBondContact O-CA 3.13Å; L624-F643 HydrophobicContact CB-CB 4.49Å; L624-F643 PolarHBondContact N-O 2.75Å; L624-F643 PolarHBondContact O-N 2.88Å; L624-L664 HydrophobicContact CD1-CD1 3.53Å; L624-L667 HydrophobicContact CD2-CB 4.41Å; L624-L668 HydrophobicContact CD1-CD2 3.9Å; L624-L668 HydrophobicContact CD1-CG 4.38Å; L624-L668 HydrophobicContact CD2-CD2 4.05Å; L624-L668 HydrophobicContact CG-CD2 3.72Å; L624-M679 HydrophobicContact CD2-CB 3.68Å; L624-M679 HydrophobicContact CD2-CG 3.65Å
625	H	95.5	Very high	90.6	Very high	61 Å²	61	63.1 Å²	63.1	28%	0.282	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	120.5	179.3	-60.5	-66.4	0	0	0	111.9	V627 D642 G677 E678 R680	H625-V627 PolarHBondContact O-N 3.11Å; H625-V627 VanDerWaalsContact O-N 3.13Å; H625-D642 VanDerWaalsContact CA-OD1 3.23Å; H625-D642 WeakPolarHBondContact CA-OD1 3.37Å; H625-G677 VanDerWaalsContact O-CA 3.23Å; H625-G677 WeakPolarHBondContact O-CA 3Å; H625-E678 PolarHBondContact N-O 2.68Å; H625-E678 PolarHBondContact O-N 2.72Å; H625-R680 VanDerWaalsContact CD2-CD 3.46Å; H625-R680 WeakPolarHBondContact CD2-CD 3.29Å; H625-R680 PolarHBondContact CD2-NH1 2.98Å; H625-R680 PolarHBondContact NE2-NH1 3.22Å
626	G	94.5	Very high	90.7	Very high	18 Å²	18	61.4 Å²	61.4	19%	0.186	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	55.5	23.5	-176.9	0	0	0	0	0	114.3	T628 L641 D642	G626-T628 PolarHBondContact O-N 3.48Å; G626-L641 PolarHBondContact N-O 3.02Å; G626-D642 PolarHBondContact N-OD1 3.02Å
627	V	95.4	Very high	90.9	Very high	0 Å²	0	56.7 Å²	56.7	0%	0	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	126.5	-164.6	162.2	0	0	0	0	111.8	L624 H625 K639 N640 L641 L667 P674 N676	L624-V627 HydrophobicContact CB-CB 4.13Å; L624-V627 HydrophobicContact CB-CG2 3.81Å; L624-V627 HydrophobicContact CD2-CG2 4.28Å; H625-V627 PolarHBondContact O-N 3.11Å; H625-V627 VanDerWaalsContact O-N 3.13Å; V627-K639 CarbonylContact O-C 3.54Å; V627-N640 PolarHBondContact O-N 3.32Å; V627-N640 VanDerWaalsContact O-N 3.11Å; V627-L641 HydrophobicContact CB-CB 4.37Å; V627-L641 PolarHBondContact N-O 2.87Å; V627-L641 WeakPolarHBondContact O-CB 3.34Å; V627-L641 PolarHBondContact O-N 3.32Å; V627-L667 HydrophobicContact CG1-CD1 4.32Å; V627-P674 HydrophobicContact CG1-CB 3.9Å; V627-P674 HydrophobicContact CG2-CB 4.1Å; V627-P674 HydrophobicContact CG2-CG 4.46Å; V627-N676 WeakPolarHBondContact CA-O 3.42Å
628	T	95.3	Very high	91.1	Very high	31 Å²	31	55.3 Å²	55.3	19%	0.19	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	127.1	173.1	-57	0	0	0	0	108.2	G626 F638 K639 N640 T675 N676	G626-T628 PolarHBondContact O-N 3.48Å; T628-F638 VanDerWaalsContact CA-O 3.31Å; T628-F638 WeakPolarHBondContact CA-O 3.41Å; T628-F638 WeakPolarHBondContact CG2-O 3.37Å; T628-K639 HydrophobicContact CG2-CG 4.4Å; T628-N640 PolarHBondContact OG1-N 3.13Å; T628-N640 VanDerWaalsContact OG1-N 3.16Å; T628-T675 WeakPolarHBondContact O-CA 3.13Å; T628-T675 VanDerWaalsContact O-CB 3.29Å; T628-T675 WeakPolarHBondContact O-CB 3.39Å; T628-T675 PolarHBondContact O-N 3.2Å; T628-N676 PolarHBondContact N-O 2.78Å; T628-N676 PolarHBondContact O-N 3.45Å; T628-N676 VanDerWaalsContact O-N 3.12Å
629	F	94.9	Very high	91.5	Very high	15 Å²	15	56.8 Å²	56.8	7%	0.066	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145	141.6	-177.9	-178.9	-93.7	0	0	0	112	Y631 P636 L637 F638 T663 L667 L672 T673	F629-Y631 HydrophobicContact CE1-CD1 4.31Å; F629-Y631 HydrophobicContact CE1-CD2 4.37Å; F629-Y631 HydrophobicContact CE1-CE1 4.07Å; F629-Y631 HydrophobicContact CE1-CE2 4.12Å; F629-Y631 HydrophobicContact CE1-CG 4.45Å; F629-Y631 AromaticContact CE1-CZ 3.97Å; F629-Y631 HydrophobicContact CZ-CD1 4.23Å; F629-Y631 HydrophobicContact CZ-CE1 4.04Å; F629-P636 CarbonylContact O-C 3.53Å; F629-P636 WeakPolarHBondContact O-CA 3.3Å; F629-P636 WeakPolarHBondContact O-CB 3.32Å; F629-L637 PolarHBondContact O-N 2.77Å; F629-F638 PolarHBondContact N-O 3.06Å; F629-F638 PolarHBondContact O-N 3.39Å; F629-F638 VanDerWaalsContact O-N 3.17Å; F629-T663 HydrophobicContact CD1-CG2 3.6Å; F629-T663 HydrophobicContact CE1-CG2 3.43Å; F629-T663 VanDerWaalsContact CE1-CG2 3.43Å; F629-T663 HydrophobicContact CZ-CG2 4.44Å; F629-L667 HydrophobicContact CB-CD1 3.94Å; F629-L667 HydrophobicContact CB-CD2 4.29Å; F629-L667 HydrophobicContact CD1-CD1 4.36Å; F629-L667 HydrophobicContact CD2-CD2 3.97Å; F629-L667 HydrophobicContact CG-CD1 4.11Å; F629-L667 HydrophobicContact CG-CD2 4.08Å; F629-L672 HydrophobicContact CE1-CD1 4.18Å; F629-L672 HydrophobicContact CE2-CB 4.33Å; F629-L672 HydrophobicContact CZ-CB 4.49Å; F629-L672 HydrophobicContact CZ-CD1 3.91Å; F629-L672 HydrophobicContact CZ-CD2 4.31Å; F629-L672 HydrophobicContact CZ-CG 4.47Å; F629-T673 WeakPolarHBondContact CD2-O 3.47Å; F629-T673 WeakPolarHBondContact CE2-O 3.08Å
630	G	92.1	Very high	91.9	Very high	20 Å²	20	57.4 Å²	57.4	21%	0.206	32%	0.315	C	S	.	.			trans	-154.3	152	170.8	0	0	0	0	0	111.1
631	Y	90	Very high	92.3	Very high	89 Å²	89	53 Å²	53	35%	0.349	29%	0.286	S	S	.	.			trans	-72.8	152.1	169.6	-65.1	-73.9	0	0	0	110.6	F629 G633 Q634 L637 T663	F629-Y631 HydrophobicContact CE1-CD1 4.31Å; F629-Y631 HydrophobicContact CE1-CD2 4.37Å; F629-Y631 HydrophobicContact CE1-CE1 4.07Å; F629-Y631 HydrophobicContact CE1-CE2 4.12Å; F629-Y631 HydrophobicContact CE1-CG 4.45Å; F629-Y631 AromaticContact CE1-CZ 3.97Å; F629-Y631 HydrophobicContact CZ-CD1 4.23Å; F629-Y631 HydrophobicContact CZ-CE1 4.04Å; Y631-G633 PolarHBondContact O-N 3.45Å; Y631-Q634 WeakPolarHBondContact O-CB 3.47Å; Y631-Q634 PolarHBondContact O-N 2.83Å; Y631-L637 HydrophobicContact CD2-CD1 3.94Å; Y631-L637 HydrophobicContact CE2-CD1 3.67Å; Y631-T663 HydrophobicContact CE2-CG2 4.16Å; Y631-T663 WeakPolarHBondContact OH-CG2 3.32Å; Y631-T663 PolarHBondContact OH-OG1 3.02Å
632	E	87.4	Confident	92.4	Very high	199 Å²	199	57.4 Å²	57.4	93%	0.93	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.3	132.6	-174.9	-170.2	170.3	-162.3	0	0	111.8	Q634	E632-Q634 PolarHBondContact O-N 2.92Å
633	G	85.1	Confident	92.5	Very high	89 Å²	89	57.7 Å²	57.7	92%	0.918	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.9	2	-175.9	0	0	0	0	0	115.9	Y631	Y631-G633 PolarHBondContact O-N 3.45Å
634	Q	87.3	Confident	92.4	Very high	126 Å²	126	59.6 Å²	59.6	59%	0.589	33%	0.331	S	S	*	.	S	Bend	trans	-108.1	165.1	-178.9	-57.8	-172.2	6.2	0	0	112.8	Y631 E632	Y631-Q634 WeakPolarHBondContact O-CB 3.47Å; Y631-Q634 PolarHBondContact O-N 2.83Å; E632-Q634 PolarHBondContact O-N 2.92Å
635	K	87.9	Confident	92.3	Very high	154 Å²	154	59.9 Å²	59.9	67%	0.67	33%	0.332	S	S	*	.			trans	-61.1	137.9	166.9	-171.9	-173.5	-180	-168.9	0	108.2	L637	K635-L637 PolarHBondContact O-N 2.65Å
636	P	91	Very high	92.2	Very high	42 Å²	42	61.1 Å²	61.1	27%	0.273	34%	0.34	S	S	.	.			trans	-57.2	140.6	173.2	22.3	-32.1	0	0	0	110.7	F629 K639 Q812	F629-P636 CarbonylContact O-C 3.53Å; F629-P636 WeakPolarHBondContact O-CA 3.3Å; F629-P636 WeakPolarHBondContact O-CB 3.32Å; P636-K639 HydrophobicContact CB-CG 4.49Å; P636-K639 HydrophobicContact CG-CG 4.28Å; P636-Q812 PolarHBondContact O-NE2 3.06Å
637	L	91.4	Very high	92	Very high	39 Å²	39	62 Å²	62	20%	0.204	34%	0.341	C	S	.	.	S	Bend	trans	-81.2	-39.3	174.9	-64.3	175.5	0	0	0	110.3	F629 Y631 K635 T663 Q812	F629-L637 PolarHBondContact O-N 2.77Å; Y631-L637 HydrophobicContact CD2-CD1 3.94Å; Y631-L637 HydrophobicContact CE2-CD1 3.67Å; K635-L637 PolarHBondContact O-N 2.65Å; L637-T663 HydrophobicContact CD1-CG2 4.12Å; L637-Q812 VanDerWaalsContact O-CA 3.27Å; L637-Q812 WeakPolarHBondContact O-CA 3.39Å; L637-Q812 WeakPolarHBondContact O-CB 3.36Å
638	F	94.6	Very high	91.7	Very high	0 Å²	0	67.9 Å²	67.9	0%	0	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	144.3	179.8	-57.3	-73.9	0	0	0	111.2	T628 F629 L641 T663 L664 L667 V809 Q812 V814	T628-F638 VanDerWaalsContact CA-O 3.31Å; T628-F638 WeakPolarHBondContact CA-O 3.41Å; T628-F638 WeakPolarHBondContact CG2-O 3.37Å; F629-F638 PolarHBondContact N-O 3.06Å; F629-F638 PolarHBondContact O-N 3.39Å; F629-F638 VanDerWaalsContact O-N 3.17Å; F638-L641 HydrophobicContact CB-CB 4.43Å; F638-L641 HydrophobicContact CB-CD2 4.45Å; F638-L641 HydrophobicContact CD1-CD2 3.8Å; F638-L641 HydrophobicContact CE1-CD2 4.33Å; F638-L641 HydrophobicContact CG-CD2 4.19Å; F638-T663 HydrophobicContact CE2-CG2 4.32Å; F638-L664 HydrophobicContact CE2-CB 4.2Å; F638-L664 HydrophobicContact CZ-CB 3.78Å; F638-L667 HydrophobicContact CD2-CD1 3.99Å; F638-L667 HydrophobicContact CE2-CD1 4.32Å; F638-V809 HydrophobicContact CE1-CG1 3.73Å; F638-V809 HydrophobicContact CZ-CG1 4.15Å; F638-Q812 CarbonylContact C-O 3.6Å; F638-Q812 WeakPolarHBondContact CA-O 3.05Å; F638-V814 HydrophobicContact CE1-CG2 4.23Å
639	K	94.1	Very high	91.6	Very high	109 Å²	109	67.5 Å²	67.5	47%	0.474	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	128.6	174.3	-73.6	175.2	173.9	167.2	0	110.3	V627 T628 P636 L641 Q812	V627-K639 CarbonylContact O-C 3.54Å; T628-K639 HydrophobicContact CG2-CG 4.4Å; P636-K639 HydrophobicContact CB-CG 4.49Å; P636-K639 HydrophobicContact CG-CG 4.28Å; K639-L641 PolarHBondContact O-N 2.93Å; K639-L641 VanDerWaalsContact O-N 3.13Å; K639-Q812 HydrophobicContact CD-CB 4.41Å; K639-Q812 VanDerWaalsContact CE-OE1 3.23Å; K639-Q812 HydrophobicContact CG-CB 4.43Å; K639-Q812 PolarHBondContact N-O 2.75Å
640	N	94.3	Very high	91.6	Very high	109 Å²	109	68.8 Å²	68.8	58%	0.583	38%	0.375	S	S	*	.	E	Extended strand (participates in β ladder)	trans	44.5	43.3	179.2	-158.8	91.3	0	0	0	113.2	V627 T628 D642	V627-N640 PolarHBondContact O-N 3.32Å; V627-N640 VanDerWaalsContact O-N 3.11Å; T628-N640 PolarHBondContact OG1-N 3.13Å; T628-N640 VanDerWaalsContact OG1-N 3.16Å; N640-D642 PolarHBondContact O-N 2.91Å
641	L	94.4	Very high	91.7	Very high	1 Å²	1	68 Å²	68	1%	0.005	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	116.7	179	177.7	60.3	0	0	0	109.9	L624 G626 V627 F638 K639 F643 L664 V814	L624-L641 HydrophobicContact CD1-CD2 3.87Å; L624-L641 HydrophobicContact CD1-CG 4.47Å; G626-L641 PolarHBondContact N-O 3.02Å; V627-L641 HydrophobicContact CB-CB 4.37Å; V627-L641 PolarHBondContact N-O 2.87Å; V627-L641 WeakPolarHBondContact O-CB 3.34Å; V627-L641 PolarHBondContact O-N 3.32Å; F638-L641 HydrophobicContact CB-CB 4.43Å; F638-L641 HydrophobicContact CB-CD2 4.45Å; F638-L641 HydrophobicContact CD1-CD2 3.8Å; F638-L641 HydrophobicContact CE1-CD2 4.33Å; F638-L641 HydrophobicContact CG-CD2 4.19Å; K639-L641 PolarHBondContact O-N 2.93Å; K639-L641 VanDerWaalsContact O-N 3.13Å; L641-F643 HydrophobicContact CD1-CB 4.25Å; L641-F643 HydrophobicContact CG-CB 4.32Å; L641-L664 HydrophobicContact CD2-CD1 3.7Å; L641-V814 HydrophobicContact CD1-CB 4.09Å; L641-V814 HydrophobicContact CD1-CG2 3.75Å; L641-V814 HydrophobicContact CD2-CG2 3.92Å
642	D	93.9	Very high	91.9	Very high	95 Å²	95	63.8 Å²	63.8	51%	0.508	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	121.2	164.9	-69.5	-61.1	0	0	0	108.1	L624 H625 G626 N640	L624-D642 WeakPolarHBondContact O-CA 3.13Å; H625-D642 VanDerWaalsContact CA-OD1 3.23Å; H625-D642 WeakPolarHBondContact CA-OD1 3.37Å; G626-D642 PolarHBondContact N-OD1 3.02Å; N640-D642 PolarHBondContact O-N 2.91Å
643	F	94	Very high	92.2	Very high	9 Å²	9	54.3 Å²	54.3	4%	0.039	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.8	129.3	-178.1	173.3	-90.8	0	0	0	109.2	G623 L624 L641 I645 I651 L668 W807	G623-F643 CarbonylContact C-O 3.57Å; G623-F643 WeakPolarHBondContact CA-O 3.37Å; L624-F643 HydrophobicContact CB-CB 4.49Å; L624-F643 PolarHBondContact N-O 2.75Å; L624-F643 PolarHBondContact O-N 2.88Å; L641-F643 HydrophobicContact CD1-CB 4.25Å; L641-F643 HydrophobicContact CG-CB 4.32Å; F643-I645 HydrophobicContact CE1-CG2 3.66Å; F643-I645 HydrophobicContact CZ-CG2 3.97Å; F643-I651 HydrophobicContact CE2-CD1 4.26Å; F643-I651 HydrophobicContact CZ-CD1 3.8Å; F643-I651 HydrophobicContact CZ-CG2 4.28Å; F643-L668 HydrophobicContact CD1-CD2 3.75Å; F643-L668 HydrophobicContact CE1-CD1 4.06Å; F643-L668 HydrophobicContact CE1-CD2 3.84Å; F643-W807 AromaticContact CD2-CE3 3.89Å; F643-W807 HydrophobicContact CD2-CE3 3.89Å; F643-W807 HydrophobicContact CD2-CH2 4.35Å; F643-W807 AromaticContact CD2-CZ3 3.8Å; F643-W807 HydrophobicContact CD2-CZ3 3.8Å; F643-W807 AromaticContact CE2-CD2 4Å; F643-W807 HydrophobicContact CE2-CD2 4Å; F643-W807 AromaticContact CE2-CE3 3.82Å; F643-W807 HydrophobicContact CE2-CE3 3.82Å; F643-W807 HydrophobicContact CE2-CH2 4.48Å; F643-W807 HydrophobicContact CE2-CZ3 4.08Å
644	G	92.3	Very high	92.5	Very high	45 Å²	45	50.2 Å²	50.2	46%	0.464	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	158.2	-178.5	0	0	0	0	0	111.9
645	I	93.7	Very high	92.5	Very high	6 Å²	6	44.3 Å²	44.3	3%	0.031	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	150.6	174.1	75.7	-176	0	0	0	110.6	V621 L622 F643 I651 V760 A788 I790	V621-I645 HydrophobicContact CB-CG1 4.43Å; V621-I645 HydrophobicContact CG1-CG1 4.34Å; L622-I645 HydrophobicContact CB-CD1 3.89Å; L622-I645 HydrophobicContact CB-CG1 3.97Å; L622-I645 HydrophobicContact CD2-CD1 4.24Å; L622-I645 PolarHBondContact O-N 3.37Å; F643-I645 HydrophobicContact CE1-CG2 3.66Å; F643-I645 HydrophobicContact CZ-CG2 3.97Å; I645-I651 HydrophobicContact CG2-CD1 3.76Å; I645-V760 HydrophobicContact CD1-CG1 3.78Å; I645-V760 HydrophobicContact CD1-CG2 3.99Å; I645-A788 HydrophobicContact CD1-CB 4.45Å; I645-I790 HydrophobicContact CD1-CD1 3.99Å; I645-I790 HydrophobicContact CG2-CD1 3.93Å; I645-I790 HydrophobicContact CG2-CG1 4.5Å
646	D	92.4	Very high	92.3	Very high	87 Å²	87	39.8 Å²	39.8	47%	0.465	22%	0.221	S	C	.	.			trans	-110.9	171.7	169.2	-74.4	-59.6	0	0	0	110.8	D648 S649 A788	D646-D648 VanDerWaalsContact C-N 3.27Å; D646-D648 PolarHBondContact O-N 3.16Å; D646-S649 PolarHBondContact N-OG 2.63Å; D646-S649 VanDerWaalsContact O-CB 3.32Å; D646-S649 WeakPolarHBondContact O-CB 3.49Å; D646-S649 PolarHBondContact O-N 2.64Å; D646-S649 PolarHBondContact O-OG 3.25Å; D646-A788 WeakPolarHBondContact O-CB 3.36Å
647	M	89.6	Confident	91.9	Very high	38 Å²	38	39.8 Å²	39.8	19%	0.187	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-22.4	-171.6	-75.5	-58.6	-56.8	0	0	114.6	P614 L617 V621 D759 G787 A788	P614-M647 HydrophobicContact CB-CE 4.28Å; P614-M647 HydrophobicContact CG-CE 3.74Å; L617-M647 HydrophobicContact CB-SD 4.07Å; L617-M647 HydrophobicContact CD2-SD 4.12Å; V621-M647 HydrophobicContact CG1-SD 3.79Å; V621-M647 HydrophobicContact CG2-CG 3.75Å; V621-M647 HydrophobicContact CG2-SD 3.88Å; M647-D759 HydrophobicContact CE-CB 4.22Å; M647-G787 CarbonylContact O-C 3.57Å; M647-G787 WeakPolarHBondContact O-CA 3.41Å; M647-A788 WeakPolarHBondContact O-CA 3.45Å; M647-A788 PolarHBondContact O-N 3.37Å
648	D	90.8	Very high	91.3	Very high	123 Å²	123	41.4 Å²	41.4	66%	0.658	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-94.1	-12.8	178.3	53.9	-2.4	0	0	0	113.1	D646 R650	D646-D648 VanDerWaalsContact C-N 3.27Å; D646-D648 PolarHBondContact O-N 3.16Å; D648-R650 PolarHBondContact O-N 2.88Å; D648-R650 PolarHBondContact O-NH1 2.87Å
649	S	93.1	Very high	90.9	Very high	23 Å²	23	43.3 Å²	43.3	16%	0.161	26%	0.257	C	S	.	.			trans	-54.4	128.6	-170.2	-67.6	0	0	0	0	113.2	D646 V789	D646-S649 PolarHBondContact N-OG 2.63Å; D646-S649 VanDerWaalsContact O-CB 3.32Å; D646-S649 WeakPolarHBondContact O-CB 3.49Å; D646-S649 PolarHBondContact O-N 2.64Å; D646-S649 PolarHBondContact O-OG 3.25Å; S649-V789 PolarHBondContact O-N 2.89Å
650	R	94.7	Very high	90.5	Very high	42 Å²	42	38.4 Å²	38.4	16%	0.158	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	103	172	-65.3	-62.2	-176.8	-92.2	15.4	108.4	D648 I782 Y785 G787 C804 Q805	D648-R650 PolarHBondContact O-N 2.88Å; D648-R650 PolarHBondContact O-NH1 2.87Å; R650-I782 PolarHBondContact NE-O 3.19Å; R650-I782 PolarHBondContact NH2-O 2.97Å; R650-Y785 PolarHBondContact NH2-O 3.17Å; R650-G787 PolarHBondContact NH1-O 3.29Å; R650-G787 PolarHBondContact NH2-O 3.03Å; R650-C804 WeakPolarHBondContact O-CA 2.91Å; R650-Q805 PolarHBondContact O-N 3.42Å
651	I	94.7	Very high	90.3	Very high	3 Å²	3	34 Å²	34	2%	0.015	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	120.8	-170.6	-65.2	175	0	0	0	109.8	F643 I645 I653 V789 I790 V791 W807	F643-I651 HydrophobicContact CE2-CD1 4.26Å; F643-I651 HydrophobicContact CZ-CD1 3.8Å; F643-I651 HydrophobicContact CZ-CG2 4.28Å; I645-I651 HydrophobicContact CG2-CD1 3.76Å; I651-I653 HydrophobicContact CG2-CG1 4.09Å; I651-V789 PolarHBondContact N-O 3.39Å; I651-I790 HydrophobicContact CG2-CG2 4.36Å; I651-I790 CarbonylContact O-C 3.58Å; I651-I790 WeakPolarHBondContact O-CA 2.96Å; I651-V791 PolarHBondContact O-N 2.79Å; I651-W807 HydrophobicContact CG2-CB 4.28Å; I651-W807 HydrophobicContact CG2-CG 4Å
652	C	94.3	Very high	90.1	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	120.9	167.1	-172.1	0	0	0	0	110.9	V791 I799 C804 Q805 W807	C652-V791 CarbonylContact C-O 3.49Å; C652-V791 VanDerWaalsContact CA-O 3.24Å; C652-V791 WeakPolarHBondContact CA-O 3.41Å; C652-V791 HydrophobicContact CB-CG1 4.09Å; C652-V791 PolarHBondContact SG-O 2.87Å; C652-I799 HydrophobicContact CB-CG1 4.39Å; C652-I799 HydrophobicContact CB-CG2 4.08Å; C652-C804 HydrophobicContact CB-CB 3.73Å; C652-Q805 PolarHBondContact N-O 3.12Å; C652-W807 PolarHBondContact O-N 3.39Å
653	I	93.4	Very high	90	Very high	1 Å²	1	32.4 Å²	32.4	1%	0.005	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	113.8	177.8	-67.8	165.3	0	0	0	109.2	I651 K661 L664 L665 I790 V791 V792 W807 V809	I651-I653 HydrophobicContact CG2-CG1 4.09Å; I653-K661 HydrophobicContact CG2-CB 4.26Å; I653-K661 HydrophobicContact CG2-CD 4.31Å; I653-K661 HydrophobicContact CG2-CG 4.09Å; I653-L664 HydrophobicContact CD1-CD2 3.89Å; I653-L664 HydrophobicContact CD1-CG 4.42Å; I653-L664 HydrophobicContact CG2-CD2 4.36Å; I653-L665 HydrophobicContact CD1-CD2 3.65Å; I653-I790 HydrophobicContact CD1-CG2 3.47Å; I653-I790 VanDerWaalsContact CD1-CG2 3.47Å; I653-I790 HydrophobicContact CG1-CG2 4.21Å; I653-V791 PolarHBondContact N-O 3.24Å; I653-V792 HydrophobicContact CB-CG2 3.86Å; I653-V792 HydrophobicContact CG2-CG2 4.12Å; I653-W807 CarbonylContact C-O 3.54Å; I653-W807 WeakPolarHBondContact CA-O 3.48Å; I653-V809 HydrophobicContact CG2-CG2 3.64Å
654	V	91.3	Very high	89.9	Confident	3 Å²	3	32 Å²	32	2%	0.018	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	176.6	-174.3	-57.3	0	0	0	0	112.2	L481 L806 W807 V808 V809 Y824	L481-V654 HydrophobicContact CD2-CB 4.23Å; L481-V654 HydrophobicContact CD2-CG1 3.63Å; V654-L806 HydrophobicContact CG1-CD2 4.23Å; V654-L806 HydrophobicContact CG1-CG 4.32Å; V654-L806 HydrophobicContact CG2-CB 4.47Å; V654-W807 PolarHBondContact N-O 3.06Å; V654-V808 HydrophobicContact CG2-CB 3.9Å; V654-V808 HydrophobicContact CG2-CG2 4.33Å; V654-V809 PolarHBondContact O-N 2.99Å; V654-Y824 HydrophobicContact CB-CE1 4.2Å; V654-Y824 HydrophobicContact CG2-CE1 4.07Å; V654-Y824 HydrophobicContact CG2-CE2 4.03Å
655	G	86.9	Confident	90	Very high	1 Å²	1	29.9 Å²	29.9	1%	0.01	19%	0.185	C	C	.	.	S	Bend	trans	113.6	174.6	-176.2	0	0	0	0	0	113.6	K661	G655-K661 PolarHBondContact O-NZ 3.5Å
656	P	83.4	Confident	89.9	Confident	60 Å²	60	31.4 Å²	31.4	39%	0.39	19%	0.193	S	C	.	.			trans	-69.9	164	-168.7	25.2	-32.2	0	0	0	114.3	D480 V659 K661	D480-P656 WeakPolarHBondContact OD2-CA 3.11Å; P656-V659 HydrophobicContact CG-CB 4.18Å; P656-V659 HydrophobicContact CG-CG2 4.43Å; P656-V659 WeakPolarHBondContact O-CG1 3.32Å; P656-K661 PolarHBondContact O-NZ 2.78Å
657	N	83.3	Confident	90	Very high	42 Å²	42	27.3 Å²	27.3	23%	0.225	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78	137.9	178.3	-86.7	-0	0	0	0	111.9	W453 R456 D480 V659 K661	W453-N657 HydrophobicContact CZ2-CB 4.33Å; R456-N657 PolarHBondContact NH2-ND2 3.41Å; R456-N657 VanDerWaalsContact NH2-ND2 3.16Å; D480-N657 HydrophobicContact CB-CB 4.38Å; D480-N657 WeakPolarHBondContact OD2-CB 3.5Å; D480-N657 PolarHBondContact OD2-N 2.81Å; N657-V659 VanDerWaalsContact C-N 3.35Å; N657-K661 PolarHBondContact OD1-NZ 3.33Å
658	G	78.6	Confident	90.2	Very high	72 Å²	72	25.5 Å²	25.5	74%	0.742	16%	0.162	S	C	*	.	T	Hydrogen-bonded Turn	trans	86.7	-9	-170.9	0	0	0	0	0	115.4	G660	G658-G660 VanDerWaalsContact C-N 3.27Å; G658-G660 PolarHBondContact O-N 3.34Å
659	V	86.1	Confident	90.2	Very high	41 Å²	41	20.4 Å²	20.4	25%	0.248	14%	0.135	C	C	.	.	S	Bend	trans	-68.8	-22.8	-178.9	81	0	0	0	0	114	P656 N657 K661 V809	P656-V659 HydrophobicContact CG-CB 4.18Å; P656-V659 HydrophobicContact CG-CG2 4.43Å; P656-V659 WeakPolarHBondContact O-CG1 3.32Å; N657-V659 VanDerWaalsContact C-N 3.35Å; V659-K661 HydrophobicContact CG1-CG 4Å; V659-V809 HydrophobicContact CG1-CB 3.77Å; V659-V809 HydrophobicContact CG1-CG1 3.78Å; V659-V809 HydrophobicContact CG2-CG1 4.08Å; V659-V809 WeakPolarHBondContact CG2-O 3.41Å
660	G	86	Confident	90.1	Very high	6 Å²	6	21.3 Å²	21.3	6%	0.062	15%	0.148	C	C	.	.	S	Bend	trans	125.2	9.3	177.9	0	0	0	0	0	116.3	G658 S662 T663 L664	G658-G660 VanDerWaalsContact C-N 3.27Å; G658-G660 PolarHBondContact O-N 3.34Å; G660-S662 PolarHBondContact O-N 3.08Å; G660-T663 CarbonylContact O-C 3.57Å; G660-T663 WeakPolarHBondContact O-CA 3.49Å; G660-T663 VanDerWaalsContact O-CB 3.25Å; G660-T663 WeakPolarHBondContact O-CB 3.41Å; G660-T663 PolarHBondContact O-N 3.45Å; G660-L664 PolarHBondContact O-N 3.38Å
661	K	89.9	Confident	89.9	Confident	16 Å²	16	24.6 Å²	24.6	7%	0.07	16%	0.163	C	C	.	.	H	α-helix	trans	-46.5	-59.3	-179.4	-60.2	-164.9	-65.9	-83.4	0	113.3	I653 G655 P656 N657 V659 T663 L664 L665 V792 V809	I653-K661 HydrophobicContact CG2-CB 4.26Å; I653-K661 HydrophobicContact CG2-CD 4.31Å; I653-K661 HydrophobicContact CG2-CG 4.09Å; G655-K661 PolarHBondContact O-NZ 3.5Å; P656-K661 PolarHBondContact O-NZ 2.78Å; N657-K661 PolarHBondContact OD1-NZ 3.33Å; V659-K661 HydrophobicContact CG1-CG 4Å; K661-T663 VanDerWaalsContact C-N 3.29Å; K661-T663 PolarHBondContact O-N 3.4Å; K661-L664 WeakPolarHBondContact O-CB 3.38Å; K661-L664 PolarHBondContact O-N 3.03Å; K661-L664 VanDerWaalsContact O-N 3.16Å; K661-L665 PolarHBondContact O-N 2.91Å; K661-V792 HydrophobicContact CB-CG1 4.4Å; K661-V792 HydrophobicContact CB-CG2 4.09Å; K661-V792 HydrophobicContact CD-CG1 4Å; K661-V809 HydrophobicContact CG-CG2 4.35Å
662	S	89.5	Confident	89.8	Confident	50 Å²	50	26.5 Å²	26.5	35%	0.35	17%	0.173	S	C	.	.	H	α-helix	trans	-63.6	-31.9	176.8	-47	0	0	0	0	113	G660 L664 L665 L666 D764	G660-S662 PolarHBondContact O-N 3.08Å; S662-L664 VanDerWaalsContact C-N 3.35Å; S662-L665 PolarHBondContact O-N 3.47Å; S662-L666 WeakPolarHBondContact O-CB 3.49Å; S662-L666 VanDerWaalsContact O-CG 3.25Å; S662-L666 WeakPolarHBondContact O-CG 3.15Å; S662-L666 PolarHBondContact O-N 2.81Å; S662-D764 WeakPolarHBondContact CB-OD2 3.27Å; S662-D764 PolarHBondContact OG-OD1 3.23Å; S662-D764 PolarHBondContact OG-OD2 2.98Å
663	T	91.4	Very high	89.7	Confident	13 Å²	13	32.2 Å²	32.2	8%	0.08	21%	0.208	C	C	.	.	H	α-helix	trans	-63.7	-39.2	174.5	-52.3	0	0	0	0	111.6	F629 Y631 L637 F638 G660 K661 L666 L667 L672	F629-T663 HydrophobicContact CD1-CG2 3.6Å; F629-T663 HydrophobicContact CE1-CG2 3.43Å; F629-T663 VanDerWaalsContact CE1-CG2 3.43Å; F629-T663 HydrophobicContact CZ-CG2 4.44Å; Y631-T663 HydrophobicContact CE2-CG2 4.16Å; Y631-T663 WeakPolarHBondContact OH-CG2 3.32Å; Y631-T663 PolarHBondContact OH-OG1 3.02Å; L637-T663 HydrophobicContact CD1-CG2 4.12Å; F638-T663 HydrophobicContact CE2-CG2 4.32Å; G660-T663 CarbonylContact O-C 3.57Å; G660-T663 WeakPolarHBondContact O-CA 3.49Å; G660-T663 VanDerWaalsContact O-CB 3.25Å; G660-T663 WeakPolarHBondContact O-CB 3.41Å; G660-T663 PolarHBondContact O-N 3.45Å; K661-T663 VanDerWaalsContact C-N 3.29Å; K661-T663 PolarHBondContact O-N 3.4Å; T663-L666 PolarHBondContact O-N 3.05Å; T663-L667 WeakPolarHBondContact O-CG 3.41Å; T663-L667 PolarHBondContact O-N 2.84Å; T663-L672 HydrophobicContact CG2-CD1 3.81Å
664	L	93.4	Very high	89.7	Confident	0 Å²	0	33.4 Å²	33.4	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-61.5	-46.7	172.9	179.2	57.4	0	0	0	111	L624 F638 L641 I653 G660 K661 S662 L666 L667 L668 V809 V814	L624-L664 HydrophobicContact CD1-CD1 3.53Å; F638-L664 HydrophobicContact CE2-CB 4.2Å; F638-L664 HydrophobicContact CZ-CB 3.78Å; L641-L664 HydrophobicContact CD2-CD1 3.7Å; I653-L664 HydrophobicContact CD1-CD2 3.89Å; I653-L664 HydrophobicContact CD1-CG 4.42Å; I653-L664 HydrophobicContact CG2-CD2 4.36Å; G660-L664 PolarHBondContact O-N 3.38Å; K661-L664 WeakPolarHBondContact O-CB 3.38Å; K661-L664 PolarHBondContact O-N 3.03Å; K661-L664 VanDerWaalsContact O-N 3.16Å; S662-L664 VanDerWaalsContact C-N 3.35Å; L664-L666 VanDerWaalsContact C-N 3.28Å; L664-L666 PolarHBondContact O-N 3.28Å; L664-L667 WeakPolarHBondContact O-CB 3.47Å; L664-L667 PolarHBondContact O-N 3.33Å; L664-L667 VanDerWaalsContact O-N 3.12Å; L664-L668 HydrophobicContact CD1-CD1 4.42Å; L664-L668 HydrophobicContact CD1-CG 4.42Å; L664-L668 HydrophobicContact CG-CD1 4.18Å; L664-L668 VanDerWaalsContact O-CG 3.29Å; L664-L668 WeakPolarHBondContact O-CG 3.4Å; L664-L668 PolarHBondContact O-N 3.12Å; L664-V809 HydrophobicContact CD2-CG2 4.34Å; L664-V814 HydrophobicContact CD2-CG2 3.66Å
665	L	93.6	Very high	89.8	Confident	0 Å²	0	37.6 Å²	37.6	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-61.4	-35.5	175.2	-56.6	-171	0	0	0	112.9	I653 K661 S662 L668 T669 F689 I762 D764 I790 V792	I653-L665 HydrophobicContact CD1-CD2 3.65Å; K661-L665 PolarHBondContact O-N 2.91Å; S662-L665 PolarHBondContact O-N 3.47Å; L665-L668 HydrophobicContact CD2-CD1 4.16Å; L665-L668 PolarHBondContact O-N 2.74Å; L665-T669 WeakPolarHBondContact O-CG2 3.49Å; L665-T669 PolarHBondContact O-N 3.06Å; L665-T669 PolarHBondContact O-OG1 2.86Å; L665-F689 HydrophobicContact CB-CE2 4.13Å; L665-I762 HydrophobicContact CB-CG2 3.89Å; L665-I762 HydrophobicContact CD1-CG2 3.87Å; L665-I762 HydrophobicContact CD2-CG2 3.74Å; L665-I762 HydrophobicContact CG-CG2 4.03Å; L665-D764 HydrophobicContact CD1-CB 3.64Å; L665-I790 HydrophobicContact CD2-CG2 3.87Å; L665-V792 HydrophobicContact CD1-CG2 3.84Å; L665-V792 HydrophobicContact CG-CG2 4.34Å
666	L	92.4	Very high	90.1	Very high	38 Å²	38	42.3 Å²	42.3	20%	0.199	27%	0.267	C	S	.	.	H	α-helix	trans	-71.7	-29.4	175.3	-69.4	173.3	0	0	0	113.2	S662 T663 L664 T669 G670 K671 L672 F689	S662-L666 WeakPolarHBondContact O-CB 3.49Å; S662-L666 VanDerWaalsContact O-CG 3.25Å; S662-L666 WeakPolarHBondContact O-CG 3.15Å; S662-L666 PolarHBondContact O-N 2.81Å; T663-L666 PolarHBondContact O-N 3.05Å; L664-L666 VanDerWaalsContact C-N 3.28Å; L664-L666 PolarHBondContact O-N 3.28Å; L666-T669 WeakPolarHBondContact CA-OG1 3.47Å; L666-T669 PolarHBondContact O-OG1 2.85Å; L666-T669 VanDerWaalsContact O-OG1 3.12Å; L666-G670 PolarHBondContact O-N 3.46Å; L666-K671 HydrophobicContact CB-CB 4.5Å; L666-K671 HydrophobicContact CD2-CB 3.97Å; L666-K671 HydrophobicContact CD2-CD 3.54Å; L666-K671 HydrophobicContact CD2-CG 4.4Å; L666-K671 PolarHBondContact O-N 3.33Å; L666-L672 HydrophobicContact CB-CB 4.47Å; L666-L672 HydrophobicContact CB-CD1 3.62Å; L666-L672 HydrophobicContact CB-CG 3.85Å; L666-L672 HydrophobicContact CD1-CD1 4.07Å; L666-L672 PolarHBondContact O-N 3Å; L666-F689 HydrophobicContact CD2-CZ 4.05Å
667	L	93.8	Very high	90.6	Very high	2 Å²	2	41.6 Å²	41.6	1%	0.01	27%	0.27	C	S	.	.	H	α-helix	trans	-71	-46.1	169.5	-71.5	164	0	0	0	111.1	L624 V627 F629 F638 T663 L664 T669 G670 L672 P674	L624-L667 HydrophobicContact CD2-CB 4.41Å; V627-L667 HydrophobicContact CG1-CD1 4.32Å; F629-L667 HydrophobicContact CB-CD1 3.94Å; F629-L667 HydrophobicContact CB-CD2 4.29Å; F629-L667 HydrophobicContact CD1-CD1 4.36Å; F629-L667 HydrophobicContact CD2-CD2 3.97Å; F629-L667 HydrophobicContact CG-CD1 4.11Å; F629-L667 HydrophobicContact CG-CD2 4.08Å; F638-L667 HydrophobicContact CD2-CD1 3.99Å; F638-L667 HydrophobicContact CE2-CD1 4.32Å; T663-L667 WeakPolarHBondContact O-CG 3.41Å; T663-L667 PolarHBondContact O-N 2.84Å; L664-L667 WeakPolarHBondContact O-CB 3.47Å; L664-L667 PolarHBondContact O-N 3.33Å; L664-L667 VanDerWaalsContact O-N 3.12Å; L667-T669 PolarHBondContact O-N 2.8Å; L667-G670 PolarHBondContact O-N 2.89Å; L667-L672 HydrophobicContact CD2-CB 3.92Å; L667-L672 HydrophobicContact CG-CB 4.3Å; L667-P674 HydrophobicContact CD2-CB 4.36Å
668	L	93	Very high	91.2	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-60	-44.9	178	-66.3	167.6	0	0	0	111.9	L622 L624 F643 L664 L665 G670 I762 I790	L622-L668 HydrophobicContact CD2-CB 4.09Å; L622-L668 HydrophobicContact CD2-CD2 3.44Å; L622-L668 VanDerWaalsContact CD2-CD2 3.44Å; L622-L668 HydrophobicContact CD2-CG 4.35Å; L624-L668 HydrophobicContact CD1-CD2 3.9Å; L624-L668 HydrophobicContact CD1-CG 4.38Å; L624-L668 HydrophobicContact CD2-CD2 4.05Å; L624-L668 HydrophobicContact CG-CD2 3.72Å; F643-L668 HydrophobicContact CD1-CD2 3.75Å; F643-L668 HydrophobicContact CE1-CD1 4.06Å; F643-L668 HydrophobicContact CE1-CD2 3.84Å; L664-L668 HydrophobicContact CD1-CD1 4.42Å; L664-L668 HydrophobicContact CD1-CG 4.42Å; L664-L668 HydrophobicContact CG-CD1 4.18Å; L664-L668 VanDerWaalsContact O-CG 3.29Å; L664-L668 WeakPolarHBondContact O-CG 3.4Å; L664-L668 PolarHBondContact O-N 3.12Å; L665-L668 HydrophobicContact CD2-CD1 4.16Å; L665-L668 PolarHBondContact O-N 2.74Å; L668-G670 PolarHBondContact O-N 3.49Å; L668-I762 HydrophobicContact CB-CD1 4.11Å; L668-I790 HydrophobicContact CD1-CD1 3.94Å
669	T	91.9	Very high	91.9	Very high	16 Å²	16	42.8 Å²	42.8	10%	0.098	26%	0.255	C	S	.	.	H	α-helix	trans	-64	-25.9	174.1	48.9	0	0	0	0	113.4	L665 L666 L667 K681 I687 F689 I762	L665-T669 WeakPolarHBondContact O-CG2 3.49Å; L665-T669 PolarHBondContact O-N 3.06Å; L665-T669 PolarHBondContact O-OG1 2.86Å; L666-T669 WeakPolarHBondContact CA-OG1 3.47Å; L666-T669 PolarHBondContact O-OG1 2.85Å; L666-T669 VanDerWaalsContact O-OG1 3.12Å; L667-T669 PolarHBondContact O-N 2.8Å; T669-K681 PolarHBondContact O-NZ 3.23Å; T669-I687 HydrophobicContact CG2-CG2 4.12Å; T669-F689 HydrophobicContact CG2-CB 3.98Å; T669-F689 HydrophobicContact CG2-CD2 3.46Å; T669-F689 VanDerWaalsContact CG2-CD2 3.46Å; T669-F689 HydrophobicContact CG2-CE2 4.18Å; T669-F689 HydrophobicContact CG2-CG 3.92Å; T669-I762 HydrophobicContact CG2-CD1 4.05Å
670	G	90.1	Very high	92.3	Very high	41 Å²	41	46.4 Å²	46.4	42%	0.423	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	82.3	21.6	-171.4	0	0	0	0	0	113.6	L666 L667 L668 M679	L666-G670 PolarHBondContact O-N 3.46Å; L667-G670 PolarHBondContact O-N 2.89Å; L668-G670 PolarHBondContact O-N 3.49Å; G670-M679 VanDerWaalsContact CA-CE 3.41Å
671	K	90.4	Very high	92.7	Very high	112 Å²	112	50 Å²	50	49%	0.487	28%	0.278	S	S	.	.	S	Bend	trans	-77.9	-27.4	171.5	-73.8	176	174	-179.8	0	112.1	L666	L666-K671 HydrophobicContact CB-CB 4.5Å; L666-K671 HydrophobicContact CD2-CB 3.97Å; L666-K671 HydrophobicContact CD2-CD 3.54Å; L666-K671 HydrophobicContact CD2-CG 4.4Å; L666-K671 PolarHBondContact O-N 3.33Å
672	L	92.4	Very high	92.8	Very high	43 Å²	43	50.6 Å²	50.6	23%	0.225	28%	0.282	C	S	.	.	S	Bend	trans	-109.9	138.4	168.7	-68	173.6	0	0	0	109.9	F629 T663 L666 L667	F629-L672 HydrophobicContact CE1-CD1 4.18Å; F629-L672 HydrophobicContact CE2-CB 4.33Å; F629-L672 HydrophobicContact CZ-CB 4.49Å; F629-L672 HydrophobicContact CZ-CD1 3.91Å; F629-L672 HydrophobicContact CZ-CD2 4.31Å; F629-L672 HydrophobicContact CZ-CG 4.47Å; T663-L672 HydrophobicContact CG2-CD1 3.81Å; L666-L672 HydrophobicContact CB-CB 4.47Å; L666-L672 HydrophobicContact CB-CD1 3.62Å; L666-L672 HydrophobicContact CB-CG 3.85Å; L666-L672 HydrophobicContact CD1-CD1 4.07Å; L666-L672 PolarHBondContact O-N 3Å; L667-L672 HydrophobicContact CD2-CB 3.92Å; L667-L672 HydrophobicContact CG-CB 4.3Å
673	T	92.7	Very high	92.9	Very high	120 Å²	120	57.6 Å²	57.6	74%	0.736	31%	0.309	S	S	*	.			trans	-86.9	131.4	172.1	-48.2	0	0	0	0	109.2	F629	F629-T673 WeakPolarHBondContact CD2-O 3.47Å; F629-T673 WeakPolarHBondContact CE2-O 3.08Å
674	P	94.6	Very high	92.8	Very high	26 Å²	26	66.8 Å²	66.8	17%	0.169	34%	0.342	C	S	.	.			trans	-65.1	151.5	173.3	29.6	-36.1	0	0	0	111.4	V627 L667	V627-P674 HydrophobicContact CG1-CB 3.9Å; V627-P674 HydrophobicContact CG2-CB 4.1Å; V627-P674 HydrophobicContact CG2-CG 4.46Å; L667-P674 HydrophobicContact CD2-CB 4.36Å
675	T	92.8	Very high	92.8	Very high	90 Å²	90	67.6 Å²	67.6	55%	0.552	35%	0.347	S	S	*	.	S	Bend	trans	-79.2	-37.8	178.4	-43.8	0	0	0	0	111.7	T628	T628-T675 WeakPolarHBondContact O-CA 3.13Å; T628-T675 VanDerWaalsContact O-CB 3.29Å; T628-T675 WeakPolarHBondContact O-CB 3.39Å; T628-T675 PolarHBondContact O-N 3.2Å
676	N	93.7	Very high	92.8	Very high	101 Å²	101	71 Å²	71	54%	0.54	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	161.2	165.4	-56.5	-81.3	0	0	0	108.9	V627 T628	V627-N676 WeakPolarHBondContact CA-O 3.42Å; T628-N676 PolarHBondContact N-O 2.78Å; T628-N676 PolarHBondContact O-N 3.45Å; T628-N676 VanDerWaalsContact O-N 3.12Å
677	G	93.6	Very high	92.8	Very high	44 Å²	44	70.8 Å²	70.8	45%	0.454	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	77.6	-175.1	-171.1	0	0	0	0	0	112.2	H625	H625-G677 VanDerWaalsContact O-CA 3.23Å; H625-G677 WeakPolarHBondContact O-CA 3Å
678	E	94.6	Very high	92.8	Very high	96 Å²	96	70.7 Å²	70.7	45%	0.449	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	151.3	-178.2	61.4	179.5	176.8	0	0	112.8	H625 R680	H625-E678 PolarHBondContact N-O 2.68Å; H625-E678 PolarHBondContact O-N 2.72Å; E678-R680 HydrophobicContact CG-CG 4.29Å; E678-R680 IonicContact OE1-CZ 3.62Å; E678-R680 IonicContact OE1-NE 3.44Å; E678-R680 PolarHBondContact OE1-NE 2.68Å; E678-R680 IonicContact OE1-NH2 2.74Å; E678-R680 PolarHBondContact OE1-NH2 3.33Å
679	M	94.9	Very high	92.8	Very high	43 Å²	43	71.2 Å²	71.2	21%	0.212	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	124.7	165.9	-179.9	-86.9	-74.9	0	0	108.6	G623 L624 G670 K681	G623-M679 CarbonylContact O-C 3.48Å; G623-M679 WeakPolarHBondContact O-CA 3.49Å; L624-M679 HydrophobicContact CD2-CB 3.68Å; L624-M679 HydrophobicContact CD2-CG 3.65Å; G670-M679 VanDerWaalsContact CA-CE 3.41Å; M679-K681 HydrophobicContact CE-CD 4.09Å; M679-K681 HydrophobicContact SD-CB 4.04Å; M679-K681 HydrophobicContact SD-CD 3.88Å; M679-K681 HydrophobicContact SD-CG 3.84Å
680	R	93.4	Very high	92.7	Very high	118 Å²	118	70.6 Å²	70.6	45%	0.445	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	138.3	174.2	-63.8	-179.9	-162.4	136.7	-1.8	109	L622 G623 H625 E678	L622-R680 CarbonylContact C-O 3.6Å; L622-R680 WeakPolarHBondContact CA-O 3.38Å; G623-R680 PolarHBondContact N-O 2.77Å; G623-R680 PolarHBondContact O-N 2.88Å; H625-R680 VanDerWaalsContact CD2-CD 3.46Å; H625-R680 WeakPolarHBondContact CD2-CD 3.29Å; H625-R680 PolarHBondContact CD2-NH1 2.98Å; H625-R680 PolarHBondContact NE2-NH1 3.22Å; E678-R680 HydrophobicContact CG-CG 4.29Å; E678-R680 IonicContact OE1-CZ 3.62Å; E678-R680 IonicContact OE1-NE 3.44Å; E678-R680 PolarHBondContact OE1-NE 2.68Å; E678-R680 IonicContact OE1-NH2 2.74Å; E678-R680 PolarHBondContact OE1-NH2 3.33Å
681	K	93.9	Very high	92.4	Very high	80 Å²	80	69.4 Å²	69.4	35%	0.348	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	152.7	170.2	61.2	-177.6	175.2	-174.3	0	110.6	V621 L622 T669 M679 H683 L685 I687	V621-K681 WeakPolarHBondContact O-CA 3.44Å; L622-K681 HydrophobicContact CB-CB 4.21Å; L622-K681 HydrophobicContact CD1-CB 4.18Å; L622-K681 HydrophobicContact CD1-CD 4.38Å; L622-K681 HydrophobicContact CG-CB 4.1Å; T669-K681 PolarHBondContact O-NZ 3.23Å; M679-K681 HydrophobicContact CE-CD 4.09Å; M679-K681 HydrophobicContact SD-CB 4.04Å; M679-K681 HydrophobicContact SD-CD 3.88Å; M679-K681 HydrophobicContact SD-CG 3.84Å; K681-H683 PolarHBondContact O-N 2.9Å; K681-L685 HydrophobicContact CB-CD2 4Å; K681-L685 HydrophobicContact CD-CD2 4.38Å; K681-I687 HydrophobicContact CD-CD1 4Å
682	N	93.6	Very high	91.5	Very high	29 Å²	29	68.2 Å²	68.2	16%	0.155	34%	0.338	C	S	.	.			trans	-58.2	133.1	173.4	-169.8	-46.2	0	0	0	109.7	L617 S618 V621 R684 L685	L617-N682 HydrophobicContact CD1-CB 4.41Å; L617-N682 WeakPolarHBondContact CD1-ND2 3.41Å; L617-N682 HydrophobicContact CD2-CB 4.16Å; L617-N682 HydrophobicContact CG-CB 4.41Å; S618-N682 PolarHBondContact O-ND2 2.84Å; S618-N682 PolarHBondContact OG-ND2 2.6Å; S618-N682 VanDerWaalsContact OG-ND2 3.12Å; V621-N682 PolarHBondContact O-N 2.89Å; N682-R684 PolarHBondContact O-N 3.04Å; N682-R684 PolarHBondContact OD1-N 2.96Å; N682-L685 HydrophobicContact CB-CB 4.4Å; N682-L685 WeakPolarHBondContact O-CB 3.22Å; N682-L685 PolarHBondContact O-N 3.28Å
683	H	89.8	Confident	90.5	Very high	197 Å²	197	72.2 Å²	72.2	91%	0.912	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.5	-14.4	-177.6	-64.4	-49.9	0	0	0	114.5	K681	K681-H683 PolarHBondContact O-N 2.9Å
684	R	91.3	Very high	89.2	Confident	206 Å²	206	68.4 Å²	68.4	78%	0.777	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.1	-7.5	175.4	-61.8	-176.2	-178.8	-177.8	1.3	113.9	L617 N682 K686	L617-R684 HydrophobicContact CD1-CB 4.08Å; N682-R684 PolarHBondContact O-N 3.04Å; N682-R684 PolarHBondContact OD1-N 2.96Å; R684-K686 PolarHBondContact O-N 2.88Å
685	L	93.1	Very high	87.7	Confident	18 Å²	18	67.7 Å²	67.7	9%	0.094	32%	0.324	C	S	.	.			trans	-66.4	116.4	-170.3	-167.2	80.2	0	0	0	113	L617 V621 L622 K681 N682 I687 D759 V760	L617-L685 HydrophobicContact CD2-CB 4.49Å; L617-L685 HydrophobicContact CD2-CD1 3.33Å; V621-L685 HydrophobicContact CG1-CD1 3.57Å; L622-L685 HydrophobicContact CB-CD2 3.92Å; L622-L685 HydrophobicContact CD1-CD2 3.61Å; L622-L685 HydrophobicContact CG-CD2 4.37Å; K681-L685 HydrophobicContact CB-CD2 4Å; K681-L685 HydrophobicContact CD-CD2 4.38Å; N682-L685 HydrophobicContact CB-CB 4.4Å; N682-L685 WeakPolarHBondContact O-CB 3.22Å; N682-L685 PolarHBondContact O-N 3.28Å; L685-I687 HydrophobicContact CD2-CD1 4.09Å; L685-I687 HydrophobicContact CD2-CG1 3.78Å; L685-I687 HydrophobicContact CG-CG1 4.16Å; L685-D759 WeakPolarHBondContact CA-OD2 3.41Å; L685-D759 HydrophobicContact CD1-CB 3.94Å; L685-V760 HydrophobicContact CD1-CG2 3.85Å; L685-V760 HydrophobicContact CD2-CG2 4.29Å; L685-V760 HydrophobicContact CG-CG2 4.39Å
686	K	92.6	Very high	86.4	Confident	70 Å²	70	70.1 Å²	70.1	30%	0.304	33%	0.33	S	S	.	.			trans	-88	112.7	169.3	-66.5	174.7	-76	163.2	0	109.3	R684 E757 D759 V760	R684-K686 PolarHBondContact O-N 2.88Å; K686-E757 WeakPolarHBondContact CD-O 3.21Å; K686-E757 WeakPolarHBondContact CE-O 3.27Å; K686-E757 PolarHBondContact NZ-O 3.13Å; K686-E757 IonicContact NZ-OE2 3.19Å; K686-D759 WeakPolarHBondContact CE-OD1 3.39Å; K686-D759 PolarHBondContact N-OD2 2.86Å; K686-D759 IonicContact NZ-OD1 3.53Å; K686-D759 PolarHBondContact O-N 2.89Å; K686-V760 PolarHBondContact O-N 3.48Å
687	I	93.3	Very high	85.3	Confident	34 Å²	34	71.9 Å²	71.9	17%	0.174	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	119.3	176.5	-52	173.1	0	0	0	109.4	L622 T669 K681 L685 I762	L622-I687 HydrophobicContact CD1-CD1 3.55Å; L622-I687 HydrophobicContact CD1-CG1 4.33Å; T669-I687 HydrophobicContact CG2-CG2 4.12Å; K681-I687 HydrophobicContact CD-CD1 4Å; L685-I687 HydrophobicContact CD2-CD1 4.09Å; L685-I687 HydrophobicContact CD2-CG1 3.78Å; L685-I687 HydrophobicContact CG-CG1 4.16Å; I687-I762 HydrophobicContact CG2-CD1 3.69Å; I687-I762 HydrophobicContact CG2-CG1 3.92Å
688	G	93	Very high	84.6	Confident	0 Å²	0	70.2 Å²	70.2	0%	0	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	108.6	170.3	0	0	0	0	0	110	V760 L761 I762	G688-V760 PolarHBondContact N-O 2.92Å; G688-L761 WeakPolarHBondContact O-CA 3.41Å; G688-I762 PolarHBondContact O-N 3.37Å
689	F	92.3	Very high	83.8	Confident	11 Å²	11	70.2 Å²	70.2	5%	0.048	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	121.8	-178.3	177.1	-94	0	0	0	112.1	L665 L666 T669 N691 I762	L665-F689 HydrophobicContact CB-CE2 4.13Å; L666-F689 HydrophobicContact CD2-CZ 4.05Å; T669-F689 HydrophobicContact CG2-CB 3.98Å; T669-F689 HydrophobicContact CG2-CD2 3.46Å; T669-F689 VanDerWaalsContact CG2-CD2 3.46Å; T669-F689 HydrophobicContact CG2-CE2 4.18Å; T669-F689 HydrophobicContact CG2-CG 3.92Å; F689-N691 HydrophobicContact CE1-CB 3.74Å; F689-N691 VanDerWaalsContact CE1-CG 3.49Å; F689-N691 HydrophobicContact CZ-CB 3.72Å; F689-I762 CarbonylContact C-O 3.48Å; F689-I762 WeakPolarHBondContact CA-O 3.48Å; F689-I762 HydrophobicContact CD2-CB 4.14Å; F689-I762 HydrophobicContact CD2-CG2 3.8Å; F689-I762 HydrophobicContact CE2-CG2 4.19Å
690	F	90.7	Very high	83.3	Confident	4 Å²	4	70.6 Å²	70.6	2%	0.018	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	133.6	168.3	-175	-83.8	0	0	0	109.7	A746 V749 F750 L753 I762 L763 D764 P766	F690-A746 HydrophobicContact CE2-CB 4.28Å; F690-A746 HydrophobicContact CZ-CB 4.12Å; F690-V749 HydrophobicContact CD2-CB 4.13Å; F690-V749 HydrophobicContact CD2-CG1 3.62Å; F690-V749 HydrophobicContact CE2-CB 4.08Å; F690-V749 HydrophobicContact CE2-CG1 4.07Å; F690-F750 HydrophobicContact CD2-CD1 4.29Å; F690-F750 HydrophobicContact CD2-CD2 4.41Å; F690-F750 AromaticContact CD2-CE1 3.86Å; F690-F750 HydrophobicContact CD2-CE1 3.86Å; F690-F750 AromaticContact CD2-CE2 3.98Å; F690-F750 HydrophobicContact CD2-CE2 3.98Å; F690-F750 AromaticContact CD2-CZ 3.68Å; F690-F750 HydrophobicContact CD2-CZ 3.68Å; F690-F750 HydrophobicContact CE1-CZ 4.42Å; F690-F750 AromaticContact CE2-CD2 3.91Å; F690-F750 HydrophobicContact CE2-CD2 3.91Å; F690-F750 HydrophobicContact CE2-CE1 4.15Å; F690-F750 AromaticContact CE2-CE2 3.4Å; F690-F750 HydrophobicContact CE2-CE2 3.4Å; F690-F750 HydrophobicContact CE2-CG 4.47Å; F690-F750 AromaticContact CE2-CZ 3.54Å; F690-F750 HydrophobicContact CE2-CZ 3.54Å; F690-F750 HydrophobicContact CG-CE1 4.35Å; F690-F750 HydrophobicContact CG-CZ 4.2Å; F690-F750 AromaticContact CZ-CE2 3.83Å; F690-F750 HydrophobicContact CZ-CE2 3.83Å; F690-F750 AromaticContact CZ-CZ 3.94Å; F690-F750 HydrophobicContact CZ-CZ 3.94Å; F690-L753 HydrophobicContact CB-CD1 3.85Å; F690-L753 HydrophobicContact CD2-CD1 4.14Å; F690-I762 PolarHBondContact N-O 3Å; F690-L763 HydrophobicContact CB-CD2 3.61Å; F690-L763 HydrophobicContact CG-CD2 4.47Å; F690-D764 WeakPolarHBondContact O-CB 3.4Å; F690-D764 PolarHBondContact O-N 3.4Å; F690-P766 HydrophobicContact CD1-CB 4.41Å
691	N	84.3	Confident	83	Confident	16 Å²	16	72.8 Å²	72.8	9%	0.086	33%	0.332	C	S	.	.			trans	-149.3	165	155.7	81.6	-13.2	0	0	0	111	F689 Q693 Y694 D764	F689-N691 HydrophobicContact CE1-CB 3.74Å; F689-N691 VanDerWaalsContact CE1-CG 3.49Å; F689-N691 HydrophobicContact CZ-CB 3.72Å; N691-Q693 VanDerWaalsContact C-N 3.32Å; N691-Q693 PolarHBondContact O-N 3.09Å; N691-Q693 PolarHBondContact OD1-N 3.21Å; N691-Y694 PolarHBondContact O-N 3.47Å; N691-Y694 VanDerWaalsContact O-N 3.11Å; N691-Y694 VanDerWaalsContact OD1-CB 3.25Å; N691-Y694 WeakPolarHBondContact OD1-CB 3.15Å; N691-Y694 PolarHBondContact OD1-N 2.81Å; N691-D764 HydrophobicContact CB-CB 3.6Å
692	Q	70.8	Confident	82.9	Confident	87 Å²	87	71.2 Å²	71.2	41%	0.407	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55	-42.7	-177.9	-171.2	175.3	59.5	0	0	113.2	Y694 A695 N768	Q692-Y694 VanDerWaalsContact C-N 3.33Å; Q692-Y694 PolarHBondContact O-N 3.48Å; Q692-A695 PolarHBondContact O-N 3.08Å; Q692-N768 PolarHBondContact NE2-ND2 2.9Å
693	Q	71.2	Confident	82.9	Confident	127 Å²	127	70.6 Å²	70.6	59%	0.593	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.7	-31.1	179.5	-67.7	179.5	-13.8	0	0	113.2	N691 A695 E696 Q697	N691-Q693 VanDerWaalsContact C-N 3.32Å; N691-Q693 PolarHBondContact O-N 3.09Å; N691-Q693 PolarHBondContact OD1-N 3.21Å; Q693-A695 VanDerWaalsContact C-N 3.3Å; Q693-A695 PolarHBondContact O-N 2.76Å; Q693-E696 WeakPolarHBondContact O-CA 2.88Å; Q693-E696 WeakPolarHBondContact O-CB 3.22Å; Q693-E696 PolarHBondContact O-N 2.82Å; Q693-Q697 PolarHBondContact O-N 2.89Å; Q693-Q697 VanDerWaalsContact O-N 3.17Å
694	Y	66.3	Low	83.1	Confident	39 Å²	39	61.2 Å²	61.2	15%	0.153	28%	0.28	C	S	.	.	G	3₁₀ helix	trans	-68.6	-30.3	-178.7	-169.8	-99.1	0	0	0	112.2	N691 Q692 E696 Q697 L698 V749 E752 R756	N691-Y694 PolarHBondContact O-N 3.47Å; N691-Y694 VanDerWaalsContact O-N 3.11Å; N691-Y694 VanDerWaalsContact OD1-CB 3.25Å; N691-Y694 WeakPolarHBondContact OD1-CB 3.15Å; N691-Y694 PolarHBondContact OD1-N 2.81Å; Q692-Y694 VanDerWaalsContact C-N 3.33Å; Q692-Y694 PolarHBondContact O-N 3.48Å; Y694-E696 PolarHBondContact O-N 3.23Å; Y694-Q697 PolarHBondContact O-N 2.83Å; Y694-L698 PolarHBondContact O-N 2.7Å; Y694-V749 HydrophobicContact CD1-CG1 3.77Å; Y694-V749 HydrophobicContact CD1-CG2 4.17Å; Y694-V749 HydrophobicContact CE1-CG1 4.1Å; Y694-E752 WeakPolarHBondContact CE1-OE1 3.42Å; Y694-E752 WeakPolarHBondContact CE1-OE2 3.21Å; Y694-E752 PolarHBondContact OH-OE1 3Å; Y694-R756 PolarHBondContact OH-NH1 2.9Å; Y694-R756 VanDerWaalsContact OH-NH1 3.15Å; Y694-R756 PolarHBondContact OH-NH2 2.98Å
695	A	62.6	Low	83.2	Confident	11 Å²	11	51.5 Å²	51.5	9%	0.091	24%	0.243	C	C	.	.	G	3₁₀ helix	trans	-63.9	-22.6	169.7	0	0	0	0	0	113	Q692 Q693 K745 V749	Q692-A695 PolarHBondContact O-N 3.08Å; Q693-A695 VanDerWaalsContact C-N 3.3Å; Q693-A695 PolarHBondContact O-N 2.76Å; A695-K745 HydrophobicContact CB-CB 4.17Å; A695-V749 HydrophobicContact CB-CG2 4.09Å
696	E	66.2	Low	83.2	Confident	142 Å²	142	55.4 Å²	55.4	66%	0.664	26%	0.261	S	S	*	.	G	3₁₀ helix	trans	-90.5	-12.9	173.2	-54.9	-167.4	139.2	0	0	113.3	Q693 Y694 M700	Q693-E696 WeakPolarHBondContact O-CA 2.88Å; Q693-E696 WeakPolarHBondContact O-CB 3.22Å; Q693-E696 PolarHBondContact O-N 2.82Å; Y694-E696 PolarHBondContact O-N 3.23Å; E696-M700 WeakPolarHBondContact O-CE 2.95Å
697	Q	70.1	Confident	83.2	Confident	138 Å²	138	52.7 Å²	52.7	65%	0.645	25%	0.249	S	C	*	.	S	Bend	trans	-91.5	-1.2	175.9	-69.2	-179.3	-13.3	0	0	113.9	Q693 Y694	Q693-Q697 PolarHBondContact O-N 2.89Å; Q693-Q697 VanDerWaalsContact O-N 3.17Å; Y694-Q697 PolarHBondContact O-N 2.83Å
698	L	78	Confident	83.2	Confident	8 Å²	8	51.1 Å²	51.1	4%	0.042	24%	0.241	C	C	.	.	S	Bend	trans	-58.6	153.7	172.7	-68.8	174.6	0	0	0	112.1	Y694 M700 Y707 I737 K745 V748 V749	Y694-L698 PolarHBondContact O-N 2.7Å; L698-M700 HydrophobicContact CB-CE 4.41Å; L698-M700 WeakPolarHBondContact O-CG 3.48Å; L698-M700 PolarHBondContact O-N 2.76Å; L698-Y707 HydrophobicContact CD2-CE1 3.84Å; L698-I737 HydrophobicContact CB-CD1 4.48Å; L698-I737 HydrophobicContact CB-CG2 3.82Å; L698-I737 HydrophobicContact CD1-CG2 4.01Å; L698-K745 HydrophobicContact CD1-CB 4.26Å; L698-V748 HydrophobicContact CD1-CB 4.31Å; L698-V748 HydrophobicContact CD1-CG1 4.21Å; L698-V749 HydrophobicContact CD1-CG2 4.03Å; L698-V749 HydrophobicContact CD2-CG2 4.27Å; L698-V749 HydrophobicContact CG-CG2 4.3Å
699	H	79.1	Confident	83.2	Confident	96 Å²	96	53.9 Å²	53.9	44%	0.444	25%	0.254	S	S	.	.			trans	-69.5	91.8	177.8	-75.7	-91.1	0	0	0	111.6	E701 E702 Y707 R710	H699-E701 PolarHBondContact O-N 3.11Å; H699-E701 VanDerWaalsContact O-N 3.08Å; H699-E702 HydrophobicContact CB-CG 4.34Å; H699-E702 IonicContact CG-OE2 2.8Å; H699-E702 PolarHBondContact O-N 2.85Å; H699-Y707 HydrophobicContact CB-CD2 4.42Å; H699-Y707 AromaticContact CD2-CE2 3.95Å; H699-R710 PolarHBondContact CD2-NH2 2.7Å; H699-R710 PolarHBondContact NE2-NH2 3.4Å
700	M	83.4	Confident	83.1	Confident	51 Å²	51	59.4 Å²	59.4	25%	0.251	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-25.6	-168.9	-70.6	-61.6	158.3	0	0	115.5	E696 L698 I737 C738	E696-M700 WeakPolarHBondContact O-CE 2.95Å; L698-M700 HydrophobicContact CB-CE 4.41Å; L698-M700 WeakPolarHBondContact O-CG 3.48Å; L698-M700 PolarHBondContact O-N 2.76Å; M700-I737 HydrophobicContact CE-CG2 4.46Å; M700-I737 PolarHBondContact O-N 3.17Å; M700-I737 HydrophobicContact SD-CG2 3.91Å; M700-C738 HydrophobicContact CB-CB 4.02Å; M700-C738 VanDerWaalsContact O-CB 3.24Å; M700-C738 WeakPolarHBondContact O-CB 3.44Å; M700-C738 PolarHBondContact O-N 2.89Å; M700-C738 PolarHBondContact O-SG 2.85Å; M700-C738 HydrophobicContact SD-CB 4.49Å
701	E	88.5	Confident	83	Confident	165 Å²	165	61.6 Å²	61.6	77%	0.771	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.3	-24	-176.4	-60.6	-175.5	165.6	0	0	114	H699 Q736	H699-E701 PolarHBondContact O-N 3.11Å; H699-E701 VanDerWaalsContact O-N 3.08Å; E701-Q736 WeakPolarHBondContact O-CG 3.41Å; E701-Q736 PolarHBondContact O-NE2 3.3Å
702	E	90.9	Very high	83.3	Confident	46 Å²	46	63.4 Å²	63.4	22%	0.215	30%	0.298	C	S	.	.	S	Bend	trans	-83.6	160.8	-178	-61.6	-177.2	149.6	0	0	111.4	H699 R710 Q736 I737	H699-E702 HydrophobicContact CB-CG 4.34Å; H699-E702 IonicContact CG-OE2 2.8Å; H699-E702 PolarHBondContact O-N 2.85Å; E702-R710 VanDerWaalsContact OE1-CD 3.31Å; E702-R710 WeakPolarHBondContact OE1-CD 3.31Å; E702-R710 IonicContact OE1-CZ 3.22Å; E702-R710 IonicContact OE1-NE 2.98Å; E702-R710 IonicContact OE1-NH1 2.77Å; E702-R710 PolarHBondContact OE1-NH1 3.21Å; E702-R710 IonicContact OE2-CZ 3.39Å; E702-R710 IonicContact OE2-NE 3.57Å; E702-R710 IonicContact OE2-NH1 2.69Å; E702-R710 PolarHBondContact OE2-NH1 3.38Å; E702-R710 IonicContact OE2-NH2 2.73Å; E702-Q736 WeakPolarHBondContact O-CA 3.38Å; E702-I737 WeakPolarHBondContact O-CG1 3.37Å; E702-I737 PolarHBondContact O-N 2.81Å
703	T	93.9	Very high	84.3	Confident	16 Å²	16	66.7 Å²	66.7	10%	0.098	32%	0.318	C	S	.	.			trans	-83.7	154.8	166.7	69.2	0	0	0	0	111.3	T705 E706 Y707	T703-T705 PolarHBondContact O-N 3.06Å; T703-T705 VanDerWaalsContact O-N 3.13Å; T703-E706 VanDerWaalsContact CB-OE2 3.25Å; T703-E706 WeakPolarHBondContact CB-OE2 3.11Å; T703-E706 VanDerWaalsContact CG2-OE2 3.27Å; T703-E706 WeakPolarHBondContact CG2-OE2 3.48Å; T703-E706 PolarHBondContact N-OE2 3.08Å; T703-E706 PolarHBondContact O-N 3.22Å; T703-E706 VanDerWaalsContact O-N 3.16Å; T703-E706 WeakPolarHBondContact OG1-CG 3.33Å; T703-E706 PolarHBondContact OG1-N 2.86Å; T703-E706 PolarHBondContact OG1-OE2 3.15Å; T703-Y707 WeakPolarHBondContact O-CB 3.43Å; T703-Y707 PolarHBondContact O-N 3.14Å
704	P	93.8	Very high	85.2	Confident	0 Å²	0	63 Å²	63	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-54.1	-32.4	175.6	-30.2	36.2	0	0	0	114.6	L708 L723 L728 I735 I737 L740 V748	P704-L708 PolarHBondContact O-N 3.26Å; P704-L723 HydrophobicContact CB-CD1 3.76Å; P704-L723 HydrophobicContact CB-CD2 3.86Å; P704-L723 HydrophobicContact CB-CG 4.48Å; P704-L728 HydrophobicContact CB-CD2 4.04Å; P704-L728 HydrophobicContact CG-CD2 4.04Å; P704-I735 WeakPolarHBondContact CD-O 3.14Å; P704-I737 HydrophobicContact CG-CG1 3.97Å; P704-L740 HydrophobicContact CG-CD1 3.58Å; P704-V748 HydrophobicContact CB-CG1 4.34Å; P704-V748 HydrophobicContact CB-CG2 3.77Å; P704-V748 HydrophobicContact CG-CG2 3.82Å
705	T	94	Very high	86.5	Confident	2 Å²	2	64.6 Å²	64.6	1%	0.012	32%	0.317	C	S	.	.	H	α-helix	trans	-69.1	-51.8	178.2	-48.5	0	0	0	0	110	T703 Y707 L708 Q709 Y716 A719 R720 H733	T703-T705 PolarHBondContact O-N 3.06Å; T703-T705 VanDerWaalsContact O-N 3.13Å; T705-Y707 VanDerWaalsContact C-N 3.29Å; T705-Y707 PolarHBondContact O-N 3.36Å; T705-L708 PolarHBondContact O-N 2.79Å; T705-Q709 VanDerWaalsContact O-CG 3.29Å; T705-Q709 WeakPolarHBondContact O-CG 3.28Å; T705-Q709 PolarHBondContact O-N 3.25Å; T705-Y716 HydrophobicContact CG2-CD2 3.59Å; T705-Y716 HydrophobicContact CG2-CE2 3.7Å; T705-Y716 HydrophobicContact CG2-CG 4.36Å; T705-A719 HydrophobicContact CG2-CB 3.93Å; T705-R720 HydrophobicContact CG2-CG 3.76Å; T705-H733 PolarHBondContact OG1-O 3.06Å
706	E	93	Very high	87.9	Confident	100 Å²	100	69 Å²	69	47%	0.467	33%	0.332	S	S	.	.	H	α-helix	trans	-59.9	-40.6	178.3	-68.4	155.9	153	0	0	111.4	T703 L708 Q709 R710	T703-E706 VanDerWaalsContact CB-OE2 3.25Å; T703-E706 WeakPolarHBondContact CB-OE2 3.11Å; T703-E706 VanDerWaalsContact CG2-OE2 3.27Å; T703-E706 WeakPolarHBondContact CG2-OE2 3.48Å; T703-E706 PolarHBondContact N-OE2 3.08Å; T703-E706 PolarHBondContact O-N 3.22Å; T703-E706 VanDerWaalsContact O-N 3.16Å; T703-E706 WeakPolarHBondContact OG1-CG 3.33Å; T703-E706 PolarHBondContact OG1-N 2.86Å; T703-E706 PolarHBondContact OG1-OE2 3.15Å; E706-L708 PolarHBondContact O-N 3.47Å; E706-Q709 PolarHBondContact O-N 3.42Å; E706-R710 WeakPolarHBondContact O-CB 3.44Å; E706-R710 PolarHBondContact O-N 2.74Å
707	Y	92.7	Very high	89.1	Confident	14 Å²	14	69 Å²	69	6%	0.055	33%	0.332	C	S	.	.	H	α-helix	trans	-57.8	-47.9	177.2	175.4	-108.6	0	0	0	112.9	L698 H699 T703 T705 S711 I737 V748 E752	L698-Y707 HydrophobicContact CD2-CE1 3.84Å; H699-Y707 HydrophobicContact CB-CD2 4.42Å; H699-Y707 AromaticContact CD2-CE2 3.95Å; T703-Y707 WeakPolarHBondContact O-CB 3.43Å; T703-Y707 PolarHBondContact O-N 3.14Å; T705-Y707 VanDerWaalsContact C-N 3.29Å; T705-Y707 PolarHBondContact O-N 3.36Å; Y707-S711 VanDerWaalsContact O-CB 3.24Å; Y707-S711 WeakPolarHBondContact O-CB 3.36Å; Y707-S711 PolarHBondContact O-N 2.93Å; Y707-S711 PolarHBondContact O-OG 2.76Å; Y707-I737 HydrophobicContact CG-CD1 4.23Å; Y707-V748 HydrophobicContact CD1-CG1 4.07Å; Y707-V748 HydrophobicContact CE1-CG1 4.43Å; Y707-E752 HydrophobicContact CE1-CB 4.31Å; Y707-E752 HydrophobicContact CE1-CG 4.09Å; Y707-E752 PolarHBondContact OH-OE1 3.45Å; Y707-E752 PolarHBondContact OH-OE2 3.18Å
708	L	91.9	Very high	90.1	Very high	0 Å²	0	65.2 Å²	65.2	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-69.6	-38.7	176.5	-68.7	-177	0	0	0	112	P704 T705 E706 F712 A719 C722 L723 A751 E752	P704-L708 PolarHBondContact O-N 3.26Å; T705-L708 PolarHBondContact O-N 2.79Å; E706-L708 PolarHBondContact O-N 3.47Å; L708-F712 HydrophobicContact CD2-CD2 3.98Å; L708-F712 HydrophobicContact CD2-CE2 3.79Å; L708-F712 PolarHBondContact O-N 3.23Å; L708-A719 HydrophobicContact CB-CB 4.17Å; L708-C722 HydrophobicContact CD1-CB 4.5Å; L708-L723 HydrophobicContact CD1-CD1 4.28Å; L708-L723 HydrophobicContact CD1-CD2 3.77Å; L708-L723 HydrophobicContact CD1-CG 3.74Å; L708-A751 HydrophobicContact CD1-CB 4.18Å; L708-E752 HydrophobicContact CD2-CB 4.19Å
709	Q	92.8	Very high	90.8	Very high	59 Å²	59	64.9 Å²	64.9	28%	0.276	32%	0.315	S	S	.	.	H	α-helix	trans	-62.4	-43.1	175.6	-70.1	-164.7	-98.7	0	0	112.1	T705 E706 N713 L714 A719	T705-Q709 VanDerWaalsContact O-CG 3.29Å; T705-Q709 WeakPolarHBondContact O-CG 3.28Å; T705-Q709 PolarHBondContact O-N 3.25Å; E706-Q709 PolarHBondContact O-N 3.42Å; Q709-N713 WeakPolarHBondContact O-CA 3.41Å; Q709-N713 PolarHBondContact O-N 2.84Å; Q709-L714 VanDerWaalsContact CG-O 3.32Å; Q709-L714 WeakPolarHBondContact CG-O 3.48Å; Q709-L714 PolarHBondContact NE2-O 3.02Å; Q709-A719 HydrophobicContact CG-CB 3.96Å
710	R	91.1	Very high	91.3	Very high	126 Å²	126	63.4 Å²	63.4	48%	0.475	31%	0.305	S	S	.	.	H	α-helix	trans	-70.9	-40.2	-179	-168	-165.3	74	167.3	7.4	111.8	H699 E702 E706	H699-R710 PolarHBondContact CD2-NH2 2.7Å; H699-R710 PolarHBondContact NE2-NH2 3.4Å; E702-R710 VanDerWaalsContact OE1-CD 3.31Å; E702-R710 WeakPolarHBondContact OE1-CD 3.31Å; E702-R710 IonicContact OE1-CZ 3.22Å; E702-R710 IonicContact OE1-NE 2.98Å; E702-R710 IonicContact OE1-NH1 2.77Å; E702-R710 PolarHBondContact OE1-NH1 3.21Å; E702-R710 IonicContact OE2-CZ 3.39Å; E702-R710 IonicContact OE2-NE 3.57Å; E702-R710 IonicContact OE2-NH1 2.69Å; E702-R710 PolarHBondContact OE2-NH1 3.38Å; E702-R710 IonicContact OE2-NH2 2.73Å; E706-R710 WeakPolarHBondContact O-CB 3.44Å; E706-R710 PolarHBondContact O-N 2.74Å
711	S	88.8	Confident	91.7	Very high	51 Å²	51	67.1 Å²	67.1	36%	0.357	32%	0.32	S	S	.	.	H	α-helix	trans	-80.5	-29.4	-174.9	-54.2	0	0	0	0	113.7	Y707	Y707-S711 VanDerWaalsContact O-CB 3.24Å; Y707-S711 WeakPolarHBondContact O-CB 3.36Å; Y707-S711 PolarHBondContact O-N 2.93Å; Y707-S711 PolarHBondContact O-OG 2.76Å
712	F	89.5	Confident	91.7	Very high	54 Å²	54	60.2 Å²	60.2	24%	0.237	29%	0.289	C	S	.	.	H	α-helix	trans	-124.2	5.7	-174.8	-56.4	-76	0	0	0	114.3	L708 L714 E752 C755 R756	L708-F712 HydrophobicContact CD2-CD2 3.98Å; L708-F712 HydrophobicContact CD2-CE2 3.79Å; L708-F712 PolarHBondContact O-N 3.23Å; F712-L714 HydrophobicContact CB-CD1 3.82Å; F712-L714 HydrophobicContact CB-CG 3.78Å; F712-L714 PolarHBondContact O-N 3.11Å; F712-E752 HydrophobicContact CE2-CB 4.36Å; F712-E752 HydrophobicContact CE2-CG 3.85Å; F712-E752 HydrophobicContact CZ-CG 3.73Å; F712-E752 WeakPolarHBondContact CZ-O 3.32Å; F712-C755 HydrophobicContact CD1-CB 3.9Å; F712-C755 VanDerWaalsContact CD1-O 3.28Å; F712-C755 WeakPolarHBondContact CD1-O 3.23Å; F712-C755 HydrophobicContact CD2-CB 3.62Å; F712-C755 HydrophobicContact CE1-CB 3.96Å; F712-C755 WeakPolarHBondContact CE1-O 3.4Å; F712-C755 HydrophobicContact CE2-CB 3.7Å; F712-C755 HydrophobicContact CG-CB 3.74Å; F712-C755 HydrophobicContact CZ-CB 3.87Å; F712-R756 HydrophobicContact CE1-CG 3.62Å; F712-R756 HydrophobicContact CZ-CG 3.8Å
713	N	92.3	Very high	91.8	Very high	155 Å²	155	58 Å²	58	83%	0.829	28%	0.279	S	S	*	.			trans	54.3	31	-175.7	-162.8	31.7	0	0	0	114	Q709	Q709-N713 WeakPolarHBondContact O-CA 3.41Å; Q709-N713 PolarHBondContact O-N 2.84Å
714	L	90.5	Very high	91.5	Very high	49 Å²	49	58.7 Å²	58.7	26%	0.257	29%	0.29	S	S	.	.			trans	-76.5	148.8	-175	-72.9	169.2	0	0	0	112.7	Q709 F712 C755	Q709-L714 VanDerWaalsContact CG-O 3.32Å; Q709-L714 WeakPolarHBondContact CG-O 3.48Å; Q709-L714 PolarHBondContact NE2-O 3.02Å; F712-L714 HydrophobicContact CB-CD1 3.82Å; F712-L714 HydrophobicContact CB-CG 3.78Å; F712-L714 PolarHBondContact O-N 3.11Å; L714-C755 HydrophobicContact CD1-CB 4.37Å; L714-C755 VanDerWaalsContact CD1-SG 3.59Å
715	P	94.4	Very high	91.3	Very high	73 Å²	73	63.8 Å²	63.8	47%	0.474	31%	0.309	S	S	.	.			trans	-62.9	143.2	166.7	-20.1	32.6	0	0	0	111.7	Q717 D718 A719	P715-Q717 PolarHBondContact O-N 3.32Å; P715-Q717 VanDerWaalsContact O-N 3.1Å; P715-D718 WeakPolarHBondContact CB-OD2 3.46Å; P715-D718 WeakPolarHBondContact CG-OD2 3.23Å; P715-D718 PolarHBondContact O-N 2.79Å; P715-A719 PolarHBondContact O-N 2.78Å
716	Y	91.2	Very high	91	Very high	105 Å²	105	63.8 Å²	63.8	41%	0.412	31%	0.309	S	S	.	.	H	α-helix	trans	-51.2	-37.1	178.8	177.3	-92.1	0	0	0	113.5	T705 R720	T705-Y716 HydrophobicContact CG2-CD2 3.59Å; T705-Y716 HydrophobicContact CG2-CE2 3.7Å; T705-Y716 HydrophobicContact CG2-CG 4.36Å; Y716-R720 HydrophobicContact CE1-CG 4.43Å; Y716-R720 WeakPolarHBondContact O-CG 3.33Å; Y716-R720 PolarHBondContact O-N 2.89Å; Y716-R720 PolarHBondContact OH-NH1 3.42Å
717	Q	91.5	Very high	90.7	Very high	141 Å²	141	59 Å²	59	66%	0.659	29%	0.286	S	S	*	.	H	α-helix	trans	-66.2	-43.3	178	-63.8	-171.6	7.9	0	0	111.8	P715 R720 K721	P715-Q717 PolarHBondContact O-N 3.32Å; P715-Q717 VanDerWaalsContact O-N 3.1Å; Q717-R720 PolarHBondContact O-N 2.87Å; Q717-K721 WeakPolarHBondContact O-CG 3.31Å; Q717-K721 PolarHBondContact O-N 2.93Å
718	D	90.9	Very high	90.5	Very high	59 Å²	59	58.5 Å²	58.5	32%	0.316	29%	0.285	S	S	.	.	H	α-helix	trans	-78.7	-34.2	-174.8	-57.4	-54.7	0	0	0	111.8	P715 R720 K721 C722	P715-D718 WeakPolarHBondContact CB-OD2 3.46Å; P715-D718 WeakPolarHBondContact CG-OD2 3.23Å; P715-D718 PolarHBondContact O-N 2.79Å; D718-R720 VanDerWaalsContact C-N 3.33Å; D718-R720 PolarHBondContact O-N 3.06Å; D718-K721 PolarHBondContact O-N 2.82Å; D718-K721 WeakPolarHBondContact OD1-CD 3.48Å; D718-K721 WeakPolarHBondContact OD1-CE 3.43Å; D718-K721 IonicContact OD1-NZ 3.41Å; D718-K721 PolarHBondContact OD1-NZ 3.2Å; D718-C722 WeakPolarHBondContact O-CB 3.38Å; D718-C722 PolarHBondContact O-N 3.48Å
719	A	92.1	Very high	90.1	Very high	0 Å²	0	61 Å²	61	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-56	-45.5	165.5	0	0	0	0	0	111.5	T705 L708 Q709 P715 C722 L723	T705-A719 HydrophobicContact CG2-CB 3.93Å; L708-A719 HydrophobicContact CB-CB 4.17Å; Q709-A719 HydrophobicContact CG-CB 3.96Å; P715-A719 PolarHBondContact O-N 2.78Å; A719-C722 PolarHBondContact O-N 3.29Å; A719-L723 VanDerWaalsContact O-CG 3.3Å; A719-L723 WeakPolarHBondContact O-CG 3.42Å; A719-L723 PolarHBondContact O-N 2.76Å
720	R	91	Very high	89.9	Confident	66 Å²	66	61.6 Å²	61.6	25%	0.249	31%	0.307	C	S	.	.	H	α-helix	trans	-70.7	-31.3	175.2	-68	-170	77.3	169.5	4.7	113.7	T705 Y716 Q717 D718 G724 S730 H733	T705-R720 HydrophobicContact CG2-CG 3.76Å; Y716-R720 HydrophobicContact CE1-CG 4.43Å; Y716-R720 WeakPolarHBondContact O-CG 3.33Å; Y716-R720 PolarHBondContact O-N 2.89Å; Y716-R720 PolarHBondContact OH-NH1 3.42Å; Q717-R720 PolarHBondContact O-N 2.87Å; D718-R720 VanDerWaalsContact C-N 3.33Å; D718-R720 PolarHBondContact O-N 3.06Å; R720-G724 PolarHBondContact O-N 2.8Å; R720-S730 PolarHBondContact NH2-O 3.37Å; R720-S730 PolarHBondContact NH2-OG 3.1Å; R720-S730 VanDerWaalsContact NH2-OG 3.08Å; R720-H733 VanDerWaalsContact C-NE2 3.32Å; R720-H733 WeakPolarHBondContact CA-CE1 3.49Å; R720-H733 WeakPolarHBondContact CB-CE1 3.46Å; R720-H733 WeakPolarHBondContact CD-CE1 3.5Å; R720-H733 HydrophobicContact CG-CB 4.47Å; R720-H733 WeakPolarHBondContact CG-CE1 3.43Å; R720-H733 WeakPolarHBondContact CG-ND1 3.17Å; R720-H733 PolarHBondContact NE-CE1 3Å; R720-H733 PolarHBondContact NE-ND1 3.16Å; R720-H733 PolarHBondContact O-NE2 3.39Å
721	K	90.2	Very high	89.7	Confident	128 Å²	128	60.4 Å²	60.4	56%	0.557	31%	0.306	S	S	*	.	H	α-helix	trans	-63.6	-45.6	171.1	-70.9	170.7	-160.7	164.3	0	110.9	Q717 D718 G724 R725	Q717-K721 WeakPolarHBondContact O-CG 3.31Å; Q717-K721 PolarHBondContact O-N 2.93Å; D718-K721 PolarHBondContact O-N 2.82Å; D718-K721 WeakPolarHBondContact OD1-CD 3.48Å; D718-K721 WeakPolarHBondContact OD1-CE 3.43Å; D718-K721 IonicContact OD1-NZ 3.41Å; D718-K721 PolarHBondContact OD1-NZ 3.2Å; K721-G724 PolarHBondContact O-N 3.45Å; K721-R725 VanDerWaalsContact O-CB 3.31Å; K721-R725 WeakPolarHBondContact O-CB 3.35Å; K721-R725 PolarHBondContact O-N 2.92Å
722	C	90.1	Very high	89.7	Confident	20 Å²	20	58 Å²	58	14%	0.135	29%	0.289	C	S	.	.	H	α-helix	trans	-60	-54.4	178.1	-168.4	0	0	0	0	111	L708 D718 A719 G724 R725 F726	L708-C722 HydrophobicContact CD1-CB 4.5Å; D718-C722 WeakPolarHBondContact O-CB 3.38Å; D718-C722 PolarHBondContact O-N 3.48Å; A719-C722 PolarHBondContact O-N 3.29Å; C722-G724 VanDerWaalsContact C-N 3.3Å; C722-G724 PolarHBondContact O-N 3.22Å; C722-R725 WeakPolarHBondContact O-CB 3.13Å; C722-R725 PolarHBondContact O-N 3.46Å; C722-R725 VanDerWaalsContact O-N 3.1Å; C722-F726 WeakPolarHBondContact O-CD2 3.37Å; C722-F726 PolarHBondContact O-N 2.88Å
723	L	91.3	Very high	89.9	Confident	0 Å²	0	55.9 Å²	55.9	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-56.4	-42	177.6	-68	168	0	0	0	112.8	P704 L708 A719 F726 G727 L728 V748 A751	P704-L723 HydrophobicContact CB-CD1 3.76Å; P704-L723 HydrophobicContact CB-CD2 3.86Å; P704-L723 HydrophobicContact CB-CG 4.48Å; L708-L723 HydrophobicContact CD1-CD1 4.28Å; L708-L723 HydrophobicContact CD1-CD2 3.77Å; L708-L723 HydrophobicContact CD1-CG 3.74Å; A719-L723 VanDerWaalsContact O-CG 3.3Å; A719-L723 WeakPolarHBondContact O-CG 3.42Å; A719-L723 PolarHBondContact O-N 2.76Å; L723-F726 CarbonylContact O-C 3.59Å; L723-F726 PolarHBondContact O-N 3.31Å; L723-G727 PolarHBondContact O-N 2.75Å; L723-L728 HydrophobicContact CB-CB 4.27Å; L723-L728 HydrophobicContact CB-CD2 4.24Å; L723-L728 HydrophobicContact CD1-CD2 4.47Å; L723-L728 HydrophobicContact CD2-CD2 3.94Å; L723-L728 HydrophobicContact CG-CD2 4.44Å; L723-L728 VanDerWaalsContact O-CB 3.29Å; L723-L728 WeakPolarHBondContact O-CB 3.29Å; L723-L728 PolarHBondContact O-N 3.15Å; L723-V748 HydrophobicContact CD2-CG2 4.15Å; L723-A751 HydrophobicContact CD2-CB 4.13Å
724	G	88.8	Confident	89.8	Confident	31 Å²	31	52.4 Å²	52.4	32%	0.32	27%	0.265	S	S	.	.	H	α-helix	trans	-67.6	-37.5	177.1	0	0	0	0	0	113.4	R720 K721 C722 G727 H733	R720-G724 PolarHBondContact O-N 2.8Å; K721-G724 PolarHBondContact O-N 3.45Å; C722-G724 VanDerWaalsContact C-N 3.3Å; C722-G724 PolarHBondContact O-N 3.22Å; G724-G727 PolarHBondContact O-N 3Å; G724-H733 WeakPolarHBondContact CA-NE2 3.46Å; G724-H733 PolarHBondContact N-NE2 3.45Å
725	R	88.5	Confident	89.9	Confident	106 Å²	106	52.8 Å²	52.8	40%	0.4	27%	0.267	S	S	.	.	H	α-helix	trans	-62.4	-42.3	174.5	174.4	178.2	-169	161.5	15	111.8	R608 T610 K721 C722 G727	R608-R725 HydrophobicContact CB-CG 4.47Å; R608-R725 PolarHBondContact N-O 2.57Å; R608-R725 WeakPolarHBondContact O-CD 3.4Å; R608-R725 WeakPolarHBondContact O-CG 3.47Å; R608-R725 PolarHBondContact O-NE 2.93Å; T610-R725 PolarHBondContact OG1-NH2 2.62Å; K721-R725 VanDerWaalsContact O-CB 3.31Å; K721-R725 WeakPolarHBondContact O-CB 3.35Å; K721-R725 PolarHBondContact O-N 2.92Å; C722-R725 WeakPolarHBondContact O-CB 3.13Å; C722-R725 PolarHBondContact O-N 3.46Å; C722-R725 VanDerWaalsContact O-N 3.1Å; R725-G727 PolarHBondContact O-N 3.13Å
726	F	88.6	Confident	89.8	Confident	2 Å²	2	52.8 Å²	52.8	1%	0.009	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.1	15.6	171.8	-74.9	-81.3	0	0	0	113.4	F609 F611 C722 L723 L728 R747 F750 A751 A754	F609-F726 HydrophobicContact CB-CD1 4.18Å; F609-F726 HydrophobicContact CB-CE1 3.72Å; F609-F726 HydrophobicContact CD1-CB 4.44Å; F609-F726 AromaticContact CD1-CD1 3.37Å; F609-F726 HydrophobicContact CD1-CD1 3.37Å; F609-F726 AromaticContact CD1-CE1 3.86Å; F609-F726 HydrophobicContact CD1-CE1 3.86Å; F609-F726 HydrophobicContact CD1-CG 4.23Å; F609-F726 AromaticContact CD2-CD1 3.88Å; F609-F726 HydrophobicContact CD2-CD1 3.88Å; F609-F726 AromaticContact CD2-CE1 3.85Å; F609-F726 HydrophobicContact CD2-CE1 3.85Å; F609-F726 HydrophobicContact CE1-CB 4.2Å; F609-F726 AromaticContact CE1-CD1 3.63Å; F609-F726 HydrophobicContact CE1-CD1 3.63Å; F609-F726 HydrophobicContact CE1-CE1 4.47Å; F609-F726 HydrophobicContact CE1-CG 4.37Å; F609-F726 HydrophobicContact CE2-CD1 4.11Å; F609-F726 HydrophobicContact CE2-CE1 4.47Å; F609-F726 AromaticContact CG-CD1 3.51Å; F609-F726 HydrophobicContact CG-CD1 3.51Å; F609-F726 AromaticContact CG-CE1 3.51Å; F609-F726 HydrophobicContact CG-CE1 3.51Å; F609-F726 AromaticContact CZ-CD1 4Å; F609-F726 HydrophobicContact CZ-CD1 4Å; F611-F726 HydrophobicContact CE1-CE1 4.18Å; F611-F726 HydrophobicContact CE1-CZ 4.22Å; F611-F726 HydrophobicContact CZ-CE1 4.37Å; C722-F726 WeakPolarHBondContact O-CD2 3.37Å; C722-F726 PolarHBondContact O-N 2.88Å; L723-F726 CarbonylContact O-C 3.59Å; L723-F726 PolarHBondContact O-N 3.31Å; F726-L728 VanDerWaalsContact C-N 3.34Å; F726-L728 PolarHBondContact O-N 2.77Å; F726-R747 WeakPolarHBondContact O-CD 3.25Å; F726-R747 WeakPolarHBondContact O-CG 3.5Å; F726-F750 HydrophobicContact CD1-CB 3.58Å; F726-F750 HydrophobicContact CE1-CB 3.84Å; F726-F750 HydrophobicContact CG-CB 4.41Å; F726-A751 HydrophobicContact CB-CB 4.28Å; F726-A751 HydrophobicContact CD2-CB 3.79Å; F726-A751 HydrophobicContact CG-CB 4.12Å; F726-A754 HydrophobicContact CE2-CB 3.57Å; F726-A754 HydrophobicContact CZ-CB 3.55Å
727	G	85.8	Confident	89.8	Confident	0 Å²	0	47.8 Å²	47.8	0%	0	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	75.9	12.4	170.2	0	0	0	0	0	115.7	L723 G724 R725 R747	L723-G727 PolarHBondContact O-N 2.75Å; G724-G727 PolarHBondContact O-N 3Å; R725-G727 PolarHBondContact O-N 3.13Å; G727-R747 PolarHBondContact O-NH1 2.93Å
728	L	88.4	Confident	89.7	Confident	4 Å²	4	43.9 Å²	43.9	2%	0.021	23%	0.228	C	C	.	.			trans	-71.4	132.8	172.3	-168.3	65.4	0	0	0	109.4	P704 L723 F726 S730 A732 Q744 V748	P704-L728 HydrophobicContact CB-CD2 4.04Å; P704-L728 HydrophobicContact CG-CD2 4.04Å; L723-L728 HydrophobicContact CB-CB 4.27Å; L723-L728 HydrophobicContact CB-CD2 4.24Å; L723-L728 HydrophobicContact CD1-CD2 4.47Å; L723-L728 HydrophobicContact CD2-CD2 3.94Å; L723-L728 HydrophobicContact CG-CD2 4.44Å; L723-L728 VanDerWaalsContact O-CB 3.29Å; L723-L728 WeakPolarHBondContact O-CB 3.29Å; L723-L728 PolarHBondContact O-N 3.15Å; F726-L728 VanDerWaalsContact C-N 3.34Å; F726-L728 PolarHBondContact O-N 2.77Å; L728-S730 PolarHBondContact O-N 3.01Å; L728-A732 HydrophobicContact CD1-CB 3.87Å; L728-A732 HydrophobicContact CD2-CB 4.44Å; L728-A732 HydrophobicContact CG-CB 4.02Å; L728-Q744 HydrophobicContact CD1-CB 3.91Å; L728-Q744 HydrophobicContact CD1-CG 3.92Å; L728-V748 HydrophobicContact CD2-CG2 4.1Å
729	E	85.2	Confident	89.6	Confident	53 Å²	53	47.9 Å²	47.9	25%	0.248	24%	0.243	C	C	.	.			trans	-65.1	136.3	178.1	-66.9	-138.2	-140	0	0	110.8	Y605 H731 A732 H733	Y605-E729 HydrophobicContact CE1-CG 4.33Å; Y605-E729 WeakPolarHBondContact OH-CB 3.39Å; Y605-E729 WeakPolarHBondContact OH-CG 3.49Å; Y605-E729 PolarHBondContact OH-OE2 3.11Å; E729-H731 VanDerWaalsContact CB-ND1 3.32Å; E729-H731 WeakPolarHBondContact CB-ND1 3.49Å; E729-H731 VanDerWaalsContact CD-CE1 3.48Å; E729-H731 PolarHBondContact O-N 3.13Å; E729-H731 IonicContact OE1-CE1 3.04Å; E729-H731 IonicContact OE2-CE1 3.28Å; E729-H731 IonicContact OE2-ND1 2.95Å; E729-H731 PolarHBondContact OE2-ND1 3.13Å; E729-A732 WeakPolarHBondContact O-CA 3.21Å; E729-A732 WeakPolarHBondContact O-CB 3.25Å; E729-A732 PolarHBondContact O-N 3.47Å; E729-H733 PolarHBondContact O-CD2 3.33Å; E729-H733 PolarHBondContact O-N 2.84Å
730	S	88.1	Confident	89.4	Confident	70 Å²	70	48.3 Å²	48.3	49%	0.49	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.9	-23.9	-178.6	-174.5	0	0	0	0	114.7	R720 L728	R720-S730 PolarHBondContact NH2-O 3.37Å; R720-S730 PolarHBondContact NH2-OG 3.1Å; R720-S730 VanDerWaalsContact NH2-OG 3.08Å; L728-S730 PolarHBondContact O-N 3.01Å
731	H	87.2	Confident	89	Confident	101 Å²	101	47.8 Å²	47.8	47%	0.468	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.8	-28.7	174.5	80.1	-98.9	0	0	0	113.6	E729 T734	E729-H731 VanDerWaalsContact CB-ND1 3.32Å; E729-H731 WeakPolarHBondContact CB-ND1 3.49Å; E729-H731 VanDerWaalsContact CD-CE1 3.48Å; E729-H731 PolarHBondContact O-N 3.13Å; E729-H731 IonicContact OE1-CE1 3.04Å; E729-H731 IonicContact OE2-CE1 3.28Å; E729-H731 IonicContact OE2-ND1 2.95Å; E729-H731 PolarHBondContact OE2-ND1 3.13Å; H731-T734 PolarHBondContact O-OG1 2.89Å
732	A	89.2	Confident	88.6	Confident	0 Å²	0	43.5 Å²	43.5	0%	0	24%	0.244	C	C	.	.	G	3₁₀ helix	trans	-82.1	-15.3	178.9	0	0	0	0	0	113.1	L728 E729 T734 I735 L740	L728-A732 HydrophobicContact CD1-CB 3.87Å; L728-A732 HydrophobicContact CD2-CB 4.44Å; L728-A732 HydrophobicContact CG-CB 4.02Å; E729-A732 WeakPolarHBondContact O-CA 3.21Å; E729-A732 WeakPolarHBondContact O-CB 3.25Å; E729-A732 PolarHBondContact O-N 3.47Å; A732-T734 PolarHBondContact O-N 2.84Å; A732-T734 VanDerWaalsContact O-N 3.09Å; A732-I735 PolarHBondContact O-N 3.11Å; A732-I735 VanDerWaalsContact O-N 3.09Å; A732-L740 HydrophobicContact CB-CD2 3.97Å
733	H	91.9	Very high	88.3	Confident	11 Å²	11	43 Å²	43	5%	0.051	24%	0.242	C	C	.	.	G	3₁₀ helix	trans	-58.9	-22.9	176	-67.6	-155	0	0	0	113	T705 R720 G724 E729	T705-H733 PolarHBondContact OG1-O 3.06Å; R720-H733 VanDerWaalsContact C-NE2 3.32Å; R720-H733 WeakPolarHBondContact CA-CE1 3.49Å; R720-H733 WeakPolarHBondContact CB-CE1 3.46Å; R720-H733 WeakPolarHBondContact CD-CE1 3.5Å; R720-H733 HydrophobicContact CG-CB 4.47Å; R720-H733 WeakPolarHBondContact CG-CE1 3.43Å; R720-H733 WeakPolarHBondContact CG-ND1 3.17Å; R720-H733 PolarHBondContact NE-CE1 3Å; R720-H733 PolarHBondContact NE-ND1 3.16Å; R720-H733 PolarHBondContact O-NE2 3.39Å; G724-H733 WeakPolarHBondContact CA-NE2 3.46Å; G724-H733 PolarHBondContact N-NE2 3.45Å; E729-H733 PolarHBondContact O-CD2 3.33Å; E729-H733 PolarHBondContact O-N 2.84Å
734	T	92.1	Very high	88.1	Confident	82 Å²	82	45 Å²	45	50%	0.503	25%	0.251	S	S	.	.	G	3₁₀ helix	trans	-117.3	14.5	-179.6	55.8	0	0	0	0	112.7	H731 A732	H731-T734 PolarHBondContact O-OG1 2.89Å; A732-T734 PolarHBondContact O-N 2.84Å; A732-T734 VanDerWaalsContact O-N 3.09Å
735	I	92.2	Very high	88.2	Confident	57 Å²	57	45.1 Å²	45.1	29%	0.292	24%	0.243	S	C	.	.	S	Bend	trans	-95.6	138.9	170.3	-68.3	177.9	0	0	0	107.6	P704 A732 K739 L740	P704-I735 WeakPolarHBondContact CD-O 3.14Å; A732-I735 PolarHBondContact O-N 3.11Å; A732-I735 VanDerWaalsContact O-N 3.09Å; I735-K739 HydrophobicContact CG2-CB 3.73Å; I735-L740 HydrophobicContact CB-CD2 4.07Å; I735-L740 HydrophobicContact CG2-CD2 3.87Å
736	Q	92.6	Very high	88.2	Confident	72 Å²	72	40.2 Å²	40.2	34%	0.336	23%	0.225	S	C	.	.			trans	-62.6	141.8	177.3	-60.2	176.8	-77.6	0	0	111	E701 E702 C738 K739	E701-Q736 WeakPolarHBondContact O-CG 3.41Å; E701-Q736 PolarHBondContact O-NE2 3.3Å; E702-Q736 WeakPolarHBondContact O-CA 3.38Å; Q736-C738 PolarHBondContact O-N 2.76Å; Q736-C738 VanDerWaalsContact O-N 3.1Å; Q736-K739 PolarHBondContact O-N 3.06Å
737	I	90.8	Very high	88.2	Confident	0 Å²	0	41.6 Å²	41.6	0%	0	23%	0.23	C	C	.	.	G	3₁₀ helix	trans	-57.8	-30.9	-174.1	-67.8	169.2	0	0	0	112.3	L698 M700 E702 P704 Y707 K739 L740 K745	L698-I737 HydrophobicContact CB-CD1 4.48Å; L698-I737 HydrophobicContact CB-CG2 3.82Å; L698-I737 HydrophobicContact CD1-CG2 4.01Å; M700-I737 HydrophobicContact CE-CG2 4.46Å; M700-I737 PolarHBondContact O-N 3.17Å; M700-I737 HydrophobicContact SD-CG2 3.91Å; E702-I737 WeakPolarHBondContact O-CG1 3.37Å; E702-I737 PolarHBondContact O-N 2.81Å; P704-I737 HydrophobicContact CG-CG1 3.97Å; Y707-I737 HydrophobicContact CG-CD1 4.23Å; I737-K739 PolarHBondContact O-N 3.47Å; I737-L740 HydrophobicContact CB-CD1 4.49Å; I737-L740 HydrophobicContact CG1-CD1 4.21Å; I737-L740 PolarHBondContact O-N 3.04Å; I737-K745 HydrophobicContact CG2-CG 4.37Å; I737-K745 WeakPolarHBondContact O-CE 3.17Å
738	C	89.4	Confident	88.5	Confident	60 Å²	60	41.6 Å²	41.6	41%	0.405	23%	0.23	S	C	.	.	G	3₁₀ helix	trans	-54.9	-31.4	173.5	62.2	0	0	0	0	114.7	M700 Q736	M700-C738 HydrophobicContact CB-CB 4.02Å; M700-C738 VanDerWaalsContact O-CB 3.24Å; M700-C738 WeakPolarHBondContact O-CB 3.44Å; M700-C738 PolarHBondContact O-N 2.89Å; M700-C738 PolarHBondContact O-SG 2.85Å; M700-C738 HydrophobicContact SD-CB 4.49Å; Q736-C738 PolarHBondContact O-N 2.76Å; Q736-C738 VanDerWaalsContact O-N 3.1Å
739	K	88.4	Confident	88.6	Confident	142 Å²	142	41.4 Å²	41.4	62%	0.617	23%	0.229	S	C	*	.	G	3₁₀ helix	trans	-97.8	1.2	-175.2	-71.9	155.4	-174.6	164.1	0	113.3	I735 Q736 I737	I735-K739 HydrophobicContact CG2-CB 3.73Å; Q736-K739 PolarHBondContact O-N 3.06Å; I737-K739 PolarHBondContact O-N 3.47Å
740	L	86.8	Confident	88.9	Confident	9 Å²	9	38.9 Å²	38.9	5%	0.047	22%	0.217	C	C	.	.	S	Bend	trans	-82.9	146.1	176.5	-62.2	-178.2	0	0	0	111.3	P704 A732 I735 I737 Q744 K745 V748	P704-L740 HydrophobicContact CG-CD1 3.58Å; A732-L740 HydrophobicContact CB-CD2 3.97Å; I735-L740 HydrophobicContact CB-CD2 4.07Å; I735-L740 HydrophobicContact CG2-CD2 3.87Å; I737-L740 HydrophobicContact CB-CD1 4.49Å; I737-L740 HydrophobicContact CG1-CD1 4.21Å; I737-L740 PolarHBondContact O-N 3.04Å; L740-Q744 HydrophobicContact CB-CB 3.87Å; L740-Q744 HydrophobicContact CD2-CB 4.34Å; L740-Q744 HydrophobicContact CG-CB 4.47Å; L740-K745 HydrophobicContact CB-CG 4Å; L740-K745 WeakPolarHBondContact O-CE 3.44Å; L740-V748 HydrophobicContact CD1-CG2 4.35Å
741	S	83.3	Confident	89.1	Confident	56 Å²	56	35.5 Å²	35.5	39%	0.392	19%	0.194	S	C	.	.			trans	-70.2	162.3	171.9	70.2	0	0	0	0	111.8	G743 Q744 K745	S741-G743 VanDerWaalsContact C-N 3.32Å; S741-G743 PolarHBondContact O-N 2.91Å; S741-Q744 WeakPolarHBondContact O-CA 3.14Å; S741-Q744 WeakPolarHBondContact O-CB 3.41Å; S741-Q744 PolarHBondContact O-N 3.12Å; S741-Q744 WeakPolarHBondContact OG-CG 3.4Å; S741-Q744 PolarHBondContact OG-N 3.34Å; S741-K745 PolarHBondContact O-N 2.96Å
742	G	82.4	Confident	89.3	Confident	37 Å²	37	30.7 Å²	30.7	38%	0.381	17%	0.172	S	C	.	.	H	α-helix	trans	-51.3	-47.6	178.6	0	0	0	0	0	113.3	Q744 K745 A746	G742-Q744 VanDerWaalsContact C-N 3.34Å; G742-Q744 PolarHBondContact O-N 2.87Å; G742-K745 WeakPolarHBondContact O-CB 3.48Å; G742-K745 PolarHBondContact O-N 3.38Å; G742-K745 VanDerWaalsContact O-N 3.15Å; G742-A746 PolarHBondContact O-N 2.99Å
743	G	83.7	Confident	89.4	Confident	9 Å²	9	30.7 Å²	30.7	9%	0.093	17%	0.172	C	C	.	.	H	α-helix	trans	-65	-31.4	176	0	0	0	0	0	114.5	S741 R747 N769	S741-G743 VanDerWaalsContact C-N 3.32Å; S741-G743 PolarHBondContact O-N 2.91Å; G743-R747 WeakPolarHBondContact O-CG 3.48Å; G743-R747 PolarHBondContact O-N 3.33Å; G743-R747 VanDerWaalsContact O-N 3.15Å; G743-N769 WeakPolarHBondContact CA-O 3.39Å
744	Q	87.8	Confident	89.4	Confident	43 Å²	43	30.8 Å²	30.8	20%	0.201	17%	0.174	C	C	.	.	H	α-helix	trans	-70.1	-40	171.8	-73.3	175.2	-33.4	0	0	111.3	L728 L740 S741 G742 R747 V748	L728-Q744 HydrophobicContact CD1-CB 3.91Å; L728-Q744 HydrophobicContact CD1-CG 3.92Å; L740-Q744 HydrophobicContact CB-CB 3.87Å; L740-Q744 HydrophobicContact CD2-CB 4.34Å; L740-Q744 HydrophobicContact CG-CB 4.47Å; S741-Q744 WeakPolarHBondContact O-CA 3.14Å; S741-Q744 WeakPolarHBondContact O-CB 3.41Å; S741-Q744 PolarHBondContact O-N 3.12Å; S741-Q744 WeakPolarHBondContact OG-CG 3.4Å; S741-Q744 PolarHBondContact OG-N 3.34Å; G742-Q744 VanDerWaalsContact C-N 3.34Å; G742-Q744 PolarHBondContact O-N 2.87Å; Q744-R747 PolarHBondContact O-N 2.82Å; Q744-V748 WeakPolarHBondContact O-CG2 3.19Å; Q744-V748 PolarHBondContact O-N 3.16Å
745	K	89.1	Confident	89.4	Confident	34 Å²	34	28.4 Å²	28.4	15%	0.148	16%	0.16	C	C	.	.	H	α-helix	trans	-63.6	-44.1	173.6	-65.3	178.8	180	-179.6	0	111.4	A695 L698 I737 L740 S741 G742 R747 V748 V749	A695-K745 HydrophobicContact CB-CB 4.17Å; L698-K745 HydrophobicContact CD1-CB 4.26Å; I737-K745 HydrophobicContact CG2-CG 4.37Å; I737-K745 WeakPolarHBondContact O-CE 3.17Å; L740-K745 HydrophobicContact CB-CG 4Å; L740-K745 WeakPolarHBondContact O-CE 3.44Å; S741-K745 PolarHBondContact O-N 2.96Å; G742-K745 WeakPolarHBondContact O-CB 3.48Å; G742-K745 PolarHBondContact O-N 3.38Å; G742-K745 VanDerWaalsContact O-N 3.15Å; K745-R747 VanDerWaalsContact C-N 3.34Å; K745-R747 PolarHBondContact O-N 3.19Å; K745-V748 WeakPolarHBondContact O-CA 3.42Å; K745-V748 WeakPolarHBondContact O-CB 3.31Å; K745-V748 PolarHBondContact O-N 3.25Å; K745-V749 PolarHBondContact O-N 3.42Å
746	A	89	Confident	89.3	Confident	3 Å²	3	30.1 Å²	30.1	3%	0.025	16%	0.163	C	C	.	.	H	α-helix	trans	-55.9	-45.5	175.1	0	0	0	0	0	112	F690 G742 V748 V749 F750 L770	F690-A746 HydrophobicContact CE2-CB 4.28Å; F690-A746 HydrophobicContact CZ-CB 4.12Å; G742-A746 PolarHBondContact O-N 2.99Å; A746-V748 VanDerWaalsContact C-N 3.29Å; A746-V748 PolarHBondContact O-N 3.3Å; A746-V749 PolarHBondContact O-N 3.21Å; A746-V749 VanDerWaalsContact O-N 3.09Å; A746-F750 WeakPolarHBondContact O-CD2 3.42Å; A746-F750 PolarHBondContact O-N 2.85Å; A746-L770 HydrophobicContact CB-CD2 4.36Å
747	R	89.1	Confident	89.2	Confident	30 Å²	30	32.2 Å²	32.2	11%	0.113	17%	0.173	C	C	.	.	H	α-helix	trans	-60.6	-33.3	174.2	-72.9	176.1	176.3	163.4	18.1	113.6	F609 F726 G727 G743 Q744 K745 A751 D771 S774	F609-R747 HydrophobicContact CZ-CG 4.48Å; F726-R747 WeakPolarHBondContact O-CD 3.25Å; F726-R747 WeakPolarHBondContact O-CG 3.5Å; G727-R747 PolarHBondContact O-NH1 2.93Å; G743-R747 WeakPolarHBondContact O-CG 3.48Å; G743-R747 PolarHBondContact O-N 3.33Å; G743-R747 VanDerWaalsContact O-N 3.15Å; Q744-R747 PolarHBondContact O-N 2.82Å; K745-R747 VanDerWaalsContact C-N 3.34Å; K745-R747 PolarHBondContact O-N 3.19Å; R747-A751 WeakPolarHBondContact O-CB 3.47Å; R747-A751 PolarHBondContact O-N 2.67Å; R747-D771 IonicContact CZ-OD2 2.88Å; R747-D771 IonicContact NH2-OD1 2.76Å; R747-D771 PolarHBondContact NH2-OD1 3.03Å; R747-D771 IonicContact NH2-OD2 3.82Å; R747-D771 PolarHBondContact NH2-OD2 2.88Å; R747-S774 PolarHBondContact NE-OG 2.84Å; R747-S774 PolarHBondContact NH2-OG 3.29Å
748	V	91.1	Very high	89.4	Confident	0 Å²	0	32.2 Å²	32.2	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-68.5	-40.2	172.9	177.9	0	0	0	0	111.2	L698 P704 Y707 L723 L728 L740 Q744 K745 A746 A751 E752	L698-V748 HydrophobicContact CD1-CB 4.31Å; L698-V748 HydrophobicContact CD1-CG1 4.21Å; P704-V748 HydrophobicContact CB-CG1 4.34Å; P704-V748 HydrophobicContact CB-CG2 3.77Å; P704-V748 HydrophobicContact CG-CG2 3.82Å; Y707-V748 HydrophobicContact CD1-CG1 4.07Å; Y707-V748 HydrophobicContact CE1-CG1 4.43Å; L723-V748 HydrophobicContact CD2-CG2 4.15Å; L728-V748 HydrophobicContact CD2-CG2 4.1Å; L740-V748 HydrophobicContact CD1-CG2 4.35Å; Q744-V748 WeakPolarHBondContact O-CG2 3.19Å; Q744-V748 PolarHBondContact O-N 3.16Å; K745-V748 WeakPolarHBondContact O-CA 3.42Å; K745-V748 WeakPolarHBondContact O-CB 3.31Å; K745-V748 PolarHBondContact O-N 3.25Å; A746-V748 VanDerWaalsContact C-N 3.29Å; A746-V748 PolarHBondContact O-N 3.3Å; V748-A751 PolarHBondContact O-N 2.81Å; V748-E752 WeakPolarHBondContact O-CB 3.37Å; V748-E752 PolarHBondContact O-N 2.92Å
749	V	91.2	Very high	89.6	Confident	0 Å²	0	29.5 Å²	29.5	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-65.1	-41.2	174.2	-177.8	0	0	0	0	111.4	F690 Y694 A695 L698 K745 A746 A751 E752 L753	F690-V749 HydrophobicContact CD2-CB 4.13Å; F690-V749 HydrophobicContact CD2-CG1 3.62Å; F690-V749 HydrophobicContact CE2-CB 4.08Å; F690-V749 HydrophobicContact CE2-CG1 4.07Å; Y694-V749 HydrophobicContact CD1-CG1 3.77Å; Y694-V749 HydrophobicContact CD1-CG2 4.17Å; Y694-V749 HydrophobicContact CE1-CG1 4.1Å; A695-V749 HydrophobicContact CB-CG2 4.09Å; L698-V749 HydrophobicContact CD1-CG2 4.03Å; L698-V749 HydrophobicContact CD2-CG2 4.27Å; L698-V749 HydrophobicContact CG-CG2 4.3Å; K745-V749 PolarHBondContact O-N 3.42Å; A746-V749 PolarHBondContact O-N 3.21Å; A746-V749 VanDerWaalsContact O-N 3.09Å; V749-A751 VanDerWaalsContact C-N 3.34Å; V749-A751 PolarHBondContact O-N 2.92Å; V749-E752 WeakPolarHBondContact O-CB 3.29Å; V749-E752 PolarHBondContact O-N 3.09Å; V749-L753 HydrophobicContact CG1-CD1 3.99Å; V749-L753 HydrophobicContact CG1-CG 4.3Å; V749-L753 WeakPolarHBondContact O-CB 3.47Å; V749-L753 VanDerWaalsContact O-CG 3.24Å; V749-L753 WeakPolarHBondContact O-CG 3.46Å; V749-L753 PolarHBondContact O-N 3.1Å
750	F	91.8	Very high	89.9	Confident	0 Å²	0	22.8 Å²	22.8	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-64.1	-37.9	175.2	-74.1	-66.5	0	0	0	112.7	F609 F611 F690 F726 A746 L753 A754 L763 P766 L770 L778	F609-F750 HydrophobicContact CD2-CB 4.47Å; F609-F750 HydrophobicContact CD2-CD1 4.46Å; F609-F750 HydrophobicContact CD2-CG 4.29Å; F609-F750 HydrophobicContact CE2-CB 4.03Å; F609-F750 HydrophobicContact CE2-CD1 4.16Å; F609-F750 AromaticContact CE2-CD2 3.63Å; F609-F750 HydrophobicContact CE2-CD2 3.63Å; F609-F750 HydrophobicContact CE2-CE2 4.11Å; F609-F750 AromaticContact CE2-CG 3.68Å; F609-F750 HydrophobicContact CE2-CG 3.68Å; F609-F750 HydrophobicContact CZ-CB 4.42Å; F609-F750 HydrophobicContact CZ-CD2 4.08Å; F609-F750 HydrophobicContact CZ-CG 4.35Å; F611-F750 HydrophobicContact CZ-CD1 4.15Å; F690-F750 HydrophobicContact CD2-CD1 4.29Å; F690-F750 HydrophobicContact CD2-CD2 4.41Å; F690-F750 AromaticContact CD2-CE1 3.86Å; F690-F750 HydrophobicContact CD2-CE1 3.86Å; F690-F750 AromaticContact CD2-CE2 3.98Å; F690-F750 HydrophobicContact CD2-CE2 3.98Å; F690-F750 AromaticContact CD2-CZ 3.68Å; F690-F750 HydrophobicContact CD2-CZ 3.68Å; F690-F750 HydrophobicContact CE1-CZ 4.42Å; F690-F750 AromaticContact CE2-CD2 3.91Å; F690-F750 HydrophobicContact CE2-CD2 3.91Å; F690-F750 HydrophobicContact CE2-CE1 4.15Å; F690-F750 AromaticContact CE2-CE2 3.4Å; F690-F750 HydrophobicContact CE2-CE2 3.4Å; F690-F750 HydrophobicContact CE2-CG 4.47Å; F690-F750 AromaticContact CE2-CZ 3.54Å; F690-F750 HydrophobicContact CE2-CZ 3.54Å; F690-F750 HydrophobicContact CG-CE1 4.35Å; F690-F750 HydrophobicContact CG-CZ 4.2Å; F690-F750 AromaticContact CZ-CE2 3.83Å; F690-F750 HydrophobicContact CZ-CE2 3.83Å; F690-F750 AromaticContact CZ-CZ 3.94Å; F690-F750 HydrophobicContact CZ-CZ 3.94Å; F726-F750 HydrophobicContact CD1-CB 3.58Å; F726-F750 HydrophobicContact CE1-CB 3.84Å; F726-F750 HydrophobicContact CG-CB 4.41Å; A746-F750 WeakPolarHBondContact O-CD2 3.42Å; A746-F750 PolarHBondContact O-N 2.85Å; F750-L753 HydrophobicContact CD1-CD1 4.39Å; F750-L753 PolarHBondContact O-N 3.27Å; F750-A754 PolarHBondContact O-N 3.15Å; F750-L763 HydrophobicContact CE1-CD2 4.27Å; F750-P766 HydrophobicContact CE1-CB 4.48Å; F750-P766 HydrophobicContact CZ-CB 3.87Å; F750-L770 HydrophobicContact CD2-CD2 4.47Å; F750-L770 HydrophobicContact CE2-CD1 4.06Å; F750-L770 HydrophobicContact CE2-CD2 4.11Å; F750-L770 HydrophobicContact CE2-CG 4.44Å; F750-L778 HydrophobicContact CE1-CD1 4.24Å; F750-L778 HydrophobicContact CZ-CD2 4.36Å
751	A	91.8	Very high	90.3	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-64.7	-41.9	172.1	0	0	0	0	0	112.5	L708 L723 F726 R747 V748 V749 L753 A754 C755	L708-A751 HydrophobicContact CD1-CB 4.18Å; L723-A751 HydrophobicContact CD2-CB 4.13Å; F726-A751 HydrophobicContact CB-CB 4.28Å; F726-A751 HydrophobicContact CD2-CB 3.79Å; F726-A751 HydrophobicContact CG-CB 4.12Å; R747-A751 WeakPolarHBondContact O-CB 3.47Å; R747-A751 PolarHBondContact O-N 2.67Å; V748-A751 PolarHBondContact O-N 2.81Å; V749-A751 VanDerWaalsContact C-N 3.34Å; V749-A751 PolarHBondContact O-N 2.92Å; A751-L753 VanDerWaalsContact C-N 3.35Å; A751-A754 PolarHBondContact O-N 3.38Å; A751-C755 PolarHBondContact O-N 2.85Å; A751-C755 PolarHBondContact O-SG 2.86Å
752	E	91.4	Very high	90.8	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-60.7	-41.9	173	-179	-161.3	159.5	0	0	111.9	Y694 Y707 L708 F712 V748 V749 C755 R756	Y694-E752 WeakPolarHBondContact CE1-OE1 3.42Å; Y694-E752 WeakPolarHBondContact CE1-OE2 3.21Å; Y694-E752 PolarHBondContact OH-OE1 3Å; Y707-E752 HydrophobicContact CE1-CB 4.31Å; Y707-E752 HydrophobicContact CE1-CG 4.09Å; Y707-E752 PolarHBondContact OH-OE1 3.45Å; Y707-E752 PolarHBondContact OH-OE2 3.18Å; L708-E752 HydrophobicContact CD2-CB 4.19Å; F712-E752 HydrophobicContact CE2-CB 4.36Å; F712-E752 HydrophobicContact CE2-CG 3.85Å; F712-E752 HydrophobicContact CZ-CG 3.73Å; F712-E752 WeakPolarHBondContact CZ-O 3.32Å; V748-E752 WeakPolarHBondContact O-CB 3.37Å; V748-E752 PolarHBondContact O-N 2.92Å; V749-E752 WeakPolarHBondContact O-CB 3.29Å; V749-E752 PolarHBondContact O-N 3.09Å; E752-C755 CarbonylContact O-C 3.53Å; E752-C755 PolarHBondContact O-N 3.15Å; E752-R756 WeakPolarHBondContact O-CG 3.29Å; E752-R756 PolarHBondContact O-N 3.34Å; E752-R756 VanDerWaalsContact O-N 3.07Å; E752-R756 IonicContact OE1-CZ 3.68Å; E752-R756 IonicContact OE1-NE 3.18Å; E752-R756 IonicContact OE1-NH1 2.87Å; E752-R756 PolarHBondContact OE1-NH1 3.39Å; E752-R756 IonicContact OE1-NH2 2.79Å; E752-R756 PolarHBondContact OE1-NH2 3.47Å
753	L	91.6	Very high	91.4	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-65.7	-41.6	177.3	-72	168.7	0	0	0	111.8	F690 V749 F750 A751 C755 R756 P758	F690-L753 HydrophobicContact CB-CD1 3.85Å; F690-L753 HydrophobicContact CD2-CD1 4.14Å; V749-L753 HydrophobicContact CG1-CD1 3.99Å; V749-L753 HydrophobicContact CG1-CG 4.3Å; V749-L753 WeakPolarHBondContact O-CB 3.47Å; V749-L753 VanDerWaalsContact O-CG 3.24Å; V749-L753 WeakPolarHBondContact O-CG 3.46Å; V749-L753 PolarHBondContact O-N 3.1Å; F750-L753 HydrophobicContact CD1-CD1 4.39Å; F750-L753 PolarHBondContact O-N 3.27Å; A751-L753 VanDerWaalsContact C-N 3.35Å; L753-C755 VanDerWaalsContact C-N 3.33Å; L753-C755 PolarHBondContact O-N 3.36Å; L753-R756 WeakPolarHBondContact O-CB 3.12Å; L753-R756 PolarHBondContact O-N 3.42Å; L753-R756 VanDerWaalsContact O-N 3.15Å; L753-P758 WeakPolarHBondContact O-CD 3.4Å
754	A	92.1	Very high	91.7	Very high	12 Å²	12	18.1 Å²	18.1	10%	0.099	9%	0.085	C	C	.	.	H	α-helix	trans	-62.6	-40.1	172.5	0	0	0	0	0	112.3	F611 F726 F750 A751 R756 E757	F611-A754 HydrophobicContact CD1-CB 4.04Å; F611-A754 HydrophobicContact CE1-CB 4.48Å; F726-A754 HydrophobicContact CE2-CB 3.57Å; F726-A754 HydrophobicContact CZ-CB 3.55Å; F750-A754 PolarHBondContact O-N 3.15Å; A751-A754 PolarHBondContact O-N 3.38Å; A754-R756 PolarHBondContact O-N 3.21Å; A754-E757 PolarHBondContact O-N 3.28Å
755	C	91.3	Very high	91.7	Very high	32 Å²	32	17.6 Å²	17.6	22%	0.216	8%	0.083	C	C	.	.	H	α-helix	trans	-69.5	-11.5	175.2	-66.3	0	0	0	0	114.6	F712 L714 A751 E752 L753	F712-C755 HydrophobicContact CD1-CB 3.9Å; F712-C755 VanDerWaalsContact CD1-O 3.28Å; F712-C755 WeakPolarHBondContact CD1-O 3.23Å; F712-C755 HydrophobicContact CD2-CB 3.62Å; F712-C755 HydrophobicContact CE1-CB 3.96Å; F712-C755 WeakPolarHBondContact CE1-O 3.4Å; F712-C755 HydrophobicContact CE2-CB 3.7Å; F712-C755 HydrophobicContact CG-CB 3.74Å; F712-C755 HydrophobicContact CZ-CB 3.87Å; L714-C755 HydrophobicContact CD1-CB 4.37Å; L714-C755 VanDerWaalsContact CD1-SG 3.59Å; A751-C755 PolarHBondContact O-N 2.85Å; A751-C755 PolarHBondContact O-SG 2.86Å; E752-C755 CarbonylContact O-C 3.53Å; E752-C755 PolarHBondContact O-N 3.15Å; L753-C755 VanDerWaalsContact C-N 3.33Å; L753-C755 PolarHBondContact O-N 3.36Å
756	R	90.2	Very high	91.7	Very high	94 Å²	94	16 Å²	16	36%	0.355	8%	0.076	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.1	-13.4	172.6	-79.9	176.1	166.3	153.2	2.8	114.3	Y694 F712 E752 L753 A754	Y694-R756 PolarHBondContact OH-NH1 2.9Å; Y694-R756 VanDerWaalsContact OH-NH1 3.15Å; Y694-R756 PolarHBondContact OH-NH2 2.98Å; F712-R756 HydrophobicContact CE1-CG 3.62Å; F712-R756 HydrophobicContact CZ-CG 3.8Å; E752-R756 WeakPolarHBondContact O-CG 3.29Å; E752-R756 PolarHBondContact O-N 3.34Å; E752-R756 VanDerWaalsContact O-N 3.07Å; E752-R756 IonicContact OE1-CZ 3.68Å; E752-R756 IonicContact OE1-NE 3.18Å; E752-R756 IonicContact OE1-NH1 2.87Å; E752-R756 PolarHBondContact OE1-NH1 3.39Å; E752-R756 IonicContact OE1-NH2 2.79Å; E752-R756 PolarHBondContact OE1-NH2 3.47Å; L753-R756 WeakPolarHBondContact O-CB 3.12Å; L753-R756 PolarHBondContact O-N 3.42Å; L753-R756 VanDerWaalsContact O-N 3.15Å; A754-R756 PolarHBondContact O-N 3.21Å
757	E	90.9	Very high	91.6	Very high	115 Å²	115	16.2 Å²	16.2	54%	0.537	8%	0.077	S	C	.	.			trans	47.7	58.5	-173	-55.4	175.3	167.1	0	0	112.6	P612 K686 A754	P612-E757 HydrophobicContact CG-CB 4.17Å; P612-E757 HydrophobicContact CG-CG 3.86Å; K686-E757 WeakPolarHBondContact CD-O 3.21Å; K686-E757 WeakPolarHBondContact CE-O 3.27Å; K686-E757 PolarHBondContact NZ-O 3.13Å; K686-E757 IonicContact NZ-OE2 3.19Å; A754-E757 PolarHBondContact O-N 3.28Å
758	P	93.9	Very high	91.3	Very high	1 Å²	1	15 Å²	15	1%	0.006	7%	0.073	C	C	.	.			trans	-67.2	151.1	-176.2	28.8	-35.4	0	0	0	112.2	L753 L761 Y785	L753-P758 WeakPolarHBondContact O-CD 3.4Å; P758-L761 HydrophobicContact CB-CD2 4.3Å; P758-L761 HydrophobicContact CG-CD2 3.58Å; P758-L761 HydrophobicContact CG-CG 4.2Å; P758-Y785 VanDerWaalsContact C-OH 3.3Å; P758-Y785 PolarHBondContact O-OH 3.43Å
759	D	94.4	Very high	90.7	Very high	3 Å²	3	18 Å²	18	2%	0.016	9%	0.089	C	C	.	.	S	Bend	trans	-92.6	-24.8	169.7	-42.1	-48.7	0	0	0	111.5	P614 M647 L685 K686 Y785 A788	P614-D759 HydrophobicContact CB-CB 4.01Å; P614-D759 WeakPolarHBondContact CB-OD1 3.39Å; M647-D759 HydrophobicContact CE-CB 4.22Å; L685-D759 WeakPolarHBondContact CA-OD2 3.41Å; L685-D759 HydrophobicContact CD1-CB 3.94Å; K686-D759 WeakPolarHBondContact CE-OD1 3.39Å; K686-D759 PolarHBondContact N-OD2 2.86Å; K686-D759 IonicContact NZ-OD1 3.53Å; K686-D759 PolarHBondContact O-N 2.89Å; D759-Y785 VanDerWaalsContact C-OH 3.27Å; D759-Y785 PolarHBondContact O-OH 3.03Å; D759-A788 PolarHBondContact O-N 3.28Å
760	V	94.9	Very high	90.3	Very high	0 Å²	0	18 Å²	18	0%	0	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	125.9	175.5	177.9	0	0	0	0	109	V621 I645 L685 K686 G688 I762 A788	V621-V760 HydrophobicContact CG1-CG2 3.92Å; I645-V760 HydrophobicContact CD1-CG1 3.78Å; I645-V760 HydrophobicContact CD1-CG2 3.99Å; L685-V760 HydrophobicContact CD1-CG2 3.85Å; L685-V760 HydrophobicContact CD2-CG2 4.29Å; L685-V760 HydrophobicContact CG-CG2 4.39Å; K686-V760 PolarHBondContact O-N 3.48Å; G688-V760 PolarHBondContact N-O 2.92Å; V760-I762 HydrophobicContact CG1-CD1 4.49Å; V760-I762 HydrophobicContact CG1-CG1 4Å; V760-A788 WeakPolarHBondContact CA-O 3.41Å; V760-A788 HydrophobicContact CG1-CB 4.35Å; V760-A788 HydrophobicContact CG2-CB 4.09Å
761	L	95	Very high	90	Very high	0 Å²	0	19 Å²	19	0%	0	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	129.9	168.9	-71.2	171.4	0	0	0	110.1	F611 G688 P758 L763 Y785 A788 V789 I790	F611-L761 HydrophobicContact CD1-CD1 4.45Å; F611-L761 HydrophobicContact CD2-CD1 3.66Å; F611-L761 HydrophobicContact CE2-CD1 3.94Å; F611-L761 HydrophobicContact CG-CD1 3.95Å; F611-L761 HydrophobicContact CZ-CD1 4.45Å; G688-L761 WeakPolarHBondContact O-CA 3.41Å; P758-L761 HydrophobicContact CB-CD2 4.3Å; P758-L761 HydrophobicContact CG-CD2 3.58Å; P758-L761 HydrophobicContact CG-CG 4.2Å; L761-L763 HydrophobicContact CB-CG 4.48Å; L761-Y785 HydrophobicContact CB-CE1 4.39Å; L761-Y785 HydrophobicContact CD1-CD1 3.84Å; L761-Y785 HydrophobicContact CD1-CE1 3.58Å; L761-Y785 HydrophobicContact CD1-CG 4.44Å; L761-Y785 HydrophobicContact CG-CE1 3.79Å; L761-A788 PolarHBondContact N-O 3.4Å; L761-V789 HydrophobicContact CB-CG1 4.4Å; L761-V789 HydrophobicContact CB-CG2 4.34Å; L761-V789 HydrophobicContact CD1-CG2 4.39Å; L761-V789 WeakPolarHBondContact O-CA 3.36Å; L761-I790 PolarHBondContact O-N 3Å
762	I	94.9	Very high	89.6	Confident	0 Å²	0	19.7 Å²	19.7	0%	0	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	114	173.1	-60.1	-172.6	0	0	0	107.9	L665 L668 T669 I687 G688 F689 F690 V760 I790	L665-I762 HydrophobicContact CB-CG2 3.89Å; L665-I762 HydrophobicContact CD1-CG2 3.87Å; L665-I762 HydrophobicContact CD2-CG2 3.74Å; L665-I762 HydrophobicContact CG-CG2 4.03Å; L668-I762 HydrophobicContact CB-CD1 4.11Å; T669-I762 HydrophobicContact CG2-CD1 4.05Å; I687-I762 HydrophobicContact CG2-CD1 3.69Å; I687-I762 HydrophobicContact CG2-CG1 3.92Å; G688-I762 PolarHBondContact O-N 3.37Å; F689-I762 CarbonylContact C-O 3.48Å; F689-I762 WeakPolarHBondContact CA-O 3.48Å; F689-I762 HydrophobicContact CD2-CB 4.14Å; F689-I762 HydrophobicContact CD2-CG2 3.8Å; F689-I762 HydrophobicContact CE2-CG2 4.19Å; F690-I762 PolarHBondContact N-O 3Å; V760-I762 HydrophobicContact CG1-CD1 4.49Å; V760-I762 HydrophobicContact CG1-CG1 4Å; I762-I790 CarbonylContact C-O 3.57Å; I762-I790 WeakPolarHBondContact CA-O 3.3Å; I762-I790 HydrophobicContact CD1-CD1 4.27Å; I762-I790 HydrophobicContact CG1-CB 4.36Å; I762-I790 HydrophobicContact CG1-CD1 4.24Å
763	L	93.2	Very high	89.3	Confident	0 Å²	0	23.8 Å²	23.8	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	104.2	-168.2	-57.4	-178.4	0	0	0	111.2	F690 F750 L761 P766 I782 V789 I790 V791 V792	F690-L763 HydrophobicContact CB-CD2 3.61Å; F690-L763 HydrophobicContact CG-CD2 4.47Å; F750-L763 HydrophobicContact CE1-CD2 4.27Å; L761-L763 HydrophobicContact CB-CG 4.48Å; L763-P766 HydrophobicContact CB-CB 4.04Å; L763-P766 HydrophobicContact CB-CG 3.88Å; L763-P766 HydrophobicContact CD1-CB 4.34Å; L763-P766 HydrophobicContact CD1-CG 4.32Å; L763-I782 HydrophobicContact CD1-CD1 4.16Å; L763-V789 HydrophobicContact CD1-CG1 4.36Å; L763-I790 PolarHBondContact N-O 3.36Å; L763-V791 HydrophobicContact CB-CB 4.39Å; L763-V791 HydrophobicContact CB-CG2 4.17Å; L763-V791 CarbonylContact O-C 3.54Å; L763-V791 WeakPolarHBondContact O-CA 2.66Å; L763-V792 PolarHBondContact O-N 2.84Å
764	D	91.6	Very high	89	Confident	13 Å²	13	23.8 Å²	23.8	7%	0.07	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	104.9	177.3	-157.1	20	0	0	0	109.9	S662 L665 F690 N691	S662-D764 WeakPolarHBondContact CB-OD2 3.27Å; S662-D764 PolarHBondContact OG-OD1 3.23Å; S662-D764 PolarHBondContact OG-OD2 2.98Å; L665-D764 HydrophobicContact CD1-CB 3.64Å; F690-D764 WeakPolarHBondContact O-CB 3.4Å; F690-D764 PolarHBondContact O-N 3.4Å; N691-D764 HydrophobicContact CB-CB 3.6Å
765	E	88	Confident	88.9	Confident	33 Å²	33	23.6 Å²	23.6	15%	0.154	11%	0.114	C	C	.	.	S	Bend	trans	49.7	59.4	-174.7	-58.5	-174.2	178.2	0	0	114.6	T767 N768 V792	E765-T767 VanDerWaalsContact C-N 3.28Å; E765-T767 PolarHBondContact O-N 3.35Å; E765-N768 VanDerWaalsContact CB-ND2 3.27Å; E765-N768 WeakPolarHBondContact CB-ND2 3.34Å; E765-N768 WeakPolarHBondContact O-CB 3.46Å; E765-N768 PolarHBondContact O-N 3.04Å; E765-N768 PolarHBondContact OE2-ND2 3.07Å; E765-V792 VanDerWaalsContact CA-O 3.22Å; E765-V792 WeakPolarHBondContact CA-O 3.14Å; E765-V792 HydrophobicContact CG-CG1 4.21Å; E765-V792 PolarHBondContact N-O 3.07Å
766	P	88.8	Confident	88.7	Confident	0 Å²	0	23.4 Å²	23.4	0%	0	11%	0.111	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-20.1	-172.4	29.5	-36.7	0	0	0	115	F690 F750 L763 N768 L770 L778 V791 V792 L798	F690-P766 HydrophobicContact CD1-CB 4.41Å; F750-P766 HydrophobicContact CE1-CB 4.48Å; F750-P766 HydrophobicContact CZ-CB 3.87Å; L763-P766 HydrophobicContact CB-CB 4.04Å; L763-P766 HydrophobicContact CB-CG 3.88Å; L763-P766 HydrophobicContact CD1-CB 4.34Å; L763-P766 HydrophobicContact CD1-CG 4.32Å; P766-N768 VanDerWaalsContact C-N 3.28Å; P766-L770 WeakPolarHBondContact O-CD1 3.45Å; P766-L770 WeakPolarHBondContact O-CG 3.4Å; P766-L778 HydrophobicContact CB-CD2 3.95Å; P766-L778 HydrophobicContact CG-CD2 4.31Å; P766-V791 HydrophobicContact CG-CG2 3.82Å; P766-V792 VanDerWaalsContact CD-O 3.29Å; P766-V792 WeakPolarHBondContact CD-O 2.49Å; P766-L798 HydrophobicContact CG-CD2 4.45Å
767	T	85.9	Confident	88.7	Confident	7 Å²	7	19.1 Å²	19.1	4%	0.043	10%	0.095	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.1	-18.6	177.7	50.5	0	0	0	0	112.9	E765 N769 L770 I775 D795 L798	E765-T767 VanDerWaalsContact C-N 3.28Å; E765-T767 PolarHBondContact O-N 3.35Å; T767-N769 PolarHBondContact O-N 3.48Å; T767-L770 PolarHBondContact O-N 2.77Å; T767-L770 VanDerWaalsContact O-N 3.12Å; T767-I775 HydrophobicContact CG2-CD1 4.19Å; T767-I775 HydrophobicContact CG2-CG1 4.22Å; T767-I775 HydrophobicContact CG2-CG2 4.18Å; T767-D795 HydrophobicContact CG2-CB 3.88Å; T767-L798 HydrophobicContact CG2-CD2 3.66Å
768	N	83.1	Confident	88.7	Confident	6 Å²	6	13.6 Å²	13.6	3%	0.032	7%	0.069	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.8	124.9	-178.6	-79.4	-18.7	0	0	0	111.7	N477 Q692 E765 P766 L770 H794	N477-N768 PolarHBondContact O-OD1 2.88Å; Q692-N768 PolarHBondContact NE2-ND2 2.9Å; E765-N768 VanDerWaalsContact CB-ND2 3.27Å; E765-N768 WeakPolarHBondContact CB-ND2 3.34Å; E765-N768 WeakPolarHBondContact O-CB 3.46Å; E765-N768 PolarHBondContact O-N 3.04Å; E765-N768 PolarHBondContact OE2-ND2 3.07Å; P766-N768 VanDerWaalsContact C-N 3.28Å; N768-L770 PolarHBondContact O-N 3.09Å; N768-L770 VanDerWaalsContact O-N 3.11Å; N768-H794 PolarHBondContact OD1-CE1 2.89Å
769	N	77.9	Confident	88.6	Confident	62 Å²	62	13.7 Å²	13.7	33%	0.332	7%	0.071	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.4	6.3	-178.8	-45	124.5	0	0	0	116.6	N335 G743 T767	N335-N769 PolarHBondContact ND2-O 2.69Å; G743-N769 WeakPolarHBondContact CA-O 3.39Å; T767-N769 PolarHBondContact O-N 3.48Å
770	L	83.9	Confident	88.5	Confident	1 Å²	1	18.9 Å²	18.9	1%	0.005	10%	0.095	C	C	.	.			trans	-69.9	169	164.7	-68.4	-171.4	0	0	0	110.7	N335 F609 A746 F750 P766 T767 N768 I775 L778	N335-L770 PolarHBondContact ND2-O 3.03Å; N335-L770 VanDerWaalsContact ND2-O 3.14Å; F609-L770 HydrophobicContact CE2-CD1 4.49Å; F609-L770 HydrophobicContact CZ-CD2 4.43Å; A746-L770 HydrophobicContact CB-CD2 4.36Å; F750-L770 HydrophobicContact CD2-CD2 4.47Å; F750-L770 HydrophobicContact CE2-CD1 4.06Å; F750-L770 HydrophobicContact CE2-CD2 4.11Å; F750-L770 HydrophobicContact CE2-CG 4.44Å; P766-L770 WeakPolarHBondContact O-CD1 3.45Å; P766-L770 WeakPolarHBondContact O-CG 3.4Å; T767-L770 PolarHBondContact O-N 2.77Å; T767-L770 VanDerWaalsContact O-N 3.12Å; N768-L770 PolarHBondContact O-N 3.09Å; N768-L770 VanDerWaalsContact O-N 3.11Å; L770-I775 HydrophobicContact CB-CD1 4.34Å; L770-I775 HydrophobicContact CB-CG1 3.85Å; L770-I775 HydrophobicContact CD1-CG1 4.25Å; L770-L778 HydrophobicContact CD1-CD2 4.27Å
771	D	84.7	Confident	88.4	Confident	20 Å²	20	18.9 Å²	18.9	11%	0.107	10%	0.095	C	C	.	.			trans	-110.5	165.3	164.6	57.3	22.5	0	0	0	110	H503 R747 E773 S774 I775	H503-D771 VanDerWaalsContact CE1-CB 3.44Å; H503-D771 WeakPolarHBondContact CE1-CB 3.42Å; R747-D771 IonicContact CZ-OD2 2.88Å; R747-D771 IonicContact NH2-OD1 2.76Å; R747-D771 PolarHBondContact NH2-OD1 3.03Å; R747-D771 IonicContact NH2-OD2 3.82Å; R747-D771 PolarHBondContact NH2-OD2 2.88Å; D771-E773 VanDerWaalsContact C-N 3.26Å; D771-E773 PolarHBondContact O-N 2.86Å; D771-S774 WeakPolarHBondContact O-CA 3.24Å; D771-S774 WeakPolarHBondContact O-CB 3.39Å; D771-S774 PolarHBondContact O-N 3.12Å; D771-S774 WeakPolarHBondContact OD1-CB 3.16Å; D771-S774 PolarHBondContact OD1-N 2.82Å; D771-S774 PolarHBondContact OD1-OG 3.13Å; D771-I775 PolarHBondContact O-N 3.04Å
772	I	84.4	Confident	88.3	Confident	14 Å²	14	19 Å²	19	7%	0.072	10%	0.095	C	C	.	.	H	α-helix	trans	-52.8	-41.3	-172.3	-62.5	173.4	0	0	0	112.9	V332 H503 Q505 L508 Y530 S774 I775 D776	V332-I772 HydrophobicContact CG1-CD1 4.41Å; H503-I772 HydrophobicContact CB-CG1 4.17Å; H503-I772 WeakPolarHBondContact O-CG1 3.34Å; Q505-I772 HydrophobicContact CG-CB 4.49Å; Q505-I772 HydrophobicContact CG-CD1 4.38Å; Q505-I772 HydrophobicContact CG-CG1 4.28Å; Q505-I772 HydrophobicContact CG-CG2 3.5Å; Q505-I772 VanDerWaalsContact CG-CG2 3.5Å; L508-I772 HydrophobicContact CD1-CD1 4.48Å; Y530-I772 HydrophobicContact CE1-CG2 4.4Å; Y530-I772 HydrophobicContact CE2-CD1 3.7Å; Y530-I772 WeakPolarHBondContact OH-CD1 3.24Å; Y530-I772 WeakPolarHBondContact OH-CG2 3.29Å; I772-S774 VanDerWaalsContact C-N 3.31Å; I772-S774 PolarHBondContact O-N 2.82Å; I772-I775 PolarHBondContact O-N 3.4Å; I772-D776 PolarHBondContact O-N 2.94Å
773	E	83.6	Confident	88.3	Confident	87 Å²	87	23.1 Å²	23.1	41%	0.407	12%	0.117	S	C	.	.	H	α-helix	trans	-64.2	-35.3	177.8	-167.5	-173.9	148	0	0	111.9	V607 D771 A777	V607-E773 HydrophobicContact CB-CG 4.2Å; V607-E773 HydrophobicContact CG2-CG 4.2Å; V607-E773 WeakPolarHBondContact CG2-OE1 3.45Å; V607-E773 PolarHBondContact N-OE1 3.35Å; V607-E773 VanDerWaalsContact N-OE1 3.11Å; D771-E773 VanDerWaalsContact C-N 3.26Å; D771-E773 PolarHBondContact O-N 2.86Å; E773-A777 VanDerWaalsContact O-CB 3.27Å; E773-A777 WeakPolarHBondContact O-CB 3.25Å; E773-A777 PolarHBondContact O-N 2.93Å; E773-A777 VanDerWaalsContact O-N 3.09Å
774	S	86.9	Confident	88.3	Confident	0 Å²	0	28.3 Å²	28.3	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-74.6	-29.1	175.2	-49.3	0	0	0	0	113	R747 D771 I772 L778	R747-S774 PolarHBondContact NE-OG 2.84Å; R747-S774 PolarHBondContact NH2-OG 3.29Å; D771-S774 WeakPolarHBondContact O-CA 3.24Å; D771-S774 WeakPolarHBondContact O-CB 3.39Å; D771-S774 PolarHBondContact O-N 3.12Å; D771-S774 WeakPolarHBondContact OD1-CB 3.16Å; D771-S774 PolarHBondContact OD1-N 2.82Å; D771-S774 PolarHBondContact OD1-OG 3.13Å; I772-S774 VanDerWaalsContact C-N 3.31Å; I772-S774 PolarHBondContact O-N 2.82Å; S774-L778 VanDerWaalsContact O-CB 3.27Å; S774-L778 WeakPolarHBondContact O-CB 3.45Å; S774-L778 PolarHBondContact O-N 3.12Å
775	I	88.6	Confident	88.4	Confident	8 Å²	8	27.7 Å²	27.7	4%	0.041	14%	0.138	C	C	.	.	H	α-helix	trans	-74.3	-46	177.2	-62.4	171.1	0	0	0	110.1	H503 T767 L770 D771 I772 A777 L778 G779	H503-I775 HydrophobicContact CB-CD1 4.4Å; T767-I775 HydrophobicContact CG2-CD1 4.19Å; T767-I775 HydrophobicContact CG2-CG1 4.22Å; T767-I775 HydrophobicContact CG2-CG2 4.18Å; L770-I775 HydrophobicContact CB-CD1 4.34Å; L770-I775 HydrophobicContact CB-CG1 3.85Å; L770-I775 HydrophobicContact CD1-CG1 4.25Å; D771-I775 PolarHBondContact O-N 3.04Å; I772-I775 PolarHBondContact O-N 3.4Å; I775-A777 VanDerWaalsContact C-N 3.33Å; I775-A777 PolarHBondContact O-N 2.86Å; I775-L778 PolarHBondContact O-N 3.02Å; I775-G779 PolarHBondContact O-N 2.98Å
776	D	88.3	Confident	88.6	Confident	28 Å²	28	32.4 Å²	32.4	15%	0.15	16%	0.16	C	C	.	.	H	α-helix	trans	-54.1	-51	170.7	-72.9	-35.9	0	0	0	110.3	Q505 K534 I772 L778 G779 E780 R797	Q505-D776 PolarHBondContact NE2-OD1 3.01Å; Q505-D776 PolarHBondContact OE1-OD1 3.47Å; K534-D776 WeakPolarHBondContact CE-OD2 3.46Å; K534-D776 IonicContact NZ-OD1 2.89Å; K534-D776 PolarHBondContact NZ-OD1 2.95Å; K534-D776 IonicContact NZ-OD2 3.12Å; K534-D776 PolarHBondContact NZ-OD2 3.36Å; I772-D776 PolarHBondContact O-N 2.94Å; D776-L778 VanDerWaalsContact C-N 3.3Å; D776-L778 PolarHBondContact O-N 3.28Å; D776-G779 PolarHBondContact O-N 3.48Å; D776-G779 VanDerWaalsContact O-N 3.14Å; D776-E780 PolarHBondContact O-N 3.34Å; D776-R797 IonicContact OD1-CZ 2.75Å; D776-R797 IonicContact OD1-NH1 3.65Å; D776-R797 IonicContact OD1-NH2 2.77Å; D776-R797 PolarHBondContact OD1-NH2 3.28Å
777	A	89.8	Confident	88.8	Confident	3 Å²	3	32.4 Å²	32.4	3%	0.025	16%	0.16	C	C	.	.	H	α-helix	trans	-64.7	-29.2	179.9	0	0	0	0	0	113.7	V607 E773 I775 A781	V607-A777 HydrophobicContact CB-CB 4.4Å; V607-A777 HydrophobicContact CG1-CB 3.98Å; E773-A777 VanDerWaalsContact O-CB 3.27Å; E773-A777 WeakPolarHBondContact O-CB 3.25Å; E773-A777 PolarHBondContact O-N 2.93Å; E773-A777 VanDerWaalsContact O-N 3.09Å; I775-A777 VanDerWaalsContact C-N 3.33Å; I775-A777 PolarHBondContact O-N 2.86Å; A777-A781 WeakPolarHBondContact O-CB 3.42Å; A777-A781 PolarHBondContact O-N 2.81Å
778	L	91.8	Very high	89.2	Confident	0 Å²	0	32.1 Å²	32.1	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-72.8	-36.5	173.5	176.4	64.5	0	0	0	111.7	F609 F611 F750 P766 L770 S774 I775 D776 A781 I782 L798	F609-L778 HydrophobicContact CD2-CB 4.01Å; F609-L778 HydrophobicContact CD2-CD1 4.01Å; F609-L778 HydrophobicContact CE2-CB 4.39Å; F611-L778 HydrophobicContact CE2-CD1 4.19Å; F611-L778 HydrophobicContact CZ-CD1 4.31Å; F750-L778 HydrophobicContact CE1-CD1 4.24Å; F750-L778 HydrophobicContact CZ-CD2 4.36Å; P766-L778 HydrophobicContact CB-CD2 3.95Å; P766-L778 HydrophobicContact CG-CD2 4.31Å; L770-L778 HydrophobicContact CD1-CD2 4.27Å; S774-L778 VanDerWaalsContact O-CB 3.27Å; S774-L778 WeakPolarHBondContact O-CB 3.45Å; S774-L778 PolarHBondContact O-N 3.12Å; I775-L778 PolarHBondContact O-N 3.02Å; D776-L778 VanDerWaalsContact C-N 3.3Å; D776-L778 PolarHBondContact O-N 3.28Å; L778-A781 WeakPolarHBondContact O-CB 3.45Å; L778-A781 PolarHBondContact O-N 3.28Å; L778-I782 HydrophobicContact CD1-CD1 3.99Å; L778-I782 HydrophobicContact CD1-CG1 4.3Å; L778-I782 HydrophobicContact CG-CD1 3.97Å; L778-I782 WeakPolarHBondContact O-CG1 3.37Å; L778-I782 PolarHBondContact O-N 3.21Å; L778-L798 HydrophobicContact CD2-CD2 4.29Å
779	G	91.8	Very high	89.8	Confident	3 Å²	3	31.9 Å²	31.9	3%	0.031	16%	0.157	C	C	.	.	H	α-helix	trans	-62.5	-47.7	172.1	0	0	0	0	0	111.7	I775 D776 A781 I782 N783	I775-G779 PolarHBondContact O-N 2.98Å; D776-G779 PolarHBondContact O-N 3.48Å; D776-G779 VanDerWaalsContact O-N 3.14Å; G779-A781 VanDerWaalsContact C-N 3.33Å; G779-A781 PolarHBondContact O-N 2.97Å; G779-I782 PolarHBondContact O-N 2.84Å; G779-N783 PolarHBondContact O-N 3.15Å; G779-N783 VanDerWaalsContact O-N 3.15Å
780	E	91.8	Very high	90.7	Very high	112 Å²	112	29 Å²	29	52%	0.523	14%	0.142	S	C	.	.	H	α-helix	trans	-55.5	-46.7	171.5	-68.9	178.2	-175.4	0	0	111.2	D776 I782 N783 E784	D776-E780 PolarHBondContact O-N 3.34Å; E780-I782 PolarHBondContact O-N 3.24Å; E780-N783 PolarHBondContact O-N 3.47Å; E780-N783 VanDerWaalsContact O-N 3.15Å; E780-E784 PolarHBondContact O-N 3.42Å
781	A	92.9	Very high	91.2	Very high	0 Å²	0	29 Å²	29	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-58	-41.7	178.1	0	0	0	0	0	114.1	F609 F611 A777 L778 G779 N783 Y785	F609-A781 HydrophobicContact CB-CB 3.82Å; F609-A781 WeakPolarHBondContact O-CB 3.42Å; F611-A781 HydrophobicContact CD2-CB 4.01Å; F611-A781 HydrophobicContact CE2-CB 3.74Å; A777-A781 WeakPolarHBondContact O-CB 3.42Å; A777-A781 PolarHBondContact O-N 2.81Å; L778-A781 WeakPolarHBondContact O-CB 3.45Å; L778-A781 PolarHBondContact O-N 3.28Å; G779-A781 VanDerWaalsContact C-N 3.33Å; G779-A781 PolarHBondContact O-N 2.97Å; A781-N783 VanDerWaalsContact C-N 3.29Å; A781-Y785 WeakPolarHBondContact O-CB 3.46Å; A781-Y785 PolarHBondContact O-N 3.11Å; A781-Y785 VanDerWaalsContact O-N 3.14Å
782	I	93.5	Very high	91.5	Very high	2 Å²	2	28.2 Å²	28.2	1%	0.01	14%	0.138	C	C	.	.	H	α-helix	trans	-72.5	-26.1	-179	-71.6	165.9	0	0	0	111	R650 L763 L778 G779 E780 V789 T802	R650-I782 PolarHBondContact NE-O 3.19Å; R650-I782 PolarHBondContact NH2-O 2.97Å; L763-I782 HydrophobicContact CD1-CD1 4.16Å; L778-I782 HydrophobicContact CD1-CD1 3.99Å; L778-I782 HydrophobicContact CD1-CG1 4.3Å; L778-I782 HydrophobicContact CG-CD1 3.97Å; L778-I782 WeakPolarHBondContact O-CG1 3.37Å; L778-I782 PolarHBondContact O-N 3.21Å; G779-I782 PolarHBondContact O-N 2.84Å; E780-I782 PolarHBondContact O-N 3.24Å; I782-V789 HydrophobicContact CD1-CG1 4.34Å; I782-V789 HydrophobicContact CG1-CG1 4.33Å; I782-V789 HydrophobicContact CG2-CB 4.38Å; I782-V789 HydrophobicContact CG2-CG1 4.23Å; I782-V789 HydrophobicContact CG2-CG2 4.14Å; I782-T802 HydrophobicContact CB-CG2 3.72Å; I782-T802 HydrophobicContact CD1-CG2 4.2Å; I782-T802 HydrophobicContact CG2-CG2 3.45Å; I782-T802 VanDerWaalsContact CG2-CG2 3.45Å
783	N	93.4	Very high	91.8	Very high	86 Å²	86	27.9 Å²	27.9	46%	0.46	14%	0.137	S	C	.	.	H	α-helix	trans	-82.5	-32.3	176	-71.8	-14.2	0	0	0	113.2	G779 E780 A781 E801 T802	G779-N783 PolarHBondContact O-N 3.15Å; G779-N783 VanDerWaalsContact O-N 3.15Å; E780-N783 PolarHBondContact O-N 3.47Å; E780-N783 VanDerWaalsContact O-N 3.15Å; A781-N783 VanDerWaalsContact C-N 3.29Å; N783-E801 PolarHBondContact ND2-O 2.32Å; N783-E801 PolarHBondContact OD1-O 3.04Å; N783-T802 WeakPolarHBondContact OD1-CA 3.39Å
784	E	93	Very high	91.9	Very high	109 Å²	109	24.1 Å²	24.1	51%	0.509	12%	0.119	S	C	.	.	H	α-helix	trans	-71.1	-42.4	172.6	-69.3	-175.6	152.4	0	0	112.3	T610 E780 Q786	T610-E784 VanDerWaalsContact CB-OE2 3.22Å; T610-E784 WeakPolarHBondContact CB-OE2 3.41Å; T610-E784 PolarHBondContact OG1-OE2 2.92Å; E780-E784 PolarHBondContact O-N 3.42Å; E784-Q786 PolarHBondContact O-N 3.3Å; E784-Q786 PolarHBondContact O-NE2 3.42Å
785	Y	94.6	Very high	92	Very high	1 Å²	1	24.3 Å²	24.3	0%	0.004	12%	0.12	C	C	.	.			trans	-66.1	123.5	-166.4	172.9	-115	0	0	0	115.1	F611 R650 P758 D759 L761 A781 G787 V789	F611-Y785 HydrophobicContact CB-CD2 3.73Å; F611-Y785 HydrophobicContact CB-CE2 4.02Å; F611-Y785 HydrophobicContact CB-CG 4.36Å; R650-Y785 PolarHBondContact NH2-O 3.17Å; P758-Y785 VanDerWaalsContact C-OH 3.3Å; P758-Y785 PolarHBondContact O-OH 3.43Å; D759-Y785 VanDerWaalsContact C-OH 3.27Å; D759-Y785 PolarHBondContact O-OH 3.03Å; L761-Y785 HydrophobicContact CB-CE1 4.39Å; L761-Y785 HydrophobicContact CD1-CD1 3.84Å; L761-Y785 HydrophobicContact CD1-CE1 3.58Å; L761-Y785 HydrophobicContact CD1-CG 4.44Å; L761-Y785 HydrophobicContact CG-CE1 3.79Å; A781-Y785 WeakPolarHBondContact O-CB 3.46Å; A781-Y785 PolarHBondContact O-N 3.11Å; A781-Y785 VanDerWaalsContact O-N 3.14Å; Y785-G787 VanDerWaalsContact C-N 3.27Å; Y785-G787 WeakPolarHBondContact CD1-O 3.1Å; Y785-G787 WeakPolarHBondContact CE1-O 3.33Å; Y785-G787 PolarHBondContact O-N 3Å; Y785-V789 HydrophobicContact CD1-CG2 3.76Å; Y785-V789 HydrophobicContact CE1-CG2 3.99Å
786	Q	92.7	Very high	91.8	Very high	132 Å²	132	25.1 Å²	25.1	62%	0.617	13%	0.128	S	C	*	.			trans	-83.6	15.1	-178.3	-57.5	-58.2	-68	0	0	115.2	D613 E784	D613-Q786 HydrophobicContact CB-CB 4.21Å; D613-Q786 HydrophobicContact CB-CG 4.4Å; D613-Q786 WeakPolarHBondContact OD1-CB 3.41Å; D613-Q786 WeakPolarHBondContact OD1-CG 3.48Å; D613-Q786 PolarHBondContact OD1-N 3.48Å; E784-Q786 PolarHBondContact O-N 3.3Å; E784-Q786 PolarHBondContact O-NE2 3.42Å
787	G	92.7	Very high	91.8	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	13%	0.128	C	C	.	.	S	Bend	trans	-105.3	175.5	171.9	0	0	0	0	0	113.3	M647 R650 Y785	M647-G787 CarbonylContact O-C 3.57Å; M647-G787 WeakPolarHBondContact O-CA 3.41Å; R650-G787 PolarHBondContact NH1-O 3.29Å; R650-G787 PolarHBondContact NH2-O 3.03Å; Y785-G787 VanDerWaalsContact C-N 3.27Å; Y785-G787 WeakPolarHBondContact CD1-O 3.1Å; Y785-G787 WeakPolarHBondContact CE1-O 3.33Å; Y785-G787 PolarHBondContact O-N 3Å
788	A	94.3	Very high	91.7	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	146.8	-177.6	0	0	0	0	0	111.1	I645 D646 M647 D759 V760 L761	I645-A788 HydrophobicContact CD1-CB 4.45Å; D646-A788 WeakPolarHBondContact O-CB 3.36Å; M647-A788 WeakPolarHBondContact O-CA 3.45Å; M647-A788 PolarHBondContact O-N 3.37Å; D759-A788 PolarHBondContact O-N 3.28Å; V760-A788 WeakPolarHBondContact CA-O 3.41Å; V760-A788 HydrophobicContact CG1-CB 4.35Å; V760-A788 HydrophobicContact CG2-CB 4.09Å; L761-A788 PolarHBondContact N-O 3.4Å
789	V	95.8	Very high	91.7	Very high	1 Å²	1	25.7 Å²	25.7	1%	0.006	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	119.4	-179.7	-172.8	0	0	0	0	110.5	S649 I651 L761 L763 I782 Y785	S649-V789 PolarHBondContact O-N 2.89Å; I651-V789 PolarHBondContact N-O 3.39Å; L761-V789 HydrophobicContact CB-CG1 4.4Å; L761-V789 HydrophobicContact CB-CG2 4.34Å; L761-V789 HydrophobicContact CD1-CG2 4.39Å; L761-V789 WeakPolarHBondContact O-CA 3.36Å; L763-V789 HydrophobicContact CD1-CG1 4.36Å; I782-V789 HydrophobicContact CD1-CG1 4.34Å; I782-V789 HydrophobicContact CG1-CG1 4.33Å; I782-V789 HydrophobicContact CG2-CB 4.38Å; I782-V789 HydrophobicContact CG2-CG1 4.23Å; I782-V789 HydrophobicContact CG2-CG2 4.14Å; Y785-V789 HydrophobicContact CD1-CG2 3.76Å; Y785-V789 HydrophobicContact CE1-CG2 3.99Å
790	I	95.6	Very high	91.6	Very high	1 Å²	1	29.5 Å²	29.5	1%	0.005	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	123.2	170.1	-48.5	-179.8	0	0	0	107.7	I645 I651 I653 L665 L668 L761 I762 L763	I645-I790 HydrophobicContact CD1-CD1 3.99Å; I645-I790 HydrophobicContact CG2-CD1 3.93Å; I645-I790 HydrophobicContact CG2-CG1 4.5Å; I651-I790 HydrophobicContact CG2-CG2 4.36Å; I651-I790 CarbonylContact O-C 3.58Å; I651-I790 WeakPolarHBondContact O-CA 2.96Å; I653-I790 HydrophobicContact CD1-CG2 3.47Å; I653-I790 VanDerWaalsContact CD1-CG2 3.47Å; I653-I790 HydrophobicContact CG1-CG2 4.21Å; L665-I790 HydrophobicContact CD2-CG2 3.87Å; L668-I790 HydrophobicContact CD1-CD1 3.94Å; L761-I790 PolarHBondContact O-N 3Å; I762-I790 CarbonylContact C-O 3.57Å; I762-I790 WeakPolarHBondContact CA-O 3.3Å; I762-I790 HydrophobicContact CD1-CD1 4.27Å; I762-I790 HydrophobicContact CG1-CB 4.36Å; I762-I790 HydrophobicContact CG1-CD1 4.24Å; L763-I790 PolarHBondContact N-O 3.36Å
791	V	94.1	Very high	91.6	Very high	3 Å²	3	28.1 Å²	28.1	2%	0.018	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	133.3	-177	62.3	0	0	0	0	112	I651 C652 I653 L763 P766	I651-V791 PolarHBondContact O-N 2.79Å; C652-V791 CarbonylContact C-O 3.49Å; C652-V791 VanDerWaalsContact CA-O 3.24Å; C652-V791 WeakPolarHBondContact CA-O 3.41Å; C652-V791 HydrophobicContact CB-CG1 4.09Å; C652-V791 PolarHBondContact SG-O 2.87Å; I653-V791 PolarHBondContact N-O 3.24Å; L763-V791 HydrophobicContact CB-CB 4.39Å; L763-V791 HydrophobicContact CB-CG2 4.17Å; L763-V791 CarbonylContact O-C 3.54Å; L763-V791 WeakPolarHBondContact O-CA 2.66Å; P766-V791 HydrophobicContact CG-CG2 3.82Å
792	V	92.6	Very high	91.4	Very high	3 Å²	3	28.2 Å²	28.2	2%	0.018	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	117.6	159.6	172.6	0	0	0	0	106.1	I653 K661 L665 L763 E765 P766	I653-V792 HydrophobicContact CB-CG2 3.86Å; I653-V792 HydrophobicContact CG2-CG2 4.12Å; K661-V792 HydrophobicContact CB-CG1 4.4Å; K661-V792 HydrophobicContact CB-CG2 4.09Å; K661-V792 HydrophobicContact CD-CG1 4Å; L665-V792 HydrophobicContact CD1-CG2 3.84Å; L665-V792 HydrophobicContact CG-CG2 4.34Å; L763-V792 PolarHBondContact O-N 2.84Å; E765-V792 VanDerWaalsContact CA-O 3.22Å; E765-V792 WeakPolarHBondContact CA-O 3.14Å; E765-V792 HydrophobicContact CG-CG1 4.21Å; E765-V792 PolarHBondContact N-O 3.07Å; P766-V792 VanDerWaalsContact CD-O 3.29Å; P766-V792 WeakPolarHBondContact CD-O 2.49Å
793	S	89.4	Confident	91.3	Very high	7 Å²	7	34.8 Å²	34.8	5%	0.049	18%	0.18	C	C	.	.			trans	-141.6	151.8	-179.1	-175.3	0	0	0	0	110.9	D795	S793-D795 PolarHBondContact OG-N 3.26Å
794	H	86.9	Confident	91.2	Very high	8 Å²	8	31.2 Å²	31.2	4%	0.037	16%	0.162	C	C	.	.			trans	-103	-8	165.9	62.1	-108.2	0	0	0	112.4	L481 V484 N768 A796	L481-H794 VanDerWaalsContact CD1-O 3.29Å; L481-H794 WeakPolarHBondContact CD1-O 3.49Å; V484-H794 HydrophobicContact CG2-CB 4.05Å; N768-H794 PolarHBondContact OD1-CE1 2.89Å; H794-A796 PolarHBondContact O-N 3.26Å
795	D	87.8	Confident	91.2	Very high	3 Å²	3	30.6 Å²	30.6	2%	0.016	16%	0.159	C	C	.	.			trans	-79.9	105.8	178	-174.6	-37.4	0	0	0	109.9	T767 S793 R797 L798 I799	T767-D795 HydrophobicContact CG2-CB 3.88Å; S793-D795 PolarHBondContact OG-N 3.26Å; D795-R797 PolarHBondContact O-N 3.45Å; D795-R797 WeakPolarHBondContact OD1-CA 3.5Å; D795-R797 WeakPolarHBondContact OD1-CB 3.17Å; D795-R797 PolarHBondContact OD1-N 3.35Å; D795-L798 HydrophobicContact CB-CB 4.05Å; D795-L798 PolarHBondContact O-N 3.45Å; D795-L798 PolarHBondContact OD1-N 3.06Å; D795-I799 WeakPolarHBondContact O-CD1 3.45Å; D795-I799 VanDerWaalsContact O-CG1 3.32Å; D795-I799 WeakPolarHBondContact O-CG1 3.4Å; D795-I799 PolarHBondContact O-N 3.02Å
796	A	85.8	Confident	91.1	Very high	26 Å²	26	30.7 Å²	30.7	22%	0.215	16%	0.159	C	C	.	.	H	α-helix	trans	-55.9	-37.7	178.2	0	0	0	0	0	113.3	H794 T800 F821	H794-A796 PolarHBondContact O-N 3.26Å; A796-T800 WeakPolarHBondContact O-CB 3.41Å; A796-T800 PolarHBondContact O-N 2.66Å; A796-T800 VanDerWaalsContact O-N 3.16Å; A796-T800 PolarHBondContact O-OG1 3.2Å; A796-F821 HydrophobicContact CB-CD1 4.2Å; A796-F821 HydrophobicContact CB-CE1 3.45Å; A796-F821 VanDerWaalsContact CB-CE1 3.45Å; A796-F821 HydrophobicContact CB-CE2 3.79Å; A796-F821 HydrophobicContact CB-CZ 3.22Å
797	R	86.8	Confident	91.2	Very high	37 Å²	37	26.4 Å²	26.4	14%	0.14	14%	0.137	C	C	.	.	H	α-helix	trans	-75.2	-43.9	-176	175.1	174.6	167.7	-161.2	-20.2	110.7	Q505 D776 D795 I799 T800 E801	Q505-R797 VanDerWaalsContact NE2-NH1 3.11Å; D776-R797 IonicContact OD1-CZ 2.75Å; D776-R797 IonicContact OD1-NH1 3.65Å; D776-R797 IonicContact OD1-NH2 2.77Å; D776-R797 PolarHBondContact OD1-NH2 3.28Å; D795-R797 PolarHBondContact O-N 3.45Å; D795-R797 WeakPolarHBondContact OD1-CA 3.5Å; D795-R797 WeakPolarHBondContact OD1-CB 3.17Å; D795-R797 PolarHBondContact OD1-N 3.35Å; R797-I799 VanDerWaalsContact C-N 3.27Å; R797-I799 PolarHBondContact O-N 3.18Å; R797-T800 PolarHBondContact O-N 3.41Å; R797-T800 VanDerWaalsContact O-N 3.13Å; R797-E801 HydrophobicContact CG-CG 4.01Å; R797-E801 WeakPolarHBondContact CG-OE2 3.42Å; R797-E801 IonicContact CZ-OE1 2.64Å; R797-E801 IonicContact CZ-OE2 3.7Å; R797-E801 IonicContact NE-OE1 2.7Å; R797-E801 PolarHBondContact NE-OE1 3.06Å; R797-E801 IonicContact NE-OE2 2.68Å; R797-E801 PolarHBondContact NE-OE2 3.02Å; R797-E801 IonicContact NH2-OE1 3.39Å; R797-E801 PolarHBondContact NH2-OE1 3.44Å; R797-E801 IonicContact NH2-OE2 2.64Å; R797-E801 PolarHBondContact NH2-OE2 2.8Å; R797-E801 WeakPolarHBondContact O-CB 3.4Å; R797-E801 PolarHBondContact O-N 2.9Å
798	L	89.4	Confident	91.2	Very high	3 Å²	3	26.8 Å²	26.8	2%	0.016	14%	0.14	C	C	.	.	H	α-helix	trans	-58.7	-40.8	176.9	-178.2	63.4	0	0	0	111.4	P766 T767 L778 D795 T802	P766-L798 HydrophobicContact CG-CD2 4.45Å; T767-L798 HydrophobicContact CG2-CD2 3.66Å; L778-L798 HydrophobicContact CD2-CD2 4.29Å; D795-L798 HydrophobicContact CB-CB 4.05Å; D795-L798 PolarHBondContact O-N 3.45Å; D795-L798 PolarHBondContact OD1-N 3.06Å; L798-T802 HydrophobicContact CD1-CG2 4Å; L798-T802 WeakPolarHBondContact O-CB 3.28Å; L798-T802 VanDerWaalsContact O-CG2 3.3Å; L798-T802 WeakPolarHBondContact O-CG2 3.08Å; L798-T802 PolarHBondContact O-N 3.3Å; L798-T802 PolarHBondContact O-OG1 2.9Å
799	I	90.9	Very high	91.1	Very high	2 Å²	2	26.9 Å²	26.9	1%	0.01	14%	0.141	C	C	.	.	H	α-helix	trans	-62.5	-44.2	176.4	-63.1	165.3	0	0	0	110.8	L481 C652 D795 R797 T802 N803 C804 L806 F821	L481-I799 HydrophobicContact CD1-CD1 4.29Å; L481-I799 HydrophobicContact CD2-CD1 4.1Å; C652-I799 HydrophobicContact CB-CG1 4.39Å; C652-I799 HydrophobicContact CB-CG2 4.08Å; D795-I799 WeakPolarHBondContact O-CD1 3.45Å; D795-I799 VanDerWaalsContact O-CG1 3.32Å; D795-I799 WeakPolarHBondContact O-CG1 3.4Å; D795-I799 PolarHBondContact O-N 3.02Å; R797-I799 VanDerWaalsContact C-N 3.27Å; R797-I799 PolarHBondContact O-N 3.18Å; I799-T802 PolarHBondContact O-OG1 3.2Å; I799-N803 PolarHBondContact O-N 3.08Å; I799-C804 HydrophobicContact CG2-CB 4.22Å; I799-C804 PolarHBondContact O-N 3.09Å; I799-L806 HydrophobicContact CG2-CD1 4.09Å; I799-F821 HydrophobicContact CB-CD2 4.38Å; I799-F821 HydrophobicContact CD1-CD2 4.43Å; I799-F821 HydrophobicContact CD1-CE2 4.15Å; I799-F821 HydrophobicContact CG2-CD2 4.13Å
800	T	90.3	Very high	90.7	Very high	84 Å²	84	30.6 Å²	30.6	52%	0.515	16%	0.158	S	C	.	.	H	α-helix	trans	-71.6	-47.5	-178.2	-53.1	0	0	0	0	112.3	A796 R797 T802 N803	A796-T800 WeakPolarHBondContact O-CB 3.41Å; A796-T800 PolarHBondContact O-N 2.66Å; A796-T800 VanDerWaalsContact O-N 3.16Å; A796-T800 PolarHBondContact O-OG1 3.2Å; R797-T800 PolarHBondContact O-N 3.41Å; R797-T800 VanDerWaalsContact O-N 3.13Å; T800-T802 PolarHBondContact O-N 2.87Å; T800-N803 PolarHBondContact O-N 3.09Å; T800-N803 VanDerWaalsContact O-N 3.16Å
801	E	90.3	Very high	90.2	Very high	83 Å²	83	39.3 Å²	39.3	39%	0.388	20%	0.198	S	C	.	.	H	α-helix	trans	-67	-22.6	179.7	-76.3	-176.8	143.3	0	0	113.1	N783 R797	N783-E801 PolarHBondContact ND2-O 2.32Å; N783-E801 PolarHBondContact OD1-O 3.04Å; R797-E801 HydrophobicContact CG-CG 4.01Å; R797-E801 WeakPolarHBondContact CG-OE2 3.42Å; R797-E801 IonicContact CZ-OE1 2.64Å; R797-E801 IonicContact CZ-OE2 3.7Å; R797-E801 IonicContact NE-OE1 2.7Å; R797-E801 PolarHBondContact NE-OE1 3.06Å; R797-E801 IonicContact NE-OE2 2.68Å; R797-E801 PolarHBondContact NE-OE2 3.02Å; R797-E801 IonicContact NH2-OE1 3.39Å; R797-E801 PolarHBondContact NH2-OE1 3.44Å; R797-E801 IonicContact NH2-OE2 2.64Å; R797-E801 PolarHBondContact NH2-OE2 2.8Å; R797-E801 WeakPolarHBondContact O-CB 3.4Å; R797-E801 PolarHBondContact O-N 2.9Å
802	T	90.4	Very high	90	Very high	2 Å²	2	40.9 Å²	40.9	1%	0.012	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.1	4.7	175.7	61.1	0	0	0	0	114.2	I782 N783 L798 I799 T800 C804	I782-T802 HydrophobicContact CB-CG2 3.72Å; I782-T802 HydrophobicContact CD1-CG2 4.2Å; I782-T802 HydrophobicContact CG2-CG2 3.45Å; I782-T802 VanDerWaalsContact CG2-CG2 3.45Å; N783-T802 WeakPolarHBondContact OD1-CA 3.39Å; L798-T802 HydrophobicContact CD1-CG2 4Å; L798-T802 WeakPolarHBondContact O-CB 3.28Å; L798-T802 VanDerWaalsContact O-CG2 3.3Å; L798-T802 WeakPolarHBondContact O-CG2 3.08Å; L798-T802 PolarHBondContact O-N 3.3Å; L798-T802 PolarHBondContact O-OG1 2.9Å; I799-T802 PolarHBondContact O-OG1 3.2Å; T800-T802 PolarHBondContact O-N 2.87Å; T802-C804 PolarHBondContact O-N 3.48Å; T802-C804 PolarHBondContact OG1-SG 2.76Å
803	N	91.3	Very high	90	Very high	139 Å²	139	42.8 Å²	42.8	74%	0.743	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	49.3	41.4	178.6	-165.9	53.1	0	0	0	112.9	I799 T800	I799-N803 PolarHBondContact O-N 3.08Å; T800-N803 PolarHBondContact O-N 3.09Å; T800-N803 VanDerWaalsContact O-N 3.16Å
804	C	90.4	Very high	90.2	Very high	11 Å²	11	43 Å²	43	7%	0.074	22%	0.22	C	C	.	.	P	Polyproline II helix	trans	-72.6	135	179.4	-77.1	0	0	0	0	111.6	R650 C652 I799 T802	R650-C804 WeakPolarHBondContact O-CA 2.91Å; C652-C804 HydrophobicContact CB-CB 3.73Å; I799-C804 HydrophobicContact CG2-CB 4.22Å; I799-C804 PolarHBondContact O-N 3.09Å; T802-C804 PolarHBondContact O-N 3.48Å; T802-C804 PolarHBondContact OG1-SG 2.76Å
805	Q	92.7	Very high	90.4	Very high	97 Å²	97	44.6 Å²	44.6	45%	0.453	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	133.4	164.1	-64.2	175.8	-10	0	0	109.4	R650 C652	R650-Q805 PolarHBondContact O-N 3.42Å; C652-Q805 PolarHBondContact N-O 3.12Å
806	L	93.3	Very high	90.6	Very high	3 Å²	3	48.7 Å²	48.7	2%	0.016	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	130.2	177.8	-76.7	77.8	0	0	0	110.6	V654 I799 I817 Y824	V654-L806 HydrophobicContact CG1-CD2 4.23Å; V654-L806 HydrophobicContact CG1-CG 4.32Å; V654-L806 HydrophobicContact CG2-CB 4.47Å; I799-L806 HydrophobicContact CG2-CD1 4.09Å; L806-I817 HydrophobicContact CB-CB 4.03Å; L806-I817 HydrophobicContact CB-CG1 4.12Å; L806-I817 PolarHBondContact O-N 2.88Å; L806-Y824 HydrophobicContact CD2-CD1 3.77Å; L806-Y824 HydrophobicContact CD2-CD2 4.44Å; L806-Y824 HydrophobicContact CD2-CG 3.67Å
807	W	93.9	Very high	90.8	Very high	41 Å²	41	48.6 Å²	48.6	16%	0.155	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	109.3	177.1	-76.4	71.7	0	0	0	109.1	F643 I651 C652 I653 V654 V814 S815 Q816	F643-W807 AromaticContact CD2-CE3 3.89Å; F643-W807 HydrophobicContact CD2-CE3 3.89Å; F643-W807 HydrophobicContact CD2-CH2 4.35Å; F643-W807 AromaticContact CD2-CZ3 3.8Å; F643-W807 HydrophobicContact CD2-CZ3 3.8Å; F643-W807 AromaticContact CE2-CD2 4Å; F643-W807 HydrophobicContact CE2-CD2 4Å; F643-W807 AromaticContact CE2-CE3 3.82Å; F643-W807 HydrophobicContact CE2-CE3 3.82Å; F643-W807 HydrophobicContact CE2-CH2 4.48Å; F643-W807 HydrophobicContact CE2-CZ3 4.08Å; I651-W807 HydrophobicContact CG2-CB 4.28Å; I651-W807 HydrophobicContact CG2-CG 4Å; C652-W807 PolarHBondContact O-N 3.39Å; I653-W807 CarbonylContact C-O 3.54Å; I653-W807 WeakPolarHBondContact CA-O 3.48Å; V654-W807 PolarHBondContact N-O 3.06Å; W807-V814 HydrophobicContact CB-CG1 3.95Å; W807-V814 HydrophobicContact CE3-CB 4.48Å; W807-V814 HydrophobicContact CE3-CG1 3.93Å; W807-S815 CarbonylContact C-O 3.54Å; W807-S815 VanDerWaalsContact CA-O 3.26Å; W807-S815 WeakPolarHBondContact CA-O 3.25Å; W807-Q816 HydrophobicContact CD2-CB 4.07Å; W807-Q816 HydrophobicContact CE3-CB 4.24Å; W807-Q816 HydrophobicContact CH2-CB 4.2Å; W807-Q816 HydrophobicContact CZ2-CB 4.01Å; W807-Q816 HydrophobicContact CZ2-CG 4.25Å; W807-Q816 HydrophobicContact CZ3-CB 4.31Å
808	V	93.1	Very high	90.8	Very high	8 Å²	8	54.5 Å²	54.5	5%	0.048	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	134.8	-176.8	63.8	0	0	0	0	111.3	V654 E810 V814 S815 I817	V654-V808 HydrophobicContact CG2-CB 3.9Å; V654-V808 HydrophobicContact CG2-CG2 4.33Å; V808-E810 HydrophobicContact CG1-CG 4.11Å; V808-V814 CarbonylContact O-C 3.53Å; V808-V814 WeakPolarHBondContact O-CA 3.07Å; V808-V814 WeakPolarHBondContact O-CG1 3.43Å; V808-S815 PolarHBondContact N-O 2.94Å; V808-S815 PolarHBondContact O-N 2.85Å; V808-I817 HydrophobicContact CB-CD1 4.15Å; V808-I817 HydrophobicContact CB-CG1 4.39Å; V808-I817 HydrophobicContact CG1-CD1 3.64Å; V808-I817 HydrophobicContact CG1-CG1 4.25Å
809	V	91.8	Very high	90.7	Very high	3 Å²	3	56 Å²	56	2%	0.018	30%	0.297	C	S	.	.			trans	-91.8	107.3	172.1	-174.5	0	0	0	0	109.6	F638 I653 V654 V659 K661 L664 V814	F638-V809 HydrophobicContact CE1-CG1 3.73Å; F638-V809 HydrophobicContact CZ-CG1 4.15Å; I653-V809 HydrophobicContact CG2-CG2 3.64Å; V654-V809 PolarHBondContact O-N 2.99Å; V659-V809 HydrophobicContact CG1-CB 3.77Å; V659-V809 HydrophobicContact CG1-CG1 3.78Å; V659-V809 HydrophobicContact CG2-CG1 4.08Å; V659-V809 WeakPolarHBondContact CG2-O 3.41Å; K661-V809 HydrophobicContact CG-CG2 4.35Å; L664-V809 HydrophobicContact CD2-CG2 4.34Å; V809-V814 HydrophobicContact CG2-CG1 4.32Å; V809-V814 HydrophobicContact CG2-CG2 4.33Å
810	E	87.1	Confident	90.5	Very high	79 Å²	79	60.1 Å²	60.1	37%	0.369	32%	0.319	S	S	.	.			trans	-149.8	173	-177.3	64.7	179	175.2	0	0	111	V808 Q812 S813 S815	V808-E810 HydrophobicContact CG1-CG 4.11Å; E810-Q812 PolarHBondContact O-N 3.3Å; E810-S813 CarbonylContact O-C 3.25Å; E810-S813 PolarHBondContact O-N 2.67Å; E810-S815 WeakPolarHBondContact OE1-CB 3.38Å; E810-S815 PolarHBondContact OE1-OG 3.04Å
811	E	85.3	Confident	90.4	Very high	183 Å²	183	57 Å²	57	86%	0.855	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.9	13.8	174.1	-59.9	-130.2	129.7	0	0	117.9
812	Q	90	Very high	90.2	Very high	37 Å²	37	55.5 Å²	55.5	17%	0.173	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	71.7	23.8	-168.6	-38.5	-173.7	-99.4	0	0	114.9	P636 L637 F638 K639 E810	P636-Q812 PolarHBondContact O-NE2 3.06Å; L637-Q812 VanDerWaalsContact O-CA 3.27Å; L637-Q812 WeakPolarHBondContact O-CA 3.39Å; L637-Q812 WeakPolarHBondContact O-CB 3.36Å; F638-Q812 CarbonylContact C-O 3.6Å; F638-Q812 WeakPolarHBondContact CA-O 3.05Å; K639-Q812 HydrophobicContact CD-CB 4.41Å; K639-Q812 VanDerWaalsContact CE-OE1 3.23Å; K639-Q812 HydrophobicContact CG-CB 4.43Å; K639-Q812 PolarHBondContact N-O 2.75Å; E810-Q812 PolarHBondContact O-N 3.3Å
813	S	92.3	Very high	90.2	Very high	42 Å²	42	58.5 Å²	58.5	29%	0.294	31%	0.309	S	S	.	.	S	Bend	trans	-134.6	-162.8	177.8	-163.5	0	0	0	0	110.2	E810	E810-S813 CarbonylContact O-C 3.25Å; E810-S813 PolarHBondContact O-N 2.67Å
814	V	93.8	Very high	90.2	Very high	13 Å²	13	52 Å²	52	8%	0.079	27%	0.274	C	S	.	.			trans	-134.4	126.4	164.7	-165.7	0	0	0	0	108	F638 L641 L664 W807 V808 V809	F638-V814 HydrophobicContact CE1-CG2 4.23Å; L641-V814 HydrophobicContact CD1-CB 4.09Å; L641-V814 HydrophobicContact CD1-CG2 3.75Å; L641-V814 HydrophobicContact CD2-CG2 3.92Å; L664-V814 HydrophobicContact CD2-CG2 3.66Å; W807-V814 HydrophobicContact CB-CG1 3.95Å; W807-V814 HydrophobicContact CE3-CB 4.48Å; W807-V814 HydrophobicContact CE3-CG1 3.93Å; V808-V814 CarbonylContact O-C 3.53Å; V808-V814 WeakPolarHBondContact O-CA 3.07Å; V808-V814 WeakPolarHBondContact O-CG1 3.43Å; V809-V814 HydrophobicContact CG2-CG1 4.32Å; V809-V814 HydrophobicContact CG2-CG2 4.33Å
815	S	91.7	Very high	90.1	Very high	41 Å²	41	53.1 Å²	53.1	29%	0.287	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	141.4	178.9	-48.7	0	0	0	0	109.7	W807 V808 E810	W807-S815 CarbonylContact C-O 3.54Å; W807-S815 VanDerWaalsContact CA-O 3.26Å; W807-S815 WeakPolarHBondContact CA-O 3.25Å; V808-S815 PolarHBondContact N-O 2.94Å; V808-S815 PolarHBondContact O-N 2.85Å; E810-S815 WeakPolarHBondContact OE1-CB 3.38Å; E810-S815 PolarHBondContact OE1-OG 3.04Å
816	Q	92.2	Very high	90	Very high	89 Å²	89	53.6 Å²	53.6	42%	0.416	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	140.2	166.2	-177.3	177.1	-24.4	0	0	109.4	W807	W807-Q816 HydrophobicContact CD2-CB 4.07Å; W807-Q816 HydrophobicContact CE3-CB 4.24Å; W807-Q816 HydrophobicContact CH2-CB 4.2Å; W807-Q816 HydrophobicContact CZ2-CB 4.01Å; W807-Q816 HydrophobicContact CZ2-CG 4.25Å; W807-Q816 HydrophobicContact CZ3-CB 4.31Å
817	I	90.7	Very high	89.8	Confident	24 Å²	24	57.8 Å²	57.8	12%	0.123	30%	0.295	C	S	.	.			trans	-90.4	123.1	171.4	-59.3	-62.4	0	0	0	109.1	L806 V808 G819 Y824	L806-I817 HydrophobicContact CB-CB 4.03Å; L806-I817 HydrophobicContact CB-CG1 4.12Å; L806-I817 PolarHBondContact O-N 2.88Å; V808-I817 HydrophobicContact CB-CD1 4.15Å; V808-I817 HydrophobicContact CB-CG1 4.39Å; V808-I817 HydrophobicContact CG1-CD1 3.64Å; V808-I817 HydrophobicContact CG1-CG1 4.25Å; I817-G819 VanDerWaalsContact C-N 3.26Å; I817-G819 PolarHBondContact O-N 3.15Å; I817-G819 VanDerWaalsContact O-N 3.08Å; I817-Y824 HydrophobicContact CD1-CD2 4.22Å; I817-Y824 HydrophobicContact CD1-CE2 4.43Å; I817-Y824 HydrophobicContact CG1-CD2 4.15Å
818	D	85.6	Confident	89.6	Confident	160 Å²	160	56.3 Å²	56.3	86%	0.856	29%	0.29	S	S	*	.	S	Bend	trans	-83.2	63.9	174.5	-75.5	-27.9	0	0	0	111
819	G	86.8	Confident	89.4	Confident	34 Å²	34	56 Å²	56	35%	0.351	29%	0.289	S	S	.	.	S	Bend	trans	-174.3	-177.6	-177.6	0	0	0	0	0	113.4	I817	I817-G819 VanDerWaalsContact C-N 3.26Å; I817-G819 PolarHBondContact O-N 3.15Å; I817-G819 VanDerWaalsContact O-N 3.08Å
820	D	87.6	Confident	89.4	Confident	89 Å²	89	62.4 Å²	62.4	48%	0.476	32%	0.318	S	S	.	.			trans	-95.1	-171.5	173.9	80.5	12	0	0	0	112.8	D822 D823 Y824	D820-D822 WeakPolarHBondContact OD1-CA 3.39Å; D820-D822 PolarHBondContact OD1-N 2.54Å; D820-D823 PolarHBondContact OD1-N 3.19Å; D820-Y824 PolarHBondContact O-N 2.97Å; D820-Y824 VanDerWaalsContact O-N 3.15Å
821	F	87.3	Confident	89.5	Confident	18 Å²	18	62.9 Å²	62.9	8%	0.079	34%	0.335	C	S	.	.	H	α-helix	trans	-65.2	-39.8	177.5	-175.4	-85.1	0	0	0	113.7	L481 I485 A796 I799 D823 Y824 K825	L481-F821 HydrophobicContact CD1-CE2 3.71Å; L481-F821 HydrophobicContact CD1-CZ 3.85Å; L481-F821 HydrophobicContact CD2-CE2 3.85Å; L481-F821 HydrophobicContact CG-CE2 4.21Å; L481-F821 HydrophobicContact CG-CZ 4.48Å; I485-F821 HydrophobicContact CD1-CZ 4.19Å; I485-F821 HydrophobicContact CG1-CZ 4.33Å; A796-F821 HydrophobicContact CB-CD1 4.2Å; A796-F821 HydrophobicContact CB-CE1 3.45Å; A796-F821 VanDerWaalsContact CB-CE1 3.45Å; A796-F821 HydrophobicContact CB-CE2 3.79Å; A796-F821 HydrophobicContact CB-CZ 3.22Å; I799-F821 HydrophobicContact CB-CD2 4.38Å; I799-F821 HydrophobicContact CD1-CD2 4.43Å; I799-F821 HydrophobicContact CD1-CE2 4.15Å; I799-F821 HydrophobicContact CG2-CD2 4.13Å; F821-D823 VanDerWaalsContact C-N 3.33Å; F821-Y824 PolarHBondContact O-N 3.33Å; F821-K825 HydrophobicContact CE1-CB 4.28Å; F821-K825 HydrophobicContact CE1-CD 4.25Å; F821-K825 VanDerWaalsContact O-CB 3.23Å; F821-K825 WeakPolarHBondContact O-CB 3.46Å; F821-K825 PolarHBondContact O-N 2.97Å
822	D	87.8	Confident	89.5	Confident	52 Å²	52	57.2 Å²	57.2	28%	0.278	31%	0.311	S	S	.	.	H	α-helix	trans	-74.3	-25	-179	-96.8	-16.4	0	0	0	111.3	D820 K825 R826 R841	D820-D822 WeakPolarHBondContact OD1-CA 3.39Å; D820-D822 PolarHBondContact OD1-N 2.54Å; D822-K825 VanDerWaalsContact OD1-CD 3.3Å; D822-K825 WeakPolarHBondContact OD1-CD 3.09Å; D822-K825 IonicContact OD1-NZ 3.59Å; D822-R826 PolarHBondContact O-N 3.21Å; D822-R841 IonicContact OD2-NH2 2.91Å; D822-R841 PolarHBondContact OD2-NH2 2.89Å
823	D	90.1	Very high	89.4	Confident	65 Å²	65	58.7 Å²	58.7	35%	0.348	34%	0.336	S	S	.	.	H	α-helix	trans	-70.1	-48.9	167.3	-74.9	-40	0	0	0	112	D820 F821 K825 R826 E827	D820-D823 PolarHBondContact OD1-N 3.19Å; F821-D823 VanDerWaalsContact C-N 3.33Å; D823-K825 VanDerWaalsContact C-N 3.28Å; D823-K825 PolarHBondContact O-N 2.86Å; D823-R826 WeakPolarHBondContact O-CA 3.24Å; D823-R826 VanDerWaalsContact O-CB 3.32Å; D823-R826 WeakPolarHBondContact O-CB 3.21Å; D823-R826 PolarHBondContact O-N 3.48Å; D823-R826 IonicContact OD1-CZ 2.65Å; D823-R826 IonicContact OD1-NH1 2.62Å; D823-R826 PolarHBondContact OD1-NH1 3.45Å; D823-R826 IonicContact OD1-NH2 3.38Å; D823-R826 PolarHBondContact OD1-NH2 3.23Å; D823-E827 PolarHBondContact O-N 3.31Å
824	Y	90	Very high	89.2	Confident	4 Å²	4	57.6 Å²	57.6	2%	0.016	33%	0.326	C	S	.	.	H	α-helix	trans	-60.7	-37.8	174.3	-176.4	-107.6	0	0	0	112.2	L481 N482 I485 V654 L806 I817 D820 F821 R826 E827 V828	L481-Y824 HydrophobicContact CD2-CD1 4.19Å; L481-Y824 HydrophobicContact CD2-CE1 3.94Å; N482-Y824 PolarHBondContact ND2-OH 3.17Å; I485-Y824 HydrophobicContact CD1-CD1 4.4Å; V654-Y824 HydrophobicContact CB-CE1 4.2Å; V654-Y824 HydrophobicContact CG2-CE1 4.07Å; V654-Y824 HydrophobicContact CG2-CE2 4.03Å; L806-Y824 HydrophobicContact CD2-CD1 3.77Å; L806-Y824 HydrophobicContact CD2-CD2 4.44Å; L806-Y824 HydrophobicContact CD2-CG 3.67Å; I817-Y824 HydrophobicContact CD1-CD2 4.22Å; I817-Y824 HydrophobicContact CD1-CE2 4.43Å; I817-Y824 HydrophobicContact CG1-CD2 4.15Å; D820-Y824 PolarHBondContact O-N 2.97Å; D820-Y824 VanDerWaalsContact O-N 3.15Å; F821-Y824 PolarHBondContact O-N 3.33Å; Y824-R826 VanDerWaalsContact C-N 3.25Å; Y824-R826 PolarHBondContact O-N 2.74Å; Y824-E827 PolarHBondContact O-N 2.93Å; Y824-V828 HydrophobicContact CD1-CG2 4.18Å; Y824-V828 HydrophobicContact CE1-CG2 3.74Å; Y824-V828 HydrophobicContact CE2-CG2 4.12Å; Y824-V828 WeakPolarHBondContact O-CG2 3.3Å; Y824-V828 PolarHBondContact O-N 3.44Å
825	K	89.3	Confident	88.8	Confident	34 Å²	34	62.8 Å²	62.8	15%	0.148	36%	0.358	C	S	.	.	H	α-helix	trans	-58.4	-36.7	172.8	-175.8	-175.5	-172.8	173.3	0	112.2	I485 D510 F821 D822 D823 L829 M836	I485-K825 HydrophobicContact CD1-CB 4.45Å; I485-K825 HydrophobicContact CG1-CG 4.31Å; I485-K825 HydrophobicContact CG2-CG 3.86Å; D510-K825 IonicContact OD2-NZ 3.5Å; F821-K825 HydrophobicContact CE1-CB 4.28Å; F821-K825 HydrophobicContact CE1-CD 4.25Å; F821-K825 VanDerWaalsContact O-CB 3.23Å; F821-K825 WeakPolarHBondContact O-CB 3.46Å; F821-K825 PolarHBondContact O-N 2.97Å; D822-K825 VanDerWaalsContact OD1-CD 3.3Å; D822-K825 WeakPolarHBondContact OD1-CD 3.09Å; D822-K825 IonicContact OD1-NZ 3.59Å; D823-K825 VanDerWaalsContact C-N 3.28Å; D823-K825 PolarHBondContact O-N 2.86Å; K825-L829 VanDerWaalsContact O-CG 3.31Å; K825-L829 WeakPolarHBondContact O-CG 3.24Å; K825-L829 PolarHBondContact O-N 3.1Å; K825-M836 HydrophobicContact CD-CE 4.17Å
826	R	90.1	Very high	88.3	Confident	107 Å²	107	63.9 Å²	63.9	40%	0.404	36%	0.359	S	S	.	.	H	α-helix	trans	-71.5	-48.7	176.2	-165.1	-173.5	-49.5	125.5	23.9	111.2	D822 D823 Y824 V828 L829 E830	D822-R826 PolarHBondContact O-N 3.21Å; D823-R826 WeakPolarHBondContact O-CA 3.24Å; D823-R826 VanDerWaalsContact O-CB 3.32Å; D823-R826 WeakPolarHBondContact O-CB 3.21Å; D823-R826 PolarHBondContact O-N 3.48Å; D823-R826 IonicContact OD1-CZ 2.65Å; D823-R826 IonicContact OD1-NH1 2.62Å; D823-R826 PolarHBondContact OD1-NH1 3.45Å; D823-R826 IonicContact OD1-NH2 3.38Å; D823-R826 PolarHBondContact OD1-NH2 3.23Å; Y824-R826 VanDerWaalsContact C-N 3.25Å; Y824-R826 PolarHBondContact O-N 2.74Å; R826-V828 VanDerWaalsContact C-N 3.32Å; R826-V828 PolarHBondContact O-N 3.13Å; R826-L829 PolarHBondContact O-N 3.16Å; R826-L829 VanDerWaalsContact O-N 3.08Å; R826-E830 WeakPolarHBondContact CD-OE1 3.32Å; R826-E830 HydrophobicContact CG-CG 4.36Å; R826-E830 WeakPolarHBondContact CG-OE1 2.88Å; R826-E830 WeakPolarHBondContact O-CG 3.31Å; R826-E830 PolarHBondContact O-N 2.91Å
827	E	90.6	Very high	87.8	Confident	91 Å²	91	62.6 Å²	62.6	43%	0.425	36%	0.357	S	S	.	.	H	α-helix	trans	-52.9	-47.9	177.4	-169.8	-162	134.1	0	0	111.8	D823 Y824 L829 E830 A831	D823-E827 PolarHBondContact O-N 3.31Å; Y824-E827 PolarHBondContact O-N 2.93Å; E827-L829 PolarHBondContact O-N 3.1Å; E827-E830 PolarHBondContact O-N 2.88Å; E827-A831 VanDerWaalsContact O-CB 3.3Å; E827-A831 WeakPolarHBondContact O-CB 3.29Å; E827-A831 PolarHBondContact O-N 3.2Å
828	V	89.4	Confident	86.7	Confident	9 Å²	9	67.9 Å²	67.9	6%	0.055	39%	0.386	C	S	.	.	H	α-helix	trans	-62.4	-38.1	177.9	170.5	0	0	0	0	112.7	N482 I485 Y824 R826 L832	N482-V828 HydrophobicContact CB-CG1 4Å; N482-V828 WeakPolarHBondContact ND2-CG2 3.45Å; I485-V828 HydrophobicContact CG2-CG1 4.17Å; Y824-V828 HydrophobicContact CD1-CG2 4.18Å; Y824-V828 HydrophobicContact CE1-CG2 3.74Å; Y824-V828 HydrophobicContact CE2-CG2 4.12Å; Y824-V828 WeakPolarHBondContact O-CG2 3.3Å; Y824-V828 PolarHBondContact O-N 3.44Å; R826-V828 VanDerWaalsContact C-N 3.32Å; R826-V828 PolarHBondContact O-N 3.13Å; V828-L832 HydrophobicContact CG1-CD1 4.37Å; V828-L832 WeakPolarHBondContact O-CD1 3.4Å; V828-L832 WeakPolarHBondContact O-CG 3.27Å; V828-L832 PolarHBondContact O-N 3.04Å
829	L	89.3	Confident	85.3	Confident	3 Å²	3	65.1 Å²	65.1	2%	0.016	36%	0.363	C	S	.	.	H	α-helix	trans	-74.7	-40.2	178.1	-70	171.9	0	0	0	111.8	I485 N489 K825 R826 E827 L832 G833 E834 M836	I485-L829 HydrophobicContact CG2-CD1 4.35Å; I485-L829 HydrophobicContact CG2-CD2 4.11Å; I485-L829 HydrophobicContact CG2-CG 3.96Å; N489-L829 HydrophobicContact CB-CD2 4.05Å; K825-L829 VanDerWaalsContact O-CG 3.31Å; K825-L829 WeakPolarHBondContact O-CG 3.24Å; K825-L829 PolarHBondContact O-N 3.1Å; R826-L829 PolarHBondContact O-N 3.16Å; R826-L829 VanDerWaalsContact O-N 3.08Å; E827-L829 PolarHBondContact O-N 3.1Å; L829-L832 CarbonylContact O-C 3.51Å; L829-L832 PolarHBondContact O-N 2.77Å; L829-G833 PolarHBondContact O-N 2.84Å; L829-G833 VanDerWaalsContact O-N 3.14Å; L829-E834 HydrophobicContact CB-CB 4.47Å; L829-E834 HydrophobicContact CD2-CB 4.03Å; L829-E834 PolarHBondContact O-N 2.97Å; L829-M836 HydrophobicContact CD1-CB 4.01Å; L829-M836 HydrophobicContact CD1-CG 3.95Å
830	E	90.9	Very high	83	Confident	137 Å²	137	68.5 Å²	68.5	64%	0.64	38%	0.379	S	S	*	.	H	α-helix	trans	-64.5	-41.6	176	-72.4	-177.1	-166.8	0	0	111.6	R826 E827 L832 G833	R826-E830 WeakPolarHBondContact CD-OE1 3.32Å; R826-E830 HydrophobicContact CG-CG 4.36Å; R826-E830 WeakPolarHBondContact CG-OE1 2.88Å; R826-E830 WeakPolarHBondContact O-CG 3.31Å; R826-E830 PolarHBondContact O-N 2.91Å; E827-E830 PolarHBondContact O-N 2.88Å; E830-L832 PolarHBondContact O-N 3.07Å; E830-G833 PolarHBondContact O-N 2.82Å
831	A	88.6	Confident	80.5	Confident	88 Å²	88	75 Å²	75	73%	0.727	40%	0.397	S	S	*	.	H	α-helix	trans	-62.3	-27.9	174.2	0	0	0	0	0	113.6	E827	E827-A831 VanDerWaalsContact O-CB 3.3Å; E827-A831 WeakPolarHBondContact O-CB 3.29Å; E827-A831 PolarHBondContact O-N 3.2Å
832	L	86.4	Confident	77.8	Confident	65 Å²	65	84.9 Å²	84.9	34%	0.34	45%	0.451	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.9	-6.3	173.6	-70.4	170.8	0	0	0	113.5	W486 V828 L829 E830 E834	W486-L832 HydrophobicContact CB-CD1 4.15Å; W486-L832 HydrophobicContact CG-CD1 4.24Å; V828-L832 HydrophobicContact CG1-CD1 4.37Å; V828-L832 WeakPolarHBondContact O-CD1 3.4Å; V828-L832 WeakPolarHBondContact O-CG 3.27Å; V828-L832 PolarHBondContact O-N 3.04Å; L829-L832 CarbonylContact O-C 3.51Å; L829-L832 PolarHBondContact O-N 2.77Å; E830-L832 PolarHBondContact O-N 3.07Å; L832-E834 HydrophobicContact CB-CB 4.38Å; L832-E834 HydrophobicContact CB-CG 3.9Å; L832-E834 PolarHBondContact O-N 2.93Å
833	G	87.1	Confident	77.3	Confident	68 Å²	68	86.5 Å²	86.5	70%	0.701	46%	0.459	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.9	24.5	-172.9	0	0	0	0	0	113.5	L829 E830	L829-G833 PolarHBondContact O-N 2.84Å; L829-G833 VanDerWaalsContact O-N 3.14Å; E830-G833 PolarHBondContact O-N 2.82Å
834	E	87.4	Confident	76.6	Confident	19 Å²	19	87.6 Å²	87.6	9%	0.089	47%	0.465	C	S	.	.	P	Polyproline II helix	trans	-95	135.4	-175.7	-74.3	-76.6	-169.7	0	0	111.5	R430 W486 L829 L832 M836	R430-E834 IonicContact CZ-OE1 3.19Å; R430-E834 IonicContact CZ-OE2 3.95Å; R430-E834 IonicContact NE-OE1 2.8Å; R430-E834 PolarHBondContact NE-OE1 2.99Å; R430-E834 IonicContact NE-OE2 3.7Å; R430-E834 IonicContact NH2-OE1 3.91Å; R430-E834 PolarHBondContact NH2-OE1 3.02Å; R430-E834 IonicContact NH2-OE2 3.82Å; R430-E834 PolarHBondContact NH2-OE2 3.27Å; W486-E834 PolarHBondContact NE1-OE1 2.8Å; L829-E834 HydrophobicContact CB-CB 4.47Å; L829-E834 HydrophobicContact CD2-CB 4.03Å; L829-E834 PolarHBondContact O-N 2.97Å; L832-E834 HydrophobicContact CB-CB 4.38Å; L832-E834 HydrophobicContact CB-CG 3.9Å; L832-E834 PolarHBondContact O-N 2.93Å; E834-M836 PolarHBondContact O-N 3.38Å
835	V	87	Confident	75.9	Confident	122 Å²	122	92.3 Å²	92.3	74%	0.739	49%	0.49	S	S	*	.	P	Polyproline II helix	trans	-79.3	121.8	176	-178	0	0	0	0	109	N489 V837	N489-V835 PolarHBondContact ND2-O 2.98Å; V835-V837 PolarHBondContact O-N 2.91Å
836	M	81.1	Confident	75.1	Confident	63 Å²	63	95.7 Å²	95.7	31%	0.31	51%	0.51	S	S	.	.	P	Polyproline II helix	trans	-63.3	124.5	173.8	-171.6	173.1	-175.9	0	0	110.5	K825 L829 E834 N838	K825-M836 HydrophobicContact CD-CE 4.17Å; L829-M836 HydrophobicContact CD1-CB 4.01Å; L829-M836 HydrophobicContact CD1-CG 3.95Å; E834-M836 PolarHBondContact O-N 3.38Å; M836-N838 PolarHBondContact O-N 3.04Å
837	V	81.1	Confident	74.2	Confident	62 Å²	62	95 Å²	95	38%	0.376	52%	0.517	S	S	.	.			trans	-77.6	92.4	178.5	-179.9	0	0	0	0	109	N489 Q492 V835 R839	N489-V837 WeakPolarHBondContact OD1-CG2 3.38Å; N489-V837 PolarHBondContact OD1-N 3.08Å; Q492-V837 HydrophobicContact CB-CB 4.38Å; Q492-V837 HydrophobicContact CB-CG1 4.12Å; V835-V837 PolarHBondContact O-N 2.91Å; V837-R839 PolarHBondContact O-N 3.23Å
838	N	67.6	Low	73.1	Confident	136 Å²	136	95.3 Å²	95.3	73%	0.727	52%	0.523	S	S	*	.			trans	-67.5	102.3	172.5	-75.8	-10.2	0	0	0	110.6	M836	M836-N838 PolarHBondContact O-N 3.04Å
839	R	57.1	Low	71.9	Confident	101 Å²	101	101.4 Å²	101.4	38%	0.381	56%	0.556	S	S	.	*			trans	-62.9	138.1	150.3	-75.9	-177	170.1	-167.8	-2.5	108.4	D509 D510 V837 R841	D509-R839 PolarHBondContact O-NH1 3.29Å; D509-R839 PolarHBondContact O-NH2 3.41Å; D510-R839 VanDerWaalsContact O-CZ 3.27Å; D510-R839 PolarHBondContact O-NH2 2.61Å; V837-R839 PolarHBondContact O-N 3.23Å; R839-R841 PolarHBondContact O-N 2.95Å
840	P	36.8	Very low	70.6	Confident	106 Å²	106	109 Å²	109	69%	0.688	60%	0.598	S	S	*	*			trans	-59.7	134.1	155.7	28.4	-32	0	0	0	108.3	D842	P840-D842 PolarHBondContact O-N 2.69Å
841	R	35.4	Very low	68.9	Low	224 Å²	224	106.7 Å²	106.7	85%	0.845	59%	0.594	S	S	*	*			trans	-78	106.6	162.4	-71.9	-176.8	178.2	172.3	1.4	106.3	D822 R839	D822-R841 IonicContact OD2-NH2 2.91Å; D822-R841 PolarHBondContact OD2-NH2 2.89Å; R839-R841 PolarHBondContact O-N 2.95Å
842	D	30.6	Very low	67.1	Low	226 Å²	226	108.4 Å²	108.4	100%	1.209	58%	0.582	S	S	*	*			trans	-74.7	0	167	-72	-29.2	0	0	0	110.7	P840	P840-D842 PolarHBondContact O-N 2.69Å

Retrieved 842 of 842 residues in 865.6 ms (Link to these results)

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