A0A090N8H8_HUMAN Loading...

Nitric oxide synthase

Produces nitric oxide (NO) which is a messenger molecule with diverse functions.

AlphaFold DB , UniProt , Accession A0A090N8H8, Species HUMAN (Homo sapiens, Human), Gene NOS3, Length 1,203 aa.

						>A0A090N8H8_HUMAN|A0A090N8H8|NOS3
MGNLKSVAQEPGPPCGLGLGLGLGLCGKQGPATPAPEPSRAPASLLPPAPEHSPPSSPLTQPPEGPKFPRVKNWEVGSITYDTLSAQAQQDGPCTPRRCLGSLVFPRKLQGRPSPGPPAPEQLLSQARDFINQYYSSIKRSGSQAHEQRLQEVEAEVAATGTYQLRESELVFGAKQAWRNAPRCVGRIQWGKLQVFDARDCRSAQEMFTYICNHIKYATNRGNLRSAITVFPQRCPGRGDFRIWNSQLVRYAGYRQQDGSVRGDPANVEITELCIQHGWTPGNGRFDVLPLLLQAPDEPPELFLLPPELVLEVPLEHPTLEWFAALGLRWYALPAVSNMLLEIGGLEFPAAPFSGWYMSTEIGTRNLCDPHRYNILEDVAVCMDLDTRTTSSLWKDKAAVEINVAVLHSYQLAKVTIVDHHAATASFMKHLENEQKARGGCPADWAWIVPPISGSLTPVFHQEMVNYFLSPAFRYQPDPWKGSAAKGTGITRKKTFKEVANAVKISASLMGTVMAKRVKATILYGSETGRAQSYAQQLGRLFRKAFDPRVLCMDEYDVVSLEHETLVLVVTSTFGNGDPPENGESFAAALMEMSGPYNSSPRPEQHKSYKIRFNSISCSDPLVSSWRRKRKESSNTDSAGALGTLRFCVFGLGSRAYPHFCAFARAVDTRLEELGGERLLQLGQGDELCGQEEAFRGWAQAAFQAACETFCVGEDAKAAARDIFSPKRSWKRQRYRLSAQAEGLQLLPGLIHVHRRKMFQATIRSVENLQSSKSTRATILVRLDTGGQEGLQYQPGDHIGVCPPNRPGLVEALLSRVEDPPAPTEPVAVEQLEKGSPGGPPPGWVRDPRLPPCTLRQALTFFLDITSPPSPQLLRLLSTLAEEPREQQELEALSQDPRRYEEWKWFRCPTLLEVLEQFPSVALPAPLLLTQLPLLQPRYYSVSSAPSTHPGEIHLTVAVLAYRTQDGLGPLHYGVCSTWLSQLKPGDPVPCFIRGAPSFRLPPDPSLPCILVGPGTGIAPFRGFWQERLHDIESKGLQPTPMTLVFGCRCSQLDHLYRDEVQNAQQRGVFGRVLTAFSREPDNPKTYVQDILRTELAAEVHRVLCLERGHMFVCGDVTMATNVLQTVQRILATEGDMELDEAGDVIGVLRDQQRYHEDIFGLTLRTQEVTSRIRTQSFSLQERQLRGAVPWAFDPPGSDTNSP
					

Structure Viewer

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	31.7	Very low	29.9	Very low	248 Å²	248	149.1 Å²	149.1	100%	1.222	84%	0.839	S	S	*	*				0	143.4	0	-71	175	169.2	0	0	107.6
2	G	30.2	Very low	29.4	Very low	68 Å²	68	142.4 Å²	142.4	70%	0.701	83%	0.828	S	S	*	*			trans	77.1	140.2	-175	0	0	0	0	0	113
3	N	28.6	Very low	31.1	Very low	158 Å²	158	141.3 Å²	141.3	85%	0.845	83%	0.829	S	S	*	*			cis	69.6	135.2	27.9	-62.3	-12.4	0	0	0	113.9
4	L	29.9	Very low	32.7	Very low	152 Å²	152	138.9 Å²	138.9	80%	0.796	82%	0.819	S	S	*	*			cis	-150.8	-172.9	8.8	-123.3	163	0	0	0	113.1
5	K	31.8	Very low	32.2	Very low	177 Å²	177	138.5 Å²	138.5	77%	0.77	82%	0.824	S	S	*	*			trans	-98.1	157.1	-166.8	-58.4	168.5	176.3	176.8	0	115.2
6	S	28.6	Very low	31.8	Very low	111 Å²	111	134 Å²	134	78%	0.776	82%	0.816	S	S	*	*			trans	62.2	163.4	148.4	56	0	0	0	0	117.3
7	V	27.6	Very low	31.5	Very low	124 Å²	124	137.4 Å²	137.4	75%	0.752	83%	0.827	S	S	*	*			cis	-150.7	124.9	29.1	169.7	0	0	0	0	106.7
8	A	27.1	Very low	31.2	Very low	88 Å²	88	133.1 Å²	133.1	73%	0.727	82%	0.815	S	S	*	*				89.2	152.4	74.9	0	0	0	0	0	117.1
9	Q	28.1	Very low	31.1	Very low	192 Å²	192	135.9 Å²	135.9	90%	0.897	82%	0.824	S	S	*	*			trans	72.8	128.3	169.7	-67.9	-178.3	-47.2	0	0	121.1
10	E	28.4	Very low	31	Very low	191 Å²	191	132.7 Å²	132.7	89%	0.893	82%	0.82	S	S	*	*			trans	-127.7	151	157	-75.7	-170	139.5	0	0	110
11	P	36.9	Very low	31	Very low	131 Å²	131	134.4 Å²	134.4	85%	0.851	82%	0.823	S	S	*	*			trans	-96.6	-175.3	174.1	39.8	-35.4	0	0	0	113.2
12	G	23.9	Very low	30.6	Very low	69 Å²	69	125.6 Å²	125.6	71%	0.711	80%	0.795	S	S	*	*			trans	-101.1	-140.2	-175	0	0	0	0	0	117.2
13	P	51.3	Low	30.8	Very low	128 Å²	128	130.6 Å²	130.6	83%	0.831	81%	0.805	S	S	*	*			trans	-105.6	-155.6	-133.6	46.8	-41	0	0	0	112.5
14	P	52.9	Low	30.7	Very low	108 Å²	108	126.4 Å²	126.4	70%	0.701	80%	0.799	S	S	*	*			cis	-138.7	-160.3	-4.7	39.6	-17	0	0	0	115.6
15	C	26.3	Very low	30.9	Very low	132 Å²	132	126.9 Å²	126.9	89%	0.892	80%	0.802	S	S	*	*			trans	73.9	152	164.3	-62.6	0	0	0	0	118.5
16	G	25.2	Very low	30.8	Very low	67 Å²	67	124.6 Å²	124.6	69%	0.691	81%	0.807	S	S	*	*			cis	167.5	171.2	-9.4	0	0	0	0	0	114
17	L	27.3	Very low	30.8	Very low	192 Å²	192	122.6 Å²	122.6	100%	1.005	80%	0.804	S	S	*	*			trans	66.8	151.6	169.2	-60.2	160.8	0	0	0	117.9
18	G	25.8	Very low	31.1	Very low	60 Å²	60	126.4 Å²	126.4	62%	0.619	81%	0.81	S	S	*	*			cis	167	168.1	-9	0	0	0	0	0	114.2
19	L	29.5	Very low	31.3	Very low	186 Å²	186	131.5 Å²	131.5	97%	0.974	82%	0.819	S	S	*	*			trans	72.2	138.4	174.7	-53.1	168.8	0	0	0	116.5
20	G	28	Very low	31.3	Very low	72 Å²	72	125.9 Å²	125.9	74%	0.742	81%	0.813	S	S	*	*			cis	-161.1	-156.1	-2.1	0	0	0	0	0	109.4
21	L	30.9	Very low	33.1	Very low	169 Å²	169	123 Å²	123	89%	0.885	81%	0.811	S	S	*	*			cis	-168.7	157.2	-8.8	-129.4	176.8	0	0	0	109.6
22	G	25.2	Very low	32.8	Very low	62 Å²	62	121.8 Å²	121.8	64%	0.639	81%	0.811	S	S	*	*			trans	101.5	105.8	172.5	0	0	0	0	0	114.8
23	L	32.9	Very low	33.4	Very low	173 Å²	173	125 Å²	125	91%	0.906	82%	0.818	S	S	*	*				81.4	129.3	55.9	-65.7	170.9	0	0	0	113.6
24	G	28.1	Very low	33.3	Very low	71 Å²	71	125 Å²	125	73%	0.732	82%	0.817	S	S	*	*			cis	-155.6	-160.8	-2.1	0	0	0	0	0	110.6
25	L	32.1	Very low	32.5	Very low	162 Å²	162	124.1 Å²	124.1	85%	0.848	82%	0.819	S	S	*	*			cis	-158	152.1	11.2	-97	166.9	0	0	0	111
26	C	29.9	Very low	33.6	Very low	129 Å²	129	124.1 Å²	124.1	87%	0.872	82%	0.817	S	S	*	*			trans	50.2	145.8	158.5	-63	0	0	0	0	122.4
27	G	29	Very low	33.9	Very low	69 Å²	69	129.5 Å²	129.5	71%	0.711	83%	0.825	S	S	*	*			cis	171.6	119.9	-9.9	0	0	0	0	0	116.7
28	K	34.8	Very low	35.4	Very low	203 Å²	203	125.3 Å²	125.3	88%	0.883	81%	0.809	S	S	*	*			trans	38	134.9	152.5	-62.3	-177.4	177.3	-179.5	0	122.3
29	Q	30.8	Very low	35.7	Very low	195 Å²	195	127.5 Å²	127.5	91%	0.911	82%	0.815	S	S	*	*				179.2	152.4	99.3	-95.6	-171.9	47.2	0	0	114.7
30	G	28.5	Very low	35.8	Very low	75 Å²	75	130 Å²	130	77%	0.773	81%	0.812	S	S	*	*			trans	87.4	123.8	146.6	0	0	0	0	0	120.8
31	P	66.4	Low	36.1	Very low	131 Å²	131	130.6 Å²	130.6	85%	0.851	81%	0.809	S	S	*	*			trans	-126.7	155	173.3	40.2	-28.1	0	0	0	116
32	A	30.3	Very low	37.3	Very low	104 Å²	104	128.3 Å²	128.3	86%	0.86	81%	0.805	S	S	*	*			trans	-174.1	153.5	150.8	0	0	0	0	0	114.2
33	T	36.7	Very low	38	Very low	138 Å²	138	129.6 Å²	129.6	85%	0.847	81%	0.809	S	S	*	*			trans	-112.4	167.6	160.7	25.1	0	0	0	0	108.8
34	P	49.6	Very low	37.8	Very low	127 Å²	127	126.7 Å²	126.7	83%	0.825	80%	0.803	S	S	*	*			cis	-142.9	-158.6	35.2	42.4	-19.9	0	0	0	116.1
35	A	35.3	Very low	38.4	Very low	90 Å²	90	130.2 Å²	130.2	74%	0.744	81%	0.805	S	S	*	*			trans	-97.7	169.2	179.1	0	0	0	0	0	113.5
36	P	49.6	Very low	38.2	Very low	131 Å²	131	129.5 Å²	129.5	85%	0.851	80%	0.801	S	S	*	*				-153.2	-159.9	86.4	42.4	-21.3	0	0	0	117.3
37	E	31.8	Very low	39	Very low	180 Å²	180	128.4 Å²	128.4	84%	0.841	79%	0.792	S	S	*	*			trans	-86.9	-158.5	-169.1	-59.6	-174.1	141.5	0	0	117.1
38	P	59.2	Low	40.2	Very low	105 Å²	105	130.6 Å²	130.6	68%	0.682	79%	0.794	S	S	*	*			cis	-136.4	-178.3	-46.2	28.6	-7.8	0	0	0	117.2
39	S	31.9	Very low	40	Very low	106 Å²	106	125.5 Å²	125.5	74%	0.741	79%	0.789	S	S	*	*			trans	83	164.8	152.5	83.7	0	0	0	0	118.7
40	R	30.9	Very low	40.7	Very low	239 Å²	239	122 Å²	122	90%	0.902	78%	0.783	S	S	*	*			cis	-161.4	179.8	27.4	-143.9	178.4	-163.3	178.2	5.3	114.3
41	A	35	Very low	40.9	Very low	84 Å²	84	126.5 Å²	126.5	69%	0.694	78%	0.784	S	S	*	*			trans	-128.1	-161.4	172.6	0	0	0	0	0	110.2
42	P	55.3	Low	39.2	Very low	121 Å²	121	129.1 Å²	129.1	79%	0.786	79%	0.785	S	S	*	*			cis	-151.5	171	19.8	46.8	-25.5	0	0	0	121.2
43	A	40.5	Very low	39.1	Very low	89 Å²	89	129.3 Å²	129.3	74%	0.736	78%	0.78	S	S	*	*			trans	62.2	144.8	133.4	0	0	0	0	0	128.2
44	S	28.4	Very low	39.7	Very low	112 Å²	112	128.2 Å²	128.2	78%	0.783	78%	0.775	S	S	*	*			trans	-156.3	148.5	143.3	47.3	0	0	0	0	108
45	L	39.9	Very low	39.7	Very low	145 Å²	145	127.6 Å²	127.6	76%	0.759	77%	0.771	S	S	*	*			cis	99.4	132	8	-53.1	171.6	0	0	0	115.2
46	L	29.3	Very low	39.4	Very low	146 Å²	146	128.7 Å²	128.7	76%	0.764	77%	0.774	S	S	*	*			cis	-146.9	-79.7	1.5	-124.1	168.1	0	0	0	120
47	P	46	Very low	38.5	Very low	106 Å²	106	128 Å²	128	69%	0.688	77%	0.772	S	S	*	*			trans	-137.2	-178.6	-136.6	45.6	-28.8	0	0	0	119.1
48	P	54	Low	38.8	Very low	115 Å²	115	125.3 Å²	125.3	75%	0.747	77%	0.77	S	S	*	*				-146.1	169.6	-55.6	44	-26.9	0	0	0	117.9
49	A	30.3	Very low	37.7	Very low	96 Å²	96	128.6 Å²	128.6	79%	0.793	78%	0.781	S	S	*	*			trans	68.8	163.5	148.1	0	0	0	0	0	121.7
50	P	46.8	Very low	38	Very low	121 Å²	121	130.1 Å²	130.1	79%	0.786	79%	0.786	S	S	*	*			cis	-130.2	175.7	-4.3	40.9	-23.5	0	0	0	118.2
51	E	31.7	Very low	38.5	Very low	170 Å²	170	127 Å²	127	79%	0.794	78%	0.781	S	S	*	*			trans	-11.9	138.4	166.9	-54.3	179.8	153.4	0	0	124.7
52	H	31.8	Very low	38.6	Very low	187 Å²	187	128.4 Å²	128.4	87%	0.866	78%	0.783	S	S	*	*				177.8	168.3	115.3	-94.8	-59.8	0	0	0	113
53	S	26.4	Very low	38.1	Very low	107 Å²	107	128.7 Å²	128.7	75%	0.748	79%	0.785	S	S	*	*			trans	-164.9	176.7	-176	68.1	0	0	0	0	111.5
54	P	49.2	Very low	38.3	Very low	115 Å²	115	132.6 Å²	132.6	75%	0.747	79%	0.788	S	S	*	*			cis	-123.2	-143	-23.9	44.2	-27.8	0	0	0	109.1
55	P	50.6	Low	38.9	Very low	115 Å²	115	129.9 Å²	129.9	75%	0.747	78%	0.779	S	S	*	*			cis	-126.1	156.2	-31.6	37.5	-22.5	0	0	0	114.6
56	S	29	Very low	39.3	Very low	113 Å²	113	127.3 Å²	127.3	79%	0.79	77%	0.77	S	S	*	*			trans	-159.7	94.8	157.2	64.4	0	0	0	0	115
57	S	31.5	Very low	41.2	Very low	117 Å²	117	128.9 Å²	128.9	82%	0.818	77%	0.771	S	S	*	*			trans	59.7	159.6	157.6	-61.1	0	0	0	0	120
58	P	37.5	Very low	43	Very low	123 Å²	123	127.4 Å²	127.4	80%	0.799	75%	0.754	S	S	*	*	P	Polyproline II helix	trans	-75.1	143	-173.6	-15.1	31.1	0	0	0	113.3
59	L	36.7	Very low	44.5	Very low	174 Å²	174	124.3 Å²	124.3	91%	0.911	73%	0.734	S	S	*	*	P	Polyproline II helix	trans	-60.2	136.7	167.4	-80.4	162.4	0	0	0	110.7
60	T	38.1	Very low	47.5	Very low	138 Å²	138	125.8 Å²	125.8	85%	0.847	72%	0.719	S	S	*	*	P	Polyproline II helix	trans	-62.6	149.4	-176.3	-6.1	0	0	0	0	112.3
61	Q	41.6	Very low	49.6	Very low	172 Å²	172	120.7 Å²	120.7	80%	0.804	69%	0.685	S	S	*	*	P	Polyproline II helix	trans	-56.9	152.6	165.4	-71.4	176.5	-22	0	0	110.5
62	P	36.8	Very low	52.6	Low	114 Å²	114	114.5 Å²	114.5	74%	0.74	66%	0.656	S	S	*	*	P	Polyproline II helix	trans	-56.5	142.3	170.5	26.3	-34.9	0	0	0	109.9
63	P	43.6	Very low	55.6	Low	127 Å²	127	106 Å²	106	83%	0.825	62%	0.617	S	S	*	*	P	Polyproline II helix	trans	-59.9	140.8	-175.5	24.6	-34	0	0	0	111.3
64	E	45.2	Very low	58.8	Low	171 Å²	171	108.2 Å²	108.2	80%	0.799	61%	0.609	S	S	*	*	P	Polyproline II helix	trans	-60	157.5	-175.2	-60	177.1	119.8	0	0	112.7
65	G	41.4	Very low	60.8	Low	56 Å²	56	108.6 Å²	108.6	58%	0.577	60%	0.6	S	S	*	*	S	Bend	trans	-60.8	173.6	171.1	0	0	0	0	0	113.1	K67	G65-K67 PolarHBondContact O-N 3.19Å
66	P	47.5	Very low	62.8	Low	90 Å²	90	108.2 Å²	108.2	58%	0.584	60%	0.596	S	S	*	*	P	Polyproline II helix	trans	-54.8	125.7	-174.9	22.3	-33.6	0	0	0	111.9	F68 Y81	P66-F68 PolarHBondContact O-N 2.96Å; P66-Y81 HydrophobicContact CB-CD1 4.32Å; P66-Y81 HydrophobicContact CB-CE1 3.76Å; P66-Y81 HydrophobicContact CG-CE1 4.17Å
67	K	70.1	Confident	65.7	Low	179 Å²	179	104.7 Å²	104.7	78%	0.778	58%	0.578	S	S	*	*	S	Bend	trans	-58.5	-7.2	-173.5	-80.4	-174.1	169.6	-177	0	116.5	G65	G65-K67 PolarHBondContact O-N 3.19Å
68	F	82.4	Confident	68.6	Low	76 Å²	76	101.9 Å²	101.9	33%	0.333	56%	0.558	S	S	.	*	S	Bend	trans	-138.3	146	-172.3	-56.3	-69.6	0	0	0	110.1	P66 R70 T83 A86	P66-F68 PolarHBondContact O-N 2.96Å; F68-R70 PolarHBondContact O-N 3.03Å; F68-R70 VanDerWaalsContact O-N 3.14Å; F68-T83 HydrophobicContact CB-CG2 4.42Å; F68-T83 HydrophobicContact CD1-CG2 4.31Å; F68-T83 HydrophobicContact CD2-CG2 3.82Å; F68-T83 HydrophobicContact CE2-CG2 4.11Å; F68-T83 HydrophobicContact CG-CG2 3.93Å; F68-T83 HydrophobicContact CZ-CG2 4.47Å; F68-A86 HydrophobicContact CD1-CB 4.22Å; F68-A86 HydrophobicContact CE1-CB 3.84Å
69	P	86.9	Confident	71.3	Confident	50 Å²	50	99.9 Å²	99.9	33%	0.325	54%	0.539	S	S	.	.			trans	-53.9	119.2	176.2	-27.4	36	0	0	0	112.2	Y81 D82 S85 V465	P69-Y81 CarbonylContact O-C 3.58Å; P69-Y81 WeakPolarHBondContact O-CA 3.44Å; P69-D82 PolarHBondContact O-N 2.04Å; P69-S85 VanDerWaalsContact CD-OG 3.28Å; P69-S85 WeakPolarHBondContact CD-OG 3.24Å; P69-S85 WeakPolarHBondContact CG-OG 3.4Å; P69-V465 HydrophobicContact CB-CG2 3.89Å; P69-V465 HydrophobicContact CG-CG1 4.41Å
70	R	91.8	Very high	73.9	Confident	127 Å²	127	94 Å²	94	48%	0.479	51%	0.511	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	129.7	168.5	179.4	174.7	162.1	-104.2	1.8	108.7	F68 I79 Y81	F68-R70 PolarHBondContact O-N 3.03Å; F68-R70 VanDerWaalsContact O-N 3.14Å; R70-I79 HydrophobicContact CG-CG2 3.7Å; R70-Y81 HydrophobicContact CB-CD1 3.88Å; R70-Y81 HydrophobicContact CB-CE1 3.66Å; R70-Y81 HydrophobicContact CG-CD1 4.44Å; R70-Y81 HydrophobicContact CG-CE1 4Å
71	V	91.8	Very high	76.5	Confident	13 Å²	13	92.3 Å²	92.3	8%	0.079	49%	0.49	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	141.7	170	-67.6	0	0	0	0	110.3	I79 T80 E463 V465	V71-I79 WeakPolarHBondContact O-CA 3.12Å; V71-T80 VanDerWaalsContact CG2-OG1 3.26Å; V71-T80 WeakPolarHBondContact CG2-OG1 3.07Å; V71-T80 PolarHBondContact N-O 2.88Å; V71-T80 PolarHBondContact O-N 2.87Å; V71-T80 VanDerWaalsContact O-O 3.09Å; V71-E463 WeakPolarHBondContact CA-OE2 3.44Å; V71-E463 HydrophobicContact CB-CB 3.91Å; V71-E463 HydrophobicContact CG1-CB 4.12Å; V71-V465 HydrophobicContact CG1-CG2 3.63Å
72	K	94.2	Very high	78.8	Confident	40 Å²	40	84.3 Å²	84.3	17%	0.174	45%	0.453	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	140.6	178.8	-175	-173	168.1	-160.6	0	110.9	W74 S78 I79 E463	K72-W74 HydrophobicContact CD-CD2 4.02Å; K72-W74 HydrophobicContact CD-CE3 4.35Å; K72-W74 HydrophobicContact CD-CH2 4.25Å; K72-W74 HydrophobicContact CD-CZ2 3.9Å; K72-W74 HydrophobicContact CD-CZ3 4.46Å; K72-S78 CarbonylContact C-O 3.41Å; K72-S78 WeakPolarHBondContact CA-O 3.14Å; K72-S78 WeakPolarHBondContact CG-O 3.48Å; K72-I79 HydrophobicContact CB-CG1 4.37Å; K72-I79 HydrophobicContact CG-CG1 4.07Å; K72-E463 WeakPolarHBondContact CB-OE2 3.48Å; K72-E463 PolarHBondContact N-OE2 3.32Å; K72-E463 WeakPolarHBondContact O-CB 3.26Å; K72-E463 WeakPolarHBondContact O-CG 3.21Å; K72-E463 PolarHBondContact O-N 3.37Å
73	N	95.4	Very high	81.5	Confident	8 Å²	8	81.7 Å²	81.7	4%	0.043	44%	0.435	C	S	.	.	B	Isolated β-bridge	trans	-88.4	124.1	158.1	-168.9	-74.5	0	0	0	109.6	E75 V76 G77 S78 Q462	N73-E75 WeakPolarHBondContact OD1-CA 3.45Å; N73-E75 WeakPolarHBondContact OD1-CB 3.41Å; N73-E75 PolarHBondContact OD1-N 3.15Å; N73-V76 HydrophobicContact CB-CG2 3.98Å; N73-V76 PolarHBondContact OD1-N 2.81Å; N73-G77 CarbonylContact O-C 3.57Å; N73-G77 WeakPolarHBondContact O-CA 3.35Å; N73-G77 PolarHBondContact O-N 3.45Å; N73-S78 WeakPolarHBondContact CB-OG 3.42Å; N73-S78 PolarHBondContact N-O 2.9Å; N73-Q462 PolarHBondContact ND2-OE1 3.19Å
74	W	94.1	Very high	83.7	Confident	154 Å²	154	75.8 Å²	75.8	58%	0.583	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.9	-17.7	-176.5	-72.7	87.2	0	0	0	114.1	K72 H461 E463	K72-W74 HydrophobicContact CD-CD2 4.02Å; K72-W74 HydrophobicContact CD-CE3 4.35Å; K72-W74 HydrophobicContact CD-CH2 4.25Å; K72-W74 HydrophobicContact CD-CZ2 3.9Å; K72-W74 HydrophobicContact CD-CZ3 4.46Å; W74-H461 HydrophobicContact CB-CB 4.42Å; W74-H461 PolarHBondContact N-O 2.71Å; W74-E463 PolarHBondContact NE1-OE1 3.08Å
75	E	90.4	Very high	85.8	Confident	123 Å²	123	68.8 Å²	68.8	58%	0.575	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.4	-51.3	178.5	-177.8	177	-172.5	0	0	111.3	N73 H461	N73-E75 WeakPolarHBondContact OD1-CA 3.45Å; N73-E75 WeakPolarHBondContact OD1-CB 3.41Å; N73-E75 PolarHBondContact OD1-N 3.15Å; E75-H461 HydrophobicContact CB-CB 3.85Å; E75-H461 IonicContact OE2-CD2 3.82Å
76	V	92.5	Very high	87.9	Confident	108 Å²	108	69.5 Å²	69.5	66%	0.655	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.7	0.2	178.5	-56.7	0	0	0	0	114.1	N73 S78	N73-V76 HydrophobicContact CB-CG2 3.98Å; N73-V76 PolarHBondContact OD1-N 2.81Å; V76-S78 PolarHBondContact O-N 3.2Å; V76-S78 VanDerWaalsContact O-N 3.13Å
77	G	90.9	Very high	89.7	Confident	39 Å²	39	71.5 Å²	71.5	40%	0.402	37%	0.368	S	S	.	.			trans	71.9	-1.1	176.6	0	0	0	0	0	116.1	N73	N73-G77 CarbonylContact O-C 3.57Å; N73-G77 WeakPolarHBondContact O-CA 3.35Å; N73-G77 PolarHBondContact O-N 3.45Å
78	S	91.9	Very high	90.3	Very high	58 Å²	58	64.7 Å²	64.7	41%	0.406	35%	0.345	S	S	.	.			trans	-65.6	152.4	-177.3	64.9	0	0	0	0	112.5	K72 N73 V76	K72-S78 CarbonylContact C-O 3.41Å; K72-S78 WeakPolarHBondContact CA-O 3.14Å; K72-S78 WeakPolarHBondContact CG-O 3.48Å; N73-S78 WeakPolarHBondContact CB-OG 3.42Å; N73-S78 PolarHBondContact N-O 2.9Å; V76-S78 PolarHBondContact O-N 3.2Å; V76-S78 VanDerWaalsContact O-N 3.13Å
79	I	92.9	Very high	89.6	Confident	80 Å²	80	64.8 Å²	64.8	41%	0.41	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	130.9	-179.4	-63.6	163.9	0	0	0	107.9	R70 V71 K72 Y81	R70-I79 HydrophobicContact CG-CG2 3.7Å; V71-I79 WeakPolarHBondContact O-CA 3.12Å; K72-I79 HydrophobicContact CB-CG1 4.37Å; K72-I79 HydrophobicContact CG-CG1 4.07Å; I79-Y81 HydrophobicContact CG2-CE2 4.39Å
80	T	92.2	Very high	88.5	Confident	50 Å²	50	67.5 Å²	67.5	31%	0.307	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	172.4	168.1	65.3	0	0	0	0	110.2	V71 Q435	V71-T80 VanDerWaalsContact CG2-OG1 3.26Å; V71-T80 WeakPolarHBondContact CG2-OG1 3.07Å; V71-T80 PolarHBondContact N-O 2.88Å; V71-T80 PolarHBondContact O-N 2.87Å; V71-T80 VanDerWaalsContact O-O 3.09Å; T80-Q435 VanDerWaalsContact CB-OE1 3.28Å; T80-Q435 HydrophobicContact CG2-CG 4.07Å; T80-Q435 PolarHBondContact OG1-OE1 3.16Å
81	Y	92.3	Very high	86.7	Confident	103 Å²	103	69 Å²	69	40%	0.404	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	128.6	173.2	-64.9	-94.8	0	0	0	107.3	P66 P69 R70 I79 T83 Q435	P66-Y81 HydrophobicContact CB-CD1 4.32Å; P66-Y81 HydrophobicContact CB-CE1 3.76Å; P66-Y81 HydrophobicContact CG-CE1 4.17Å; P69-Y81 CarbonylContact O-C 3.58Å; P69-Y81 WeakPolarHBondContact O-CA 3.44Å; R70-Y81 HydrophobicContact CB-CD1 3.88Å; R70-Y81 HydrophobicContact CB-CE1 3.66Å; R70-Y81 HydrophobicContact CG-CD1 4.44Å; R70-Y81 HydrophobicContact CG-CE1 4Å; I79-Y81 HydrophobicContact CG2-CE2 4.39Å; Y81-T83 PolarHBondContact O-N 2.76Å; Y81-Q435 PolarHBondContact O-NE2 2.95Å
82	D	90.8	Very high	85.3	Confident	5 Å²	5	69.7 Å²	69.7	3%	0.027	38%	0.381	C	S	.	.			trans	-82.3	93.7	176.1	-167.6	-49.4	0	0	0	108.7	P69 L84 S85 G439 G440 C441 V465 Y467	P69-D82 PolarHBondContact O-N 2.04Å; D82-L84 VanDerWaalsContact C-N 3.28Å; D82-L84 WeakPolarHBondContact OD1-CA 3.33Å; D82-L84 WeakPolarHBondContact OD1-CB 3.28Å; D82-L84 PolarHBondContact OD1-N 3.02Å; D82-L84 VanDerWaalsContact OD1-N 3.08Å; D82-S85 PolarHBondContact O-OG 3.31Å; D82-S85 PolarHBondContact OD1-N 2.79Å; D82-G439 CarbonylContact C-O 3.59Å; D82-G439 WeakPolarHBondContact CA-O 3.45Å; D82-G440 VanDerWaalsContact CG-CA 3.44Å; D82-G440 VanDerWaalsContact OD2-CA 3.25Å; D82-G440 WeakPolarHBondContact OD2-CA 3.46Å; D82-C441 PolarHBondContact OD2-N 2.76Å; D82-V465 HydrophobicContact CB-CG2 4.08Å; D82-Y467 PolarHBondContact OD1-OH 3.3Å; D82-Y467 WeakPolarHBondContact OD2-CE1 3.32Å; D82-Y467 PolarHBondContact OD2-OH 2.9Å
83	T	92.1	Very high	83.8	Confident	59 Å²	59	68.1 Å²	68.1	36%	0.362	38%	0.376	S	S	.	.			trans	-78.8	-17.1	176.3	64.3	0	0	0	0	112.1	F68 Y81 S85 A86 G439	F68-T83 HydrophobicContact CB-CG2 4.42Å; F68-T83 HydrophobicContact CD1-CG2 4.31Å; F68-T83 HydrophobicContact CD2-CG2 3.82Å; F68-T83 HydrophobicContact CE2-CG2 4.11Å; F68-T83 HydrophobicContact CG-CG2 3.93Å; F68-T83 HydrophobicContact CZ-CG2 4.47Å; Y81-T83 PolarHBondContact O-N 2.76Å; T83-S85 VanDerWaalsContact C-N 3.34Å; T83-A86 PolarHBondContact O-N 3.36Å; T83-G439 PolarHBondContact N-O 3.29Å; T83-G439 WeakPolarHBondContact OG1-CA 3.44Å; T83-G439 PolarHBondContact OG1-O 3.04Å
84	L	91	Very high	82.5	Confident	2 Å²	2	69.9 Å²	69.9	1%	0.01	39%	0.388	C	S	.	.	G	3₁₀ helix	trans	-74	-26.2	-179.2	-176.4	61.1	0	0	0	111.9	D82 A86 Q87 R438 G440 Y467 L469	D82-L84 VanDerWaalsContact C-N 3.28Å; D82-L84 WeakPolarHBondContact OD1-CA 3.33Å; D82-L84 WeakPolarHBondContact OD1-CB 3.28Å; D82-L84 PolarHBondContact OD1-N 3.02Å; D82-L84 VanDerWaalsContact OD1-N 3.08Å; L84-A86 PolarHBondContact O-N 3.13Å; L84-A86 VanDerWaalsContact O-N 3.09Å; L84-Q87 HydrophobicContact CD1-CG 4.48Å; L84-Q87 WeakPolarHBondContact O-CB 3.46Å; L84-Q87 PolarHBondContact O-N 3.2Å; L84-R438 HydrophobicContact CD1-CB 4.22Å; L84-R438 HydrophobicContact CD2-CB 3.85Å; L84-G440 WeakPolarHBondContact CD2-O 3.36Å; L84-Y467 WeakPolarHBondContact CB-OH 3.43Å; L84-Y467 HydrophobicContact CG-CE2 4.26Å; L84-L469 HydrophobicContact CD1-CD1 4.12Å; L84-L469 HydrophobicContact CD2-CD1 3.82Å; L84-L469 HydrophobicContact CG-CD1 3.89Å
85	S	88.3	Confident	81.2	Confident	24 Å²	24	65.5 Å²	65.5	17%	0.168	38%	0.378	C	S	.	.	G	3₁₀ helix	trans	-60.8	-18.3	175.1	87	0	0	0	0	113.5	P69 D82 T83 Q87 A88	P69-S85 VanDerWaalsContact CD-OG 3.28Å; P69-S85 WeakPolarHBondContact CD-OG 3.24Å; P69-S85 WeakPolarHBondContact CG-OG 3.4Å; D82-S85 PolarHBondContact O-OG 3.31Å; D82-S85 PolarHBondContact OD1-N 2.79Å; T83-S85 VanDerWaalsContact C-N 3.34Å; S85-Q87 PolarHBondContact O-N 2.89Å; S85-A88 WeakPolarHBondContact O-CB 3.26Å; S85-A88 PolarHBondContact O-N 3.44Å
86	A	86.1	Confident	80.1	Confident	71 Å²	71	66.6 Å²	66.6	59%	0.587	40%	0.396	S	S	*	.	G	3₁₀ helix	trans	-71	-11.8	173.2	0	0	0	0	0	113.5	F68 T83 L84	F68-A86 HydrophobicContact CD1-CB 4.22Å; F68-A86 HydrophobicContact CE1-CB 3.84Å; T83-A86 PolarHBondContact O-N 3.36Å; L84-A86 PolarHBondContact O-N 3.13Å; L84-A86 VanDerWaalsContact O-N 3.09Å
87	Q	85.5	Confident	79	Confident	133 Å²	133	73.2 Å²	73.2	62%	0.621	41%	0.409	S	S	*	.	G	3₁₀ helix	trans	-95.4	8.6	172.9	-58.1	-179.3	2.6	0	0	112.5	L84 S85 L469	L84-Q87 HydrophobicContact CD1-CG 4.48Å; L84-Q87 WeakPolarHBondContact O-CB 3.46Å; L84-Q87 PolarHBondContact O-N 3.2Å; S85-Q87 PolarHBondContact O-N 2.89Å; Q87-L469 HydrophobicContact CB-CD2 3.77Å; Q87-L469 WeakPolarHBondContact O-CD2 3.44Å
88	A	82.3	Confident	78.1	Confident	35 Å²	35	79.2 Å²	79.2	29%	0.289	42%	0.42	S	S	.	.			trans	-70.3	135.3	-176.6	0	0	0	0	0	112.8	S85 Y467 F468	S85-A88 WeakPolarHBondContact O-CB 3.26Å; S85-A88 PolarHBondContact O-N 3.44Å; A88-Y467 HydrophobicContact CB-CD2 4Å; A88-Y467 HydrophobicContact CB-CG 4.35Å; A88-F468 CarbonylContact C-O 3.58Å; A88-F468 VanDerWaalsContact CA-O 3.29Å; A88-F468 WeakPolarHBondContact CA-O 3.37Å
89	Q	68.3	Low	77.1	Confident	79 Å²	79	80.3 Å²	80.3	37%	0.369	43%	0.426	S	S	.	.	S	Bend	trans	-84.2	-8.7	179.4	-71.8	-166.1	-10.8	0	0	114.6	F468	Q89-F468 PolarHBondContact N-O 3.05Å
90	Q	63.5	Low	76	Confident	107 Å²	107	78.3 Å²	78.3	50%	0.5	42%	0.416	S	S	.	.	S	Bend	trans	-147.1	141.6	-176.6	-67.4	-170.4	-16.4	0	0	111.7
91	D	55.3	Low	74.7	Confident	159 Å²	159	76.7 Å²	76.7	85%	0.85	41%	0.41	S	S	*	.			trans	-55.1	136.3	163.3	-73.5	-41.4	0	0	0	110.5
92	G	60.7	Low	73.5	Confident	26 Å²	26	76.3 Å²	76.3	27%	0.268	42%	0.423	S	S	.	.			trans	-60.1	173.3	-178.9	0	0	0	0	0	114.4	C94 K108	G92-C94 PolarHBondContact O-N 3.26Å; G92-C94 VanDerWaalsContact O-N 3.11Å; G92-K108 PolarHBondContact O-NZ 2.79Å; G92-K108 VanDerWaalsContact O-NZ 3.17Å
93	P	64.1	Low	72.5	Confident	8 Å²	8	79.6 Å²	79.6	5%	0.052	44%	0.44	C	S	.	.	S	Bend	trans	-59.2	-28.9	178.8	23.3	-33	0	0	0	112.4	L100 K108	P93-L100 HydrophobicContact CB-CB 4.23Å; P93-L100 WeakPolarHBondContact O-CB 3.38Å; P93-K108 WeakPolarHBondContact O-CD 3.43Å; P93-K108 PolarHBondContact O-NZ 2.91Å
94	C	66.8	Low	71.5	Confident	45 Å²	45	80 Å²	80	30%	0.304	44%	0.442	S	S	.	.			trans	-80.8	158.5	-177.1	-59.6	0	0	0	0	114.2	G92 C99 L100 G101	G92-C94 PolarHBondContact O-N 3.26Å; G92-C94 VanDerWaalsContact O-N 3.11Å; C94-C99 HydrophobicContact CB-CB 3.81Å; C94-C99 WeakPolarHBondContact CB-SG 3.47Å; C94-C99 WeakPolarHBondContact SG-CA 3.3Å; C94-C99 WeakPolarHBondContact SG-CB 3.25Å; C94-C99 CovalentContact SG-SG 2.04Å; C94-C99 PolarHBondContact SG-SG 3.17Å; C94-L100 PolarHBondContact SG-N 2.67Å; C94-G101 PolarHBondContact SG-N 2.95Å
95	T	67.9	Low	70.4	Confident	61 Å²	61	86.5 Å²	86.5	37%	0.374	47%	0.47	S	S	.	.	B	Isolated β-bridge	trans	-139	159.5	178.9	64.8	0	0	0	0	109.1	R97 R98	T95-R97 PolarHBondContact O-N 3.48Å; T95-R98 PolarHBondContact N-O 2.78Å; T95-R98 CarbonylContact O-C 3.39Å; T95-R98 PolarHBondContact O-N 3.14Å; T95-R98 PolarHBondContact OG1-N 3.11Å; T95-R98 PolarHBondContact OG1-O 3.03Å
96	P	66.1	Low	69.2	Low	147 Å²	147	85.6 Å²	85.6	96%	0.955	46%	0.464	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57	-17.5	178.5	-27.7	35.9	0	0	0	115.5
97	R	71	Confident	67.9	Low	247 Å²	247	92.8 Å²	92.8	93%	0.932	48%	0.476	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.8	-19.7	176.7	-67	-175.5	178.2	178.4	-0.3	114.5	T95	T95-R97 PolarHBondContact O-N 3.48Å
98	R	71.8	Confident	66.5	Low	164 Å²	164	91.4 Å²	91.4	62%	0.619	47%	0.468	S	S	*	.	B	Isolated β-bridge	trans	-164.5	128.2	-177.5	-176.3	172.8	-179.9	178.5	2	111.1	T95 L100	T95-R98 PolarHBondContact N-O 2.78Å; T95-R98 CarbonylContact O-C 3.39Å; T95-R98 PolarHBondContact O-N 3.14Å; T95-R98 PolarHBondContact OG1-N 3.11Å; T95-R98 PolarHBondContact OG1-O 3.03Å; R98-L100 HydrophobicContact CG-CD2 4.02Å
99	C	70.4	Confident	65.4	Low	81 Å²	81	90.9 Å²	90.9	55%	0.547	46%	0.46	S	S	.	.			trans	-80.9	133.4	166.4	-144.7	0	0	0	0	110.2	C94	C94-C99 HydrophobicContact CB-CB 3.81Å; C94-C99 WeakPolarHBondContact CB-SG 3.47Å; C94-C99 WeakPolarHBondContact SG-CA 3.3Å; C94-C99 WeakPolarHBondContact SG-CB 3.25Å; C94-C99 CovalentContact SG-SG 2.04Å; C94-C99 PolarHBondContact SG-SG 3.17Å
100	L	69.1	Low	65	Low	38 Å²	38	92.8 Å²	92.8	20%	0.199	47%	0.469	C	S	.	.			trans	-110.8	1.2	173.3	-59	177.1	0	0	0	112.7	P93 C94 R98 S102 L103 P106 K108	P93-L100 HydrophobicContact CB-CB 4.23Å; P93-L100 WeakPolarHBondContact O-CB 3.38Å; C94-L100 PolarHBondContact SG-N 2.67Å; R98-L100 HydrophobicContact CG-CD2 4.02Å; L100-S102 PolarHBondContact O-N 2.91Å; L100-L103 HydrophobicContact CB-CD1 4.47Å; L100-L103 HydrophobicContact CD2-CD1 4.19Å; L100-L103 WeakPolarHBondContact O-CB 3.49Å; L100-L103 PolarHBondContact O-N 2.89Å; L100-P106 HydrophobicContact CB-CB 4.38Å; L100-K108 HydrophobicContact CD1-CD 4.24Å
101	G	65.5	Low	64.6	Low	17 Å²	17	89.5 Å²	89.5	18%	0.175	46%	0.464	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.2	-8.5	177.4	0	0	0	0	0	114.5	C94 L103 A446	C94-G101 PolarHBondContact SG-N 2.95Å; G101-L103 VanDerWaalsContact C-N 3.29Å; G101-A446 VanDerWaalsContact O-CB 3.3Å; G101-A446 WeakPolarHBondContact O-CB 3.39Å
102	S	66.2	Low	64.4	Low	95 Å²	95	93.4 Å²	93.4	66%	0.664	47%	0.466	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.4	0.8	169.9	53.4	0	0	0	0	113.6	L100	L100-S102 PolarHBondContact O-N 2.91Å
103	L	71.3	Confident	64	Low	74 Å²	74	96.9 Å²	96.9	39%	0.387	48%	0.484	S	S	.	.	S	Bend	trans	-90.9	137.9	173.2	-64.6	175.5	0	0	0	109.9	L100 G101 F105 P106	L100-L103 HydrophobicContact CB-CD1 4.47Å; L100-L103 HydrophobicContact CD2-CD1 4.19Å; L100-L103 WeakPolarHBondContact O-CB 3.49Å; L100-L103 PolarHBondContact O-N 2.89Å; G101-L103 VanDerWaalsContact C-N 3.29Å; L103-F105 VanDerWaalsContact C-N 3.33Å; L103-P106 HydrophobicContact CB-CB 3.99Å; L103-P106 HydrophobicContact CB-CG 4.21Å; L103-P106 HydrophobicContact CD1-CB 4.04Å; L103-P106 VanDerWaalsContact O-CD 3.25Å; L103-P106 WeakPolarHBondContact O-CD 3.43Å
104	V	69.9	Low	63.6	Low	67 Å²	67	99.1 Å²	99.1	41%	0.406	50%	0.5	S	S	.	.	S	Bend	trans	-69.4	-33	175	-177.5	0	0	0	0	111.1	R183 W447	V104-R183 PolarHBondContact O-NH1 2.75Å; V104-R183 PolarHBondContact O-NH2 2.91Å; V104-W447 HydrophobicContact CG1-CE3 3.79Å; V104-W447 HydrophobicContact CG1-CZ3 3.63Å
105	F	69.2	Low	62.9	Low	138 Å²	138	103.9 Å²	103.9	61%	0.605	53%	0.53	S	S	*	.	S	Bend	trans	-138	72	175.2	-63	-74.6	0	0	0	112.9	L103 W447	L103-F105 VanDerWaalsContact C-N 3.33Å; F105-W447 HydrophobicContact CD1-CZ3 4.44Å; F105-W447 AromaticContact CE1-CH2 3.98Å; F105-W447 HydrophobicContact CE1-CH2 3.98Å; F105-W447 AromaticContact CE1-CZ3 3.63Å; F105-W447 HydrophobicContact CE1-CZ3 3.63Å; F105-W447 HydrophobicContact CE2-CZ3 4.13Å; F105-W447 AromaticContact CZ-CH2 3.7Å; F105-W447 HydrophobicContact CZ-CH2 3.7Å; F105-W447 AromaticContact CZ-CZ3 3.45Å; F105-W447 HydrophobicContact CZ-CZ3 3.45Å; F105-W447 VanDerWaalsContact CZ-CZ3 3.45Å
106	P	62.5	Low	62.6	Low	5 Å²	5	102 Å²	102	3%	0.032	52%	0.523	C	S	.	.			trans	-68.3	133.1	176.6	23.1	-29.9	0	0	0	111.3	L100 L103 K108 L109	L100-P106 HydrophobicContact CB-CB 4.38Å; L103-P106 HydrophobicContact CB-CB 3.99Å; L103-P106 HydrophobicContact CB-CG 4.21Å; L103-P106 HydrophobicContact CD1-CB 4.04Å; L103-P106 VanDerWaalsContact O-CD 3.25Å; L103-P106 WeakPolarHBondContact O-CD 3.43Å; P106-K108 PolarHBondContact O-N 2.92Å; P106-L109 HydrophobicContact CG-CD1 3.73Å; P106-L109 HydrophobicContact CG-CG 3.96Å; P106-L109 WeakPolarHBondContact O-CB 3.15Å; P106-L109 PolarHBondContact O-N 2.86Å
107	R	58.9	Low	62.4	Low	223 Å²	223	97 Å²	97	84%	0.842	49%	0.491	S	S	*	.	G	3₁₀ helix	trans	-52.4	-23	179.3	-69.2	-175.5	179.6	177.8	-0.9	114.8	L109 Q110	R107-L109 PolarHBondContact O-N 3Å; R107-Q110 PolarHBondContact O-N 3.34Å
108	K	56.1	Low	62.4	Low	104 Å²	104	86.4 Å²	86.4	45%	0.452	45%	0.454	S	S	.	.	G	3₁₀ helix	trans	-62.4	-25	173.9	-85.8	-171.3	168.9	-171.8	0	114.1	G92 P93 L100 P106	G92-K108 PolarHBondContact O-NZ 2.79Å; G92-K108 VanDerWaalsContact O-NZ 3.17Å; P93-K108 WeakPolarHBondContact O-CD 3.43Å; P93-K108 PolarHBondContact O-NZ 2.91Å; L100-K108 HydrophobicContact CD1-CD 4.24Å; P106-K108 PolarHBondContact O-N 2.92Å
109	L	58.1	Low	62.8	Low	24 Å²	24	81.5 Å²	81.5	13%	0.126	45%	0.448	C	S	.	.	G	3₁₀ helix	trans	-76.9	-23.1	-179.7	-70.2	175.2	0	0	0	113.1	P106 R107 G111 F468 Y475	P106-L109 HydrophobicContact CG-CD1 3.73Å; P106-L109 HydrophobicContact CG-CG 3.96Å; P106-L109 WeakPolarHBondContact O-CB 3.15Å; P106-L109 PolarHBondContact O-N 2.86Å; R107-L109 PolarHBondContact O-N 3Å; L109-G111 PolarHBondContact O-N 3.23Å; L109-F468 HydrophobicContact CD2-CE2 3.91Å; L109-F468 HydrophobicContact CD2-CZ 3.48Å; L109-F468 VanDerWaalsContact CD2-CZ 3.48Å; L109-Y475 HydrophobicContact CB-CD2 4Å; L109-Y475 HydrophobicContact CB-CE2 4.4Å; L109-Y475 HydrophobicContact CD1-CE2 4.43Å; L109-Y475 WeakPolarHBondContact O-CB 3.4Å
110	Q	59.9	Low	63.3	Low	118 Å²	118	81 Å²	81	55%	0.551	44%	0.444	S	S	*	.	B	Isolated β-bridge	trans	-75	108.5	169	-68.8	173.6	-34.7	0	0	107.3	R107	R107-Q110 PolarHBondContact O-N 3.34Å
111	G	55	Low	64.1	Low	38 Å²	38	87.3 Å²	87.3	39%	0.392	47%	0.473	S	S	.	.	P	Polyproline II helix	trans	-58.3	142.1	175.9	0	0	0	0	0	110.5	L109 Y475	L109-G111 PolarHBondContact O-N 3.23Å; G111-Y475 PolarHBondContact N-O 3.13Å
112	R	52.1	Low	65.1	Low	241 Å²	241	91.5 Å²	91.5	91%	0.909	49%	0.488	S	S	*	.	P	Polyproline II helix	trans	-57.3	133.9	161.6	-73.6	-176.6	175.3	-179.8	-1.7	107.2	S114	R112-S114 PolarHBondContact O-N 2.88Å; R112-S114 VanDerWaalsContact O-N 3.13Å
113	P	52.5	Low	66.2	Low	99 Å²	99	87 Å²	87	64%	0.643	46%	0.456	S	S	*	.	P	Polyproline II helix	trans	-59.8	121.5	175.5	24.8	-32	0	0	0	108.6	P477	P113-P477 HydrophobicContact CB-CG 4.26Å; P113-P477 HydrophobicContact CG-CG 4.37Å
114	S	54.4	Low	67.2	Low	56 Å²	56	85.3 Å²	85.3	39%	0.392	45%	0.447	S	S	.	.	P	Polyproline II helix	trans	-67	133.8	173.4	-166.5	0	0	0	0	108.6	R112 G116	R112-S114 PolarHBondContact O-N 2.88Å; R112-S114 VanDerWaalsContact O-N 3.13Å; S114-G116 WeakPolarHBondContact CB-O 3.32Å; S114-G116 PolarHBondContact O-N 2.96Å; S114-G116 PolarHBondContact OG-O 2.94Å
115	P	53.3	Low	68.2	Low	144 Å²	144	85 Å²	85	94%	0.935	45%	0.449	S	S	*	.	S	Bend	trans	-72.4	-2.4	179.3	30.7	-35.9	0	0	0	113.5
116	G	60.5	Low	69.3	Low	22 Å²	22	80.1 Å²	80.1	23%	0.227	43%	0.427	C	S	.	.	S	Bend	trans	178.2	-175.7	177.1	0	0	0	0	0	110.8	S114	S114-G116 WeakPolarHBondContact CB-O 3.32Å; S114-G116 PolarHBondContact O-N 2.96Å; S114-G116 PolarHBondContact OG-O 2.94Å
117	P	63.8	Low	70.9	Confident	41 Å²	41	79.9 Å²	79.9	27%	0.266	43%	0.426	S	S	.	.	S	Bend	trans	-61.6	160.2	167.8	26.3	-32.1	0	0	0	111.7	P236	P117-P236 HydrophobicContact CG-CB 4.3Å; P117-P236 HydrophobicContact CG-CG 3.82Å
118	P	70.7	Confident	72.6	Confident	26 Å²	26	74.2 Å²	74.2	17%	0.169	41%	0.405	C	S	.	.	P	Polyproline II helix	trans	-61.1	158.1	178.3	24.9	-33.7	0	0	0	112.5	Q122 L123	P118-Q122 HydrophobicContact CB-CB 4.39Å; P118-Q122 HydrophobicContact CB-CG 4.28Å; P118-L123 HydrophobicContact CG-CB 4.21Å; P118-L123 HydrophobicContact CG-CD1 4.22Å
119	A	79.6	Confident	74.4	Confident	60 Å²	60	73.3 Å²	73.3	50%	0.496	40%	0.404	S	S	.	.	P	Polyproline II helix	trans	-59.5	145.6	177.5	0	0	0	0	0	111	E121 Q122 L123	A119-E121 VanDerWaalsContact C-N 3.28Å; A119-E121 PolarHBondContact O-N 3.45Å; A119-E121 VanDerWaalsContact O-N 3.11Å; A119-Q122 WeakPolarHBondContact O-CA 3.38Å; A119-Q122 WeakPolarHBondContact O-CB 3.34Å; A119-Q122 PolarHBondContact O-N 3.42Å; A119-L123 PolarHBondContact O-N 3.37Å
120	P	81.6	Confident	76.2	Confident	71 Å²	71	72.2 Å²	72.2	46%	0.461	40%	0.399	S	S	.	.	H	α-helix	trans	-53	-38.9	-172.3	-30.8	36.7	0	0	0	114.8	L123 L124 V157	P120-L123 PolarHBondContact O-N 3.43Å; P120-L124 WeakPolarHBondContact O-CB 3.45Å; P120-L124 VanDerWaalsContact O-CG 3.24Å; P120-L124 WeakPolarHBondContact O-CG 3.37Å; P120-L124 PolarHBondContact O-N 3.1Å; P120-V157 HydrophobicContact CB-CG1 4.08Å
121	E	84.1	Confident	78	Confident	171 Å²	171	66.6 Å²	66.6	80%	0.799	37%	0.373	S	S	*	.	H	α-helix	trans	-62.8	-41.8	176.2	-62	176	175.9	0	0	112.7	A119 S125	A119-E121 VanDerWaalsContact C-N 3.28Å; A119-E121 PolarHBondContact O-N 3.45Å; A119-E121 VanDerWaalsContact O-N 3.11Å; E121-S125 PolarHBondContact O-N 3.28Å; E121-S125 VanDerWaalsContact O-N 3.14Å
122	Q	86.6	Confident	79.9	Confident	105 Å²	105	67.9 Å²	67.9	49%	0.491	37%	0.37	S	S	.	.	H	α-helix	trans	-69.7	-41.3	176.8	-176.7	179.3	8.9	0	0	111.1	P118 A119 S125 Q126	P118-Q122 HydrophobicContact CB-CB 4.39Å; P118-Q122 HydrophobicContact CB-CG 4.28Å; A119-Q122 WeakPolarHBondContact O-CA 3.38Å; A119-Q122 WeakPolarHBondContact O-CB 3.34Å; A119-Q122 PolarHBondContact O-N 3.42Å; Q122-S125 PolarHBondContact O-N 3.17Å; Q122-Q126 WeakPolarHBondContact O-CG 3.33Å; Q122-Q126 PolarHBondContact O-N 3.47Å; Q122-Q126 VanDerWaalsContact O-N 3.09Å
123	L	90.1	Very high	81.8	Confident	1 Å²	1	59.7 Å²	59.7	1%	0.005	34%	0.343	C	S	.	.	H	α-helix	trans	-61.7	-45.2	175.2	-177.5	58.2	0	0	0	111.1	P118 A119 P120 S125 Q126 A127 V157 Y163 L346	P118-L123 HydrophobicContact CG-CB 4.21Å; P118-L123 HydrophobicContact CG-CD1 4.22Å; A119-L123 PolarHBondContact O-N 3.37Å; P120-L123 PolarHBondContact O-N 3.43Å; L123-S125 VanDerWaalsContact C-N 3.34Å; L123-S125 PolarHBondContact O-N 3.01Å; L123-Q126 PolarHBondContact O-N 2.99Å; L123-A127 WeakPolarHBondContact O-CB 3.41Å; L123-A127 PolarHBondContact O-N 3.12Å; L123-V157 HydrophobicContact CD2-CG1 4.3Å; L123-V157 HydrophobicContact CD2-CG2 4.17Å; L123-V157 HydrophobicContact CG-CG2 4.43Å; L123-Y163 HydrophobicContact CD1-CD1 4.43Å; L123-Y163 HydrophobicContact CD1-CE1 4.07Å; L123-Y163 HydrophobicContact CG-CD1 4.47Å; L123-Y163 HydrophobicContact CG-CE1 4.5Å; L123-L346 HydrophobicContact CD1-CD2 4.09Å
124	L	92.1	Very high	83.5	Confident	37 Å²	37	56 Å²	56	19%	0.194	32%	0.316	C	S	.	.	H	α-helix	trans	-58.8	-41.9	176.5	-79.6	171.8	0	0	0	112.5	P120 R128 E154 V157	P120-L124 WeakPolarHBondContact O-CB 3.45Å; P120-L124 VanDerWaalsContact O-CG 3.24Å; P120-L124 WeakPolarHBondContact O-CG 3.37Å; P120-L124 PolarHBondContact O-N 3.1Å; L124-R128 WeakPolarHBondContact O-CB 3.48Å; L124-R128 VanDerWaalsContact O-CG 3.23Å; L124-R128 WeakPolarHBondContact O-CG 3.49Å; L124-R128 PolarHBondContact O-N 3.16Å; L124-E154 HydrophobicContact CD2-CB 4.36Å; L124-E154 HydrophobicContact CD2-CG 3.87Å; L124-V157 HydrophobicContact CD1-CG1 4.48Å; L124-V157 HydrophobicContact CD2-CB 3.81Å; L124-V157 HydrophobicContact CD2-CG1 4.13Å; L124-V157 HydrophobicContact CD2-CG2 4.02Å; L124-V157 HydrophobicContact CG-CB 4.21Å; L124-V157 HydrophobicContact CG-CG1 3.96Å
125	S	92	Very high	85	Confident	62 Å²	62	54 Å²	54	43%	0.434	30%	0.3	S	S	.	.	H	α-helix	trans	-61.2	-52	174.4	-165.4	0	0	0	0	111.1	E121 Q122 L123 A127 R128 D129	E121-S125 PolarHBondContact O-N 3.28Å; E121-S125 VanDerWaalsContact O-N 3.14Å; Q122-S125 PolarHBondContact O-N 3.17Å; L123-S125 VanDerWaalsContact C-N 3.34Å; L123-S125 PolarHBondContact O-N 3.01Å; S125-A127 VanDerWaalsContact C-N 3.31Å; S125-A127 PolarHBondContact O-N 2.86Å; S125-R128 PolarHBondContact O-N 3.03Å; S125-D129 WeakPolarHBondContact O-CB 3.25Å; S125-D129 PolarHBondContact O-N 3.38Å
126	Q	92.4	Very high	86.5	Confident	34 Å²	34	50.3 Å²	50.3	16%	0.159	28%	0.278	C	S	.	.	H	α-helix	trans	-65	-34.9	-177.3	-68	174.9	-23.8	0	0	112.5	Q122 L123 F130 G344	Q122-Q126 WeakPolarHBondContact O-CG 3.33Å; Q122-Q126 PolarHBondContact O-N 3.47Å; Q122-Q126 VanDerWaalsContact O-N 3.09Å; L123-Q126 PolarHBondContact O-N 2.99Å; Q126-F130 VanDerWaalsContact O-CB 3.31Å; Q126-F130 WeakPolarHBondContact O-CB 3.19Å; Q126-F130 PolarHBondContact O-N 2.96Å; Q126-G344 CarbonylContact C-O 3.53Å; Q126-G344 WeakPolarHBondContact O-CA 3.29Å
127	A	94.9	Very high	87.4	Confident	0 Å²	0	52.4 Å²	52.4	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-68.3	-47.5	175	0	0	0	0	0	111.6	L123 S125 F130 I131 V153 Y163 G344	L123-A127 WeakPolarHBondContact O-CB 3.41Å; L123-A127 PolarHBondContact O-N 3.12Å; S125-A127 VanDerWaalsContact C-N 3.31Å; S125-A127 PolarHBondContact O-N 2.86Å; A127-F130 PolarHBondContact O-N 3.29Å; A127-I131 WeakPolarHBondContact O-CG1 3.49Å; A127-I131 PolarHBondContact O-N 3.34Å; A127-V153 HydrophobicContact CB-CG1 3.77Å; A127-Y163 HydrophobicContact CB-CD1 4.12Å; A127-Y163 HydrophobicContact CB-CE1 3.4Å; A127-Y163 VanDerWaalsContact CB-CE1 3.4Å; A127-Y163 HydrophobicContact CB-CE2 4.37Å; A127-G344 PolarHBondContact N-O 3.23Å
128	R	94.9	Very high	87.9	Confident	105 Å²	105	52.8 Å²	52.8	40%	0.396	29%	0.288	S	S	.	.	H	α-helix	trans	-57.7	-49.3	173.9	-76.3	169.8	168.9	166.6	-4.6	111.1	L124 S125 F130 I131 N132 L150 E154	L124-R128 WeakPolarHBondContact O-CB 3.48Å; L124-R128 VanDerWaalsContact O-CG 3.23Å; L124-R128 WeakPolarHBondContact O-CG 3.49Å; L124-R128 PolarHBondContact O-N 3.16Å; S125-R128 PolarHBondContact O-N 3.03Å; R128-F130 VanDerWaalsContact C-N 3.27Å; R128-F130 PolarHBondContact O-N 3.02Å; R128-I131 PolarHBondContact O-N 3.38Å; R128-N132 VanDerWaalsContact O-CB 3.27Å; R128-N132 WeakPolarHBondContact O-CB 3.5Å; R128-N132 VanDerWaalsContact O-CG 3.24Å; R128-N132 PolarHBondContact O-N 3.09Å; R128-N132 PolarHBondContact O-ND2 3.23Å; R128-L150 HydrophobicContact CB-CD2 4.45Å; R128-L150 HydrophobicContact CG-CD2 4.2Å; R128-E154 IonicContact CZ-OE1 3.5Å; R128-E154 IonicContact CZ-OE2 3.21Å; R128-E154 IonicContact NE-OE1 2.77Å; R128-E154 PolarHBondContact NE-OE1 3.04Å; R128-E154 IonicContact NH2-OE1 3.17Å; R128-E154 PolarHBondContact NH2-OE1 3.43Å; R128-E154 IonicContact NH2-OE2 3.8Å; R128-E154 PolarHBondContact NH2-OE2 3.08Å
129	D	93.4	Very high	88.2	Confident	84 Å²	84	60.3 Å²	60.3	45%	0.449	32%	0.318	S	S	.	.	H	α-helix	trans	-58.6	-38.6	178.5	-69	-30.6	0	0	0	112.2	S125 Q133	S125-D129 WeakPolarHBondContact O-CB 3.25Å; S125-D129 PolarHBondContact O-N 3.38Å; D129-Q133 VanDerWaalsContact O-CG 3.3Å; D129-Q133 WeakPolarHBondContact O-CG 3.39Å; D129-Q133 PolarHBondContact O-N 2.89Å; D129-Q133 VanDerWaalsContact O-N 3.12Å; D129-Q133 PolarHBondContact O-NE2 3.4Å
130	F	96.4	Very high	87.9	Confident	2 Å²	2	63.6 Å²	63.6	1%	0.009	32%	0.317	C	S	.	.	H	α-helix	trans	-73.6	-43.5	177.7	173.8	-102	0	0	0	113.3	Q126 A127 R128 Q133 Y134 L165 E169 F172 I343 P471	Q126-F130 VanDerWaalsContact O-CB 3.31Å; Q126-F130 WeakPolarHBondContact O-CB 3.19Å; Q126-F130 PolarHBondContact O-N 2.96Å; A127-F130 PolarHBondContact O-N 3.29Å; R128-F130 VanDerWaalsContact C-N 3.27Å; R128-F130 PolarHBondContact O-N 3.02Å; F130-Q133 WeakPolarHBondContact O-CB 3.39Å; F130-Q133 PolarHBondContact O-N 3Å; F130-Y134 PolarHBondContact O-N 2.99Å; F130-L165 HydrophobicContact CD1-CD2 4.24Å; F130-L165 HydrophobicContact CE1-CD2 3.78Å; F130-E169 HydrophobicContact CE1-CB 4.21Å; F130-E169 WeakPolarHBondContact CZ-O 3.3Å; F130-F172 HydrophobicContact CD2-CE1 4.43Å; F130-F172 AromaticContact CE2-CD1 3.57Å; F130-F172 HydrophobicContact CE2-CD1 3.57Å; F130-F172 AromaticContact CE2-CE1 3.77Å; F130-F172 HydrophobicContact CE2-CE1 3.77Å; F130-F172 AromaticContact CZ-CD1 3.72Å; F130-F172 HydrophobicContact CZ-CD1 3.72Å; F130-F172 HydrophobicContact CZ-CE1 4.31Å; F130-I343 HydrophobicContact CD1-CG2 4.12Å; F130-I343 HydrophobicContact CD2-CG2 3.89Å; F130-I343 HydrophobicContact CE1-CG2 3.73Å; F130-I343 HydrophobicContact CE2-CG2 3.49Å; F130-I343 VanDerWaalsContact CE2-CG2 3.49Å; F130-I343 HydrophobicContact CG-CG2 4.19Å; F130-I343 HydrophobicContact CZ-CG2 3.39Å; F130-P471 HydrophobicContact CD2-CG 3.69Å; F130-P471 HydrophobicContact CE2-CG 3.67Å
131	I	97	Very high	88.1	Confident	0 Å²	0	63.2 Å²	63.2	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-65	-41.2	176.5	-66	-64.6	0	0	0	110.5	A127 R128 Q133 Y134 Y135 R149 L150 V153 E169	A127-I131 WeakPolarHBondContact O-CG1 3.49Å; A127-I131 PolarHBondContact O-N 3.34Å; R128-I131 PolarHBondContact O-N 3.38Å; I131-Q133 VanDerWaalsContact C-N 3.33Å; I131-Q133 PolarHBondContact O-N 3.12Å; I131-Y134 PolarHBondContact O-N 3.36Å; I131-Y135 HydrophobicContact CG2-CD2 3.87Å; I131-Y135 HydrophobicContact CG2-CE2 4Å; I131-Y135 WeakPolarHBondContact O-CD2 3.39Å; I131-Y135 PolarHBondContact O-N 2.95Å; I131-R149 HydrophobicContact CD1-CG 4.36Å; I131-R149 HydrophobicContact CG2-CG 4.34Å; I131-L150 HydrophobicContact CB-CD2 3.85Å; I131-L150 HydrophobicContact CG2-CD2 3.6Å; I131-L150 HydrophobicContact CG2-CG 4.11Å; I131-V153 HydrophobicContact CG1-CG2 4.47Å; I131-E169 HydrophobicContact CD1-CG 4.18Å
132	N	95.3	Very high	88.1	Confident	64 Å²	64	57.8 Å²	57.8	34%	0.342	31%	0.306	S	S	.	.	H	α-helix	trans	-56.6	-44.6	171.3	-78.5	-42.8	0	0	0	111.8	R128 S136 H146	R128-N132 VanDerWaalsContact O-CB 3.27Å; R128-N132 WeakPolarHBondContact O-CB 3.5Å; R128-N132 VanDerWaalsContact O-CG 3.24Å; R128-N132 PolarHBondContact O-N 3.09Å; R128-N132 PolarHBondContact O-ND2 3.23Å; N132-S136 WeakPolarHBondContact O-CB 3.49Å; N132-S136 PolarHBondContact O-N 3.47Å; N132-S136 PolarHBondContact O-OG 2.79Å; N132-H146 PolarHBondContact OD1-CE1 3.28Å; N132-H146 PolarHBondContact OD1-NE2 2.84Å
133	Q	91.3	Very high	87.6	Confident	70 Å²	70	54.3 Å²	54.3	33%	0.327	29%	0.294	S	S	.	.	H	α-helix	trans	-62.9	-45	175.2	-79.2	174.1	69.9	0	0	112.4	D129 F130 I131 S136 S137 F172	D129-Q133 VanDerWaalsContact O-CG 3.3Å; D129-Q133 WeakPolarHBondContact O-CG 3.39Å; D129-Q133 PolarHBondContact O-N 2.89Å; D129-Q133 VanDerWaalsContact O-N 3.12Å; D129-Q133 PolarHBondContact O-NE2 3.4Å; F130-Q133 WeakPolarHBondContact O-CB 3.39Å; F130-Q133 PolarHBondContact O-N 3Å; I131-Q133 VanDerWaalsContact C-N 3.33Å; I131-Q133 PolarHBondContact O-N 3.12Å; Q133-S136 PolarHBondContact O-N 3.08Å; Q133-S137 PolarHBondContact O-N 3.2Å; Q133-F172 HydrophobicContact CB-CE1 4.27Å; Q133-F172 HydrophobicContact CB-CZ 4.37Å
134	Y	90.2	Very high	87.2	Confident	22 Å²	22	61.9 Å²	61.9	9%	0.086	33%	0.329	C	S	.	.	H	α-helix	trans	-60.6	-54	178.7	171.8	-125.4	0	0	0	111.3	F130 I131 S136 S137 I138 S168 E169 F172	F130-Y134 PolarHBondContact O-N 2.99Å; I131-Y134 PolarHBondContact O-N 3.36Å; Y134-S136 VanDerWaalsContact C-N 3.28Å; Y134-S136 PolarHBondContact O-N 2.96Å; Y134-S137 WeakPolarHBondContact O-CB 3.47Å; Y134-S137 PolarHBondContact O-N 2.96Å; Y134-S137 PolarHBondContact O-OG 3.42Å; Y134-I138 HydrophobicContact CE1-CD1 4.33Å; Y134-I138 HydrophobicContact CE2-CD1 4.36Å; Y134-I138 HydrophobicContact CE2-CG2 4.19Å; Y134-I138 PolarHBondContact O-N 2.79Å; Y134-S168 VanDerWaalsContact OH-CB 3.29Å; Y134-S168 WeakPolarHBondContact OH-CB 3.5Å; Y134-S168 PolarHBondContact OH-OG 3.45Å; Y134-E169 HydrophobicContact CD1-CG 3.81Å; Y134-E169 HydrophobicContact CE1-CG 3.86Å; Y134-F172 HydrophobicContact CD2-CB 3.84Å; Y134-F172 AromaticContact CD2-CD1 3.89Å; Y134-F172 HydrophobicContact CD2-CD1 3.89Å; Y134-F172 HydrophobicContact CD2-CD2 4.25Å; Y134-F172 AromaticContact CD2-CG 3.73Å; Y134-F172 HydrophobicContact CD2-CG 3.73Å; Y134-F172 HydrophobicContact CE2-CB 4.28Å; Y134-F172 HydrophobicContact CG-CD1 4.21Å; Y134-F172 HydrophobicContact CG-CG 4.5Å
135	Y	85.5	Confident	86.2	Confident	12 Å²	12	61.8 Å²	61.8	5%	0.047	33%	0.334	C	S	.	.	H	α-helix	trans	-66.7	-28.6	-179.3	-82.7	-105.1	0	0	0	113	I131 I138 K139 R140 S141 A145 H146 R149	I131-Y135 HydrophobicContact CG2-CD2 3.87Å; I131-Y135 HydrophobicContact CG2-CE2 4Å; I131-Y135 WeakPolarHBondContact O-CD2 3.39Å; I131-Y135 PolarHBondContact O-N 2.95Å; Y135-I138 HydrophobicContact CD1-CD1 4.45Å; Y135-I138 WeakPolarHBondContact O-CG1 3.4Å; Y135-K139 PolarHBondContact O-N 3.18Å; Y135-R140 HydrophobicContact CD1-CB 3.95Å; Y135-R140 PolarHBondContact O-N 2.87Å; Y135-S141 PolarHBondContact O-N 3.15Å; Y135-A145 WeakPolarHBondContact CE1-O 3.44Å; Y135-A145 PolarHBondContact OH-O 2.75Å; Y135-H146 WeakPolarHBondContact CB-CD2 3.47Å; Y135-H146 HydrophobicContact CD1-CB 3.49Å; Y135-H146 VanDerWaalsContact CD1-CB 3.49Å; Y135-H146 AromaticContact CD1-CD2 3.73Å; Y135-H146 AromaticContact CD1-CG 3.91Å; Y135-H146 AromaticContact CD2-CD2 3.54Å; Y135-H146 VanDerWaalsContact CE1-CA 3.44Å; Y135-H146 HydrophobicContact CE1-CB 3.77Å; Y135-H146 HydrophobicContact CG-CB 4Å; Y135-H146 AromaticContact CG-CD2 3.25Å; Y135-H146 AromaticContact CG-CG 3.88Å; Y135-R149 HydrophobicContact CE2-CB 4.24Å; Y135-R149 HydrophobicContact CE2-CG 4.2Å; Y135-R149 WeakPolarHBondContact OH-CB 3.44Å
136	S	83.7	Confident	86.2	Confident	68 Å²	68	59.3 Å²	59.3	48%	0.476	32%	0.315	S	S	.	.	H	α-helix	trans	-67.7	-39.6	170.7	-59.5	0	0	0	0	112.1	N132 Q133 Y134 I138 K139 S141	N132-S136 WeakPolarHBondContact O-CB 3.49Å; N132-S136 PolarHBondContact O-N 3.47Å; N132-S136 PolarHBondContact O-OG 2.79Å; Q133-S136 PolarHBondContact O-N 3.08Å; Y134-S136 VanDerWaalsContact C-N 3.28Å; Y134-S136 PolarHBondContact O-N 2.96Å; S136-I138 VanDerWaalsContact C-N 3.28Å; S136-I138 PolarHBondContact O-N 3.24Å; S136-K139 PolarHBondContact O-N 3.34Å; S136-K139 VanDerWaalsContact O-N 3.1Å; S136-S141 WeakPolarHBondContact CA-OG 3.42Å; S136-S141 PolarHBondContact N-OG 3.04Å; S136-S141 PolarHBondContact OG-OG 3.36Å
137	S	79.9	Confident	86.2	Confident	65 Å²	65	62.7 Å²	62.7	46%	0.455	33%	0.331	S	S	.	.	H	α-helix	trans	-63.3	-34.1	179.2	76.5	0	0	0	0	113	Q133 Y134 F172	Q133-S137 PolarHBondContact O-N 3.2Å; Y134-S137 WeakPolarHBondContact O-CB 3.47Å; Y134-S137 PolarHBondContact O-N 2.96Å; Y134-S137 PolarHBondContact O-OG 3.42Å; S137-F172 VanDerWaalsContact OG-CE2 3.31Å; S137-F172 WeakPolarHBondContact OG-CE2 3.41Å
138	I	74.8	Confident	86	Confident	49 Å²	49	67.7 Å²	67.7	25%	0.251	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.6	14.3	175.9	65.2	172.7	0	0	0	113.4	Y134 Y135 S136 R140	Y134-I138 HydrophobicContact CE1-CD1 4.33Å; Y134-I138 HydrophobicContact CE2-CD1 4.36Å; Y134-I138 HydrophobicContact CE2-CG2 4.19Å; Y134-I138 PolarHBondContact O-N 2.79Å; Y135-I138 HydrophobicContact CD1-CD1 4.45Å; Y135-I138 WeakPolarHBondContact O-CG1 3.4Å; S136-I138 VanDerWaalsContact C-N 3.28Å; S136-I138 PolarHBondContact O-N 3.24Å; I138-R140 VanDerWaalsContact C-N 3.29Å; I138-R140 HydrophobicContact CD1-CB 4.33Å; I138-R140 HydrophobicContact CD1-CG 4.47Å; I138-R140 HydrophobicContact CG1-CB 4.14Å; I138-R140 HydrophobicContact CG1-CG 4.35Å; I138-R140 PolarHBondContact O-N 3.44Å
139	K	76.9	Confident	86	Confident	184 Å²	184	62.9 Å²	62.9	80%	0.8	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.7	31.1	178.1	-53.3	174.9	-177.2	170.5	0	115.2	Y135 S136	Y135-K139 PolarHBondContact O-N 3.18Å; S136-K139 PolarHBondContact O-N 3.34Å; S136-K139 VanDerWaalsContact O-N 3.1Å
140	R	72.1	Confident	86.1	Confident	129 Å²	129	60.2 Å²	60.2	49%	0.487	32%	0.322	S	S	.	.			trans	-116.8	13.7	-177.9	-70.8	-173.3	66.2	161.4	4.1	115.1	Y135 I138 G142 S143	Y135-R140 HydrophobicContact CD1-CB 3.95Å; Y135-R140 PolarHBondContact O-N 2.87Å; I138-R140 VanDerWaalsContact C-N 3.29Å; I138-R140 HydrophobicContact CD1-CB 4.33Å; I138-R140 HydrophobicContact CD1-CG 4.47Å; I138-R140 HydrophobicContact CG1-CB 4.14Å; I138-R140 HydrophobicContact CG1-CG 4.35Å; I138-R140 PolarHBondContact O-N 3.44Å; R140-G142 PolarHBondContact O-N 2.93Å; R140-S143 WeakPolarHBondContact O-CB 3.27Å; R140-S143 PolarHBondContact O-N 3.38Å; R140-S143 VanDerWaalsContact O-N 3.12Å; R140-S143 PolarHBondContact O-OG 2.96Å
141	S	86.7	Confident	86.1	Confident	63 Å²	63	66.3 Å²	66.3	44%	0.441	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.8	134.4	172.6	-52.9	0	0	0	0	111.3	Y135 S136 S143	Y135-S141 PolarHBondContact O-N 3.15Å; S136-S141 WeakPolarHBondContact CA-OG 3.42Å; S136-S141 PolarHBondContact N-OG 3.04Å; S136-S141 PolarHBondContact OG-OG 3.36Å; S141-S143 VanDerWaalsContact C-N 3.26Å; S141-S143 PolarHBondContact O-N 2.93Å
142	G	84.1	Confident	86	Confident	57 Å²	57	68.9 Å²	68.9	59%	0.588	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.1	8.6	-176.9	0	0	0	0	0	115.4	R140 H146	R140-G142 PolarHBondContact O-N 2.93Å; G142-H146 PolarHBondContact N-ND1 3.02Å
143	S	76.8	Confident	86	Confident	33 Å²	33	65.9 Å²	65.9	23%	0.231	35%	0.347	C	S	.	.	S	Bend	trans	-79.8	154.3	168.6	67.6	0	0	0	0	111.5	R140 S141 A145 H146 E147	R140-S143 WeakPolarHBondContact O-CB 3.27Å; R140-S143 PolarHBondContact O-N 3.38Å; R140-S143 VanDerWaalsContact O-N 3.12Å; R140-S143 PolarHBondContact O-OG 2.96Å; S141-S143 VanDerWaalsContact C-N 3.26Å; S141-S143 PolarHBondContact O-N 2.93Å; S143-A145 PolarHBondContact O-N 2.85Å; S143-A145 VanDerWaalsContact O-N 3.09Å; S143-H146 WeakPolarHBondContact O-CA 3.16Å; S143-H146 WeakPolarHBondContact O-CB 3.37Å; S143-H146 PolarHBondContact O-N 3.03Å; S143-E147 PolarHBondContact O-N 3.38Å
144	Q	80	Confident	86.2	Confident	160 Å²	160	65.7 Å²	65.7	75%	0.748	35%	0.345	S	S	*	.	H	α-helix	trans	-51.2	-38.2	178.1	-172.8	-176.4	14.1	0	0	113	H146 E147 Q148	Q144-H146 VanDerWaalsContact C-N 3.27Å; Q144-H146 PolarHBondContact O-N 2.74Å; Q144-E147 PolarHBondContact O-N 3.1Å; Q144-Q148 VanDerWaalsContact O-CB 3.3Å; Q144-Q148 WeakPolarHBondContact O-CB 3.34Å; Q144-Q148 PolarHBondContact O-N 2.73Å
145	A	72.9	Confident	86.4	Confident	34 Å²	34	67.5 Å²	67.5	28%	0.281	37%	0.365	S	S	.	.	H	α-helix	trans	-71.8	-16.1	177.7	0	0	0	0	0	114.2	Y135 S143 R149	Y135-A145 WeakPolarHBondContact CE1-O 3.44Å; Y135-A145 PolarHBondContact OH-O 2.75Å; S143-A145 PolarHBondContact O-N 2.85Å; S143-A145 VanDerWaalsContact O-N 3.09Å; A145-R149 WeakPolarHBondContact O-CB 3.21Å
146	H	91	Very high	86.8	Confident	11 Å²	11	69.4 Å²	69.4	5%	0.051	38%	0.375	C	S	.	.	H	α-helix	trans	-79.9	-51.2	170.2	178.9	-126	0	0	0	110.3	N132 Y135 G142 S143 Q144 Q148 R149 L150	N132-H146 PolarHBondContact OD1-CE1 3.28Å; N132-H146 PolarHBondContact OD1-NE2 2.84Å; Y135-H146 WeakPolarHBondContact CB-CD2 3.47Å; Y135-H146 HydrophobicContact CD1-CB 3.49Å; Y135-H146 VanDerWaalsContact CD1-CB 3.49Å; Y135-H146 AromaticContact CD1-CD2 3.73Å; Y135-H146 AromaticContact CD1-CG 3.91Å; Y135-H146 AromaticContact CD2-CD2 3.54Å; Y135-H146 VanDerWaalsContact CE1-CA 3.44Å; Y135-H146 HydrophobicContact CE1-CB 3.77Å; Y135-H146 HydrophobicContact CG-CB 4Å; Y135-H146 AromaticContact CG-CD2 3.25Å; Y135-H146 AromaticContact CG-CG 3.88Å; G142-H146 PolarHBondContact N-ND1 3.02Å; S143-H146 WeakPolarHBondContact O-CA 3.16Å; S143-H146 WeakPolarHBondContact O-CB 3.37Å; S143-H146 PolarHBondContact O-N 3.03Å; Q144-H146 VanDerWaalsContact C-N 3.27Å; Q144-H146 PolarHBondContact O-N 2.74Å; H146-Q148 PolarHBondContact O-N 2.91Å; H146-R149 PolarHBondContact O-N 3.06Å; H146-R149 VanDerWaalsContact O-N 3.08Å; H146-L150 PolarHBondContact O-N 3.5Å
147	E	92.4	Very high	87.2	Confident	105 Å²	105	66.4 Å²	66.4	49%	0.491	35%	0.353	S	S	.	.	H	α-helix	trans	-61	-44.7	180	-61.4	180	157.3	0	0	111.5	S143 Q144 R149 L150 Q151	S143-E147 PolarHBondContact O-N 3.38Å; Q144-E147 PolarHBondContact O-N 3.1Å; E147-R149 VanDerWaalsContact C-N 3.31Å; E147-R149 PolarHBondContact O-N 2.7Å; E147-L150 PolarHBondContact O-N 3.07Å; E147-Q151 WeakPolarHBondContact O-CG 3.16Å; E147-Q151 PolarHBondContact O-N 3.09Å
148	Q	90	Very high	87.7	Confident	104 Å²	104	67.5 Å²	67.5	49%	0.486	37%	0.367	S	S	.	.	H	α-helix	trans	-58.4	-41.2	173	-177.2	-179.5	-8.9	0	0	111.9	Q144 H146 Q151 E152	Q144-Q148 VanDerWaalsContact O-CB 3.3Å; Q144-Q148 WeakPolarHBondContact O-CB 3.34Å; Q144-Q148 PolarHBondContact O-N 2.73Å; H146-Q148 PolarHBondContact O-N 2.91Å; Q148-Q151 PolarHBondContact O-N 3.1Å; Q148-E152 WeakPolarHBondContact O-CG 3.23Å; Q148-E152 PolarHBondContact O-N 2.88Å
149	R	95.4	Very high	88.4	Confident	4 Å²	4	69.2 Å²	69.2	2%	0.015	39%	0.388	C	S	.	.	H	α-helix	trans	-70.7	-34.2	-179.4	-175.6	52.1	175.3	147.1	13.7	112.6	I131 Y135 A145 H146 E147 E152 V153 E156 Q164 E169	I131-R149 HydrophobicContact CD1-CG 4.36Å; I131-R149 HydrophobicContact CG2-CG 4.34Å; Y135-R149 HydrophobicContact CE2-CB 4.24Å; Y135-R149 HydrophobicContact CE2-CG 4.2Å; Y135-R149 WeakPolarHBondContact OH-CB 3.44Å; A145-R149 WeakPolarHBondContact O-CB 3.21Å; H146-R149 PolarHBondContact O-N 3.06Å; H146-R149 VanDerWaalsContact O-N 3.08Å; E147-R149 VanDerWaalsContact C-N 3.31Å; E147-R149 PolarHBondContact O-N 2.7Å; R149-E152 WeakPolarHBondContact CD-OE2 3.47Å; R149-E152 IonicContact CZ-OE2 3.48Å; R149-E152 IonicContact NE-OE2 2.76Å; R149-E152 IonicContact NH1-OE2 3.16Å; R149-E152 PolarHBondContact NH1-OE2 3.27Å; R149-E152 PolarHBondContact O-N 3.42Å; R149-V153 WeakPolarHBondContact O-CG2 3.48Å; R149-V153 PolarHBondContact O-N 3.15Å; R149-V153 VanDerWaalsContact O-N 3.07Å; R149-E156 IonicContact CZ-OE1 3.47Å; R149-E156 IonicContact NH1-OE1 2.73Å; R149-E156 PolarHBondContact NH1-OE1 3.25Å; R149-Q164 PolarHBondContact NH2-O 3.37Å; R149-E169 IonicContact CZ-OE1 3.47Å; R149-E169 IonicContact CZ-OE2 2.68Å; R149-E169 IonicContact NE-OE1 3.25Å; R149-E169 PolarHBondContact NE-OE1 3.23Å; R149-E169 IonicContact NE-OE2 3.01Å; R149-E169 IonicContact NH2-OE1 3.28Å; R149-E169 IonicContact NH2-OE2 3.48Å; R149-E169 PolarHBondContact NH2-OE2 3.4Å
150	L	96.1	Very high	88.9	Confident	29 Å²	29	64.7 Å²	64.7	15%	0.152	38%	0.376	C	S	.	.	H	α-helix	trans	-63.2	-44.3	170.9	-67.6	170.8	0	0	0	110.9	R128 I131 H146 E147 V153 E154	R128-L150 HydrophobicContact CB-CD2 4.45Å; R128-L150 HydrophobicContact CG-CD2 4.2Å; I131-L150 HydrophobicContact CB-CD2 3.85Å; I131-L150 HydrophobicContact CG2-CD2 3.6Å; I131-L150 HydrophobicContact CG2-CG 4.11Å; H146-L150 PolarHBondContact O-N 3.5Å; E147-L150 PolarHBondContact O-N 3.07Å; L150-V153 PolarHBondContact O-N 3.34Å; L150-E154 WeakPolarHBondContact O-CB 3.44Å; L150-E154 VanDerWaalsContact O-CG 3.31Å; L150-E154 WeakPolarHBondContact O-CG 3.26Å; L150-E154 PolarHBondContact O-N 3.21Å
151	Q	95.7	Very high	89.6	Confident	129 Å²	129	59.8 Å²	59.8	60%	0.603	37%	0.365	S	S	*	.	H	α-helix	trans	-64	-39.8	176.2	-68.4	170.8	12.7	0	0	113	E147 Q148 E154 A155	E147-Q151 WeakPolarHBondContact O-CG 3.16Å; E147-Q151 PolarHBondContact O-N 3.09Å; Q148-Q151 PolarHBondContact O-N 3.1Å; Q151-E154 PolarHBondContact O-N 2.89Å; Q151-A155 WeakPolarHBondContact O-CB 3.5Å; Q151-A155 PolarHBondContact O-N 3.02Å
152	E	95.6	Very high	89.8	Confident	54 Å²	54	57.6 Å²	57.6	25%	0.252	35%	0.349	S	S	.	.	H	α-helix	trans	-57.3	-52.4	172.1	-75.8	170.6	-154.5	0	0	111.3	Q148 R149 E154 A155 E156 R166	Q148-E152 WeakPolarHBondContact O-CG 3.23Å; Q148-E152 PolarHBondContact O-N 2.88Å; R149-E152 WeakPolarHBondContact CD-OE2 3.47Å; R149-E152 IonicContact CZ-OE2 3.48Å; R149-E152 IonicContact NE-OE2 2.76Å; R149-E152 IonicContact NH1-OE2 3.16Å; R149-E152 PolarHBondContact NH1-OE2 3.27Å; R149-E152 PolarHBondContact O-N 3.42Å; E152-E154 VanDerWaalsContact C-N 3.3Å; E152-E154 PolarHBondContact O-N 2.75Å; E152-A155 PolarHBondContact O-N 3.28Å; E152-A155 VanDerWaalsContact O-N 3.16Å; E152-E156 WeakPolarHBondContact O-CG 3.46Å; E152-E156 PolarHBondContact O-N 3.04Å; E152-R166 IonicContact OE1-NH2 2.62Å; E152-R166 PolarHBondContact OE1-NH2 2.89Å; E152-R166 IonicContact OE2-CZ 3.58Å; E152-R166 IonicContact OE2-NE 3.58Å; E152-R166 IonicContact OE2-NH2 3.56Å; E152-R166 PolarHBondContact OE2-NH2 3.2Å
153	V	95.8	Very high	90.3	Very high	2 Å²	2	55 Å²	55	1%	0.012	32%	0.322	C	S	.	.	H	α-helix	trans	-62	-38.8	-179	168.2	0	0	0	0	111.3	A127 I131 R149 L150 E156 V157 Y163	A127-V153 HydrophobicContact CB-CG1 3.77Å; I131-V153 HydrophobicContact CG1-CG2 4.47Å; R149-V153 WeakPolarHBondContact O-CG2 3.48Å; R149-V153 PolarHBondContact O-N 3.15Å; R149-V153 VanDerWaalsContact O-N 3.07Å; L150-V153 PolarHBondContact O-N 3.34Å; V153-E156 PolarHBondContact O-N 3.38Å; V153-V157 WeakPolarHBondContact O-CG2 3.38Å; V153-V157 PolarHBondContact O-N 3.06Å; V153-Y163 HydrophobicContact CB-CD2 4.45Å; V153-Y163 HydrophobicContact CG1-CD1 4.27Å; V153-Y163 HydrophobicContact CG1-CD2 3.89Å; V153-Y163 HydrophobicContact CG1-CE2 4.23Å; V153-Y163 HydrophobicContact CG1-CG 3.91Å; V153-Y163 HydrophobicContact CG2-CD2 3.83Å; V153-Y163 HydrophobicContact CG2-CE2 4.23Å
154	E	94.9	Very high	91	Very high	65 Å²	65	57.4 Å²	57.4	30%	0.304	33%	0.329	S	S	.	.	H	α-helix	trans	-64.6	-40.3	175.5	-73.3	174.2	-149.8	0	0	112.4	L124 R128 L150 Q151 E152 A158	L124-E154 HydrophobicContact CD2-CB 4.36Å; L124-E154 HydrophobicContact CD2-CG 3.87Å; R128-E154 IonicContact CZ-OE1 3.5Å; R128-E154 IonicContact CZ-OE2 3.21Å; R128-E154 IonicContact NE-OE1 2.77Å; R128-E154 PolarHBondContact NE-OE1 3.04Å; R128-E154 IonicContact NH2-OE1 3.17Å; R128-E154 PolarHBondContact NH2-OE1 3.43Å; R128-E154 IonicContact NH2-OE2 3.8Å; R128-E154 PolarHBondContact NH2-OE2 3.08Å; L150-E154 WeakPolarHBondContact O-CB 3.44Å; L150-E154 VanDerWaalsContact O-CG 3.31Å; L150-E154 WeakPolarHBondContact O-CG 3.26Å; L150-E154 PolarHBondContact O-N 3.21Å; Q151-E154 PolarHBondContact O-N 2.89Å; E152-E154 VanDerWaalsContact C-N 3.3Å; E152-E154 PolarHBondContact O-N 2.75Å; E154-A158 VanDerWaalsContact O-CB 3.26Å; E154-A158 WeakPolarHBondContact O-CB 3.46Å; E154-A158 PolarHBondContact O-N 3.41Å
155	A	94.3	Very high	91.7	Very high	61 Å²	61	50.1 Å²	50.1	50%	0.504	30%	0.295	S	S	.	.	H	α-helix	trans	-69.3	-40	174.8	0	0	0	0	0	112.6	Q151 E152 A158 A159	Q151-A155 WeakPolarHBondContact O-CB 3.5Å; Q151-A155 PolarHBondContact O-N 3.02Å; E152-A155 PolarHBondContact O-N 3.28Å; E152-A155 VanDerWaalsContact O-N 3.16Å; A155-A158 PolarHBondContact O-N 3.14Å; A155-A159 VanDerWaalsContact O-CB 3.25Å; A155-A159 WeakPolarHBondContact O-CB 3.22Å; A155-A159 PolarHBondContact O-N 3.14Å
156	E	93.9	Very high	92.6	Very high	52 Å²	52	53.3 Å²	53.3	24%	0.243	30%	0.3	C	S	.	.	H	α-helix	trans	-58.5	-49.8	175.1	-74.8	-179.3	-123.1	0	0	111.1	R149 E152 V153 A159 T160 T162 Y163 Q164	R149-E156 IonicContact CZ-OE1 3.47Å; R149-E156 IonicContact NH1-OE1 2.73Å; R149-E156 PolarHBondContact NH1-OE1 3.25Å; E152-E156 WeakPolarHBondContact O-CG 3.46Å; E152-E156 PolarHBondContact O-N 3.04Å; V153-E156 PolarHBondContact O-N 3.38Å; E156-A159 PolarHBondContact O-N 3.43Å; E156-T160 PolarHBondContact O-N 3.15Å; E156-T160 PolarHBondContact O-OG1 3.38Å; E156-T162 CarbonylContact C-O 3.46Å; E156-T162 VanDerWaalsContact O-O 3.05Å; E156-Y163 WeakPolarHBondContact OE2-CA 3.42Å; E156-Y163 WeakPolarHBondContact OE2-CB 3.26Å; E156-Q164 PolarHBondContact OE2-N 3.1Å
157	V	91.8	Very high	92.3	Very high	4 Å²	4	59.1 Å²	59.1	2%	0.024	33%	0.327	C	S	.	.	H	α-helix	trans	-68.3	-39.5	179.6	-179.9	0	0	0	0	111.5	P120 L123 L124 V153 A159 G161 T162 Y163	P120-V157 HydrophobicContact CB-CG1 4.08Å; L123-V157 HydrophobicContact CD2-CG1 4.3Å; L123-V157 HydrophobicContact CD2-CG2 4.17Å; L123-V157 HydrophobicContact CG-CG2 4.43Å; L124-V157 HydrophobicContact CD1-CG1 4.48Å; L124-V157 HydrophobicContact CD2-CB 3.81Å; L124-V157 HydrophobicContact CD2-CG1 4.13Å; L124-V157 HydrophobicContact CD2-CG2 4.02Å; L124-V157 HydrophobicContact CG-CB 4.21Å; L124-V157 HydrophobicContact CG-CG1 3.96Å; V153-V157 WeakPolarHBondContact O-CG2 3.38Å; V153-V157 PolarHBondContact O-N 3.06Å; V157-A159 VanDerWaalsContact C-N 3.32Å; V157-A159 PolarHBondContact O-N 3.32Å; V157-G161 VanDerWaalsContact O-CA 3.25Å; V157-G161 WeakPolarHBondContact O-CA 3.49Å; V157-G161 PolarHBondContact O-N 2.65Å; V157-T162 VanDerWaalsContact CA-O 3.25Å; V157-T162 WeakPolarHBondContact CA-O 3.29Å; V157-T162 PolarHBondContact N-O 3.07Å; V157-Y163 HydrophobicContact CG2-CD1 4.01Å; V157-Y163 HydrophobicContact CG2-CG 4.37Å
158	A	90.1	Very high	91.7	Very high	89 Å²	89	56.1 Å²	56.1	74%	0.736	32%	0.318	S	S	*	.	H	α-helix	trans	-64.1	-35.2	176.1	0	0	0	0	0	112.9	E154 A155	E154-A158 VanDerWaalsContact O-CB 3.26Å; E154-A158 WeakPolarHBondContact O-CB 3.46Å; E154-A158 PolarHBondContact O-N 3.41Å; A155-A158 PolarHBondContact O-N 3.14Å
159	A	90.4	Very high	91.9	Very high	85 Å²	85	51.2 Å²	51.2	70%	0.702	30%	0.295	S	S	*	.	H	α-helix	trans	-84.4	-29.5	-178.7	0	0	0	0	0	114.2	A155 E156 V157	A155-A159 VanDerWaalsContact O-CB 3.25Å; A155-A159 WeakPolarHBondContact O-CB 3.22Å; A155-A159 PolarHBondContact O-N 3.14Å; E156-A159 PolarHBondContact O-N 3.43Å; V157-A159 VanDerWaalsContact C-N 3.32Å; V157-A159 PolarHBondContact O-N 3.32Å
160	T	87	Confident	91.8	Very high	89 Å²	89	51 Å²	51	55%	0.546	30%	0.295	S	S	.	.	H	α-helix	trans	-128.7	-9	-169.3	72.5	0	0	0	0	115.3	E156 T162	E156-T160 PolarHBondContact O-N 3.15Å; E156-T160 PolarHBondContact O-OG1 3.38Å; T160-T162 PolarHBondContact O-N 2.99Å; T160-T162 PolarHBondContact OG1-N 3.29Å; T160-T162 PolarHBondContact OG1-O 3Å
161	G	86.7	Confident	91.4	Very high	25 Å²	25	51.8 Å²	51.8	26%	0.258	30%	0.3	S	S	.	.	S	Bend	trans	73.6	5	-170.6	0	0	0	0	0	114.4	V157	V157-G161 VanDerWaalsContact O-CA 3.25Å; V157-G161 WeakPolarHBondContact O-CA 3.49Å; V157-G161 PolarHBondContact O-N 2.65Å
162	T	90.9	Very high	91.3	Very high	18 Å²	18	47.2 Å²	47.2	11%	0.11	28%	0.279	C	S	.	.	S	Bend	trans	-152.2	-179.3	178.1	-163.4	0	0	0	0	111.1	E156 V157 T160 Q233 L346	E156-T162 CarbonylContact C-O 3.46Å; E156-T162 VanDerWaalsContact O-O 3.05Å; V157-T162 VanDerWaalsContact CA-O 3.25Å; V157-T162 WeakPolarHBondContact CA-O 3.29Å; V157-T162 PolarHBondContact N-O 3.07Å; T160-T162 PolarHBondContact O-N 2.99Å; T160-T162 PolarHBondContact OG1-N 3.29Å; T160-T162 PolarHBondContact OG1-O 3Å; T162-Q233 PolarHBondContact OG1-NE2 3.23Å; T162-L346 WeakPolarHBondContact OG1-CD2 3.49Å
163	Y	93.9	Very high	91.2	Very high	2 Å²	2	44.7 Å²	44.7	1%	0.008	27%	0.267	C	S	.	.			trans	-144.9	168.9	173.9	76.7	-77.5	0	0	0	111	L123 A127 V153 E156 V157 L165 Q233 G344 L346	L123-Y163 HydrophobicContact CD1-CD1 4.43Å; L123-Y163 HydrophobicContact CD1-CE1 4.07Å; L123-Y163 HydrophobicContact CG-CD1 4.47Å; L123-Y163 HydrophobicContact CG-CE1 4.5Å; A127-Y163 HydrophobicContact CB-CD1 4.12Å; A127-Y163 HydrophobicContact CB-CE1 3.4Å; A127-Y163 VanDerWaalsContact CB-CE1 3.4Å; A127-Y163 HydrophobicContact CB-CE2 4.37Å; V153-Y163 HydrophobicContact CB-CD2 4.45Å; V153-Y163 HydrophobicContact CG1-CD1 4.27Å; V153-Y163 HydrophobicContact CG1-CD2 3.89Å; V153-Y163 HydrophobicContact CG1-CE2 4.23Å; V153-Y163 HydrophobicContact CG1-CG 3.91Å; V153-Y163 HydrophobicContact CG2-CD2 3.83Å; V153-Y163 HydrophobicContact CG2-CE2 4.23Å; E156-Y163 WeakPolarHBondContact OE2-CA 3.42Å; E156-Y163 WeakPolarHBondContact OE2-CB 3.26Å; V157-Y163 HydrophobicContact CG2-CD1 4.01Å; V157-Y163 HydrophobicContact CG2-CG 4.37Å; Y163-L165 HydrophobicContact CE2-CD2 3.72Å; Y163-Q233 PolarHBondContact O-NE2 3.36Å; Y163-G344 PolarHBondContact OH-O 3.45Å; Y163-L346 HydrophobicContact CD1-CD1 4.01Å; Y163-L346 HydrophobicContact CD1-CD2 3.85Å; Y163-L346 HydrophobicContact CD1-CG 4.06Å; Y163-L346 HydrophobicContact CD2-CD1 4.27Å; Y163-L346 HydrophobicContact CE1-CD1 3.64Å; Y163-L346 HydrophobicContact CE1-CD2 3.79Å; Y163-L346 HydrophobicContact CE1-CG 3.53Å; Y163-L346 HydrophobicContact CE2-CD1 3.97Å; Y163-L346 HydrophobicContact CG-CD1 4.3Å; Y163-L346 WeakPolarHBondContact O-CD1 3.45Å
164	Q	93.1	Very high	91.2	Very high	84 Å²	84	44.6 Å²	44.6	39%	0.393	27%	0.266	S	S	.	.			trans	-113.4	132.1	178.8	-72	-59.5	-39.9	0	0	112.2	R149 E156 Q233	R149-Q164 PolarHBondContact NH2-O 3.37Å; E156-Q164 PolarHBondContact OE2-N 3.1Å; Q164-Q233 VanDerWaalsContact NE2-CD 3.29Å
165	L	94.6	Very high	91.2	Very high	6 Å²	6	43.2 Å²	43.2	3%	0.031	26%	0.259	C	S	.	.			trans	-71.5	137.2	169.9	-59.5	174.9	0	0	0	110.9	F130 Y163 E169 L170 R199 I343 L346 F348	F130-L165 HydrophobicContact CD1-CD2 4.24Å; F130-L165 HydrophobicContact CE1-CD2 3.78Å; Y163-L165 HydrophobicContact CE2-CD2 3.72Å; L165-E169 WeakPolarHBondContact CA-OE2 3.45Å; L165-E169 HydrophobicContact CB-CB 4.14Å; L165-E169 HydrophobicContact CD2-CB 4.16Å; L165-L170 HydrophobicContact CB-CB 4.29Å; L165-L170 HydrophobicContact CD1-CB 4.38Å; L165-L170 HydrophobicContact CD1-CD1 3.87Å; L165-R199 VanDerWaalsContact O-CZ 3.31Å; L165-R199 PolarHBondContact O-NH1 3.5Å; L165-R199 PolarHBondContact O-NH2 3.4Å; L165-I343 HydrophobicContact CD1-CB 4.06Å; L165-I343 HydrophobicContact CD1-CD1 4.11Å; L165-I343 HydrophobicContact CD1-CG2 3.77Å; L165-I343 HydrophobicContact CD2-CG2 4.38Å; L165-L346 HydrophobicContact CD1-CD1 4.41Å; L165-L346 HydrophobicContact CD2-CD1 4.18Å; L165-L346 HydrophobicContact CG-CD1 3.86Å; L165-F348 HydrophobicContact CD1-CE2 4.11Å; L165-F348 HydrophobicContact CD1-CZ 3.8Å
166	R	92.1	Very high	91.3	Very high	101 Å²	101	40.9 Å²	40.9	38%	0.381	24%	0.238	S	C	.	.			trans	-66.3	160.3	162.4	-60.9	178.1	174.5	-170.9	-4.3	110	E152 S168 E169 L170	E152-R166 IonicContact OE1-NH2 2.62Å; E152-R166 PolarHBondContact OE1-NH2 2.89Å; E152-R166 IonicContact OE2-CZ 3.58Å; E152-R166 IonicContact OE2-NE 3.58Å; E152-R166 IonicContact OE2-NH2 3.56Å; E152-R166 PolarHBondContact OE2-NH2 3.2Å; R166-S168 VanDerWaalsContact C-N 3.31Å; R166-S168 PolarHBondContact O-N 3.45Å; R166-E169 HydrophobicContact CB-CB 4.33Å; R166-E169 HydrophobicContact CB-CG 4.02Å; R166-E169 WeakPolarHBondContact CD-OE1 3.48Å; R166-E169 PolarHBondContact N-OE2 2.95Å; R166-E169 WeakPolarHBondContact O-CB 3.43Å; R166-E169 PolarHBondContact O-N 3.12Å; R166-E169 VanDerWaalsContact O-N 3.14Å; R166-L170 PolarHBondContact O-N 3.27Å
167	E	83.6	Confident	91.4	Very high	133 Å²	133	38.4 Å²	38.4	62%	0.621	23%	0.226	S	C	*	.	H	α-helix	trans	-56.5	-43.8	-178.9	-172.9	-179.4	174.6	0	0	111.9	L170 V171	E167-L170 PolarHBondContact O-N 3.23Å; E167-V171 VanDerWaalsContact O-CG2 3.25Å; E167-V171 WeakPolarHBondContact O-CG2 3.36Å; E167-V171 PolarHBondContact O-N 2.98Å
168	S	79.9	Confident	91.5	Very high	43 Å²	43	38.6 Å²	38.6	30%	0.301	23%	0.226	S	C	.	.	H	α-helix	trans	-66.7	-37.3	176.8	57.4	0	0	0	0	113.5	Y134 R166 V171 F172	Y134-S168 VanDerWaalsContact OH-CB 3.29Å; Y134-S168 WeakPolarHBondContact OH-CB 3.5Å; Y134-S168 PolarHBondContact OH-OG 3.45Å; R166-S168 VanDerWaalsContact C-N 3.31Å; R166-S168 PolarHBondContact O-N 3.45Å; S168-V171 PolarHBondContact O-N 3.35Å; S168-F172 WeakPolarHBondContact O-CB 3.45Å; S168-F172 PolarHBondContact O-N 3.47Å
169	E	93.5	Very high	91.7	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-63.5	-45.6	174.7	-68.1	166.7	-173.8	0	0	110.3	F130 I131 Y134 R149 L165 R166 F172 G173	F130-E169 HydrophobicContact CE1-CB 4.21Å; F130-E169 WeakPolarHBondContact CZ-O 3.3Å; I131-E169 HydrophobicContact CD1-CG 4.18Å; Y134-E169 HydrophobicContact CD1-CG 3.81Å; Y134-E169 HydrophobicContact CE1-CG 3.86Å; R149-E169 IonicContact CZ-OE1 3.47Å; R149-E169 IonicContact CZ-OE2 2.68Å; R149-E169 IonicContact NE-OE1 3.25Å; R149-E169 PolarHBondContact NE-OE1 3.23Å; R149-E169 IonicContact NE-OE2 3.01Å; R149-E169 IonicContact NH2-OE1 3.28Å; R149-E169 IonicContact NH2-OE2 3.48Å; R149-E169 PolarHBondContact NH2-OE2 3.4Å; L165-E169 WeakPolarHBondContact CA-OE2 3.45Å; L165-E169 HydrophobicContact CB-CB 4.14Å; L165-E169 HydrophobicContact CD2-CB 4.16Å; R166-E169 HydrophobicContact CB-CB 4.33Å; R166-E169 HydrophobicContact CB-CG 4.02Å; R166-E169 WeakPolarHBondContact CD-OE1 3.48Å; R166-E169 PolarHBondContact N-OE2 2.95Å; R166-E169 WeakPolarHBondContact O-CB 3.43Å; R166-E169 PolarHBondContact O-N 3.12Å; R166-E169 VanDerWaalsContact O-N 3.14Å; E169-F172 PolarHBondContact O-N 3.29Å; E169-G173 PolarHBondContact O-N 3.13Å
170	L	94.3	Very high	91.9	Very high	1 Å²	1	32.2 Å²	32.2	1%	0.005	17%	0.166	C	C	.	.	H	α-helix	trans	-61.3	-45.5	175.3	-176.8	73.5	0	0	0	111.9	L165 R166 E167 G173 A174 V195 D197 V230 I343 F348	L165-L170 HydrophobicContact CB-CB 4.29Å; L165-L170 HydrophobicContact CD1-CB 4.38Å; L165-L170 HydrophobicContact CD1-CD1 3.87Å; R166-L170 PolarHBondContact O-N 3.27Å; E167-L170 PolarHBondContact O-N 3.23Å; L170-G173 PolarHBondContact O-N 3.19Å; L170-A174 WeakPolarHBondContact O-CB 3.31Å; L170-A174 PolarHBondContact O-N 3.28Å; L170-V195 HydrophobicContact CD2-CG1 4.44Å; L170-D197 HydrophobicContact CD2-CB 3.78Å; L170-D197 WeakPolarHBondContact CD2-OD2 3.28Å; L170-V230 HydrophobicContact CD1-CB 4.47Å; L170-V230 HydrophobicContact CD1-CG1 4.15Å; L170-V230 HydrophobicContact CD2-CB 4.44Å; L170-I343 HydrophobicContact CD1-CD1 3.99Å; L170-F348 HydrophobicContact CD1-CE1 4.4Å; L170-F348 HydrophobicContact CD1-CZ 4.25Å
171	V	87.3	Confident	92.2	Very high	45 Å²	45	28.7 Å²	28.7	27%	0.273	15%	0.145	S	C	.	.	H	α-helix	trans	-61.6	-45.2	178.8	170.9	0	0	0	0	111.3	E167 S168 K175 V195	E167-V171 VanDerWaalsContact O-CG2 3.25Å; E167-V171 WeakPolarHBondContact O-CG2 3.36Å; E167-V171 PolarHBondContact O-N 2.98Å; S168-V171 PolarHBondContact O-N 3.35Å; V171-K175 HydrophobicContact CG1-CD 4.21Å; V171-K175 WeakPolarHBondContact O-CB 3.49Å; V171-K175 VanDerWaalsContact O-CG 3.32Å; V171-K175 WeakPolarHBondContact O-CG 3.42Å; V171-K175 PolarHBondContact O-N 3.01Å; V171-V195 HydrophobicContact CG1-CG2 4.42Å; V171-V195 HydrophobicContact CG2-CB 4.1Å; V171-V195 HydrophobicContact CG2-CG1 4.39Å; V171-V195 HydrophobicContact CG2-CG2 4.41Å
172	F	93.3	Very high	92.4	Very high	33 Å²	33	28 Å²	28	15%	0.145	14%	0.136	C	C	.	.	H	α-helix	trans	-62	-48.3	175.3	173.1	-105	0	0	0	111.4	F130 Q133 Y134 S137 S168 E169 A174 K175 Q176	F130-F172 HydrophobicContact CD2-CE1 4.43Å; F130-F172 AromaticContact CE2-CD1 3.57Å; F130-F172 HydrophobicContact CE2-CD1 3.57Å; F130-F172 AromaticContact CE2-CE1 3.77Å; F130-F172 HydrophobicContact CE2-CE1 3.77Å; F130-F172 AromaticContact CZ-CD1 3.72Å; F130-F172 HydrophobicContact CZ-CD1 3.72Å; F130-F172 HydrophobicContact CZ-CE1 4.31Å; Q133-F172 HydrophobicContact CB-CE1 4.27Å; Q133-F172 HydrophobicContact CB-CZ 4.37Å; Y134-F172 HydrophobicContact CD2-CB 3.84Å; Y134-F172 AromaticContact CD2-CD1 3.89Å; Y134-F172 HydrophobicContact CD2-CD1 3.89Å; Y134-F172 HydrophobicContact CD2-CD2 4.25Å; Y134-F172 AromaticContact CD2-CG 3.73Å; Y134-F172 HydrophobicContact CD2-CG 3.73Å; Y134-F172 HydrophobicContact CE2-CB 4.28Å; Y134-F172 HydrophobicContact CG-CD1 4.21Å; Y134-F172 HydrophobicContact CG-CG 4.5Å; S137-F172 VanDerWaalsContact OG-CE2 3.31Å; S137-F172 WeakPolarHBondContact OG-CE2 3.41Å; S168-F172 WeakPolarHBondContact O-CB 3.45Å; S168-F172 PolarHBondContact O-N 3.47Å; E169-F172 PolarHBondContact O-N 3.29Å; F172-A174 PolarHBondContact O-N 3.4Å; F172-K175 PolarHBondContact O-N 3.29Å; F172-Q176 WeakPolarHBondContact O-CB 3.48Å; F172-Q176 PolarHBondContact O-N 2.92Å
173	G	94.9	Very high	92.3	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-60.4	-46.4	-178.9	0	0	0	0	0	113.5	E169 L170 Q176 A177 P471	E169-G173 PolarHBondContact O-N 3.13Å; L170-G173 PolarHBondContact O-N 3.19Å; G173-Q176 PolarHBondContact O-N 3.22Å; G173-A177 WeakPolarHBondContact O-CB 3.19Å; G173-A177 PolarHBondContact O-N 3.01Å; G173-P471 WeakPolarHBondContact O-CB 3.32Å
174	A	95.8	Very high	92.2	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-66.4	-39	178.3	0	0	0	0	0	112.7	L170 F172 A177 W178 V195 I228 L341	L170-A174 WeakPolarHBondContact O-CB 3.31Å; L170-A174 PolarHBondContact O-N 3.28Å; F172-A174 PolarHBondContact O-N 3.4Å; A174-A177 PolarHBondContact O-N 3.39Å; A174-W178 PolarHBondContact O-N 2.8Å; A174-V195 HydrophobicContact CB-CG1 4.49Å; A174-V195 HydrophobicContact CB-CG2 4.01Å; A174-I228 HydrophobicContact CB-CG2 4.19Å; A174-L341 HydrophobicContact CB-CD2 4.4Å
175	K	94.8	Very high	92.2	Very high	37 Å²	37	26.8 Å²	26.8	16%	0.161	13%	0.133	C	C	.	.	H	α-helix	trans	-63.4	-45.5	173.6	-77.5	-178.1	-178.6	-167.1	0	111.8	V171 F172 W178 R179 W190 G191 L193	V171-K175 HydrophobicContact CG1-CD 4.21Å; V171-K175 WeakPolarHBondContact O-CB 3.49Å; V171-K175 VanDerWaalsContact O-CG 3.32Å; V171-K175 WeakPolarHBondContact O-CG 3.42Å; V171-K175 PolarHBondContact O-N 3.01Å; F172-K175 PolarHBondContact O-N 3.29Å; K175-W178 PolarHBondContact O-N 2.88Å; K175-R179 PolarHBondContact O-N 2.6Å; K175-W190 HydrophobicContact CB-CE3 4.08Å; K175-W190 HydrophobicContact CB-CZ3 4.31Å; K175-G191 WeakPolarHBondContact CE-O 3.4Å; K175-G191 PolarHBondContact NZ-O 2.99Å; K175-L193 WeakPolarHBondContact CE-O 3.36Å; K175-L193 HydrophobicContact CG-CB 4.07Å
176	Q	94.9	Very high	91.8	Very high	12 Å²	12	27.5 Å²	27.5	6%	0.056	14%	0.141	C	C	.	.	H	α-helix	trans	-67.8	-35.1	179.2	-170.6	72.2	-14	0	0	111.8	F172 G173 W178 R179 N180 P471	F172-Q176 WeakPolarHBondContact O-CB 3.48Å; F172-Q176 PolarHBondContact O-N 2.92Å; G173-Q176 PolarHBondContact O-N 3.22Å; Q176-W178 VanDerWaalsContact C-N 3.34Å; Q176-W178 PolarHBondContact O-N 3.44Å; Q176-R179 WeakPolarHBondContact O-CB 3.46Å; Q176-R179 PolarHBondContact O-N 3.37Å; Q176-N180 WeakPolarHBondContact O-CB 2.98Å; Q176-N180 PolarHBondContact O-N 2.91Å; Q176-N180 PolarHBondContact O-ND2 3.43Å; Q176-P471 HydrophobicContact CB-CG 4.29Å; Q176-P471 HydrophobicContact CG-CG 4.33Å
177	A	95.7	Very high	91.6	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-61.2	-38.6	173.3	0	0	0	0	0	112.8	G173 A174 N180 A181 L341 P471 F473	G173-A177 WeakPolarHBondContact O-CB 3.19Å; G173-A177 PolarHBondContact O-N 3.01Å; A174-A177 PolarHBondContact O-N 3.39Å; A177-N180 PolarHBondContact O-N 3.25Å; A177-A181 PolarHBondContact O-N 2.94Å; A177-L341 HydrophobicContact CB-CD1 3.48Å; A177-L341 VanDerWaalsContact CB-CD1 3.48Å; A177-P471 WeakPolarHBondContact CA-O 3.5Å; A177-P471 HydrophobicContact CB-CB 3.96Å; A177-F473 HydrophobicContact CB-CD2 4.09Å; A177-F473 HydrophobicContact CB-CE2 3.92Å; A177-F473 HydrophobicContact CB-CZ 4.4Å
178	W	95.6	Very high	91.6	Very high	7 Å²	7	17.7 Å²	17.7	3%	0.027	10%	0.1	C	C	.	.	H	α-helix	trans	-71.9	-40.9	174.1	-174.9	21.9	0	0	0	112.2	A174 K175 Q176 N180 A181 C184 Q189 W190 L193 S226 F353 F473	A174-W178 PolarHBondContact O-N 2.8Å; K175-W178 PolarHBondContact O-N 2.88Å; Q176-W178 VanDerWaalsContact C-N 3.34Å; Q176-W178 PolarHBondContact O-N 3.44Å; W178-N180 PolarHBondContact O-N 3.09Å; W178-A181 WeakPolarHBondContact O-CB 3.32Å; W178-A181 PolarHBondContact O-N 3.32Å; W178-A181 VanDerWaalsContact O-N 3.09Å; W178-C184 PolarHBondContact NE1-SG 3.34Å; W178-Q189 HydrophobicContact CH2-CB 4.25Å; W178-W190 HydrophobicContact CD2-CB 4.34Å; W178-W190 HydrophobicContact CE3-CB 4.17Å; W178-L193 HydrophobicContact CB-CD2 4.48Å; W178-L193 HydrophobicContact CE3-CB 3.86Å; W178-L193 HydrophobicContact CE3-CD1 4.09Å; W178-L193 HydrophobicContact CE3-CD2 4.05Å; W178-L193 HydrophobicContact CE3-CG 4.22Å; W178-L193 HydrophobicContact CZ3-CB 3.99Å; W178-L193 HydrophobicContact CZ3-CD1 4.2Å; W178-S226 VanDerWaalsContact CH2-OG 3.32Å; W178-S226 WeakPolarHBondContact CH2-OG 3.41Å; W178-F353 HydrophobicContact CB-CE2 4.49Å; W178-F353 AromaticContact CD1-CZ 3.99Å; W178-F353 AromaticContact CD2-CE2 3.62Å; W178-F353 HydrophobicContact CD2-CE2 3.62Å; W178-F353 AromaticContact CD2-CZ 3.71Å; W178-F353 HydrophobicContact CD2-CZ 3.71Å; W178-F353 AromaticContact CE2-CE2 3.97Å; W178-F353 AromaticContact CE2-CZ 3.53Å; W178-F353 AromaticContact CE3-CE2 3.84Å; W178-F353 HydrophobicContact CE3-CE2 3.84Å; W178-F353 HydrophobicContact CE3-CZ 4.22Å; W178-F353 AromaticContact CG-CE2 3.89Å; W178-F353 HydrophobicContact CG-CE2 3.89Å; W178-F353 HydrophobicContact CG-CZ 4.06Å; W178-F353 HydrophobicContact CH2-CZ 4.45Å; W178-F353 AromaticContact CZ2-CZ 3.95Å; W178-F353 HydrophobicContact CZ2-CZ 3.95Å; W178-F353 HydrophobicContact CZ3-CE2 4.39Å; W178-F353 AromaticContact NE1-CZ 3.68Å; W178-F473 HydrophobicContact CB-CE2 4.03Å
179	R	94.4	Very high	91.7	Very high	37 Å²	37	16.6 Å²	16.6	14%	0.14	9%	0.09	C	C	.	.	H	α-helix	trans	-56.5	-36.3	172.9	-167.6	-169.1	-175.7	174.7	1.3	112.4	K175 Q176 W190 E434	K175-R179 PolarHBondContact O-N 2.6Å; Q176-R179 WeakPolarHBondContact O-CB 3.46Å; Q176-R179 PolarHBondContact O-N 3.37Å; R179-W190 HydrophobicContact CB-CB 4.1Å; R179-W190 HydrophobicContact CB-CD2 3.72Å; R179-W190 HydrophobicContact CB-CE3 3.92Å; R179-W190 HydrophobicContact CB-CG 3.78Å; R179-W190 HydrophobicContact CG-CD2 3.72Å; R179-W190 HydrophobicContact CG-CE3 4.24Å; R179-W190 HydrophobicContact CG-CG 3.86Å; R179-W190 HydrophobicContact CG-CZ2 4.4Å; R179-E434 IonicContact CZ-OE1 2.75Å; R179-E434 VanDerWaalsContact CZ-OE1 3.25Å; R179-E434 IonicContact CZ-OE2 3.29Å; R179-E434 VanDerWaalsContact NE-CD 3.29Å; R179-E434 IonicContact NE-OE1 3.96Å; R179-E434 PolarHBondContact NE-OE1 3.38Å; R179-E434 IonicContact NE-OE2 3.57Å; R179-E434 PolarHBondContact NE-OE2 3.02Å; R179-E434 IonicContact NH2-OE1 3.47Å; R179-E434 PolarHBondContact NH2-OE1 2.84Å; R179-E434 IonicContact NH2-OE2 2.91Å; R179-E434 PolarHBondContact NH2-OE2 2.74Å
180	N	94.1	Very high	91.5	Very high	4 Å²	4	19.5 Å²	19.5	2%	0.021	10%	0.102	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83	-6.9	179.2	-71.4	-14.9	0	0	0	114.3	Q176 A177 W178 P182 R438 P442 L469 P471	Q176-N180 WeakPolarHBondContact O-CB 2.98Å; Q176-N180 PolarHBondContact O-N 2.91Å; Q176-N180 PolarHBondContact O-ND2 3.43Å; A177-N180 PolarHBondContact O-N 3.25Å; W178-N180 PolarHBondContact O-N 3.09Å; N180-P182 WeakPolarHBondContact O-CD 3.39Å; N180-R438 PolarHBondContact OD1-NH1 3.09Å; N180-R438 PolarHBondContact OD1-NH2 3.37Å; N180-P442 WeakPolarHBondContact O-CG 3.29Å; N180-L469 HydrophobicContact CB-CB 4.27Å; N180-P471 PolarHBondContact ND2-O 2.99Å
181	A	92.4	Very high	90.7	Very high	14 Å²	14	20.7 Å²	20.7	12%	0.116	11%	0.114	C	C	.	.			trans	-76.1	106.7	-168.3	0	0	0	0	0	113.2	A177 W178 R183 C184 R187 F473	A177-A181 PolarHBondContact O-N 2.94Å; W178-A181 WeakPolarHBondContact O-CB 3.32Å; W178-A181 PolarHBondContact O-N 3.32Å; W178-A181 VanDerWaalsContact O-N 3.09Å; A181-R183 PolarHBondContact O-N 2.84Å; A181-C184 HydrophobicContact CB-CB 4.31Å; A181-C184 PolarHBondContact O-N 3.12Å; A181-R187 PolarHBondContact O-NH1 3.18Å; A181-F473 HydrophobicContact CB-CD2 4.35Å
182	P	90.8	Very high	90.4	Very high	10 Å²	10	22.5 Å²	22.5	7%	0.065	12%	0.118	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-18	-168.6	26.3	-34.8	0	0	0	114.4	N180 R187 P442 D444 F468	N180-P182 WeakPolarHBondContact O-CD 3.39Å; P182-R187 PolarHBondContact O-NH1 3.04Å; P182-P442 WeakPolarHBondContact CA-O 3.11Å; P182-P442 HydrophobicContact CB-CB 4.32Å; P182-D444 PolarHBondContact O-N 2.87Å; P182-F468 HydrophobicContact CG-CD1 4.2Å; P182-F468 HydrophobicContact CG-CE1 3.6Å; P182-F468 HydrophobicContact CG-CZ 3.99Å
183	R	90.3	Very high	90	Very high	26 Å²	26	21.1 Å²	21.1	10%	0.098	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.1	10	-177.8	-70.4	-179.4	163.5	-133.9	-17.6	114.6	V104 A181 D444 W447	V104-R183 PolarHBondContact O-NH1 2.75Å; V104-R183 PolarHBondContact O-NH2 2.91Å; A181-R183 PolarHBondContact O-N 2.84Å; R183-D444 HydrophobicContact CG-CB 3.83Å; R183-D444 IonicContact CZ-OD2 2.92Å; R183-D444 IonicContact NE-OD2 2.72Å; R183-D444 PolarHBondContact NE-OD2 3.49Å; R183-D444 IonicContact NH2-OD2 3.23Å; R183-D444 PolarHBondContact NH2-OD2 2.83Å; R183-W447 HydrophobicContact CB-CD2 4.42Å; R183-W447 HydrophobicContact CB-CG 3.95Å; R183-W447 HydrophobicContact CG-CB 4.02Å; R183-W447 HydrophobicContact CG-CD2 4.4Å; R183-W447 HydrophobicContact CG-CG 3.89Å; R183-W447 PolarHBondContact O-NE1 2.93Å
184	C	91.6	Very high	89.6	Confident	32 Å²	32	24.5 Å²	24.5	22%	0.216	13%	0.128	C	C	.	.			trans	-105.2	116.2	172.5	-168.9	0	0	0	0	111.1	W178 A181 R187	W178-C184 PolarHBondContact NE1-SG 3.34Å; A181-C184 HydrophobicContact CB-CB 4.31Å; A181-C184 PolarHBondContact O-N 3.12Å; C184-R187 HydrophobicContact CB-CB 4.13Å; C184-R187 WeakPolarHBondContact O-CD 3.25Å; C184-R187 WeakPolarHBondContact O-CG 3.45Å; C184-R187 PolarHBondContact O-NH1 2.74Å
185	V	91.8	Very high	89.2	Confident	22 Å²	22	25.1 Å²	25.1	13%	0.133	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.3	-39.9	175.6	67.9	0	0	0	0	111.9	R187 M358 A423 F427 I448	V185-R187 PolarHBondContact O-N 3.37Å; V185-R187 VanDerWaalsContact O-N 3.12Å; V185-M358 HydrophobicContact CG1-CE 4.32Å; V185-M358 HydrophobicContact CG1-SD 4.39Å; V185-A423 HydrophobicContact CG1-CB 4.47Å; V185-A423 HydrophobicContact CG2-CB 4.42Å; V185-F427 HydrophobicContact CG2-CB 3.75Å; V185-F427 HydrophobicContact CG2-CD2 4.19Å; V185-F427 HydrophobicContact CG2-CG 4.22Å; V185-I448 HydrophobicContact CB-CD1 4.03Å; V185-I448 HydrophobicContact CG2-CG2 4.48Å
186	G	87.3	Confident	88.9	Confident	20 Å²	20	26.1 Å²	26.1	21%	0.206	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.3	10.8	-177.2	0	0	0	0	0	116.1	I188	G186-I188 PolarHBondContact O-N 3.21Å
187	R	87.2	Confident	88.7	Confident	0 Å²	0	28.2 Å²	28.2	0%	0	15%	0.148	C	C	.	.	G	3₁₀ helix	trans	-71.8	2	-169	69.9	-177.4	-176.7	-122.7	6.3	116	A181 P182 C184 V185 Q189 W190 H430 C441 P442	A181-R187 PolarHBondContact O-NH1 3.18Å; P182-R187 PolarHBondContact O-NH1 3.04Å; C184-R187 HydrophobicContact CB-CB 4.13Å; C184-R187 WeakPolarHBondContact O-CD 3.25Å; C184-R187 WeakPolarHBondContact O-CG 3.45Å; C184-R187 PolarHBondContact O-NH1 2.74Å; V185-R187 PolarHBondContact O-N 3.37Å; V185-R187 VanDerWaalsContact O-N 3.12Å; R187-Q189 PolarHBondContact O-N 3.42Å; R187-W190 WeakPolarHBondContact O-CB 3.46Å; R187-W190 VanDerWaalsContact O-CD1 3.32Å; R187-W190 PolarHBondContact O-N 3.48Å; R187-W190 VanDerWaalsContact O-N 3.12Å; R187-H430 PolarHBondContact NE-CD2 2.86Å; R187-H430 PolarHBondContact NE-NE2 3.18Å; R187-C441 PolarHBondContact NH2-SG 3.39Å; R187-P442 PolarHBondContact NH1-O 3.08Å; R187-P442 PolarHBondContact NH2-O 2.7Å
188	I	85.1	Confident	88.5	Confident	28 Å²	28	28.2 Å²	28.2	14%	0.144	15%	0.148	C	C	.	.	G	3₁₀ helix	trans	-58.1	-29.8	173.9	-167.2	166.8	0	0	0	112.5	G186 W190 S426 K429 H430	G186-I188 PolarHBondContact O-N 3.21Å; I188-W190 VanDerWaalsContact C-N 3.26Å; I188-W190 PolarHBondContact O-N 3.43Å; I188-S426 WeakPolarHBondContact CG2-OG 3.47Å; I188-K429 HydrophobicContact CD1-CB 4.29Å; I188-K429 HydrophobicContact CD1-CD 4.31Å; I188-K429 HydrophobicContact CD1-CG 4.27Å; I188-H430 HydrophobicContact CB-CB 4Å; I188-H430 HydrophobicContact CD1-CB 4.36Å; I188-H430 HydrophobicContact CG1-CB 4.14Å
189	Q	81.1	Confident	88.5	Confident	20 Å²	20	30.1 Å²	30.1	9%	0.093	16%	0.155	C	C	.	.	G	3₁₀ helix	trans	-84.7	15.3	179.4	-58.1	-60	-67.7	0	0	113.7	W178 R187 G191 K192 W356 T636	W178-Q189 HydrophobicContact CH2-CB 4.25Å; R187-Q189 PolarHBondContact O-N 3.42Å; Q189-G191 PolarHBondContact O-N 3.36Å; Q189-G191 VanDerWaalsContact O-N 3.09Å; Q189-K192 WeakPolarHBondContact O-CB 3.35Å; Q189-K192 PolarHBondContact O-N 3.23Å; Q189-K192 VanDerWaalsContact OE1-CD 3.32Å; Q189-K192 VanDerWaalsContact OE1-CE 3.28Å; Q189-W356 HydrophobicContact CB-CH2 4.22Å; Q189-W356 HydrophobicContact CG-CH2 3.91Å; Q189-W356 HydrophobicContact CG-CZ2 4.45Å; Q189-T636 PolarHBondContact NE2-O 2.8Å
190	W	88.8	Confident	88.4	Confident	62 Å²	62	33.2 Å²	33.2	24%	0.235	18%	0.175	C	C	.	.	G	3₁₀ helix	trans	-50.9	-38	-173.6	68	-86	0	0	0	114.6	K175 W178 R179 R187 I188 K192 L193	K175-W190 HydrophobicContact CB-CE3 4.08Å; K175-W190 HydrophobicContact CB-CZ3 4.31Å; W178-W190 HydrophobicContact CD2-CB 4.34Å; W178-W190 HydrophobicContact CE3-CB 4.17Å; R179-W190 HydrophobicContact CB-CB 4.1Å; R179-W190 HydrophobicContact CB-CD2 3.72Å; R179-W190 HydrophobicContact CB-CE3 3.92Å; R179-W190 HydrophobicContact CB-CG 3.78Å; R179-W190 HydrophobicContact CG-CD2 3.72Å; R179-W190 HydrophobicContact CG-CE3 4.24Å; R179-W190 HydrophobicContact CG-CG 3.86Å; R179-W190 HydrophobicContact CG-CZ2 4.4Å; R187-W190 WeakPolarHBondContact O-CB 3.46Å; R187-W190 VanDerWaalsContact O-CD1 3.32Å; R187-W190 PolarHBondContact O-N 3.48Å; R187-W190 VanDerWaalsContact O-N 3.12Å; I188-W190 VanDerWaalsContact C-N 3.26Å; I188-W190 PolarHBondContact O-N 3.43Å; W190-K192 PolarHBondContact O-N 3.05Å; W190-L193 WeakPolarHBondContact O-CB 3.16Å; W190-L193 PolarHBondContact O-N 3.22Å
191	G	78.7	Confident	88.2	Confident	26 Å²	26	33.3 Å²	33.3	27%	0.268	18%	0.175	S	C	.	.	G	3₁₀ helix	trans	-63.9	-22.4	177.5	0	0	0	0	0	114.7	K175 Q189	K175-G191 WeakPolarHBondContact CE-O 3.4Å; K175-G191 PolarHBondContact NZ-O 2.99Å; Q189-G191 PolarHBondContact O-N 3.36Å; Q189-G191 VanDerWaalsContact O-N 3.09Å
192	K	79.6	Confident	88	Confident	83 Å²	83	41.7 Å²	41.7	36%	0.361	20%	0.204	S	C	.	.	G	3₁₀ helix	trans	-91.6	4.1	-179.1	-61	-173.9	-173.8	164.6	0	114.2	Q189 W190 Q194 N635	Q189-K192 WeakPolarHBondContact O-CB 3.35Å; Q189-K192 PolarHBondContact O-N 3.23Å; Q189-K192 VanDerWaalsContact OE1-CD 3.32Å; Q189-K192 VanDerWaalsContact OE1-CE 3.28Å; W190-K192 PolarHBondContact O-N 3.05Å; K192-Q194 PolarHBondContact O-N 3.17Å; K192-N635 PolarHBondContact NZ-O 2.96Å
193	L	85.8	Confident	87.9	Confident	4 Å²	4	42.2 Å²	42.2	2%	0.021	21%	0.208	C	C	.	.			trans	-60.2	121.5	177.6	-176.5	59.3	0	0	0	111.3	K175 W178 W190 V195 I228 F353	K175-L193 WeakPolarHBondContact CE-O 3.36Å; K175-L193 HydrophobicContact CG-CB 4.07Å; W178-L193 HydrophobicContact CB-CD2 4.48Å; W178-L193 HydrophobicContact CE3-CB 3.86Å; W178-L193 HydrophobicContact CE3-CD1 4.09Å; W178-L193 HydrophobicContact CE3-CD2 4.05Å; W178-L193 HydrophobicContact CE3-CG 4.22Å; W178-L193 HydrophobicContact CZ3-CB 3.99Å; W178-L193 HydrophobicContact CZ3-CD1 4.2Å; W190-L193 WeakPolarHBondContact O-CB 3.16Å; W190-L193 PolarHBondContact O-N 3.22Å; L193-V195 HydrophobicContact CG-CG2 4.43Å; L193-I228 HydrophobicContact CD1-CB 4.32Å; L193-I228 HydrophobicContact CD1-CG2 4.22Å; L193-I228 HydrophobicContact CD2-CB 4.39Å; L193-I228 HydrophobicContact CD2-CG2 3.77Å; L193-I228 HydrophobicContact CG-CG2 3.97Å; L193-F353 HydrophobicContact CD1-CD2 4.05Å; L193-F353 HydrophobicContact CD1-CE2 3.78Å; L193-F353 HydrophobicContact CD2-CE2 4.41Å
194	Q	86.8	Confident	87.8	Confident	71 Å²	71	41 Å²	41	33%	0.332	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	128.8	165.8	-179.3	60.2	56.7	0	0	109.1	K192 F196 Y217 S226 A227 I228	K192-Q194 PolarHBondContact O-N 3.17Å; Q194-F196 HydrophobicContact CG-CD2 4.38Å; Q194-F196 HydrophobicContact CG-CE1 4.09Å; Q194-F196 HydrophobicContact CG-CE2 3.83Å; Q194-F196 HydrophobicContact CG-CZ 3.67Å; Q194-Y217 HydrophobicContact CB-CE1 3.71Å; Q194-Y217 HydrophobicContact CG-CE1 3.85Å; Q194-S226 PolarHBondContact N-O 3.48Å; Q194-A227 HydrophobicContact CB-CB 4.45Å; Q194-A227 CarbonylContact O-C 3.57Å; Q194-A227 VanDerWaalsContact O-CA 3.31Å; Q194-A227 WeakPolarHBondContact O-CA 3.21Å; Q194-I228 PolarHBondContact O-N 3.18Å
195	V	87.6	Confident	87.3	Confident	13 Å²	13	42.9 Å²	42.9	8%	0.079	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	132.9	173.5	-176.9	0	0	0	0	108.3	L170 V171 A174 L193 I228 V230	L170-V195 HydrophobicContact CD2-CG1 4.44Å; V171-V195 HydrophobicContact CG1-CG2 4.42Å; V171-V195 HydrophobicContact CG2-CB 4.1Å; V171-V195 HydrophobicContact CG2-CG1 4.39Å; V171-V195 HydrophobicContact CG2-CG2 4.41Å; A174-V195 HydrophobicContact CB-CG1 4.49Å; A174-V195 HydrophobicContact CB-CG2 4.01Å; L193-V195 HydrophobicContact CG-CG2 4.43Å; V195-I228 CarbonylContact C-O 3.58Å; V195-I228 WeakPolarHBondContact CA-O 3.39Å; V195-I228 HydrophobicContact CB-CG2 4.12Å; V195-I228 HydrophobicContact CG1-CG2 4.11Å; V195-I228 HydrophobicContact CG2-CG2 3.76Å; V195-V230 HydrophobicContact CG1-CG2 4.45Å
196	F	87.5	Confident	87	Confident	58 Å²	58	45.4 Å²	45.4	25%	0.254	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	109.4	168.2	-62.1	-72.9	0	0	0	107.9	Q194 A198 Y217 A227 I228 T229 V230	Q194-F196 HydrophobicContact CG-CD2 4.38Å; Q194-F196 HydrophobicContact CG-CE1 4.09Å; Q194-F196 HydrophobicContact CG-CE2 3.83Å; Q194-F196 HydrophobicContact CG-CZ 3.67Å; F196-A198 PolarHBondContact O-N 3.27Å; F196-Y217 AromaticContact CE2-CD1 3.91Å; F196-Y217 HydrophobicContact CE2-CD1 3.91Å; F196-Y217 HydrophobicContact CE2-CE1 4.44Å; F196-Y217 HydrophobicContact CE2-CG 4.11Å; F196-Y217 AromaticContact CZ-CD1 3.83Å; F196-Y217 HydrophobicContact CZ-CD1 3.83Å; F196-Y217 AromaticContact CZ-CD2 3.96Å; F196-Y217 HydrophobicContact CZ-CD2 3.96Å; F196-Y217 HydrophobicContact CZ-CE1 4.28Å; F196-Y217 HydrophobicContact CZ-CE2 4.39Å; F196-Y217 AromaticContact CZ-CG 3.66Å; F196-Y217 HydrophobicContact CZ-CG 3.66Å; F196-A227 HydrophobicContact CE2-CB 4.04Å; F196-I228 PolarHBondContact N-O 3.28Å; F196-T229 HydrophobicContact CB-CG2 4.08Å; F196-T229 WeakPolarHBondContact O-CA 3.25Å; F196-V230 PolarHBondContact O-N 2.68Å
197	D	90.1	Very high	87.2	Confident	56 Å²	56	44.4 Å²	44.4	30%	0.299	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	116.8	170.3	-164.7	-17.7	0	0	0	108.7	L170 R199	L170-D197 HydrophobicContact CD2-CB 3.78Å; L170-D197 WeakPolarHBondContact CD2-OD2 3.28Å; D197-R199 VanDerWaalsContact OD1-CB 3.29Å; D197-R199 WeakPolarHBondContact OD1-CB 3.17Å; D197-R199 WeakPolarHBondContact OD1-CG 3.37Å; D197-R199 IonicContact OD1-CZ 3.82Å; D197-R199 PolarHBondContact OD1-N 3.01Å; D197-R199 IonicContact OD1-NE 2.72Å; D197-R199 PolarHBondContact OD1-NE 3.12Å; D197-R199 IonicContact OD2-CZ 2.78Å; D197-R199 IonicContact OD2-NE 2.78Å; D197-R199 PolarHBondContact OD2-NE 2.69Å; D197-R199 VanDerWaalsContact OD2-NE 3.1Å; D197-R199 IonicContact OD2-NH2 2.83Å; D197-R199 PolarHBondContact OD2-NH2 3.38Å
198	A	93.3	Very high	87.3	Confident	0 Å²	0	44.9 Å²	44.9	0%	0	21%	0.211	C	C	.	.			trans	-125.4	25	177.3	0	0	0	0	0	110.6	F196 D200 C201 Y210 T229 V230 F231 P232	F196-A198 PolarHBondContact O-N 3.27Å; A198-D200 PolarHBondContact O-N 2.97Å; A198-C201 WeakPolarHBondContact O-CB 3.42Å; A198-C201 PolarHBondContact O-N 3.5Å; A198-C201 VanDerWaalsContact O-N 3.15Å; A198-Y210 HydrophobicContact CB-CD1 3.84Å; A198-Y210 HydrophobicContact CB-CD2 3.84Å; A198-Y210 HydrophobicContact CB-CE1 3.81Å; A198-Y210 HydrophobicContact CB-CE2 3.78Å; A198-Y210 HydrophobicContact CB-CG 3.86Å; A198-T229 HydrophobicContact CB-CG2 3.77Å; A198-V230 CarbonylContact C-O 3.57Å; A198-V230 VanDerWaalsContact C-O 3.29Å; A198-V230 WeakPolarHBondContact CA-O 3.35Å; A198-V230 WeakPolarHBondContact CB-O 3.21Å; A198-V230 PolarHBondContact N-O 3.47Å; A198-F231 HydrophobicContact CB-CD1 3.78Å; A198-F231 HydrophobicContact CB-CE1 3.85Å; A198-P232 WeakPolarHBondContact O-CD 3.34Å
199	R	94.8	Very high	87	Confident	47 Å²	47	45 Å²	45	18%	0.177	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-2.9	178.3	-63.3	177.9	-61.2	155.4	-12	113.9	L165 D197 V230 F348	L165-R199 VanDerWaalsContact O-CZ 3.31Å; L165-R199 PolarHBondContact O-NH1 3.5Å; L165-R199 PolarHBondContact O-NH2 3.4Å; D197-R199 VanDerWaalsContact OD1-CB 3.29Å; D197-R199 WeakPolarHBondContact OD1-CB 3.17Å; D197-R199 WeakPolarHBondContact OD1-CG 3.37Å; D197-R199 IonicContact OD1-CZ 3.82Å; D197-R199 PolarHBondContact OD1-N 3.01Å; D197-R199 IonicContact OD1-NE 2.72Å; D197-R199 PolarHBondContact OD1-NE 3.12Å; D197-R199 IonicContact OD2-CZ 2.78Å; D197-R199 IonicContact OD2-NE 2.78Å; D197-R199 PolarHBondContact OD2-NE 2.69Å; D197-R199 VanDerWaalsContact OD2-NE 3.1Å; D197-R199 IonicContact OD2-NH2 2.83Å; D197-R199 PolarHBondContact OD2-NH2 3.38Å; R199-V230 PolarHBondContact N-O 2.95Å; R199-F348 HydrophobicContact CG-CE1 4.36Å
200	D	91.3	Very high	87.3	Confident	102 Å²	102	46.4 Å²	46.4	55%	0.545	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87	-12	171.1	68.9	-14.1	0	0	0	113.9	A198 R202 Y210	A198-D200 PolarHBondContact O-N 2.97Å; D200-R202 VanDerWaalsContact O-CG 3.23Å; D200-R202 WeakPolarHBondContact O-CG 3.39Å; D200-Y210 PolarHBondContact OD1-OH 3.17Å
201	C	90.7	Very high	87.5	Confident	5 Å²	5	43.5 Å²	43.5	3%	0.034	21%	0.207	C	C	.	.			trans	-59.1	136.7	-176	-175.4	0	0	0	0	112.7	A198 E206 M207 Y210 F231 P232 F241	A198-C201 WeakPolarHBondContact O-CB 3.42Å; A198-C201 PolarHBondContact O-N 3.5Å; A198-C201 VanDerWaalsContact O-N 3.15Å; C201-E206 VanDerWaalsContact SG-CB 3.59Å; C201-M207 PolarHBondContact SG-N 2.75Å; C201-Y210 HydrophobicContact CB-CD2 4.23Å; C201-Y210 HydrophobicContact CB-CE2 3.99Å; C201-F231 HydrophobicContact CB-CD1 4.04Å; C201-F231 HydrophobicContact CB-CE1 4.46Å; C201-P232 HydrophobicContact CB-CG 4.4Å; C201-P232 WeakPolarHBondContact O-CG 3.43Å; C201-F241 WeakPolarHBondContact O-CZ 3.37Å
202	R	88.5	Confident	87.8	Confident	191 Å²	191	42.7 Å²	42.7	72%	0.721	20%	0.198	S	C	*	.			trans	-119.4	-23.2	-169.9	-52.3	-169.3	176	-158.5	-4.4	114.4	D200 E206	D200-R202 VanDerWaalsContact O-CG 3.23Å; D200-R202 WeakPolarHBondContact O-CG 3.39Å; R202-E206 PolarHBondContact N-OE2 2.96Å
203	S	88.3	Confident	87.7	Confident	21 Å²	21	40.1 Å²	40.1	15%	0.147	19%	0.188	C	C	.	.	S	Bend	trans	-140.9	159.8	-169.6	63.9	0	0	0	0	113	Q205 E206 M207	S203-Q205 PolarHBondContact O-N 2.76Å; S203-E206 PolarHBondContact O-N 3Å; S203-E206 WeakPolarHBondContact OG-CG 3.37Å; S203-E206 PolarHBondContact OG-N 2.81Å; S203-E206 PolarHBondContact OG-OE1 2.77Å; S203-M207 PolarHBondContact O-N 3.12Å
204	A	87.6	Confident	88	Confident	1 Å²	1	40 Å²	40	1%	0.008	19%	0.187	C	C	.	.	H	α-helix	trans	-63.4	-27.4	176	0	0	0	0	0	112.6	M207 F208 L293 A295 E301 F303	A204-M207 WeakPolarHBondContact O-CB 3.41Å; A204-M207 PolarHBondContact O-N 3.23Å; A204-F208 PolarHBondContact O-N 3.07Å; A204-L293 HydrophobicContact CB-CB 4.47Å; A204-A295 HydrophobicContact CB-CB 4.48Å; A204-E301 HydrophobicContact CB-CB 4.43Å; A204-F303 HydrophobicContact CB-CE2 4.06Å; A204-F303 HydrophobicContact CB-CZ 4.1Å; A204-F303 WeakPolarHBondContact O-CZ 3.47Å
205	Q	82.6	Confident	88.1	Confident	71 Å²	71	36.6 Å²	36.6	33%	0.332	17%	0.171	S	C	.	.	H	α-helix	trans	-74.2	-41	177.4	-57.7	78.1	24.4	0	0	111.8	S203 M207 F208 T209 E301 F303	S203-Q205 PolarHBondContact O-N 2.76Å; Q205-M207 VanDerWaalsContact C-N 3.31Å; Q205-F208 WeakPolarHBondContact O-CB 3.39Å; Q205-F208 PolarHBondContact O-N 2.84Å; Q205-T209 PolarHBondContact O-N 2.99Å; Q205-T209 PolarHBondContact O-OG1 3.41Å; Q205-T209 VanDerWaalsContact O-OG1 3.07Å; Q205-E301 PolarHBondContact NE2-OE1 3.03Å; Q205-E301 PolarHBondContact NE2-OE2 2.81Å; Q205-F303 HydrophobicContact CB-CE1 4.4Å; Q205-F303 HydrophobicContact CG-CE1 3.98Å; Q205-F303 HydrophobicContact CG-CZ 3.99Å
206	E	84.1	Confident	87.9	Confident	74 Å²	74	41.3 Å²	41.3	35%	0.346	19%	0.191	S	C	.	.	H	α-helix	trans	-62.3	-40.9	170.4	-73.9	161.9	-142.1	0	0	111.1	C201 R202 S203 F208 T209 Y210	C201-E206 VanDerWaalsContact SG-CB 3.59Å; R202-E206 PolarHBondContact N-OE2 2.96Å; S203-E206 PolarHBondContact O-N 3Å; S203-E206 WeakPolarHBondContact OG-CG 3.37Å; S203-E206 PolarHBondContact OG-N 2.81Å; S203-E206 PolarHBondContact OG-OE1 2.77Å; E206-F208 VanDerWaalsContact C-N 3.32Å; E206-F208 PolarHBondContact O-N 2.85Å; E206-T209 WeakPolarHBondContact O-CB 3.29Å; E206-T209 PolarHBondContact O-N 3.04Å; E206-T209 VanDerWaalsContact O-N 3.14Å; E206-Y210 WeakPolarHBondContact O-CD2 3.41Å; E206-Y210 PolarHBondContact O-N 2.82Å
207	M	91.5	Very high	87.6	Confident	0 Å²	0	42 Å²	42	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-58	-44.5	175.5	-163.8	-171.3	-160	0	0	111.5	C201 S203 A204 Q205 Y210 I211 F231 F241 I243 L293 A350	C201-M207 PolarHBondContact SG-N 2.75Å; S203-M207 PolarHBondContact O-N 3.12Å; A204-M207 WeakPolarHBondContact O-CB 3.41Å; A204-M207 PolarHBondContact O-N 3.23Å; Q205-M207 VanDerWaalsContact C-N 3.31Å; M207-Y210 PolarHBondContact O-N 3.5Å; M207-I211 HydrophobicContact CG-CD1 4.21Å; M207-I211 WeakPolarHBondContact O-CB 3.26Å; M207-I211 WeakPolarHBondContact O-CG1 3.43Å; M207-I211 PolarHBondContact O-N 3.04Å; M207-F231 HydrophobicContact CB-CE1 4.19Å; M207-F231 HydrophobicContact CB-CZ 4.43Å; M207-F231 HydrophobicContact CE-CD2 3.7Å; M207-F231 HydrophobicContact CE-CE2 3.97Å; M207-F231 HydrophobicContact CE-CG 4.01Å; M207-F231 HydrophobicContact CG-CD1 4.03Å; M207-F231 HydrophobicContact CG-CD2 4.34Å; M207-F231 HydrophobicContact CG-CE1 3.63Å; M207-F231 HydrophobicContact CG-CE2 3.95Å; M207-F231 HydrophobicContact CG-CG 4.37Å; M207-F231 HydrophobicContact CG-CZ 3.58Å; M207-F241 HydrophobicContact CE-CB 4.06Å; M207-F241 HydrophobicContact CE-CD1 4.38Å; M207-F241 HydrophobicContact SD-CD1 4.09Å; M207-I243 HydrophobicContact CE-CD1 4.25Å; M207-I243 HydrophobicContact CE-CG1 3.55Å; M207-I243 HydrophobicContact SD-CG1 4.46Å; M207-L293 HydrophobicContact SD-CB 4.19Å; M207-L293 HydrophobicContact SD-CD2 4.24Å; M207-A350 HydrophobicContact CE-CB 3.38Å
208	F	90.2	Very high	87.3	Confident	10 Å²	10	39.3 Å²	39.3	4%	0.044	18%	0.177	C	C	.	.	H	α-helix	trans	-61.2	-43.6	173.7	-176.4	-115.7	0	0	0	112.5	A204 Q205 E206 Y210 I211 C212 L291 L293 F303 L304 L305 V503	A204-F208 PolarHBondContact O-N 3.07Å; Q205-F208 WeakPolarHBondContact O-CB 3.39Å; Q205-F208 PolarHBondContact O-N 2.84Å; E206-F208 VanDerWaalsContact C-N 3.32Å; E206-F208 PolarHBondContact O-N 2.85Å; F208-Y210 PolarHBondContact O-N 3.42Å; F208-I211 WeakPolarHBondContact O-CB 3.34Å; F208-I211 PolarHBondContact O-N 2.94Å; F208-C212 VanDerWaalsContact CZ-SG 3.58Å; F208-C212 PolarHBondContact O-N 2.96Å; F208-C212 PolarHBondContact O-SG 3.31Å; F208-L291 HydrophobicContact CD2-CD1 4.15Å; F208-L291 HydrophobicContact CE2-CD1 4.18Å; F208-L293 HydrophobicContact CB-CD1 3.67Å; F208-L293 HydrophobicContact CD2-CD1 4.02Å; F208-L293 HydrophobicContact CG-CD1 4.33Å; F208-F303 HydrophobicContact CB-CD1 3.72Å; F208-F303 HydrophobicContact CB-CD2 4.45Å; F208-F303 HydrophobicContact CB-CE1 3.88Å; F208-F303 HydrophobicContact CB-CG 4.03Å; F208-F303 HydrophobicContact CB-CZ 4.32Å; F208-F303 HydrophobicContact CD1-CB 4.36Å; F208-F303 AromaticContact CD1-CD1 3.6Å; F208-F303 HydrophobicContact CD1-CD1 3.6Å; F208-F303 HydrophobicContact CD1-CE1 4.25Å; F208-F303 HydrophobicContact CD1-CG 4.25Å; F208-F303 HydrophobicContact CD2-CB 3.43Å; F208-F303 VanDerWaalsContact CD2-CB 3.43Å; F208-F303 AromaticContact CD2-CD1 3.96Å; F208-F303 HydrophobicContact CD2-CD1 3.96Å; F208-F303 AromaticContact CD2-CG 3.75Å; F208-F303 HydrophobicContact CD2-CG 3.75Å; F208-F303 HydrophobicContact CE1-CB 4.39Å; F208-F303 HydrophobicContact CE1-CD1 4.17Å; F208-F303 HydrophobicContact CE2-CB 3.48Å; F208-F303 VanDerWaalsContact CE2-CB 3.48Å; F208-F303 HydrophobicContact CE2-CD1 4.5Å; F208-F303 HydrophobicContact CE2-CG 4.26Å; F208-F303 HydrophobicContact CG-CB 3.9Å; F208-F303 AromaticContact CG-CD1 3.47Å; F208-F303 HydrophobicContact CG-CD1 3.47Å; F208-F303 VanDerWaalsContact CG-CD1 3.47Å; F208-F303 HydrophobicContact CG-CE1 4.12Å; F208-F303 AromaticContact CG-CG 3.74Å; F208-F303 HydrophobicContact CG-CG 3.74Å; F208-F303 HydrophobicContact CZ-CB 3.98Å; F208-L304 VanDerWaalsContact CZ-O 3.31Å; F208-L304 WeakPolarHBondContact CZ-O 3.25Å; F208-L305 HydrophobicContact CE2-CD2 4.15Å; F208-V503 HydrophobicContact CE1-CG2 4.18Å
209	T	78.6	Confident	86.9	Confident	30 Å²	30	40 Å²	40	18%	0.184	18%	0.182	C	C	.	.	H	α-helix	trans	-60.7	-44.1	176.6	-57.5	0	0	0	0	111.9	Q205 E206 I211 C212 N213 S506 M510	Q205-T209 PolarHBondContact O-N 2.99Å; Q205-T209 PolarHBondContact O-OG1 3.41Å; Q205-T209 VanDerWaalsContact O-OG1 3.07Å; E206-T209 WeakPolarHBondContact O-CB 3.29Å; E206-T209 PolarHBondContact O-N 3.04Å; E206-T209 VanDerWaalsContact O-N 3.14Å; T209-I211 VanDerWaalsContact C-N 3.34Å; T209-I211 PolarHBondContact O-N 3.44Å; T209-C212 PolarHBondContact O-N 3.11Å; T209-N213 PolarHBondContact O-N 3.49Å; T209-S506 PolarHBondContact OG1-OG 3.08Å; T209-S506 VanDerWaalsContact OG1-OG 3.14Å; T209-M510 HydrophobicContact CG2-CE 3.8Å; T209-M510 VanDerWaalsContact O-CE 3.31Å; T209-M510 WeakPolarHBondContact O-CE 3.45Å
210	Y	86.8	Confident	86.3	Confident	50 Å²	50	39 Å²	39	20%	0.196	18%	0.18	C	C	.	.	H	α-helix	trans	-63.8	-35.8	174.3	-84.9	-62.2	0	0	0	112.6	A198 D200 C201 E206 M207 F208 N213 H214 F231	A198-Y210 HydrophobicContact CB-CD1 3.84Å; A198-Y210 HydrophobicContact CB-CD2 3.84Å; A198-Y210 HydrophobicContact CB-CE1 3.81Å; A198-Y210 HydrophobicContact CB-CE2 3.78Å; A198-Y210 HydrophobicContact CB-CG 3.86Å; D200-Y210 PolarHBondContact OD1-OH 3.17Å; C201-Y210 HydrophobicContact CB-CD2 4.23Å; C201-Y210 HydrophobicContact CB-CE2 3.99Å; E206-Y210 WeakPolarHBondContact O-CD2 3.41Å; E206-Y210 PolarHBondContact O-N 2.82Å; M207-Y210 PolarHBondContact O-N 3.5Å; F208-Y210 PolarHBondContact O-N 3.42Å; Y210-N213 WeakPolarHBondContact O-CB 3.45Å; Y210-N213 PolarHBondContact O-N 3.03Å; Y210-H214 PolarHBondContact O-N 3.38Å; Y210-F231 AromaticContact CD2-CE1 3.88Å; Y210-F231 HydrophobicContact CD2-CE1 3.88Å; Y210-F231 AromaticContact CG-CE1 3.99Å; Y210-F231 HydrophobicContact CG-CE1 3.99Å; Y210-F231 HydrophobicContact CG-CZ 4.46Å
211	I	93.3	Very high	85.7	Confident	0 Å²	0	44.4 Å²	44.4	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-68.4	-43.8	174.5	-76.2	164.6	0	0	0	111.9	M207 F208 T209 N213 H214 I215 F231 I243 L248 L291 L293	M207-I211 HydrophobicContact CG-CD1 4.21Å; M207-I211 WeakPolarHBondContact O-CB 3.26Å; M207-I211 WeakPolarHBondContact O-CG1 3.43Å; M207-I211 PolarHBondContact O-N 3.04Å; F208-I211 WeakPolarHBondContact O-CB 3.34Å; F208-I211 PolarHBondContact O-N 2.94Å; T209-I211 VanDerWaalsContact C-N 3.34Å; T209-I211 PolarHBondContact O-N 3.44Å; I211-N213 VanDerWaalsContact C-N 3.29Å; I211-N213 PolarHBondContact O-N 2.72Å; I211-H214 WeakPolarHBondContact O-CB 3.28Å; I211-H214 PolarHBondContact O-N 3.42Å; I211-H214 VanDerWaalsContact O-N 3.15Å; I211-I215 HydrophobicContact CG2-CD1 4.06Å; I211-I215 WeakPolarHBondContact O-CG1 3.38Å; I211-I215 PolarHBondContact O-N 2.98Å; I211-F231 HydrophobicContact CD1-CE2 4.5Å; I211-F231 HydrophobicContact CG1-CE2 4.21Å; I211-F231 HydrophobicContact CG1-CZ 4.12Å; I211-I243 HydrophobicContact CD1-CD1 3.7Å; I211-I243 HydrophobicContact CD1-CG1 4.1Å; I211-I243 HydrophobicContact CG1-CD1 4.33Å; I211-L248 HydrophobicContact CD1-CD2 4.22Å; I211-L248 HydrophobicContact CG1-CD2 4.11Å; I211-L248 HydrophobicContact CG2-CD1 4.13Å; I211-L248 HydrophobicContact CG2-CD2 3.86Å; I211-L248 HydrophobicContact CG2-CG 4.47Å; I211-L291 HydrophobicContact CD1-CD1 4.45Å; I211-L291 HydrophobicContact CG2-CD1 3.54Å; I211-L293 HydrophobicContact CD1-CD1 3.89Å; I211-L293 HydrophobicContact CD1-CD2 3.58Å; I211-L293 HydrophobicContact CD1-CG 4.43Å
212	C	84.9	Confident	85.1	Confident	10 Å²	10	44.2 Å²	44.2	7%	0.068	19%	0.191	C	C	.	.	H	α-helix	trans	-60.2	-39.1	174	-71.4	0	0	0	0	112	F208 T209 K216 L309 M510	F208-C212 VanDerWaalsContact CZ-SG 3.58Å; F208-C212 PolarHBondContact O-N 2.96Å; F208-C212 PolarHBondContact O-SG 3.31Å; T209-C212 PolarHBondContact O-N 3.11Å; C212-K216 WeakPolarHBondContact O-CB 3.38Å; C212-K216 PolarHBondContact O-N 3.31Å; C212-L309 HydrophobicContact CB-CD1 3.7Å; C212-M510 HydrophobicContact CB-CE 3.96Å
213	N	77.7	Confident	84.7	Confident	29 Å²	29	40 Å²	40	16%	0.155	18%	0.183	C	C	.	.	H	α-helix	trans	-59.4	-47.9	171.5	-92.9	-34.8	0	0	0	112.1	T209 Y210 I211 I215 K216 Y217 M510	T209-N213 PolarHBondContact O-N 3.49Å; Y210-N213 WeakPolarHBondContact O-CB 3.45Å; Y210-N213 PolarHBondContact O-N 3.03Å; I211-N213 VanDerWaalsContact C-N 3.29Å; I211-N213 PolarHBondContact O-N 2.72Å; N213-I215 PolarHBondContact O-N 3.27Å; N213-K216 PolarHBondContact O-N 2.9Å; N213-Y217 WeakPolarHBondContact O-CB 3.49Å; N213-Y217 PolarHBondContact O-N 2.84Å; N213-M510 HydrophobicContact CB-CE 4.34Å; N213-M510 WeakPolarHBondContact OD1-CE 3.41Å; N213-M510 PolarHBondContact OD1-SD 2.85Å; N213-M510 VanDerWaalsContact OD1-SD 3.34Å
214	H	92	Very high	84.5	Confident	0 Å²	0	39.6 Å²	39.6	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-56	-51.8	178.3	-175.2	112.2	0	0	0	111.4	Y210 I211 K216 Y217 A218 A227 T229 P352 S354	Y210-H214 PolarHBondContact O-N 3.38Å; I211-H214 WeakPolarHBondContact O-CB 3.28Å; I211-H214 PolarHBondContact O-N 3.42Å; I211-H214 VanDerWaalsContact O-N 3.15Å; H214-K216 VanDerWaalsContact C-N 3.35Å; H214-K216 PolarHBondContact O-N 3.07Å; H214-Y217 PolarHBondContact O-N 2.95Å; H214-A218 WeakPolarHBondContact O-CB 3.47Å; H214-A218 PolarHBondContact O-N 3.21Å; H214-A227 PolarHBondContact CE1-O 2.93Å; H214-A227 VanDerWaalsContact CE1-O 3.3Å; H214-T229 PolarHBondContact ND1-OG1 2.64Å; H214-P352 PolarHBondContact CE1-O 2.97Å; H214-S354 VanDerWaalsContact NE2-CB 3.35Å; H214-S354 WeakPolarHBondContact NE2-CB 3.48Å; H214-S354 PolarHBondContact NE2-OG 2.78Å
215	I	89.7	Confident	84.3	Confident	1 Å²	1	42.1 Å²	42.1	1%	0.005	19%	0.188	C	C	.	.	H	α-helix	trans	-61.1	-44.3	-179.9	-61.7	166.7	0	0	0	110.6	I211 N213 T219 L248 V249 L305 L309 L333	I211-I215 HydrophobicContact CG2-CD1 4.06Å; I211-I215 WeakPolarHBondContact O-CG1 3.38Å; I211-I215 PolarHBondContact O-N 2.98Å; N213-I215 PolarHBondContact O-N 3.27Å; I215-T219 WeakPolarHBondContact O-CB 3.49Å; I215-T219 PolarHBondContact O-N 3.44Å; I215-T219 PolarHBondContact O-OG1 3.12Å; I215-L248 HydrophobicContact CD1-CB 4.2Å; I215-L248 HydrophobicContact CD1-CD1 4.42Å; I215-L248 HydrophobicContact CG1-CB 4.37Å; I215-L248 HydrophobicContact CG1-CD1 3.95Å; I215-V249 HydrophobicContact CD1-CG2 4.42Å; I215-L305 HydrophobicContact CD1-CD2 3.68Å; I215-L309 HydrophobicContact CG2-CB 4.05Å; I215-L309 WeakPolarHBondContact CG2-O 3.44Å; I215-L333 HydrophobicContact CB-CD2 4.32Å; I215-L333 HydrophobicContact CG1-CD2 4.37Å; I215-L333 HydrophobicContact CG2-CD2 4.14Å
216	K	82	Confident	84.7	Confident	112 Å²	112	39.3 Å²	39.3	49%	0.487	18%	0.177	S	C	.	.	H	α-helix	trans	-62.8	-45.3	179.9	-173	-178.6	177.7	-173.1	0	112.7	C212 N213 H214 N220 L309	C212-K216 WeakPolarHBondContact O-CB 3.38Å; C212-K216 PolarHBondContact O-N 3.31Å; N213-K216 PolarHBondContact O-N 2.9Å; H214-K216 VanDerWaalsContact C-N 3.35Å; H214-K216 PolarHBondContact O-N 3.07Å; K216-N220 PolarHBondContact O-N 3.28Å; K216-L309 HydrophobicContact CB-CD2 4.04Å; K216-L309 HydrophobicContact CG-CD2 4.31Å
217	Y	81.8	Confident	85.1	Confident	71 Å²	71	35.8 Å²	35.8	28%	0.278	16%	0.16	S	C	.	.	H	α-helix	trans	-68.3	-46	178.4	175.5	-89.2	0	0	0	111.9	Q194 F196 N213 H214 N220 R225 A227	Q194-Y217 HydrophobicContact CB-CE1 3.71Å; Q194-Y217 HydrophobicContact CG-CE1 3.85Å; F196-Y217 AromaticContact CE2-CD1 3.91Å; F196-Y217 HydrophobicContact CE2-CD1 3.91Å; F196-Y217 HydrophobicContact CE2-CE1 4.44Å; F196-Y217 HydrophobicContact CE2-CG 4.11Å; F196-Y217 AromaticContact CZ-CD1 3.83Å; F196-Y217 HydrophobicContact CZ-CD1 3.83Å; F196-Y217 AromaticContact CZ-CD2 3.96Å; F196-Y217 HydrophobicContact CZ-CD2 3.96Å; F196-Y217 HydrophobicContact CZ-CE1 4.28Å; F196-Y217 HydrophobicContact CZ-CE2 4.39Å; F196-Y217 AromaticContact CZ-CG 3.66Å; F196-Y217 HydrophobicContact CZ-CG 3.66Å; N213-Y217 WeakPolarHBondContact O-CB 3.49Å; N213-Y217 PolarHBondContact O-N 2.84Å; H214-Y217 PolarHBondContact O-N 2.95Å; Y217-N220 WeakPolarHBondContact O-CB 3.45Å; Y217-R225 HydrophobicContact CD1-CB 4.4Å; Y217-R225 HydrophobicContact CE1-CB 3.9Å; Y217-A227 HydrophobicContact CD1-CB 3.99Å; Y217-A227 HydrophobicContact CE1-CB 4.21Å
218	A	84.8	Confident	85.4	Confident	0 Å²	0	35.8 Å²	35.8	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-73.8	-33.9	-174.3	0	0	0	0	0	112.5	H214 L224 R225 A227 L333 S354	H214-A218 WeakPolarHBondContact O-CB 3.47Å; H214-A218 PolarHBondContact O-N 3.21Å; A218-L224 CarbonylContact O-C 3.58Å; A218-L224 VanDerWaalsContact O-CA 3.27Å; A218-L224 WeakPolarHBondContact O-CA 3.37Å; A218-R225 WeakPolarHBondContact CB-O 3.38Å; A218-R225 PolarHBondContact O-N 3.09Å; A218-A227 HydrophobicContact CB-CB 4.27Å; A218-L333 HydrophobicContact CB-CD1 3.62Å; A218-L333 HydrophobicContact CB-CD2 3.9Å; A218-L333 HydrophobicContact CB-CG 4.42Å; A218-S354 WeakPolarHBondContact CB-OG 3.3Å
219	T	84.9	Confident	85.7	Confident	14 Å²	14	35.3 Å²	35.3	9%	0.086	16%	0.158	C	C	.	.	H	α-helix	trans	-70.5	-35.2	177.1	-63.5	0	0	0	0	113	I215 R221 G222 L311	I215-T219 WeakPolarHBondContact O-CB 3.49Å; I215-T219 PolarHBondContact O-N 3.44Å; I215-T219 PolarHBondContact O-OG1 3.12Å; T219-R221 VanDerWaalsContact C-N 3.31Å; T219-R221 PolarHBondContact O-N 2.83Å; T219-G222 PolarHBondContact O-N 3.43Å; T219-L311 HydrophobicContact CG2-CB 3.77Å; T219-L311 HydrophobicContact CG2-CD2 3.89Å
220	N	81.7	Confident	86.6	Confident	26 Å²	26	33.9 Å²	33.9	14%	0.139	15%	0.15	C	C	.	.	G	3₁₀ helix	trans	36.6	53	171.2	179.7	44.6	0	0	0	115.4	K216 Y217 G222 N223 R225 C711	K216-N220 PolarHBondContact O-N 3.28Å; Y217-N220 WeakPolarHBondContact O-CB 3.45Å; N220-G222 PolarHBondContact O-N 3.15Å; N220-G222 VanDerWaalsContact O-N 3.11Å; N220-N223 WeakPolarHBondContact CB-O 3.48Å; N220-N223 PolarHBondContact ND2-O 3.39Å; N220-N223 PolarHBondContact O-N 3.09Å; N220-R225 HydrophobicContact CB-CG 4.1Å; N220-R225 VanDerWaalsContact CG-NE 3.28Å; N220-R225 PolarHBondContact ND2-NE 2.92Å; N220-C711 PolarHBondContact OD1-SG 3.02Å; N220-C711 VanDerWaalsContact OD1-SG 3.35Å
221	R	77.7	Confident	87.1	Confident	217 Å²	217	31.5 Å²	31.5	82%	0.819	14%	0.14	S	C	*	.	G	3₁₀ helix	trans	52.9	30.4	-179.4	-52.3	-177.3	-177	-175.8	1.8	114.6	T219 E714	T219-R221 VanDerWaalsContact C-N 3.31Å; T219-R221 PolarHBondContact O-N 2.83Å; R221-E714 IonicContact NH2-OE1 3.64Å
222	G	78.7	Confident	87.2	Confident	0 Å²	0	32.3 Å²	32.3	0%	0	15%	0.145	C	C	.	.	G	3₁₀ helix	trans	102.8	-26.3	-178.6	0	0	0	0	0	114.4	T219 N220 L224 V415 T416	T219-G222 PolarHBondContact O-N 3.43Å; N220-G222 PolarHBondContact O-N 3.15Å; N220-G222 VanDerWaalsContact O-N 3.11Å; G222-L224 PolarHBondContact O-N 3.36Å; G222-V415 CarbonylContact O-C 3.48Å; G222-V415 VanDerWaalsContact O-CA 3.31Å; G222-V415 WeakPolarHBondContact O-CA 3.34Å; G222-T416 PolarHBondContact O-N 3.3Å; G222-T416 PolarHBondContact O-OG1 3Å
223	N	80.1	Confident	87.6	Confident	104 Å²	104	32.4 Å²	32.4	56%	0.556	15%	0.145	S	C	*	.	S	Bend	trans	-83.2	78.9	179.3	-178.8	11.1	0	0	0	110.6	N220 T416	N220-N223 WeakPolarHBondContact CB-O 3.48Å; N220-N223 PolarHBondContact ND2-O 3.39Å; N220-N223 PolarHBondContact O-N 3.09Å; N223-T416 WeakPolarHBondContact CA-OG1 3.35Å
224	L	84.1	Confident	88.1	Confident	11 Å²	11	32.8 Å²	32.8	6%	0.058	14%	0.144	C	C	.	.			trans	-61.9	140.4	-163.2	-56.6	-179.7	0	0	0	113.3	A218 G222 A332 L333 W356 V415 T416	A218-L224 CarbonylContact O-C 3.58Å; A218-L224 VanDerWaalsContact O-CA 3.27Å; A218-L224 WeakPolarHBondContact O-CA 3.37Å; G222-L224 PolarHBondContact O-N 3.36Å; L224-A332 VanDerWaalsContact CD1-O 3.29Å; L224-A332 WeakPolarHBondContact CD1-O 3.34Å; L224-A332 HydrophobicContact CD2-CB 4.43Å; L224-L333 HydrophobicContact CD2-CD1 4.21Å; L224-W356 HydrophobicContact CB-CB 4.24Å; L224-W356 HydrophobicContact CD1-CB 3.69Å; L224-V415 HydrophobicContact CD1-CG1 4.34Å; L224-V415 HydrophobicContact CG-CG1 4.45Å; L224-T416 WeakPolarHBondContact CD1-O 3.45Å; L224-T416 PolarHBondContact N-OG1 3.06Å
225	R	83.5	Confident	87.8	Confident	54 Å²	54	34.8 Å²	34.8	20%	0.204	16%	0.157	C	C	.	.			trans	-119.3	132	-179	-59.6	179.3	177.9	-165.3	-6	110.8	Y217 A218 N220 A227 T709 C711	Y217-R225 HydrophobicContact CD1-CB 4.4Å; Y217-R225 HydrophobicContact CE1-CB 3.9Å; A218-R225 WeakPolarHBondContact CB-O 3.38Å; A218-R225 PolarHBondContact O-N 3.09Å; N220-R225 HydrophobicContact CB-CG 4.1Å; N220-R225 VanDerWaalsContact CG-NE 3.28Å; N220-R225 PolarHBondContact ND2-NE 2.92Å; R225-A227 PolarHBondContact O-N 3.14Å; R225-T709 PolarHBondContact NH1-O 3.25Å; R225-T709 PolarHBondContact NH2-O 2.99Å; R225-C711 PolarHBondContact NH2-SG 3.37Å
226	S	90.2	Very high	87.2	Confident	12 Å²	12	38.1 Å²	38.1	8%	0.084	18%	0.179	C	C	.	.			trans	-67.5	121.9	173.4	-65.8	0	0	0	0	111.6	W178 Q194 S354 W356	W178-S226 VanDerWaalsContact CH2-OG 3.32Å; W178-S226 WeakPolarHBondContact CH2-OG 3.41Å; Q194-S226 PolarHBondContact N-O 3.48Å; S226-S354 VanDerWaalsContact CA-O 3.31Å; S226-S354 WeakPolarHBondContact CA-O 3.44Å; S226-W356 WeakPolarHBondContact OG-CZ3 3.48Å
227	A	92.8	Very high	86.9	Confident	0 Å²	0	37.3 Å²	37.3	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	153.7	179.2	0	0	0	0	0	111.8	Q194 F196 H214 Y217 A218 R225 F353 S354	Q194-A227 HydrophobicContact CB-CB 4.45Å; Q194-A227 CarbonylContact O-C 3.57Å; Q194-A227 VanDerWaalsContact O-CA 3.31Å; Q194-A227 WeakPolarHBondContact O-CA 3.21Å; F196-A227 HydrophobicContact CE2-CB 4.04Å; H214-A227 PolarHBondContact CE1-O 2.93Å; H214-A227 VanDerWaalsContact CE1-O 3.3Å; Y217-A227 HydrophobicContact CD1-CB 3.99Å; Y217-A227 HydrophobicContact CE1-CB 4.21Å; A218-A227 HydrophobicContact CB-CB 4.27Å; R225-A227 PolarHBondContact O-N 3.14Å; A227-F353 CarbonylContact O-C 3.5Å; A227-F353 WeakPolarHBondContact O-CA 3.46Å; A227-S354 PolarHBondContact N-O 3.43Å; A227-S354 PolarHBondContact O-N 3.25Å; A227-S354 PolarHBondContact O-OG 2.68Å
228	I	97.3	Very high	86.8	Confident	0 Å²	0	39.5 Å²	39.5	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	139.7	164.9	-171.1	170.9	0	0	0	109.4	A174 L193 Q194 V195 F196 V230 L341 A351 P352 F353 F473	A174-I228 HydrophobicContact CB-CG2 4.19Å; L193-I228 HydrophobicContact CD1-CB 4.32Å; L193-I228 HydrophobicContact CD1-CG2 4.22Å; L193-I228 HydrophobicContact CD2-CB 4.39Å; L193-I228 HydrophobicContact CD2-CG2 3.77Å; L193-I228 HydrophobicContact CG-CG2 3.97Å; Q194-I228 PolarHBondContact O-N 3.18Å; V195-I228 CarbonylContact C-O 3.58Å; V195-I228 WeakPolarHBondContact CA-O 3.39Å; V195-I228 HydrophobicContact CB-CG2 4.12Å; V195-I228 HydrophobicContact CG1-CG2 4.11Å; V195-I228 HydrophobicContact CG2-CG2 3.76Å; F196-I228 PolarHBondContact N-O 3.28Å; I228-V230 HydrophobicContact CD1-CG2 4.2Å; I228-V230 HydrophobicContact CG1-CG2 4.13Å; I228-L341 HydrophobicContact CD1-CD2 3.98Å; I228-A351 HydrophobicContact CD1-CB 4.24Å; I228-P352 VanDerWaalsContact CA-O 3.31Å; I228-P352 WeakPolarHBondContact CA-O 3.37Å; I228-P352 WeakPolarHBondContact CG1-O 3.44Å; I228-F353 HydrophobicContact CB-CB 4.5Å; I228-F353 HydrophobicContact CB-CD2 4.35Å; I228-F353 HydrophobicContact CD1-CB 4.34Å; I228-F353 HydrophobicContact CG1-CB 4.24Å; I228-F473 HydrophobicContact CD1-CE1 3.78Å; I228-F473 HydrophobicContact CD1-CZ 3.74Å
229	T	97.5	Very high	86.8	Confident	1 Å²	1	40.6 Å²	40.6	1%	0.006	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	126	168.9	-54.2	0	0	0	0	108.1	F196 A198 H214 F231 A351 P352	F196-T229 HydrophobicContact CB-CG2 4.08Å; F196-T229 WeakPolarHBondContact O-CA 3.25Å; A198-T229 HydrophobicContact CB-CG2 3.77Å; H214-T229 PolarHBondContact ND1-OG1 2.64Å; T229-F231 HydrophobicContact CG2-CE1 4.37Å; T229-F231 HydrophobicContact CG2-CE2 4.1Å; T229-F231 HydrophobicContact CG2-CZ 3.95Å; T229-A351 CarbonylContact O-C 3.59Å; T229-A351 VanDerWaalsContact O-CA 3.28Å; T229-A351 WeakPolarHBondContact O-CA 3.29Å; T229-P352 PolarHBondContact N-O 3.35Å; T229-P352 WeakPolarHBondContact O-CD 3.47Å
230	V	97.8	Very high	87.1	Confident	0 Å²	0	41.4 Å²	41.4	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	110.9	-176.6	-171.4	0	0	0	0	109.6	L170 V195 F196 A198 R199 I228 L341 F348	L170-V230 HydrophobicContact CD1-CB 4.47Å; L170-V230 HydrophobicContact CD1-CG1 4.15Å; L170-V230 HydrophobicContact CD2-CB 4.44Å; V195-V230 HydrophobicContact CG1-CG2 4.45Å; F196-V230 PolarHBondContact O-N 2.68Å; A198-V230 CarbonylContact C-O 3.57Å; A198-V230 VanDerWaalsContact C-O 3.29Å; A198-V230 WeakPolarHBondContact CA-O 3.35Å; A198-V230 WeakPolarHBondContact CB-O 3.21Å; A198-V230 PolarHBondContact N-O 3.47Å; R199-V230 PolarHBondContact N-O 2.95Å; I228-V230 HydrophobicContact CD1-CG2 4.2Å; I228-V230 HydrophobicContact CG1-CG2 4.13Å; V230-L341 HydrophobicContact CG1-CD2 4.13Å; V230-L341 HydrophobicContact CG2-CD2 3.78Å; V230-F348 HydrophobicContact CG1-CB 3.91Å; V230-F348 HydrophobicContact CG1-CD1 3.44Å; V230-F348 VanDerWaalsContact CG1-CD1 3.44Å; V230-F348 HydrophobicContact CG1-CE1 4.11Å; V230-F348 HydrophobicContact CG1-CG 3.73Å
231	F	96.9	Very high	87.6	Confident	0 Å²	0	40.3 Å²	40.3	0%	0	22%	0.22	C	C	.	.	P	Polyproline II helix	trans	-80.6	173.5	175.7	-68.6	-70.4	0	0	0	111.3	A198 C201 M207 Y210 I211 T229 F241 I243 A350 P352	A198-F231 HydrophobicContact CB-CD1 3.78Å; A198-F231 HydrophobicContact CB-CE1 3.85Å; C201-F231 HydrophobicContact CB-CD1 4.04Å; C201-F231 HydrophobicContact CB-CE1 4.46Å; M207-F231 HydrophobicContact CB-CE1 4.19Å; M207-F231 HydrophobicContact CB-CZ 4.43Å; M207-F231 HydrophobicContact CE-CD2 3.7Å; M207-F231 HydrophobicContact CE-CE2 3.97Å; M207-F231 HydrophobicContact CE-CG 4.01Å; M207-F231 HydrophobicContact CG-CD1 4.03Å; M207-F231 HydrophobicContact CG-CD2 4.34Å; M207-F231 HydrophobicContact CG-CE1 3.63Å; M207-F231 HydrophobicContact CG-CE2 3.95Å; M207-F231 HydrophobicContact CG-CG 4.37Å; M207-F231 HydrophobicContact CG-CZ 3.58Å; Y210-F231 AromaticContact CD2-CE1 3.88Å; Y210-F231 HydrophobicContact CD2-CE1 3.88Å; Y210-F231 AromaticContact CG-CE1 3.99Å; Y210-F231 HydrophobicContact CG-CE1 3.99Å; Y210-F231 HydrophobicContact CG-CZ 4.46Å; I211-F231 HydrophobicContact CD1-CE2 4.5Å; I211-F231 HydrophobicContact CG1-CE2 4.21Å; I211-F231 HydrophobicContact CG1-CZ 4.12Å; T229-F231 HydrophobicContact CG2-CE1 4.37Å; T229-F231 HydrophobicContact CG2-CE2 4.1Å; T229-F231 HydrophobicContact CG2-CZ 3.95Å; F231-F241 HydrophobicContact CB-CB 4.4Å; F231-I243 HydrophobicContact CE2-CD1 4.49Å; F231-A350 HydrophobicContact CB-CB 4.12Å; F231-A350 WeakPolarHBondContact CB-O 3.33Å; F231-A350 HydrophobicContact CD2-CB 3.89Å; F231-A350 WeakPolarHBondContact CD2-O 3.49Å; F231-A350 HydrophobicContact CG-CB 4.38Å; F231-A350 PolarHBondContact N-O 3.06Å; F231-A350 VanDerWaalsContact N-O 3.14Å; F231-P352 HydrophobicContact CD2-CG 4.48Å; F231-P352 HydrophobicContact CE2-CG 3.95Å
232	P	95.1	Very high	88.4	Confident	16 Å²	16	31.2 Å²	31.2	10%	0.104	19%	0.185	C	C	.	.	P	Polyproline II helix	trans	-56.2	145.5	-173.8	-26.2	35.1	0	0	0	114.1	A198 C201 F241	A198-P232 WeakPolarHBondContact O-CD 3.34Å; C201-P232 HydrophobicContact CB-CG 4.4Å; C201-P232 WeakPolarHBondContact O-CG 3.43Å; P232-F241 HydrophobicContact CB-CD2 3.93Å; P232-F241 HydrophobicContact CB-CE2 3.97Å; P232-F241 HydrophobicContact CG-CD2 3.73Å; P232-F241 HydrophobicContact CG-CE2 3.5Å; P232-F241 VanDerWaalsContact CG-CE2 3.5Å; P232-F241 HydrophobicContact CG-CZ 4.25Å
233	Q	93	Very high	89.1	Confident	13 Å²	13	31.3 Å²	31.3	6%	0.061	19%	0.186	C	C	.	.	P	Polyproline II helix	trans	-67.1	154.6	177.2	72.7	-158.7	52.6	0	0	112.4	T162 Y163 Q164 C235 E347 F348	T162-Q233 PolarHBondContact OG1-NE2 3.23Å; Y163-Q233 PolarHBondContact O-NE2 3.36Å; Q164-Q233 VanDerWaalsContact NE2-CD 3.29Å; Q233-C235 PolarHBondContact O-N 2.87Å; Q233-C235 PolarHBondContact O-SG 3.44Å; Q233-E347 CarbonylContact C-O 3.55Å; Q233-E347 VanDerWaalsContact CA-O 3.28Å; Q233-E347 WeakPolarHBondContact CA-O 3.15Å; Q233-E347 WeakPolarHBondContact CB-O 3.23Å; Q233-F348 HydrophobicContact CB-CD1 3.81Å; Q233-F348 HydrophobicContact CB-CE1 3.59Å; Q233-F348 HydrophobicContact CB-CZ 4.1Å
234	R	89.8	Confident	89.8	Confident	36 Å²	36	27.7 Å²	27.7	14%	0.136	16%	0.164	C	C	.	.	P	Polyproline II helix	trans	-59	130.8	169.3	177.4	173.5	-70.8	149.8	-1.3	109.9	D240 E347 P349	R234-D240 IonicContact CZ-OD1 2.96Å; R234-D240 IonicContact CZ-OD2 2.75Å; R234-D240 IonicContact NE-OD1 3.34Å; R234-D240 PolarHBondContact NE-OD1 3.47Å; R234-D240 IonicContact NE-OD2 3.79Å; R234-D240 IonicContact NH2-OD1 3.53Å; R234-D240 PolarHBondContact NH2-OD1 3.02Å; R234-D240 IonicContact NH2-OD2 2.76Å; R234-D240 PolarHBondContact NH2-OD2 2.83Å; R234-E347 HydrophobicContact CB-CB 4.23Å; R234-E347 IonicContact CZ-OE2 3.33Å; R234-E347 PolarHBondContact N-O 3.24Å; R234-E347 IonicContact NE-OE2 2.84Å; R234-E347 VanDerWaalsContact NH1-CD 3.28Å; R234-E347 IonicContact NH1-OE1 3.75Å; R234-E347 PolarHBondContact NH1-OE1 2.91Å; R234-E347 IonicContact NH1-OE2 3.85Å; R234-E347 PolarHBondContact NH1-OE2 3.41Å; R234-P349 HydrophobicContact CB-CG 4.07Å
235	C	84.4	Confident	90.3	Very high	42 Å²	42	27.3 Å²	27.3	28%	0.284	16%	0.163	S	C	.	.			trans	-116.7	150.7	178.7	-65.9	0	0	0	0	110.6	Q233 G237 R238	Q233-C235 PolarHBondContact O-N 2.87Å; Q233-C235 PolarHBondContact O-SG 3.44Å; C235-G237 PolarHBondContact O-N 2.86Å; C235-R238 HydrophobicContact CB-CB 4.31Å
236	P	77.3	Confident	90.7	Very high	71 Å²	71	26.1 Å²	26.1	46%	0.461	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.9	135.3	172.3	-12.7	22.8	0	0	0	111.2	P117 R238	P117-P236 HydrophobicContact CG-CB 4.3Å; P117-P236 HydrophobicContact CG-CG 3.82Å; P236-R238 VanDerWaalsContact C-N 3.25Å; P236-R238 PolarHBondContact O-N 2.9Å
237	G	75.8	Confident	90.9	Very high	95 Å²	95	26.9 Å²	26.9	98%	0.979	17%	0.165	S	C	*	.	T	Hydrogen-bonded Turn	trans	70.4	10.3	172.4	0	0	0	0	0	116.5	C235	C235-G237 PolarHBondContact O-N 2.86Å
238	R	80.6	Confident	91.1	Very high	117 Å²	117	27 Å²	27	44%	0.442	17%	0.165	S	C	.	.	S	Bend	trans	-127.7	150.2	178.2	-162	-168	176.8	-160.5	-4.7	110.2	C235 P236 P296 D297	C235-R238 HydrophobicContact CB-CB 4.31Å; P236-R238 VanDerWaalsContact C-N 3.25Å; P236-R238 PolarHBondContact O-N 2.9Å; R238-P296 HydrophobicContact CG-CB 3.95Å; R238-P296 VanDerWaalsContact NE-CB 3.33Å; R238-D297 WeakPolarHBondContact CG-OD2 3.4Å
239	G	84.6	Confident	91	Very high	23 Å²	23	27.1 Å²	27.1	24%	0.237	17%	0.166	C	C	.	.	P	Polyproline II helix	trans	-63.6	166.9	173.2	0	0	0	0	0	114.5	P296 D297	G239-P296 VanDerWaalsContact O-CB 3.25Å; G239-P296 WeakPolarHBondContact O-CB 3.11Å; G239-P296 WeakPolarHBondContact O-CG 3.33Å; G239-D297 VanDerWaalsContact N-CG 3.31Å; G239-D297 PolarHBondContact N-OD1 2.8Å; G239-D297 PolarHBondContact N-OD2 2.94Å
240	D	90	Very high	90.9	Very high	32 Å²	32	28.5 Å²	28.5	17%	0.171	17%	0.171	C	C	.	.	P	Polyproline II helix	trans	-87.3	150.2	174.1	-68.7	-25.8	0	0	0	111.7	R234 R242 P349	R234-D240 IonicContact CZ-OD1 2.96Å; R234-D240 IonicContact CZ-OD2 2.75Å; R234-D240 IonicContact NE-OD1 3.34Å; R234-D240 PolarHBondContact NE-OD1 3.47Å; R234-D240 IonicContact NE-OD2 3.79Å; R234-D240 IonicContact NH2-OD1 3.53Å; R234-D240 PolarHBondContact NH2-OD1 3.02Å; R234-D240 IonicContact NH2-OD2 2.76Å; R234-D240 PolarHBondContact NH2-OD2 2.83Å; D240-R242 HydrophobicContact CB-CG 3.75Å; D240-R242 IonicContact OD2-NH1 3.03Å; D240-P349 HydrophobicContact CB-CB 4.04Å; D240-P349 HydrophobicContact CB-CG 4.05Å; D240-P349 WeakPolarHBondContact OD1-CG 3.46Å
241	F	93.3	Very high	90.8	Very high	3 Å²	3	28.6 Å²	28.6	1%	0.013	17%	0.171	C	C	.	.	P	Polyproline II helix	trans	-72.1	126.8	152	-81.2	-88.7	0	0	0	109.1	C201 M207 F231 P232 Q294 A295 P296 A350	C201-F241 WeakPolarHBondContact O-CZ 3.37Å; M207-F241 HydrophobicContact CE-CB 4.06Å; M207-F241 HydrophobicContact CE-CD1 4.38Å; M207-F241 HydrophobicContact SD-CD1 4.09Å; F231-F241 HydrophobicContact CB-CB 4.4Å; P232-F241 HydrophobicContact CB-CD2 3.93Å; P232-F241 HydrophobicContact CB-CE2 3.97Å; P232-F241 HydrophobicContact CG-CD2 3.73Å; P232-F241 HydrophobicContact CG-CE2 3.5Å; P232-F241 VanDerWaalsContact CG-CE2 3.5Å; P232-F241 HydrophobicContact CG-CZ 4.25Å; F241-Q294 WeakPolarHBondContact CA-O 3.34Å; F241-A295 HydrophobicContact CD1-CB 4.3Å; F241-A295 HydrophobicContact CE1-CB 3.85Å; F241-A295 HydrophobicContact CZ-CB 4.39Å; F241-P296 VanDerWaalsContact CD2-CD 3.41Å; F241-P296 HydrophobicContact CD2-CG 3.49Å; F241-P296 VanDerWaalsContact CD2-CG 3.49Å; F241-P296 HydrophobicContact CE2-CG 3.45Å; F241-P296 VanDerWaalsContact CE2-CG 3.45Å; F241-P296 HydrophobicContact CG-CG 4.18Å; F241-P296 VanDerWaalsContact CZ-CD 3.43Å; F241-P296 HydrophobicContact CZ-CG 4.13Å; F241-A350 HydrophobicContact CB-CB 4.35Å; F241-A350 WeakPolarHBondContact O-CB 3.35Å
242	R	93.6	Very high	90.8	Very high	26 Å²	26	28.6 Å²	28.6	10%	0.098	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	133.8	-179.9	-61.6	-62.4	-64.4	-93.4	-2.1	112.5	D240 Q294 Q476 P477 P479	D240-R242 HydrophobicContact CB-CG 3.75Å; D240-R242 IonicContact OD2-NH1 3.03Å; R242-Q294 HydrophobicContact CB-CB 4.32Å; R242-Q294 PolarHBondContact N-O 2.84Å; R242-Q294 PolarHBondContact O-N 2.88Å; R242-Q476 VanDerWaalsContact NH2-CD 3.34Å; R242-P477 PolarHBondContact NH2-O 2.8Å; R242-P479 HydrophobicContact CB-CG 4.24Å
243	I	94.8	Very high	90.9	Very high	2 Å²	2	27.9 Å²	27.9	1%	0.01	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	123.1	160.2	-51.9	175.8	0	0	0	106.3	M207 I211 F231 N245 L248 L293 A350 P352	M207-I243 HydrophobicContact CE-CD1 4.25Å; M207-I243 HydrophobicContact CE-CG1 3.55Å; M207-I243 HydrophobicContact SD-CG1 4.46Å; I211-I243 HydrophobicContact CD1-CD1 3.7Å; I211-I243 HydrophobicContact CD1-CG1 4.1Å; I211-I243 HydrophobicContact CG1-CD1 4.33Å; F231-I243 HydrophobicContact CE2-CD1 4.49Å; I243-N245 HydrophobicContact CG2-CB 4.32Å; I243-L248 HydrophobicContact CD1-CD2 3.93Å; I243-L293 HydrophobicContact CB-CD2 4.2Å; I243-L293 HydrophobicContact CG1-CD2 3.92Å; I243-L293 HydrophobicContact CG2-CD2 3.89Å; I243-A350 HydrophobicContact CG1-CB 4.26Å; I243-P352 HydrophobicContact CD1-CB 4.02Å; I243-P352 HydrophobicContact CD1-CG 3.72Å
244	W	93.8	Very high	90.9	Very high	27 Å²	27	28 Å²	28	10%	0.102	17%	0.167	C	C	.	.			trans	-80.8	-31.5	-178.4	-73.5	38.4	0	0	0	111.6	I270 L273 L292 P300 P479 W480	W244-I270 HydrophobicContact CB-CD1 4.01Å; W244-L273 HydrophobicContact CE3-CD1 4.24Å; W244-L273 HydrophobicContact CZ3-CD1 4.14Å; W244-L292 HydrophobicContact CB-CB 3.79Å; W244-L292 WeakPolarHBondContact CB-O 3.35Å; W244-L292 HydrophobicContact CD2-CB 4.41Å; W244-L292 HydrophobicContact CE3-CD1 4.26Å; W244-L292 HydrophobicContact CG-CB 4.08Å; W244-L292 PolarHBondContact N-O 3.28Å; W244-P300 HydrophobicContact CD2-CB 4.29Å; W244-P300 HydrophobicContact CH2-CB 4.48Å; W244-P300 HydrophobicContact CH2-CG 3.75Å; W244-P300 HydrophobicContact CZ2-CB 3.94Å; W244-P300 HydrophobicContact CZ2-CG 3.56Å; W244-P300 HydrophobicContact CZ3-CG 4.28Å; W244-P479 HydrophobicContact CD2-CB 3.89Å; W244-P479 HydrophobicContact CD2-CG 4.23Å; W244-P479 VanDerWaalsContact CE2-CB 3.48Å; W244-P479 HydrophobicContact CG-CB 4.1Å; W244-P479 HydrophobicContact CG-CG 3.91Å; W244-P479 HydrophobicContact CZ2-CB 3.84Å; W244-W480 HydrophobicContact CB-CZ3 4.09Å; W244-W480 HydrophobicContact CD2-CE3 4.16Å; W244-W480 AromaticContact CE3-CE3 3.65Å; W244-W480 HydrophobicContact CE3-CE3 3.65Å; W244-W480 HydrophobicContact CE3-CZ3 4.32Å; W244-W480 HydrophobicContact CH2-CB 4.2Å; W244-W480 HydrophobicContact CZ3-CB 3.86Å; W244-W480 HydrophobicContact CZ3-CE3 4.17Å; W244-W480 WeakPolarHBondContact O-CZ3 3.43Å
245	N	93.8	Very high	91.1	Very high	4 Å²	4	33.4 Å²	33.4	2%	0.021	19%	0.187	C	C	.	.	S	Bend	trans	-67.1	140.8	177	-55.2	59.7	0	0	0	111.6	I243 Q247 P290 L291 L292 S337	I243-N245 HydrophobicContact CG2-CB 4.32Å; N245-Q247 VanDerWaalsContact C-N 3.34Å; N245-Q247 WeakPolarHBondContact CB-O 3.37Å; N245-Q247 PolarHBondContact O-N 2.73Å; N245-P290 PolarHBondContact ND2-O 2.76Å; N245-L291 HydrophobicContact CB-CD2 4.02Å; N245-L291 WeakPolarHBondContact OD1-CA 3.35Å; N245-L292 PolarHBondContact OD1-N 3.11Å; N245-S337 PolarHBondContact O-OG 2.94Å
246	S	92.6	Very high	91.5	Very high	29 Å²	29	34.5 Å²	34.5	20%	0.203	19%	0.188	C	C	.	.	S	Bend	trans	-70.2	-29.4	178.9	63.2	0	0	0	0	113.8	R250 S337 N338	S246-R250 PolarHBondContact OG-NE 3.01Å; S246-R250 PolarHBondContact OG-NH2 3.2Å; S246-S337 PolarHBondContact O-N 3.42Å; S246-S337 PolarHBondContact O-OG 3.27Å; S246-N338 PolarHBondContact O-OD1 3.28Å
247	Q	95	Very high	92.1	Very high	27 Å²	27	41.1 Å²	41.1	13%	0.126	21%	0.213	C	C	.	.	B	Isolated β-bridge	trans	-135.2	156.5	167.8	-60.8	-171.9	11.6	0	0	109.1	N245 V249 R250 Y331 A335 V336 S337	N245-Q247 VanDerWaalsContact C-N 3.34Å; N245-Q247 WeakPolarHBondContact CB-O 3.37Å; N245-Q247 PolarHBondContact O-N 2.73Å; Q247-V249 PolarHBondContact O-N 2.78Å; Q247-R250 HydrophobicContact CB-CG 4.08Å; Q247-Y331 PolarHBondContact OE1-OH 3.38Å; Q247-A335 CarbonylContact C-O 3.55Å; Q247-A335 WeakPolarHBondContact CA-O 3.32Å; Q247-A335 VanDerWaalsContact CB-O 3.25Å; Q247-A335 WeakPolarHBondContact CB-O 3.42Å; Q247-V336 HydrophobicContact CG-CG2 4.4Å; Q247-S337 WeakPolarHBondContact CA-OG 3.27Å; Q247-S337 PolarHBondContact N-OG 3.05Å
248	L	96	Very high	92.8	Very high	2 Å²	2	42.7 Å²	42.7	1%	0.01	20%	0.199	C	C	.	.	S	Bend	trans	-62.2	-31.6	178.6	-60	-178.5	0	0	0	112.5	I211 I215 I243 L291 L305 A335 S337 P352	I211-L248 HydrophobicContact CD1-CD2 4.22Å; I211-L248 HydrophobicContact CG1-CD2 4.11Å; I211-L248 HydrophobicContact CG2-CD1 4.13Å; I211-L248 HydrophobicContact CG2-CD2 3.86Å; I211-L248 HydrophobicContact CG2-CG 4.47Å; I215-L248 HydrophobicContact CD1-CB 4.2Å; I215-L248 HydrophobicContact CD1-CD1 4.42Å; I215-L248 HydrophobicContact CG1-CB 4.37Å; I215-L248 HydrophobicContact CG1-CD1 3.95Å; I243-L248 HydrophobicContact CD1-CD2 3.93Å; L248-L291 WeakPolarHBondContact O-CD2 3.45Å; L248-L305 WeakPolarHBondContact O-CD1 3.35Å; L248-A335 HydrophobicContact CB-CB 3.96Å; L248-A335 HydrophobicContact CD1-CB 3.7Å; L248-A335 HydrophobicContact CG-CB 3.82Å; L248-A335 PolarHBondContact N-O 2.72Å; L248-S337 PolarHBondContact N-OG 3.43Å; L248-P352 HydrophobicContact CD1-CB 4.07Å; L248-P352 HydrophobicContact CD2-CB 3.96Å; L248-P352 HydrophobicContact CG-CB 4.16Å
249	V	96.1	Very high	93.1	Very high	3 Å²	3	39.5 Å²	39.5	2%	0.018	20%	0.203	C	C	.	.	S	Bend	trans	-120.3	130.1	174	-174	0	0	0	0	108.2	I215 Q247 V288 L305 V310 Y331	I215-V249 HydrophobicContact CD1-CG2 4.42Å; Q247-V249 PolarHBondContact O-N 2.78Å; V249-V288 HydrophobicContact CG1-CG1 4.36Å; V249-L305 HydrophobicContact CG2-CD1 4.28Å; V249-V310 HydrophobicContact CG1-CG1 3.82Å; V249-Y331 HydrophobicContact CB-CD2 3.68Å; V249-Y331 HydrophobicContact CB-CE2 4.03Å; V249-Y331 HydrophobicContact CB-CG 4.1Å; V249-Y331 HydrophobicContact CG1-CD1 3.97Å; V249-Y331 HydrophobicContact CG1-CD2 3.61Å; V249-Y331 HydrophobicContact CG1-CE2 4.24Å; V249-Y331 HydrophobicContact CG1-CG 3.46Å; V249-Y331 VanDerWaalsContact CG1-CG 3.46Å; V249-Y331 VanDerWaalsContact O-CE2 3.27Å; V249-Y331 WeakPolarHBondContact O-CE2 3.44Å; V249-Y331 VanDerWaalsContact O-CZ 3.27Å; V249-Y331 PolarHBondContact O-OH 3.19Å
250	R	94.8	Very high	93.4	Very high	31 Å²	31	41 Å²	41	12%	0.117	21%	0.21	C	C	.	.			trans	-152.2	156	178.6	-76.6	-56.8	-156.7	163	6.9	109.8	S246 Q247 V288 L289	S246-R250 PolarHBondContact OG-NE 3.01Å; S246-R250 PolarHBondContact OG-NH2 3.2Å; Q247-R250 HydrophobicContact CB-CG 4.08Å; R250-V288 WeakPolarHBondContact O-CA 3.19Å; R250-L289 HydrophobicContact CB-CD1 3.97Å; R250-L289 PolarHBondContact O-N 2.83Å
251	Y	96.8	Very high	93.6	Very high	1 Å²	1	41.7 Å²	41.7	0%	0.004	22%	0.215	C	C	.	.	B	Isolated β-bridge	trans	-92.9	146.5	168.5	-61.7	-55.4	0	0	0	111.8	N267 F286 D287 V288 E312 W330 Y331 Y373	Y251-N267 WeakPolarHBondContact O-CB 3.38Å; Y251-N267 PolarHBondContact O-ND2 3.12Å; Y251-F286 HydrophobicContact CD1-CB 3.92Å; Y251-F286 HydrophobicContact CD1-CD1 4.41Å; Y251-F286 VanDerWaalsContact CD1-O 3.22Å; Y251-F286 WeakPolarHBondContact CD1-O 3.3Å; Y251-F286 AromaticContact CD2-CD1 3.74Å; Y251-F286 HydrophobicContact CD2-CD1 3.74Å; Y251-F286 HydrophobicContact CD2-CE1 4.47Å; Y251-F286 HydrophobicContact CE1-CB 3.77Å; Y251-F286 HydrophobicContact CE1-CD1 4.33Å; Y251-F286 VanDerWaalsContact CE1-O 3.3Å; Y251-F286 WeakPolarHBondContact CE1-O 3.33Å; Y251-F286 AromaticContact CE2-CD1 3.63Å; Y251-F286 HydrophobicContact CE2-CD1 3.63Å; Y251-F286 HydrophobicContact CE2-CE1 4.34Å; Y251-F286 HydrophobicContact CG-CB 4.39Å; Y251-F286 HydrophobicContact CG-CD1 4.13Å; Y251-F286 AromaticContact CZ-CD1 3.94Å; Y251-D287 CarbonylContact C-O 3.6Å; Y251-D287 VanDerWaalsContact CA-O 3.28Å; Y251-D287 WeakPolarHBondContact CA-O 3.41Å; Y251-V288 HydrophobicContact CD1-CG2 4.41Å; Y251-V288 HydrophobicContact CE1-CG2 4.17Å; Y251-E312 WeakPolarHBondContact CE1-OE1 3.16Å; Y251-E312 VanDerWaalsContact CZ-OE1 3.28Å; Y251-E312 PolarHBondContact OH-OE1 3.29Å; Y251-W330 HydrophobicContact CD2-CE3 4.19Å; Y251-W330 HydrophobicContact CD2-CH2 4.31Å; Y251-W330 AromaticContact CD2-CZ3 3.94Å; Y251-W330 HydrophobicContact CD2-CZ3 3.94Å; Y251-W330 HydrophobicContact CE2-CD2 4.18Å; Y251-W330 AromaticContact CE2-CE3 3.79Å; Y251-W330 HydrophobicContact CE2-CE3 3.79Å; Y251-W330 HydrophobicContact CE2-CZ3 4.03Å; Y251-W330 WeakPolarHBondContact OH-CA 3.44Å; Y251-Y331 HydrophobicContact CD2-CD1 4.1Å; Y251-Y331 HydrophobicContact CD2-CE1 4.04Å; Y251-Y331 HydrophobicContact CE1-CD1 4.38Å; Y251-Y331 AromaticContact CE2-CD1 3.57Å; Y251-Y331 HydrophobicContact CE2-CD1 3.57Å; Y251-Y331 AromaticContact CE2-CE1 3.91Å; Y251-Y331 HydrophobicContact CE2-CE1 3.91Å; Y251-Y331 AromaticContact CZ-CD1 3.74Å; Y251-Y331 PolarHBondContact OH-N 3.45Å; Y251-Y373 WeakPolarHBondContact CB-OH 3.26Å; Y251-Y373 WeakPolarHBondContact CD2-OH 3.25Å
252	A	96.6	Very high	93.6	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	24%	0.236	C	C	.	.			trans	-68.5	158.2	178.2	0	0	0	0	0	112.6	Y254 G263 D264 T271 W279 D287 L289	A252-Y254 HydrophobicContact CB-CE1 3.99Å; A252-Y254 HydrophobicContact CB-CE2 3.91Å; A252-Y254 WeakPolarHBondContact CB-OH 3.49Å; A252-G263 CarbonylContact O-C 3.44Å; A252-G263 WeakPolarHBondContact O-CA 3.44Å; A252-D264 PolarHBondContact O-N 3.2Å; A252-T271 HydrophobicContact CB-CG2 3.96Å; A252-W279 HydrophobicContact CB-CH2 3.85Å; A252-W279 HydrophobicContact CB-CZ3 4.21Å; A252-D287 HydrophobicContact CB-CB 4.14Å; A252-D287 PolarHBondContact N-O 3.29Å; A252-L289 HydrophobicContact CB-CD2 3.67Å; A252-L289 HydrophobicContact CB-CG 4Å
253	G	95.6	Very high	93.6	Very high	1 Å²	1	46.3 Å²	46.3	1%	0.01	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	112.3	174.4	0	0	0	0	0	110.8	D264 T271	G253-D264 WeakPolarHBondContact CA-O 3.44Å; G253-T271 PolarHBondContact N-OG1 3.42Å; G253-T271 WeakPolarHBondContact O-CB 3.31Å; G253-T271 WeakPolarHBondContact O-CG2 3.44Å
254	Y	94.9	Very high	93.6	Very high	17 Å²	17	46.2 Å²	46.2	7%	0.067	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	111.4	-176.5	-53.2	-65.2	0	0	0	111	A252 Q256 V261 R262 T271 W279 P281 G284 D287	A252-Y254 HydrophobicContact CB-CE1 3.99Å; A252-Y254 HydrophobicContact CB-CE2 3.91Å; A252-Y254 WeakPolarHBondContact CB-OH 3.49Å; Y254-Q256 PolarHBondContact O-N 3.09Å; Y254-Q256 PolarHBondContact O-NE2 3.49Å; Y254-V261 WeakPolarHBondContact O-CA 3.17Å; Y254-R262 WeakPolarHBondContact CD2-O 3.27Å; Y254-R262 PolarHBondContact N-O 3.03Å; Y254-R262 PolarHBondContact O-N 3.24Å; Y254-T271 HydrophobicContact CD1-CG2 3.73Å; Y254-T271 HydrophobicContact CE1-CG2 3.59Å; Y254-W279 HydrophobicContact CE1-CH2 4.41Å; Y254-W279 HydrophobicContact CE1-CZ3 4.1Å; Y254-W279 WeakPolarHBondContact OH-CH2 3.33Å; Y254-P281 HydrophobicContact CE1-CB 3.46Å; Y254-P281 VanDerWaalsContact CE1-CB 3.46Å; Y254-P281 HydrophobicContact CE1-CG 4.13Å; Y254-P281 WeakPolarHBondContact OH-CB 3.27Å; Y254-G284 WeakPolarHBondContact CE2-O 3.47Å; Y254-D287 HydrophobicContact CE2-CB 4.4Å; Y254-D287 WeakPolarHBondContact CE2-OD2 3.45Å; Y254-D287 WeakPolarHBondContact OH-CB 3.44Å; Y254-D287 PolarHBondContact OH-OD2 3.1Å
255	R	93.5	Very high	93.6	Very high	148 Å²	148	47 Å²	47	56%	0.558	24%	0.243	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-64.1	126.3	171.4	-171.6	-174.3	-55	-81	0.5	110.4	V268 E272	R255-V268 HydrophobicContact CB-CG1 4.34Å; R255-E272 IonicContact CZ-OE1 2.79Å; R255-E272 IonicContact NE-OE1 2.66Å; R255-E272 PolarHBondContact NE-OE1 2.65Å; R255-E272 VanDerWaalsContact NE-OE1 3.17Å; R255-E272 IonicContact NH2-OE1 2.76Å
256	Q	92.1	Very high	93.6	Very high	66 Å²	66	49.7 Å²	49.7	31%	0.308	27%	0.265	S	S	.	.			trans	-93.4	168.9	178	-55.1	-54.4	-64.5	0	0	111.1	Y254 D258 G259 S260 R262	Y254-Q256 PolarHBondContact O-N 3.09Å; Y254-Q256 PolarHBondContact O-NE2 3.49Å; Q256-D258 VanDerWaalsContact C-N 3.29Å; Q256-D258 VanDerWaalsContact CB-OD1 3.28Å; Q256-D258 WeakPolarHBondContact CB-OD1 3.33Å; Q256-D258 PolarHBondContact O-N 2.9Å; Q256-G259 PolarHBondContact O-N 3.28Å; Q256-G259 VanDerWaalsContact O-N 3.15Å; Q256-S260 WeakPolarHBondContact CB-OG 3.35Å; Q256-S260 WeakPolarHBondContact CG-OG 3.44Å; Q256-S260 PolarHBondContact N-O 2.82Å; Q256-R262 HydrophobicContact CG-CB 4.42Å
257	Q	89.3	Confident	93.6	Very high	209 Å²	209	48.4 Å²	48.4	98%	0.977	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.5	-25.6	-176.2	-65.5	-176.8	-1.4	0	0	113.8	G259	Q257-G259 VanDerWaalsContact C-N 3.27Å
258	D	91.1	Very high	93.6	Very high	128 Å²	128	47.6 Å²	47.6	68%	0.684	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.2	-1.7	175.1	63.1	-3.6	0	0	0	113.3	Q256 S260	Q256-D258 VanDerWaalsContact C-N 3.29Å; Q256-D258 VanDerWaalsContact CB-OD1 3.28Å; Q256-D258 WeakPolarHBondContact CB-OD1 3.33Å; Q256-D258 PolarHBondContact O-N 2.9Å; D258-S260 VanDerWaalsContact OD1-CB 3.23Å; D258-S260 WeakPolarHBondContact OD1-CB 3.42Å; D258-S260 PolarHBondContact OD1-N 2.89Å; D258-S260 PolarHBondContact OD1-OG 2.96Å; D258-S260 PolarHBondContact OD2-OG 2.85Å
259	G	87.8	Confident	93.5	Very high	51 Å²	51	52 Å²	52	53%	0.526	27%	0.273	S	S	.	.	S	Bend	trans	87.1	-4.1	-175.5	0	0	0	0	0	114.9	Q256 Q257	Q256-G259 PolarHBondContact O-N 3.28Å; Q256-G259 VanDerWaalsContact O-N 3.15Å; Q257-G259 VanDerWaalsContact C-N 3.27Å
260	S	90.3	Very high	93.4	Very high	54 Å²	54	52.4 Å²	52.4	38%	0.378	28%	0.275	S	S	.	.			trans	-68.9	171.4	170.9	73.7	0	0	0	0	111.6	Q256 D258	Q256-S260 WeakPolarHBondContact CB-OG 3.35Å; Q256-S260 WeakPolarHBondContact CG-OG 3.44Å; Q256-S260 PolarHBondContact N-O 2.82Å; D258-S260 VanDerWaalsContact OD1-CB 3.23Å; D258-S260 WeakPolarHBondContact OD1-CB 3.42Å; D258-S260 PolarHBondContact OD1-N 2.89Å; D258-S260 PolarHBondContact OD1-OG 2.96Å; D258-S260 PolarHBondContact OD2-OG 2.85Å
261	V	93.6	Very high	93.4	Very high	47 Å²	47	51 Å²	51	29%	0.285	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	129.4	176.5	-180	0	0	0	0	110.4	Y254 P265 V268	Y254-V261 WeakPolarHBondContact O-CA 3.17Å; V261-P265 HydrophobicContact CB-CG 4.19Å; V261-P265 HydrophobicContact CG1-CB 4.47Å; V261-P265 HydrophobicContact CG1-CG 4.23Å; V261-V268 HydrophobicContact CG1-CG2 3.67Å; V261-V268 HydrophobicContact CG2-CG2 4.01Å
262	R	93.3	Very high	93.2	Very high	120 Å²	120	54.4 Å²	54.4	45%	0.453	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	121.9	170.9	-170.6	-176.7	-167.4	-175.6	2.8	109.3	Y254 Q256 N283	Y254-R262 WeakPolarHBondContact CD2-O 3.27Å; Y254-R262 PolarHBondContact N-O 3.03Å; Y254-R262 PolarHBondContact O-N 3.24Å; Q256-R262 HydrophobicContact CG-CB 4.42Å; R262-N283 PolarHBondContact NE-O 3.16Å; R262-N283 PolarHBondContact NH1-O 3.12Å
263	G	94.2	Very high	92.9	Very high	6 Å²	6	55.5 Å²	55.5	6%	0.062	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	103.6	-140	-175.1	0	0	0	0	0	111.9	A252 P265 R285	A252-G263 CarbonylContact O-C 3.44Å; A252-G263 WeakPolarHBondContact O-CA 3.44Å; G263-P265 WeakPolarHBondContact O-CD 3.33Å; G263-R285 WeakPolarHBondContact CA-O 3.49Å
264	D	94.8	Very high	92.6	Very high	0 Å²	0	55.5 Å²	55.5	0%	0	29%	0.291	C	S	.	.			trans	-98.9	109.9	-179.3	-172	-5.8	0	0	0	112.2	A252 G253 A266 N267 R372 Y373	A252-D264 PolarHBondContact O-N 3.2Å; G253-D264 WeakPolarHBondContact CA-O 3.44Å; D264-A266 PolarHBondContact O-N 3.3Å; D264-A266 VanDerWaalsContact O-N 3.12Å; D264-A266 WeakPolarHBondContact OD1-CB 3.46Å; D264-A266 PolarHBondContact OD1-N 3.15Å; D264-N267 WeakPolarHBondContact CB-ND2 3.47Å; D264-N267 VanDerWaalsContact CG-ND2 3.29Å; D264-N267 PolarHBondContact O-N 3.06Å; D264-N267 PolarHBondContact OD2-ND2 2.98Å; D264-R372 IonicContact OD1-CZ 3.92Å; D264-R372 IonicContact OD1-NE 3.45Å; D264-R372 PolarHBondContact OD1-NE 3.27Å; D264-R372 IonicContact OD1-NH2 3.27Å; D264-R372 PolarHBondContact OD1-NH2 3.39Å; D264-R372 IonicContact OD2-CZ 3.83Å; D264-R372 IonicContact OD2-NH2 3.97Å; D264-R372 PolarHBondContact OD2-NH2 3.24Å; D264-Y373 HydrophobicContact CB-CE2 3.68Å
265	P	94.5	Very high	92.2	Very high	44 Å²	44	58 Å²	58	29%	0.286	31%	0.306	S	S	.	.	G	3₁₀ helix	trans	-56	-27.3	176.8	-25.8	34.6	0	0	0	115	V261 G263 N267 V268 R372	V261-P265 HydrophobicContact CB-CG 4.19Å; V261-P265 HydrophobicContact CG1-CB 4.47Å; V261-P265 HydrophobicContact CG1-CG 4.23Å; G263-P265 WeakPolarHBondContact O-CD 3.33Å; P265-N267 PolarHBondContact O-N 3.43Å; P265-V268 WeakPolarHBondContact O-CG2 3.35Å; P265-R372 WeakPolarHBondContact CG-O 3.49Å
266	A	91.9	Very high	91.8	Very high	60 Å²	60	57.1 Å²	57.1	50%	0.496	31%	0.308	S	S	.	.	G	3₁₀ helix	trans	-68.1	-17.2	179.6	0	0	0	0	0	113.4	D264	D264-A266 PolarHBondContact O-N 3.3Å; D264-A266 VanDerWaalsContact O-N 3.12Å; D264-A266 WeakPolarHBondContact OD1-CB 3.46Å; D264-A266 PolarHBondContact OD1-N 3.15Å
267	N	94.4	Very high	91.3	Very high	2 Å²	2	57.6 Å²	57.6	1%	0.011	31%	0.31	C	S	.	.	G	3₁₀ helix	trans	-112.4	11.9	-174.4	-52.1	-45.4	0	0	0	113.4	Y251 D264 P265 E269 I270 T271 L289	Y251-N267 WeakPolarHBondContact O-CB 3.38Å; Y251-N267 PolarHBondContact O-ND2 3.12Å; D264-N267 WeakPolarHBondContact CB-ND2 3.47Å; D264-N267 VanDerWaalsContact CG-ND2 3.29Å; D264-N267 PolarHBondContact O-N 3.06Å; D264-N267 PolarHBondContact OD2-ND2 2.98Å; P265-N267 PolarHBondContact O-N 3.43Å; N267-E269 PolarHBondContact O-N 3.06Å; N267-I270 HydrophobicContact CB-CG2 3.85Å; N267-I270 WeakPolarHBondContact O-CG2 3.44Å; N267-I270 PolarHBondContact O-N 3.4Å; N267-T271 WeakPolarHBondContact O-CB 3.48Å; N267-T271 PolarHBondContact O-N 2.9Å; N267-T271 PolarHBondContact O-OG1 2.78Å; N267-L289 HydrophobicContact CB-CD1 3.8Å
268	V	94.5	Very high	90.8	Very high	10 Å²	10	48.9 Å²	48.9	6%	0.061	28%	0.276	C	S	.	.	H	α-helix	trans	-59.3	-49	-177	175.6	0	0	0	0	112.4	R255 V261 P265 I270 T271 E272	R255-V268 HydrophobicContact CB-CG1 4.34Å; V261-V268 HydrophobicContact CG1-CG2 3.67Å; V261-V268 HydrophobicContact CG2-CG2 4.01Å; P265-V268 WeakPolarHBondContact O-CG2 3.35Å; V268-I270 PolarHBondContact O-N 3.37Å; V268-T271 WeakPolarHBondContact O-CB 3.32Å; V268-T271 PolarHBondContact O-N 3.01Å; V268-T271 VanDerWaalsContact O-N 3.13Å; V268-E272 HydrophobicContact CG1-CG 4.35Å; V268-E272 VanDerWaalsContact CG1-OE1 3.25Å; V268-E272 WeakPolarHBondContact CG1-OE1 3.21Å; V268-E272 WeakPolarHBondContact O-CG 3.34Å; V268-E272 PolarHBondContact O-N 2.72Å
269	E	93.2	Very high	90.6	Very high	93 Å²	93	44.2 Å²	44.2	44%	0.435	25%	0.249	S	C	.	.	H	α-helix	trans	-57.1	-47	179.3	-67	-176.6	-155.6	0	0	112.3	N267 T271 E272 L273 W480 K481	N267-E269 PolarHBondContact O-N 3.06Å; E269-T271 VanDerWaalsContact C-N 3.33Å; E269-E272 PolarHBondContact O-N 2.83Å; E269-L273 WeakPolarHBondContact O-CG 3.27Å; E269-L273 PolarHBondContact O-N 2.87Å; E269-W480 PolarHBondContact OE2-NE1 3.13Å; E269-K481 IonicContact OE1-NZ 3.16Å; E269-K481 PolarHBondContact OE1-NZ 3.46Å; E269-K481 WeakPolarHBondContact OE2-CE 3.38Å; E269-K481 IonicContact OE2-NZ 2.74Å; E269-K481 PolarHBondContact OE2-NZ 3.03Å
270	I	93.4	Very high	90.6	Very high	12 Å²	12	46.5 Å²	46.5	6%	0.062	25%	0.252	C	S	.	.	H	α-helix	trans	-72.8	-27	179.9	-169.6	66.4	0	0	0	111.9	W244 N267 V268 L273 C274 L289 L292 W480	W244-I270 HydrophobicContact CB-CD1 4.01Å; N267-I270 HydrophobicContact CB-CG2 3.85Å; N267-I270 WeakPolarHBondContact O-CG2 3.44Å; N267-I270 PolarHBondContact O-N 3.4Å; V268-I270 PolarHBondContact O-N 3.37Å; I270-L273 HydrophobicContact CD1-CB 4.43Å; I270-L273 HydrophobicContact CD1-CD1 4.21Å; I270-L273 PolarHBondContact O-N 3.48Å; I270-C274 WeakPolarHBondContact O-CB 3.42Å; I270-C274 PolarHBondContact O-N 3.39Å; I270-C274 PolarHBondContact O-SG 2.82Å; I270-L289 HydrophobicContact CG2-CD1 4.07Å; I270-L292 HydrophobicContact CD1-CD1 3.88Å; I270-W480 HydrophobicContact CD1-CH2 4.27Å; I270-W480 HydrophobicContact CD1-CZ3 4.04Å
271	T	94.9	Very high	90.3	Very high	1 Å²	1	46.2 Å²	46.2	1%	0.006	25%	0.25	C	C	.	.	H	α-helix	trans	-65.9	-47.5	171.1	-56.7	0	0	0	0	110.8	A252 G253 Y254 N267 V268 E269 L273 C274 I275 W279 L289	A252-T271 HydrophobicContact CB-CG2 3.96Å; G253-T271 PolarHBondContact N-OG1 3.42Å; G253-T271 WeakPolarHBondContact O-CB 3.31Å; G253-T271 WeakPolarHBondContact O-CG2 3.44Å; Y254-T271 HydrophobicContact CD1-CG2 3.73Å; Y254-T271 HydrophobicContact CE1-CG2 3.59Å; N267-T271 WeakPolarHBondContact O-CB 3.48Å; N267-T271 PolarHBondContact O-N 2.9Å; N267-T271 PolarHBondContact O-OG1 2.78Å; V268-T271 WeakPolarHBondContact O-CB 3.32Å; V268-T271 PolarHBondContact O-N 3.01Å; V268-T271 VanDerWaalsContact O-N 3.13Å; E269-T271 VanDerWaalsContact C-N 3.33Å; T271-L273 VanDerWaalsContact C-N 3.32Å; T271-L273 PolarHBondContact O-N 2.94Å; T271-C274 PolarHBondContact O-N 3.04Å; T271-I275 HydrophobicContact CG2-CD1 4.21Å; T271-I275 WeakPolarHBondContact O-CG1 3.22Å; T271-I275 PolarHBondContact O-N 3.28Å; T271-W279 HydrophobicContact CG2-CZ3 4.13Å; T271-L289 HydrophobicContact CG2-CD2 4.37Å
272	E	92.9	Very high	89.7	Confident	73 Å²	73	47.1 Å²	47.1	34%	0.341	27%	0.268	S	S	.	.	H	α-helix	trans	-60.2	-41.1	175.8	-69.7	170.9	-175.4	0	0	110.8	R255 V268 E269 I275 Q276	R255-E272 IonicContact CZ-OE1 2.79Å; R255-E272 IonicContact NE-OE1 2.66Å; R255-E272 PolarHBondContact NE-OE1 2.65Å; R255-E272 VanDerWaalsContact NE-OE1 3.17Å; R255-E272 IonicContact NH2-OE1 2.76Å; V268-E272 HydrophobicContact CG1-CG 4.35Å; V268-E272 VanDerWaalsContact CG1-OE1 3.25Å; V268-E272 WeakPolarHBondContact CG1-OE1 3.21Å; V268-E272 WeakPolarHBondContact O-CG 3.34Å; V268-E272 PolarHBondContact O-N 2.72Å; E269-E272 PolarHBondContact O-N 2.83Å; E272-I275 PolarHBondContact O-N 3.48Å; E272-Q276 VanDerWaalsContact O-CG 3.28Å; E272-Q276 WeakPolarHBondContact O-CG 3.29Å; E272-Q276 PolarHBondContact O-N 2.78Å; E272-Q276 PolarHBondContact O-NE2 3.42Å
273	L	90.6	Very high	89.2	Confident	24 Å²	24	44.6 Å²	44.6	13%	0.126	26%	0.264	C	S	.	.	H	α-helix	trans	-64.6	-44.5	173.4	-72.2	167.7	0	0	0	113.1	W244 E269 I270 T271 I275 Q276 H277 L292 W480	W244-L273 HydrophobicContact CE3-CD1 4.24Å; W244-L273 HydrophobicContact CZ3-CD1 4.14Å; E269-L273 WeakPolarHBondContact O-CG 3.27Å; E269-L273 PolarHBondContact O-N 2.87Å; I270-L273 HydrophobicContact CD1-CB 4.43Å; I270-L273 HydrophobicContact CD1-CD1 4.21Å; I270-L273 PolarHBondContact O-N 3.48Å; T271-L273 VanDerWaalsContact C-N 3.32Å; T271-L273 PolarHBondContact O-N 2.94Å; L273-I275 VanDerWaalsContact C-N 3.28Å; L273-I275 PolarHBondContact O-N 3.16Å; L273-Q276 WeakPolarHBondContact O-CB 3.33Å; L273-Q276 PolarHBondContact O-N 3.07Å; L273-Q276 VanDerWaalsContact O-N 3.16Å; L273-H277 PolarHBondContact O-CD2 3.43Å; L273-H277 PolarHBondContact O-N 2.85Å; L273-L292 HydrophobicContact CB-CD1 4.03Å; L273-W480 HydrophobicContact CD1-CB 4.07Å; L273-W480 HydrophobicContact CD1-CD2 3.57Å; L273-W480 HydrophobicContact CD1-CE3 3.97Å; L273-W480 HydrophobicContact CD1-CG 3.62Å
274	C	89.4	Confident	88.9	Confident	0 Å²	0	45.2 Å²	45.2	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-60.1	-39	176.3	-73.9	0	0	0	0	112	I270 T271 H277 G278 W279 P290 L302	I270-C274 WeakPolarHBondContact O-CB 3.42Å; I270-C274 PolarHBondContact O-N 3.39Å; I270-C274 PolarHBondContact O-SG 2.82Å; T271-C274 PolarHBondContact O-N 3.04Å; C274-H277 CarbonylContact O-C 3.55Å; C274-H277 PolarHBondContact O-N 3.35Å; C274-G278 PolarHBondContact O-N 2.86Å; C274-W279 HydrophobicContact CB-CB 4.27Å; C274-W279 HydrophobicContact CB-CE3 4.07Å; C274-W279 WeakPolarHBondContact O-CB 3.23Å; C274-W279 PolarHBondContact O-N 2.7Å; C274-P290 HydrophobicContact CB-CG 3.93Å; C274-L302 HydrophobicContact CB-CD1 3.95Å; C274-L302 VanDerWaalsContact O-CD1 3.29Å; C274-L302 WeakPolarHBondContact O-CD1 3.39Å
275	I	86.9	Confident	88.8	Confident	71 Å²	71	49 Å²	49	36%	0.364	29%	0.285	S	S	.	.	H	α-helix	trans	-65.2	-43	174.8	-65.8	166.2	0	0	0	110.9	T271 E272 L273 H277 G278 W279 P281	T271-I275 HydrophobicContact CG2-CD1 4.21Å; T271-I275 WeakPolarHBondContact O-CG1 3.22Å; T271-I275 PolarHBondContact O-N 3.28Å; E272-I275 PolarHBondContact O-N 3.48Å; L273-I275 VanDerWaalsContact C-N 3.28Å; L273-I275 PolarHBondContact O-N 3.16Å; I275-H277 VanDerWaalsContact C-N 3.3Å; I275-H277 PolarHBondContact O-N 2.82Å; I275-G278 PolarHBondContact O-N 3.27Å; I275-W279 HydrophobicContact CG1-CE3 4.01Å; I275-P281 HydrophobicContact CD1-CG 4.21Å; I275-P281 HydrophobicContact CG1-CG 4.38Å
276	Q	85.4	Confident	88.8	Confident	129 Å²	129	48.1 Å²	48.1	60%	0.603	28%	0.276	S	S	*	.	H	α-helix	trans	-61.5	-37.2	175	-70.1	166.5	39.1	0	0	112.4	E272 L273 G278	E272-Q276 VanDerWaalsContact O-CG 3.28Å; E272-Q276 WeakPolarHBondContact O-CG 3.29Å; E272-Q276 PolarHBondContact O-N 2.78Å; E272-Q276 PolarHBondContact O-NE2 3.42Å; L273-Q276 WeakPolarHBondContact O-CB 3.33Å; L273-Q276 PolarHBondContact O-N 3.07Å; L273-Q276 VanDerWaalsContact O-N 3.16Å; Q276-G278 PolarHBondContact O-N 2.88Å
277	H	80.2	Confident	88.9	Confident	76 Å²	76	46.8 Å²	46.8	35%	0.352	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.1	15.8	172.2	-76.9	-103.7	0	0	0	113.7	L273 C274 I275 L292 P300 L302	L273-H277 PolarHBondContact O-CD2 3.43Å; L273-H277 PolarHBondContact O-N 2.85Å; C274-H277 CarbonylContact O-C 3.55Å; C274-H277 PolarHBondContact O-N 3.35Å; I275-H277 VanDerWaalsContact C-N 3.3Å; I275-H277 PolarHBondContact O-N 2.82Å; H277-L292 HydrophobicContact CB-CD2 3.92Å; H277-P300 PolarHBondContact ND1-O 3.28Å; H277-L302 HydrophobicContact CB-CB 4.33Å; H277-L302 HydrophobicContact CB-CD1 3.85Å
278	G	79.5	Confident	88.9	Confident	26 Å²	26	48.9 Å²	48.9	27%	0.268	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	90.8	7.7	166.4	0	0	0	0	0	115.6	C274 I275 Q276 K493	C274-G278 PolarHBondContact O-N 2.86Å; I275-G278 PolarHBondContact O-N 3.27Å; Q276-G278 PolarHBondContact O-N 2.88Å; G278-K493 WeakPolarHBondContact O-CE 3.24Å
279	W	87	Confident	88.8	Confident	30 Å²	30	48.5 Å²	48.5	11%	0.114	27%	0.272	C	S	.	.			trans	-62.1	150.4	169.3	-174.9	55.2	0	0	0	111.2	A252 Y254 T271 C274 I275 P281 D287 L289 P290 L302	A252-W279 HydrophobicContact CB-CH2 3.85Å; A252-W279 HydrophobicContact CB-CZ3 4.21Å; Y254-W279 HydrophobicContact CE1-CH2 4.41Å; Y254-W279 HydrophobicContact CE1-CZ3 4.1Å; Y254-W279 WeakPolarHBondContact OH-CH2 3.33Å; T271-W279 HydrophobicContact CG2-CZ3 4.13Å; C274-W279 HydrophobicContact CB-CB 4.27Å; C274-W279 HydrophobicContact CB-CE3 4.07Å; C274-W279 WeakPolarHBondContact O-CB 3.23Å; C274-W279 PolarHBondContact O-N 2.7Å; I275-W279 HydrophobicContact CG1-CE3 4.01Å; W279-P281 HydrophobicContact CE3-CB 4.19Å; W279-P281 HydrophobicContact CH2-CB 4.01Å; W279-P281 HydrophobicContact CZ2-CB 4.48Å; W279-P281 HydrophobicContact CZ3-CB 3.83Å; W279-D287 HydrophobicContact CH2-CB 4.43Å; W279-L289 HydrophobicContact CH2-CD2 4.07Å; W279-L289 HydrophobicContact CZ3-CD2 3.94Å; W279-P290 HydrophobicContact CB-CG 4.25Å; W279-P290 HydrophobicContact CD2-CG 3.96Å; W279-P290 HydrophobicContact CG-CG 3.8Å; W279-L302 HydrophobicContact CB-CD1 3.92Å; W279-L302 HydrophobicContact CB-CD2 4.33Å
280	T	86.8	Confident	88.8	Confident	98 Å²	98	44.1 Å²	44.1	60%	0.601	25%	0.251	S	S	*	.			trans	-123.4	105.5	178.2	-57.2	0	0	0	0	107.2	K493	T280-K493 PolarHBondContact OG1-NZ 2.89Å
281	P	85.4	Confident	88.8	Confident	49 Å²	49	43.6 Å²	43.6	32%	0.318	25%	0.248	S	C	.	.			trans	-73.8	155.1	-170.1	27.9	-34.6	0	0	0	113.1	Y254 I275 W279	Y254-P281 HydrophobicContact CE1-CB 3.46Å; Y254-P281 VanDerWaalsContact CE1-CB 3.46Å; Y254-P281 HydrophobicContact CE1-CG 4.13Å; Y254-P281 WeakPolarHBondContact OH-CB 3.27Å; I275-P281 HydrophobicContact CD1-CG 4.21Å; I275-P281 HydrophobicContact CG1-CG 4.38Å; W279-P281 HydrophobicContact CE3-CB 4.19Å; W279-P281 HydrophobicContact CH2-CB 4.01Å; W279-P281 HydrophobicContact CZ2-CB 4.48Å; W279-P281 HydrophobicContact CZ3-CB 3.83Å
282	G	81.4	Confident	88.7	Confident	66 Å²	66	43.5 Å²	43.5	68%	0.68	25%	0.248	S	C	*	.			trans	-79.7	-18.2	168.9	0	0	0	0	0	113.5	G284 D287	G282-G284 VanDerWaalsContact C-N 3.28Å; G282-G284 PolarHBondContact O-N 2.9Å; G282-D287 VanDerWaalsContact C-OD2 3.28Å; G282-D287 VanDerWaalsContact CA-OD2 3.31Å; G282-D287 WeakPolarHBondContact CA-OD2 3.38Å; G282-D287 PolarHBondContact N-OD2 3.3Å; G282-D287 VanDerWaalsContact N-OD2 3.13Å
283	N	80.9	Confident	88.7	Confident	66 Å²	66	40 Å²	40	35%	0.353	23%	0.232	S	C	.	.			trans	62.4	28	-173	-162.5	8.8	0	0	0	113.5	R262 D287	R262-N283 PolarHBondContact NE-O 3.16Å; R262-N283 PolarHBondContact NH1-O 3.12Å; N283-D287 PolarHBondContact N-OD2 3.29Å
284	G	89.3	Confident	88.8	Confident	20 Å²	20	41 Å²	41	21%	0.206	24%	0.235	C	C	.	.			trans	-87.7	161	174.7	0	0	0	0	0	114	Y254 G282 F286 D287	Y254-G284 WeakPolarHBondContact CE2-O 3.47Å; G282-G284 VanDerWaalsContact C-N 3.28Å; G282-G284 PolarHBondContact O-N 2.9Å; G284-F286 PolarHBondContact O-N 3.18Å; G284-D287 WeakPolarHBondContact CA-OD1 3.22Å; G284-D287 PolarHBondContact N-OD1 2.96Å; G284-D287 PolarHBondContact N-OD2 3.14Å
285	R	91.3	Very high	88.9	Confident	79 Å²	79	41 Å²	41	30%	0.298	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-17.9	178.5	-168.5	179.3	-168	179.3	10.1	113.2	G263 Y373	G263-R285 WeakPolarHBondContact CA-O 3.49Å; R285-Y373 HydrophobicContact CG-CE1 4.03Å; R285-Y373 PolarHBondContact O-OH 3.32Å
286	F	94.9	Very high	88.9	Confident	25 Å²	25	38.1 Å²	38.1	11%	0.11	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-136.7	34.9	-174.4	-59.7	-71.4	0	0	0	111.6	Y251 G284 V288 G327 L328 R329 Y373	Y251-F286 HydrophobicContact CD1-CB 3.92Å; Y251-F286 HydrophobicContact CD1-CD1 4.41Å; Y251-F286 VanDerWaalsContact CD1-O 3.22Å; Y251-F286 WeakPolarHBondContact CD1-O 3.3Å; Y251-F286 AromaticContact CD2-CD1 3.74Å; Y251-F286 HydrophobicContact CD2-CD1 3.74Å; Y251-F286 HydrophobicContact CD2-CE1 4.47Å; Y251-F286 HydrophobicContact CE1-CB 3.77Å; Y251-F286 HydrophobicContact CE1-CD1 4.33Å; Y251-F286 VanDerWaalsContact CE1-O 3.3Å; Y251-F286 WeakPolarHBondContact CE1-O 3.33Å; Y251-F286 AromaticContact CE2-CD1 3.63Å; Y251-F286 HydrophobicContact CE2-CD1 3.63Å; Y251-F286 HydrophobicContact CE2-CE1 4.34Å; Y251-F286 HydrophobicContact CG-CB 4.39Å; Y251-F286 HydrophobicContact CG-CD1 4.13Å; Y251-F286 AromaticContact CZ-CD1 3.94Å; G284-F286 PolarHBondContact O-N 3.18Å; F286-V288 PolarHBondContact O-N 3.02Å; F286-G327 WeakPolarHBondContact CE2-O 3.31Å; F286-L328 HydrophobicContact CE2-CD2 4.41Å; F286-L328 HydrophobicContact CZ-CD2 3.9Å; F286-R329 HydrophobicContact CB-CG 3.8Å; F286-R329 HydrophobicContact CD1-CG 3.84Å; F286-R329 HydrophobicContact CD2-CG 3.73Å; F286-R329 HydrophobicContact CE1-CG 4.33Å; F286-R329 WeakPolarHBondContact CE1-O 3.21Å; F286-R329 HydrophobicContact CE2-CG 4.24Å; F286-R329 HydrophobicContact CG-CG 3.51Å; F286-Y373 HydrophobicContact CD1-CE1 4.13Å; F286-Y373 HydrophobicContact CE1-CD1 4.28Å; F286-Y373 AromaticContact CE1-CE1 3.45Å; F286-Y373 HydrophobicContact CE1-CE1 3.45Å; F286-Y373 VanDerWaalsContact CE1-CE1 3.45Å; F286-Y373 AromaticContact CE1-CZ 3.91Å; F286-Y373 HydrophobicContact CZ-CD1 4.45Å; F286-Y373 AromaticContact CZ-CE1 3.93Å; F286-Y373 HydrophobicContact CZ-CE1 3.93Å
287	D	94.6	Very high	88.8	Confident	32 Å²	32	37.8 Å²	37.8	17%	0.171	22%	0.224	C	C	.	.	P	Polyproline II helix	trans	-66.5	121.6	172.9	-71.8	-0.5	0	0	0	109.9	Y251 A252 Y254 W279 G282 N283 G284 L289	Y251-D287 CarbonylContact C-O 3.6Å; Y251-D287 VanDerWaalsContact CA-O 3.28Å; Y251-D287 WeakPolarHBondContact CA-O 3.41Å; A252-D287 HydrophobicContact CB-CB 4.14Å; A252-D287 PolarHBondContact N-O 3.29Å; Y254-D287 HydrophobicContact CE2-CB 4.4Å; Y254-D287 WeakPolarHBondContact CE2-OD2 3.45Å; Y254-D287 WeakPolarHBondContact OH-CB 3.44Å; Y254-D287 PolarHBondContact OH-OD2 3.1Å; W279-D287 HydrophobicContact CH2-CB 4.43Å; G282-D287 VanDerWaalsContact C-OD2 3.28Å; G282-D287 VanDerWaalsContact CA-OD2 3.31Å; G282-D287 WeakPolarHBondContact CA-OD2 3.38Å; G282-D287 PolarHBondContact N-OD2 3.3Å; G282-D287 VanDerWaalsContact N-OD2 3.13Å; N283-D287 PolarHBondContact N-OD2 3.29Å; G284-D287 WeakPolarHBondContact CA-OD1 3.22Å; G284-D287 PolarHBondContact N-OD1 2.96Å; G284-D287 PolarHBondContact N-OD2 3.14Å; D287-L289 PolarHBondContact O-N 3.22Å
288	V	94.2	Very high	89.1	Confident	46 Å²	46	38.2 Å²	38.2	28%	0.279	23%	0.226	S	C	.	.	B	Isolated β-bridge	trans	-69.4	128	176.6	-178.1	0	0	0	0	110	V249 R250 Y251 F286 L305 V310	V249-V288 HydrophobicContact CG1-CG1 4.36Å; R250-V288 WeakPolarHBondContact O-CA 3.19Å; Y251-V288 HydrophobicContact CD1-CG2 4.41Å; Y251-V288 HydrophobicContact CE1-CG2 4.17Å; F286-V288 PolarHBondContact O-N 3.02Å; V288-L305 HydrophobicContact CG1-CD1 4.29Å; V288-V310 HydrophobicContact CG1-CG2 4.36Å; V288-V310 HydrophobicContact CG2-CG1 4.04Å
289	L	93.6	Very high	89.2	Confident	3 Å²	3	40.2 Å²	40.2	2%	0.016	23%	0.234	C	C	.	.	P	Polyproline II helix	trans	-71.2	142.6	177.4	-78.1	170	0	0	0	112	R250 A252 N267 I270 T271 W279 D287	R250-L289 HydrophobicContact CB-CD1 3.97Å; R250-L289 PolarHBondContact O-N 2.83Å; A252-L289 HydrophobicContact CB-CD2 3.67Å; A252-L289 HydrophobicContact CB-CG 4Å; N267-L289 HydrophobicContact CB-CD1 3.8Å; I270-L289 HydrophobicContact CG2-CD1 4.07Å; T271-L289 HydrophobicContact CG2-CD2 4.37Å; W279-L289 HydrophobicContact CH2-CD2 4.07Å; W279-L289 HydrophobicContact CZ3-CD2 3.94Å; D287-L289 PolarHBondContact O-N 3.22Å
290	P	92.6	Very high	89.3	Confident	1 Å²	1	39.5 Å²	39.5	1%	0.006	23%	0.234	C	C	.	.	P	Polyproline II helix	trans	-68.9	161.6	163	31.3	-33.8	0	0	0	111.1	N245 C274 W279 L302 F303 L304	N245-P290 PolarHBondContact ND2-O 2.76Å; C274-P290 HydrophobicContact CB-CG 3.93Å; W279-P290 HydrophobicContact CB-CG 4.25Å; W279-P290 HydrophobicContact CD2-CG 3.96Å; W279-P290 HydrophobicContact CG-CG 3.8Å; P290-L302 HydrophobicContact CB-CD1 4.41Å; P290-L302 HydrophobicContact CB-CD2 3.72Å; P290-L302 HydrophobicContact CB-CG 3.93Å; P290-L302 HydrophobicContact CG-CD1 3.93Å; P290-L302 HydrophobicContact CG-CD2 3.95Å; P290-L302 HydrophobicContact CG-CG 4.01Å; P290-F303 CarbonylContact C-O 3.57Å; P290-F303 VanDerWaalsContact CA-O 3.28Å; P290-F303 WeakPolarHBondContact CA-O 3.29Å; P290-F303 WeakPolarHBondContact CB-O 3.32Å; P290-L304 HydrophobicContact CB-CD2 4.25Å
291	L	93.4	Very high	89.3	Confident	0 Å²	0	37.2 Å²	37.2	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	130.1	173.3	-67.6	173.6	0	0	0	110.6	F208 I211 N245 L248 L293 L302 F303 L305	F208-L291 HydrophobicContact CD2-CD1 4.15Å; F208-L291 HydrophobicContact CE2-CD1 4.18Å; I211-L291 HydrophobicContact CD1-CD1 4.45Å; I211-L291 HydrophobicContact CG2-CD1 3.54Å; N245-L291 HydrophobicContact CB-CD2 4.02Å; N245-L291 WeakPolarHBondContact OD1-CA 3.35Å; L248-L291 WeakPolarHBondContact O-CD2 3.45Å; L291-L293 HydrophobicContact CB-CD1 4.4Å; L291-L293 HydrophobicContact CB-CD2 4.1Å; L291-L293 HydrophobicContact CB-CG 3.99Å; L291-L302 WeakPolarHBondContact O-CA 3.32Å; L291-F303 PolarHBondContact N-O 2.91Å; L291-F303 PolarHBondContact O-N 3.27Å; L291-L305 HydrophobicContact CD1-CD2 3.95Å; L291-L305 HydrophobicContact CD1-CG 4.31Å; L291-L305 HydrophobicContact CG-CG 4.39Å
292	L	93.1	Very high	89.3	Confident	0 Å²	0	37 Å²	37	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	113.6	162.4	-82.2	168.3	0	0	0	108.1	W244 N245 I270 L273 H277 P300 E301 L302	W244-L292 HydrophobicContact CB-CB 3.79Å; W244-L292 WeakPolarHBondContact CB-O 3.35Å; W244-L292 HydrophobicContact CD2-CB 4.41Å; W244-L292 HydrophobicContact CE3-CD1 4.26Å; W244-L292 HydrophobicContact CG-CB 4.08Å; W244-L292 PolarHBondContact N-O 3.28Å; N245-L292 PolarHBondContact OD1-N 3.11Å; I270-L292 HydrophobicContact CD1-CD1 3.88Å; L273-L292 HydrophobicContact CB-CD1 4.03Å; H277-L292 HydrophobicContact CB-CD2 3.92Å; L292-P300 HydrophobicContact CD2-CB 4.3Å; L292-E301 WeakPolarHBondContact CA-O 3.27Å; L292-L302 HydrophobicContact CD2-CB 3.92Å; L292-L302 HydrophobicContact CD2-CD1 4.18Å; L292-L302 HydrophobicContact CD2-CG 4.37Å; L292-L302 HydrophobicContact CG-CD1 4.45Å
293	L	93.1	Very high	89.6	Confident	0 Å²	0	34.5 Å²	34.5	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	136.5	-174.6	-58.3	-179.1	0	0	0	110.1	A204 M207 F208 I211 I243 L291 P300 E301 F303	A204-L293 HydrophobicContact CB-CB 4.47Å; M207-L293 HydrophobicContact SD-CB 4.19Å; M207-L293 HydrophobicContact SD-CD2 4.24Å; F208-L293 HydrophobicContact CB-CD1 3.67Å; F208-L293 HydrophobicContact CD2-CD1 4.02Å; F208-L293 HydrophobicContact CG-CD1 4.33Å; I211-L293 HydrophobicContact CD1-CD1 3.89Å; I211-L293 HydrophobicContact CD1-CD2 3.58Å; I211-L293 HydrophobicContact CD1-CG 4.43Å; I243-L293 HydrophobicContact CB-CD2 4.2Å; I243-L293 HydrophobicContact CG1-CD2 3.92Å; I243-L293 HydrophobicContact CG2-CD2 3.89Å; L291-L293 HydrophobicContact CB-CD1 4.4Å; L291-L293 HydrophobicContact CB-CD2 4.1Å; L291-L293 HydrophobicContact CB-CG 3.99Å; L293-P300 CarbonylContact O-C 3.57Å; L293-P300 WeakPolarHBondContact O-CA 3.37Å; L293-E301 PolarHBondContact N-O 3.13Å; L293-E301 PolarHBondContact O-N 2.83Å; L293-F303 HydrophobicContact CB-CD2 4.08Å; L293-F303 HydrophobicContact CB-CE2 3.97Å; L293-F303 HydrophobicContact CD1-CD2 3.78Å; L293-F303 HydrophobicContact CD1-CE2 4.07Å; L293-F303 HydrophobicContact CD1-CG 4.36Å; L293-F303 HydrophobicContact CG-CD2 4Å; L293-F303 HydrophobicContact CG-CE2 4.34Å
294	Q	92.4	Very high	89.7	Confident	44 Å²	44	34 Å²	34	21%	0.206	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	127.9	-176	-175.3	173	16.2	0	0	110.2	F241 R242 E298 P300	F241-Q294 WeakPolarHBondContact CA-O 3.34Å; R242-Q294 HydrophobicContact CB-CB 4.32Å; R242-Q294 PolarHBondContact N-O 2.84Å; R242-Q294 PolarHBondContact O-N 2.88Å; Q294-E298 WeakPolarHBondContact CG-O 3.38Å; Q294-E298 PolarHBondContact NE2-O 2.85Å; Q294-P300 HydrophobicContact CB-CB 4.27Å
295	A	91	Very high	89.5	Confident	1 Å²	1	34 Å²	34	1%	0.008	17%	0.174	C	C	.	.			trans	-91.2	161.5	166.1	0	0	0	0	0	110.4	A204 F241 D297 E298	A204-A295 HydrophobicContact CB-CB 4.48Å; F241-A295 HydrophobicContact CD1-CB 4.3Å; F241-A295 HydrophobicContact CE1-CB 3.85Å; F241-A295 HydrophobicContact CZ-CB 4.39Å; A295-D297 PolarHBondContact O-N 3.42Å; A295-E298 HydrophobicContact CB-CB 4.43Å; A295-E298 PolarHBondContact O-N 3.11Å
296	P	87.7	Confident	89.1	Confident	10 Å²	10	30.8 Å²	30.8	7%	0.065	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.4	129.7	179.8	-32.4	39.5	0	0	0	113.2	R238 G239 F241 E298	R238-P296 HydrophobicContact CG-CB 3.95Å; R238-P296 VanDerWaalsContact NE-CB 3.33Å; G239-P296 VanDerWaalsContact O-CB 3.25Å; G239-P296 WeakPolarHBondContact O-CB 3.11Å; G239-P296 WeakPolarHBondContact O-CG 3.33Å; F241-P296 VanDerWaalsContact CD2-CD 3.41Å; F241-P296 HydrophobicContact CD2-CG 3.49Å; F241-P296 VanDerWaalsContact CD2-CG 3.49Å; F241-P296 HydrophobicContact CE2-CG 3.45Å; F241-P296 VanDerWaalsContact CE2-CG 3.45Å; F241-P296 HydrophobicContact CG-CG 4.18Å; F241-P296 VanDerWaalsContact CZ-CD 3.43Å; F241-P296 HydrophobicContact CZ-CG 4.13Å; P296-E298 PolarHBondContact O-N 2.96Å; P296-E298 VanDerWaalsContact O-N 3.08Å
297	D	83.4	Confident	88.3	Confident	121 Å²	121	34.6 Å²	34.6	65%	0.647	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	64.5	6.4	175.8	-47.6	-63.6	0	0	0	114.9	R238 G239 A295	R238-D297 WeakPolarHBondContact CG-OD2 3.4Å; G239-D297 VanDerWaalsContact N-CG 3.31Å; G239-D297 PolarHBondContact N-OD1 2.8Å; G239-D297 PolarHBondContact N-OD2 2.94Å; A295-D297 PolarHBondContact O-N 3.42Å
298	E	85.3	Confident	87.7	Confident	85 Å²	85	40.1 Å²	40.1	40%	0.397	22%	0.216	S	C	.	.	S	Bend	trans	-101.6	155.9	174.8	-68.9	-178.8	-177.7	0	0	112	Q294 A295 P296	Q294-E298 WeakPolarHBondContact CG-O 3.38Å; Q294-E298 PolarHBondContact NE2-O 2.85Å; A295-E298 HydrophobicContact CB-CB 4.43Å; A295-E298 PolarHBondContact O-N 3.11Å; P296-E298 PolarHBondContact O-N 2.96Å; P296-E298 VanDerWaalsContact O-N 3.08Å
299	P	82.4	Confident	87.2	Confident	69 Å²	69	39.3 Å²	39.3	45%	0.448	21%	0.21	S	C	.	.	P	Polyproline II helix	trans	-70.7	157.1	167	31.8	-35.4	0	0	0	111.2	E301	P299-E301 PolarHBondContact O-N 3.38Å
300	P	88.4	Confident	87.1	Confident	15 Å²	15	40 Å²	40	10%	0.097	22%	0.215	C	C	.	.	P	Polyproline II helix	trans	-70.1	130.4	178.4	31	-37.3	0	0	0	112.1	W244 H277 L292 L293 Q294	W244-P300 HydrophobicContact CD2-CB 4.29Å; W244-P300 HydrophobicContact CH2-CB 4.48Å; W244-P300 HydrophobicContact CH2-CG 3.75Å; W244-P300 HydrophobicContact CZ2-CB 3.94Å; W244-P300 HydrophobicContact CZ2-CG 3.56Å; W244-P300 HydrophobicContact CZ3-CG 4.28Å; H277-P300 PolarHBondContact ND1-O 3.28Å; L292-P300 HydrophobicContact CD2-CB 4.3Å; L293-P300 CarbonylContact O-C 3.57Å; L293-P300 WeakPolarHBondContact O-CA 3.37Å; Q294-P300 HydrophobicContact CB-CB 4.27Å
301	E	86.1	Confident	87.2	Confident	50 Å²	50	43 Å²	43	23%	0.234	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	149.2	171.7	-80.4	-161.2	-165.6	0	0	111.7	A204 Q205 L292 L293 P299 F303 K494	A204-E301 HydrophobicContact CB-CB 4.43Å; Q205-E301 PolarHBondContact NE2-OE1 3.03Å; Q205-E301 PolarHBondContact NE2-OE2 2.81Å; L292-E301 WeakPolarHBondContact CA-O 3.27Å; L293-E301 PolarHBondContact N-O 3.13Å; L293-E301 PolarHBondContact O-N 2.83Å; P299-E301 PolarHBondContact O-N 3.38Å; E301-F303 HydrophobicContact CB-CD2 4.34Å; E301-F303 HydrophobicContact CB-CE2 3.51Å; E301-F303 HydrophobicContact CB-CZ 3.99Å; E301-K494 IonicContact OE1-NZ 2.75Å; E301-K494 PolarHBondContact OE1-NZ 3.01Å; E301-K494 IonicContact OE2-NZ 3.17Å; E301-K494 PolarHBondContact OE2-NZ 2.88Å
302	L	86.8	Confident	87.3	Confident	43 Å²	43	45.6 Å²	45.6	23%	0.225	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	126	-177.9	-171.4	144.4	0	0	0	111.8	C274 H277 W279 P290 L291 L292	C274-L302 HydrophobicContact CB-CD1 3.95Å; C274-L302 VanDerWaalsContact O-CD1 3.29Å; C274-L302 WeakPolarHBondContact O-CD1 3.39Å; H277-L302 HydrophobicContact CB-CB 4.33Å; H277-L302 HydrophobicContact CB-CD1 3.85Å; W279-L302 HydrophobicContact CB-CD1 3.92Å; W279-L302 HydrophobicContact CB-CD2 4.33Å; P290-L302 HydrophobicContact CB-CD1 4.41Å; P290-L302 HydrophobicContact CB-CD2 3.72Å; P290-L302 HydrophobicContact CB-CG 3.93Å; P290-L302 HydrophobicContact CG-CD1 3.93Å; P290-L302 HydrophobicContact CG-CD2 3.95Å; P290-L302 HydrophobicContact CG-CG 4.01Å; L291-L302 WeakPolarHBondContact O-CA 3.32Å; L292-L302 HydrophobicContact CD2-CB 3.92Å; L292-L302 HydrophobicContact CD2-CD1 4.18Å; L292-L302 HydrophobicContact CD2-CG 4.37Å; L292-L302 HydrophobicContact CG-CD1 4.45Å
303	F	86.8	Confident	87.5	Confident	15 Å²	15	45.7 Å²	45.7	7%	0.066	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	124.3	-177.4	-62.6	-95.3	0	0	0	111.9	A204 Q205 F208 P290 L291 L293 E301	A204-F303 HydrophobicContact CB-CE2 4.06Å; A204-F303 HydrophobicContact CB-CZ 4.1Å; A204-F303 WeakPolarHBondContact O-CZ 3.47Å; Q205-F303 HydrophobicContact CB-CE1 4.4Å; Q205-F303 HydrophobicContact CG-CE1 3.98Å; Q205-F303 HydrophobicContact CG-CZ 3.99Å; F208-F303 HydrophobicContact CB-CD1 3.72Å; F208-F303 HydrophobicContact CB-CD2 4.45Å; F208-F303 HydrophobicContact CB-CE1 3.88Å; F208-F303 HydrophobicContact CB-CG 4.03Å; F208-F303 HydrophobicContact CB-CZ 4.32Å; F208-F303 HydrophobicContact CD1-CB 4.36Å; F208-F303 AromaticContact CD1-CD1 3.6Å; F208-F303 HydrophobicContact CD1-CD1 3.6Å; F208-F303 HydrophobicContact CD1-CE1 4.25Å; F208-F303 HydrophobicContact CD1-CG 4.25Å; F208-F303 HydrophobicContact CD2-CB 3.43Å; F208-F303 VanDerWaalsContact CD2-CB 3.43Å; F208-F303 AromaticContact CD2-CD1 3.96Å; F208-F303 HydrophobicContact CD2-CD1 3.96Å; F208-F303 AromaticContact CD2-CG 3.75Å; F208-F303 HydrophobicContact CD2-CG 3.75Å; F208-F303 HydrophobicContact CE1-CB 4.39Å; F208-F303 HydrophobicContact CE1-CD1 4.17Å; F208-F303 HydrophobicContact CE2-CB 3.48Å; F208-F303 VanDerWaalsContact CE2-CB 3.48Å; F208-F303 HydrophobicContact CE2-CD1 4.5Å; F208-F303 HydrophobicContact CE2-CG 4.26Å; F208-F303 HydrophobicContact CG-CB 3.9Å; F208-F303 AromaticContact CG-CD1 3.47Å; F208-F303 HydrophobicContact CG-CD1 3.47Å; F208-F303 VanDerWaalsContact CG-CD1 3.47Å; F208-F303 HydrophobicContact CG-CE1 4.12Å; F208-F303 AromaticContact CG-CG 3.74Å; F208-F303 HydrophobicContact CG-CG 3.74Å; F208-F303 HydrophobicContact CZ-CB 3.98Å; P290-F303 CarbonylContact C-O 3.57Å; P290-F303 VanDerWaalsContact CA-O 3.28Å; P290-F303 WeakPolarHBondContact CA-O 3.29Å; P290-F303 WeakPolarHBondContact CB-O 3.32Å; L291-F303 PolarHBondContact N-O 2.91Å; L291-F303 PolarHBondContact O-N 3.27Å; L293-F303 HydrophobicContact CB-CD2 4.08Å; L293-F303 HydrophobicContact CB-CE2 3.97Å; L293-F303 HydrophobicContact CD1-CD2 3.78Å; L293-F303 HydrophobicContact CD1-CE2 4.07Å; L293-F303 HydrophobicContact CD1-CG 4.36Å; L293-F303 HydrophobicContact CG-CD2 4Å; L293-F303 HydrophobicContact CG-CE2 4.34Å; E301-F303 HydrophobicContact CB-CD2 4.34Å; E301-F303 HydrophobicContact CB-CE2 3.51Å; E301-F303 HydrophobicContact CB-CZ 3.99Å
304	L	84	Confident	87.8	Confident	54 Å²	54	49.5 Å²	49.5	28%	0.283	27%	0.268	S	S	.	.	P	Polyproline II helix	trans	-75.4	126.7	171.1	-61.7	172.6	0	0	0	109.6	F208 P290 F496	F208-L304 VanDerWaalsContact CZ-O 3.31Å; F208-L304 WeakPolarHBondContact CZ-O 3.25Å; P290-L304 HydrophobicContact CB-CD2 4.25Å; L304-F496 HydrophobicContact CD1-CD2 3.78Å; L304-F496 HydrophobicContact CD1-CE2 4.07Å
305	L	84.5	Confident	88	Confident	20 Å²	20	47.6 Å²	47.6	11%	0.105	26%	0.259	C	S	.	.	P	Polyproline II helix	trans	-68.1	135.9	169.9	-78.2	171.3	0	0	0	110.7	F208 I215 L248 V249 V288 L291 V310	F208-L305 HydrophobicContact CE2-CD2 4.15Å; I215-L305 HydrophobicContact CD1-CD2 3.68Å; L248-L305 WeakPolarHBondContact O-CD1 3.35Å; V249-L305 HydrophobicContact CG2-CD1 4.28Å; V288-L305 HydrophobicContact CG1-CD1 4.29Å; L291-L305 HydrophobicContact CD1-CD2 3.95Å; L291-L305 HydrophobicContact CD1-CG 4.31Å; L291-L305 HydrophobicContact CG-CG 4.39Å; L305-V310 HydrophobicContact CB-CG2 4.29Å; L305-V310 HydrophobicContact CD1-CG2 4.25Å
306	P	82.6	Confident	88.4	Confident	12 Å²	12	51.3 Å²	51.3	8%	0.078	28%	0.276	C	S	.	.	P	Polyproline II helix	trans	-63.6	127	169.8	-17.2	30.1	0	0	0	110.2	E308 L309 V503	P306-E308 HydrophobicContact CB-CG 4.31Å; P306-E308 WeakPolarHBondContact CB-OE1 3.28Å; P306-E308 WeakPolarHBondContact CB-OE2 3.19Å; P306-E308 PolarHBondContact O-N 3.33Å; P306-E308 VanDerWaalsContact O-N 3.15Å; P306-L309 HydrophobicContact CB-CG 4.3Å; P306-L309 HydrophobicContact CG-CD1 4.09Å; P306-L309 HydrophobicContact CG-CG 4.42Å; P306-L309 PolarHBondContact O-N 2.88Å; P306-V503 HydrophobicContact CG-CG1 4.01Å; P306-V503 HydrophobicContact CG-CG2 4.07Å
307	P	79.3	Confident	88.9	Confident	105 Å²	105	51.5 Å²	51.5	68%	0.682	28%	0.276	S	S	*	.	G	3₁₀ helix	trans	-55.8	-32.3	-178.1	-27.4	35.7	0	0	0	113.8	L309 V310	P307-L309 PolarHBondContact O-N 3.12Å; P307-L309 VanDerWaalsContact O-N 3.17Å; P307-V310 PolarHBondContact O-N 3.22Å
308	E	81.4	Confident	89.5	Confident	148 Å²	148	48.9 Å²	48.9	69%	0.692	27%	0.266	S	S	*	.	G	3₁₀ helix	trans	-66.9	-11.5	178.6	69.8	-88.1	-153	0	0	114.7	P306	P306-E308 HydrophobicContact CB-CG 4.31Å; P306-E308 WeakPolarHBondContact CB-OE1 3.28Å; P306-E308 WeakPolarHBondContact CB-OE2 3.19Å; P306-E308 PolarHBondContact O-N 3.33Å; P306-E308 VanDerWaalsContact O-N 3.15Å
309	L	83.6	Confident	90	Very high	30 Å²	30	49.9 Å²	49.9	16%	0.157	28%	0.278	C	S	.	.	G	3₁₀ helix	trans	-92.1	-15.4	171.1	-61.2	-173.7	0	0	0	112.9	C212 I215 K216 P306 P307	C212-L309 HydrophobicContact CB-CD1 3.7Å; I215-L309 HydrophobicContact CG2-CB 4.05Å; I215-L309 WeakPolarHBondContact CG2-O 3.44Å; K216-L309 HydrophobicContact CB-CD2 4.04Å; K216-L309 HydrophobicContact CG-CD2 4.31Å; P306-L309 HydrophobicContact CB-CG 4.3Å; P306-L309 HydrophobicContact CG-CD1 4.09Å; P306-L309 HydrophobicContact CG-CG 4.42Å; P306-L309 PolarHBondContact O-N 2.88Å; P307-L309 PolarHBondContact O-N 3.12Å; P307-L309 VanDerWaalsContact O-N 3.17Å
310	V	91.3	Very high	90.7	Very high	18 Å²	18	48.2 Å²	48.2	11%	0.109	27%	0.265	C	S	.	.			trans	-101.9	89.2	-175.2	-174.7	0	0	0	0	109.6	V249 V288 L305 P307 E312	V249-V310 HydrophobicContact CG1-CG1 3.82Å; V288-V310 HydrophobicContact CG1-CG2 4.36Å; V288-V310 HydrophobicContact CG2-CG1 4.04Å; L305-V310 HydrophobicContact CB-CG2 4.29Å; L305-V310 HydrophobicContact CD1-CG2 4.25Å; P307-V310 PolarHBondContact O-N 3.22Å; V310-E312 HydrophobicContact CG1-CG 4.28Å; V310-E312 PolarHBondContact O-N 3.32Å; V310-E312 VanDerWaalsContact O-N 3.07Å
311	L	93.7	Very high	91	Very high	64 Å²	64	56.4 Å²	56.4	34%	0.335	30%	0.302	S	S	.	.			trans	-71	100.5	173.1	179.4	58.4	0	0	0	110	T219 Y331 A332 V415	T219-L311 HydrophobicContact CG2-CB 3.77Å; T219-L311 HydrophobicContact CG2-CD2 3.89Å; L311-Y331 WeakPolarHBondContact O-CA 3.41Å; L311-A332 HydrophobicContact CB-CB 4.1Å; L311-A332 HydrophobicContact CD2-CB 4.02Å; L311-A332 HydrophobicContact CG-CB 4Å; L311-A332 WeakPolarHBondContact O-CB 3.28Å; L311-A332 PolarHBondContact O-N 3.21Å; L311-V415 HydrophobicContact CD2-CG2 3.89Å
312	E	96.4	Very high	91.4	Very high	53 Å²	53	57.5 Å²	57.5	25%	0.248	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	139.8	168.5	-57.4	-155.5	101.1	0	0	111.4	Y251 V310 R329	Y251-E312 WeakPolarHBondContact CE1-OE1 3.16Å; Y251-E312 VanDerWaalsContact CZ-OE1 3.28Å; Y251-E312 PolarHBondContact OH-OE1 3.29Å; V310-E312 HydrophobicContact CG1-CG 4.28Å; V310-E312 PolarHBondContact O-N 3.32Å; V310-E312 VanDerWaalsContact O-N 3.07Å; E312-R329 VanDerWaalsContact CD-CD 3.41Å; E312-R329 WeakPolarHBondContact OE1-CD 3.07Å; E312-R329 VanDerWaalsContact OE2-CD 3.25Å; E312-R329 WeakPolarHBondContact OE2-CD 3.33Å; E312-R329 IonicContact OE2-CZ 3.47Å; E312-R329 IonicContact OE2-NE 2.79Å; E312-R329 IonicContact OE2-NH1 2.81Å; E312-R329 PolarHBondContact OE2-NH1 3Å
313	V	97.9	Very high	92	Very high	2 Å²	2	55.5 Å²	55.5	1%	0.012	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	109.6	169.9	-178.2	0	0	0	0	108	L315 R329 W330 Y410 A413 V415	V313-L315 HydrophobicContact CG1-CD2 4.41Å; V313-R329 CarbonylContact O-C 3.59Å; V313-R329 WeakPolarHBondContact O-CA 3.36Å; V313-R329 WeakPolarHBondContact O-CB 3.25Å; V313-W330 PolarHBondContact N-O 2.81Å; V313-W330 PolarHBondContact O-N 2.67Å; V313-Y410 HydrophobicContact CB-CD2 4.06Å; V313-Y410 HydrophobicContact CB-CE2 3.66Å; V313-Y410 HydrophobicContact CG1-CD2 3.67Å; V313-Y410 HydrophobicContact CG1-CE2 3.78Å; V313-Y410 HydrophobicContact CG1-CG 4.38Å; V313-Y410 HydrophobicContact CG2-CD2 4.21Å; V313-Y410 HydrophobicContact CG2-CE1 4.24Å; V313-Y410 HydrophobicContact CG2-CE2 3.88Å; V313-Y410 HydrophobicContact CG2-CG 4.49Å; V313-A413 HydrophobicContact CG1-CB 3.96Å; V313-A413 HydrophobicContact CG2-CB 4.17Å; V313-V415 HydrophobicContact CG2-CB 4.3Å; V313-V415 HydrophobicContact CG2-CG2 3.75Å
314	P	97.9	Very high	92.4	Very high	81 Å²	81	57.3 Å²	57.3	53%	0.526	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.9	146.7	165.8	-19.7	32.8	0	0	0	110.3	S409	P314-S409 WeakPolarHBondContact O-CB 3.34Å
315	L	98.1	Very high	92.9	Very high	3 Å²	3	59.1 Å²	59.1	2%	0.016	33%	0.333	C	S	.	.			trans	-106.8	124.5	-178.4	-56.9	-176	0	0	0	112.3	V313 F323 L328 L367 V406 S409 Y410	V313-L315 HydrophobicContact CG1-CD2 4.41Å; L315-F323 HydrophobicContact CB-CE1 4.12Å; L315-L328 HydrophobicContact CB-CB 4.07Å; L315-L328 HydrophobicContact CD1-CB 4.18Å; L315-L328 HydrophobicContact CG-CB 4.41Å; L315-L328 PolarHBondContact N-O 3.24Å; L315-L367 HydrophobicContact CD1-CD1 3.68Å; L315-V406 HydrophobicContact CD1-CG2 3.94Å; L315-V406 HydrophobicContact CD2-CG2 4.38Å; L315-S409 WeakPolarHBondContact CA-OG 3.48Å; L315-Y410 HydrophobicContact CD2-CE2 4.39Å
316	E	97.9	Very high	93.4	Very high	79 Å²	79	60.3 Å²	60.3	37%	0.369	34%	0.34	S	S	.	.			trans	-133.9	163.2	175.9	60.1	-174.3	-118.9	0	0	110.6	A324 A405 S409 L412	E316-A324 HydrophobicContact CB-CB 4.15Å; E316-A405 VanDerWaalsContact O-CA 3.29Å; E316-A405 WeakPolarHBondContact O-CA 3.17Å; E316-A405 WeakPolarHBondContact O-CB 3.32Å; E316-S409 PolarHBondContact N-OG 3.27Å; E316-S409 PolarHBondContact O-OG 2.88Å; E316-L412 WeakPolarHBondContact OE1-CD2 3.44Å
317	H	98.2	Very high	94	Very high	14 Å²	14	61.7 Å²	61.7	7%	0.065	36%	0.356	C	S	.	.			trans	-120.1	136.9	-175.6	-165.2	-98.7	0	0	0	110.8	T319 L320 F323 E401 V404 A405	H317-T319 PolarHBondContact CE1-OG1 3.37Å; H317-T319 PolarHBondContact ND1-OG1 2.9Å; H317-T319 VanDerWaalsContact ND1-OG1 3.09Å; H317-T319 PolarHBondContact O-N 3.05Å; H317-L320 HydrophobicContact CB-CB 3.9Å; H317-L320 WeakPolarHBondContact ND1-CG 3.48Å; H317-L320 PolarHBondContact ND1-N 3.28Å; H317-F323 HydrophobicContact CB-CB 3.68Å; H317-F323 HydrophobicContact CB-CD1 4.49Å; H317-F323 HydrophobicContact CB-CD2 4.26Å; H317-F323 HydrophobicContact CB-CG 3.91Å; H317-E401 PolarHBondContact CD2-O 2.93Å; H317-E401 VanDerWaalsContact CD2-O 3.28Å; H317-E401 IonicContact CE1-OE2 2.84Å; H317-E401 PolarHBondContact CE1-OE2 2.95Å; H317-E401 PolarHBondContact NE2-O 3.34Å; H317-E401 IonicContact NE2-OE2 2.82Å; H317-E401 PolarHBondContact NE2-OE2 3.34Å; H317-V404 VanDerWaalsContact NE2-CG1 3.34Å; H317-V404 WeakPolarHBondContact NE2-CG1 3.37Å; H317-A405 HydrophobicContact CB-CB 4.37Å
318	P	97	Very high	94.9	Very high	67 Å²	67	56.9 Å²	56.9	44%	0.435	32%	0.324	S	S	.	.	S	Bend	trans	-64.5	-13.9	-173.3	25.1	-35.2	0	0	0	114.9	V404 H408	P318-V404 HydrophobicContact CG-CG1 3.94Å; P318-H408 HydrophobicContact CG-CB 4.35Å
319	T	96.6	Very high	95.6	Very high	106 Å²	106	54.3 Å²	54.3	65%	0.65	31%	0.308	S	S	*	.	S	Bend	trans	-136.3	-4.5	-176	56.8	0	0	0	0	114.4	H317	H317-T319 PolarHBondContact CE1-OG1 3.37Å; H317-T319 PolarHBondContact ND1-OG1 2.9Å; H317-T319 VanDerWaalsContact ND1-OG1 3.09Å; H317-T319 PolarHBondContact O-N 3.05Å
320	L	96.5	Very high	96.3	Very high	34 Å²	34	52.9 Å²	52.9	18%	0.178	30%	0.301	C	S	.	.			trans	-123.4	82.6	-176.3	-61.7	170.7	0	0	0	108.6	H317 W322 F323 M383 E401	H317-L320 HydrophobicContact CB-CB 3.9Å; H317-L320 WeakPolarHBondContact ND1-CG 3.48Å; H317-L320 PolarHBondContact ND1-N 3.28Å; L320-W322 HydrophobicContact CB-CZ2 4.11Å; L320-W322 HydrophobicContact CD1-CH2 4.36Å; L320-W322 HydrophobicContact CD1-CZ2 3.85Å; L320-W322 HydrophobicContact CD2-CZ2 4.2Å; L320-W322 HydrophobicContact CG-CZ2 4.28Å; L320-W322 PolarHBondContact O-N 3.32Å; L320-W322 VanDerWaalsContact O-N 3.11Å; L320-F323 HydrophobicContact CB-CB 4.48Å; L320-F323 WeakPolarHBondContact O-CB 3.32Å; L320-F323 PolarHBondContact O-N 2.81Å; L320-M383 HydrophobicContact CD1-CG 4.37Å; L320-E401 HydrophobicContact CD1-CB 4.33Å; L320-E401 HydrophobicContact CD1-CG 4.28Å
321	E	93.4	Very high	96.5	Very high	187 Å²	187	52.2 Å²	52.2	87%	0.874	30%	0.296	S	S	*	.	G	3₁₀ helix	trans	-54.5	-34	-172.6	-60.8	-176.1	162.4	0	0	113.2	F323	E321-F323 PolarHBondContact O-N 3.34Å
322	W	96.3	Very high	96.6	Very high	73 Å²	73	49.2 Å²	49.2	28%	0.277	28%	0.281	S	S	.	.	G	3₁₀ helix	trans	-64.9	-18	177.4	58.5	-107.6	0	0	0	113.9	L320 A324 A325 L326 V379 C382 M383	L320-W322 HydrophobicContact CB-CZ2 4.11Å; L320-W322 HydrophobicContact CD1-CH2 4.36Å; L320-W322 HydrophobicContact CD1-CZ2 3.85Å; L320-W322 HydrophobicContact CD2-CZ2 4.2Å; L320-W322 HydrophobicContact CG-CZ2 4.28Å; L320-W322 PolarHBondContact O-N 3.32Å; L320-W322 VanDerWaalsContact O-N 3.11Å; W322-A324 VanDerWaalsContact C-N 3.27Å; W322-A324 PolarHBondContact O-N 2.67Å; W322-A325 VanDerWaalsContact O-CB 3.27Å; W322-A325 WeakPolarHBondContact O-CB 3.5Å; W322-A325 PolarHBondContact O-N 2.99Å; W322-L326 HydrophobicContact CZ3-CD1 4.06Å; W322-L326 HydrophobicContact CZ3-CG 4.5Å; W322-V379 HydrophobicContact CH2-CG1 4.17Å; W322-C382 HydrophobicContact CD2-CB 3.73Å; W322-C382 HydrophobicContact CE3-CB 3.47Å; W322-C382 VanDerWaalsContact CE3-CB 3.47Å; W322-C382 HydrophobicContact CH2-CB 3.42Å; W322-C382 VanDerWaalsContact CH2-CB 3.42Å; W322-C382 HydrophobicContact CZ2-CB 3.61Å; W322-C382 WeakPolarHBondContact CZ2-O 3.47Å; W322-C382 HydrophobicContact CZ3-CB 3.34Å; W322-C382 PolarHBondContact NE1-O 3.01Å; W322-M383 HydrophobicContact CH2-CG 3.94Å; W322-M383 HydrophobicContact CZ2-CG 3.65Å
323	F	97.8	Very high	96.6	Very high	1 Å²	1	46.9 Å²	46.9	0%	0.004	27%	0.27	C	S	.	.	G	3₁₀ helix	trans	-61.7	-36.7	-175.7	-162.9	-79.1	0	0	0	111.8	L315 H317 L320 E321 A325 L326 L328 V379 I402 A405	L315-F323 HydrophobicContact CB-CE1 4.12Å; H317-F323 HydrophobicContact CB-CB 3.68Å; H317-F323 HydrophobicContact CB-CD1 4.49Å; H317-F323 HydrophobicContact CB-CD2 4.26Å; H317-F323 HydrophobicContact CB-CG 3.91Å; L320-F323 HydrophobicContact CB-CB 4.48Å; L320-F323 WeakPolarHBondContact O-CB 3.32Å; L320-F323 PolarHBondContact O-N 2.81Å; E321-F323 PolarHBondContact O-N 3.34Å; F323-A325 PolarHBondContact O-N 3.22Å; F323-L326 HydrophobicContact CD2-CD1 4.42Å; F323-L326 HydrophobicContact CE2-CD1 4.48Å; F323-L326 WeakPolarHBondContact O-CB 3.28Å; F323-L326 PolarHBondContact O-N 3.47Å; F323-L326 VanDerWaalsContact O-N 3.14Å; F323-L328 HydrophobicContact CE1-CD1 3.91Å; F323-L328 HydrophobicContact CZ-CD1 4.04Å; F323-V379 HydrophobicContact CE2-CG1 4.47Å; F323-V379 HydrophobicContact CE2-CG2 4.08Å; F323-I402 HydrophobicContact CE2-CG1 4.12Å; F323-I402 HydrophobicContact CZ-CG1 4.21Å; F323-A405 HydrophobicContact CD1-CB 3.95Å; F323-A405 HydrophobicContact CE1-CB 3.44Å; F323-A405 VanDerWaalsContact CE1-CB 3.44Å; F323-A405 HydrophobicContact CE2-CB 4.1Å; F323-A405 HydrophobicContact CG-CB 4.48Å; F323-A405 HydrophobicContact CZ-CB 3.53Å
324	A	95.4	Very high	96.4	Very high	53 Å²	53	47.6 Å²	47.6	44%	0.438	28%	0.275	S	S	.	.	G	3₁₀ helix	trans	-62.3	-29.3	175	0	0	0	0	0	112.7	E316 W322 L326 G327	E316-A324 HydrophobicContact CB-CB 4.15Å; W322-A324 VanDerWaalsContact C-N 3.27Å; W322-A324 PolarHBondContact O-N 2.67Å; A324-L326 PolarHBondContact O-N 2.97Å; A324-G327 PolarHBondContact O-N 3.43Å; A324-G327 VanDerWaalsContact O-N 3.1Å
325	A	95.5	Very high	96.2	Very high	91 Å²	91	43.7 Å²	43.7	75%	0.752	25%	0.25	S	C	*	.	G	3₁₀ helix	trans	-70.6	-14.8	178.1	0	0	0	0	0	113.4	W322 F323 G327	W322-A325 VanDerWaalsContact O-CB 3.27Å; W322-A325 WeakPolarHBondContact O-CB 3.5Å; W322-A325 PolarHBondContact O-N 2.99Å; F323-A325 PolarHBondContact O-N 3.22Å; A325-G327 PolarHBondContact O-N 2.91Å
326	L	95	Very high	96.1	Very high	46 Å²	46	45.7 Å²	45.7	24%	0.241	26%	0.262	C	S	.	.	G	3₁₀ helix	trans	-68.1	-12.2	169.6	-59.3	-177.8	0	0	0	112.9	W322 F323 A324 L328 V379	W322-L326 HydrophobicContact CZ3-CD1 4.06Å; W322-L326 HydrophobicContact CZ3-CG 4.5Å; F323-L326 HydrophobicContact CD2-CD1 4.42Å; F323-L326 HydrophobicContact CE2-CD1 4.48Å; F323-L326 WeakPolarHBondContact O-CB 3.28Å; F323-L326 PolarHBondContact O-N 3.47Å; F323-L326 VanDerWaalsContact O-N 3.14Å; A324-L326 PolarHBondContact O-N 2.97Å; L326-L328 HydrophobicContact CB-CD1 4Å; L326-L328 HydrophobicContact CB-CG 3.8Å; L326-L328 HydrophobicContact CD1-CD1 3.92Å; L326-L328 PolarHBondContact O-N 2.98Å; L326-V379 HydrophobicContact CD1-CG2 3.82Å
327	G	95.1	Very high	95.9	Very high	40 Å²	40	42 Å²	42	41%	0.412	24%	0.244	S	C	.	.			trans	65.8	18	176.2	0	0	0	0	0	114.6	F286 A324 A325	F286-G327 WeakPolarHBondContact CE2-O 3.31Å; A324-G327 PolarHBondContact O-N 3.43Å; A324-G327 VanDerWaalsContact O-N 3.1Å; A325-G327 PolarHBondContact O-N 2.91Å
328	L	97	Very high	95.4	Very high	4 Å²	4	43 Å²	43	2%	0.021	25%	0.25	C	S	.	.			trans	-68.8	147.8	-177.6	-61	174.2	0	0	0	111.3	F286 L315 F323 L326 I375	F286-L328 HydrophobicContact CE2-CD2 4.41Å; F286-L328 HydrophobicContact CZ-CD2 3.9Å; L315-L328 HydrophobicContact CB-CB 4.07Å; L315-L328 HydrophobicContact CD1-CB 4.18Å; L315-L328 HydrophobicContact CG-CB 4.41Å; L315-L328 PolarHBondContact N-O 3.24Å; F323-L328 HydrophobicContact CE1-CD1 3.91Å; F323-L328 HydrophobicContact CZ-CD1 4.04Å; L326-L328 HydrophobicContact CB-CD1 4Å; L326-L328 HydrophobicContact CB-CG 3.8Å; L326-L328 HydrophobicContact CD1-CD1 3.92Å; L326-L328 PolarHBondContact O-N 2.98Å; L328-I375 HydrophobicContact CD1-CD1 3.52Å; L328-I375 HydrophobicContact CD2-CG2 4.46Å
329	R	97.1	Very high	95.1	Very high	95 Å²	95	41.5 Å²	41.5	36%	0.358	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.4	161.8	175.7	62.3	-176.8	72.3	-166.5	-2.7	111.1	F286 E312 V313	F286-R329 HydrophobicContact CB-CG 3.8Å; F286-R329 HydrophobicContact CD1-CG 3.84Å; F286-R329 HydrophobicContact CD2-CG 3.73Å; F286-R329 HydrophobicContact CE1-CG 4.33Å; F286-R329 WeakPolarHBondContact CE1-O 3.21Å; F286-R329 HydrophobicContact CE2-CG 4.24Å; F286-R329 HydrophobicContact CG-CG 3.51Å; E312-R329 VanDerWaalsContact CD-CD 3.41Å; E312-R329 WeakPolarHBondContact OE1-CD 3.07Å; E312-R329 VanDerWaalsContact OE2-CD 3.25Å; E312-R329 WeakPolarHBondContact OE2-CD 3.33Å; E312-R329 IonicContact OE2-CZ 3.47Å; E312-R329 IonicContact OE2-NE 2.79Å; E312-R329 IonicContact OE2-NH1 2.81Å; E312-R329 PolarHBondContact OE2-NH1 3Å; V313-R329 CarbonylContact O-C 3.59Å; V313-R329 WeakPolarHBondContact O-CA 3.36Å; V313-R329 WeakPolarHBondContact O-CB 3.25Å
330	W	97.6	Very high	94.8	Very high	0 Å²	0	37 Å²	37	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	142.3	169.6	-154.3	-99.1	0	0	0	112.6	Y251 V313 Y357 I362 N366 Y373 Y410	Y251-W330 HydrophobicContact CD2-CE3 4.19Å; Y251-W330 HydrophobicContact CD2-CH2 4.31Å; Y251-W330 AromaticContact CD2-CZ3 3.94Å; Y251-W330 HydrophobicContact CD2-CZ3 3.94Å; Y251-W330 HydrophobicContact CE2-CD2 4.18Å; Y251-W330 AromaticContact CE2-CE3 3.79Å; Y251-W330 HydrophobicContact CE2-CE3 3.79Å; Y251-W330 HydrophobicContact CE2-CZ3 4.03Å; Y251-W330 WeakPolarHBondContact OH-CA 3.44Å; V313-W330 PolarHBondContact N-O 2.81Å; V313-W330 PolarHBondContact O-N 2.67Å; W330-Y357 AromaticContact CD1-CE2 3.83Å; W330-Y357 AromaticContact CD1-CZ 3.82Å; W330-Y357 AromaticContact NE1-CE1 3.92Å; W330-Y357 AromaticContact NE1-CE2 3.8Å; W330-Y357 AromaticContact NE1-CZ 3.29Å; W330-Y357 VanDerWaalsContact NE1-CZ 3.29Å; W330-Y357 PolarHBondContact NE1-OH 2.83Å; W330-I362 HydrophobicContact CB-CD1 4.48Å; W330-I362 HydrophobicContact CB-CG2 3.92Å; W330-I362 HydrophobicContact CD2-CG2 4.02Å; W330-I362 HydrophobicContact CG-CD1 4.22Å; W330-I362 HydrophobicContact CG-CG1 4.25Å; W330-I362 HydrophobicContact CG-CG2 3.7Å; W330-N366 HydrophobicContact CH2-CB 3.56Å; W330-N366 HydrophobicContact CZ2-CB 3.8Å; W330-N366 WeakPolarHBondContact CZ2-OD1 3.44Å; W330-N366 HydrophobicContact CZ3-CB 4.04Å; W330-Y373 HydrophobicContact CH2-CE2 4.17Å; W330-Y373 HydrophobicContact CZ3-CD2 4.44Å; W330-Y373 AromaticContact CZ3-CE2 3.83Å; W330-Y373 HydrophobicContact CZ3-CE2 3.83Å; W330-Y410 PolarHBondContact O-OH 3.19Å
331	Y	96.7	Very high	94.8	Very high	3 Å²	3	35.3 Å²	35.3	1%	0.012	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72	138.7	176.4	56.2	-84.3	0	0	0	111.4	Q247 V249 Y251 L311 L333 Y357 Y410	Q247-Y331 PolarHBondContact OE1-OH 3.38Å; V249-Y331 HydrophobicContact CB-CD2 3.68Å; V249-Y331 HydrophobicContact CB-CE2 4.03Å; V249-Y331 HydrophobicContact CB-CG 4.1Å; V249-Y331 HydrophobicContact CG1-CD1 3.97Å; V249-Y331 HydrophobicContact CG1-CD2 3.61Å; V249-Y331 HydrophobicContact CG1-CE2 4.24Å; V249-Y331 HydrophobicContact CG1-CG 3.46Å; V249-Y331 VanDerWaalsContact CG1-CG 3.46Å; V249-Y331 VanDerWaalsContact O-CE2 3.27Å; V249-Y331 WeakPolarHBondContact O-CE2 3.44Å; V249-Y331 VanDerWaalsContact O-CZ 3.27Å; V249-Y331 PolarHBondContact O-OH 3.19Å; Y251-Y331 HydrophobicContact CD2-CD1 4.1Å; Y251-Y331 HydrophobicContact CD2-CE1 4.04Å; Y251-Y331 HydrophobicContact CE1-CD1 4.38Å; Y251-Y331 AromaticContact CE2-CD1 3.57Å; Y251-Y331 HydrophobicContact CE2-CD1 3.57Å; Y251-Y331 AromaticContact CE2-CE1 3.91Å; Y251-Y331 HydrophobicContact CE2-CE1 3.91Å; Y251-Y331 AromaticContact CZ-CD1 3.74Å; Y251-Y331 PolarHBondContact OH-N 3.45Å; L311-Y331 WeakPolarHBondContact O-CA 3.41Å; Y331-L333 WeakPolarHBondContact CD2-O 3.47Å; Y331-L333 PolarHBondContact O-N 2.88Å; Y331-Y357 WeakPolarHBondContact CE2-OH 3.44Å; Y331-Y357 WeakPolarHBondContact O-CE2 3.28Å; Y331-Y357 PolarHBondContact OH-OH 3.33Å; Y331-Y410 PolarHBondContact O-OH 2.93Å
332	A	95.6	Very high	94.8	Very high	1 Å²	1	26.7 Å²	26.7	1%	0.008	16%	0.161	C	C	.	.	S	Bend	trans	-65.3	-35.3	-171.1	0	0	0	0	0	114.7	L224 L311 P334 Y357 V415	L224-A332 VanDerWaalsContact CD1-O 3.29Å; L224-A332 WeakPolarHBondContact CD1-O 3.34Å; L224-A332 HydrophobicContact CD2-CB 4.43Å; L311-A332 HydrophobicContact CB-CB 4.1Å; L311-A332 HydrophobicContact CD2-CB 4.02Å; L311-A332 HydrophobicContact CG-CB 4Å; L311-A332 WeakPolarHBondContact O-CB 3.28Å; L311-A332 PolarHBondContact O-N 3.21Å; A332-P334 VanDerWaalsContact O-CD 3.27Å; A332-P334 WeakPolarHBondContact O-CD 3.38Å; A332-Y357 WeakPolarHBondContact O-CD2 3.17Å; A332-V415 HydrophobicContact CB-CG1 3.61Å
333	L	95.5	Very high	94.8	Very high	4 Å²	4	23.2 Å²	23.2	2%	0.021	15%	0.148	C	C	.	.			trans	-103.1	107.4	-164.8	-173.9	71.9	0	0	0	113.3	I215 A218 L224 Y331 A335	I215-L333 HydrophobicContact CB-CD2 4.32Å; I215-L333 HydrophobicContact CG1-CD2 4.37Å; I215-L333 HydrophobicContact CG2-CD2 4.14Å; A218-L333 HydrophobicContact CB-CD1 3.62Å; A218-L333 HydrophobicContact CB-CD2 3.9Å; A218-L333 HydrophobicContact CB-CG 4.42Å; L224-L333 HydrophobicContact CD2-CD1 4.21Å; Y331-L333 WeakPolarHBondContact CD2-O 3.47Å; Y331-L333 PolarHBondContact O-N 2.88Å; L333-A335 HydrophobicContact CD2-CB 4.14Å; L333-A335 HydrophobicContact CG-CB 4.22Å; L333-A335 PolarHBondContact O-N 2.82Å; L333-A335 VanDerWaalsContact O-N 3.15Å
334	P	93.9	Very high	94.6	Very high	17 Å²	17	23.2 Å²	23.2	11%	0.11	15%	0.148	C	C	.	.			trans	-78	94.8	168.6	29.7	-29.4	0	0	0	110.1	A332 S354 G355 Y357	A332-P334 VanDerWaalsContact O-CD 3.27Å; A332-P334 WeakPolarHBondContact O-CD 3.38Å; P334-S354 WeakPolarHBondContact O-CA 3.48Å; P334-G355 WeakPolarHBondContact CD-O 3.22Å; P334-G355 PolarHBondContact O-N 3.15Å; P334-Y357 HydrophobicContact CB-CD1 4.21Å; P334-Y357 HydrophobicContact CB-CD2 4.26Å; P334-Y357 HydrophobicContact CB-CE1 3.81Å; P334-Y357 HydrophobicContact CB-CE2 3.85Å; P334-Y357 HydrophobicContact CB-CG 4.43Å; P334-Y357 HydrophobicContact CG-CD1 4.3Å; P334-Y357 HydrophobicContact CG-CD2 3.86Å; P334-Y357 HydrophobicContact CG-CE1 4.35Å; P334-Y357 HydrophobicContact CG-CE2 3.9Å; P334-Y357 HydrophobicContact CG-CG 4.07Å
335	A	94.6	Very high	94.4	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	94	178	0	0	0	0	0	111	Q247 L248 L333 F353	Q247-A335 CarbonylContact C-O 3.55Å; Q247-A335 WeakPolarHBondContact CA-O 3.32Å; Q247-A335 VanDerWaalsContact CB-O 3.25Å; Q247-A335 WeakPolarHBondContact CB-O 3.42Å; L248-A335 HydrophobicContact CB-CB 3.96Å; L248-A335 HydrophobicContact CD1-CB 3.7Å; L248-A335 HydrophobicContact CG-CB 3.82Å; L248-A335 PolarHBondContact N-O 2.72Å; L333-A335 HydrophobicContact CD2-CB 4.14Å; L333-A335 HydrophobicContact CG-CB 4.22Å; L333-A335 PolarHBondContact O-N 2.82Å; L333-A335 VanDerWaalsContact O-N 3.15Å; A335-F353 CarbonylContact C-O 3.58Å; A335-F353 VanDerWaalsContact CA-O 3.28Å; A335-F353 WeakPolarHBondContact CA-O 3.47Å
336	V	94.8	Very high	94.3	Very high	44 Å²	44	16.8 Å²	16.8	27%	0.267	9%	0.094	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	127.3	-178.9	-179.8	0	0	0	0	110.4	Q247 M339 P352 F353	Q247-V336 HydrophobicContact CG-CG2 4.4Å; V336-M339 HydrophobicContact CG1-CG 3.85Å; V336-M339 HydrophobicContact CG1-SD 4.23Å; V336-P352 CarbonylContact O-C 3.45Å; V336-P352 VanDerWaalsContact O-CA 3.28Å; V336-P352 WeakPolarHBondContact O-CA 3.09Å; V336-F353 PolarHBondContact N-O 2.8Å; V336-F353 PolarHBondContact O-N 3.31Å
337	S	94.5	Very high	94.2	Very high	1 Å²	1	16.2 Å²	16.2	1%	0.007	9%	0.09	C	C	.	.			trans	-124.7	-11.5	-169	48.6	0	0	0	0	115.8	N245 S246 Q247 L248	N245-S337 PolarHBondContact O-OG 2.94Å; S246-S337 PolarHBondContact O-N 3.42Å; S246-S337 PolarHBondContact O-OG 3.27Å; Q247-S337 WeakPolarHBondContact CA-OG 3.27Å; Q247-S337 PolarHBondContact N-OG 3.05Å; L248-S337 PolarHBondContact N-OG 3.43Å
338	N	87.6	Confident	94.2	Very high	36 Å²	36	14.3 Å²	14.3	19%	0.193	7%	0.071	C	C	.	.	S	Bend	trans	-97.3	4.1	-179.6	70.8	-18.5	0	0	0	114.9	S246 Q476	S246-N338 PolarHBondContact O-OD1 3.28Å; N338-Q476 WeakPolarHBondContact O-CG 3.49Å; N338-Q476 PolarHBondContact O-NE2 3.31Å
339	M	90.1	Very high	94	Very high	36 Å²	36	14.1 Å²	14.1	18%	0.177	7%	0.07	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	142.5	174.2	-64.4	-166.1	81.8	0	0	111.8	V336 F473 Y475	V336-M339 HydrophobicContact CG1-CG 3.85Å; V336-M339 HydrophobicContact CG1-SD 4.23Å; M339-F473 HydrophobicContact CB-CD1 4.49Å; M339-F473 HydrophobicContact CE-CB 3.73Å; M339-F473 HydrophobicContact SD-CB 4.29Å; M339-Y475 HydrophobicContact CE-CD1 4.05Å; M339-Y475 HydrophobicContact CE-CD2 4.26Å; M339-Y475 HydrophobicContact CE-CE1 3.92Å; M339-Y475 HydrophobicContact CE-CE2 4.14Å; M339-Y475 HydrophobicContact CE-CG 4.23Å; M339-Y475 HydrophobicContact CG-CD1 4.31Å; M339-Y475 HydrophobicContact CG-CE1 4.4Å; M339-Y475 HydrophobicContact SD-CE1 4.22Å
340	L	91.6	Very high	93.9	Very high	10 Å²	10	9.6 Å²	9.6	5%	0.052	5%	0.053	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	126.5	170.4	164.6	63.2	0	0	0	108.5	E347 P349 F473 R474 Q476	L340-E347 HydrophobicContact CD1-CB 3.84Å; L340-E347 HydrophobicContact CD1-CG 4.26Å; L340-E347 HydrophobicContact CD2-CG 4.36Å; L340-E347 WeakPolarHBondContact CD2-OE1 3.45Å; L340-P349 HydrophobicContact CD1-CG 4.49Å; L340-F473 CarbonylContact O-C 3.58Å; L340-F473 WeakPolarHBondContact O-CA 3.42Å; L340-R474 HydrophobicContact CB-CB 4.45Å; L340-R474 HydrophobicContact CD2-CB 4.43Å; L340-R474 PolarHBondContact N-O 2.88Å; L340-R474 PolarHBondContact O-N 2.98Å; L340-Q476 HydrophobicContact CB-CB 4.29Å; L340-Q476 HydrophobicContact CB-CG 4.18Å
341	L	95.7	Very high	93.9	Very high	0 Å²	0	9.8 Å²	9.8	0%	0	5%	0.054	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	135	168.3	169.1	65.3	0	0	0	109.1	A174 A177 I228 V230 I343 F348 A351 F473	A174-L341 HydrophobicContact CB-CD2 4.4Å; A177-L341 HydrophobicContact CB-CD1 3.48Å; A177-L341 VanDerWaalsContact CB-CD1 3.48Å; I228-L341 HydrophobicContact CD1-CD2 3.98Å; V230-L341 HydrophobicContact CG1-CD2 4.13Å; V230-L341 HydrophobicContact CG2-CD2 3.78Å; L341-I343 HydrophobicContact CD1-CD1 4.25Å; L341-I343 HydrophobicContact CD1-CG1 4.02Å; L341-I343 HydrophobicContact CD2-CD1 3.99Å; L341-I343 HydrophobicContact CG-CD1 4.12Å; L341-I343 HydrophobicContact CG-CG1 4.15Å; L341-F348 HydrophobicContact CB-CB 4.14Å; L341-F348 HydrophobicContact CG-CB 4.49Å; L341-F348 HydrophobicContact CG-CD2 4.34Å; L341-F348 PolarHBondContact N-O 3.41Å; L341-F348 PolarHBondContact O-N 3.29Å; L341-A351 HydrophobicContact CB-CB 3.55Å; L341-A351 HydrophobicContact CD2-CB 3.97Å; L341-A351 HydrophobicContact CG-CB 4.44Å; L341-F473 HydrophobicContact CB-CD1 4.24Å; L341-F473 HydrophobicContact CB-CE1 4.15Å; L341-F473 HydrophobicContact CD1-CD1 4.29Å; L341-F473 HydrophobicContact CD1-CE1 3.98Å; L341-F473 HydrophobicContact CD1-CZ 4.28Å
342	E	93.9	Very high	93.9	Very high	6 Å²	6	9.6 Å²	9.6	3%	0.028	5%	0.053	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	128.6	176.2	175.8	-89.9	124.8	0	0	110.1	G344 G345 L346 S470 P471 A472 R474	E342-G344 PolarHBondContact OE1-N 3.49Å; E342-G345 PolarHBondContact OE1-N 2.82Å; E342-L346 WeakPolarHBondContact CA-O 3.27Å; E342-S470 PolarHBondContact OE1-OG 3.37Å; E342-S470 WeakPolarHBondContact OE2-CB 3.49Å; E342-S470 PolarHBondContact OE2-OG 2.81Å; E342-P471 CarbonylContact O-C 3.56Å; E342-P471 VanDerWaalsContact O-CA 3.27Å; E342-P471 WeakPolarHBondContact O-CA 3.31Å; E342-P471 WeakPolarHBondContact O-CB 3.48Å; E342-A472 PolarHBondContact N-O 2.97Å; E342-A472 PolarHBondContact O-N 3.33Å; E342-R474 IonicContact OE2-CZ 3.12Å; E342-R474 IonicContact OE2-NE 2.76Å; E342-R474 PolarHBondContact OE2-NE 2.57Å; E342-R474 IonicContact OE2-NH2 2.6Å; E342-R474 PolarHBondContact OE2-NH2 3.06Å
343	I	96.3	Very high	94	Very high	0 Å²	0	11.1 Å²	11.1	0%	0	6%	0.06	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	114.1	-180	-58	167.3	0	0	0	108.2	F130 L165 L170 L341 G345 L346 F348 P471	F130-I343 HydrophobicContact CD1-CG2 4.12Å; F130-I343 HydrophobicContact CD2-CG2 3.89Å; F130-I343 HydrophobicContact CE1-CG2 3.73Å; F130-I343 HydrophobicContact CE2-CG2 3.49Å; F130-I343 VanDerWaalsContact CE2-CG2 3.49Å; F130-I343 HydrophobicContact CG-CG2 4.19Å; F130-I343 HydrophobicContact CZ-CG2 3.39Å; L165-I343 HydrophobicContact CD1-CB 4.06Å; L165-I343 HydrophobicContact CD1-CD1 4.11Å; L165-I343 HydrophobicContact CD1-CG2 3.77Å; L165-I343 HydrophobicContact CD2-CG2 4.38Å; L170-I343 HydrophobicContact CD1-CD1 3.99Å; L341-I343 HydrophobicContact CD1-CD1 4.25Å; L341-I343 HydrophobicContact CD1-CG1 4.02Å; L341-I343 HydrophobicContact CD2-CD1 3.99Å; L341-I343 HydrophobicContact CG-CD1 4.12Å; L341-I343 HydrophobicContact CG-CG1 4.15Å; I343-G345 PolarHBondContact O-N 3.32Å; I343-L346 PolarHBondContact N-O 2.92Å; I343-L346 WeakPolarHBondContact O-CB 3.5Å; I343-L346 PolarHBondContact O-N 3.19Å; I343-F348 HydrophobicContact CB-CE2 4.19Å; I343-F348 HydrophobicContact CD1-CD2 4.49Å; I343-F348 HydrophobicContact CD1-CE2 4.15Å; I343-F348 HydrophobicContact CG1-CE2 4.39Å; I343-P471 HydrophobicContact CG1-CB 4.15Å; I343-P471 HydrophobicContact CG2-CG 4.23Å
344	G	92.9	Very high	93.9	Very high	0 Å²	0	11 Å²	11	0%	0	6%	0.059	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.7	29	174.7	0	0	0	0	0	114.2	Q126 A127 Y163 E342 L346	Q126-G344 CarbonylContact C-O 3.53Å; Q126-G344 WeakPolarHBondContact O-CA 3.29Å; A127-G344 PolarHBondContact N-O 3.23Å; Y163-G344 PolarHBondContact OH-O 3.45Å; E342-G344 PolarHBondContact OE1-N 3.49Å; G344-L346 VanDerWaalsContact C-N 3.28Å; G344-L346 PolarHBondContact O-N 3.13Å
345	G	90.5	Very high	93.7	Very high	4 Å²	4	10.7 Å²	10.7	4%	0.041	6%	0.059	C	C	.	.	T	Hydrogen-bonded Turn	trans	83	-4.8	-174.5	0	0	0	0	0	115	E342 I343	E342-G345 PolarHBondContact OE1-N 2.82Å; I343-G345 PolarHBondContact O-N 3.32Å
346	L	93.7	Very high	93.5	Very high	6 Å²	6	14.2 Å²	14.2	3%	0.031	7%	0.073	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	131.9	169.6	-59.1	177.1	0	0	0	110.6	L123 T162 Y163 L165 E342 I343 G344 F348	L123-L346 HydrophobicContact CD1-CD2 4.09Å; T162-L346 WeakPolarHBondContact OG1-CD2 3.49Å; Y163-L346 HydrophobicContact CD1-CD1 4.01Å; Y163-L346 HydrophobicContact CD1-CD2 3.85Å; Y163-L346 HydrophobicContact CD1-CG 4.06Å; Y163-L346 HydrophobicContact CD2-CD1 4.27Å; Y163-L346 HydrophobicContact CE1-CD1 3.64Å; Y163-L346 HydrophobicContact CE1-CD2 3.79Å; Y163-L346 HydrophobicContact CE1-CG 3.53Å; Y163-L346 HydrophobicContact CE2-CD1 3.97Å; Y163-L346 HydrophobicContact CG-CD1 4.3Å; Y163-L346 WeakPolarHBondContact O-CD1 3.45Å; L165-L346 HydrophobicContact CD1-CD1 4.41Å; L165-L346 HydrophobicContact CD2-CD1 4.18Å; L165-L346 HydrophobicContact CG-CD1 3.86Å; E342-L346 WeakPolarHBondContact CA-O 3.27Å; I343-L346 PolarHBondContact N-O 2.92Å; I343-L346 WeakPolarHBondContact O-CB 3.5Å; I343-L346 PolarHBondContact O-N 3.19Å; G344-L346 VanDerWaalsContact C-N 3.28Å; G344-L346 PolarHBondContact O-N 3.13Å; L346-F348 HydrophobicContact CB-CE2 3.78Å; L346-F348 HydrophobicContact CB-CZ 4.07Å
347	E	93.4	Very high	93.5	Very high	33 Å²	33	12.6 Å²	12.6	15%	0.154	6%	0.062	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	128.6	-178.2	-74.3	-172.2	127.9	0	0	111.2	Q233 R234 L340 P349	Q233-E347 CarbonylContact C-O 3.55Å; Q233-E347 VanDerWaalsContact CA-O 3.28Å; Q233-E347 WeakPolarHBondContact CA-O 3.15Å; Q233-E347 WeakPolarHBondContact CB-O 3.23Å; R234-E347 HydrophobicContact CB-CB 4.23Å; R234-E347 IonicContact CZ-OE2 3.33Å; R234-E347 PolarHBondContact N-O 3.24Å; R234-E347 IonicContact NE-OE2 2.84Å; R234-E347 VanDerWaalsContact NH1-CD 3.28Å; R234-E347 IonicContact NH1-OE1 3.75Å; R234-E347 PolarHBondContact NH1-OE1 2.91Å; R234-E347 IonicContact NH1-OE2 3.85Å; R234-E347 PolarHBondContact NH1-OE2 3.41Å; L340-E347 HydrophobicContact CD1-CB 3.84Å; L340-E347 HydrophobicContact CD1-CG 4.26Å; L340-E347 HydrophobicContact CD2-CG 4.36Å; L340-E347 WeakPolarHBondContact CD2-OE1 3.45Å; E347-P349 WeakPolarHBondContact O-CD 3.42Å
348	F	95.1	Very high	93.5	Very high	0 Å²	0	13 Å²	13	0%	0	6%	0.064	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	90.2	179.7	-59.7	-89.1	0	0	0	109.8	L165 L170 R199 V230 Q233 L341 I343 L346 A350	L165-F348 HydrophobicContact CD1-CE2 4.11Å; L165-F348 HydrophobicContact CD1-CZ 3.8Å; L170-F348 HydrophobicContact CD1-CE1 4.4Å; L170-F348 HydrophobicContact CD1-CZ 4.25Å; R199-F348 HydrophobicContact CG-CE1 4.36Å; V230-F348 HydrophobicContact CG1-CB 3.91Å; V230-F348 HydrophobicContact CG1-CD1 3.44Å; V230-F348 VanDerWaalsContact CG1-CD1 3.44Å; V230-F348 HydrophobicContact CG1-CE1 4.11Å; V230-F348 HydrophobicContact CG1-CG 3.73Å; Q233-F348 HydrophobicContact CB-CD1 3.81Å; Q233-F348 HydrophobicContact CB-CE1 3.59Å; Q233-F348 HydrophobicContact CB-CZ 4.1Å; L341-F348 HydrophobicContact CB-CB 4.14Å; L341-F348 HydrophobicContact CG-CB 4.49Å; L341-F348 HydrophobicContact CG-CD2 4.34Å; L341-F348 PolarHBondContact N-O 3.41Å; L341-F348 PolarHBondContact O-N 3.29Å; I343-F348 HydrophobicContact CB-CE2 4.19Å; I343-F348 HydrophobicContact CD1-CD2 4.49Å; I343-F348 HydrophobicContact CD1-CE2 4.15Å; I343-F348 HydrophobicContact CG1-CE2 4.39Å; L346-F348 HydrophobicContact CB-CE2 3.78Å; L346-F348 HydrophobicContact CB-CZ 4.07Å; F348-A350 PolarHBondContact O-N 2.7Å
349	P	93.4	Very high	93.8	Very high	1 Å²	1	11.3 Å²	11.3	1%	0.006	5%	0.054	C	C	.	.	S	Bend	trans	-71.7	-12.4	-167.1	-20	34.1	0	0	0	115.4	R234 D240 L340 E347 Q476	R234-P349 HydrophobicContact CB-CG 4.07Å; D240-P349 HydrophobicContact CB-CB 4.04Å; D240-P349 HydrophobicContact CB-CG 4.05Å; D240-P349 WeakPolarHBondContact OD1-CG 3.46Å; L340-P349 HydrophobicContact CD1-CG 4.49Å; E347-P349 WeakPolarHBondContact O-CD 3.42Å; P349-Q476 PolarHBondContact O-NE2 3.25Å
350	A	95.3	Very high	94.1	Very high	0 Å²	0	9.6 Å²	9.6	0%	0	5%	0.046	C	C	.	.			trans	-128	103.3	169.4	0	0	0	0	0	109.3	M207 F231 F241 I243 F348	M207-A350 HydrophobicContact CE-CB 3.38Å; F231-A350 HydrophobicContact CB-CB 4.12Å; F231-A350 WeakPolarHBondContact CB-O 3.33Å; F231-A350 HydrophobicContact CD2-CB 3.89Å; F231-A350 WeakPolarHBondContact CD2-O 3.49Å; F231-A350 HydrophobicContact CG-CB 4.38Å; F231-A350 PolarHBondContact N-O 3.06Å; F231-A350 VanDerWaalsContact N-O 3.14Å; F241-A350 HydrophobicContact CB-CB 4.35Å; F241-A350 WeakPolarHBondContact O-CB 3.35Å; I243-A350 HydrophobicContact CG1-CB 4.26Å; F348-A350 PolarHBondContact O-N 2.7Å
351	A	97.1	Very high	94.2	Very high	3 Å²	3	10.9 Å²	10.9	3%	0.025	5%	0.052	C	C	.	.			trans	-137	63.3	178.9	0	0	0	0	0	111	I228 T229 L341 F353	I228-A351 HydrophobicContact CD1-CB 4.24Å; T229-A351 CarbonylContact O-C 3.59Å; T229-A351 VanDerWaalsContact O-CA 3.28Å; T229-A351 WeakPolarHBondContact O-CA 3.29Å; L341-A351 HydrophobicContact CB-CB 3.55Å; L341-A351 HydrophobicContact CD2-CB 3.97Å; L341-A351 HydrophobicContact CG-CB 4.44Å; A351-F353 PolarHBondContact O-N 3.49Å
352	P	97.3	Very high	94.3	Very high	0 Å²	0	10.9 Å²	10.9	0%	0	5%	0.052	C	C	.	.			trans	-57.1	126.1	-175.9	23.1	-35.3	0	0	0	112.2	H214 I228 T229 F231 I243 L248 V336	H214-P352 PolarHBondContact CE1-O 2.97Å; I228-P352 VanDerWaalsContact CA-O 3.31Å; I228-P352 WeakPolarHBondContact CA-O 3.37Å; I228-P352 WeakPolarHBondContact CG1-O 3.44Å; T229-P352 PolarHBondContact N-O 3.35Å; T229-P352 WeakPolarHBondContact O-CD 3.47Å; F231-P352 HydrophobicContact CD2-CG 4.48Å; F231-P352 HydrophobicContact CE2-CG 3.95Å; I243-P352 HydrophobicContact CD1-CB 4.02Å; I243-P352 HydrophobicContact CD1-CG 3.72Å; L248-P352 HydrophobicContact CD1-CB 4.07Å; L248-P352 HydrophobicContact CD2-CB 3.96Å; L248-P352 HydrophobicContact CG-CB 4.16Å; V336-P352 CarbonylContact O-C 3.45Å; V336-P352 VanDerWaalsContact O-CA 3.28Å; V336-P352 WeakPolarHBondContact O-CA 3.09Å
353	F	96.4	Very high	94.4	Very high	33 Å²	33	10.6 Å²	10.6	15%	0.145	5%	0.051	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	139	-174.5	164.7	-86.1	0	0	0	110.3	W178 L193 A227 I228 A335 V336 A351 F473	W178-F353 HydrophobicContact CB-CE2 4.49Å; W178-F353 AromaticContact CD1-CZ 3.99Å; W178-F353 AromaticContact CD2-CE2 3.62Å; W178-F353 HydrophobicContact CD2-CE2 3.62Å; W178-F353 AromaticContact CD2-CZ 3.71Å; W178-F353 HydrophobicContact CD2-CZ 3.71Å; W178-F353 AromaticContact CE2-CE2 3.97Å; W178-F353 AromaticContact CE2-CZ 3.53Å; W178-F353 AromaticContact CE3-CE2 3.84Å; W178-F353 HydrophobicContact CE3-CE2 3.84Å; W178-F353 HydrophobicContact CE3-CZ 4.22Å; W178-F353 AromaticContact CG-CE2 3.89Å; W178-F353 HydrophobicContact CG-CE2 3.89Å; W178-F353 HydrophobicContact CG-CZ 4.06Å; W178-F353 HydrophobicContact CH2-CZ 4.45Å; W178-F353 AromaticContact CZ2-CZ 3.95Å; W178-F353 HydrophobicContact CZ2-CZ 3.95Å; W178-F353 HydrophobicContact CZ3-CE2 4.39Å; W178-F353 AromaticContact NE1-CZ 3.68Å; L193-F353 HydrophobicContact CD1-CD2 4.05Å; L193-F353 HydrophobicContact CD1-CE2 3.78Å; L193-F353 HydrophobicContact CD2-CE2 4.41Å; A227-F353 CarbonylContact O-C 3.5Å; A227-F353 WeakPolarHBondContact O-CA 3.46Å; I228-F353 HydrophobicContact CB-CB 4.5Å; I228-F353 HydrophobicContact CB-CD2 4.35Å; I228-F353 HydrophobicContact CD1-CB 4.34Å; I228-F353 HydrophobicContact CG1-CB 4.24Å; A335-F353 CarbonylContact C-O 3.58Å; A335-F353 VanDerWaalsContact CA-O 3.28Å; A335-F353 WeakPolarHBondContact CA-O 3.47Å; V336-F353 PolarHBondContact N-O 2.8Å; V336-F353 PolarHBondContact O-N 3.31Å; A351-F353 PolarHBondContact O-N 3.49Å; F353-F473 HydrophobicContact CD2-CZ 4.32Å
354	S	94.1	Very high	94.4	Very high	0 Å²	0	11.3 Å²	11.3	0%	0	6%	0.055	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	156.2	178.9	56.3	0	0	0	0	114.4	H214 A218 S226 A227 P334	H214-S354 VanDerWaalsContact NE2-CB 3.35Å; H214-S354 WeakPolarHBondContact NE2-CB 3.48Å; H214-S354 PolarHBondContact NE2-OG 2.78Å; A218-S354 WeakPolarHBondContact CB-OG 3.3Å; S226-S354 VanDerWaalsContact CA-O 3.31Å; S226-S354 WeakPolarHBondContact CA-O 3.44Å; A227-S354 PolarHBondContact N-O 3.43Å; A227-S354 PolarHBondContact O-N 3.25Å; A227-S354 PolarHBondContact O-OG 2.68Å; P334-S354 WeakPolarHBondContact O-CA 3.48Å
355	G	90.4	Very high	94.3	Very high	11 Å²	11	12.7 Å²	12.7	11%	0.113	6%	0.06	C	C	.	.			trans	-150.4	-140.3	171.5	0	0	0	0	0	110.1	P334	P334-G355 WeakPolarHBondContact CD-O 3.22Å; P334-G355 PolarHBondContact O-N 3.15Å
356	W	90.6	Very high	94.6	Very high	75 Å²	75	13.1 Å²	13.1	28%	0.284	6%	0.061	S	C	.	.			trans	-125.2	163	173.2	55.8	91.6	0	0	0	111	Q189 L224 S226 T416	Q189-W356 HydrophobicContact CB-CH2 4.22Å; Q189-W356 HydrophobicContact CG-CH2 3.91Å; Q189-W356 HydrophobicContact CG-CZ2 4.45Å; L224-W356 HydrophobicContact CB-CB 4.24Å; L224-W356 HydrophobicContact CD1-CB 3.69Å; S226-W356 WeakPolarHBondContact OG-CZ3 3.48Å; W356-T416 HydrophobicContact CB-CG2 3.96Å; W356-T416 HydrophobicContact CD2-CG2 4.31Å; W356-T416 HydrophobicContact CG-CG2 3.92Å
357	Y	93.9	Very high	94.7	Very high	9 Å²	9	12.8 Å²	12.8	4%	0.035	6%	0.06	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	143.6	178.9	-77.7	-75.7	0	0	0	112.5	W330 Y331 A332 P334 E361 I362 I417 V418	W330-Y357 AromaticContact CD1-CE2 3.83Å; W330-Y357 AromaticContact CD1-CZ 3.82Å; W330-Y357 AromaticContact NE1-CE1 3.92Å; W330-Y357 AromaticContact NE1-CE2 3.8Å; W330-Y357 AromaticContact NE1-CZ 3.29Å; W330-Y357 VanDerWaalsContact NE1-CZ 3.29Å; W330-Y357 PolarHBondContact NE1-OH 2.83Å; Y331-Y357 WeakPolarHBondContact CE2-OH 3.44Å; Y331-Y357 WeakPolarHBondContact O-CE2 3.28Å; Y331-Y357 PolarHBondContact OH-OH 3.33Å; A332-Y357 WeakPolarHBondContact O-CD2 3.17Å; P334-Y357 HydrophobicContact CB-CD1 4.21Å; P334-Y357 HydrophobicContact CB-CD2 4.26Å; P334-Y357 HydrophobicContact CB-CE1 3.81Å; P334-Y357 HydrophobicContact CB-CE2 3.85Å; P334-Y357 HydrophobicContact CB-CG 4.43Å; P334-Y357 HydrophobicContact CG-CD1 4.3Å; P334-Y357 HydrophobicContact CG-CD2 3.86Å; P334-Y357 HydrophobicContact CG-CE1 4.35Å; P334-Y357 HydrophobicContact CG-CE2 3.9Å; P334-Y357 HydrophobicContact CG-CG 4.07Å; Y357-E361 HydrophobicContact CD1-CB 3.99Å; Y357-I362 HydrophobicContact CD1-CD1 4.17Å; Y357-I362 HydrophobicContact CD1-CG1 3.7Å; Y357-I362 HydrophobicContact CD2-CD1 3.78Å; Y357-I362 HydrophobicContact CD2-CG1 4.19Å; Y357-I362 HydrophobicContact CE1-CG1 4.04Å; Y357-I362 HydrophobicContact CE2-CD1 4.31Å; Y357-I362 HydrophobicContact CG-CD1 3.7Å; Y357-I362 HydrophobicContact CG-CG1 3.76Å; Y357-I417 WeakPolarHBondContact O-CG1 3.31Å; Y357-V418 PolarHBondContact O-N 2.92Å
358	M	93.8	Very high	94.8	Very high	10 Å²	10	11.4 Å²	11.4	5%	0.049	5%	0.054	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84	136.3	149.5	176.5	175	58.2	0	0	107.6	V185 T360 E361 V418 H420 A423	V185-M358 HydrophobicContact CG1-CE 4.32Å; V185-M358 HydrophobicContact CG1-SD 4.39Å; M358-T360 WeakPolarHBondContact CE-OG1 3.5Å; M358-T360 PolarHBondContact O-N 3.49Å; M358-T360 VanDerWaalsContact O-N 3.11Å; M358-E361 HydrophobicContact CB-CG 4.29Å; M358-E361 HydrophobicContact CE-CG 4.44Å; M358-E361 VanDerWaalsContact CE-OE1 3.25Å; M358-E361 WeakPolarHBondContact CE-OE1 3.12Å; M358-E361 WeakPolarHBondContact O-CB 3.31Å; M358-E361 PolarHBondContact O-N 3.43Å; M358-V418 CarbonylContact C-O 3.58Å; M358-V418 VanDerWaalsContact CA-O 3.27Å; M358-V418 WeakPolarHBondContact CA-O 3.36Å; M358-V418 HydrophobicContact CB-CG1 4.14Å; M358-H420 HydrophobicContact CG-CB 4.19Å; M358-H420 HydrophobicContact SD-CB 3.76Å; M358-A423 HydrophobicContact CG-CB 4.3Å; M358-A423 HydrophobicContact SD-CB 3.83Å
359	S	95.1	Very high	94.7	Very high	0 Å²	0	13.6 Å²	13.6	0%	0	7%	0.065	C	C	.	.	H	α-helix	trans	-55.4	-35.8	-171.1	58.8	0	0	0	0	114	E361 I362 G363 N403 V418	S359-E361 VanDerWaalsContact C-N 3.26Å; S359-E361 PolarHBondContact O-N 3.04Å; S359-I362 PolarHBondContact O-N 2.85Å; S359-I362 VanDerWaalsContact O-N 3.08Å; S359-G363 PolarHBondContact O-N 3.21Å; S359-N403 PolarHBondContact O-OD1 2.9Å; S359-V418 PolarHBondContact N-O 3.34Å
360	T	95.4	Very high	94.6	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-69.5	-18.5	-179.5	58.5	0	0	0	0	114.1	M358 T364 R365 N403 H420 I452	M358-T360 WeakPolarHBondContact CE-OG1 3.5Å; M358-T360 PolarHBondContact O-N 3.49Å; M358-T360 VanDerWaalsContact O-N 3.11Å; T360-T364 WeakPolarHBondContact O-CA 3.25Å; T360-T364 WeakPolarHBondContact O-CB 3.06Å; T360-T364 PolarHBondContact O-N 3.04Å; T360-T364 PolarHBondContact O-OG1 2.99Å; T360-R365 PolarHBondContact O-N 2.97Å; T360-N403 VanDerWaalsContact CA-OD1 3.29Å; T360-N403 WeakPolarHBondContact CA-OD1 3.49Å; T360-N403 PolarHBondContact N-OD1 3.37Å; T360-H420 HydrophobicContact CG2-CB 3.87Å; T360-H420 WeakPolarHBondContact CG2-ND1 3.43Å; T360-I452 HydrophobicContact CG2-CG2 3.41Å; T360-I452 VanDerWaalsContact CG2-CG2 3.41Å
361	E	94.6	Very high	94.3	Very high	38 Å²	38	24.1 Å²	24.1	18%	0.178	12%	0.123	C	C	.	.	I	π-helix	trans	-65.6	-48.2	167.4	-57.6	-56.5	135.6	0	0	110.1	Y357 M358 S359 R365 N366	Y357-E361 HydrophobicContact CD1-CB 3.99Å; M358-E361 HydrophobicContact CB-CG 4.29Å; M358-E361 HydrophobicContact CE-CG 4.44Å; M358-E361 VanDerWaalsContact CE-OE1 3.25Å; M358-E361 WeakPolarHBondContact CE-OE1 3.12Å; M358-E361 WeakPolarHBondContact O-CB 3.31Å; M358-E361 PolarHBondContact O-N 3.43Å; S359-E361 VanDerWaalsContact C-N 3.26Å; S359-E361 PolarHBondContact O-N 3.04Å; E361-R365 CarbonylContact O-C 3.55Å; E361-R365 PolarHBondContact O-N 3.34Å; E361-R365 IonicContact OE1-CZ 3.5Å; E361-R365 IonicContact OE1-NE 3.59Å; E361-R365 IonicContact OE1-NH1 2.73Å; E361-R365 PolarHBondContact OE1-NH1 3.43Å; E361-R365 WeakPolarHBondContact OE2-CD 3.22Å; E361-R365 IonicContact OE2-CZ 3.45Å; E361-R365 IonicContact OE2-NE 3.55Å; E361-R365 IonicContact OE2-NH1 3.5Å; E361-R365 PolarHBondContact OE2-NH1 3.31Å; E361-N366 PolarHBondContact O-N 3.28Å; E361-N366 PolarHBondContact O-ND2 2.91Å
362	I	96.8	Very high	94.1	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	13%	0.126	C	C	.	.	I	π-helix	trans	-72.3	-63	178.8	-54.4	175.5	0	0	0	109.5	W330 Y357 S359 T364 N366 L367 V406 Y410 I417	W330-I362 HydrophobicContact CB-CD1 4.48Å; W330-I362 HydrophobicContact CB-CG2 3.92Å; W330-I362 HydrophobicContact CD2-CG2 4.02Å; W330-I362 HydrophobicContact CG-CD1 4.22Å; W330-I362 HydrophobicContact CG-CG1 4.25Å; W330-I362 HydrophobicContact CG-CG2 3.7Å; Y357-I362 HydrophobicContact CD1-CD1 4.17Å; Y357-I362 HydrophobicContact CD1-CG1 3.7Å; Y357-I362 HydrophobicContact CD2-CD1 3.78Å; Y357-I362 HydrophobicContact CD2-CG1 4.19Å; Y357-I362 HydrophobicContact CE1-CG1 4.04Å; Y357-I362 HydrophobicContact CE2-CD1 4.31Å; Y357-I362 HydrophobicContact CG-CD1 3.7Å; Y357-I362 HydrophobicContact CG-CG1 3.76Å; S359-I362 PolarHBondContact O-N 2.85Å; S359-I362 VanDerWaalsContact O-N 3.08Å; I362-T364 PolarHBondContact O-N 2.96Å; I362-N366 WeakPolarHBondContact O-CB 3.49Å; I362-N366 PolarHBondContact O-N 3.16Å; I362-L367 HydrophobicContact CG2-CD1 4.15Å; I362-L367 HydrophobicContact CG2-CG 4.49Å; I362-L367 WeakPolarHBondContact O-CG 3.47Å; I362-L367 PolarHBondContact O-N 3.45Å; I362-V406 HydrophobicContact CB-CG1 3.98Å; I362-V406 HydrophobicContact CB-CG2 4.24Å; I362-V406 HydrophobicContact CD1-CG1 4.08Å; I362-V406 HydrophobicContact CG2-CG1 4.23Å; I362-V406 HydrophobicContact CG2-CG2 3.77Å; I362-Y410 HydrophobicContact CD1-CE1 4.21Å; I362-Y410 HydrophobicContact CD1-CE2 3.84Å; I362-I417 HydrophobicContact CD1-CD1 4.23Å
363	G	96.7	Very high	94	Very high	0 Å²	0	26 Å²	26	0%	0	13%	0.129	C	C	.	.	I	π-helix	trans	-62.4	-41.1	-171.6	0	0	0	0	0	113	S359 L367 C368 I402	S359-G363 PolarHBondContact O-N 3.21Å; G363-L367 WeakPolarHBondContact O-CB 3.2Å; G363-C368 PolarHBondContact O-N 3.37Å; G363-C368 PolarHBondContact O-SG 3.22Å; G363-I402 WeakPolarHBondContact O-CG2 3.45Å
364	T	95.1	Very high	93.9	Very high	14 Å²	14	27.8 Å²	27.8	9%	0.086	14%	0.14	C	C	.	.	I	π-helix	trans	-98.1	-65.9	-175	-35.6	0	0	0	0	111.6	T360 I362 N366 C368 D369 N403 P451	T360-T364 WeakPolarHBondContact O-CA 3.25Å; T360-T364 WeakPolarHBondContact O-CB 3.06Å; T360-T364 PolarHBondContact O-N 3.04Å; T360-T364 PolarHBondContact O-OG1 2.99Å; I362-T364 PolarHBondContact O-N 2.96Å; T364-N366 PolarHBondContact O-N 3.41Å; T364-C368 WeakPolarHBondContact O-CB 3.15Å; T364-C368 PolarHBondContact O-N 2.93Å; T364-C368 VanDerWaalsContact O-N 3.09Å; T364-D369 PolarHBondContact O-N 3.02Å; T364-D369 VanDerWaalsContact O-N 3.1Å; T364-N403 PolarHBondContact OG1-ND2 2.82Å; T364-N403 VanDerWaalsContact OG1-ND2 3.07Å; T364-N403 PolarHBondContact OG1-OD1 3.49Å; T364-P451 HydrophobicContact CG2-CB 3.96Å; T364-P451 HydrophobicContact CG2-CG 3.82Å
365	R	92.6	Very high	94	Very high	29 Å²	29	27.9 Å²	27.9	11%	0.109	14%	0.141	C	C	.	.	I	π-helix	trans	-71.7	-19.3	-172.4	-71.8	170.5	175.8	176	3.4	115.5	T360 E361 R372 W447 P451	T360-R365 PolarHBondContact O-N 2.97Å; E361-R365 CarbonylContact O-C 3.55Å; E361-R365 PolarHBondContact O-N 3.34Å; E361-R365 IonicContact OE1-CZ 3.5Å; E361-R365 IonicContact OE1-NE 3.59Å; E361-R365 IonicContact OE1-NH1 2.73Å; E361-R365 PolarHBondContact OE1-NH1 3.43Å; E361-R365 WeakPolarHBondContact OE2-CD 3.22Å; E361-R365 IonicContact OE2-CZ 3.45Å; E361-R365 IonicContact OE2-NE 3.55Å; E361-R365 IonicContact OE2-NH1 3.5Å; E361-R365 PolarHBondContact OE2-NH1 3.31Å; R365-R372 PolarHBondContact O-NH1 3.19Å; R365-W447 PolarHBondContact NH2-O 2.75Å; R365-P451 HydrophobicContact CG-CG 4.19Å
366	N	94.9	Very high	94.2	Very high	13 Å²	13	28.3 Å²	28.3	7%	0.07	14%	0.14	C	C	.	.	I	π-helix	trans	-103	-49.7	174.2	-70.4	-72	0	0	0	112.1	W330 E361 I362 T364 R372 Y373	W330-N366 HydrophobicContact CH2-CB 3.56Å; W330-N366 HydrophobicContact CZ2-CB 3.8Å; W330-N366 WeakPolarHBondContact CZ2-OD1 3.44Å; W330-N366 HydrophobicContact CZ3-CB 4.04Å; E361-N366 PolarHBondContact O-N 3.28Å; E361-N366 PolarHBondContact O-ND2 2.91Å; I362-N366 WeakPolarHBondContact O-CB 3.49Å; I362-N366 PolarHBondContact O-N 3.16Å; T364-N366 PolarHBondContact O-N 3.41Å; N366-R372 VanDerWaalsContact O-CB 3.26Å; N366-R372 WeakPolarHBondContact O-CB 3.46Å; N366-R372 VanDerWaalsContact OD1-CZ 3.23Å; N366-R372 PolarHBondContact OD1-NH1 3.35Å; N366-R372 PolarHBondContact OD1-NH2 2.58Å; N366-Y373 WeakPolarHBondContact O-CD2 3.25Å; N366-Y373 PolarHBondContact O-N 2.89Å
367	L	96.7	Very high	94.4	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	15%	0.149	C	C	.	.	I	π-helix	trans	-85.1	-46.4	-173.3	-66.7	177.4	0	0	0	114.2	L315 I362 G363 Y373 N374 I375 I402 V406	L315-L367 HydrophobicContact CD1-CD1 3.68Å; I362-L367 HydrophobicContact CG2-CD1 4.15Å; I362-L367 HydrophobicContact CG2-CG 4.49Å; I362-L367 WeakPolarHBondContact O-CG 3.47Å; I362-L367 PolarHBondContact O-N 3.45Å; G363-L367 WeakPolarHBondContact O-CB 3.2Å; L367-Y373 HydrophobicContact CD2-CG 4.32Å; L367-Y373 CarbonylContact O-C 3.38Å; L367-N374 PolarHBondContact O-N 2.83Å; L367-I375 HydrophobicContact CB-CD1 3.87Å; L367-I375 HydrophobicContact CB-CG1 4.14Å; L367-I375 HydrophobicContact CD1-CD1 4.29Å; L367-I375 HydrophobicContact CD2-CD1 4.48Å; L367-I375 HydrophobicContact CG-CD1 4.44Å; L367-I375 PolarHBondContact O-N 2.59Å; L367-I402 HydrophobicContact CB-CG2 4.27Å; L367-I402 HydrophobicContact CD1-CG2 4.13Å; L367-V406 HydrophobicContact CD1-CG2 4.29Å
368	C	96.3	Very high	94.5	Very high	4 Å²	4	32.7 Å²	32.7	3%	0.027	17%	0.167	C	C	.	.	I	π-helix	trans	-83	-32	-174.9	-68.1	0	0	0	0	114.8	G363 T364 L376 I402	G363-C368 PolarHBondContact O-N 3.37Å; G363-C368 PolarHBondContact O-SG 3.22Å; T364-C368 WeakPolarHBondContact O-CB 3.15Å; T364-C368 PolarHBondContact O-N 2.93Å; T364-C368 VanDerWaalsContact O-N 3.09Å; C368-L376 HydrophobicContact CB-CD1 3.97Å; C368-L376 HydrophobicContact CB-CD2 3.94Å; C368-L376 HydrophobicContact CB-CG 3.72Å; C368-L376 WeakPolarHBondContact SG-CD2 3.37Å; C368-I402 WeakPolarHBondContact SG-CD1 3.41Å
369	D	92.7	Very high	94.6	Very high	45 Å²	45	32.2 Å²	32.2	24%	0.241	17%	0.165	C	C	.	.			trans	-58.6	130.4	-169.7	-95.3	-5.1	0	0	0	113.1	T364 H371 R372 N374	T364-D369 PolarHBondContact O-N 3.02Å; T364-D369 VanDerWaalsContact O-N 3.1Å; D369-H371 PolarHBondContact O-N 2.96Å; D369-H371 IonicContact OD2-CE1 2.78Å; D369-H371 PolarHBondContact OD2-CE1 3.17Å; D369-H371 VanDerWaalsContact OD2-CE1 3.27Å; D369-R372 HydrophobicContact CB-CB 4.15Å; D369-R372 HydrophobicContact CB-CG 3.97Å; D369-R372 WeakPolarHBondContact O-CA 3.14Å; D369-R372 PolarHBondContact O-N 3.43Å; D369-N374 PolarHBondContact O-N 3.23Å
370	P	90.4	Very high	94.7	Very high	99 Å²	99	32.2 Å²	32.2	64%	0.643	17%	0.165	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.7	-13.4	-175.8	-27.1	35.5	0	0	0	116.6	N374	P370-N374 WeakPolarHBondContact CA-OD1 3.31Å
371	H	89.6	Confident	94.7	Very high	123 Å²	123	36.6 Å²	36.6	57%	0.569	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	-99.9	10.6	175.6	70	-79.4	0	0	0	112.4	D369	D369-H371 PolarHBondContact O-N 2.96Å; D369-H371 IonicContact OD2-CE1 2.78Å; D369-H371 PolarHBondContact OD2-CE1 3.17Å; D369-H371 VanDerWaalsContact OD2-CE1 3.27Å
372	R	92.7	Very high	94.8	Very high	28 Å²	28	37.7 Å²	37.7	11%	0.106	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-130.5	-127.6	-177.7	-57.8	-64.8	-57.9	-62.9	2.9	109.1	D264 P265 R365 N366 D369	D264-R372 IonicContact OD1-CZ 3.92Å; D264-R372 IonicContact OD1-NE 3.45Å; D264-R372 PolarHBondContact OD1-NE 3.27Å; D264-R372 IonicContact OD1-NH2 3.27Å; D264-R372 PolarHBondContact OD1-NH2 3.39Å; D264-R372 IonicContact OD2-CZ 3.83Å; D264-R372 IonicContact OD2-NH2 3.97Å; D264-R372 PolarHBondContact OD2-NH2 3.24Å; P265-R372 WeakPolarHBondContact CG-O 3.49Å; R365-R372 PolarHBondContact O-NH1 3.19Å; N366-R372 VanDerWaalsContact O-CB 3.26Å; N366-R372 WeakPolarHBondContact O-CB 3.46Å; N366-R372 VanDerWaalsContact OD1-CZ 3.23Å; N366-R372 PolarHBondContact OD1-NH1 3.35Å; N366-R372 PolarHBondContact OD1-NH2 2.58Å; D369-R372 HydrophobicContact CB-CB 4.15Å; D369-R372 HydrophobicContact CB-CG 3.97Å; D369-R372 WeakPolarHBondContact O-CA 3.14Å; D369-R372 PolarHBondContact O-N 3.43Å
373	Y	94.3	Very high	94.8	Very high	15 Å²	15	39.9 Å²	39.9	6%	0.059	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.4	-15.8	-176.4	-76.9	-108	0	0	0	114.5	Y251 D264 R285 F286 W330 N366 L367 I375	Y251-Y373 WeakPolarHBondContact CB-OH 3.26Å; Y251-Y373 WeakPolarHBondContact CD2-OH 3.25Å; D264-Y373 HydrophobicContact CB-CE2 3.68Å; R285-Y373 HydrophobicContact CG-CE1 4.03Å; R285-Y373 PolarHBondContact O-OH 3.32Å; F286-Y373 HydrophobicContact CD1-CE1 4.13Å; F286-Y373 HydrophobicContact CE1-CD1 4.28Å; F286-Y373 AromaticContact CE1-CE1 3.45Å; F286-Y373 HydrophobicContact CE1-CE1 3.45Å; F286-Y373 VanDerWaalsContact CE1-CE1 3.45Å; F286-Y373 AromaticContact CE1-CZ 3.91Å; F286-Y373 HydrophobicContact CZ-CD1 4.45Å; F286-Y373 AromaticContact CZ-CE1 3.93Å; F286-Y373 HydrophobicContact CZ-CE1 3.93Å; W330-Y373 HydrophobicContact CH2-CE2 4.17Å; W330-Y373 HydrophobicContact CZ3-CD2 4.44Å; W330-Y373 AromaticContact CZ3-CE2 3.83Å; W330-Y373 HydrophobicContact CZ3-CE2 3.83Å; N366-Y373 WeakPolarHBondContact O-CD2 3.25Å; N366-Y373 PolarHBondContact O-N 2.89Å; L367-Y373 HydrophobicContact CD2-CG 4.32Å; L367-Y373 CarbonylContact O-C 3.38Å; Y373-I375 VanDerWaalsContact C-N 3.3Å; Y373-I375 WeakPolarHBondContact O-CG2 3.25Å; Y373-I375 PolarHBondContact O-N 3.13Å; Y373-I375 VanDerWaalsContact O-N 3.14Å
374	N	95.1	Very high	94.7	Very high	71 Å²	71	47.4 Å²	47.4	38%	0.38	25%	0.253	S	S	.	.			trans	48.3	34.6	173.6	-166.8	53.8	0	0	0	116.5	L367 D369 P370 L376	L367-N374 PolarHBondContact O-N 2.83Å; D369-N374 PolarHBondContact O-N 3.23Å; P370-N374 WeakPolarHBondContact CA-OD1 3.31Å; N374-L376 PolarHBondContact O-N 2.78Å
375	I	95.8	Very high	94.7	Very high	1 Å²	1	48.4 Å²	48.4	1%	0.005	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.1	2.7	-169.7	74	170.1	0	0	0	115.3	L328 L367 Y373 E377 D378 V379 I402	L328-I375 HydrophobicContact CD1-CD1 3.52Å; L328-I375 HydrophobicContact CD2-CG2 4.46Å; L367-I375 HydrophobicContact CB-CD1 3.87Å; L367-I375 HydrophobicContact CB-CG1 4.14Å; L367-I375 HydrophobicContact CD1-CD1 4.29Å; L367-I375 HydrophobicContact CD2-CD1 4.48Å; L367-I375 HydrophobicContact CG-CD1 4.44Å; L367-I375 PolarHBondContact O-N 2.59Å; Y373-I375 VanDerWaalsContact C-N 3.3Å; Y373-I375 WeakPolarHBondContact O-CG2 3.25Å; Y373-I375 PolarHBondContact O-N 3.13Å; Y373-I375 VanDerWaalsContact O-N 3.14Å; I375-E377 VanDerWaalsContact C-N 3.28Å; I375-E377 PolarHBondContact O-N 3.04Å; I375-D378 PolarHBondContact O-N 2.94Å; I375-V379 HydrophobicContact CD1-CG2 4.19Å; I375-V379 HydrophobicContact CG1-CG2 4.34Å; I375-V379 WeakPolarHBondContact O-CG2 3.42Å; I375-V379 PolarHBondContact O-N 2.85Å; I375-V379 VanDerWaalsContact O-N 3.1Å; I375-I402 HydrophobicContact CD1-CD1 3.88Å; I375-I402 HydrophobicContact CD1-CG1 4.1Å; I375-I402 HydrophobicContact CD1-CG2 4.24Å; I375-I402 HydrophobicContact CG1-CD1 3.73Å; I375-I402 HydrophobicContact CG1-CG1 4.5Å
376	L	95.7	Very high	94.8	Very high	21 Å²	21	49.9 Å²	49.9	11%	0.11	27%	0.268	C	S	.	.	H	α-helix	trans	-57.9	-40	-173.5	-79.7	171.8	0	0	0	112.7	C368 N374 A380 W394 K395 A398 A399 I402	C368-L376 HydrophobicContact CB-CD1 3.97Å; C368-L376 HydrophobicContact CB-CD2 3.94Å; C368-L376 HydrophobicContact CB-CG 3.72Å; C368-L376 WeakPolarHBondContact SG-CD2 3.37Å; N374-L376 PolarHBondContact O-N 2.78Å; L376-A380 WeakPolarHBondContact O-CB 3.34Å; L376-A380 PolarHBondContact O-N 2.9Å; L376-W394 HydrophobicContact CB-CZ3 4.02Å; L376-K395 WeakPolarHBondContact CD2-O 3.12Å; L376-A398 HydrophobicContact CD2-CB 3.96Å; L376-A399 HydrophobicContact CD2-CB 3.98Å; L376-I402 HydrophobicContact CD2-CD1 4.2Å
377	E	95.1	Very high	94.8	Very high	98 Å²	98	51 Å²	51	46%	0.458	28%	0.275	S	S	.	.	H	α-helix	trans	-77.2	-41.9	-176.7	-164	161.5	-178.1	0	0	111.5	I375 V379 A380 V381 T387 W394	I375-E377 VanDerWaalsContact C-N 3.28Å; I375-E377 PolarHBondContact O-N 3.04Å; E377-V379 VanDerWaalsContact C-N 3.3Å; E377-V379 PolarHBondContact O-N 3.49Å; E377-A380 PolarHBondContact O-N 2.88Å; E377-V381 WeakPolarHBondContact O-CG2 3.33Å; E377-V381 PolarHBondContact O-N 2.92Å; E377-T387 HydrophobicContact CG-CG2 4.27Å; E377-W394 HydrophobicContact CB-CH2 3.94Å; E377-W394 HydrophobicContact CB-CZ3 4.09Å; E377-W394 HydrophobicContact CG-CH2 4.08Å; E377-W394 HydrophobicContact CG-CZ3 4.45Å
378	D	94.8	Very high	94.6	Very high	78 Å²	78	61.2 Å²	61.2	42%	0.417	31%	0.314	S	S	.	.	H	α-helix	trans	-50	-51.7	171.2	-56.9	-18.8	0	0	0	110.8	I375 C382	I375-D378 PolarHBondContact O-N 2.94Å; D378-C382 PolarHBondContact O-N 2.88Å; D378-C382 PolarHBondContact O-SG 3.26Å
379	V	96.9	Very high	94.4	Very high	0 Å²	0	63.6 Å²	63.6	0%	0	33%	0.328	C	S	.	.	H	α-helix	trans	-68.2	-42.5	-178.9	169.5	0	0	0	0	111.5	W322 F323 L326 I375 E377 V381 C382 M383 A398 I402	W322-V379 HydrophobicContact CH2-CG1 4.17Å; F323-V379 HydrophobicContact CE2-CG1 4.47Å; F323-V379 HydrophobicContact CE2-CG2 4.08Å; L326-V379 HydrophobicContact CD1-CG2 3.82Å; I375-V379 HydrophobicContact CD1-CG2 4.19Å; I375-V379 HydrophobicContact CG1-CG2 4.34Å; I375-V379 WeakPolarHBondContact O-CG2 3.42Å; I375-V379 PolarHBondContact O-N 2.85Å; I375-V379 VanDerWaalsContact O-N 3.1Å; E377-V379 VanDerWaalsContact C-N 3.3Å; E377-V379 PolarHBondContact O-N 3.49Å; V379-V381 VanDerWaalsContact C-N 3.34Å; V379-V381 PolarHBondContact O-N 3.02Å; V379-C382 PolarHBondContact O-N 2.74Å; V379-M383 HydrophobicContact CG1-CG 4.41Å; V379-M383 HydrophobicContact CG1-SD 3.9Å; V379-M383 WeakPolarHBondContact O-CB 3.47Å; V379-M383 VanDerWaalsContact O-CG 3.29Å; V379-M383 WeakPolarHBondContact O-CG 3.35Å; V379-M383 PolarHBondContact O-N 3.45Å; V379-A398 HydrophobicContact CB-CB 4.32Å; V379-A398 HydrophobicContact CG1-CB 3.88Å; V379-I402 HydrophobicContact CB-CD1 4.1Å; V379-I402 HydrophobicContact CB-CG1 4.37Å; V379-I402 HydrophobicContact CG1-CD1 4.13Å; V379-I402 HydrophobicContact CG1-CG1 4.03Å; V379-I402 HydrophobicContact CG2-CD1 3.88Å; V379-I402 HydrophobicContact CG2-CG1 3.93Å
380	A	96.4	Very high	94.2	Very high	0 Å²	0	66.6 Å²	66.6	0%	0	35%	0.348	C	S	.	.	H	α-helix	trans	-64.8	-36.4	179.9	0	0	0	0	0	113	L376 E377 M383 D384 L385 T387 W394 A398	L376-A380 WeakPolarHBondContact O-CB 3.34Å; L376-A380 PolarHBondContact O-N 2.9Å; E377-A380 PolarHBondContact O-N 2.88Å; A380-M383 PolarHBondContact O-N 3.22Å; A380-D384 PolarHBondContact O-N 3.03Å; A380-L385 HydrophobicContact CB-CB 4.26Å; A380-L385 HydrophobicContact CB-CD1 4.22Å; A380-L385 WeakPolarHBondContact O-CB 3.47Å; A380-L385 PolarHBondContact O-N 3.45Å; A380-T387 HydrophobicContact CB-CG2 3.83Å; A380-W394 HydrophobicContact CB-CB 4.46Å; A380-W394 HydrophobicContact CB-CD2 4.33Å; A380-W394 HydrophobicContact CB-CE3 3.51Å; A380-W394 HydrophobicContact CB-CZ3 4.02Å; A380-A398 HydrophobicContact CB-CB 4.25Å
381	V	96.1	Very high	94.4	Very high	92 Å²	92	66.5 Å²	66.5	56%	0.558	35%	0.35	S	S	*	.	H	α-helix	trans	-66.6	-43.4	173.8	170.7	0	0	0	0	111	E377 V379 M383 D384 T387	E377-V381 WeakPolarHBondContact O-CG2 3.33Å; E377-V381 PolarHBondContact O-N 2.92Å; V379-V381 VanDerWaalsContact C-N 3.34Å; V379-V381 PolarHBondContact O-N 3.02Å; V381-M383 PolarHBondContact O-N 3.45Å; V381-D384 PolarHBondContact O-N 2.85Å; V381-D384 VanDerWaalsContact O-N 3.12Å; V381-T387 HydrophobicContact CG2-CG2 4.3Å
382	C	96.5	Very high	94.6	Very high	61 Å²	61	62 Å²	62	41%	0.412	33%	0.332	S	S	.	.	H	α-helix	trans	-68.2	-17.4	174.7	-68.1	0	0	0	0	114	W322 D378 V379	W322-C382 HydrophobicContact CD2-CB 3.73Å; W322-C382 HydrophobicContact CE3-CB 3.47Å; W322-C382 VanDerWaalsContact CE3-CB 3.47Å; W322-C382 HydrophobicContact CH2-CB 3.42Å; W322-C382 VanDerWaalsContact CH2-CB 3.42Å; W322-C382 HydrophobicContact CZ2-CB 3.61Å; W322-C382 WeakPolarHBondContact CZ2-O 3.47Å; W322-C382 HydrophobicContact CZ3-CB 3.34Å; W322-C382 PolarHBondContact NE1-O 3.01Å; D378-C382 PolarHBondContact O-N 2.88Å; D378-C382 PolarHBondContact O-SG 3.26Å; V379-C382 PolarHBondContact O-N 2.74Å
383	M	96.6	Very high	94.7	Very high	46 Å²	46	65.4 Å²	65.4	23%	0.227	35%	0.352	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.3	2.7	171.7	-71.2	178.4	71.3	0	0	114.3	L320 W322 V379 A380 V381 L385 K397 E401	L320-M383 HydrophobicContact CD1-CG 4.37Å; W322-M383 HydrophobicContact CH2-CG 3.94Å; W322-M383 HydrophobicContact CZ2-CG 3.65Å; V379-M383 HydrophobicContact CG1-CG 4.41Å; V379-M383 HydrophobicContact CG1-SD 3.9Å; V379-M383 WeakPolarHBondContact O-CB 3.47Å; V379-M383 VanDerWaalsContact O-CG 3.29Å; V379-M383 WeakPolarHBondContact O-CG 3.35Å; V379-M383 PolarHBondContact O-N 3.45Å; A380-M383 PolarHBondContact O-N 3.22Å; V381-M383 PolarHBondContact O-N 3.45Å; M383-L385 VanDerWaalsContact C-N 3.29Å; M383-L385 HydrophobicContact CB-CD1 3.94Å; M383-L385 HydrophobicContact CB-CG 3.73Å; M383-L385 HydrophobicContact CE-CD1 3.99Å; M383-L385 PolarHBondContact O-N 3.44Å; M383-L385 HydrophobicContact SD-CD1 4.03Å; M383-K397 HydrophobicContact CE-CB 4.5Å; M383-E401 HydrophobicContact CE-CG 3.48Å; M383-E401 VanDerWaalsContact CE-CG 3.48Å; M383-E401 HydrophobicContact SD-CB 4.28Å; M383-E401 HydrophobicContact SD-CG 3.86Å
384	D	95.3	Very high	94.8	Very high	157 Å²	157	65.3 Å²	65.3	84%	0.84	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.5	40	-173.6	-161.2	33.8	0	0	0	113.6	A380 V381	A380-D384 PolarHBondContact O-N 3.03Å; V381-D384 PolarHBondContact O-N 2.85Å; V381-D384 VanDerWaalsContact O-N 3.12Å
385	L	95.1	Very high	94.8	Very high	36 Å²	36	66.6 Å²	66.6	19%	0.188	35%	0.354	C	S	.	.			trans	-93	137.9	177.6	-58.6	177.9	0	0	0	111.4	A380 M383 T387 W394 K397	A380-L385 HydrophobicContact CB-CB 4.26Å; A380-L385 HydrophobicContact CB-CD1 4.22Å; A380-L385 WeakPolarHBondContact O-CB 3.47Å; A380-L385 PolarHBondContact O-N 3.45Å; M383-L385 VanDerWaalsContact C-N 3.29Å; M383-L385 HydrophobicContact CB-CD1 3.94Å; M383-L385 HydrophobicContact CB-CG 3.73Å; M383-L385 HydrophobicContact CE-CD1 3.99Å; M383-L385 PolarHBondContact O-N 3.44Å; M383-L385 HydrophobicContact SD-CD1 4.03Å; L385-T387 PolarHBondContact O-N 3.03Å; L385-W394 HydrophobicContact CB-CB 3.97Å; L385-W394 HydrophobicContact CD1-CB 4.25Å; L385-K397 HydrophobicContact CD1-CB 3.8Å; L385-K397 HydrophobicContact CD1-CD 4.13Å; L385-K397 HydrophobicContact CD2-CD 3.96Å
386	D	93.7	Very high	94.8	Very high	60 Å²	60	71.1 Å²	71.1	32%	0.321	38%	0.378	S	S	.	.			trans	-68.9	98.1	174.4	-171.8	-5.9	0	0	0	111.4	R388 S392	D386-R388 VanDerWaalsContact C-N 3.29Å; D386-R388 PolarHBondContact O-N 3.39Å; D386-R388 VanDerWaalsContact OD1-CB 3.24Å; D386-R388 WeakPolarHBondContact OD1-CB 3.5Å; D386-R388 WeakPolarHBondContact OD1-CG 3.44Å; D386-R388 IonicContact OD1-CZ 2.75Å; D386-R388 PolarHBondContact OD1-N 2.95Å; D386-R388 IonicContact OD1-NE 3.62Å; D386-R388 PolarHBondContact OD1-NE 3.38Å; D386-R388 IonicContact OD1-NH2 3.26Å; D386-R388 IonicContact OD2-CZ 3.97Å; D386-R388 IonicContact OD2-NE 3.98Å; D386-R388 PolarHBondContact OD2-NE 3.33Å; D386-R388 IonicContact OD2-NH2 2.71Å; D386-R388 PolarHBondContact OD2-NH2 3.42Å; D386-S392 WeakPolarHBondContact O-CB 3.4Å; D386-S392 PolarHBondContact O-OG 3.17Å
387	T	94.9	Very high	94.8	Very high	35 Å²	35	74.6 Å²	74.6	22%	0.215	39%	0.392	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.6	-16.3	179.4	59.2	0	0	0	0	113.7	E377 A380 V381 L385 T389 W394	E377-T387 HydrophobicContact CG-CG2 4.27Å; A380-T387 HydrophobicContact CB-CG2 3.83Å; V381-T387 HydrophobicContact CG2-CG2 4.3Å; L385-T387 PolarHBondContact O-N 3.03Å; T387-T389 VanDerWaalsContact C-N 3.27Å; T387-T389 PolarHBondContact O-N 3.18Å; T387-W394 HydrophobicContact CG2-CD2 4.05Å; T387-W394 HydrophobicContact CG2-CE3 4.19Å; T387-W394 HydrophobicContact CG2-CG 4.42Å; T387-W394 HydrophobicContact CG2-CH2 4.49Å; T387-W394 HydrophobicContact CG2-CZ2 4.39Å; T387-W394 HydrophobicContact CG2-CZ3 4.41Å; T387-W394 PolarHBondContact O-NE1 2.93Å
388	R	93.4	Very high	94.9	Very high	216 Å²	216	70 Å²	70	82%	0.815	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.3	-21.7	-169.4	-54.1	169.8	-62.9	177.8	3.9	113.5	D386	D386-R388 VanDerWaalsContact C-N 3.29Å; D386-R388 PolarHBondContact O-N 3.39Å; D386-R388 VanDerWaalsContact OD1-CB 3.24Å; D386-R388 WeakPolarHBondContact OD1-CB 3.5Å; D386-R388 WeakPolarHBondContact OD1-CG 3.44Å; D386-R388 IonicContact OD1-CZ 2.75Å; D386-R388 PolarHBondContact OD1-N 2.95Å; D386-R388 IonicContact OD1-NE 3.62Å; D386-R388 PolarHBondContact OD1-NE 3.38Å; D386-R388 IonicContact OD1-NH2 3.26Å; D386-R388 IonicContact OD2-CZ 3.97Å; D386-R388 IonicContact OD2-NE 3.98Å; D386-R388 PolarHBondContact OD2-NE 3.33Å; D386-R388 IonicContact OD2-NH2 2.71Å; D386-R388 PolarHBondContact OD2-NH2 3.42Å
389	T	90.5	Very high	95	Very high	53 Å²	53	66.8 Å²	66.8	33%	0.325	36%	0.355	S	S	.	.			trans	-129.3	140.6	176.6	178.2	0	0	0	0	110.8	T387 S391 S392 W394	T387-T389 VanDerWaalsContact C-N 3.27Å; T387-T389 PolarHBondContact O-N 3.18Å; T389-S391 WeakPolarHBondContact CG2-OG 3.48Å; T389-S391 PolarHBondContact O-N 3.47Å; T389-S391 PolarHBondContact OG1-N 3.38Å; T389-S391 VanDerWaalsContact OG1-N 3.15Å; T389-S391 PolarHBondContact OG1-OG 3.25Å; T389-S392 PolarHBondContact O-OG 2.88Å; T389-S392 VanDerWaalsContact O-OG 3.05Å; T389-W394 VanDerWaalsContact O-CD1 3.28Å
390	T	90.1	Very high	95	Very high	108 Å²	108	69.9 Å²	69.9	66%	0.663	37%	0.374	S	S	*	.	G	3₁₀ helix	trans	-68.8	-19.8	171.8	49.5	0	0	0	0	112.7	S392 L393	T390-S392 PolarHBondContact O-N 3.4Å; T390-L393 PolarHBondContact O-N 2.85Å; T390-L393 VanDerWaalsContact O-N 3.13Å
391	S	93.4	Very high	95.1	Very high	98 Å²	98	72.2 Å²	72.2	69%	0.685	39%	0.385	S	S	*	.	G	3₁₀ helix	trans	-69.3	-10.9	-179.3	67.4	0	0	0	0	114.5	T389 L393	T389-S391 WeakPolarHBondContact CG2-OG 3.48Å; T389-S391 PolarHBondContact O-N 3.47Å; T389-S391 PolarHBondContact OG1-N 3.38Å; T389-S391 VanDerWaalsContact OG1-N 3.15Å; T389-S391 PolarHBondContact OG1-OG 3.25Å; S391-L393 VanDerWaalsContact C-N 3.26Å
392	S	93.3	Very high	95.2	Very high	27 Å²	27	67.8 Å²	67.8	19%	0.189	36%	0.358	C	S	.	.	G	3₁₀ helix	trans	-78.6	-9.8	172.9	67.5	0	0	0	0	113.2	D386 T389 T390 W394 K397	D386-S392 WeakPolarHBondContact O-CB 3.4Å; D386-S392 PolarHBondContact O-OG 3.17Å; T389-S392 PolarHBondContact O-OG 2.88Å; T389-S392 VanDerWaalsContact O-OG 3.05Å; T390-S392 PolarHBondContact O-N 3.4Å; S392-W394 PolarHBondContact O-N 2.73Å; S392-W394 PolarHBondContact OG-N 3.21Å; S392-K397 PolarHBondContact O-NZ 2.82Å
393	L	95.9	Very high	95.2	Very high	100 Å²	100	65.3 Å²	65.3	52%	0.524	34%	0.341	S	S	.	.			trans	55.3	34.1	-172.5	-54	179.4	0	0	0	113	T390 S391 K395 D396 K397	T390-L393 PolarHBondContact O-N 2.85Å; T390-L393 VanDerWaalsContact O-N 3.13Å; S391-L393 VanDerWaalsContact C-N 3.26Å; L393-K395 VanDerWaalsContact C-N 3.32Å; L393-K395 PolarHBondContact O-N 2.86Å; L393-D396 HydrophobicContact CB-CB 4.42Å; L393-D396 PolarHBondContact O-N 3.45Å; L393-K397 WeakPolarHBondContact O-CG 3.45Å; L393-K397 PolarHBondContact O-N 3.24Å; L393-K397 VanDerWaalsContact O-N 3.08Å
394	W	96.1	Very high	95.3	Very high	14 Å²	14	65.7 Å²	65.7	5%	0.053	35%	0.345	C	S	.	.	H	α-helix	trans	-62	-37.4	-177	68.7	-100.5	0	0	0	113.2	L376 E377 A380 L385 T387 T389 S392 A398	L376-W394 HydrophobicContact CB-CZ3 4.02Å; E377-W394 HydrophobicContact CB-CH2 3.94Å; E377-W394 HydrophobicContact CB-CZ3 4.09Å; E377-W394 HydrophobicContact CG-CH2 4.08Å; E377-W394 HydrophobicContact CG-CZ3 4.45Å; A380-W394 HydrophobicContact CB-CB 4.46Å; A380-W394 HydrophobicContact CB-CD2 4.33Å; A380-W394 HydrophobicContact CB-CE3 3.51Å; A380-W394 HydrophobicContact CB-CZ3 4.02Å; L385-W394 HydrophobicContact CB-CB 3.97Å; L385-W394 HydrophobicContact CD1-CB 4.25Å; T387-W394 HydrophobicContact CG2-CD2 4.05Å; T387-W394 HydrophobicContact CG2-CE3 4.19Å; T387-W394 HydrophobicContact CG2-CG 4.42Å; T387-W394 HydrophobicContact CG2-CH2 4.49Å; T387-W394 HydrophobicContact CG2-CZ2 4.39Å; T387-W394 HydrophobicContact CG2-CZ3 4.41Å; T387-W394 PolarHBondContact O-NE1 2.93Å; T389-W394 VanDerWaalsContact O-CD1 3.28Å; S392-W394 PolarHBondContact O-N 2.73Å; S392-W394 PolarHBondContact OG-N 3.21Å; W394-A398 WeakPolarHBondContact O-CB 3.47Å; W394-A398 PolarHBondContact O-N 3.42Å
395	K	95.8	Very high	95.4	Very high	98 Å²	98	58.2 Å²	58.2	43%	0.426	31%	0.305	S	S	.	.	H	α-helix	trans	-65.6	-44.7	179.2	-65.4	-169.9	176.8	-169.4	0	111.3	L376 L393 A399	L376-K395 WeakPolarHBondContact CD2-O 3.12Å; L393-K395 VanDerWaalsContact C-N 3.32Å; L393-K395 PolarHBondContact O-N 2.86Å; K395-A399 WeakPolarHBondContact O-CB 3.39Å; K395-A399 PolarHBondContact O-N 3.26Å
396	D	95.2	Very high	95.6	Very high	96 Å²	96	56.5 Å²	56.5	51%	0.513	30%	0.296	S	S	.	.	H	α-helix	trans	-65.3	-44.8	-179.4	-46.7	-95.3	0	0	0	110.6	L393 A399 V400	L393-D396 HydrophobicContact CB-CB 4.42Å; L393-D396 PolarHBondContact O-N 3.45Å; D396-A399 PolarHBondContact O-N 3.23Å; D396-V400 WeakPolarHBondContact O-CG2 3.28Å; D396-V400 PolarHBondContact O-N 3.44Å
397	K	96.1	Very high	95.8	Very high	94 Å²	94	55.5 Å²	55.5	41%	0.409	29%	0.291	S	S	.	.	H	α-helix	trans	-60.1	-53.4	174.5	-71.2	165.8	-179.8	166.5	0	112.1	M383 L385 S392 L393 A399 V400 E401	M383-K397 HydrophobicContact CE-CB 4.5Å; L385-K397 HydrophobicContact CD1-CB 3.8Å; L385-K397 HydrophobicContact CD1-CD 4.13Å; L385-K397 HydrophobicContact CD2-CD 3.96Å; S392-K397 PolarHBondContact O-NZ 2.82Å; L393-K397 WeakPolarHBondContact O-CG 3.45Å; L393-K397 PolarHBondContact O-N 3.24Å; L393-K397 VanDerWaalsContact O-N 3.08Å; K397-A399 VanDerWaalsContact C-N 3.31Å; K397-A399 PolarHBondContact O-N 3.25Å; K397-V400 PolarHBondContact O-N 3.33Å; K397-V400 VanDerWaalsContact O-N 3.15Å; K397-E401 PolarHBondContact O-N 3.43Å; K397-E401 VanDerWaalsContact O-N 3.14Å
398	A	96.9	Very high	95.9	Very high	0 Å²	0	56.5 Å²	56.5	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-60.3	-41	178.8	0	0	0	0	0	111.6	L376 V379 A380 W394 V400 E401 I402	L376-A398 HydrophobicContact CD2-CB 3.96Å; V379-A398 HydrophobicContact CB-CB 4.32Å; V379-A398 HydrophobicContact CG1-CB 3.88Å; A380-A398 HydrophobicContact CB-CB 4.25Å; W394-A398 WeakPolarHBondContact O-CB 3.47Å; W394-A398 PolarHBondContact O-N 3.42Å; A398-V400 VanDerWaalsContact C-N 3.33Å; A398-V400 PolarHBondContact O-N 3.29Å; A398-E401 PolarHBondContact O-N 3.05Å; A398-I402 WeakPolarHBondContact O-CB 3.25Å; A398-I402 VanDerWaalsContact O-CD1 3.26Å; A398-I402 WeakPolarHBondContact O-CD1 3.31Å; A398-I402 WeakPolarHBondContact O-CG1 3.4Å; A398-I402 PolarHBondContact O-N 3.1Å
399	A	96.8	Very high	96.2	Very high	11 Å²	11	46.3 Å²	46.3	9%	0.091	26%	0.255	C	S	.	.	H	α-helix	trans	-62	-37.8	176.1	0	0	0	0	0	112.6	L376 K395 D396 K397 N403 I452	L376-A399 HydrophobicContact CD2-CB 3.98Å; K395-A399 WeakPolarHBondContact O-CB 3.39Å; K395-A399 PolarHBondContact O-N 3.26Å; D396-A399 PolarHBondContact O-N 3.23Å; K397-A399 VanDerWaalsContact C-N 3.31Å; K397-A399 PolarHBondContact O-N 3.25Å; A399-N403 PolarHBondContact O-N 3.07Å; A399-N403 PolarHBondContact O-ND2 3.36Å; A399-I452 HydrophobicContact CB-CD1 3.85Å
400	V	96.9	Very high	96.5	Very high	66 Å²	66	43.8 Å²	43.8	40%	0.4	24%	0.24	S	C	.	.	H	α-helix	trans	-62.7	-55.6	174.3	170.5	0	0	0	0	110.7	D396 K397 A398 I402 N403 V404 I452	D396-V400 WeakPolarHBondContact O-CG2 3.28Å; D396-V400 PolarHBondContact O-N 3.44Å; K397-V400 PolarHBondContact O-N 3.33Å; K397-V400 VanDerWaalsContact O-N 3.15Å; A398-V400 VanDerWaalsContact C-N 3.33Å; A398-V400 PolarHBondContact O-N 3.29Å; V400-I402 VanDerWaalsContact C-N 3.29Å; V400-I402 PolarHBondContact O-N 2.67Å; V400-N403 WeakPolarHBondContact O-CA 3.42Å; V400-N403 PolarHBondContact O-N 2.83Å; V400-V404 HydrophobicContact CG1-CG2 4.37Å; V400-V404 WeakPolarHBondContact O-CG2 3.32Å; V400-V404 PolarHBondContact O-N 3.43Å; V400-I452 HydrophobicContact CG2-CD1 4Å
401	E	97.7	Very high	96.7	Very high	48 Å²	48	44.8 Å²	44.8	22%	0.224	24%	0.237	C	C	.	.	H	α-helix	trans	-62.3	-34.5	-177.2	-56.3	-53.3	99.6	0	0	112.3	H317 L320 M383 K397 A398 N403 V404 A405	H317-E401 PolarHBondContact CD2-O 2.93Å; H317-E401 VanDerWaalsContact CD2-O 3.28Å; H317-E401 IonicContact CE1-OE2 2.84Å; H317-E401 PolarHBondContact CE1-OE2 2.95Å; H317-E401 PolarHBondContact NE2-O 3.34Å; H317-E401 IonicContact NE2-OE2 2.82Å; H317-E401 PolarHBondContact NE2-OE2 3.34Å; L320-E401 HydrophobicContact CD1-CB 4.33Å; L320-E401 HydrophobicContact CD1-CG 4.28Å; M383-E401 HydrophobicContact CE-CG 3.48Å; M383-E401 VanDerWaalsContact CE-CG 3.48Å; M383-E401 HydrophobicContact SD-CB 4.28Å; M383-E401 HydrophobicContact SD-CG 3.86Å; K397-E401 PolarHBondContact O-N 3.43Å; K397-E401 VanDerWaalsContact O-N 3.14Å; A398-E401 PolarHBondContact O-N 3.05Å; E401-N403 VanDerWaalsContact C-N 3.33Å; E401-N403 PolarHBondContact O-N 3.34Å; E401-V404 PolarHBondContact O-N 2.95Å; E401-A405 PolarHBondContact O-N 3.48Å
402	I	98.3	Very high	96.7	Very high	0 Å²	0	45 Å²	45	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-63.1	-38.9	173.6	-68.6	160.2	0	0	0	111.5	F323 G363 L367 C368 I375 L376 V379 A398 V400 V406	F323-I402 HydrophobicContact CE2-CG1 4.12Å; F323-I402 HydrophobicContact CZ-CG1 4.21Å; G363-I402 WeakPolarHBondContact O-CG2 3.45Å; L367-I402 HydrophobicContact CB-CG2 4.27Å; L367-I402 HydrophobicContact CD1-CG2 4.13Å; C368-I402 WeakPolarHBondContact SG-CD1 3.41Å; I375-I402 HydrophobicContact CD1-CD1 3.88Å; I375-I402 HydrophobicContact CD1-CG1 4.1Å; I375-I402 HydrophobicContact CD1-CG2 4.24Å; I375-I402 HydrophobicContact CG1-CD1 3.73Å; I375-I402 HydrophobicContact CG1-CG1 4.5Å; L376-I402 HydrophobicContact CD2-CD1 4.2Å; V379-I402 HydrophobicContact CB-CD1 4.1Å; V379-I402 HydrophobicContact CB-CG1 4.37Å; V379-I402 HydrophobicContact CG1-CD1 4.13Å; V379-I402 HydrophobicContact CG1-CG1 4.03Å; V379-I402 HydrophobicContact CG2-CD1 3.88Å; V379-I402 HydrophobicContact CG2-CG1 3.93Å; A398-I402 WeakPolarHBondContact O-CB 3.25Å; A398-I402 VanDerWaalsContact O-CD1 3.26Å; A398-I402 WeakPolarHBondContact O-CD1 3.31Å; A398-I402 WeakPolarHBondContact O-CG1 3.4Å; A398-I402 PolarHBondContact O-N 3.1Å; V400-I402 VanDerWaalsContact C-N 3.29Å; V400-I402 PolarHBondContact O-N 2.67Å; I402-V406 WeakPolarHBondContact O-CG2 3.44Å; I402-V406 PolarHBondContact O-N 2.89Å; I402-V406 VanDerWaalsContact O-N 3.12Å
403	N	98	Very high	96.6	Very high	9 Å²	9	46 Å²	46	5%	0.048	24%	0.239	C	C	.	.	H	α-helix	trans	-72.5	-31.3	175.5	-79.1	-84.7	0	0	0	112	S359 T360 T364 A399 V400 E401 L407	S359-N403 PolarHBondContact O-OD1 2.9Å; T360-N403 VanDerWaalsContact CA-OD1 3.29Å; T360-N403 WeakPolarHBondContact CA-OD1 3.49Å; T360-N403 PolarHBondContact N-OD1 3.37Å; T364-N403 PolarHBondContact OG1-ND2 2.82Å; T364-N403 VanDerWaalsContact OG1-ND2 3.07Å; T364-N403 PolarHBondContact OG1-OD1 3.49Å; A399-N403 PolarHBondContact O-N 3.07Å; A399-N403 PolarHBondContact O-ND2 3.36Å; V400-N403 WeakPolarHBondContact O-CA 3.42Å; V400-N403 PolarHBondContact O-N 2.83Å; E401-N403 VanDerWaalsContact C-N 3.33Å; E401-N403 PolarHBondContact O-N 3.34Å; N403-L407 WeakPolarHBondContact O-CG 3.38Å; N403-L407 PolarHBondContact O-N 2.9Å; N403-L407 VanDerWaalsContact O-N 3.07Å
404	V	98.1	Very high	96.4	Very high	53 Å²	53	49.4 Å²	49.4	32%	0.321	25%	0.25	S	C	.	.	H	α-helix	trans	-66	-45.3	171.5	175.3	0	0	0	0	110.8	H317 P318 V400 E401 V406 L407 H408	H317-V404 VanDerWaalsContact NE2-CG1 3.34Å; H317-V404 WeakPolarHBondContact NE2-CG1 3.37Å; P318-V404 HydrophobicContact CG-CG1 3.94Å; V400-V404 HydrophobicContact CG1-CG2 4.37Å; V400-V404 WeakPolarHBondContact O-CG2 3.32Å; V400-V404 PolarHBondContact O-N 3.43Å; E401-V404 PolarHBondContact O-N 2.95Å; V404-V406 PolarHBondContact O-N 2.89Å; V404-L407 PolarHBondContact O-N 3.14Å; V404-H408 VanDerWaalsContact O-CB 3.31Å; V404-H408 WeakPolarHBondContact O-CB 3.39Å; V404-H408 PolarHBondContact O-N 2.92Å
405	A	98.3	Very high	96.2	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	25%	0.25	C	C	.	.	H	α-helix	trans	-56	-49.1	174.7	0	0	0	0	0	111.5	E316 H317 F323 E401 L407 H408 S409	E316-A405 VanDerWaalsContact O-CA 3.29Å; E316-A405 WeakPolarHBondContact O-CA 3.17Å; E316-A405 WeakPolarHBondContact O-CB 3.32Å; H317-A405 HydrophobicContact CB-CB 4.37Å; F323-A405 HydrophobicContact CD1-CB 3.95Å; F323-A405 HydrophobicContact CE1-CB 3.44Å; F323-A405 VanDerWaalsContact CE1-CB 3.44Å; F323-A405 HydrophobicContact CE2-CB 4.1Å; F323-A405 HydrophobicContact CG-CB 4.48Å; F323-A405 HydrophobicContact CZ-CB 3.53Å; E401-A405 PolarHBondContact O-N 3.48Å; A405-L407 PolarHBondContact O-N 2.94Å; A405-H408 PolarHBondContact O-N 2.85Å; A405-S409 VanDerWaalsContact O-CB 3.22Å; A405-S409 WeakPolarHBondContact O-CB 3.41Å; A405-S409 PolarHBondContact O-N 3.22Å; A405-S409 PolarHBondContact O-OG 3.09Å
406	V	98.3	Very high	95.9	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-57.7	-48.5	177.5	164.5	0	0	0	0	111.9	L315 I362 L367 I402 V404 Y410 I417	L315-V406 HydrophobicContact CD1-CG2 3.94Å; L315-V406 HydrophobicContact CD2-CG2 4.38Å; I362-V406 HydrophobicContact CB-CG1 3.98Å; I362-V406 HydrophobicContact CB-CG2 4.24Å; I362-V406 HydrophobicContact CD1-CG1 4.08Å; I362-V406 HydrophobicContact CG2-CG1 4.23Å; I362-V406 HydrophobicContact CG2-CG2 3.77Å; L367-V406 HydrophobicContact CD1-CG2 4.29Å; I402-V406 WeakPolarHBondContact O-CG2 3.44Å; I402-V406 PolarHBondContact O-N 2.89Å; I402-V406 VanDerWaalsContact O-N 3.12Å; V404-V406 PolarHBondContact O-N 2.89Å; V406-Y410 WeakPolarHBondContact O-CB 3.28Å; V406-Y410 VanDerWaalsContact O-CD2 3.32Å; V406-Y410 WeakPolarHBondContact O-CD2 3.2Å; V406-Y410 PolarHBondContact O-N 3.17Å; V406-Y410 VanDerWaalsContact O-N 3.16Å; V406-I417 HydrophobicContact CG1-CD1 3.59Å
407	L	97.6	Very high	95.9	Very high	39 Å²	39	43.1 Å²	43.1	20%	0.204	22%	0.224	C	C	.	.	H	α-helix	trans	-64.5	-47.3	179.2	-76.8	169.5	0	0	0	111.9	N403 V404 A405 Q411 I417 D419	N403-L407 WeakPolarHBondContact O-CG 3.38Å; N403-L407 PolarHBondContact O-N 2.9Å; N403-L407 VanDerWaalsContact O-N 3.07Å; V404-L407 PolarHBondContact O-N 3.14Å; A405-L407 PolarHBondContact O-N 2.94Å; L407-Q411 WeakPolarHBondContact O-CB 3.31Å; L407-Q411 WeakPolarHBondContact O-CG 3.39Å; L407-Q411 PolarHBondContact O-N 3.25Å; L407-I417 HydrophobicContact CD2-CG1 4.47Å; L407-I417 HydrophobicContact CD2-CG2 4.01Å; L407-D419 HydrophobicContact CD1-CB 4.19Å; L407-D419 HydrophobicContact CD2-CB 4.29Å
408	H	97.8	Very high	95.7	Very high	56 Å²	56	40.3 Å²	40.3	26%	0.259	21%	0.214	S	C	.	.	H	α-helix	trans	-61	-48.2	180	-178.6	63.7	0	0	0	112	P318 V404 A405 Y410 Q411 L412	P318-H408 HydrophobicContact CG-CB 4.35Å; V404-H408 VanDerWaalsContact O-CB 3.31Å; V404-H408 WeakPolarHBondContact O-CB 3.39Å; V404-H408 PolarHBondContact O-N 2.92Å; A405-H408 PolarHBondContact O-N 2.85Å; H408-Y410 PolarHBondContact O-N 2.83Å; H408-Q411 PolarHBondContact O-N 2.88Å; H408-L412 WeakPolarHBondContact O-CB 3.38Å; H408-L412 PolarHBondContact O-N 3.09Å
409	S	98.2	Very high	95.5	Very high	3 Å²	3	42.8 Å²	42.8	2%	0.021	23%	0.228	C	C	.	.	H	α-helix	trans	-63.1	-42	-178.6	-56.4	0	0	0	0	112.3	P314 L315 E316 A405 L412 A413	P314-S409 WeakPolarHBondContact O-CB 3.34Å; L315-S409 WeakPolarHBondContact CA-OG 3.48Å; E316-S409 PolarHBondContact N-OG 3.27Å; E316-S409 PolarHBondContact O-OG 2.88Å; A405-S409 VanDerWaalsContact O-CB 3.22Å; A405-S409 WeakPolarHBondContact O-CB 3.41Å; A405-S409 PolarHBondContact O-N 3.22Å; A405-S409 PolarHBondContact O-OG 3.09Å; S409-L412 PolarHBondContact O-N 3.32Å; S409-A413 VanDerWaalsContact O-CB 3.25Å; S409-A413 WeakPolarHBondContact O-CB 3.49Å; S409-A413 PolarHBondContact O-N 3.47Å
410	Y	97.4	Very high	95.4	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-67.6	-38.4	176.1	-88.7	-116	0	0	0	111.9	V313 L315 W330 Y331 I362 V406 H408 K414 V415 I417	V313-Y410 HydrophobicContact CB-CD2 4.06Å; V313-Y410 HydrophobicContact CB-CE2 3.66Å; V313-Y410 HydrophobicContact CG1-CD2 3.67Å; V313-Y410 HydrophobicContact CG1-CE2 3.78Å; V313-Y410 HydrophobicContact CG1-CG 4.38Å; V313-Y410 HydrophobicContact CG2-CD2 4.21Å; V313-Y410 HydrophobicContact CG2-CE1 4.24Å; V313-Y410 HydrophobicContact CG2-CE2 3.88Å; V313-Y410 HydrophobicContact CG2-CG 4.49Å; L315-Y410 HydrophobicContact CD2-CE2 4.39Å; W330-Y410 PolarHBondContact O-OH 3.19Å; Y331-Y410 PolarHBondContact O-OH 2.93Å; I362-Y410 HydrophobicContact CD1-CE1 4.21Å; I362-Y410 HydrophobicContact CD1-CE2 3.84Å; V406-Y410 WeakPolarHBondContact O-CB 3.28Å; V406-Y410 VanDerWaalsContact O-CD2 3.32Å; V406-Y410 WeakPolarHBondContact O-CD2 3.2Å; V406-Y410 PolarHBondContact O-N 3.17Å; V406-Y410 VanDerWaalsContact O-N 3.16Å; H408-Y410 PolarHBondContact O-N 2.83Å; Y410-K414 PolarHBondContact O-N 3.13Å; Y410-V415 HydrophobicContact CD1-CB 3.68Å; Y410-V415 HydrophobicContact CD1-CG1 3.48Å; Y410-V415 VanDerWaalsContact CD1-CG1 3.48Å; Y410-V415 HydrophobicContact CE1-CB 4.21Å; Y410-V415 HydrophobicContact CE1-CG1 3.59Å; Y410-V415 HydrophobicContact CG-CB 4.32Å; Y410-V415 PolarHBondContact O-N 3.36Å; Y410-I417 HydrophobicContact CD1-CB 3.84Å; Y410-I417 HydrophobicContact CD1-CD1 3.82Å; Y410-I417 HydrophobicContact CD1-CG1 4.29Å; Y410-I417 HydrophobicContact CD1-CG2 4.43Å; Y410-I417 HydrophobicContact CD2-CD1 4.13Å; Y410-I417 HydrophobicContact CE1-CD1 4.34Å; Y410-I417 HydrophobicContact CG-CB 4.17Å; Y410-I417 HydrophobicContact CG-CD1 3.71Å; Y410-I417 HydrophobicContact CG-CG2 4.34Å
411	Q	93.9	Very high	95.3	Very high	129 Å²	129	44 Å²	44	60%	0.603	23%	0.227	S	C	*	.	H	α-helix	trans	-63.7	-45.2	174	-72.3	168.5	8.7	0	0	111.9	L407 H408 K414	L407-Q411 WeakPolarHBondContact O-CB 3.31Å; L407-Q411 WeakPolarHBondContact O-CG 3.39Å; L407-Q411 PolarHBondContact O-N 3.25Å; H408-Q411 PolarHBondContact O-N 2.88Å; Q411-K414 PolarHBondContact O-N 2.79Å
412	L	94.1	Very high	95	Very high	101 Å²	101	43.8 Å²	43.8	53%	0.529	23%	0.233	S	C	.	.	H	α-helix	trans	-62.5	-44.7	177.3	-177.2	64.6	0	0	0	111.9	E316 H408 S409 K414	E316-L412 WeakPolarHBondContact OE1-CD2 3.44Å; H408-L412 WeakPolarHBondContact O-CB 3.38Å; H408-L412 PolarHBondContact O-N 3.09Å; S409-L412 PolarHBondContact O-N 3.32Å; L412-K414 PolarHBondContact O-N 2.83Å
413	A	90.3	Very high	94.7	Very high	48 Å²	48	44 Å²	44	40%	0.397	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.9	-4.6	174.3	0	0	0	0	0	113.9	V313 S409 V415	V313-A413 HydrophobicContact CG1-CB 3.96Å; V313-A413 HydrophobicContact CG2-CB 4.17Å; S409-A413 VanDerWaalsContact O-CB 3.25Å; S409-A413 WeakPolarHBondContact O-CB 3.49Å; S409-A413 PolarHBondContact O-N 3.47Å; A413-V415 VanDerWaalsContact C-N 3.26Å; A413-V415 HydrophobicContact CB-CG2 3.94Å; A413-V415 PolarHBondContact O-N 2.81Å
414	K	92.1	Very high	94.6	Very high	172 Å²	172	43.6 Å²	43.6	75%	0.748	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.2	35.8	-178	-55.8	175.2	-174.4	174.3	0	113.1	Y410 Q411 L412	Y410-K414 PolarHBondContact O-N 3.13Å; Q411-K414 PolarHBondContact O-N 2.79Å; L412-K414 PolarHBondContact O-N 2.83Å
415	V	91.7	Very high	94.3	Very high	8 Å²	8	43.6 Å²	43.6	5%	0.048	24%	0.239	C	C	.	.			trans	-97.6	136.2	177.9	-177	0	0	0	0	110.5	G222 L224 L311 V313 A332 Y410 A413 I417	G222-V415 CarbonylContact O-C 3.48Å; G222-V415 VanDerWaalsContact O-CA 3.31Å; G222-V415 WeakPolarHBondContact O-CA 3.34Å; L224-V415 HydrophobicContact CD1-CG1 4.34Å; L224-V415 HydrophobicContact CG-CG1 4.45Å; L311-V415 HydrophobicContact CD2-CG2 3.89Å; V313-V415 HydrophobicContact CG2-CB 4.3Å; V313-V415 HydrophobicContact CG2-CG2 3.75Å; A332-V415 HydrophobicContact CB-CG1 3.61Å; Y410-V415 HydrophobicContact CD1-CB 3.68Å; Y410-V415 HydrophobicContact CD1-CG1 3.48Å; Y410-V415 VanDerWaalsContact CD1-CG1 3.48Å; Y410-V415 HydrophobicContact CE1-CB 4.21Å; Y410-V415 HydrophobicContact CE1-CG1 3.59Å; Y410-V415 HydrophobicContact CG-CB 4.32Å; Y410-V415 PolarHBondContact O-N 3.36Å; A413-V415 VanDerWaalsContact C-N 3.26Å; A413-V415 HydrophobicContact CB-CG2 3.94Å; A413-V415 PolarHBondContact O-N 2.81Å; V415-I417 PolarHBondContact O-N 2.93Å
416	T	90.3	Very high	94	Very high	41 Å²	41	45.2 Å²	45.2	25%	0.252	25%	0.25	S	C	.	.			trans	-66.7	119.9	179.9	-54.5	0	0	0	0	111.1	G222 N223 L224 W356	G222-T416 PolarHBondContact O-N 3.3Å; G222-T416 PolarHBondContact O-OG1 3Å; N223-T416 WeakPolarHBondContact CA-OG1 3.35Å; L224-T416 WeakPolarHBondContact CD1-O 3.45Å; L224-T416 PolarHBondContact N-OG1 3.06Å; W356-T416 HydrophobicContact CB-CG2 3.96Å; W356-T416 HydrophobicContact CD2-CG2 4.31Å; W356-T416 HydrophobicContact CG-CG2 3.92Å
417	I	94.2	Very high	93.8	Very high	28 Å²	28	45.2 Å²	45.2	14%	0.144	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	158.4	173.3	-162.9	164.2	0	0	0	108.3	Y357 I362 V406 L407 Y410 V415	Y357-I417 WeakPolarHBondContact O-CG1 3.31Å; I362-I417 HydrophobicContact CD1-CD1 4.23Å; V406-I417 HydrophobicContact CG1-CD1 3.59Å; L407-I417 HydrophobicContact CD2-CG1 4.47Å; L407-I417 HydrophobicContact CD2-CG2 4.01Å; Y410-I417 HydrophobicContact CD1-CB 3.84Å; Y410-I417 HydrophobicContact CD1-CD1 3.82Å; Y410-I417 HydrophobicContact CD1-CG1 4.29Å; Y410-I417 HydrophobicContact CD1-CG2 4.43Å; Y410-I417 HydrophobicContact CD2-CD1 4.13Å; Y410-I417 HydrophobicContact CE1-CD1 4.34Å; Y410-I417 HydrophobicContact CG-CB 4.17Å; Y410-I417 HydrophobicContact CG-CD1 3.71Å; Y410-I417 HydrophobicContact CG-CG2 4.34Å; V415-I417 PolarHBondContact O-N 2.93Å
418	V	92.2	Very high	93.7	Very high	34 Å²	34	45 Å²	45	21%	0.206	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	144.9	172.4	69.6	0	0	0	0	110.2	Y357 M358 S359 A422 A423	Y357-V418 PolarHBondContact O-N 2.92Å; M358-V418 CarbonylContact C-O 3.58Å; M358-V418 VanDerWaalsContact CA-O 3.27Å; M358-V418 WeakPolarHBondContact CA-O 3.36Å; M358-V418 HydrophobicContact CB-CG1 4.14Å; S359-V418 PolarHBondContact N-O 3.34Å; V418-A422 HydrophobicContact CG2-CB 3.88Å; V418-A423 HydrophobicContact CG1-CB 3.96Å; V418-A423 HydrophobicContact CG2-CB 4.27Å
419	D	94.3	Very high	93.4	Very high	53 Å²	53	46.3 Å²	46.3	28%	0.283	25%	0.253	S	S	.	.			trans	-77.6	169.3	169.4	70.7	90.3	0	0	0	111.2	L407 H421 A422 A423	L407-D419 HydrophobicContact CD1-CB 4.19Å; L407-D419 HydrophobicContact CD2-CB 4.29Å; D419-H421 WeakPolarHBondContact OD1-CA 3.35Å; D419-H421 WeakPolarHBondContact OD1-CB 3.43Å; D419-H421 PolarHBondContact OD1-N 3.21Å; D419-A422 PolarHBondContact OD1-N 2.97Å; D419-A422 WeakPolarHBondContact OD2-CB 3.39Å; D419-A423 WeakPolarHBondContact O-CB 3.18Å; D419-A423 PolarHBondContact O-N 3.42Å; D419-A423 VanDerWaalsContact O-N 3.07Å
420	H	94.6	Very high	93.2	Very high	21 Å²	21	46.3 Å²	46.3	10%	0.097	25%	0.253	C	S	.	.	H	α-helix	trans	-78.9	-22.1	-175.4	55.6	-84.5	0	0	0	114.2	M358 T360 T424 P450 S453	M358-H420 HydrophobicContact CG-CB 4.19Å; M358-H420 HydrophobicContact SD-CB 3.76Å; T360-H420 HydrophobicContact CG2-CB 3.87Å; T360-H420 WeakPolarHBondContact CG2-ND1 3.43Å; H420-T424 WeakPolarHBondContact O-CB 3.29Å; H420-T424 WeakPolarHBondContact O-CG2 3.14Å; H420-T424 PolarHBondContact O-N 3.36Å; H420-T424 PolarHBondContact O-OG1 2.86Å; H420-P450 HydrophobicContact CB-CB 3.75Å; H420-P450 HydrophobicContact CB-CG 4.05Å; H420-S453 WeakPolarHBondContact NE2-CB 3.25Å
421	H	94.5	Very high	93	Very high	81 Å²	81	47.3 Å²	47.3	38%	0.375	26%	0.258	S	S	.	.	H	α-helix	trans	-75.7	-46.7	174.5	-64.5	-87	0	0	0	110.5	D419 A423 T424 A425 L456	D419-H421 WeakPolarHBondContact OD1-CA 3.35Å; D419-H421 WeakPolarHBondContact OD1-CB 3.43Å; D419-H421 PolarHBondContact OD1-N 3.21Å; H421-A423 PolarHBondContact O-N 2.82Å; H421-T424 PolarHBondContact O-N 3.33Å; H421-T424 PolarHBondContact O-OG1 2.96Å; H421-T424 VanDerWaalsContact O-OG1 3.12Å; H421-A425 WeakPolarHBondContact O-CB 3.12Å; H421-A425 PolarHBondContact O-N 3.33Å; H421-L456 PolarHBondContact CE1-O 3.32Å; H421-L456 PolarHBondContact ND1-O 3.14Å
422	A	91.5	Very high	92.8	Very high	44 Å²	44	45.9 Å²	45.9	36%	0.364	25%	0.251	S	S	.	.	H	α-helix	trans	-64.2	-40.7	175.6	0	0	0	0	0	112.2	V418 D419 T424 S426	V418-A422 HydrophobicContact CG2-CB 3.88Å; D419-A422 PolarHBondContact OD1-N 2.97Å; D419-A422 WeakPolarHBondContact OD2-CB 3.39Å; A422-T424 PolarHBondContact O-N 2.84Å; A422-S426 WeakPolarHBondContact O-CB 3.17Å; A422-S426 PolarHBondContact O-N 2.96Å
423	A	91.8	Very high	92.6	Very high	5 Å²	5	44.7 Å²	44.7	4%	0.041	25%	0.246	C	C	.	.	H	α-helix	trans	-61.9	-42.7	176.2	0	0	0	0	0	112.6	V185 M358 V418 D419 H421 F427	V185-A423 HydrophobicContact CG1-CB 4.47Å; V185-A423 HydrophobicContact CG2-CB 4.42Å; M358-A423 HydrophobicContact CG-CB 4.3Å; M358-A423 HydrophobicContact SD-CB 3.83Å; V418-A423 HydrophobicContact CG1-CB 3.96Å; V418-A423 HydrophobicContact CG2-CB 4.27Å; D419-A423 WeakPolarHBondContact O-CB 3.18Å; D419-A423 PolarHBondContact O-N 3.42Å; D419-A423 VanDerWaalsContact O-N 3.07Å; H421-A423 PolarHBondContact O-N 2.82Å; A423-F427 PolarHBondContact O-N 3.34Å
424	T	95	Very high	92.7	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-77	-36.2	-178.1	53.6	0	0	0	0	112.9	H420 H421 A422 S426 F427 M428 P450 T457 V459	H420-T424 WeakPolarHBondContact O-CB 3.29Å; H420-T424 WeakPolarHBondContact O-CG2 3.14Å; H420-T424 PolarHBondContact O-N 3.36Å; H420-T424 PolarHBondContact O-OG1 2.86Å; H421-T424 PolarHBondContact O-N 3.33Å; H421-T424 PolarHBondContact O-OG1 2.96Å; H421-T424 VanDerWaalsContact O-OG1 3.12Å; A422-T424 PolarHBondContact O-N 2.84Å; T424-S426 VanDerWaalsContact C-N 3.33Å; T424-S426 PolarHBondContact O-N 3.03Å; T424-F427 WeakPolarHBondContact O-CB 3.46Å; T424-F427 PolarHBondContact O-N 3.12Å; T424-M428 WeakPolarHBondContact O-CG 3.42Å; T424-M428 PolarHBondContact O-N 2.9Å; T424-P450 HydrophobicContact CG2-CG 4.35Å; T424-T457 HydrophobicContact CG2-CG2 4.44Å; T424-T457 WeakPolarHBondContact OG1-CB 3.21Å; T424-V459 HydrophobicContact CG2-CB 4.36Å; T424-V459 HydrophobicContact CG2-CG1 4.05Å; T424-V459 HydrophobicContact CG2-CG2 3.38Å
425	A	91.8	Very high	92.6	Very high	53 Å²	53	36.5 Å²	36.5	44%	0.438	20%	0.202	S	C	.	.	H	α-helix	trans	-61.5	-42.3	169.9	0	0	0	0	0	111.7	H421 F427 M428 K429	H421-A425 WeakPolarHBondContact O-CB 3.12Å; H421-A425 PolarHBondContact O-N 3.33Å; A425-F427 VanDerWaalsContact C-N 3.35Å; A425-F427 PolarHBondContact O-N 3.36Å; A425-M428 PolarHBondContact O-N 3.44Å; A425-K429 PolarHBondContact O-N 2.85Å
426	S	91.7	Very high	92.4	Very high	34 Å²	34	43.3 Å²	43.3	24%	0.238	23%	0.231	C	C	.	.	H	α-helix	trans	-61.9	-39.7	174.2	-172	0	0	0	0	112.5	I188 A422 T424 K429 H430	I188-S426 WeakPolarHBondContact CG2-OG 3.47Å; A422-S426 WeakPolarHBondContact O-CB 3.17Å; A422-S426 PolarHBondContact O-N 2.96Å; T424-S426 VanDerWaalsContact C-N 3.33Å; T424-S426 PolarHBondContact O-N 3.03Å; S426-K429 PolarHBondContact O-N 3.36Å; S426-H430 PolarHBondContact O-N 3.31Å; S426-H430 VanDerWaalsContact O-N 3.15Å
427	F	95.1	Very high	92.2	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-62.3	-43.1	172.2	175.6	-83.2	0	0	0	112.7	V185 A423 T424 A425 K429 H430 L431 A443 I448 V459 M464	V185-F427 HydrophobicContact CG2-CB 3.75Å; V185-F427 HydrophobicContact CG2-CD2 4.19Å; V185-F427 HydrophobicContact CG2-CG 4.22Å; A423-F427 PolarHBondContact O-N 3.34Å; T424-F427 WeakPolarHBondContact O-CB 3.46Å; T424-F427 PolarHBondContact O-N 3.12Å; A425-F427 VanDerWaalsContact C-N 3.35Å; A425-F427 PolarHBondContact O-N 3.36Å; F427-K429 VanDerWaalsContact C-N 3.29Å; F427-K429 PolarHBondContact O-N 3.03Å; F427-H430 CarbonylContact O-C 3.44Å; F427-H430 WeakPolarHBondContact O-CA 3.27Å; F427-H430 WeakPolarHBondContact O-CB 2.8Å; F427-H430 PolarHBondContact O-N 3.13Å; F427-L431 HydrophobicContact CE1-CB 4.29Å; F427-L431 HydrophobicContact CE1-CD2 4.46Å; F427-L431 PolarHBondContact O-N 2.91Å; F427-A443 HydrophobicContact CE2-CB 4.5Å; F427-A443 HydrophobicContact CZ-CB 3.8Å; F427-I448 HydrophobicContact CD1-CG2 4.04Å; F427-I448 HydrophobicContact CD2-CD1 4.13Å; F427-I448 HydrophobicContact CD2-CG2 4.07Å; F427-I448 HydrophobicContact CE1-CG2 3.93Å; F427-I448 HydrophobicContact CE2-CD1 3.74Å; F427-I448 HydrophobicContact CE2-CG1 4.07Å; F427-I448 HydrophobicContact CE2-CG2 3.91Å; F427-I448 HydrophobicContact CG-CG2 4.11Å; F427-I448 HydrophobicContact CZ-CD1 4.46Å; F427-I448 HydrophobicContact CZ-CG1 4.3Å; F427-I448 HydrophobicContact CZ-CG2 3.85Å; F427-V459 HydrophobicContact CB-CG1 4.45Å; F427-V459 HydrophobicContact CD1-CG1 3.56Å; F427-V459 HydrophobicContact CE1-CG1 4.19Å; F427-V459 HydrophobicContact CG-CG1 4.27Å; F427-M464 HydrophobicContact CD1-CE 4.44Å; F427-M464 HydrophobicContact CE1-CE 3.64Å; F427-M464 HydrophobicContact CE1-SD 4.08Å; F427-M464 HydrophobicContact CZ-CE 4.28Å; F427-M464 HydrophobicContact CZ-SD 4.13Å
428	M	94.8	Very high	92	Very high	35 Å²	35	45.8 Å²	45.8	17%	0.172	25%	0.249	C	C	.	.	H	α-helix	trans	-61.8	-37.5	179.4	-69.6	-60.7	-70.6	0	0	112.1	T424 A425 L431 E432 P458 V459 Q462	T424-M428 WeakPolarHBondContact O-CG 3.42Å; T424-M428 PolarHBondContact O-N 2.9Å; A425-M428 PolarHBondContact O-N 3.44Å; M428-L431 HydrophobicContact CE-CD2 4.27Å; M428-L431 WeakPolarHBondContact O-CB 3.43Å; M428-L431 PolarHBondContact O-N 3.44Å; M428-L431 HydrophobicContact SD-CD2 4.08Å; M428-E432 PolarHBondContact O-N 3.17Å; M428-P458 HydrophobicContact CG-CB 3.97Å; M428-P458 HydrophobicContact CG-CG 3.81Å; M428-V459 HydrophobicContact CG-CG1 4.08Å; M428-V459 HydrophobicContact SD-CG1 3.92Å; M428-Q462 HydrophobicContact CE-CB 3.9Å; M428-Q462 HydrophobicContact CE-CG 3.92Å; M428-Q462 HydrophobicContact SD-CB 4.05Å; M428-Q462 HydrophobicContact SD-CG 4.1Å
429	K	92.1	Very high	91.9	Very high	82 Å²	82	44.9 Å²	44.9	36%	0.357	25%	0.246	S	C	.	.	H	α-helix	trans	-64.8	-37	172.2	-171.2	174.9	-173.9	173.4	0	112.6	I188 A425 S426 F427 N433 D637	I188-K429 HydrophobicContact CD1-CB 4.29Å; I188-K429 HydrophobicContact CD1-CD 4.31Å; I188-K429 HydrophobicContact CD1-CG 4.27Å; A425-K429 PolarHBondContact O-N 2.85Å; S426-K429 PolarHBondContact O-N 3.36Å; F427-K429 VanDerWaalsContact C-N 3.29Å; F427-K429 PolarHBondContact O-N 3.03Å; K429-N433 WeakPolarHBondContact O-CB 3.37Å; K429-N433 PolarHBondContact O-N 3.22Å; K429-N433 VanDerWaalsContact O-N 3.09Å; K429-N433 PolarHBondContact O-ND2 3.21Å; K429-D637 IonicContact NZ-OD1 2.7Å; K429-D637 PolarHBondContact NZ-OD1 2.94Å; K429-D637 IonicContact NZ-OD2 2.74Å; K429-D637 PolarHBondContact NZ-OD2 3.31Å
430	H	93.1	Very high	91.8	Very high	3 Å²	3	42.3 Å²	42.3	1%	0.014	23%	0.232	C	C	.	.	H	α-helix	trans	-66.3	-44.8	171.8	170.7	72.9	0	0	0	112.1	R187 I188 S426 F427 E432 N433 E434	R187-H430 PolarHBondContact NE-CD2 2.86Å; R187-H430 PolarHBondContact NE-NE2 3.18Å; I188-H430 HydrophobicContact CB-CB 4Å; I188-H430 HydrophobicContact CD1-CB 4.36Å; I188-H430 HydrophobicContact CG1-CB 4.14Å; S426-H430 PolarHBondContact O-N 3.31Å; S426-H430 VanDerWaalsContact O-N 3.15Å; F427-H430 CarbonylContact O-C 3.44Å; F427-H430 WeakPolarHBondContact O-CA 3.27Å; F427-H430 WeakPolarHBondContact O-CB 2.8Å; F427-H430 PolarHBondContact O-N 3.13Å; H430-E432 VanDerWaalsContact C-N 3.34Å; H430-E432 PolarHBondContact O-N 3.05Å; H430-N433 PolarHBondContact O-N 3.03Å; H430-E434 WeakPolarHBondContact CE1-CG 3.44Å; H430-E434 IonicContact CE1-OE1 3.94Å; H430-E434 WeakPolarHBondContact O-CG 3.31Å; H430-E434 PolarHBondContact O-N 2.83Å
431	L	93.3	Very high	91.8	Very high	22 Å²	22	41.5 Å²	41.5	12%	0.115	23%	0.229	C	C	.	.	H	α-helix	trans	-56.1	-46.4	174.4	170.4	62.6	0	0	0	111.7	F427 M428 E434 Q435 C441 Q462	F427-L431 HydrophobicContact CE1-CB 4.29Å; F427-L431 HydrophobicContact CE1-CD2 4.46Å; F427-L431 PolarHBondContact O-N 2.91Å; M428-L431 HydrophobicContact CE-CD2 4.27Å; M428-L431 WeakPolarHBondContact O-CB 3.43Å; M428-L431 PolarHBondContact O-N 3.44Å; M428-L431 HydrophobicContact SD-CD2 4.08Å; L431-E434 PolarHBondContact O-N 3.01Å; L431-Q435 VanDerWaalsContact O-CB 3.31Å; L431-Q435 WeakPolarHBondContact O-CB 3.25Å; L431-Q435 PolarHBondContact O-N 3.44Å; L431-C441 HydrophobicContact CD1-CB 3.5Å; L431-Q462 HydrophobicContact CD2-CG 3.54Å
432	E	90.6	Very high	91.7	Very high	98 Å²	98	37.6 Å²	37.6	46%	0.458	21%	0.211	S	C	.	.	H	α-helix	trans	-60.7	-45.7	176.8	-167.4	-164.5	158.4	0	0	112.1	M428 H430 Q435 K436	M428-E432 PolarHBondContact O-N 3.17Å; H430-E432 VanDerWaalsContact C-N 3.34Å; H430-E432 PolarHBondContact O-N 3.05Å; E432-Q435 PolarHBondContact O-N 2.99Å; E432-K436 HydrophobicContact CG-CD 4.36Å; E432-K436 WeakPolarHBondContact O-CB 3.3Å; E432-K436 WeakPolarHBondContact O-CG 3.41Å; E432-K436 PolarHBondContact O-N 2.94Å; E432-K436 WeakPolarHBondContact OE1-CE 3.2Å; E432-K436 IonicContact OE1-NZ 3.68Å; E432-K436 PolarHBondContact OE1-NZ 3.12Å
433	N	90.1	Very high	91.7	Very high	77 Å²	77	35.6 Å²	35.6	41%	0.412	19%	0.194	S	C	.	.	H	α-helix	trans	-63.3	-41	177.8	-73.4	-19.4	0	0	0	112.3	K429 H430 K436 A437	K429-N433 WeakPolarHBondContact O-CB 3.37Å; K429-N433 PolarHBondContact O-N 3.22Å; K429-N433 VanDerWaalsContact O-N 3.09Å; K429-N433 PolarHBondContact O-ND2 3.21Å; H430-N433 PolarHBondContact O-N 3.03Å; N433-K436 PolarHBondContact O-N 3.36Å; N433-A437 WeakPolarHBondContact O-CB 3.38Å; N433-A437 PolarHBondContact O-N 3.41Å
434	E	92.5	Very high	91.6	Very high	5 Å²	5	35.5 Å²	35.5	2%	0.023	19%	0.193	C	C	.	.	H	α-helix	trans	-72.5	-37.3	178	-65.8	-63.1	126.6	0	0	112.2	R179 H430 L431 K436 A437 R438 G439 G440 C441	R179-E434 IonicContact CZ-OE1 2.75Å; R179-E434 VanDerWaalsContact CZ-OE1 3.25Å; R179-E434 IonicContact CZ-OE2 3.29Å; R179-E434 VanDerWaalsContact NE-CD 3.29Å; R179-E434 IonicContact NE-OE1 3.96Å; R179-E434 PolarHBondContact NE-OE1 3.38Å; R179-E434 IonicContact NE-OE2 3.57Å; R179-E434 PolarHBondContact NE-OE2 3.02Å; R179-E434 IonicContact NH2-OE1 3.47Å; R179-E434 PolarHBondContact NH2-OE1 2.84Å; R179-E434 IonicContact NH2-OE2 2.91Å; R179-E434 PolarHBondContact NH2-OE2 2.74Å; H430-E434 WeakPolarHBondContact CE1-CG 3.44Å; H430-E434 IonicContact CE1-OE1 3.94Å; H430-E434 WeakPolarHBondContact O-CG 3.31Å; H430-E434 PolarHBondContact O-N 2.83Å; L431-E434 PolarHBondContact O-N 3.01Å; E434-K436 VanDerWaalsContact C-N 3.27Å; E434-K436 PolarHBondContact O-N 3.38Å; E434-A437 PolarHBondContact O-N 2.84Å; E434-R438 WeakPolarHBondContact O-CA 3.35Å; E434-R438 PolarHBondContact O-N 3.21Å; E434-R438 IonicContact OE2-CZ 2.74Å; E434-R438 IonicContact OE2-NE 3.01Å; E434-R438 PolarHBondContact OE2-NE 3.07Å; E434-R438 IonicContact OE2-NH2 3.95Å; E434-R438 PolarHBondContact OE2-NH2 3.25Å; E434-G439 PolarHBondContact O-N 2.93Å; E434-G440 CarbonylContact C-O 3.58Å; E434-G440 WeakPolarHBondContact CB-O 3.37Å; E434-C441 HydrophobicContact CB-CB 3.89Å
435	Q	89.3	Confident	91.4	Very high	42 Å²	42	40.3 Å²	40.3	20%	0.196	21%	0.211	C	C	.	.	H	α-helix	trans	-60.4	-37.5	171.2	-177.4	69.3	78	0	0	111.6	T80 Y81 L431 E432 G439	T80-Q435 VanDerWaalsContact CB-OE1 3.28Å; T80-Q435 HydrophobicContact CG2-CG 4.07Å; T80-Q435 PolarHBondContact OG1-OE1 3.16Å; Y81-Q435 PolarHBondContact O-NE2 2.95Å; L431-Q435 VanDerWaalsContact O-CB 3.31Å; L431-Q435 WeakPolarHBondContact O-CB 3.25Å; L431-Q435 PolarHBondContact O-N 3.44Å; E432-Q435 PolarHBondContact O-N 2.99Å; Q435-G439 PolarHBondContact NE2-O 3.3Å; Q435-G439 VanDerWaalsContact O-CA 3.26Å; Q435-G439 WeakPolarHBondContact O-CA 3.38Å; Q435-G439 PolarHBondContact O-N 2.81Å
436	K	87.5	Confident	91.2	Very high	151 Å²	151	38.8 Å²	38.8	66%	0.657	20%	0.199	S	C	*	.	H	α-helix	trans	-73.9	-40.4	175	-75.2	170.1	171.1	175	0	113.5	E432 N433 E434	E432-K436 HydrophobicContact CG-CD 4.36Å; E432-K436 WeakPolarHBondContact O-CB 3.3Å; E432-K436 WeakPolarHBondContact O-CG 3.41Å; E432-K436 PolarHBondContact O-N 2.94Å; E432-K436 WeakPolarHBondContact OE1-CE 3.2Å; E432-K436 IonicContact OE1-NZ 3.68Å; E432-K436 PolarHBondContact OE1-NZ 3.12Å; N433-K436 PolarHBondContact O-N 3.36Å; E434-K436 VanDerWaalsContact C-N 3.27Å; E434-K436 PolarHBondContact O-N 3.38Å
437	A	85.8	Confident	91	Very high	71 Å²	71	39.5 Å²	39.5	59%	0.587	20%	0.196	S	C	*	.	H	α-helix	trans	-92	-26	-171.5	0	0	0	0	0	114.8	N433 E434	N433-A437 WeakPolarHBondContact O-CB 3.38Å; N433-A437 PolarHBondContact O-N 3.41Å; E434-A437 PolarHBondContact O-N 2.84Å
438	R	91	Very high	90.9	Very high	51 Å²	51	39.5 Å²	39.5	19%	0.192	20%	0.196	C	C	.	.	H	α-helix	trans	-133.6	-4.8	-177.2	-65	-159.8	-70.9	166.6	-4.7	114.4	L84 N180 E434	L84-R438 HydrophobicContact CD1-CB 4.22Å; L84-R438 HydrophobicContact CD2-CB 3.85Å; N180-R438 PolarHBondContact OD1-NH1 3.09Å; N180-R438 PolarHBondContact OD1-NH2 3.37Å; E434-R438 WeakPolarHBondContact O-CA 3.35Å; E434-R438 PolarHBondContact O-N 3.21Å; E434-R438 IonicContact OE2-CZ 2.74Å; E434-R438 IonicContact OE2-NE 3.01Å; E434-R438 PolarHBondContact OE2-NE 3.07Å; E434-R438 IonicContact OE2-NH2 3.95Å; E434-R438 PolarHBondContact OE2-NH2 3.25Å
439	G	90.3	Very high	90.9	Very high	14 Å²	14	38.6 Å²	38.6	14%	0.144	19%	0.192	C	C	.	.	S	Bend	trans	80.7	11.8	178.2	0	0	0	0	0	115.1	D82 T83 E434 Q435	D82-G439 CarbonylContact C-O 3.59Å; D82-G439 WeakPolarHBondContact CA-O 3.45Å; T83-G439 PolarHBondContact N-O 3.29Å; T83-G439 WeakPolarHBondContact OG1-CA 3.44Å; T83-G439 PolarHBondContact OG1-O 3.04Å; E434-G439 PolarHBondContact O-N 2.93Å; Q435-G439 PolarHBondContact NE2-O 3.3Å; Q435-G439 VanDerWaalsContact O-CA 3.26Å; Q435-G439 WeakPolarHBondContact O-CA 3.38Å; Q435-G439 PolarHBondContact O-N 2.81Å
440	G	92.2	Very high	91	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	18%	0.177	C	C	.	.			trans	175.7	178.6	178.5	0	0	0	0	0	112.8	D82 L84 E434	D82-G440 VanDerWaalsContact CG-CA 3.44Å; D82-G440 VanDerWaalsContact OD2-CA 3.25Å; D82-G440 WeakPolarHBondContact OD2-CA 3.46Å; L84-G440 WeakPolarHBondContact CD2-O 3.36Å; E434-G440 CarbonylContact C-O 3.58Å; E434-G440 WeakPolarHBondContact CB-O 3.37Å
441	C	93.8	Very high	90.9	Very high	3 Å²	3	37.7 Å²	37.7	2%	0.02	20%	0.195	C	C	.	.			trans	-155.9	118.6	179.2	-163.2	0	0	0	0	112.4	D82 R187 L431 E434 A443 Y467	D82-C441 PolarHBondContact OD2-N 2.76Å; R187-C441 PolarHBondContact NH2-SG 3.39Å; L431-C441 HydrophobicContact CD1-CB 3.5Å; E434-C441 HydrophobicContact CB-CB 3.89Å; C441-A443 PolarHBondContact O-N 2.99Å; C441-Y467 PolarHBondContact N-OH 2.92Å
442	P	92.3	Very high	90.9	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	20%	0.196	C	C	.	.	B	Isolated β-bridge	trans	-68.5	124.6	-179.4	27.5	-34.1	0	0	0	110.8	N180 P182 R187 Y467 L469	N180-P442 WeakPolarHBondContact O-CG 3.29Å; P182-P442 WeakPolarHBondContact CA-O 3.11Å; P182-P442 HydrophobicContact CB-CB 4.32Å; R187-P442 PolarHBondContact NH1-O 3.08Å; R187-P442 PolarHBondContact NH2-O 2.7Å; P442-Y467 HydrophobicContact CB-CD1 4.18Å; P442-Y467 HydrophobicContact CB-CD2 4.01Å; P442-Y467 HydrophobicContact CB-CE1 4.01Å; P442-Y467 HydrophobicContact CB-CE2 3.81Å; P442-Y467 HydrophobicContact CB-CG 4.2Å; P442-Y467 VanDerWaalsContact CB-O 3.28Å; P442-Y467 WeakPolarHBondContact CB-O 3.22Å; P442-Y467 HydrophobicContact CG-CE2 4.27Å; P442-L469 HydrophobicContact CG-CD1 4.3Å
443	A	91.9	Very high	91.1	Very high	1 Å²	1	35.1 Å²	35.1	1%	0.008	19%	0.188	C	C	.	.			trans	-150.8	135.6	-177.2	0	0	0	0	0	113.3	F427 C441 M464 V465 N466	F427-A443 HydrophobicContact CE2-CB 4.5Å; F427-A443 HydrophobicContact CZ-CB 3.8Å; C441-A443 PolarHBondContact O-N 2.99Å; A443-M464 HydrophobicContact CB-CB 4.04Å; A443-M464 HydrophobicContact CB-CG 4.17Å; A443-M464 HydrophobicContact CB-SD 3.67Å; A443-V465 PolarHBondContact N-O 2.74Å; A443-V465 CarbonylContact O-C 3.35Å; A443-N466 WeakPolarHBondContact O-CA 3.34Å; A443-N466 WeakPolarHBondContact O-CB 3.42Å; A443-N466 PolarHBondContact O-N 3.22Å
444	D	89.6	Confident	91.3	Very high	4 Å²	4	32 Å²	32	2%	0.021	17%	0.174	C	C	.	.			trans	-98.3	94.1	176.6	-166.2	-6.3	0	0	0	110.1	P182 R183 A446 W447 I448 N466	P182-D444 PolarHBondContact O-N 2.87Å; R183-D444 HydrophobicContact CG-CB 3.83Å; R183-D444 IonicContact CZ-OD2 2.92Å; R183-D444 IonicContact NE-OD2 2.72Å; R183-D444 PolarHBondContact NE-OD2 3.49Å; R183-D444 IonicContact NH2-OD2 3.23Å; R183-D444 PolarHBondContact NH2-OD2 2.83Å; D444-A446 PolarHBondContact O-N 2.84Å; D444-A446 VanDerWaalsContact O-N 3.17Å; D444-W447 HydrophobicContact CB-CB 4.21Å; D444-W447 WeakPolarHBondContact O-CA 3.42Å; D444-W447 PolarHBondContact O-N 3.46Å; D444-I448 WeakPolarHBondContact O-CG1 3.12Å; D444-I448 PolarHBondContact O-N 3.07Å; D444-N466 WeakPolarHBondContact CB-ND2 3.46Å; D444-N466 PolarHBondContact OD1-ND2 3.38Å; D444-N466 PolarHBondContact OD2-ND2 3.47Å; D444-N466 VanDerWaalsContact OD2-ND2 3.15Å
445	W	90.5	Very high	91.4	Very high	101 Å²	101	35 Å²	35	38%	0.383	20%	0.195	S	C	.	.	H	α-helix	trans	-50.1	-42.7	-175.6	-173.5	96.2	0	0	0	112.6	W447 I448 V449 V459 F460 M464	W445-W447 PolarHBondContact O-N 2.8Å; W445-W447 VanDerWaalsContact O-N 3.1Å; W445-I448 PolarHBondContact O-N 2.73Å; W445-V449 HydrophobicContact CD2-CG2 3.78Å; W445-V449 HydrophobicContact CE3-CG2 4.3Å; W445-V449 HydrophobicContact CG-CG2 4.11Å; W445-V449 HydrophobicContact CH2-CG2 4.4Å; W445-V449 HydrophobicContact CZ2-CG2 3.9Å; W445-V449 WeakPolarHBondContact O-CB 3.4Å; W445-V449 WeakPolarHBondContact O-CG2 3.43Å; W445-V449 PolarHBondContact O-N 2.81Å; W445-V459 PolarHBondContact NE1-O 2.98Å; W445-F460 HydrophobicContact CH2-CD2 4.06Å; W445-F460 AromaticContact CH2-CE2 3.99Å; W445-F460 HydrophobicContact CH2-CE2 3.99Å; W445-F460 AromaticContact CZ2-CD2 3.74Å; W445-F460 HydrophobicContact CZ2-CD2 3.74Å; W445-F460 HydrophobicContact CZ2-CE2 4Å; W445-F460 HydrophobicContact CZ2-CG 4.15Å; W445-F460 PolarHBondContact NE1-O 3.1Å; W445-M464 HydrophobicContact CB-CB 4.38Å; W445-M464 HydrophobicContact CB-SD 4.42Å
446	A	87.3	Confident	91.6	Very high	21 Å²	21	38.8 Å²	38.8	17%	0.174	22%	0.216	C	C	.	.	H	α-helix	trans	-68.7	-7.7	-179.9	0	0	0	0	0	114.4	G101 D444	G101-A446 VanDerWaalsContact O-CB 3.3Å; G101-A446 WeakPolarHBondContact O-CB 3.39Å; D444-A446 PolarHBondContact O-N 2.84Å; D444-A446 VanDerWaalsContact O-N 3.17Å
447	W	88.8	Confident	92	Very high	48 Å²	48	31.7 Å²	31.7	18%	0.182	19%	0.186	C	C	.	.	H	α-helix	trans	-111.3	-36.6	173.7	-170.6	-82.3	0	0	0	113	V104 F105 R183 R365 D444 W445	V104-W447 HydrophobicContact CG1-CE3 3.79Å; V104-W447 HydrophobicContact CG1-CZ3 3.63Å; F105-W447 HydrophobicContact CD1-CZ3 4.44Å; F105-W447 AromaticContact CE1-CH2 3.98Å; F105-W447 HydrophobicContact CE1-CH2 3.98Å; F105-W447 AromaticContact CE1-CZ3 3.63Å; F105-W447 HydrophobicContact CE1-CZ3 3.63Å; F105-W447 HydrophobicContact CE2-CZ3 4.13Å; F105-W447 AromaticContact CZ-CH2 3.7Å; F105-W447 HydrophobicContact CZ-CH2 3.7Å; F105-W447 AromaticContact CZ-CZ3 3.45Å; F105-W447 HydrophobicContact CZ-CZ3 3.45Å; F105-W447 VanDerWaalsContact CZ-CZ3 3.45Å; R183-W447 HydrophobicContact CB-CD2 4.42Å; R183-W447 HydrophobicContact CB-CG 3.95Å; R183-W447 HydrophobicContact CG-CB 4.02Å; R183-W447 HydrophobicContact CG-CD2 4.4Å; R183-W447 HydrophobicContact CG-CG 3.89Å; R183-W447 PolarHBondContact O-NE1 2.93Å; R365-W447 PolarHBondContact NH2-O 2.75Å; D444-W447 HydrophobicContact CB-CB 4.21Å; D444-W447 WeakPolarHBondContact O-CA 3.42Å; D444-W447 PolarHBondContact O-N 3.46Å; W445-W447 PolarHBondContact O-N 2.8Å; W445-W447 VanDerWaalsContact O-N 3.1Å
448	I	92.8	Very high	92.5	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-74.2	-34.7	-178.1	-65.8	-63.2	0	0	0	112.2	V185 F427 D444 W445 V459 M464	V185-I448 HydrophobicContact CB-CD1 4.03Å; V185-I448 HydrophobicContact CG2-CG2 4.48Å; F427-I448 HydrophobicContact CD1-CG2 4.04Å; F427-I448 HydrophobicContact CD2-CD1 4.13Å; F427-I448 HydrophobicContact CD2-CG2 4.07Å; F427-I448 HydrophobicContact CE1-CG2 3.93Å; F427-I448 HydrophobicContact CE2-CD1 3.74Å; F427-I448 HydrophobicContact CE2-CG1 4.07Å; F427-I448 HydrophobicContact CE2-CG2 3.91Å; F427-I448 HydrophobicContact CG-CG2 4.11Å; F427-I448 HydrophobicContact CZ-CD1 4.46Å; F427-I448 HydrophobicContact CZ-CG1 4.3Å; F427-I448 HydrophobicContact CZ-CG2 3.85Å; D444-I448 WeakPolarHBondContact O-CG1 3.12Å; D444-I448 PolarHBondContact O-N 3.07Å; W445-I448 PolarHBondContact O-N 2.73Å; I448-V459 HydrophobicContact CG2-CB 4.21Å; I448-V459 HydrophobicContact CG2-CG1 3.98Å; I448-M464 HydrophobicContact CB-SD 4.5Å; I448-M464 HydrophobicContact CG2-CE 4.2Å; I448-M464 HydrophobicContact CG2-SD 4.3Å
449	V	93.8	Very high	92.7	Very high	16 Å²	16	27.7 Å²	27.7	10%	0.097	16%	0.16	C	C	.	.	S	Bend	trans	-68.9	129.7	171	174.8	0	0	0	0	109.3	W445 V459 F460	W445-V449 HydrophobicContact CD2-CG2 3.78Å; W445-V449 HydrophobicContact CE3-CG2 4.3Å; W445-V449 HydrophobicContact CG-CG2 4.11Å; W445-V449 HydrophobicContact CH2-CG2 4.4Å; W445-V449 HydrophobicContact CZ2-CG2 3.9Å; W445-V449 WeakPolarHBondContact O-CB 3.4Å; W445-V449 WeakPolarHBondContact O-CG2 3.43Å; W445-V449 PolarHBondContact O-N 2.81Å; V449-V459 HydrophobicContact CG2-CG2 4.13Å; V449-F460 HydrophobicContact CG1-CD2 4.02Å; V449-F460 HydrophobicContact CG2-CB 4.49Å
450	P	93.8	Very high	92.9	Very high	5 Å²	5	30.9 Å²	30.9	3%	0.032	17%	0.17	C	C	.	.			trans	-70.6	150.8	-178.7	27.8	-33.5	0	0	0	111.8	H420 T424 I452 T457	H420-P450 HydrophobicContact CB-CB 3.75Å; H420-P450 HydrophobicContact CB-CG 4.05Å; T424-P450 HydrophobicContact CG2-CG 4.35Å; P450-I452 PolarHBondContact O-N 2.81Å; P450-T457 HydrophobicContact CG-CG2 3.88Å
451	P	92.3	Very high	93.1	Very high	61 Å²	61	33.5 Å²	33.5	40%	0.396	18%	0.182	S	C	.	.	S	Bend	trans	-71.6	-11.8	-175.2	32	-39.2	0	0	0	114.3	T364 R365	T364-P451 HydrophobicContact CG2-CB 3.96Å; T364-P451 HydrophobicContact CG2-CG 3.82Å; R365-P451 HydrophobicContact CG-CG 4.19Å
452	I	93.6	Very high	93.2	Very high	26 Å²	26	34.2 Å²	34.2	13%	0.133	19%	0.185	C	C	.	.	S	Bend	trans	-131.2	148.3	176.7	-172.4	169.7	0	0	0	108.1	T360 A399 V400 P450 G454	T360-I452 HydrophobicContact CG2-CG2 3.41Å; T360-I452 VanDerWaalsContact CG2-CG2 3.41Å; A399-I452 HydrophobicContact CB-CD1 3.85Å; V400-I452 HydrophobicContact CG2-CD1 4Å; P450-I452 PolarHBondContact O-N 2.81Å; I452-G454 PolarHBondContact O-N 2.77Å
453	S	93.9	Very high	93.2	Very high	41 Å²	41	37.3 Å²	37.3	29%	0.287	20%	0.2	S	C	.	.	S	Bend	trans	54.9	20.2	-179.2	-54.9	0	0	0	0	115.6	H420 S455 L456	H420-S453 WeakPolarHBondContact NE2-CB 3.25Å; S453-S455 PolarHBondContact O-N 2.97Å; S453-L456 WeakPolarHBondContact O-CA 3.19Å; S453-L456 WeakPolarHBondContact O-CB 3.35Å; S453-L456 PolarHBondContact O-N 2.82Å
454	G	93.5	Very high	93.2	Very high	12 Å²	12	39 Å²	39	12%	0.124	21%	0.208	C	C	.	.	G	3₁₀ helix	trans	-51.5	-48.1	-171.4	0	0	0	0	0	114.6	I452 L456 T457 F460	I452-G454 PolarHBondContact O-N 2.77Å; G454-L456 PolarHBondContact O-N 2.92Å; G454-L456 VanDerWaalsContact O-N 3.12Å; G454-T457 PolarHBondContact O-N 2.83Å; G454-T457 PolarHBondContact O-OG1 3.43Å; G454-F460 WeakPolarHBondContact O-CB 3.45Å
455	S	94.8	Very high	93.1	Very high	67 Å²	67	40.4 Å²	40.4	47%	0.469	22%	0.217	S	C	.	.	G	3₁₀ helix	trans	-65.8	-10.8	177.5	49.2	0	0	0	0	115.2	S453 T457 H461	S453-S455 PolarHBondContact O-N 2.97Å; S455-T457 VanDerWaalsContact C-N 3.34Å; S455-H461 PolarHBondContact O-NE2 3.06Å
456	L	95.2	Very high	92.9	Very high	122 Å²	122	36.8 Å²	36.8	64%	0.639	21%	0.205	S	C	*	.	G	3₁₀ helix	trans	-95.1	13.9	172.9	-50.8	178.7	0	0	0	112.1	H421 S453 G454	H421-L456 PolarHBondContact CE1-O 3.32Å; H421-L456 PolarHBondContact ND1-O 3.14Å; S453-L456 WeakPolarHBondContact O-CA 3.19Å; S453-L456 WeakPolarHBondContact O-CB 3.35Å; S453-L456 PolarHBondContact O-N 2.82Å; G454-L456 PolarHBondContact O-N 2.92Å; G454-L456 VanDerWaalsContact O-N 3.12Å
457	T	95.8	Very high	92.9	Very high	2 Å²	2	36.2 Å²	36.2	1%	0.012	20%	0.198	C	C	.	.	S	Bend	trans	-123.3	142.8	176.7	67.3	0	0	0	0	111.5	T424 P450 G454 S455 V459 F460	T424-T457 HydrophobicContact CG2-CG2 4.44Å; T424-T457 WeakPolarHBondContact OG1-CB 3.21Å; P450-T457 HydrophobicContact CG-CG2 3.88Å; G454-T457 PolarHBondContact O-N 2.83Å; G454-T457 PolarHBondContact O-OG1 3.43Å; S455-T457 VanDerWaalsContact C-N 3.34Å; T457-V459 PolarHBondContact O-N 2.87Å; T457-V459 VanDerWaalsContact O-N 3.16Å; T457-V459 VanDerWaalsContact OG1-CG2 3.27Å; T457-V459 WeakPolarHBondContact OG1-CG2 3.49Å; T457-F460 WeakPolarHBondContact O-CB 3.12Å; T457-F460 PolarHBondContact O-N 3.38Å; T457-F460 VanDerWaalsContact O-N 3.1Å
458	P	94.4	Very high	92.8	Very high	37 Å²	37	35.7 Å²	35.7	24%	0.24	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68	-19.3	-172.6	28	-36.7	0	0	0	113.4	M428 F460 H461	M428-P458 HydrophobicContact CG-CB 3.97Å; M428-P458 HydrophobicContact CG-CG 3.81Å; P458-F460 VanDerWaalsContact C-N 3.28Å; P458-F460 PolarHBondContact O-N 2.71Å; P458-H461 PolarHBondContact O-N 2.94Å
459	V	95.5	Very high	92.7	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-25.7	174.5	-69.4	0	0	0	0	113.3	T424 F427 M428 W445 I448 V449 T457 Q462 M464	T424-V459 HydrophobicContact CG2-CB 4.36Å; T424-V459 HydrophobicContact CG2-CG1 4.05Å; T424-V459 HydrophobicContact CG2-CG2 3.38Å; F427-V459 HydrophobicContact CB-CG1 4.45Å; F427-V459 HydrophobicContact CD1-CG1 3.56Å; F427-V459 HydrophobicContact CE1-CG1 4.19Å; F427-V459 HydrophobicContact CG-CG1 4.27Å; M428-V459 HydrophobicContact CG-CG1 4.08Å; M428-V459 HydrophobicContact SD-CG1 3.92Å; W445-V459 PolarHBondContact NE1-O 2.98Å; I448-V459 HydrophobicContact CG2-CB 4.21Å; I448-V459 HydrophobicContact CG2-CG1 3.98Å; V449-V459 HydrophobicContact CG2-CG2 4.13Å; T457-V459 PolarHBondContact O-N 2.87Å; T457-V459 VanDerWaalsContact O-N 3.16Å; T457-V459 VanDerWaalsContact OG1-CG2 3.27Å; T457-V459 WeakPolarHBondContact OG1-CG2 3.49Å; V459-Q462 PolarHBondContact O-N 3.37Å; V459-M464 HydrophobicContact CB-CE 3.84Å; V459-M464 HydrophobicContact CG1-CE 4.08Å; V459-M464 WeakPolarHBondContact O-CE 3.29Å
460	F	95.9	Very high	92.4	Very high	82 Å²	82	36.2 Å²	36.2	36%	0.36	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-39.7	178.6	-178.8	-82.6	0	0	0	111.1	W445 V449 G454 T457 P458 Q462	W445-F460 HydrophobicContact CH2-CD2 4.06Å; W445-F460 AromaticContact CH2-CE2 3.99Å; W445-F460 HydrophobicContact CH2-CE2 3.99Å; W445-F460 AromaticContact CZ2-CD2 3.74Å; W445-F460 HydrophobicContact CZ2-CD2 3.74Å; W445-F460 HydrophobicContact CZ2-CE2 4Å; W445-F460 HydrophobicContact CZ2-CG 4.15Å; W445-F460 PolarHBondContact NE1-O 3.1Å; V449-F460 HydrophobicContact CG1-CD2 4.02Å; V449-F460 HydrophobicContact CG2-CB 4.49Å; G454-F460 WeakPolarHBondContact O-CB 3.45Å; T457-F460 WeakPolarHBondContact O-CB 3.12Å; T457-F460 PolarHBondContact O-N 3.38Å; T457-F460 VanDerWaalsContact O-N 3.1Å; P458-F460 VanDerWaalsContact C-N 3.28Å; P458-F460 PolarHBondContact O-N 2.71Å; F460-Q462 PolarHBondContact O-N 3.15Å
461	H	95.5	Very high	92.5	Very high	55 Å²	55	36 Å²	36	26%	0.255	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.3	-0.9	-179.8	-53.8	-59.7	0	0	0	113.5	W74 E75 S455 P458	W74-H461 HydrophobicContact CB-CB 4.42Å; W74-H461 PolarHBondContact N-O 2.71Å; E75-H461 HydrophobicContact CB-CB 3.85Å; E75-H461 IonicContact OE2-CD2 3.82Å; S455-H461 PolarHBondContact O-NE2 3.06Å; P458-H461 PolarHBondContact O-N 2.94Å
462	Q	95.7	Very high	92.5	Very high	17 Å²	17	33.2 Å²	33.2	8%	0.079	18%	0.182	C	C	.	.	B	Isolated β-bridge	trans	-102.7	120.3	-177.9	179.7	59.2	57.7	0	0	111.3	N73 M428 L431 V459 F460 M464	N73-Q462 PolarHBondContact ND2-OE1 3.19Å; M428-Q462 HydrophobicContact CE-CB 3.9Å; M428-Q462 HydrophobicContact CE-CG 3.92Å; M428-Q462 HydrophobicContact SD-CB 4.05Å; M428-Q462 HydrophobicContact SD-CG 4.1Å; L431-Q462 HydrophobicContact CD2-CG 3.54Å; V459-Q462 PolarHBondContact O-N 3.37Å; F460-Q462 PolarHBondContact O-N 3.15Å; Q462-M464 HydrophobicContact CB-CE 3.99Å; Q462-M464 HydrophobicContact CG-CE 3.98Å; Q462-M464 HydrophobicContact CG-CG 4.23Å
463	E	93.3	Very high	92.4	Very high	66 Å²	66	33 Å²	33	31%	0.308	18%	0.18	S	C	.	.			trans	-67	139.6	167.4	-69.9	172.8	-177.9	0	0	110.6	V71 K72 W74	V71-E463 WeakPolarHBondContact CA-OE2 3.44Å; V71-E463 HydrophobicContact CB-CB 3.91Å; V71-E463 HydrophobicContact CG1-CB 4.12Å; K72-E463 WeakPolarHBondContact CB-OE2 3.48Å; K72-E463 PolarHBondContact N-OE2 3.32Å; K72-E463 WeakPolarHBondContact O-CB 3.26Å; K72-E463 WeakPolarHBondContact O-CG 3.21Å; K72-E463 PolarHBondContact O-N 3.37Å; W74-E463 PolarHBondContact NE1-OE1 3.08Å
464	M	90.9	Very high	92	Very high	36 Å²	36	34.3 Å²	34.3	18%	0.177	18%	0.178	C	C	.	.			trans	-138.9	146.9	-174.1	-64.4	-176.3	-165.2	0	0	111	F427 A443 W445 I448 V459 Q462	F427-M464 HydrophobicContact CD1-CE 4.44Å; F427-M464 HydrophobicContact CE1-CE 3.64Å; F427-M464 HydrophobicContact CE1-SD 4.08Å; F427-M464 HydrophobicContact CZ-CE 4.28Å; F427-M464 HydrophobicContact CZ-SD 4.13Å; A443-M464 HydrophobicContact CB-CB 4.04Å; A443-M464 HydrophobicContact CB-CG 4.17Å; A443-M464 HydrophobicContact CB-SD 3.67Å; W445-M464 HydrophobicContact CB-CB 4.38Å; W445-M464 HydrophobicContact CB-SD 4.42Å; I448-M464 HydrophobicContact CB-SD 4.5Å; I448-M464 HydrophobicContact CG2-CE 4.2Å; I448-M464 HydrophobicContact CG2-SD 4.3Å; V459-M464 HydrophobicContact CB-CE 3.84Å; V459-M464 HydrophobicContact CG1-CE 4.08Å; V459-M464 WeakPolarHBondContact O-CE 3.29Å; Q462-M464 HydrophobicContact CB-CE 3.99Å; Q462-M464 HydrophobicContact CG-CE 3.98Å; Q462-M464 HydrophobicContact CG-CG 4.23Å
465	V	88.2	Confident	91.6	Very high	33 Å²	33	36.6 Å²	36.6	20%	0.2	18%	0.184	C	C	.	.	B	Isolated β-bridge	trans	-107	124.1	177.9	-162.3	0	0	0	0	109.8	P69 V71 D82 A443 Y467	P69-V465 HydrophobicContact CB-CG2 3.89Å; P69-V465 HydrophobicContact CG-CG1 4.41Å; V71-V465 HydrophobicContact CG1-CG2 3.63Å; D82-V465 HydrophobicContact CB-CG2 4.08Å; A443-V465 PolarHBondContact N-O 2.74Å; A443-V465 CarbonylContact O-C 3.35Å; V465-Y467 HydrophobicContact CB-CD1 3.79Å; V465-Y467 HydrophobicContact CB-CE1 3.92Å; V465-Y467 HydrophobicContact CG1-CD1 3.75Å; V465-Y467 HydrophobicContact CG1-CE1 4.29Å; V465-Y467 VanDerWaalsContact O-CD1 3.3Å; V465-Y467 WeakPolarHBondContact O-CD1 3.39Å
466	N	86.9	Confident	91.1	Very high	26 Å²	26	34.2 Å²	34.2	14%	0.139	17%	0.165	C	C	.	.			trans	-95.4	98.7	179.3	-173.2	-9.5	0	0	0	110.3	A443 D444	A443-N466 WeakPolarHBondContact O-CA 3.34Å; A443-N466 WeakPolarHBondContact O-CB 3.42Å; A443-N466 PolarHBondContact O-N 3.22Å; D444-N466 WeakPolarHBondContact CB-ND2 3.46Å; D444-N466 PolarHBondContact OD1-ND2 3.38Å; D444-N466 PolarHBondContact OD2-ND2 3.47Å; D444-N466 VanDerWaalsContact OD2-ND2 3.15Å
467	Y	86.5	Confident	90.5	Very high	8 Å²	8	30.4 Å²	30.4	3%	0.031	15%	0.148	C	C	.	.			trans	-139.7	167.9	179.9	63.2	-86	0	0	0	111.3	D82 L84 A88 C441 P442 V465 L469	D82-Y467 PolarHBondContact OD1-OH 3.3Å; D82-Y467 WeakPolarHBondContact OD2-CE1 3.32Å; D82-Y467 PolarHBondContact OD2-OH 2.9Å; L84-Y467 WeakPolarHBondContact CB-OH 3.43Å; L84-Y467 HydrophobicContact CG-CE2 4.26Å; A88-Y467 HydrophobicContact CB-CD2 4Å; A88-Y467 HydrophobicContact CB-CG 4.35Å; C441-Y467 PolarHBondContact N-OH 2.92Å; P442-Y467 HydrophobicContact CB-CD1 4.18Å; P442-Y467 HydrophobicContact CB-CD2 4.01Å; P442-Y467 HydrophobicContact CB-CE1 4.01Å; P442-Y467 HydrophobicContact CB-CE2 3.81Å; P442-Y467 HydrophobicContact CB-CG 4.2Å; P442-Y467 VanDerWaalsContact CB-O 3.28Å; P442-Y467 WeakPolarHBondContact CB-O 3.22Å; P442-Y467 HydrophobicContact CG-CE2 4.27Å; V465-Y467 HydrophobicContact CB-CD1 3.79Å; V465-Y467 HydrophobicContact CB-CE1 3.92Å; V465-Y467 HydrophobicContact CG1-CD1 3.75Å; V465-Y467 HydrophobicContact CG1-CE1 4.29Å; V465-Y467 VanDerWaalsContact O-CD1 3.3Å; V465-Y467 WeakPolarHBondContact O-CD1 3.39Å; Y467-L469 HydrophobicContact CD2-CD2 4.2Å; Y467-L469 HydrophobicContact CD2-CG 4.17Å; Y467-L469 HydrophobicContact CE2-CD1 4.11Å; Y467-L469 HydrophobicContact CE2-CD2 3.98Å; Y467-L469 HydrophobicContact CE2-CG 3.9Å
468	F	86	Confident	90	Very high	38 Å²	38	32.3 Å²	32.3	17%	0.167	16%	0.158	C	C	.	.			trans	-122.7	128	-175.1	-67.4	-86	0	0	0	112.2	A88 Q89 L109 P182	A88-F468 CarbonylContact C-O 3.58Å; A88-F468 VanDerWaalsContact CA-O 3.29Å; A88-F468 WeakPolarHBondContact CA-O 3.37Å; Q89-F468 PolarHBondContact N-O 3.05Å; L109-F468 HydrophobicContact CD2-CE2 3.91Å; L109-F468 HydrophobicContact CD2-CZ 3.48Å; L109-F468 VanDerWaalsContact CD2-CZ 3.48Å; P182-F468 HydrophobicContact CG-CD1 4.2Å; P182-F468 HydrophobicContact CG-CE1 3.6Å; P182-F468 HydrophobicContact CG-CZ 3.99Å
469	L	90.3	Very high	89.5	Confident	9 Å²	9	31.7 Å²	31.7	5%	0.047	15%	0.154	C	C	.	.			trans	-108.7	153.6	172.8	-60.3	173.7	0	0	0	109.5	L84 Q87 N180 P442 Y467 A472	L84-L469 HydrophobicContact CD1-CD1 4.12Å; L84-L469 HydrophobicContact CD2-CD1 3.82Å; L84-L469 HydrophobicContact CG-CD1 3.89Å; Q87-L469 HydrophobicContact CB-CD2 3.77Å; Q87-L469 WeakPolarHBondContact O-CD2 3.44Å; N180-L469 HydrophobicContact CB-CB 4.27Å; P442-L469 HydrophobicContact CG-CD1 4.3Å; Y467-L469 HydrophobicContact CD2-CD2 4.2Å; Y467-L469 HydrophobicContact CD2-CG 4.17Å; Y467-L469 HydrophobicContact CE2-CD1 4.11Å; Y467-L469 HydrophobicContact CE2-CD2 3.98Å; Y467-L469 HydrophobicContact CE2-CG 3.9Å; L469-A472 WeakPolarHBondContact O-CB 3.4Å
470	S	89.3	Confident	89	Confident	17 Å²	17	35.1 Å²	35.1	12%	0.119	17%	0.167	C	C	.	.	S	Bend	trans	-98.4	147.9	164.3	169.6	0	0	0	0	109.9	E342	E342-S470 PolarHBondContact OE1-OG 3.37Å; E342-S470 WeakPolarHBondContact OE2-CB 3.49Å; E342-S470 PolarHBondContact OE2-OG 2.81Å
471	P	94.5	Very high	88.2	Confident	0 Å²	0	36.6 Å²	36.6	0%	0	17%	0.173	C	C	.	.	S	Bend	cis	-57.4	152.6	-10.4	-28.2	38.1	0	0	0	113.7	F130 G173 Q176 A177 N180 E342 I343	F130-P471 HydrophobicContact CD2-CG 3.69Å; F130-P471 HydrophobicContact CE2-CG 3.67Å; G173-P471 WeakPolarHBondContact O-CB 3.32Å; Q176-P471 HydrophobicContact CB-CG 4.29Å; Q176-P471 HydrophobicContact CG-CG 4.33Å; A177-P471 WeakPolarHBondContact CA-O 3.5Å; A177-P471 HydrophobicContact CB-CB 3.96Å; N180-P471 PolarHBondContact ND2-O 2.99Å; E342-P471 CarbonylContact O-C 3.56Å; E342-P471 VanDerWaalsContact O-CA 3.27Å; E342-P471 WeakPolarHBondContact O-CA 3.31Å; E342-P471 WeakPolarHBondContact O-CB 3.48Å; I343-P471 HydrophobicContact CG1-CB 4.15Å; I343-P471 HydrophobicContact CG2-CG 4.23Å
472	A	92.5	Very high	86.4	Confident	4 Å²	4	36.2 Å²	36.2	3%	0.033	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143	153.7	-166.1	0	0	0	0	0	113.8	E342 L469 R474	E342-A472 PolarHBondContact N-O 2.97Å; E342-A472 PolarHBondContact O-N 3.33Å; L469-A472 WeakPolarHBondContact O-CB 3.4Å; A472-R474 HydrophobicContact CB-CG 4.21Å
473	F	91	Very high	83.8	Confident	22 Å²	22	41.6 Å²	41.6	10%	0.096	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	130.3	155.2	-68	-77.4	0	0	0	109.8	A177 W178 A181 I228 M339 L340 L341 F353	A177-F473 HydrophobicContact CB-CD2 4.09Å; A177-F473 HydrophobicContact CB-CE2 3.92Å; A177-F473 HydrophobicContact CB-CZ 4.4Å; W178-F473 HydrophobicContact CB-CE2 4.03Å; A181-F473 HydrophobicContact CB-CD2 4.35Å; I228-F473 HydrophobicContact CD1-CE1 3.78Å; I228-F473 HydrophobicContact CD1-CZ 3.74Å; M339-F473 HydrophobicContact CB-CD1 4.49Å; M339-F473 HydrophobicContact CE-CB 3.73Å; M339-F473 HydrophobicContact SD-CB 4.29Å; L340-F473 CarbonylContact O-C 3.58Å; L340-F473 WeakPolarHBondContact O-CA 3.42Å; L341-F473 HydrophobicContact CB-CD1 4.24Å; L341-F473 HydrophobicContact CB-CE1 4.15Å; L341-F473 HydrophobicContact CD1-CD1 4.29Å; L341-F473 HydrophobicContact CD1-CE1 3.98Å; L341-F473 HydrophobicContact CD1-CZ 4.28Å; F353-F473 HydrophobicContact CD2-CZ 4.32Å
474	R	86.9	Confident	81	Confident	67 Å²	67	42.7 Å²	42.7	25%	0.253	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	147.7	-178	-55.2	-175.9	-172.4	-133.9	-2.2	110.2	L340 E342 A472	L340-R474 HydrophobicContact CB-CB 4.45Å; L340-R474 HydrophobicContact CD2-CB 4.43Å; L340-R474 PolarHBondContact N-O 2.88Å; L340-R474 PolarHBondContact O-N 2.98Å; E342-R474 IonicContact OE2-CZ 3.12Å; E342-R474 IonicContact OE2-NE 2.76Å; E342-R474 PolarHBondContact OE2-NE 2.57Å; E342-R474 IonicContact OE2-NH2 2.6Å; E342-R474 PolarHBondContact OE2-NH2 3.06Å; A472-R474 HydrophobicContact CB-CG 4.21Å
475	Y	83.8	Confident	78.4	Confident	61 Å²	61	46 Å²	46	24%	0.239	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	129	170.2	-60.2	-84.2	0	0	0	109.9	L109 G111 M339	L109-Y475 HydrophobicContact CB-CD2 4Å; L109-Y475 HydrophobicContact CB-CE2 4.4Å; L109-Y475 HydrophobicContact CD1-CE2 4.43Å; L109-Y475 WeakPolarHBondContact O-CB 3.4Å; G111-Y475 PolarHBondContact N-O 3.13Å; M339-Y475 HydrophobicContact CE-CD1 4.05Å; M339-Y475 HydrophobicContact CE-CD2 4.26Å; M339-Y475 HydrophobicContact CE-CE1 3.92Å; M339-Y475 HydrophobicContact CE-CE2 4.14Å; M339-Y475 HydrophobicContact CE-CG 4.23Å; M339-Y475 HydrophobicContact CG-CD1 4.31Å; M339-Y475 HydrophobicContact CG-CE1 4.4Å; M339-Y475 HydrophobicContact SD-CE1 4.22Å
476	Q	84.9	Confident	75.9	Confident	16 Å²	16	53.5 Å²	53.5	8%	0.075	31%	0.307	C	S	.	.			trans	-108.2	156.6	176.2	50.2	177.4	-12.6	0	0	110.3	R242 N338 L340 P349	R242-Q476 VanDerWaalsContact NH2-CD 3.34Å; N338-Q476 WeakPolarHBondContact O-CG 3.49Å; N338-Q476 PolarHBondContact O-NE2 3.31Å; L340-Q476 HydrophobicContact CB-CB 4.29Å; L340-Q476 HydrophobicContact CB-CG 4.18Å; P349-Q476 PolarHBondContact O-NE2 3.25Å
477	P	83.1	Confident	74.1	Confident	43 Å²	43	55.9 Å²	55.9	28%	0.279	34%	0.338	S	S	.	.			trans	-61.5	150.3	173.7	-23.1	34.3	0	0	0	113.2	P113 R242	P113-P477 HydrophobicContact CB-CG 4.26Å; P113-P477 HydrophobicContact CG-CG 4.37Å; R242-P477 PolarHBondContact NH2-O 2.8Å
478	D	84.8	Confident	71.6	Confident	42 Å²	42	61.2 Å²	61.2	23%	0.225	37%	0.372	C	S	.	.			trans	-59.7	134.8	172.4	-55.7	-40.9	0	0	0	110.3	W480 K481	D478-W480 VanDerWaalsContact C-N 3.26Å; D478-W480 HydrophobicContact CB-CD2 3.92Å; D478-W480 HydrophobicContact CB-CE3 4.02Å; D478-W480 HydrophobicContact CB-CH2 3.78Å; D478-W480 HydrophobicContact CB-CZ2 3.69Å; D478-W480 HydrophobicContact CB-CZ3 3.95Å; D478-W480 PolarHBondContact O-N 2.97Å; D478-W480 VanDerWaalsContact O-N 3.16Å; D478-K481 HydrophobicContact CB-CD 4.02Å; D478-K481 HydrophobicContact CB-CG 4.21Å; D478-K481 PolarHBondContact O-N 3.49Å; D478-K481 WeakPolarHBondContact OD2-CD 3.3Å; D478-K481 WeakPolarHBondContact OD2-CE 3.49Å; D478-K481 IonicContact OD2-NZ 3.24Å; D478-K481 PolarHBondContact OD2-NZ 2.97Å
479	P	84.2	Confident	69.4	Low	24 Å²	24	62.5 Å²	62.5	16%	0.156	40%	0.395	C	S	.	.	G	3₁₀ helix	trans	-52.8	-38.8	-176.2	-29.9	35.7	0	0	0	114.8	R242 W244 K481	R242-P479 HydrophobicContact CB-CG 4.24Å; W244-P479 HydrophobicContact CD2-CB 3.89Å; W244-P479 HydrophobicContact CD2-CG 4.23Å; W244-P479 VanDerWaalsContact CE2-CB 3.48Å; W244-P479 HydrophobicContact CG-CB 4.1Å; W244-P479 HydrophobicContact CG-CG 3.91Å; W244-P479 HydrophobicContact CZ2-CB 3.84Å; P479-K481 PolarHBondContact O-N 3.18Å
480	W	84.5	Confident	67.2	Low	71 Å²	71	70 Å²	70	27%	0.269	43%	0.434	S	S	.	.	G	3₁₀ helix	trans	-76.1	-0.9	-177.9	59.9	99.4	0	0	0	114.8	W244 E269 I270 L273 D478	W244-W480 HydrophobicContact CB-CZ3 4.09Å; W244-W480 HydrophobicContact CD2-CE3 4.16Å; W244-W480 AromaticContact CE3-CE3 3.65Å; W244-W480 HydrophobicContact CE3-CE3 3.65Å; W244-W480 HydrophobicContact CE3-CZ3 4.32Å; W244-W480 HydrophobicContact CH2-CB 4.2Å; W244-W480 HydrophobicContact CZ3-CB 3.86Å; W244-W480 HydrophobicContact CZ3-CE3 4.17Å; W244-W480 WeakPolarHBondContact O-CZ3 3.43Å; E269-W480 PolarHBondContact OE2-NE1 3.13Å; I270-W480 HydrophobicContact CD1-CH2 4.27Å; I270-W480 HydrophobicContact CD1-CZ3 4.04Å; L273-W480 HydrophobicContact CD1-CB 4.07Å; L273-W480 HydrophobicContact CD1-CD2 3.57Å; L273-W480 HydrophobicContact CD1-CE3 3.97Å; L273-W480 HydrophobicContact CD1-CG 3.62Å; D478-W480 VanDerWaalsContact C-N 3.26Å; D478-W480 HydrophobicContact CB-CD2 3.92Å; D478-W480 HydrophobicContact CB-CE3 4.02Å; D478-W480 HydrophobicContact CB-CH2 3.78Å; D478-W480 HydrophobicContact CB-CZ2 3.69Å; D478-W480 HydrophobicContact CB-CZ3 3.95Å; D478-W480 PolarHBondContact O-N 2.97Å; D478-W480 VanDerWaalsContact O-N 3.16Å
481	K	79.3	Confident	65	Low	113 Å²	113	74.4 Å²	74.4	49%	0.491	46%	0.46	S	S	.	.	G	3₁₀ helix	trans	-107.7	-1.6	-177.8	-65.1	179.8	-176.8	151	0	113.9	E269 D478 P479	E269-K481 IonicContact OE1-NZ 3.16Å; E269-K481 PolarHBondContact OE1-NZ 3.46Å; E269-K481 WeakPolarHBondContact OE2-CE 3.38Å; E269-K481 IonicContact OE2-NZ 2.74Å; E269-K481 PolarHBondContact OE2-NZ 3.03Å; D478-K481 HydrophobicContact CB-CD 4.02Å; D478-K481 HydrophobicContact CB-CG 4.21Å; D478-K481 PolarHBondContact O-N 3.49Å; D478-K481 WeakPolarHBondContact OD2-CD 3.3Å; D478-K481 WeakPolarHBondContact OD2-CE 3.49Å; D478-K481 IonicContact OD2-NZ 3.24Å; D478-K481 PolarHBondContact OD2-NZ 2.97Å; P479-K481 PolarHBondContact O-N 3.18Å
482	G	58	Low	62.6	Low	47 Å²	47	85.3 Å²	85.3	49%	0.485	50%	0.501	S	S	.	.	S	Bend	trans	-124.2	132.7	-178.8	0	0	0	0	0	113.1
483	S	40.6	Very low	60.2	Low	130 Å²	130	92.1 Å²	92.1	91%	0.909	53%	0.53	S	S	*	.	S	Bend	trans	63.6	150.1	-172.5	-71.1	0	0	0	0	115.2
484	A	35	Very low	58.1	Low	90 Å²	90	96.1 Å²	96.1	74%	0.744	55%	0.548	S	S	*	.			trans	-71.3	137.9	-169.8	0	0	0	0	0	112.6	K486	A484-K486 VanDerWaalsContact C-N 3.25Å; A484-K486 PolarHBondContact O-N 3.39Å
485	A	35.4	Very low	56.4	Low	105 Å²	105	96.4 Å²	96.4	87%	0.868	56%	0.557	S	S	*	*			trans	-65.8	81.5	168.6	0	0	0	0	0	111	G487	A485-G487 VanDerWaalsContact C-N 3.25Å; A485-G487 PolarHBondContact O-N 2.98Å
486	K	35.8	Very low	54.5	Low	190 Å²	190	101 Å²	101	83%	0.826	58%	0.578	S	S	*	*			trans	-67.3	89.6	161.4	-76	-175	175	179.9	0	107.4	A484 T488	A484-K486 VanDerWaalsContact C-N 3.25Å; A484-K486 PolarHBondContact O-N 3.39Å; K486-T488 PolarHBondContact O-N 3.32Å
487	G	49.7	Very low	52.5	Low	77 Å²	77	108 Å²	108	79%	0.794	61%	0.609	S	S	*	*			trans	-58.9	124.3	-170.3	0	0	0	0	0	113.2	A485	A485-G487 VanDerWaalsContact C-N 3.25Å; A485-G487 PolarHBondContact O-N 2.98Å
488	T	34.3	Very low	50.8	Low	120 Å²	120	111 Å²	111	74%	0.736	62%	0.619	S	S	*	*			trans	-136.6	115.2	176	51.8	0	0	0	0	110.5	K486	K486-T488 PolarHBondContact O-N 3.32Å
489	G	40.4	Very low	49	Very low	64 Å²	64	110.1 Å²	110.1	66%	0.66	62%	0.615	S	S	*	*			trans	43.4	117.3	156	0	0	0	0	0	120.1	T491	G489-T491 PolarHBondContact O-N 3.42Å
490	I	42.9	Very low	47	Very low	166 Å²	166	111 Å²	111	85%	0.851	63%	0.625	S	S	*	*			trans	-62.5	96.7	161.2	-58	170.5	0	0	0	108.7	R492	I490-R492 PolarHBondContact O-N 2.94Å
491	T	43.3	Very low	45.1	Very low	110 Å²	110	111.8 Å²	111.8	68%	0.675	63%	0.634	S	S	*	*			trans	-84.1	104.4	-178	27	0	0	0	0	110.6	G489	G489-T491 PolarHBondContact O-N 3.42Å
492	R	43.3	Very low	43.3	Very low	230 Å²	230	108.9 Å²	108.9	87%	0.868	63%	0.631	S	S	*	*			trans	19.3	118.6	167.1	-92.2	-175.9	169.7	178.5	-2.6	117.8	I490 K494	I490-R492 PolarHBondContact O-N 2.94Å; R492-K494 PolarHBondContact O-N 3.33Å
493	K	42.5	Very low	42.7	Very low	147 Å²	147	108.3 Å²	108.3	64%	0.639	62%	0.618	S	S	*	*			trans	-48.2	107.4	151	-85	-174.6	162.7	-176.2	0	110.1	G278 T280	G278-K493 WeakPolarHBondContact O-CE 3.24Å; T280-K493 PolarHBondContact OG1-NZ 2.89Å
494	K	48.5	Very low	42.8	Very low	106 Å²	106	109.5 Å²	109.5	46%	0.461	61%	0.607	S	S	.	*			trans	-69.3	126.5	159.1	-68.3	175.8	-174.1	171.3	0	106.8	E301 R492	E301-K494 IonicContact OE1-NZ 2.75Å; E301-K494 PolarHBondContact OE1-NZ 3.01Å; E301-K494 IonicContact OE2-NZ 3.17Å; E301-K494 PolarHBondContact OE2-NZ 2.88Å; R492-K494 PolarHBondContact O-N 3.33Å
495	T	50.5	Low	43.2	Very low	73 Å²	73	110.1 Å²	110.1	45%	0.448	60%	0.596	S	S	.	*			trans	-70.1	158.2	-172.6	61.8	0	0	0	0	111.7	K497 E498 V499	T495-K497 PolarHBondContact O-N 3Å; T495-E498 VanDerWaalsContact CB-OE2 3.29Å; T495-E498 WeakPolarHBondContact CB-OE2 3.49Å; T495-E498 WeakPolarHBondContact CG2-OE2 3.33Å; T495-E498 PolarHBondContact N-OE2 3.44Å; T495-E498 PolarHBondContact O-N 3.04Å; T495-E498 WeakPolarHBondContact OG1-CG 3.45Å; T495-E498 PolarHBondContact OG1-N 3.08Å; T495-E498 PolarHBondContact OG1-OE2 3.29Å; T495-V499 PolarHBondContact O-N 3.19Å
496	F	43.3	Very low	43.3	Very low	157 Å²	157	106 Å²	106	69%	0.689	56%	0.561	S	S	*	*	H	α-helix	trans	-54.9	-27.3	173.3	-162.5	-89.6	0	0	0	112.3	L304 A500	L304-F496 HydrophobicContact CD1-CD2 3.78Å; L304-F496 HydrophobicContact CD1-CE2 4.07Å; F496-A500 WeakPolarHBondContact O-CB 3.39Å; F496-A500 PolarHBondContact O-N 2.7Å
497	K	43	Very low	43.5	Very low	163 Å²	163	99.8 Å²	99.8	71%	0.709	55%	0.546	S	S	*	.	H	α-helix	trans	-73.6	-35.6	175	-166.7	176.6	-176.1	179.6	0	113	T495 N501	T495-K497 PolarHBondContact O-N 3Å; K497-N501 VanDerWaalsContact O-CB 3.29Å; K497-N501 WeakPolarHBondContact O-CB 3.31Å; K497-N501 PolarHBondContact O-N 3.09Å
498	E	48.4	Very low	43	Very low	106 Å²	106	100 Å²	100	50%	0.495	54%	0.535	S	S	.	.	H	α-helix	trans	-74.2	-40.7	173.7	-71.4	158.4	119.5	0	0	111.3	T495 N501 A502	T495-E498 VanDerWaalsContact CB-OE2 3.29Å; T495-E498 WeakPolarHBondContact CB-OE2 3.49Å; T495-E498 WeakPolarHBondContact CG2-OE2 3.33Å; T495-E498 PolarHBondContact N-OE2 3.44Å; T495-E498 PolarHBondContact O-N 3.04Å; T495-E498 WeakPolarHBondContact OG1-CG 3.45Å; T495-E498 PolarHBondContact OG1-N 3.08Å; T495-E498 PolarHBondContact OG1-OE2 3.29Å; E498-N501 PolarHBondContact O-N 2.88Å; E498-A502 WeakPolarHBondContact O-CB 3.45Å; E498-A502 PolarHBondContact O-N 2.73Å
499	V	45.8	Very low	43.2	Very low	24 Å²	24	98.9 Å²	98.9	15%	0.145	52%	0.524	C	S	.	.	H	α-helix	trans	-64.9	-45.7	172.8	179.3	0	0	0	0	110.7	T495 N501 A502 V503	T495-V499 PolarHBondContact O-N 3.19Å; V499-N501 VanDerWaalsContact C-N 3.34Å; V499-N501 PolarHBondContact O-N 2.84Å; V499-A502 CarbonylContact O-C 3.58Å; V499-A502 PolarHBondContact O-N 2.86Å; V499-A502 VanDerWaalsContact O-N 3.14Å; V499-V503 HydrophobicContact CG1-CG2 4.42Å; V499-V503 WeakPolarHBondContact O-CB 3.21Å; V499-V503 WeakPolarHBondContact O-CG2 3.48Å; V499-V503 PolarHBondContact O-N 3.02Å
500	A	43.5	Very low	43.2	Very low	43 Å²	43	96.7 Å²	96.7	36%	0.355	50%	0.497	S	S	.	.	H	α-helix	trans	-63.7	-37	175.2	0	0	0	0	0	112.4	F496 V503 K504	F496-A500 WeakPolarHBondContact O-CB 3.39Å; F496-A500 PolarHBondContact O-N 2.7Å; A500-V503 PolarHBondContact O-N 3.41Å; A500-K504 WeakPolarHBondContact O-CB 3.44Å; A500-K504 PolarHBondContact O-N 2.89Å
501	N	44.6	Very low	43.1	Very low	87 Å²	87	91.3 Å²	91.3	47%	0.465	48%	0.482	S	S	.	.	H	α-helix	trans	-66.9	-39.8	170.9	-87.5	-6.9	0	0	0	111.9	K497 E498 V499 V503 K504 I505	K497-N501 VanDerWaalsContact O-CB 3.29Å; K497-N501 WeakPolarHBondContact O-CB 3.31Å; K497-N501 PolarHBondContact O-N 3.09Å; E498-N501 PolarHBondContact O-N 2.88Å; V499-N501 VanDerWaalsContact C-N 3.34Å; V499-N501 PolarHBondContact O-N 2.84Å; N501-V503 VanDerWaalsContact C-N 3.35Å; N501-K504 PolarHBondContact O-N 2.96Å; N501-I505 VanDerWaalsContact O-CB 3.23Å; N501-I505 WeakPolarHBondContact O-CB 3.28Å; N501-I505 WeakPolarHBondContact O-CD1 3.29Å; N501-I505 WeakPolarHBondContact O-CG1 3.36Å; N501-I505 PolarHBondContact O-N 3.22Å
502	A	41.3	Very low	42.8	Very low	52 Å²	52	90.7 Å²	90.7	43%	0.43	48%	0.478	S	S	.	.	H	α-helix	trans	-65.1	-36.8	175.1	0	0	0	0	0	112.2	E498 V499 S506	E498-A502 WeakPolarHBondContact O-CB 3.45Å; E498-A502 PolarHBondContact O-N 2.73Å; V499-A502 CarbonylContact O-C 3.58Å; V499-A502 PolarHBondContact O-N 2.86Å; V499-A502 VanDerWaalsContact O-N 3.14Å; A502-S506 WeakPolarHBondContact O-CA 3.27Å; A502-S506 WeakPolarHBondContact O-CB 3.31Å; A502-S506 PolarHBondContact O-N 3.03Å; A502-S506 PolarHBondContact O-OG 3.02Å
503	V	44.9	Very low	42.4	Very low	34 Å²	34	83.4 Å²	83.4	21%	0.206	46%	0.459	C	S	.	.	H	α-helix	trans	-70.8	-38.1	173.2	170.2	0	0	0	0	111.3	F208 P306 V499 A500 N501 S506 A507	F208-V503 HydrophobicContact CE1-CG2 4.18Å; P306-V503 HydrophobicContact CG-CG1 4.01Å; P306-V503 HydrophobicContact CG-CG2 4.07Å; V499-V503 HydrophobicContact CG1-CG2 4.42Å; V499-V503 WeakPolarHBondContact O-CB 3.21Å; V499-V503 WeakPolarHBondContact O-CG2 3.48Å; V499-V503 PolarHBondContact O-N 3.02Å; A500-V503 PolarHBondContact O-N 3.41Å; N501-V503 VanDerWaalsContact C-N 3.35Å; V503-S506 CarbonylContact O-C 3.59Å; V503-S506 WeakPolarHBondContact O-CB 3.47Å; V503-S506 PolarHBondContact O-N 2.88Å; V503-A507 WeakPolarHBondContact O-CB 3.41Å; V503-A507 PolarHBondContact O-N 3.41Å
504	K	42.3	Very low	42.5	Very low	156 Å²	156	81.6 Å²	81.6	68%	0.678	45%	0.454	S	S	*	.	H	α-helix	trans	-73.1	-37.5	177.4	-165.5	173	-171.7	176.1	0	112.4	A500 N501 A507 S508	A500-K504 WeakPolarHBondContact O-CB 3.44Å; A500-K504 PolarHBondContact O-N 2.89Å; N501-K504 PolarHBondContact O-N 2.96Å; K504-A507 PolarHBondContact O-N 3.43Å; K504-S508 WeakPolarHBondContact O-CB 3.32Å; K504-S508 PolarHBondContact O-N 2.9Å
505	I	43.5	Very low	42.2	Very low	102 Å²	102	79.1 Å²	79.1	52%	0.523	45%	0.453	S	S	.	.	H	α-helix	trans	-66.4	-40.7	167.8	-69.6	165.2	0	0	0	109.5	N501 S508 L509	N501-I505 VanDerWaalsContact O-CB 3.23Å; N501-I505 WeakPolarHBondContact O-CB 3.28Å; N501-I505 WeakPolarHBondContact O-CD1 3.29Å; N501-I505 WeakPolarHBondContact O-CG1 3.36Å; N501-I505 PolarHBondContact O-N 3.22Å; I505-S508 CarbonylContact O-C 3.55Å; I505-S508 WeakPolarHBondContact O-CB 3.18Å; I505-S508 PolarHBondContact O-N 3.15Å; I505-L509 HydrophobicContact CG2-CD1 4.16Å; I505-L509 WeakPolarHBondContact O-CB 3.22Å; I505-L509 PolarHBondContact O-N 2.87Å
506	S	37.2	Very low	42	Very low	19 Å²	19	84.8 Å²	84.8	13%	0.133	47%	0.472	C	S	.	.	H	α-helix	trans	-64.9	-37.3	174	-67.7	0	0	0	0	112.3	T209 A502 V503 S508 L509 M510	T209-S506 PolarHBondContact OG1-OG 3.08Å; T209-S506 VanDerWaalsContact OG1-OG 3.14Å; A502-S506 WeakPolarHBondContact O-CA 3.27Å; A502-S506 WeakPolarHBondContact O-CB 3.31Å; A502-S506 PolarHBondContact O-N 3.03Å; A502-S506 PolarHBondContact O-OG 3.02Å; V503-S506 CarbonylContact O-C 3.59Å; V503-S506 WeakPolarHBondContact O-CB 3.47Å; V503-S506 PolarHBondContact O-N 2.88Å; S506-S508 VanDerWaalsContact C-N 3.33Å; S506-L509 CarbonylContact O-C 3.52Å; S506-L509 PolarHBondContact O-N 3.48Å; S506-M510 WeakPolarHBondContact O-CA 3.43Å; S506-M510 WeakPolarHBondContact O-CB 3.32Å; S506-M510 WeakPolarHBondContact O-CG 3.23Å; S506-M510 PolarHBondContact O-N 3.45Å
507	A	40.4	Very low	43	Very low	60 Å²	60	82 Å²	82	50%	0.496	46%	0.457	S	S	.	.	H	α-helix	trans	-66.1	-37.6	174	0	0	0	0	0	111.4	V503 K504 M510 G511	V503-A507 WeakPolarHBondContact O-CB 3.41Å; V503-A507 PolarHBondContact O-N 3.41Å; K504-A507 PolarHBondContact O-N 3.43Å; A507-M510 PolarHBondContact O-N 3.45Å; A507-G511 PolarHBondContact O-N 2.94Å
508	S	38.9	Very low	44.4	Very low	81 Å²	81	76.4 Å²	76.4	57%	0.566	44%	0.436	S	S	*	.	H	α-helix	trans	-66.6	-49.2	172.3	-168.8	0	0	0	0	111.9	K504 I505 S506 M510 G511 T512	K504-S508 WeakPolarHBondContact O-CB 3.32Å; K504-S508 PolarHBondContact O-N 2.9Å; I505-S508 CarbonylContact O-C 3.55Å; I505-S508 WeakPolarHBondContact O-CB 3.18Å; I505-S508 PolarHBondContact O-N 3.15Å; S506-S508 VanDerWaalsContact C-N 3.33Å; S508-M510 VanDerWaalsContact C-N 3.29Å; S508-M510 PolarHBondContact O-N 3.3Å; S508-G511 VanDerWaalsContact O-CA 3.3Å; S508-G511 WeakPolarHBondContact O-CA 3.28Å; S508-G511 PolarHBondContact O-N 3.02Å; S508-T512 PolarHBondContact O-N 3.1Å; S508-T512 PolarHBondContact O-OG1 3.01Å
509	L	38.1	Very low	46	Very low	97 Å²	97	77.4 Å²	77.4	51%	0.508	44%	0.439	S	S	.	.	H	α-helix	trans	-63.4	-31.6	174	-110	74.3	0	0	0	112	I505 S506 G511 T512 V513	I505-L509 HydrophobicContact CG2-CD1 4.16Å; I505-L509 WeakPolarHBondContact O-CB 3.22Å; I505-L509 PolarHBondContact O-N 2.87Å; S506-L509 CarbonylContact O-C 3.52Å; S506-L509 PolarHBondContact O-N 3.48Å; L509-G511 VanDerWaalsContact C-N 3.34Å; L509-T512 CarbonylContact O-C 3.52Å; L509-T512 WeakPolarHBondContact O-CA 3.35Å; L509-T512 VanDerWaalsContact O-CB 3.31Å; L509-T512 WeakPolarHBondContact O-CB 3.44Å; L509-T512 PolarHBondContact O-N 3.39Å; L509-V513 WeakPolarHBondContact O-CB 3.34Å; L509-V513 VanDerWaalsContact O-CG2 3.31Å; L509-V513 WeakPolarHBondContact O-CG2 3.49Å; L509-V513 PolarHBondContact O-N 2.72Å
510	M	41.7	Very low	48.2	Very low	18 Å²	18	76.3 Å²	76.3	9%	0.089	43%	0.432	C	S	.	.	H	α-helix	trans	-70.2	-31.7	170.9	-77.4	175.3	-169.6	0	0	111.2	T209 C212 N213 S506 A507 S508 T512 V513 M514	T209-M510 HydrophobicContact CG2-CE 3.8Å; T209-M510 VanDerWaalsContact O-CE 3.31Å; T209-M510 WeakPolarHBondContact O-CE 3.45Å; C212-M510 HydrophobicContact CB-CE 3.96Å; N213-M510 HydrophobicContact CB-CE 4.34Å; N213-M510 WeakPolarHBondContact OD1-CE 3.41Å; N213-M510 PolarHBondContact OD1-SD 2.85Å; N213-M510 VanDerWaalsContact OD1-SD 3.34Å; S506-M510 WeakPolarHBondContact O-CA 3.43Å; S506-M510 WeakPolarHBondContact O-CB 3.32Å; S506-M510 WeakPolarHBondContact O-CG 3.23Å; S506-M510 PolarHBondContact O-N 3.45Å; A507-M510 PolarHBondContact O-N 3.45Å; S508-M510 VanDerWaalsContact C-N 3.29Å; S508-M510 PolarHBondContact O-N 3.3Å; M510-T512 PolarHBondContact O-N 3.21Å; M510-V513 PolarHBondContact O-N 2.98Å; M510-M514 WeakPolarHBondContact O-CA 3.43Å; M510-M514 WeakPolarHBondContact O-CB 3.37Å; M510-M514 WeakPolarHBondContact O-CG 3.49Å; M510-M514 PolarHBondContact O-N 2.75Å
511	G	40.8	Very low	50.7	Low	53 Å²	53	74.4 Å²	74.4	55%	0.546	42%	0.416	S	S	.	.	H	α-helix	trans	-57	-30.4	163.5	0	0	0	0	0	112.6	A507 S508 L509 A515	A507-G511 PolarHBondContact O-N 2.94Å; S508-G511 VanDerWaalsContact O-CA 3.3Å; S508-G511 WeakPolarHBondContact O-CA 3.28Å; S508-G511 PolarHBondContact O-N 3.02Å; L509-G511 VanDerWaalsContact C-N 3.34Å; G511-A515 VanDerWaalsContact O-CB 3.27Å; G511-A515 WeakPolarHBondContact O-CB 3.2Å
512	T	36.4	Very low	53.2	Low	96 Å²	96	70.2 Å²	70.2	59%	0.589	39%	0.394	S	S	*	.	H	α-helix	trans	-90.5	-30.4	177.3	-41.3	0	0	0	0	113.9	S508 L509 M510 A515	S508-T512 PolarHBondContact O-N 3.1Å; S508-T512 PolarHBondContact O-OG1 3.01Å; L509-T512 CarbonylContact O-C 3.52Å; L509-T512 WeakPolarHBondContact O-CA 3.35Å; L509-T512 VanDerWaalsContact O-CB 3.31Å; L509-T512 WeakPolarHBondContact O-CB 3.44Å; L509-T512 PolarHBondContact O-N 3.39Å; M510-T512 PolarHBondContact O-N 3.21Å; T512-A515 CarbonylContact O-C 3.55Å; T512-A515 WeakPolarHBondContact O-CA 3.45Å; T512-A515 WeakPolarHBondContact O-CB 3.27Å; T512-A515 PolarHBondContact O-N 2.67Å
513	V	35.1	Very low	55.9	Low	78 Å²	78	67.8 Å²	67.8	47%	0.473	37%	0.373	S	S	.	.	H	α-helix	trans	-89	-36.1	-178	170.2	0	0	0	0	110.9	L509 M510 A515 K516	L509-V513 WeakPolarHBondContact O-CB 3.34Å; L509-V513 VanDerWaalsContact O-CG2 3.31Å; L509-V513 WeakPolarHBondContact O-CG2 3.49Å; L509-V513 PolarHBondContact O-N 2.72Å; M510-V513 PolarHBondContact O-N 2.98Å; V513-A515 PolarHBondContact O-N 2.74Å; V513-K516 WeakPolarHBondContact O-CB 3.31Å; V513-K516 PolarHBondContact O-N 2.68Å
514	M	44.3	Very low	58.4	Low	109 Å²	109	67.2 Å²	67.2	54%	0.537	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.5	-5.4	160.8	-55.4	-159.8	79.9	0	0	112.1	M510 K516	M510-M514 WeakPolarHBondContact O-CA 3.43Å; M510-M514 WeakPolarHBondContact O-CB 3.37Å; M510-M514 WeakPolarHBondContact O-CG 3.49Å; M510-M514 PolarHBondContact O-N 2.75Å; M514-K516 CarbonylContact O-C 3.29Å
515	A	41.3	Very low	60.9	Low	53 Å²	53	59.8 Å²	59.8	44%	0.438	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.8	2.6	162.4	0	0	0	0	0	114.4	G511 T512 V513 R517	G511-A515 VanDerWaalsContact O-CB 3.27Å; G511-A515 WeakPolarHBondContact O-CB 3.2Å; T512-A515 CarbonylContact O-C 3.55Å; T512-A515 WeakPolarHBondContact O-CA 3.45Å; T512-A515 WeakPolarHBondContact O-CB 3.27Å; T512-A515 PolarHBondContact O-N 2.67Å; V513-A515 PolarHBondContact O-N 2.74Å; A515-R517 PolarHBondContact O-N 2.91Å
516	K	47.7	Very low	63	Low	193 Å²	193	55.3 Å²	55.3	84%	0.839	31%	0.313	S	S	*	.	S	Bend	trans	-69.7	76.8	133.5	-89.8	-173	173.9	178.2	0	106.7	V513 M514	V513-K516 WeakPolarHBondContact O-CB 3.31Å; V513-K516 PolarHBondContact O-N 2.68Å; M514-K516 CarbonylContact O-C 3.29Å
517	R	64.2	Low	65	Low	98 Å²	98	56.2 Å²	56.2	37%	0.37	32%	0.315	S	S	.	.	P	Polyproline II helix	trans	-63.9	150	-175	-55.8	173.2	-175.4	172.5	-8.2	109.6	A515 K519 R543 F546 D547	A515-R517 PolarHBondContact O-N 2.91Å; R517-K519 PolarHBondContact O-N 3Å; R517-R543 PolarHBondContact NH1-O 3.18Å; R517-F546 VanDerWaalsContact CB-C 3.41Å; R517-F546 VanDerWaalsContact CD-C 3.5Å; R517-F546 WeakPolarHBondContact CD-O 3.21Å; R517-F546 PolarHBondContact NH1-O 3.33Å; R517-D547 HydrophobicContact CB-CB 4.16Å
518	V	71.1	Confident	66.4	Low	46 Å²	46	56.8 Å²	56.8	28%	0.279	31%	0.313	S	S	.	.	P	Polyproline II helix	trans	-56.1	129.6	177.5	174.7	0	0	0	0	109.6	A520 F546 D547 F710	V518-A520 PolarHBondContact O-N 3.47Å; V518-F546 HydrophobicContact CB-CD1 3.82Å; V518-F546 HydrophobicContact CB-CE1 4.11Å; V518-F546 HydrophobicContact CG1-CD1 4.13Å; V518-F546 HydrophobicContact CG1-CE1 4.27Å; V518-F546 WeakPolarHBondContact O-CA 3.47Å; V518-F546 WeakPolarHBondContact O-CB 3.46Å; V518-D547 PolarHBondContact O-N 3.3Å; V518-F710 HydrophobicContact CG1-CD1 3.84Å; V518-F710 HydrophobicContact CG1-CE1 3.98Å; V518-F710 HydrophobicContact CG1-CG 4.2Å; V518-F710 HydrophobicContact CG1-CZ 4.46Å; V518-F710 HydrophobicContact CG2-CB 4.37Å; V518-F710 HydrophobicContact CG2-CD1 4.17Å; V518-F710 HydrophobicContact CG2-CG 4.47Å
519	K	83	Confident	67.8	Low	127 Å²	127	54.2 Å²	54.2	55%	0.552	30%	0.299	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-62.2	132.9	177.5	-66.1	174.7	-176.5	168.2	0	109.3	R517 T565	R517-K519 PolarHBondContact O-N 3Å; K519-T565 PolarHBondContact O-OG1 3.48Å
520	A	91.3	Very high	69.7	Low	1 Å²	1	53.9 Å²	53.9	1%	0.008	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	94.4	177.6	0	0	0	0	0	110.1	V518 I522 F542 F546 D547 P548 R549 L566 L568	V518-A520 PolarHBondContact O-N 3.47Å; A520-I522 PolarHBondContact O-N 2.79Å; A520-F542 HydrophobicContact CB-CD1 4.19Å; A520-F546 HydrophobicContact CB-CB 3.82Å; A520-F546 HydrophobicContact CB-CD1 4.34Å; A520-F546 HydrophobicContact CB-CG 4.22Å; A520-D547 PolarHBondContact N-O 3.21Å; A520-P548 HydrophobicContact CB-CB 4.33Å; A520-P548 WeakPolarHBondContact O-CA 3.35Å; A520-R549 PolarHBondContact O-N 2.93Å; A520-L566 CarbonylContact C-O 3.5Å; A520-L566 WeakPolarHBondContact CA-O 3.44Å; A520-L566 HydrophobicContact CB-CD2 4.04Å; A520-L566 HydrophobicContact CB-CG 4.33Å; A520-L568 HydrophobicContact CB-CD1 4.36Å
521	T	95.8	Very high	71.8	Confident	2 Å²	2	53 Å²	53	1%	0.012	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	122.4	179.2	-73.6	0	0	0	0	109.9	L523 L551 Y556 E564 L566 V567 L568	T521-L523 HydrophobicContact CG2-CD2 3.54Å; T521-L523 HydrophobicContact CG2-CG 3.99Å; T521-L551 HydrophobicContact CG2-CD1 4.46Å; T521-Y556 HydrophobicContact CG2-CD2 4.25Å; T521-Y556 HydrophobicContact CG2-CE2 3.7Å; T521-E564 WeakPolarHBondContact CB-OE1 3.2Å; T521-E564 VanDerWaalsContact OG1-CD 3.24Å; T521-E564 PolarHBondContact OG1-OE1 3.24Å; T521-E564 PolarHBondContact OG1-OE2 2.91Å; T521-L566 PolarHBondContact N-O 3.06Å; T521-V567 CarbonylContact O-C 3.54Å; T521-V567 VanDerWaalsContact O-CA 3.24Å; T521-V567 WeakPolarHBondContact O-CA 3.28Å; T521-L568 PolarHBondContact O-N 2.92Å
522	I	97.6	Very high	73.9	Confident	0 Å²	0	53.3 Å²	53.3	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	103.9	-177.1	-54	-176.9	0	0	0	108.2	A520 A535 L538 F542 P548 R549 V550 L551 L568	A520-I522 PolarHBondContact O-N 2.79Å; I522-A535 HydrophobicContact CG2-CB 4.02Å; I522-L538 HydrophobicContact CD1-CB 4.3Å; I522-L538 HydrophobicContact CD1-CD2 4.4Å; I522-L538 HydrophobicContact CD1-CG 4.17Å; I522-L538 HydrophobicContact CG2-CD2 4.1Å; I522-F542 HydrophobicContact CD1-CB 4.39Å; I522-P548 HydrophobicContact CD1-CB 3.94Å; I522-P548 HydrophobicContact CG1-CB 4.47Å; I522-R549 PolarHBondContact N-O 3.06Å; I522-V550 HydrophobicContact CB-CG2 4.16Å; I522-V550 HydrophobicContact CD1-CG2 4.34Å; I522-V550 WeakPolarHBondContact O-CA 3.21Å; I522-L551 PolarHBondContact O-N 2.9Å; I522-L568 CarbonylContact C-O 3.46Å; I522-L568 VanDerWaalsContact CA-O 3.25Å; I522-L568 WeakPolarHBondContact CA-O 3.34Å; I522-L568 HydrophobicContact CG1-CB 4.31Å; I522-L568 HydrophobicContact CG1-CD1 4.11Å
523	L	97.8	Very high	75.7	Confident	0 Å²	0	51 Å²	51	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	139.7	-177.9	-55.8	-177.9	0	0	0	110.6	T521 L551 M553 Y556 V567 L568 V570 F586	T521-L523 HydrophobicContact CG2-CD2 3.54Å; T521-L523 HydrophobicContact CG2-CG 3.99Å; L523-L551 WeakPolarHBondContact CA-O 3.48Å; L523-L551 HydrophobicContact CD2-CB 4.19Å; L523-M553 HydrophobicContact CB-CE 4.42Å; L523-M553 HydrophobicContact CB-CG 4.16Å; L523-Y556 HydrophobicContact CD1-CD1 3.78Å; L523-Y556 HydrophobicContact CD1-CE1 3.85Å; L523-Y556 HydrophobicContact CD1-CG 4.27Å; L523-Y556 HydrophobicContact CD2-CD1 3.92Å; L523-Y556 HydrophobicContact CD2-CD2 3.66Å; L523-Y556 HydrophobicContact CD2-CE1 4.35Å; L523-Y556 HydrophobicContact CD2-CE2 4.13Å; L523-Y556 HydrophobicContact CD2-CG 3.53Å; L523-V567 HydrophobicContact CD1-CG1 4.03Å; L523-V567 HydrophobicContact CG-CG1 4.19Å; L523-L568 PolarHBondContact N-O 3.11Å; L523-V570 PolarHBondContact O-N 2.83Å; L523-F586 HydrophobicContact CD1-CD2 4.3Å; L523-F586 HydrophobicContact CD1-CE2 3.45Å; L523-F586 VanDerWaalsContact CD1-CE2 3.45Å; L523-F586 HydrophobicContact CD1-CZ 3.74Å
524	Y	97.3	Very high	78.1	Confident	23 Å²	23	47.9 Å²	47.9	9%	0.09	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	139.6	173.3	72.2	-88.9	0	0	0	113.7	Q532 A535 V550 L551 C552 M553 V570	Y524-Q532 HydrophobicContact CD2-CB 3.64Å; Y524-Q532 HydrophobicContact CD2-CG 3.96Å; Y524-Q532 HydrophobicContact CE1-CG 4.19Å; Y524-Q532 HydrophobicContact CE2-CB 3.66Å; Y524-Q532 HydrophobicContact CE2-CG 3.54Å; Y524-Q532 HydrophobicContact CG-CB 4.26Å; Y524-Q532 HydrophobicContact CG-CG 4.45Å; Y524-Q532 PolarHBondContact OH-NE2 3.43Å; Y524-A535 HydrophobicContact CD1-CB 4.18Å; Y524-A535 HydrophobicContact CG-CB 4.25Å; Y524-V550 HydrophobicContact CD1-CG1 3.93Å; Y524-V550 HydrophobicContact CE1-CG1 4.14Å; Y524-L551 WeakPolarHBondContact CD1-O 3.39Å; Y524-L551 WeakPolarHBondContact CE1-O 3.41Å; Y524-L551 PolarHBondContact N-O 2.77Å; Y524-L551 VanDerWaalsContact N-O 3.11Å; Y524-C552 HydrophobicContact CE1-CB 4.11Å; Y524-C552 VanDerWaalsContact CE1-N 3.32Å; Y524-C552 HydrophobicContact CE2-CB 4.09Å; Y524-M553 PolarHBondContact O-N 3.42Å; Y524-V570 VanDerWaalsContact CA-O 3.25Å; Y524-V570 WeakPolarHBondContact CA-O 3.38Å; Y524-V570 WeakPolarHBondContact CB-O 3.35Å
525	G	94.6	Very high	80.2	Confident	0 Å²	0	42.7 Å²	42.7	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	124.1	163	0	0	0	0	0	109	A531 T571 S572 N582	G525-A531 WeakPolarHBondContact O-CB 3.4Å; G525-T571 WeakPolarHBondContact O-CA 3.15Å; G525-T571 PolarHBondContact O-OG1 3.14Å; G525-S572 PolarHBondContact O-N 3.01Å; G525-S572 PolarHBondContact O-OG 3.02Å; G525-N582 WeakPolarHBondContact CA-OD1 3.34Å
526	S	87.7	Confident	82.1	Confident	7 Å²	7	44.4 Å²	44.4	5%	0.049	22%	0.215	C	C	.	.			trans	-154.1	117.5	-168	-164.9	0	0	0	0	112.9	G529 R530 A531 Q532 S572 N582	S526-G529 VanDerWaalsContact OG-C 3.27Å; S526-G529 VanDerWaalsContact OG-CA 3.27Å; S526-G529 WeakPolarHBondContact OG-CA 3.31Å; S526-G529 PolarHBondContact OG-N 2.85Å; S526-R530 PolarHBondContact OG-N 3.07Å; S526-A531 PolarHBondContact OG-N 3Å; S526-Q532 PolarHBondContact OG-N 2.93Å; S526-S572 WeakPolarHBondContact CA-OG 3.25Å; S526-N582 PolarHBondContact N-OD1 3.06Å; S526-N582 PolarHBondContact O-ND2 2.97Å; S526-N582 PolarHBondContact O-OD1 3.42Å
527	E	79.1	Confident	83.6	Confident	38 Å²	38	37.6 Å²	37.6	18%	0.178	19%	0.186	C	C	.	.	S	Bend	trans	-76.5	-68.3	168.9	-75.4	-77.4	165.2	0	0	111.3	G529 F574 P580 E581 R994	E527-G529 PolarHBondContact O-N 2.68Å; E527-G529 VanDerWaalsContact O-N 3.12Å; E527-F574 HydrophobicContact CB-CD2 4.17Å; E527-F574 HydrophobicContact CB-CE2 4.23Å; E527-F574 HydrophobicContact CG-CB 4.07Å; E527-F574 HydrophobicContact CG-CD1 3.94Å; E527-F574 HydrophobicContact CG-CD2 3.74Å; E527-F574 HydrophobicContact CG-CE1 4.29Å; E527-F574 HydrophobicContact CG-CE2 4.11Å; E527-F574 HydrophobicContact CG-CG 3.66Å; E527-F574 HydrophobicContact CG-CZ 4.37Å; E527-P580 HydrophobicContact CG-CB 4.1Å; E527-E581 WeakPolarHBondContact OE1-CB 3.42Å; E527-E581 PolarHBondContact OE1-N 3.17Å; E527-E581 VanDerWaalsContact OE1-N 3.1Å; E527-R994 IonicContact OE1-CZ 3.99Å; E527-R994 IonicContact OE1-NH1 2.99Å; E527-R994 PolarHBondContact OE1-NH1 3.02Å; E527-R994 IonicContact OE1-NH2 3.4Å; E527-R994 PolarHBondContact OE1-NH2 3.15Å; E527-R994 IonicContact OE2-CZ 2.73Å; E527-R994 IonicContact OE2-NH1 3.27Å; E527-R994 PolarHBondContact OE2-NH1 2.89Å; E527-R994 IonicContact OE2-NH2 3.02Å
528	T	70.3	Confident	84.6	Confident	73 Å²	73	32.9 Å²	32.9	45%	0.448	17%	0.169	S	C	.	.	S	Bend	trans	-86.6	25.1	-172.5	56.7	0	0	0	0	113.9	R530	T528-R530 PolarHBondContact O-N 3.27Å
529	G	68.3	Low	85.3	Confident	27 Å²	27	30.8 Å²	30.8	28%	0.278	16%	0.156	S	C	.	.	S	Bend	trans	64.3	-9	-177.4	0	0	0	0	0	117.1	S526 E527 A531 Q532 S533	S526-G529 VanDerWaalsContact OG-C 3.27Å; S526-G529 VanDerWaalsContact OG-CA 3.27Å; S526-G529 WeakPolarHBondContact OG-CA 3.31Å; S526-G529 PolarHBondContact OG-N 2.85Å; E527-G529 PolarHBondContact O-N 2.68Å; E527-G529 VanDerWaalsContact O-N 3.12Å; G529-A531 PolarHBondContact O-N 3.02Å; G529-Q532 WeakPolarHBondContact O-CB 3.11Å; G529-Q532 PolarHBondContact O-N 3.19Å; G529-S533 PolarHBondContact O-N 2.93Å
530	R	78.3	Confident	85.1	Confident	89 Å²	89	31.4 Å²	31.4	34%	0.336	16%	0.155	S	C	.	.	H	α-helix	trans	-60.1	-46.9	-176.9	-66.3	-175.9	70.6	152	8.1	112.8	S526 T528 S533 Y534 L652 E687	S526-R530 PolarHBondContact OG-N 3.07Å; T528-R530 PolarHBondContact O-N 3.27Å; R530-S533 PolarHBondContact O-N 3.22Å; R530-Y534 PolarHBondContact O-N 3.24Å; R530-Y534 VanDerWaalsContact O-N 3.1Å; R530-L652 HydrophobicContact CB-CD2 3.74Å; R530-E687 IonicContact CZ-OE1 2.74Å; R530-E687 IonicContact NH1-OE1 2.98Å; R530-E687 PolarHBondContact NH1-OE1 2.9Å
531	A	86.9	Confident	84.5	Confident	0 Å²	0	31.4 Å²	31.4	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-69.3	-37	180	0	0	0	0	0	111.6	G525 S526 G529 S533 Y534 A535 V570 L652	G525-A531 WeakPolarHBondContact O-CB 3.4Å; S526-A531 PolarHBondContact OG-N 3Å; G529-A531 PolarHBondContact O-N 3.02Å; A531-S533 PolarHBondContact O-N 2.88Å; A531-Y534 PolarHBondContact O-N 2.81Å; A531-A535 WeakPolarHBondContact O-CB 3.24Å; A531-A535 PolarHBondContact O-N 3.25Å; A531-V570 HydrophobicContact CB-CG1 4.38Å; A531-V570 WeakPolarHBondContact O-CG1 3.1Å; A531-L652 HydrophobicContact CB-CD1 3.77Å; A531-L652 HydrophobicContact CB-CD2 4.05Å; A531-L652 HydrophobicContact CB-CG 4.5Å
532	Q	83.9	Confident	84	Confident	60 Å²	60	31.3 Å²	31.3	28%	0.28	15%	0.154	S	C	.	.	H	α-helix	trans	-59.5	-44.6	171.3	-176.6	-172.5	66.6	0	0	111.9	Y524 S526 G529 Y534 A535 Q536	Y524-Q532 HydrophobicContact CD2-CB 3.64Å; Y524-Q532 HydrophobicContact CD2-CG 3.96Å; Y524-Q532 HydrophobicContact CE1-CG 4.19Å; Y524-Q532 HydrophobicContact CE2-CB 3.66Å; Y524-Q532 HydrophobicContact CE2-CG 3.54Å; Y524-Q532 HydrophobicContact CG-CB 4.26Å; Y524-Q532 HydrophobicContact CG-CG 4.45Å; Y524-Q532 PolarHBondContact OH-NE2 3.43Å; S526-Q532 PolarHBondContact OG-N 2.93Å; G529-Q532 WeakPolarHBondContact O-CB 3.11Å; G529-Q532 PolarHBondContact O-N 3.19Å; Q532-Y534 PolarHBondContact O-N 2.69Å; Q532-A535 PolarHBondContact O-N 2.76Å; Q532-Q536 WeakPolarHBondContact O-CG 3.33Å; Q532-Q536 PolarHBondContact O-N 2.68Å
533	S	74.3	Confident	83.3	Confident	48 Å²	48	37.7 Å²	37.7	34%	0.336	18%	0.178	S	C	.	.	H	α-helix	trans	-60.9	-43.3	176.2	178.2	0	0	0	0	112	G529 R530 A531 Q536 Q537	G529-S533 PolarHBondContact O-N 2.93Å; R530-S533 PolarHBondContact O-N 3.22Å; A531-S533 PolarHBondContact O-N 2.88Å; S533-Q536 PolarHBondContact O-N 2.99Å; S533-Q537 WeakPolarHBondContact O-CG 3.47Å; S533-Q537 PolarHBondContact O-N 3.02Å; S533-Q537 PolarHBondContact OG-NE2 2.76Å
534	Y	84.6	Confident	82.1	Confident	11 Å²	11	40.6 Å²	40.6	4%	0.043	19%	0.191	C	C	.	.	H	α-helix	trans	-65.5	-41	175.2	-71.3	-2.9	0	0	0	111.8	R530 A531 Q532 Q536 Q537 L538 F650 L652 Q691 E692 F695	R530-Y534 PolarHBondContact O-N 3.24Å; R530-Y534 VanDerWaalsContact O-N 3.1Å; A531-Y534 PolarHBondContact O-N 2.81Å; Q532-Y534 PolarHBondContact O-N 2.69Å; Y534-Q536 VanDerWaalsContact C-N 3.34Å; Y534-Q536 PolarHBondContact O-N 3.11Å; Y534-Q537 WeakPolarHBondContact O-CB 3.49Å; Y534-Q537 PolarHBondContact O-N 3.22Å; Y534-Q537 VanDerWaalsContact O-N 3.13Å; Y534-L538 WeakPolarHBondContact O-CB 3.45Å; Y534-L538 PolarHBondContact O-N 2.95Å; Y534-F650 HydrophobicContact CD2-CE1 4.25Å; Y534-F650 HydrophobicContact CE2-CE1 4.45Å; Y534-L652 HydrophobicContact CD2-CD1 4.09Å; Y534-L652 HydrophobicContact CD2-CD2 3.83Å; Y534-L652 HydrophobicContact CD2-CG 4.15Å; Y534-L652 HydrophobicContact CE2-CD2 3.82Å; Y534-L652 HydrophobicContact CE2-CG 4.21Å; Y534-Q691 HydrophobicContact CE2-CG 4.21Å; Y534-E692 HydrophobicContact CE1-CG 4.16Å; Y534-E692 WeakPolarHBondContact OH-CA 3.37Å; Y534-E692 WeakPolarHBondContact OH-CB 3.3Å; Y534-F695 AromaticContact CD1-CD1 3.74Å; Y534-F695 HydrophobicContact CD1-CD1 3.74Å; Y534-F695 AromaticContact CD1-CE1 3.95Å; Y534-F695 HydrophobicContact CD1-CE1 3.95Å; Y534-F695 HydrophobicContact CD1-CG 4.28Å; Y534-F695 HydrophobicContact CD2-CB 3.87Å; Y534-F695 AromaticContact CD2-CD1 3.91Å; Y534-F695 HydrophobicContact CD2-CD1 3.91Å; Y534-F695 AromaticContact CD2-CD2 3.89Å; Y534-F695 HydrophobicContact CD2-CD2 3.89Å; Y534-F695 HydrophobicContact CD2-CE2 4.49Å; Y534-F695 AromaticContact CD2-CG 3.57Å; Y534-F695 HydrophobicContact CD2-CG 3.57Å; Y534-F695 HydrophobicContact CE1-CD1 4.13Å; Y534-F695 HydrophobicContact CE2-CB 3.81Å; Y534-F695 HydrophobicContact CE2-CD1 4.3Å; Y534-F695 AromaticContact CE2-CG 3.99Å; Y534-F695 HydrophobicContact CE2-CG 3.99Å; Y534-F695 HydrophobicContact CG-CB 4.48Å; Y534-F695 AromaticContact CG-CD1 3.64Å; Y534-F695 HydrophobicContact CG-CD1 3.64Å; Y534-F695 HydrophobicContact CG-CD2 4.06Å; Y534-F695 AromaticContact CG-CE1 3.85Å; Y534-F695 HydrophobicContact CG-CE1 3.85Å; Y534-F695 HydrophobicContact CG-CE2 4.25Å; Y534-F695 AromaticContact CG-CG 3.76Å; Y534-F695 HydrophobicContact CG-CG 3.76Å; Y534-F695 HydrophobicContact CG-CZ 4.16Å; Y534-F695 VanDerWaalsContact O-CZ 3.26Å; Y534-F695 WeakPolarHBondContact O-CZ 3.45Å
535	A	89.1	Confident	81	Confident	0 Å²	0	39.9 Å²	39.9	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-60.8	-39.2	172.6	0	0	0	0	0	112.7	I522 Y524 A531 Q532 L538 G539 V550 V570	I522-A535 HydrophobicContact CG2-CB 4.02Å; Y524-A535 HydrophobicContact CD1-CB 4.18Å; Y524-A535 HydrophobicContact CG-CB 4.25Å; A531-A535 WeakPolarHBondContact O-CB 3.24Å; A531-A535 PolarHBondContact O-N 3.25Å; Q532-A535 PolarHBondContact O-N 2.76Å; A535-L538 PolarHBondContact O-N 3.46Å; A535-G539 PolarHBondContact O-N 3.04Å; A535-V550 HydrophobicContact CB-CG1 3.91Å; A535-V570 HydrophobicContact CB-CB 4.18Å; A535-V570 HydrophobicContact CB-CG2 4.47Å
536	Q	81.3	Confident	80.4	Confident	90 Å²	90	39.9 Å²	39.9	42%	0.421	19%	0.19	S	C	.	.	H	α-helix	trans	-69.7	-29.3	173.7	-69.9	172.9	10.4	0	0	113.3	Q532 S533 Y534 R540	Q532-Q536 WeakPolarHBondContact O-CG 3.33Å; Q532-Q536 PolarHBondContact O-N 2.68Å; S533-Q536 PolarHBondContact O-N 2.99Å; Y534-Q536 VanDerWaalsContact C-N 3.34Å; Y534-Q536 PolarHBondContact O-N 3.11Å; Q536-R540 WeakPolarHBondContact O-CG 3.32Å; Q536-R540 PolarHBondContact O-N 3.18Å; Q536-R540 PolarHBondContact O-NE 2.97Å
537	Q	78.9	Confident	80.2	Confident	49 Å²	49	43.5 Å²	43.5	23%	0.229	21%	0.209	C	C	.	.	H	α-helix	trans	-71.3	-44	170.5	-70.6	174.5	54.1	0	0	110.7	S533 Y534 G539 R540 L541 F695	S533-Q537 WeakPolarHBondContact O-CG 3.47Å; S533-Q537 PolarHBondContact O-N 3.02Å; S533-Q537 PolarHBondContact OG-NE2 2.76Å; Y534-Q537 WeakPolarHBondContact O-CB 3.49Å; Y534-Q537 PolarHBondContact O-N 3.22Å; Y534-Q537 VanDerWaalsContact O-N 3.13Å; Q537-G539 PolarHBondContact O-N 3.07Å; Q537-R540 WeakPolarHBondContact O-CB 3.31Å; Q537-R540 PolarHBondContact O-N 3.23Å; Q537-R540 VanDerWaalsContact O-N 3.14Å; Q537-L541 PolarHBondContact O-N 3.33Å; Q537-F695 HydrophobicContact CB-CE1 4.11Å; Q537-F695 HydrophobicContact CB-CZ 4.36Å
538	L	86.5	Confident	80.7	Confident	0 Å²	0	41.9 Å²	41.9	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-60.9	-43.3	175.5	-161.7	66.6	0	0	0	111.3	I522 Y534 A535 R540 L541 F542 L568 V570 F695 W698 A699	I522-L538 HydrophobicContact CD1-CB 4.3Å; I522-L538 HydrophobicContact CD1-CD2 4.4Å; I522-L538 HydrophobicContact CD1-CG 4.17Å; I522-L538 HydrophobicContact CG2-CD2 4.1Å; Y534-L538 WeakPolarHBondContact O-CB 3.45Å; Y534-L538 PolarHBondContact O-N 2.95Å; A535-L538 PolarHBondContact O-N 3.46Å; L538-R540 VanDerWaalsContact C-N 3.33Å; L538-R540 PolarHBondContact O-N 2.99Å; L538-L541 HydrophobicContact CD1-CD2 4.3Å; L538-L541 WeakPolarHBondContact O-CB 3.45Å; L538-L541 PolarHBondContact O-N 2.8Å; L538-L541 VanDerWaalsContact O-N 3.15Å; L538-F542 HydrophobicContact CD1-CD2 3.95Å; L538-F542 HydrophobicContact CD1-CE2 3.68Å; L538-F542 HydrophobicContact CG-CD2 3.94Å; L538-F542 HydrophobicContact CG-CE2 4.03Å; L538-F542 WeakPolarHBondContact O-CB 3.39Å; L538-F542 WeakPolarHBondContact O-CD2 3.35Å; L538-F542 PolarHBondContact O-N 3.28Å; L538-L568 HydrophobicContact CD2-CB 3.83Å; L538-L568 HydrophobicContact CD2-CD2 3.95Å; L538-L568 HydrophobicContact CD2-CG 4.44Å; L538-L568 HydrophobicContact CG-CD2 4.5Å; L538-V570 HydrophobicContact CD2-CG2 3.64Å; L538-F695 HydrophobicContact CB-CZ 4.37Å; L538-W698 HydrophobicContact CD1-CZ3 4Å; L538-W698 HydrophobicContact CD2-CH2 4.05Å; L538-W698 HydrophobicContact CD2-CZ3 3.87Å; L538-A699 HydrophobicContact CD1-CB 3.72Å
539	G	83.9	Confident	81.7	Confident	2 Å²	2	45.3 Å²	45.3	2%	0.021	21%	0.206	C	C	.	.	H	α-helix	trans	-61.5	-36.6	173.1	0	0	0	0	0	113.6	A535 Q537 R543 P548	A535-G539 PolarHBondContact O-N 3.04Å; Q537-G539 PolarHBondContact O-N 3.07Å; G539-R543 VanDerWaalsContact O-CB 3.24Å; G539-R543 WeakPolarHBondContact O-CB 3.4Å; G539-R543 PolarHBondContact O-N 3.24Å; G539-P548 VanDerWaalsContact O-CG 3.27Å; G539-P548 WeakPolarHBondContact O-CG 3.28Å
540	R	78.8	Confident	82.9	Confident	140 Å²	140	46.1 Å²	46.1	53%	0.528	21%	0.206	S	C	.	.	H	α-helix	trans	-68.7	-33.7	173.7	-78.4	175.2	-77	-179.5	-5.6	112.8	Q536 Q537 L538 I723	Q536-R540 WeakPolarHBondContact O-CG 3.32Å; Q536-R540 PolarHBondContact O-N 3.18Å; Q536-R540 PolarHBondContact O-NE 2.97Å; Q537-R540 WeakPolarHBondContact O-CB 3.31Å; Q537-R540 PolarHBondContact O-N 3.23Å; Q537-R540 VanDerWaalsContact O-N 3.14Å; L538-R540 VanDerWaalsContact C-N 3.33Å; L538-R540 PolarHBondContact O-N 2.99Å; R540-I723 WeakPolarHBondContact O-CD1 3.48Å
541	L	79.6	Confident	83.6	Confident	1 Å²	1	43.2 Å²	43.2	1%	0.005	20%	0.197	C	C	.	.	H	α-helix	trans	-68.4	-55.5	172.1	174	67.5	0	0	0	111.3	Q537 L538 R543 K544 A699 F703 I723 F724	Q537-L541 PolarHBondContact O-N 3.33Å; L538-L541 HydrophobicContact CD1-CD2 4.3Å; L538-L541 WeakPolarHBondContact O-CB 3.45Å; L538-L541 PolarHBondContact O-N 2.8Å; L538-L541 VanDerWaalsContact O-N 3.15Å; L541-R543 PolarHBondContact O-N 2.9Å; L541-K544 WeakPolarHBondContact O-CB 3.31Å; L541-K544 PolarHBondContact O-N 3.46Å; L541-A699 HydrophobicContact CD2-CB 4.4Å; L541-A699 WeakPolarHBondContact CD2-O 3.47Å; L541-F703 HydrophobicContact CD1-CB 4.42Å; L541-F703 HydrophobicContact CD1-CD1 4.45Å; L541-F703 HydrophobicContact CD1-CD2 4.06Å; L541-F703 HydrophobicContact CD1-CE2 4.42Å; L541-F703 HydrophobicContact CD1-CG 4.05Å; L541-F703 HydrophobicContact CD2-CB 3.62Å; L541-F703 HydrophobicContact CD2-CD2 4.19Å; L541-F703 HydrophobicContact CD2-CG 4.08Å; L541-F703 HydrophobicContact CG-CB 4.02Å; L541-F703 HydrophobicContact CG-CD2 3.64Å; L541-F703 HydrophobicContact CG-CE2 4.28Å; L541-F703 HydrophobicContact CG-CG 3.89Å; L541-F703 WeakPolarHBondContact O-CE2 3.38Å; L541-I723 HydrophobicContact CB-CD1 4.42Å; L541-I723 HydrophobicContact CB-CG2 4.33Å; L541-I723 HydrophobicContact CD1-CB 4.24Å; L541-I723 HydrophobicContact CD1-CD1 4.49Å; L541-I723 HydrophobicContact CD1-CG2 3.78Å; L541-F724 HydrophobicContact CD1-CE2 3.93Å; L541-F724 HydrophobicContact CD2-CE2 3.54Å; L541-F724 HydrophobicContact CD2-CZ 3.78Å; L541-F724 HydrophobicContact CG-CE2 4.32Å
542	F	85.7	Confident	83.8	Confident	0 Å²	0	43.6 Å²	43.6	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-61.5	-29.8	-176.8	-86.6	-104.5	0	0	0	112.2	A520 I522 L538 K544 A545 F546 P548 L566 L568 F703 A706	A520-F542 HydrophobicContact CB-CD1 4.19Å; I522-F542 HydrophobicContact CD1-CB 4.39Å; L538-F542 HydrophobicContact CD1-CD2 3.95Å; L538-F542 HydrophobicContact CD1-CE2 3.68Å; L538-F542 HydrophobicContact CG-CD2 3.94Å; L538-F542 HydrophobicContact CG-CE2 4.03Å; L538-F542 WeakPolarHBondContact O-CB 3.39Å; L538-F542 WeakPolarHBondContact O-CD2 3.35Å; L538-F542 PolarHBondContact O-N 3.28Å; F542-K544 PolarHBondContact O-N 3.35Å; F542-A545 PolarHBondContact O-N 3.19Å; F542-F546 HydrophobicContact CB-CB 4.35Å; F542-F546 HydrophobicContact CB-CD2 4.37Å; F542-F546 HydrophobicContact CD1-CB 4.24Å; F542-F546 AromaticContact CD1-CD2 3.37Å; F542-F546 HydrophobicContact CD1-CD2 3.37Å; F542-F546 AromaticContact CD1-CE2 3.9Å; F542-F546 HydrophobicContact CD1-CE2 3.9Å; F542-F546 AromaticContact CD1-CG 3.83Å; F542-F546 HydrophobicContact CD1-CG 3.83Å; F542-F546 AromaticContact CE1-CD2 3.91Å; F542-F546 HydrophobicContact CE1-CD2 3.91Å; F542-F546 AromaticContact CE1-CE2 3.94Å; F542-F546 HydrophobicContact CE1-CE2 3.94Å; F542-F546 HydrophobicContact CG-CD2 4.2Å; F542-F546 WeakPolarHBondContact O-CB 3.43Å; F542-F546 PolarHBondContact O-N 3.26Å; F542-P548 HydrophobicContact CB-CB 4.01Å; F542-P548 HydrophobicContact CB-CG 4.12Å; F542-L566 HydrophobicContact CD1-CD2 4.44Å; F542-L566 HydrophobicContact CE1-CD2 4.02Å; F542-L568 HydrophobicContact CD1-CD1 3.99Å; F542-L568 HydrophobicContact CE1-CD1 3.74Å; F542-L568 HydrophobicContact CE1-CD2 3.98Å; F542-L568 HydrophobicContact CE2-CD2 3.75Å; F542-L568 HydrophobicContact CZ-CD1 4.02Å; F542-L568 HydrophobicContact CZ-CD2 3.39Å; F542-L568 HydrophobicContact CZ-CG 4.37Å; F542-F703 HydrophobicContact CD1-CD2 4.36Å; F542-F703 AromaticContact CD2-CD2 3.92Å; F542-F703 HydrophobicContact CD2-CD2 3.92Å; F542-F703 HydrophobicContact CE1-CD2 4.37Å; F542-F703 HydrophobicContact CE2-CB 3.82Å; F542-F703 AromaticContact CE2-CD2 3.96Å; F542-F703 HydrophobicContact CE2-CD2 3.96Å; F542-F703 HydrophobicContact CE2-CG 4.41Å; F542-F703 HydrophobicContact CG-CD2 4.13Å; F542-F703 HydrophobicContact CZ-CB 4Å; F542-F703 HydrophobicContact CZ-CD2 4.18Å; F542-A706 HydrophobicContact CE1-CB 3.74Å; F542-A706 HydrophobicContact CZ-CB 4.13Å
543	R	82.4	Confident	84.3	Confident	134 Å²	134	40.8 Å²	40.8	51%	0.506	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.9	2.3	174.8	-163	170.6	-67.7	153.4	2.6	114.4	R517 G539 L541 P548	R517-R543 PolarHBondContact NH1-O 3.18Å; G539-R543 VanDerWaalsContact O-CB 3.24Å; G539-R543 WeakPolarHBondContact O-CB 3.4Å; G539-R543 PolarHBondContact O-N 3.24Å; L541-R543 PolarHBondContact O-N 2.9Å; R543-P548 HydrophobicContact CB-CG 3.73Å; R543-P548 HydrophobicContact CG-CG 4.41Å; R543-P548 PolarHBondContact NH2-O 2.8Å
544	K	73.8	Confident	84.9	Confident	60 Å²	60	43.3 Å²	43.3	26%	0.261	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.6	-23	165.3	-70.1	-175.3	162.5	-179.3	0	113.9	L541 F542 F703 A719 D722 I723	L541-K544 WeakPolarHBondContact O-CB 3.31Å; L541-K544 PolarHBondContact O-N 3.46Å; F542-K544 PolarHBondContact O-N 3.35Å; K544-F703 HydrophobicContact CB-CZ 4.34Å; K544-A719 HydrophobicContact CD-CB 3.96Å; K544-A719 WeakPolarHBondContact CD-O 3.34Å; K544-A719 WeakPolarHBondContact CE-O 3.31Å; K544-A719 PolarHBondContact NZ-O 3.01Å; K544-D722 PolarHBondContact NZ-O 3.49Å; K544-D722 IonicContact NZ-OD2 2.72Å; K544-I723 HydrophobicContact CD-CD1 3.89Å; K544-I723 HydrophobicContact CD-CG1 4.48Å; K544-I723 HydrophobicContact CG-CD1 4.44Å
545	A	72.4	Confident	84.8	Confident	8 Å²	8	49.2 Å²	49.2	7%	0.066	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-134.8	-29.3	-172.2	0	0	0	0	0	114.3	F542 F703 V712 A716	F542-A545 PolarHBondContact O-N 3.19Å; A545-F703 HydrophobicContact CB-CE2 3.77Å; A545-F703 HydrophobicContact CB-CZ 3.62Å; A545-V712 HydrophobicContact CB-CB 4.38Å; A545-V712 HydrophobicContact CB-CG1 3.85Å; A545-A716 HydrophobicContact CB-CB 4.01Å
546	F	82.8	Confident	84.8	Confident	0 Å²	0	50.1 Å²	50.1	0%	0	23%	0.227	C	C	.	.	S	Bend	trans	-116.1	172.8	-173	-62.4	-87.7	0	0	0	110.7	R517 V518 A520 F542 P548 L566 F703 A706 F710 V712	R517-F546 VanDerWaalsContact CB-C 3.41Å; R517-F546 VanDerWaalsContact CD-C 3.5Å; R517-F546 WeakPolarHBondContact CD-O 3.21Å; R517-F546 PolarHBondContact NH1-O 3.33Å; V518-F546 HydrophobicContact CB-CD1 3.82Å; V518-F546 HydrophobicContact CB-CE1 4.11Å; V518-F546 HydrophobicContact CG1-CD1 4.13Å; V518-F546 HydrophobicContact CG1-CE1 4.27Å; V518-F546 WeakPolarHBondContact O-CA 3.47Å; V518-F546 WeakPolarHBondContact O-CB 3.46Å; A520-F546 HydrophobicContact CB-CB 3.82Å; A520-F546 HydrophobicContact CB-CD1 4.34Å; A520-F546 HydrophobicContact CB-CG 4.22Å; F542-F546 HydrophobicContact CB-CB 4.35Å; F542-F546 HydrophobicContact CB-CD2 4.37Å; F542-F546 HydrophobicContact CD1-CB 4.24Å; F542-F546 AromaticContact CD1-CD2 3.37Å; F542-F546 HydrophobicContact CD1-CD2 3.37Å; F542-F546 AromaticContact CD1-CE2 3.9Å; F542-F546 HydrophobicContact CD1-CE2 3.9Å; F542-F546 AromaticContact CD1-CG 3.83Å; F542-F546 HydrophobicContact CD1-CG 3.83Å; F542-F546 AromaticContact CE1-CD2 3.91Å; F542-F546 HydrophobicContact CE1-CD2 3.91Å; F542-F546 AromaticContact CE1-CE2 3.94Å; F542-F546 HydrophobicContact CE1-CE2 3.94Å; F542-F546 HydrophobicContact CG-CD2 4.2Å; F542-F546 WeakPolarHBondContact O-CB 3.43Å; F542-F546 PolarHBondContact O-N 3.26Å; F546-P548 VanDerWaalsContact C-CD 3.44Å; F546-P548 WeakPolarHBondContact O-CD 3.47Å; F546-L566 HydrophobicContact CD1-CD2 3.95Å; F546-L566 HydrophobicContact CE1-CD2 3.78Å; F546-L566 HydrophobicContact CZ-CD2 4.31Å; F546-F703 HydrophobicContact CD2-CE2 4.29Å; F546-F703 HydrophobicContact CE2-CE2 4.33Å; F546-A706 HydrophobicContact CE1-CB 4.44Å; F546-A706 HydrophobicContact CE2-CB 3.99Å; F546-A706 HydrophobicContact CZ-CB 3.64Å; F546-F710 HydrophobicContact CE1-CB 4.03Å; F546-F710 AromaticContact CE1-CD2 3.81Å; F546-F710 HydrophobicContact CE1-CD2 3.81Å; F546-F710 HydrophobicContact CE1-CG 4.08Å; F546-F710 HydrophobicContact CZ-CB 4.36Å; F546-F710 HydrophobicContact CZ-CD2 4.24Å; F546-V712 HydrophobicContact CE1-CG2 4.4Å; F546-V712 HydrophobicContact CZ-CG2 4.09Å
547	D	82.6	Confident	84.8	Confident	84 Å²	84	50.7 Å²	50.7	45%	0.449	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	88.5	164.7	-176.4	30.2	0	0	0	109.8	R517 V518 A520	R517-D547 HydrophobicContact CB-CB 4.16Å; V518-D547 PolarHBondContact O-N 3.3Å; A520-D547 PolarHBondContact N-O 3.21Å
548	P	89.7	Confident	84.8	Confident	4 Å²	4	49 Å²	49	3%	0.026	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	124.3	-173.8	33.4	-35.5	0	0	0	113.6	A520 I522 G539 F542 R543 F546	A520-P548 HydrophobicContact CB-CB 4.33Å; A520-P548 WeakPolarHBondContact O-CA 3.35Å; I522-P548 HydrophobicContact CD1-CB 3.94Å; I522-P548 HydrophobicContact CG1-CB 4.47Å; G539-P548 VanDerWaalsContact O-CG 3.27Å; G539-P548 WeakPolarHBondContact O-CG 3.28Å; F542-P548 HydrophobicContact CB-CB 4.01Å; F542-P548 HydrophobicContact CB-CG 4.12Å; R543-P548 HydrophobicContact CB-CG 3.73Å; R543-P548 HydrophobicContact CG-CG 4.41Å; R543-P548 PolarHBondContact NH2-O 2.8Å; F546-P548 VanDerWaalsContact C-CD 3.44Å; F546-P548 WeakPolarHBondContact O-CD 3.47Å
549	R	92.1	Very high	83.9	Confident	144 Å²	144	53 Å²	53	54%	0.543	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	120.6	165.2	-65.1	-180	67.3	-158.5	-0.2	108.3	A520 I522 L551	A520-R549 PolarHBondContact O-N 2.93Å; I522-R549 PolarHBondContact N-O 3.06Å; R549-L551 HydrophobicContact CB-CG 4.4Å
550	V	92.4	Very high	83.5	Confident	45 Å²	45	55 Å²	55	27%	0.273	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	120.1	172.3	-175.6	0	0	0	0	107.4	I522 Y524 A535	I522-V550 HydrophobicContact CB-CG2 4.16Å; I522-V550 HydrophobicContact CD1-CG2 4.34Å; I522-V550 WeakPolarHBondContact O-CA 3.21Å; Y524-V550 HydrophobicContact CD1-CG1 3.93Å; Y524-V550 HydrophobicContact CE1-CG1 4.14Å; A535-V550 HydrophobicContact CB-CG1 3.91Å
551	L	93.3	Very high	83.4	Confident	28 Å²	28	48.3 Å²	48.3	15%	0.147	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	146.4	-173.1	-60.1	173.9	0	0	0	110.1	T521 I522 L523 Y524 R549 Y556	T521-L551 HydrophobicContact CG2-CD1 4.46Å; I522-L551 PolarHBondContact O-N 2.9Å; L523-L551 WeakPolarHBondContact CA-O 3.48Å; L523-L551 HydrophobicContact CD2-CB 4.19Å; Y524-L551 WeakPolarHBondContact CD1-O 3.39Å; Y524-L551 WeakPolarHBondContact CE1-O 3.41Å; Y524-L551 PolarHBondContact N-O 2.77Å; Y524-L551 VanDerWaalsContact N-O 3.11Å; R549-L551 HydrophobicContact CB-CG 4.4Å; L551-Y556 HydrophobicContact CD1-CD2 3.81Å; L551-Y556 HydrophobicContact CD1-CE2 4.45Å
552	C	91.2	Very high	83.2	Confident	8 Å²	8	51.6 Å²	51.6	5%	0.054	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	150.2	166.8	-157.3	0	0	0	0	109.8	Y524 D554 E555	Y524-C552 HydrophobicContact CE1-CB 4.11Å; Y524-C552 VanDerWaalsContact CE1-N 3.32Å; Y524-C552 HydrophobicContact CE2-CB 4.09Å; C552-D554 VanDerWaalsContact C-N 3.26Å; C552-D554 PolarHBondContact O-N 2.97Å; C552-E555 HydrophobicContact CB-CB 4.1Å; C552-E555 HydrophobicContact CB-CG 3.74Å; C552-E555 WeakPolarHBondContact CB-OE2 3.48Å; C552-E555 PolarHBondContact N-OE2 2.94Å; C552-E555 PolarHBondContact O-N 3.42Å; C552-E555 VanDerWaalsContact O-N 3.13Å
553	M	94.4	Very high	82.3	Confident	1 Å²	1	57.1 Å²	57.1	1%	0.005	28%	0.28	C	S	.	.	G	3₁₀ helix	trans	-59.6	-39.4	174	-83.7	172.4	172.9	0	0	111.9	L523 Y524 E555 Y556 V569 N582 F586 F663	L523-M553 HydrophobicContact CB-CE 4.42Å; L523-M553 HydrophobicContact CB-CG 4.16Å; Y524-M553 PolarHBondContact O-N 3.42Å; M553-E555 PolarHBondContact O-N 2.88Å; M553-Y556 PolarHBondContact O-N 3.27Å; M553-V569 HydrophobicContact CE-CG1 3.43Å; M553-V569 VanDerWaalsContact CE-CG1 3.43Å; M553-N582 WeakPolarHBondContact CB-O 3.46Å; M553-F586 HydrophobicContact CB-CB 3.75Å; M553-F586 HydrophobicContact CB-CD2 4.44Å; M553-F586 HydrophobicContact CB-CG 4.06Å; M553-F586 HydrophobicContact CE-CD1 4.07Å; M553-F586 HydrophobicContact CE-CE1 4.07Å; M553-F586 HydrophobicContact CG-CB 4.13Å; M553-F586 HydrophobicContact CG-CD1 4.12Å; M553-F586 HydrophobicContact CG-CD2 4.25Å; M553-F586 HydrophobicContact CG-CG 3.91Å; M553-F586 HydrophobicContact SD-CD1 4Å; M553-F586 HydrophobicContact SD-CG 4.31Å; M553-F663 HydrophobicContact CE-CE1 4.2Å; M553-F663 HydrophobicContact CE-CZ 4.24Å; M553-F663 HydrophobicContact SD-CE1 3.66Å; M553-F663 HydrophobicContact SD-CZ 3.74Å
554	D	86.8	Confident	82.2	Confident	100 Å²	100	51.6 Å²	51.6	54%	0.535	26%	0.26	S	S	.	.	G	3₁₀ helix	trans	-70.2	-15	176.8	-148	36.6	0	0	0	113.9	C552 N582 S585	C552-D554 VanDerWaalsContact C-N 3.26Å; C552-D554 PolarHBondContact O-N 2.97Å; D554-N582 HydrophobicContact CB-CB 4.3Å; D554-N582 PolarHBondContact N-O 3.41Å; D554-S585 WeakPolarHBondContact OD1-CB 3.19Å; D554-S585 PolarHBondContact OD1-OG 3.29Å
555	E	84.4	Confident	82.5	Confident	135 Å²	135	51.3 Å²	51.3	63%	0.631	26%	0.263	S	S	*	.	G	3₁₀ helix	trans	-94.4	3.1	175.4	-65.6	170.1	150.1	0	0	112.4	C552 M553	C552-E555 HydrophobicContact CB-CB 4.1Å; C552-E555 HydrophobicContact CB-CG 3.74Å; C552-E555 WeakPolarHBondContact CB-OE2 3.48Å; C552-E555 PolarHBondContact N-OE2 2.94Å; C552-E555 PolarHBondContact O-N 3.42Å; C552-E555 VanDerWaalsContact O-N 3.13Å; M553-E555 PolarHBondContact O-N 2.88Å
556	Y	87.5	Confident	83.3	Confident	19 Å²	19	51 Å²	51	8%	0.075	26%	0.26	C	S	.	.	S	Bend	trans	-121.5	118.5	-166.9	-176.8	-98.6	0	0	0	113.6	T521 L523 L551 M553 V558 S560 L561 E564 F586	T521-Y556 HydrophobicContact CG2-CD2 4.25Å; T521-Y556 HydrophobicContact CG2-CE2 3.7Å; L523-Y556 HydrophobicContact CD1-CD1 3.78Å; L523-Y556 HydrophobicContact CD1-CE1 3.85Å; L523-Y556 HydrophobicContact CD1-CG 4.27Å; L523-Y556 HydrophobicContact CD2-CD1 3.92Å; L523-Y556 HydrophobicContact CD2-CD2 3.66Å; L523-Y556 HydrophobicContact CD2-CE1 4.35Å; L523-Y556 HydrophobicContact CD2-CE2 4.13Å; L523-Y556 HydrophobicContact CD2-CG 3.53Å; L551-Y556 HydrophobicContact CD1-CD2 3.81Å; L551-Y556 HydrophobicContact CD1-CE2 4.45Å; M553-Y556 PolarHBondContact O-N 3.27Å; Y556-V558 PolarHBondContact O-N 3.46Å; Y556-S560 WeakPolarHBondContact OH-CB 3.36Å; Y556-L561 HydrophobicContact CE1-CD2 3.87Å; Y556-L561 HydrophobicContact CE1-CG 4.04Å; Y556-E564 WeakPolarHBondContact OH-CG 3.27Å; Y556-E564 PolarHBondContact OH-OE1 3.25Å; Y556-F586 HydrophobicContact CD1-CD2 4.16Å; Y556-F586 AromaticContact CD1-CE2 3.9Å; Y556-F586 HydrophobicContact CD1-CE2 3.9Å; Y556-F586 HydrophobicContact CE1-CE2 4.22Å
557	D	81.4	Confident	84	Confident	102 Å²	102	51 Å²	51	55%	0.545	26%	0.26	S	S	.	.			trans	-68.2	110.5	171.1	178.3	2.1	0	0	0	110.9	V559 S560	D557-V559 PolarHBondContact O-N 3.22Å; D557-V559 WeakPolarHBondContact OD1-CB 3.38Å; D557-V559 WeakPolarHBondContact OD1-CG2 3.36Å; D557-V559 PolarHBondContact OD1-N 2.96Å; D557-S560 WeakPolarHBondContact O-CB 3.32Å; D557-S560 PolarHBondContact O-N 2.51Å; D557-S560 PolarHBondContact O-OG 3.46Å
558	V	78.9	Confident	84.7	Confident	13 Å²	13	47 Å²	47	8%	0.079	24%	0.239	C	C	.	.	G	3₁₀ helix	trans	-59.7	-25.6	-178.9	-174	0	0	0	0	112.9	Y556 S560 L561 F586 A589 M593	Y556-V558 PolarHBondContact O-N 3.46Å; V558-S560 PolarHBondContact O-N 2.94Å; V558-L561 HydrophobicContact CG1-CD1 3.72Å; V558-L561 HydrophobicContact CG1-CG 4.42Å; V558-L561 VanDerWaalsContact O-CB 3.31Å; V558-L561 WeakPolarHBondContact O-CB 3.41Å; V558-L561 VanDerWaalsContact O-CG 3.27Å; V558-L561 WeakPolarHBondContact O-CG 3.18Å; V558-L561 PolarHBondContact O-N 3.48Å; V558-F586 HydrophobicContact CG2-CD2 3.56Å; V558-F586 HydrophobicContact CG2-CE2 4.01Å; V558-F586 HydrophobicContact CG2-CG 4.24Å; V558-A589 HydrophobicContact CB-CB 4.01Å; V558-A589 HydrophobicContact CG1-CB 4.2Å; V558-A589 HydrophobicContact CG2-CB 3.79Å; V558-M593 HydrophobicContact CG1-SD 3.86Å
559	V	67.7	Low	85.1	Confident	86 Å²	86	46.8 Å²	46.8	52%	0.521	24%	0.237	S	C	.	.	G	3₁₀ helix	trans	-65.3	-21.4	174.9	-174.7	0	0	0	0	111.4	D557 L561	D557-V559 PolarHBondContact O-N 3.22Å; D557-V559 WeakPolarHBondContact OD1-CB 3.38Å; D557-V559 WeakPolarHBondContact OD1-CG2 3.36Å; D557-V559 PolarHBondContact OD1-N 2.96Å; V559-L561 PolarHBondContact O-N 3.23Å
560	S	75.4	Confident	85.4	Confident	42 Å²	42	39.9 Å²	39.9	29%	0.294	21%	0.212	S	C	.	.	G	3₁₀ helix	trans	-62.8	-23.7	173.1	-57.3	0	0	0	0	113	Y556 D557 V558 E562 H563 E564	Y556-S560 WeakPolarHBondContact OH-CB 3.36Å; D557-S560 WeakPolarHBondContact O-CB 3.32Å; D557-S560 PolarHBondContact O-N 2.51Å; D557-S560 PolarHBondContact O-OG 3.46Å; V558-S560 PolarHBondContact O-N 2.94Å; S560-E562 PolarHBondContact O-N 3.21Å; S560-H563 WeakPolarHBondContact O-CA 3.17Å; S560-H563 WeakPolarHBondContact O-CB 3.35Å; S560-H563 PolarHBondContact O-N 3Å; S560-E564 PolarHBondContact O-N 3.36Å
561	L	78.2	Confident	85.6	Confident	0 Å²	0	37.8 Å²	37.8	0%	0	20%	0.199	C	C	.	.	G	3₁₀ helix	trans	-57.2	-33.5	-178.1	-69	177.2	0	0	0	113.2	Y556 V558 V559 H563 E564 V567 F586 L590 L642 L645 L671	Y556-L561 HydrophobicContact CE1-CD2 3.87Å; Y556-L561 HydrophobicContact CE1-CG 4.04Å; V558-L561 HydrophobicContact CG1-CD1 3.72Å; V558-L561 HydrophobicContact CG1-CG 4.42Å; V558-L561 VanDerWaalsContact O-CB 3.31Å; V558-L561 WeakPolarHBondContact O-CB 3.41Å; V558-L561 VanDerWaalsContact O-CG 3.27Å; V558-L561 WeakPolarHBondContact O-CG 3.18Å; V558-L561 PolarHBondContact O-N 3.48Å; V559-L561 PolarHBondContact O-N 3.23Å; L561-H563 PolarHBondContact O-N 3.45Å; L561-E564 PolarHBondContact O-N 3Å; L561-V567 HydrophobicContact CD2-CG2 3.97Å; L561-F586 HydrophobicContact CD1-CZ 4.43Å; L561-L590 HydrophobicContact CD1-CD1 4.05Å; L561-L642 VanDerWaalsContact C-CD2 3.48Å; L561-L642 HydrophobicContact CB-CD1 4.36Å; L561-L642 HydrophobicContact CB-CD2 3.54Å; L561-L642 HydrophobicContact CD1-CD1 4.35Å; L561-L645 HydrophobicContact CD2-CD2 4.43Å; L561-L671 HydrophobicContact CD1-CD2 3.91Å; L561-L671 HydrophobicContact CD2-CD2 4.49Å
562	E	73.3	Confident	85.6	Confident	70 Å²	70	37.1 Å²	37.1	33%	0.327	20%	0.196	S	C	.	.	G	3₁₀ helix	trans	-63.8	-22.5	177	-59.4	-172.8	160.4	0	0	112.4	S560 M593 L642	S560-E562 PolarHBondContact O-N 3.21Å; E562-M593 HydrophobicContact CG-CE 4.32Å; E562-L642 HydrophobicContact CG-CD2 4.01Å
563	H	68.5	Low	85.4	Confident	117 Å²	117	37.8 Å²	37.8	54%	0.542	20%	0.2	S	C	.	.	G	3₁₀ helix	trans	-106.2	-7.2	-175.6	-57.4	83.5	0	0	0	113	S560 L561	S560-H563 WeakPolarHBondContact O-CA 3.17Å; S560-H563 WeakPolarHBondContact O-CB 3.35Å; S560-H563 PolarHBondContact O-N 3Å; L561-H563 PolarHBondContact O-N 3.45Å
564	E	79.6	Confident	84.7	Confident	18 Å²	18	41.6 Å²	41.6	8%	0.084	22%	0.217	C	C	.	.			trans	-79.1	140.5	179.7	-73.9	-68.7	-172.9	0	0	112.6	T521 Y556 S560 L561 V567 L645	T521-E564 WeakPolarHBondContact CB-OE1 3.2Å; T521-E564 VanDerWaalsContact OG1-CD 3.24Å; T521-E564 PolarHBondContact OG1-OE1 3.24Å; T521-E564 PolarHBondContact OG1-OE2 2.91Å; Y556-E564 WeakPolarHBondContact OH-CG 3.27Å; Y556-E564 PolarHBondContact OH-OE1 3.25Å; S560-E564 PolarHBondContact O-N 3.36Å; L561-E564 PolarHBondContact O-N 3Å; E564-V567 HydrophobicContact CB-CG2 3.76Å; E564-V567 HydrophobicContact CG-CG2 3.79Å; E564-L645 HydrophobicContact CB-CD1 3.83Å
565	T	79.2	Confident	84.2	Confident	54 Å²	54	38.4 Å²	38.4	33%	0.331	21%	0.208	S	C	.	.	S	Bend	trans	-88	-38.1	173.6	47	0	0	0	0	112.6	K519 R646 F710	K519-T565 PolarHBondContact O-OG1 3.48Å; T565-R646 WeakPolarHBondContact O-CB 3.41Å; T565-R646 PolarHBondContact O-N 3.3Å; T565-R646 VanDerWaalsContact O-N 3.09Å; T565-F710 WeakPolarHBondContact O-CZ 3.41Å
566	L	90.6	Very high	83.6	Confident	0 Å²	0	32.7 Å²	32.7	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	117.9	-177.4	174.8	57.8	0	0	0	110.6	A520 T521 F542 F546 L568 R646 L679 A706 F710	A520-L566 CarbonylContact C-O 3.5Å; A520-L566 WeakPolarHBondContact CA-O 3.44Å; A520-L566 HydrophobicContact CB-CD2 4.04Å; A520-L566 HydrophobicContact CB-CG 4.33Å; T521-L566 PolarHBondContact N-O 3.06Å; F542-L566 HydrophobicContact CD1-CD2 4.44Å; F542-L566 HydrophobicContact CE1-CD2 4.02Å; F546-L566 HydrophobicContact CD1-CD2 3.95Å; F546-L566 HydrophobicContact CE1-CD2 3.78Å; F546-L566 HydrophobicContact CZ-CD2 4.31Å; L566-L568 HydrophobicContact CD1-CD1 4.22Å; L566-L568 HydrophobicContact CD1-CG 4.49Å; L566-L568 HydrophobicContact CD2-CD1 4.2Å; L566-L568 HydrophobicContact CG-CD1 3.93Å; L566-R646 CarbonylContact C-O 3.56Å; L566-R646 VanDerWaalsContact CA-O 3.31Å; L566-R646 WeakPolarHBondContact CA-O 3.35Å; L566-R646 HydrophobicContact CD1-CB 4.19Å; L566-L679 HydrophobicContact CD1-CD1 4.05Å; L566-A706 HydrophobicContact CD2-CB 4Å; L566-F710 HydrophobicContact CB-CE2 3.94Å; L566-F710 HydrophobicContact CB-CZ 4.01Å; L566-F710 HydrophobicContact CD1-CE2 4.23Å; L566-F710 HydrophobicContact CD2-CD2 4.25Å; L566-F710 HydrophobicContact CD2-CE2 3.88Å; L566-F710 HydrophobicContact CG-CE2 4.24Å
567	V	96.1	Very high	82.9	Confident	0 Å²	0	31.9 Å²	31.9	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	130.7	172.3	174.9	0	0	0	0	110.8	T521 L523 L561 E564 V569 L645 R646 F647 C648	T521-V567 CarbonylContact O-C 3.54Å; T521-V567 VanDerWaalsContact O-CA 3.24Å; T521-V567 WeakPolarHBondContact O-CA 3.28Å; L523-V567 HydrophobicContact CD1-CG1 4.03Å; L523-V567 HydrophobicContact CG-CG1 4.19Å; L561-V567 HydrophobicContact CD2-CG2 3.97Å; E564-V567 HydrophobicContact CB-CG2 3.76Å; E564-V567 HydrophobicContact CG-CG2 3.79Å; V567-V569 HydrophobicContact CG1-CG2 3.99Å; V567-L645 HydrophobicContact CB-CD1 3.93Å; V567-L645 HydrophobicContact CG2-CD1 3.61Å; V567-R646 PolarHBondContact N-O 3.4Å; V567-F647 WeakPolarHBondContact O-CA 3.49Å; V567-F647 WeakPolarHBondContact O-CB 3.18Å; V567-C648 PolarHBondContact O-N 3.15Å
568	L	97.8	Very high	82.9	Confident	0 Å²	0	29 Å²	29	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	128.1	168.1	-59.3	103.9	0	0	0	109.6	A520 T521 I522 L523 L538 F542 L566 C648 W698 A702	A520-L568 HydrophobicContact CB-CD1 4.36Å; T521-L568 PolarHBondContact O-N 2.92Å; I522-L568 CarbonylContact C-O 3.46Å; I522-L568 VanDerWaalsContact CA-O 3.25Å; I522-L568 WeakPolarHBondContact CA-O 3.34Å; I522-L568 HydrophobicContact CG1-CB 4.31Å; I522-L568 HydrophobicContact CG1-CD1 4.11Å; L523-L568 PolarHBondContact N-O 3.11Å; L538-L568 HydrophobicContact CD2-CB 3.83Å; L538-L568 HydrophobicContact CD2-CD2 3.95Å; L538-L568 HydrophobicContact CD2-CG 4.44Å; L538-L568 HydrophobicContact CG-CD2 4.5Å; F542-L568 HydrophobicContact CD1-CD1 3.99Å; F542-L568 HydrophobicContact CE1-CD1 3.74Å; F542-L568 HydrophobicContact CE1-CD2 3.98Å; F542-L568 HydrophobicContact CE2-CD2 3.75Å; F542-L568 HydrophobicContact CZ-CD1 4.02Å; F542-L568 HydrophobicContact CZ-CD2 3.39Å; F542-L568 HydrophobicContact CZ-CG 4.37Å; L566-L568 HydrophobicContact CD1-CD1 4.22Å; L566-L568 HydrophobicContact CD1-CG 4.49Å; L566-L568 HydrophobicContact CD2-CD1 4.2Å; L566-L568 HydrophobicContact CG-CD1 3.93Å; L568-C648 WeakPolarHBondContact CA-O 3.23Å; L568-C648 HydrophobicContact CD2-CB 4.14Å; L568-W698 HydrophobicContact CD2-CH2 4.41Å; L568-A702 HydrophobicContact CD2-CB 4.3Å
569	V	98.1	Very high	83.3	Confident	0 Å²	0	29.2 Å²	29.2	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	127.4	-179.9	177.3	0	0	0	0	109.6	M553 V567 T571 C648 V649 F650 V667 L671	M553-V569 HydrophobicContact CE-CG1 3.43Å; M553-V569 VanDerWaalsContact CE-CG1 3.43Å; V567-V569 HydrophobicContact CG1-CG2 3.99Å; V569-T571 HydrophobicContact CG1-CG2 4.15Å; V569-C648 PolarHBondContact N-O 3.13Å; V569-V649 HydrophobicContact CB-CB 4.36Å; V569-V649 HydrophobicContact CB-CG1 4.02Å; V569-V649 HydrophobicContact CB-CG2 4.08Å; V569-V649 HydrophobicContact CG1-CG1 4.05Å; V569-V649 HydrophobicContact CG2-CG2 4.42Å; V569-V649 CarbonylContact O-C 3.44Å; V569-V649 WeakPolarHBondContact O-CA 3.24Å; V569-F650 PolarHBondContact O-N 3.14Å; V569-V667 HydrophobicContact CB-CG1 4.49Å; V569-V667 HydrophobicContact CG1-CG1 4.18Å; V569-V667 HydrophobicContact CG2-CG1 3.99Å; V569-L671 HydrophobicContact CG2-CD1 4.29Å
570	V	97.8	Very high	84.2	Confident	0 Å²	0	25.1 Å²	25.1	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	98.6	173.7	-176	0	0	0	0	108.1	L523 Y524 A531 A535 L538 F650 L652 W698	L523-V570 PolarHBondContact O-N 2.83Å; Y524-V570 VanDerWaalsContact CA-O 3.25Å; Y524-V570 WeakPolarHBondContact CA-O 3.38Å; Y524-V570 WeakPolarHBondContact CB-O 3.35Å; A531-V570 HydrophobicContact CB-CG1 4.38Å; A531-V570 WeakPolarHBondContact O-CG1 3.1Å; A535-V570 HydrophobicContact CB-CB 4.18Å; A535-V570 HydrophobicContact CB-CG2 4.47Å; L538-V570 HydrophobicContact CD2-CG2 3.64Å; V570-F650 WeakPolarHBondContact CA-O 3.34Å; V570-F650 HydrophobicContact CG1-CD1 4.41Å; V570-L652 HydrophobicContact CG1-CD1 3.99Å; V570-W698 HydrophobicContact CG2-CZ3 4.49Å
571	T	97.3	Very high	84.5	Confident	0 Å²	0	26.9 Å²	26.9	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	147.2	-172.2	-166.3	0	0	0	0	113.1	G525 V569 F650 G651 L652 F663 A664	G525-T571 WeakPolarHBondContact O-CA 3.15Å; G525-T571 PolarHBondContact O-OG1 3.14Å; V569-T571 HydrophobicContact CG1-CG2 4.15Å; T571-F650 PolarHBondContact N-O 3.33Å; T571-G651 CarbonylContact O-C 3.55Å; T571-G651 WeakPolarHBondContact O-CA 3.38Å; T571-L652 PolarHBondContact O-N 3.07Å; T571-F663 HydrophobicContact CG2-CD1 3.75Å; T571-F663 HydrophobicContact CG2-CE1 4.14Å; T571-F663 HydrophobicContact CG2-CG 4.43Å; T571-F663 VanDerWaalsContact OG1-CD1 3.25Å; T571-F663 WeakPolarHBondContact OG1-CD1 3.4Å; T571-F663 VanDerWaalsContact OG1-CE1 3.29Å; T571-F663 WeakPolarHBondContact OG1-CE1 3.16Å; T571-A664 HydrophobicContact CG2-CB 3.86Å
572	S	92.8	Very high	84.8	Confident	14 Å²	14	28.9 Å²	28.9	10%	0.098	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	174.6	165.1	51.5	0	0	0	0	111.5	G525 S526 P580 L652	G525-S572 PolarHBondContact O-N 3.01Å; G525-S572 PolarHBondContact O-OG 3.02Å; S526-S572 WeakPolarHBondContact CA-OG 3.25Å; S572-P580 WeakPolarHBondContact O-CD 3.3Å; S572-P580 WeakPolarHBondContact O-CG 3.31Å; S572-P580 VanDerWaalsContact OG-CG 3.25Å; S572-P580 WeakPolarHBondContact OG-CG 3.24Å; S572-L652 CarbonylContact C-O 3.48Å; S572-L652 WeakPolarHBondContact CA-O 3.39Å
573	T	87.6	Confident	85.5	Confident	22 Å²	22	25.5 Å²	25.5	14%	0.135	14%	0.139	C	C	.	.			trans	-129.7	139.2	168.1	-59	0	0	0	0	107	G577 D578 L652 C661 A662 F663	T573-G577 VanDerWaalsContact CG2-C 3.49Å; T573-D578 WeakPolarHBondContact CG2-O 3.32Å; T573-L652 PolarHBondContact N-O 2.99Å; T573-C661 WeakPolarHBondContact OG1-CA 3.41Å; T573-A662 HydrophobicContact CG2-CB 4.26Å; T573-A662 PolarHBondContact OG1-N 2.7Å; T573-F663 HydrophobicContact CG2-CB 4.4Å; T573-F663 PolarHBondContact OG1-N 2.75Å
574	F	80.7	Confident	86.2	Confident	82 Å²	82	25.1 Å²	25.1	36%	0.36	14%	0.137	S	C	.	.	B	Isolated β-bridge	trans	-131.4	-171.2	-173.8	-152.2	-115.9	0	0	0	110.9	E527 N576 G577 D578	E527-F574 HydrophobicContact CB-CD2 4.17Å; E527-F574 HydrophobicContact CB-CE2 4.23Å; E527-F574 HydrophobicContact CG-CB 4.07Å; E527-F574 HydrophobicContact CG-CD1 3.94Å; E527-F574 HydrophobicContact CG-CD2 3.74Å; E527-F574 HydrophobicContact CG-CE1 4.29Å; E527-F574 HydrophobicContact CG-CE2 4.11Å; E527-F574 HydrophobicContact CG-CG 3.66Å; E527-F574 HydrophobicContact CG-CZ 4.37Å; F574-N576 PolarHBondContact O-N 3.5Å; F574-G577 PolarHBondContact O-N 2.65Å; F574-D578 PolarHBondContact N-O 3.47Å; F574-D578 PolarHBondContact O-N 3.22Å
575	G	74.9	Confident	86.3	Confident	33 Å²	33	27 Å²	27	34%	0.34	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	53	-124.3	178.9	0	0	0	0	0	112
576	N	71.8	Confident	86.7	Confident	14 Å²	14	24.4 Å²	24.4	8%	0.075	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	-114.1	53.4	172.8	-161.3	17.1	0	0	0	112.1	F574 D578 N614 H659 R1150 E1157	F574-N576 PolarHBondContact O-N 3.5Å; N576-D578 PolarHBondContact N-OD2 3.24Å; N576-N614 PolarHBondContact O-ND2 3.14Å; N576-H659 PolarHBondContact O-CD2 3.11Å; N576-H659 PolarHBondContact OD1-CD2 2.86Å; N576-R1150 PolarHBondContact ND2-NH2 3.24Å; N576-E1157 PolarHBondContact ND2-OE1 3.33Å; N576-E1157 PolarHBondContact ND2-OE2 2.96Å
577	G	74.2	Confident	86.4	Confident	3 Å²	3	24.8 Å²	24.8	3%	0.031	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	95.3	13.9	-175.5	0	0	0	0	0	113.5	T573 F574 Y609 N614	T573-G577 VanDerWaalsContact CG2-C 3.49Å; F574-G577 PolarHBondContact O-N 2.65Å; G577-Y609 WeakPolarHBondContact O-CE1 3.24Å; G577-Y609 PolarHBondContact O-OH 3.48Å; G577-N614 VanDerWaalsContact C-ND2 3.27Å; G577-N614 PolarHBondContact O-ND2 3.25Å; G577-N614 PolarHBondContact O-OD1 3.15Å
578	D	81.1	Confident	85.5	Confident	42 Å²	42	27.2 Å²	27.2	23%	0.225	16%	0.159	C	C	.	.	B	Isolated β-bridge	trans	-84.1	160.7	-176.6	-54.8	-75	0	0	0	111.2	T573 F574 N576	T573-D578 WeakPolarHBondContact CG2-O 3.32Å; F574-D578 PolarHBondContact N-O 3.47Å; F574-D578 PolarHBondContact O-N 3.22Å; N576-D578 PolarHBondContact N-OD2 3.24Å
579	P	87.1	Confident	84.6	Confident	16 Å²	16	28.7 Å²	28.7	10%	0.104	17%	0.172	C	C	.	.	P	Polyproline II helix	trans	-58.1	155.7	165.4	27.2	-37.1	0	0	0	112.2	E584 A587 F663	P579-E584 HydrophobicContact CB-CG 4.4Å; P579-E584 HydrophobicContact CG-CB 4.48Å; P579-E584 HydrophobicContact CG-CG 3.74Å; P579-A587 HydrophobicContact CB-CB 4.26Å; P579-A587 HydrophobicContact CG-CB 4.13Å; P579-F663 HydrophobicContact CB-CD1 3.78Å; P579-F663 HydrophobicContact CB-CD2 3.93Å; P579-F663 HydrophobicContact CB-CE1 3.79Å; P579-F663 HydrophobicContact CB-CE2 3.96Å; P579-F663 HydrophobicContact CB-CG 3.85Å; P579-F663 HydrophobicContact CB-CZ 3.88Å
580	P	86.9	Confident	83.8	Confident	0 Å²	0	28.8 Å²	28.8	0%	0	17%	0.172	C	C	.	.	P	Polyproline II helix	trans	-56.7	152	159.9	-26.6	39	0	0	0	111.6	E527 S572 N582 G583 E584 F663	E527-P580 HydrophobicContact CG-CB 4.1Å; S572-P580 WeakPolarHBondContact O-CD 3.3Å; S572-P580 WeakPolarHBondContact O-CG 3.31Å; S572-P580 VanDerWaalsContact OG-CG 3.25Å; S572-P580 WeakPolarHBondContact OG-CG 3.24Å; P580-N582 VanDerWaalsContact C-N 3.25Å; P580-N582 PolarHBondContact O-N 3.03Å; P580-N582 VanDerWaalsContact O-N 3.16Å; P580-G583 WeakPolarHBondContact O-CA 3.21Å; P580-G583 PolarHBondContact O-N 3.48Å; P580-E584 PolarHBondContact O-N 2.87Å; P580-F663 VanDerWaalsContact CD-CD1 3.42Å
581	E	82.1	Confident	82.8	Confident	79 Å²	79	30.5 Å²	30.5	37%	0.369	18%	0.181	S	C	.	.	G	3₁₀ helix	trans	-44.7	-50.5	176.2	-175.7	-176.7	167.3	0	0	111.8	E527 G583 E584 R756 R994	E527-E581 WeakPolarHBondContact OE1-CB 3.42Å; E527-E581 PolarHBondContact OE1-N 3.17Å; E527-E581 VanDerWaalsContact OE1-N 3.1Å; E581-G583 PolarHBondContact O-N 3.03Å; E581-G583 VanDerWaalsContact O-N 3.09Å; E581-E584 PolarHBondContact O-N 2.89Å; E581-R756 IonicContact OE1-CZ 3.14Å; E581-R756 IonicContact OE1-NH2 2.7Å; E581-R756 PolarHBondContact OE1-NH2 3.12Å; E581-R756 IonicContact OE2-CZ 2.96Å; E581-R756 IonicContact OE2-NH1 3.55Å; E581-R756 PolarHBondContact OE2-NH1 2.93Å; E581-R756 IonicContact OE2-NH2 3.22Å; E581-R756 PolarHBondContact OE2-NH2 3.04Å; E581-R994 IonicContact OE2-NH2 2.86Å
582	N	84.6	Confident	81.7	Confident	42 Å²	42	37.3 Å²	37.3	23%	0.225	21%	0.212	C	C	.	.	G	3₁₀ helix	trans	-80.5	22.8	178.8	62.4	15.5	0	0	0	115.4	G525 S526 M553 D554 P580	G525-N582 WeakPolarHBondContact CA-OD1 3.34Å; S526-N582 PolarHBondContact N-OD1 3.06Å; S526-N582 PolarHBondContact O-ND2 2.97Å; S526-N582 PolarHBondContact O-OD1 3.42Å; M553-N582 WeakPolarHBondContact CB-O 3.46Å; D554-N582 HydrophobicContact CB-CB 4.3Å; D554-N582 PolarHBondContact N-O 3.41Å; P580-N582 VanDerWaalsContact C-N 3.25Å; P580-N582 PolarHBondContact O-N 3.03Å; P580-N582 VanDerWaalsContact O-N 3.16Å
583	G	87.9	Confident	80.5	Confident	0 Å²	0	38.3 Å²	38.3	0%	0	22%	0.216	C	C	.	.	G	3₁₀ helix	trans	-136.8	-1	173	0	0	0	0	0	114.2	P580 E581 A587	P580-G583 WeakPolarHBondContact O-CA 3.21Å; P580-G583 PolarHBondContact O-N 3.48Å; E581-G583 PolarHBondContact O-N 3.03Å; E581-G583 VanDerWaalsContact O-N 3.09Å; G583-A587 WeakPolarHBondContact O-CB 3.45Å; G583-A587 PolarHBondContact O-N 3.37Å
584	E	82.9	Confident	79.1	Confident	109 Å²	109	41.1 Å²	41.1	51%	0.509	24%	0.237	S	C	.	.	H	α-helix	trans	-62.5	-45.9	179.6	-76.9	175.1	-146.5	0	0	112.6	P579 P580 E581 A587 A588	P579-E584 HydrophobicContact CB-CG 4.4Å; P579-E584 HydrophobicContact CG-CB 4.48Å; P579-E584 HydrophobicContact CG-CG 3.74Å; P580-E584 PolarHBondContact O-N 2.87Å; E581-E584 PolarHBondContact O-N 2.89Å; E584-A587 WeakPolarHBondContact O-CB 3.43Å; E584-A587 PolarHBondContact O-N 2.9Å; E584-A588 PolarHBondContact O-N 3.41Å
585	S	80.7	Confident	77.8	Confident	56 Å²	56	37.9 Å²	37.9	39%	0.392	23%	0.227	S	C	.	.	H	α-helix	trans	-57.8	-50	177	52.7	0	0	0	0	112.4	D554 A587 A588 A589	D554-S585 WeakPolarHBondContact OD1-CB 3.19Å; D554-S585 PolarHBondContact OD1-OG 3.29Å; S585-A587 VanDerWaalsContact C-N 3.33Å; S585-A587 PolarHBondContact O-N 3.39Å; S585-A588 PolarHBondContact O-N 3.28Å; S585-A589 PolarHBondContact O-N 2.95Å; S585-A589 VanDerWaalsContact O-N 3.15Å
586	F	88.3	Confident	76.2	Confident	1 Å²	1	39.1 Å²	39.1	0%	0.004	23%	0.228	C	C	.	.	H	α-helix	trans	-61.2	-40.1	174.9	-177	-88	0	0	0	111.9	L523 M553 Y556 V558 L561 L590 F663 V667	L523-F586 HydrophobicContact CD1-CD2 4.3Å; L523-F586 HydrophobicContact CD1-CE2 3.45Å; L523-F586 VanDerWaalsContact CD1-CE2 3.45Å; L523-F586 HydrophobicContact CD1-CZ 3.74Å; M553-F586 HydrophobicContact CB-CB 3.75Å; M553-F586 HydrophobicContact CB-CD2 4.44Å; M553-F586 HydrophobicContact CB-CG 4.06Å; M553-F586 HydrophobicContact CE-CD1 4.07Å; M553-F586 HydrophobicContact CE-CE1 4.07Å; M553-F586 HydrophobicContact CG-CB 4.13Å; M553-F586 HydrophobicContact CG-CD1 4.12Å; M553-F586 HydrophobicContact CG-CD2 4.25Å; M553-F586 HydrophobicContact CG-CG 3.91Å; M553-F586 HydrophobicContact SD-CD1 4Å; M553-F586 HydrophobicContact SD-CG 4.31Å; Y556-F586 HydrophobicContact CD1-CD2 4.16Å; Y556-F586 AromaticContact CD1-CE2 3.9Å; Y556-F586 HydrophobicContact CD1-CE2 3.9Å; Y556-F586 HydrophobicContact CE1-CE2 4.22Å; V558-F586 HydrophobicContact CG2-CD2 3.56Å; V558-F586 HydrophobicContact CG2-CE2 4.01Å; V558-F586 HydrophobicContact CG2-CG 4.24Å; L561-F586 HydrophobicContact CD1-CZ 4.43Å; F586-L590 HydrophobicContact CE1-CD2 3.86Å; F586-L590 HydrophobicContact CZ-CD2 4.43Å; F586-L590 WeakPolarHBondContact O-CB 3.34Å; F586-L590 PolarHBondContact O-N 2.88Å; F586-F663 HydrophobicContact CD1-CZ 4.45Å; F586-V667 HydrophobicContact CE1-CG1 4.15Å; F586-V667 HydrophobicContact CE1-CG2 4.16Å
587	A	84.6	Confident	74.7	Confident	7 Å²	7	43.6 Å²	43.6	6%	0.058	25%	0.245	C	C	.	.	H	α-helix	trans	-63.6	-44.4	178.1	0	0	0	0	0	112.1	P579 G583 E584 S585 M591 F663	P579-A587 HydrophobicContact CB-CB 4.26Å; P579-A587 HydrophobicContact CG-CB 4.13Å; G583-A587 WeakPolarHBondContact O-CB 3.45Å; G583-A587 PolarHBondContact O-N 3.37Å; E584-A587 WeakPolarHBondContact O-CB 3.43Å; E584-A587 PolarHBondContact O-N 2.9Å; S585-A587 VanDerWaalsContact C-N 3.33Å; S585-A587 PolarHBondContact O-N 3.39Å; A587-M591 VanDerWaalsContact O-CG 3.3Å; A587-M591 WeakPolarHBondContact O-CG 3.42Å; A587-M591 PolarHBondContact O-N 2.94Å; A587-F663 HydrophobicContact CB-CD2 4.39Å; A587-F663 HydrophobicContact CB-CE2 3.55Å; A587-F663 HydrophobicContact CB-CZ 4.08Å
588	A	76.9	Confident	73.3	Confident	51 Å²	51	48.3 Å²	48.3	42%	0.421	27%	0.27	S	S	.	.	H	α-helix	trans	-61.8	-56.3	178	0	0	0	0	0	111.4	E584 S585 L590 M591 E592	E584-A588 PolarHBondContact O-N 3.41Å; S585-A588 PolarHBondContact O-N 3.28Å; A588-L590 VanDerWaalsContact C-N 3.31Å; A588-L590 PolarHBondContact O-N 3.05Å; A588-M591 WeakPolarHBondContact O-CB 3.48Å; A588-M591 PolarHBondContact O-N 3.3Å; A588-E592 PolarHBondContact O-N 2.75Å; A588-E592 VanDerWaalsContact O-N 3.11Å
589	A	78.1	Confident	71.2	Confident	32 Å²	32	51.4 Å²	51.4	26%	0.264	30%	0.295	S	S	.	.	H	α-helix	trans	-58.6	-39.8	-179.4	0	0	0	0	0	112.6	V558 S585 M591 E592 M593	V558-A589 HydrophobicContact CB-CB 4.01Å; V558-A589 HydrophobicContact CG1-CB 4.2Å; V558-A589 HydrophobicContact CG2-CB 3.79Å; S585-A589 PolarHBondContact O-N 2.95Å; S585-A589 VanDerWaalsContact O-N 3.15Å; A589-M591 VanDerWaalsContact C-N 3.26Å; A589-M591 PolarHBondContact O-N 3.04Å; A589-E592 PolarHBondContact O-N 2.83Å; A589-M593 WeakPolarHBondContact O-CG 3.34Å; A589-M593 PolarHBondContact O-N 3.2Å
590	L	82.3	Confident	68.6	Low	1 Å²	1	53 Å²	53	1%	0.005	31%	0.307	C	S	.	.	H	α-helix	trans	-66.9	-23.8	176.7	-172.5	66.8	0	0	0	113.2	L561 F586 A588 M593 V667 R670 L671 L674	L561-L590 HydrophobicContact CD1-CD1 4.05Å; F586-L590 HydrophobicContact CE1-CD2 3.86Å; F586-L590 HydrophobicContact CZ-CD2 4.43Å; F586-L590 WeakPolarHBondContact O-CB 3.34Å; F586-L590 PolarHBondContact O-N 2.88Å; A588-L590 VanDerWaalsContact C-N 3.31Å; A588-L590 PolarHBondContact O-N 3.05Å; L590-M593 HydrophobicContact CD1-SD 4.27Å; L590-V667 HydrophobicContact CD2-CB 4.22Å; L590-V667 HydrophobicContact CD2-CG1 4Å; L590-V667 HydrophobicContact CD2-CG2 4.04Å; L590-R670 HydrophobicContact CD1-CB 4.35Å; L590-R670 HydrophobicContact CD2-CB 3.85Å; L590-R670 HydrophobicContact CG-CB 3.81Å; L590-R670 HydrophobicContact CG-CG 4.5Å; L590-R670 PolarHBondContact O-NE 3.09Å; L590-R670 PolarHBondContact O-NH2 3.34Å; L590-L671 HydrophobicContact CD1-CD2 4.02Å; L590-L674 HydrophobicContact CD1-CD1 3.61Å
591	M	76.1	Confident	66	Low	36 Å²	36	59.6 Å²	59.6	18%	0.177	35%	0.349	C	S	.	.	H	α-helix	trans	-81.8	-28.5	172.4	-67.4	-61.5	169.2	0	0	112.8	A587 A588 A589 Y609 F613 A666 R670	A587-M591 VanDerWaalsContact O-CG 3.3Å; A587-M591 WeakPolarHBondContact O-CG 3.42Å; A587-M591 PolarHBondContact O-N 2.94Å; A588-M591 WeakPolarHBondContact O-CB 3.48Å; A588-M591 PolarHBondContact O-N 3.3Å; A589-M591 VanDerWaalsContact C-N 3.26Å; A589-M591 PolarHBondContact O-N 3.04Å; M591-Y609 HydrophobicContact CE-CD2 3.77Å; M591-Y609 HydrophobicContact CE-CE2 4.39Å; M591-F613 HydrophobicContact CE-CD2 3.78Å; M591-F613 HydrophobicContact CE-CE2 3.31Å; M591-F613 HydrophobicContact CE-CZ 4.2Å; M591-F613 HydrophobicContact SD-CE2 4.02Å; M591-A666 HydrophobicContact CE-CB 3.95Å; M591-R670 HydrophobicContact CE-CG 3.6Å; M591-R670 PolarHBondContact O-NH2 2.91Å; M591-R670 VanDerWaalsContact SD-CD 3.54Å; M591-R670 HydrophobicContact SD-CG 3.65Å
592	E	73.4	Confident	63.4	Low	143 Å²	143	65.8 Å²	65.8	67%	0.668	37%	0.369	S	S	*	.	H	α-helix	trans	-74.8	-29.2	177.5	-69.3	176.8	-177.1	0	0	113.4	A588 A589 S594	A588-E592 PolarHBondContact O-N 2.75Å; A588-E592 VanDerWaalsContact O-N 3.11Å; A589-E592 PolarHBondContact O-N 2.83Å; E592-S594 PolarHBondContact O-N 2.7Å
593	M	68.7	Low	61	Low	35 Å²	35	70 Å²	70	17%	0.172	40%	0.399	C	S	.	.	S	Bend	trans	-56.1	131.4	178.2	-67.8	-177.1	85.1	0	0	112.7	V558 E562 A589 L590 L642 R670 L674	V558-M593 HydrophobicContact CG1-SD 3.86Å; E562-M593 HydrophobicContact CG-CE 4.32Å; A589-M593 WeakPolarHBondContact O-CG 3.34Å; A589-M593 PolarHBondContact O-N 3.2Å; L590-M593 HydrophobicContact CD1-SD 4.27Å; M593-L642 HydrophobicContact CE-CD2 4.17Å; M593-R670 PolarHBondContact O-NH2 3Å; M593-L674 HydrophobicContact CB-CD1 3.77Å; M593-L674 HydrophobicContact CB-CD2 3.62Å; M593-L674 HydrophobicContact CB-CG 4.36Å; M593-L674 HydrophobicContact CG-CD1 4.41Å; M593-L674 WeakPolarHBondContact O-CD2 3.42Å; M593-L674 HydrophobicContact SD-CD1 3.84Å
594	S	58.6	Low	58.8	Low	81 Å²	81	74.5 Å²	74.5	57%	0.566	42%	0.42	S	S	*	.	P	Polyproline II helix	trans	-87.2	129.5	-178.4	-37.7	0	0	0	0	112.2	E592	E592-S594 PolarHBondContact O-N 2.7Å
595	G	52.6	Low	56.9	Low	15 Å²	15	78.1 Å²	78.1	16%	0.155	44%	0.437	C	S	.	.	P	Polyproline II helix	trans	-82.5	158.1	176.4	0	0	0	0	0	113.6	Y597 N598	G595-Y597 PolarHBondContact O-N 3.46Å; G595-Y597 VanDerWaalsContact O-N 3.13Å; G595-N598 PolarHBondContact O-N 3.13Å
596	P	40.5	Very low	55.6	Low	58 Å²	58	82.4 Å²	82.4	38%	0.377	45%	0.45	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68	-12.1	-175.4	30.1	-38.5	0	0	0	114.8	G640	P596-G640 VanDerWaalsContact CG-CA 3.49Å
597	Y	41.9	Very low	54.2	Low	108 Å²	108	86.2 Å²	86.2	42%	0.424	47%	0.467	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.7	-10	-174.7	-61.5	-64.1	0	0	0	113.8	G595 S599 W626 S638	G595-Y597 PolarHBondContact O-N 3.46Å; G595-Y597 VanDerWaalsContact O-N 3.13Å; Y597-S599 VanDerWaalsContact C-N 3.31Å; Y597-S599 PolarHBondContact O-N 2.8Å; Y597-W626 AromaticContact CE2-NE1 4Å; Y597-S638 PolarHBondContact OH-OG 3.04Å
598	N	44	Very low	53.2	Low	102 Å²	102	87.4 Å²	87.4	55%	0.545	48%	0.475	S	S	.	.			trans	-79	79.4	-179.6	-73.3	42.8	0	0	0	110.6	G595	G595-N598 PolarHBondContact O-N 3.13Å
599	S	37.3	Very low	52.7	Low	107 Å²	107	86.5 Å²	86.5	75%	0.748	46%	0.461	S	S	*	.			trans	-121.6	23.1	175.1	50.6	0	0	0	0	112.4	Y597	Y597-S599 VanDerWaalsContact C-N 3.31Å; Y597-S599 PolarHBondContact O-N 2.8Å
600	S	32.7	Very low	52.2	Low	51 Å²	51	86.9 Å²	86.9	36%	0.357	46%	0.456	S	S	.	.			trans	-71.9	125.9	172.1	28	0	0	0	0	110.7	R602 E604	S600-R602 PolarHBondContact O-N 3.44Å; S600-E604 VanDerWaalsContact CB-OE1 3.29Å; S600-E604 WeakPolarHBondContact CB-OE1 3.17Å; S600-E604 PolarHBondContact OG-OE1 2.72Å
601	P	30.9	Very low	51.5	Low	138 Å²	138	88.3 Å²	88.3	90%	0.896	46%	0.464	S	S	*	.	S	Bend	trans	-81.2	26.6	-177.9	34.5	-37.5	0	0	0	113.3
602	R	29.3	Very low	51	Low	208 Å²	208	88.8 Å²	88.8	79%	0.785	46%	0.463	S	S	*	.	S	Bend	trans	-125.6	140.6	170	-71.8	-176.2	174.5	-176.3	-1.7	107.3	S600 E604	S600-R602 PolarHBondContact O-N 3.44Å; R602-E604 PolarHBondContact O-N 2.91Å
603	P	32.7	Very low	50.8	Low	132 Å²	132	83 Å²	83	86%	0.857	44%	0.436	S	S	*	.			trans	-64.1	104.5	171.6	27.4	-33	0	0	0	108.9	Q605	P603-Q605 PolarHBondContact O-N 3.2Å
604	E	41.6	Very low	50.6	Low	94 Å²	94	81.5 Å²	81.5	44%	0.439	43%	0.429	S	S	.	.			trans	-65.4	128	169.9	-75.6	176.2	-162.5	0	0	108.6	S600 R602 H606	S600-E604 VanDerWaalsContact CB-OE1 3.29Å; S600-E604 WeakPolarHBondContact CB-OE1 3.17Å; S600-E604 PolarHBondContact OG-OE1 2.72Å; R602-E604 PolarHBondContact O-N 2.91Å; E604-H606 PolarHBondContact O-N 2.8Å; E604-H606 VanDerWaalsContact O-N 3.09Å
605	Q	43	Very low	50.7	Low	185 Å²	185	78.7 Å²	78.7	86%	0.864	41%	0.409	S	S	*	.			trans	-61.8	115.1	171.2	-72.2	175.2	-30.3	0	0	107.9	P603 K607	P603-Q605 PolarHBondContact O-N 3.2Å; Q605-K607 PolarHBondContact O-N 3.13Å
606	H	54.6	Low	50.7	Low	145 Å²	145	80.2 Å²	80.2	67%	0.671	41%	0.413	S	S	*	.			trans	-60	97.2	173.4	-92.8	-126.2	0	0	0	109	E604 S608	E604-H606 PolarHBondContact O-N 2.8Å; E604-H606 VanDerWaalsContact O-N 3.09Å; H606-S608 PolarHBondContact O-N 3.36Å
607	K	58.4	Low	51	Low	82 Å²	82	78.7 Å²	78.7	36%	0.357	40%	0.404	S	S	.	.			trans	-58.3	127.9	169.7	-70.8	-176	174.3	-170.9	0	108.2	Q605 I611 R612 D620	Q605-K607 PolarHBondContact O-N 3.13Å; K607-I611 HydrophobicContact CB-CB 4.45Å; K607-I611 HydrophobicContact CB-CG2 4.03Å; K607-I611 HydrophobicContact CD-CG2 3.99Å; K607-I611 HydrophobicContact CG-CG2 4.04Å; K607-R612 HydrophobicContact CB-CG 3.46Å; K607-R612 VanDerWaalsContact CB-CG 3.46Å; K607-R612 HydrophobicContact CD-CG 4.23Å; K607-D620 IonicContact NZ-OD1 2.83Å; K607-D620 PolarHBondContact NZ-OD1 2.85Å; K607-D620 VanDerWaalsContact NZ-OD1 3.09Å
608	S	63.2	Low	51	Low	31 Å²	31	80 Å²	80	22%	0.217	43%	0.427	C	S	.	.			trans	-62.9	170.3	-177.5	71.8	0	0	0	0	113.2	H606 K610 I611 R612 D1151	H606-S608 PolarHBondContact O-N 3.36Å; S608-K610 VanDerWaalsContact C-N 3.28Å; S608-K610 PolarHBondContact O-N 2.72Å; S608-K610 PolarHBondContact OG-N 3.35Å; S608-I611 PolarHBondContact O-N 3.42Å; S608-I611 WeakPolarHBondContact OG-CB 3.43Å; S608-I611 WeakPolarHBondContact OG-CG1 3.18Å; S608-I611 PolarHBondContact OG-N 2.62Å; S608-R612 WeakPolarHBondContact O-CB 3.44Å; S608-R612 WeakPolarHBondContact O-CG 3.47Å; S608-R612 PolarHBondContact O-N 3.3Å; S608-D1151 VanDerWaalsContact CB-CG 3.49Å; S608-D1151 WeakPolarHBondContact CB-OD1 3.5Å; S608-D1151 WeakPolarHBondContact CB-OD2 3.36Å; S608-D1151 PolarHBondContact OG-OD1 3.15Å; S608-D1151 PolarHBondContact OG-OD2 2.78Å
609	Y	67.8	Low	51	Low	33 Å²	33	79.1 Å²	79.1	13%	0.129	43%	0.429	C	S	.	.	H	α-helix	trans	-49.3	-48.5	165.4	177.9	-87.7	0	0	0	112.3	G577 M591 R612 F613 F663 A666	G577-Y609 WeakPolarHBondContact O-CE1 3.24Å; G577-Y609 PolarHBondContact O-OH 3.48Å; M591-Y609 HydrophobicContact CE-CD2 3.77Å; M591-Y609 HydrophobicContact CE-CE2 4.39Å; Y609-R612 PolarHBondContact O-N 2.83Å; Y609-F613 HydrophobicContact CD2-CD2 4.43Å; Y609-F613 PolarHBondContact O-N 3.46Å; Y609-F663 HydrophobicContact CE2-CD2 4.04Å; Y609-F663 WeakPolarHBondContact OH-CA 3.44Å; Y609-F663 WeakPolarHBondContact OH-CB 3.39Å; Y609-F663 PolarHBondContact OH-N 3.05Å; Y609-A666 HydrophobicContact CD2-CB 4.34Å; Y609-A666 HydrophobicContact CE2-CB 3.65Å
610	K	67.2	Low	51.6	Low	39 Å²	39	75.3 Å²	75.3	17%	0.17	40%	0.401	C	S	.	.	H	α-helix	trans	-70.8	-43.1	-174.3	-59.4	-172.8	-177.9	179.6	0	111.6	S608 R612 N614 S615 R1150 D1151	S608-K610 VanDerWaalsContact C-N 3.28Å; S608-K610 PolarHBondContact O-N 2.72Å; S608-K610 PolarHBondContact OG-N 3.35Å; K610-R612 PolarHBondContact O-N 3.3Å; K610-N614 CarbonylContact O-C 3.34Å; K610-N614 WeakPolarHBondContact O-CA 3.31Å; K610-N614 WeakPolarHBondContact O-CB 3.41Å; K610-N614 PolarHBondContact O-N 3.38Å; K610-S615 PolarHBondContact O-N 3.38Å; K610-R1150 HydrophobicContact CD-CB 3.89Å; K610-R1150 PolarHBondContact NZ-O 3.31Å; K610-D1151 WeakPolarHBondContact CB-OD1 3.45Å
611	I	67.2	Low	52.4	Low	31 Å²	31	76.8 Å²	76.8	16%	0.159	41%	0.409	C	S	.	.	H	α-helix	trans	-63.1	-41	176.2	-68.8	167.4	0	0	0	111	K607 S608 S615 V1148 D1151	K607-I611 HydrophobicContact CB-CB 4.45Å; K607-I611 HydrophobicContact CB-CG2 4.03Å; K607-I611 HydrophobicContact CD-CG2 3.99Å; K607-I611 HydrophobicContact CG-CG2 4.04Å; S608-I611 PolarHBondContact O-N 3.42Å; S608-I611 WeakPolarHBondContact OG-CB 3.43Å; S608-I611 WeakPolarHBondContact OG-CG1 3.18Å; S608-I611 PolarHBondContact OG-N 2.62Å; I611-S615 VanDerWaalsContact O-CB 3.31Å; I611-S615 WeakPolarHBondContact O-CB 3.47Å; I611-V1148 HydrophobicContact CD1-CG2 3.95Å; I611-D1151 WeakPolarHBondContact CD1-OD2 3.49Å; I611-D1151 VanDerWaalsContact CG1-OD2 3.31Å; I611-D1151 WeakPolarHBondContact CG1-OD2 3.37Å
612	R	65.8	Low	53.3	Low	46 Å²	46	74.6 Å²	74.6	17%	0.174	39%	0.389	C	S	.	.	H	α-helix	trans	-78.4	-32.5	-176.9	-65.8	-160.8	76.1	-150.2	-5.1	114.8	K607 S608 Y609 K610 D620 E673	K607-R612 HydrophobicContact CB-CG 3.46Å; K607-R612 VanDerWaalsContact CB-CG 3.46Å; K607-R612 HydrophobicContact CD-CG 4.23Å; S608-R612 WeakPolarHBondContact O-CB 3.44Å; S608-R612 WeakPolarHBondContact O-CG 3.47Å; S608-R612 PolarHBondContact O-N 3.3Å; Y609-R612 PolarHBondContact O-N 2.83Å; K610-R612 PolarHBondContact O-N 3.3Å; R612-D620 IonicContact CZ-OD2 3.54Å; R612-D620 IonicContact NE-OD2 3.6Å; R612-D620 PolarHBondContact NE-OD2 3.03Å; R612-D620 IonicContact NH2-OD2 3.92Å; R612-D620 PolarHBondContact NH2-OD2 3.03Å; R612-E673 IonicContact CZ-OE1 3.67Å; R612-E673 VanDerWaalsContact CZ-OE1 3.31Å; R612-E673 IonicContact CZ-OE2 2.84Å; R612-E673 IonicContact NH1-OE1 3.57Å; R612-E673 PolarHBondContact NH1-OE1 3.33Å; R612-E673 IonicContact NH1-OE2 3.93Å; R612-E673 PolarHBondContact NH1-OE2 2.89Å; R612-E673 IonicContact NH2-OE1 3.97Å; R612-E673 PolarHBondContact NH2-OE1 2.85Å; R612-E673 IonicContact NH2-OE2 2.67Å
613	F	68.4	Low	54.1	Low	22 Å²	22	66 Å²	66	10%	0.096	36%	0.36	C	S	.	.	H	α-helix	trans	-123.4	-16.3	-169.2	-58	-73.2	0	0	0	115.1	M591 Y609 R665 A666 T669 R670	M591-F613 HydrophobicContact CE-CD2 3.78Å; M591-F613 HydrophobicContact CE-CE2 3.31Å; M591-F613 HydrophobicContact CE-CZ 4.2Å; M591-F613 HydrophobicContact SD-CE2 4.02Å; Y609-F613 HydrophobicContact CD2-CD2 4.43Å; Y609-F613 PolarHBondContact O-N 3.46Å; F613-R665 PolarHBondContact O-NH2 3.42Å; F613-A666 HydrophobicContact CB-CB 4.23Å; F613-A666 HydrophobicContact CD1-CB 3.91Å; F613-A666 HydrophobicContact CD2-CB 3.69Å; F613-A666 HydrophobicContact CE1-CB 4.23Å; F613-A666 HydrophobicContact CE2-CB 4.04Å; F613-A666 HydrophobicContact CG-CB 3.63Å; F613-A666 HydrophobicContact CZ-CB 4.3Å; F613-T669 HydrophobicContact CE1-CG2 4.16Å; F613-T669 HydrophobicContact CZ-CG2 4.42Å; F613-R670 HydrophobicContact CZ-CG 4.42Å
614	N	65.8	Low	54.7	Low	4 Å²	4	63.1 Å²	63.1	2%	0.021	34%	0.343	C	S	.	.	S	Bend	trans	-123.1	15.1	178.7	-59.7	-11.1	0	0	0	113.5	N576 G577 K610 H659 A662 R1150	N576-N614 PolarHBondContact O-ND2 3.14Å; G577-N614 VanDerWaalsContact C-ND2 3.27Å; G577-N614 PolarHBondContact O-ND2 3.25Å; G577-N614 PolarHBondContact O-OD1 3.15Å; K610-N614 CarbonylContact O-C 3.34Å; K610-N614 WeakPolarHBondContact O-CA 3.31Å; K610-N614 WeakPolarHBondContact O-CB 3.41Å; K610-N614 PolarHBondContact O-N 3.38Å; N614-H659 PolarHBondContact O-CE1 2.87Å; N614-A662 WeakPolarHBondContact OD1-CB 3.19Å; N614-R1150 PolarHBondContact O-NH1 2.95Å
615	S	59.7	Low	55.1	Low	22 Å²	22	60.8 Å²	60.8	15%	0.154	34%	0.337	C	S	.	.			trans	-69.5	160.4	167.6	-167.5	0	0	0	0	111	K610 I611 S617 D1144	K610-S615 PolarHBondContact O-N 3.38Å; I611-S615 VanDerWaalsContact O-CB 3.31Å; I611-S615 WeakPolarHBondContact O-CB 3.47Å; S615-S617 PolarHBondContact OG-N 2.94Å; S615-S617 PolarHBondContact OG-OG 3.15Å; S615-S617 VanDerWaalsContact OG-OG 3.06Å; S615-D1144 PolarHBondContact OG-OD1 2.63Å
616	I	52.9	Low	55.3	Low	46 Å²	46	54 Å²	54	24%	0.236	30%	0.303	C	S	.	.	S	Bend	trans	-85.4	-29.1	175.7	-52.7	174	0	0	0	110	C618 L1124	I616-C618 PolarHBondContact O-N 3.38Å; I616-C618 PolarHBondContact O-SG 3.46Å; I616-L1124 HydrophobicContact CD1-CD1 4.28Å; I616-L1124 HydrophobicContact CD1-CD2 3.94Å; I616-L1124 HydrophobicContact CD1-CG 3.92Å; I616-L1124 HydrophobicContact CG1-CD2 4.49Å
617	S	46.3	Very low	54.7	Low	27 Å²	27	53.9 Å²	53.9	19%	0.189	30%	0.297	C	S	.	.	S	Bend	trans	-67.5	110.2	176.2	59.1	0	0	0	0	110.3	S615 S619 D1144	S615-S617 PolarHBondContact OG-N 2.94Å; S615-S617 PolarHBondContact OG-OG 3.15Å; S615-S617 VanDerWaalsContact OG-OG 3.06Å; S617-S619 PolarHBondContact O-N 3.19Å; S617-D1144 PolarHBondContact OG-OD1 3.14Å
618	C	43.1	Very low	54.3	Low	134 Å²	134	57.7 Å²	57.7	91%	0.905	31%	0.309	S	S	*	.	S	Bend	trans	-77.5	24.4	-166.1	-79.4	0	0	0	0	115.9	I616	I616-C618 PolarHBondContact O-N 3.38Å; I616-C618 PolarHBondContact O-SG 3.46Å
619	S	42.5	Very low	53.6	Low	85 Å²	85	62.9 Å²	62.9	59%	0.594	33%	0.328	S	S	*	.			trans	-157	107.9	176.8	56.8	0	0	0	0	113.6	S617 P621	S617-S619 PolarHBondContact O-N 3.19Å; S619-P621 WeakPolarHBondContact O-CD 3.19Å
620	D	51.1	Low	52.4	Low	27 Å²	27	64.7 Å²	64.7	14%	0.144	33%	0.334	C	S	.	.			trans	-72.1	112.7	161	-173.4	13.7	0	0	0	108.7	K607 R612 L622 V623 S624	K607-D620 IonicContact NZ-OD1 2.83Å; K607-D620 PolarHBondContact NZ-OD1 2.85Å; K607-D620 VanDerWaalsContact NZ-OD1 3.09Å; R612-D620 IonicContact CZ-OD2 3.54Å; R612-D620 IonicContact NE-OD2 3.6Å; R612-D620 PolarHBondContact NE-OD2 3.03Å; R612-D620 IonicContact NH2-OD2 3.92Å; R612-D620 PolarHBondContact NH2-OD2 3.03Å; D620-L622 PolarHBondContact O-N 2.87Å; D620-L622 VanDerWaalsContact O-N 3.12Å; D620-V623 HydrophobicContact CB-CB 4.31Å; D620-V623 HydrophobicContact CB-CG2 3.97Å; D620-V623 PolarHBondContact O-N 3.03Å; D620-S624 PolarHBondContact O-N 2.87Å
621	P	47.9	Very low	51.2	Low	81 Å²	81	72.1 Å²	72.1	53%	0.526	37%	0.366	S	S	.	.	H	α-helix	trans	-64.2	-21.5	-175.7	-21.4	35	0	0	0	112.8	S619 S624 S625	S619-P621 WeakPolarHBondContact O-CD 3.19Å; P621-S624 PolarHBondContact O-OG 2.84Å; P621-S624 VanDerWaalsContact O-OG 3.13Å; P621-S625 WeakPolarHBondContact O-CB 3.37Å; P621-S625 PolarHBondContact O-N 2.9Å
622	L	51.6	Low	50	Low	92 Å²	92	77 Å²	77	48%	0.482	39%	0.389	S	S	.	.	H	α-helix	trans	-66.3	-42.5	173.6	-61	173.1	0	0	0	111.1	D620 W626	D620-L622 PolarHBondContact O-N 2.87Å; D620-L622 VanDerWaalsContact O-N 3.12Å; L622-W626 WeakPolarHBondContact O-CB 3.15Å; L622-W626 PolarHBondContact O-N 3.17Å
623	V	45.5	Very low	48.6	Very low	28 Å²	28	76.4 Å²	76.4	17%	0.17	39%	0.392	C	S	.	.	H	α-helix	trans	-70.1	-39.1	-179.6	176.6	0	0	0	0	111.4	D620 R627	D620-V623 HydrophobicContact CB-CB 4.31Å; D620-V623 HydrophobicContact CB-CG2 3.97Å; D620-V623 PolarHBondContact O-N 3.03Å; V623-R627 HydrophobicContact CG1-CG 4.46Å; V623-R627 VanDerWaalsContact O-CB 3.31Å; V623-R627 WeakPolarHBondContact O-CB 3.43Å; V623-R627 VanDerWaalsContact O-CG 3.27Å; V623-R627 WeakPolarHBondContact O-CG 3.42Å; V623-R627 PolarHBondContact O-N 2.96Å
624	S	45.6	Very low	47	Very low	71 Å²	71	78.8 Å²	78.8	50%	0.497	41%	0.411	S	S	.	.	H	α-helix	trans	-69.4	-42.2	175.8	62.2	0	0	0	0	112	D620 P621 R627 R628	D620-S624 PolarHBondContact O-N 2.87Å; P621-S624 PolarHBondContact O-OG 2.84Å; P621-S624 VanDerWaalsContact O-OG 3.13Å; S624-R627 PolarHBondContact O-N 3.33Å; S624-R628 PolarHBondContact O-N 3.29Å
625	S	49.3	Very low	45.6	Very low	45 Å²	45	86.3 Å²	86.3	32%	0.315	45%	0.451	S	S	.	.	H	α-helix	trans	-60.3	-46.5	173.6	-176.8	0	0	0	0	112.3	P621 R628 K629	P621-S625 WeakPolarHBondContact O-CB 3.37Å; P621-S625 PolarHBondContact O-N 2.9Å; S625-R628 PolarHBondContact O-N 3.5Å; S625-K629 WeakPolarHBondContact O-CG 3.19Å; S625-K629 PolarHBondContact O-N 3Å
626	W	47.7	Very low	44.5	Very low	42 Å²	42	88 Å²	88	16%	0.159	46%	0.46	C	S	.	.	H	α-helix	trans	-64.9	-44.6	176.4	169.4	89.5	0	0	0	112.4	Y597 L622 R628 K629 R630 E672	Y597-W626 AromaticContact CE2-NE1 4Å; L622-W626 WeakPolarHBondContact O-CB 3.15Å; L622-W626 PolarHBondContact O-N 3.17Å; W626-R628 VanDerWaalsContact C-N 3.26Å; W626-R628 PolarHBondContact O-N 2.84Å; W626-K629 PolarHBondContact O-N 2.96Å; W626-R630 WeakPolarHBondContact O-CB 3.47Å; W626-R630 PolarHBondContact O-N 3.19Å; W626-E672 HydrophobicContact CH2-CG 3.66Å; W626-E672 HydrophobicContact CZ2-CG 3.95Å
627	R	42.8	Very low	43.8	Very low	143 Å²	143	88.2 Å²	88.2	54%	0.54	46%	0.462	S	S	.	.	H	α-helix	trans	-58.8	-37.3	175.5	-80.4	-178.2	-178.6	-145.5	-5	112.1	V623 S624 K631	V623-R627 HydrophobicContact CG1-CG 4.46Å; V623-R627 VanDerWaalsContact O-CB 3.31Å; V623-R627 WeakPolarHBondContact O-CB 3.43Å; V623-R627 VanDerWaalsContact O-CG 3.27Å; V623-R627 WeakPolarHBondContact O-CG 3.42Å; V623-R627 PolarHBondContact O-N 2.96Å; S624-R627 PolarHBondContact O-N 3.33Å; R627-K631 PolarHBondContact O-N 3Å
628	R	49.3	Very low	43.5	Very low	163 Å²	163	88 Å²	88	62%	0.615	46%	0.461	S	S	*	.	H	α-helix	trans	-67.5	-54.9	175.2	-174.6	172	67.1	136.8	0.2	111.6	S624 S625 W626 R630 K631 E632	S624-R628 PolarHBondContact O-N 3.29Å; S625-R628 PolarHBondContact O-N 3.5Å; W626-R628 VanDerWaalsContact C-N 3.26Å; W626-R628 PolarHBondContact O-N 2.84Å; R628-R630 PolarHBondContact O-N 2.61Å; R628-K631 WeakPolarHBondContact O-CB 3.31Å; R628-K631 PolarHBondContact O-N 2.95Å; R628-E632 VanDerWaalsContact CG-OE1 3.23Å; R628-E632 WeakPolarHBondContact CG-OE1 3.32Å; R628-E632 PolarHBondContact O-N 2.88Å
629	K	47.3	Very low	43.5	Very low	140 Å²	140	85.4 Å²	85.4	61%	0.609	45%	0.449	S	S	*	.	H	α-helix	trans	-52.8	-39.6	177.8	-73.5	179.6	179.3	-178.2	0	112.7	S625 W626 E632 S633	S625-K629 WeakPolarHBondContact O-CG 3.19Å; S625-K629 PolarHBondContact O-N 3Å; W626-K629 PolarHBondContact O-N 2.96Å; K629-E632 PolarHBondContact O-N 3.02Å; K629-S633 PolarHBondContact O-N 3.29Å
630	R	43.3	Very low	43.8	Very low	71 Å²	71	82.1 Å²	82.1	27%	0.268	43%	0.428	S	S	.	.	H	α-helix	trans	-74.2	-27.2	179.2	-165.4	173.3	-179.4	-147.7	4.6	113.6	W626 R628 E632 S633 E672	W626-R630 WeakPolarHBondContact O-CB 3.47Å; W626-R630 PolarHBondContact O-N 3.19Å; R628-R630 PolarHBondContact O-N 2.61Å; R630-E632 VanDerWaalsContact C-N 3.25Å; R630-S633 WeakPolarHBondContact CA-OG 3.33Å; R630-S633 PolarHBondContact O-N 3.27Å; R630-S633 PolarHBondContact O-OG 2.8Å; R630-E672 IonicContact CZ-OE1 2.72Å; R630-E672 IonicContact NH1-OE1 3.87Å; R630-E672 PolarHBondContact NH1-OE1 3.24Å
631	K	42.8	Very low	44.1	Very low	194 Å²	194	82.7 Å²	82.7	84%	0.843	44%	0.437	S	S	*	.	H	α-helix	trans	-73	-21.7	173.8	-139.8	-178.5	-174.5	-171.9	0	112.5	R627 R628	R627-K631 PolarHBondContact O-N 3Å; R628-K631 WeakPolarHBondContact O-CB 3.31Å; R628-K631 PolarHBondContact O-N 2.95Å
632	E	41.2	Very low	45	Very low	135 Å²	135	78.9 Å²	78.9	63%	0.631	41%	0.412	S	S	*	.	H	α-helix	trans	-89.9	-16.7	176.3	-67	157.2	179.3	0	0	112.1	R628 K629 R630	R628-E632 VanDerWaalsContact CG-OE1 3.23Å; R628-E632 WeakPolarHBondContact CG-OE1 3.32Å; R628-E632 PolarHBondContact O-N 2.88Å; K629-E632 PolarHBondContact O-N 3.02Å; R630-E632 VanDerWaalsContact C-N 3.25Å
633	S	35.8	Very low	45.4	Very low	33 Å²	33	75.7 Å²	75.7	23%	0.231	40%	0.402	C	S	.	.	S	Bend	trans	-92.8	140.2	177.2	66.9	0	0	0	0	113.3	K629 R630	K629-S633 PolarHBondContact O-N 3.29Å; R630-S633 WeakPolarHBondContact CA-OG 3.33Å; R630-S633 PolarHBondContact O-N 3.27Å; R630-S633 PolarHBondContact O-OG 2.8Å
634	S	34.9	Very low	46.4	Very low	71 Å²	71	77.3 Å²	77.3	50%	0.497	41%	0.412	S	S	.	.			trans	-63.7	153.8	171.8	171.2	0	0	0	0	112.1	T636 D637	S634-T636 WeakPolarHBondContact CB-OG1 3.49Å; S634-T636 PolarHBondContact O-N 2.95Å; S634-T636 PolarHBondContact OG-N 3.36Å; S634-T636 PolarHBondContact OG-OG1 2.87Å; S634-D637 WeakPolarHBondContact O-CB 3.12Å; S634-D637 PolarHBondContact O-N 2.92Å
635	N	36	Very low	48.1	Very low	162 Å²	162	74 Å²	74	87%	0.866	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.8	-6.4	173.3	-75.8	-17.2	0	0	0	114.7	K192	K192-N635 PolarHBondContact NZ-O 2.96Å
636	T	37.5	Very low	49.9	Very low	57 Å²	57	74.7 Å²	74.7	35%	0.35	38%	0.384	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.8	-21.5	173.6	48.2	0	0	0	0	114.1	Q189 S634	Q189-T636 PolarHBondContact NE2-O 2.8Å; S634-T636 WeakPolarHBondContact CB-OG1 3.49Å; S634-T636 PolarHBondContact O-N 2.95Å; S634-T636 PolarHBondContact OG-N 3.36Å; S634-T636 PolarHBondContact OG-OG1 2.87Å
637	D	39	Very low	52.2	Low	51 Å²	51	72.7 Å²	72.7	27%	0.273	38%	0.376	S	S	.	.			trans	-93.7	-9.4	-154.2	-84.9	-18.1	0	0	0	118.2	K429 S634	K429-D637 IonicContact NZ-OD1 2.7Å; K429-D637 PolarHBondContact NZ-OD1 2.94Å; K429-D637 IonicContact NZ-OD2 2.74Å; K429-D637 PolarHBondContact NZ-OD2 3.31Å; S634-D637 WeakPolarHBondContact O-CB 3.12Å; S634-D637 PolarHBondContact O-N 2.92Å
638	S	38.4	Very low	54.8	Low	23 Å²	23	65.9 Å²	65.9	16%	0.161	35%	0.351	C	S	.	.			trans	-108.4	91.9	-170.4	-60.5	0	0	0	0	113.4	Y597	Y597-S638 PolarHBondContact OH-OG 3.04Å
639	A	44.7	Very low	57.1	Low	79 Å²	79	58.1 Å²	58.1	65%	0.653	32%	0.321	S	S	*	.			trans	-109.5	86.4	168.6	0	0	0	0	0	110.1
640	G	48.5	Very low	59.5	Low	16 Å²	16	51.4 Å²	51.4	17%	0.165	29%	0.292	C	S	.	.			trans	-87.3	-177.5	169.5	0	0	0	0	0	113	P596 L642 G643 L674	P596-G640 VanDerWaalsContact CG-CA 3.49Å; G640-L642 PolarHBondContact O-N 2.95Å; G640-G643 PolarHBondContact O-N 3.2Å; G640-L674 CarbonylContact C-O 3.56Å; G640-L674 WeakPolarHBondContact CA-O 3.19Å
641	A	56.3	Low	62	Low	40 Å²	40	48 Å²	48	33%	0.331	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.8	-34.6	173.7	0	0	0	0	0	111.9	L674	A641-L674 PolarHBondContact N-O 3.29Å; A641-L674 VanDerWaalsContact N-O 3.13Å
642	L	68.1	Low	64.4	Low	0 Å²	0	39.1 Å²	39.1	0%	0	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.5	24	177.2	-54.2	-174	0	0	0	113	L561 E562 M593 G640 T644 L645 L671 L674 G676	L561-L642 VanDerWaalsContact C-CD2 3.48Å; L561-L642 HydrophobicContact CB-CD1 4.36Å; L561-L642 HydrophobicContact CB-CD2 3.54Å; L561-L642 HydrophobicContact CD1-CD1 4.35Å; E562-L642 HydrophobicContact CG-CD2 4.01Å; M593-L642 HydrophobicContact CE-CD2 4.17Å; G640-L642 PolarHBondContact O-N 2.95Å; L642-T644 PolarHBondContact O-N 2.98Å; L642-L645 HydrophobicContact CB-CB 4.03Å; L642-L645 HydrophobicContact CB-CD2 4.21Å; L642-L645 HydrophobicContact CD1-CD2 3.89Å; L642-L645 HydrophobicContact CG-CD2 4.45Å; L642-L645 VanDerWaalsContact O-CB 3.32Å; L642-L645 WeakPolarHBondContact O-CB 3.5Å; L642-L645 PolarHBondContact O-N 2.79Å; L642-L671 HydrophobicContact CD1-CD2 3.77Å; L642-L674 HydrophobicContact CB-CB 4.36Å; L642-L674 HydrophobicContact CD1-CB 3.67Å; L642-L674 HydrophobicContact CD1-CD1 3.95Å; L642-L674 HydrophobicContact CD1-CG 4.48Å; L642-L674 HydrophobicContact CG-CB 3.82Å; L642-L674 PolarHBondContact N-O 3.25Å; L642-G676 WeakPolarHBondContact O-CA 3.15Å
643	G	60.3	Low	66.6	Low	26 Å²	26	33.2 Å²	33.2	27%	0.268	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63	-7.8	-173.5	0	0	0	0	0	116.7	G640	G640-G643 PolarHBondContact O-N 3.2Å
644	T	65.6	Low	68.8	Low	61 Å²	61	32.1 Å²	32.1	37%	0.374	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.6	-15.4	170.7	37.8	0	0	0	0	113.8	L642	L642-T644 PolarHBondContact O-N 2.98Å
645	L	80.4	Confident	70.9	Confident	1 Å²	1	33 Å²	33	1%	0.005	20%	0.201	C	C	.	.			trans	-75.2	128.5	-173.2	177.1	60.9	0	0	0	111.5	L561 E564 V567 L642 L671 E677	L561-L645 HydrophobicContact CD2-CD2 4.43Å; E564-L645 HydrophobicContact CB-CD1 3.83Å; V567-L645 HydrophobicContact CB-CD1 3.93Å; V567-L645 HydrophobicContact CG2-CD1 3.61Å; L642-L645 HydrophobicContact CB-CB 4.03Å; L642-L645 HydrophobicContact CB-CD2 4.21Å; L642-L645 HydrophobicContact CD1-CD2 3.89Å; L642-L645 HydrophobicContact CG-CD2 4.45Å; L642-L645 VanDerWaalsContact O-CB 3.32Å; L642-L645 WeakPolarHBondContact O-CB 3.5Å; L642-L645 PolarHBondContact O-N 2.79Å; L645-L671 HydrophobicContact CD2-CD2 4.04Å; L645-E677 PolarHBondContact O-N 3Å
646	R	88.4	Confident	72.4	Confident	60 Å²	60	25.9 Å²	25.9	23%	0.226	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	138.8	163	-56.1	-46.8	-168.8	112.5	-25	110.1	T565 L566 V567 E677 L679 T709 F710	T565-R646 WeakPolarHBondContact O-CB 3.41Å; T565-R646 PolarHBondContact O-N 3.3Å; T565-R646 VanDerWaalsContact O-N 3.09Å; L566-R646 CarbonylContact C-O 3.56Å; L566-R646 VanDerWaalsContact CA-O 3.31Å; L566-R646 WeakPolarHBondContact CA-O 3.35Å; L566-R646 HydrophobicContact CD1-CB 4.19Å; V567-R646 PolarHBondContact N-O 3.4Å; R646-E677 WeakPolarHBondContact CA-O 3.49Å; R646-E677 IonicContact CZ-OE1 2.66Å; R646-E677 IonicContact CZ-OE2 2.68Å; R646-E677 VanDerWaalsContact CZ-OE2 3.24Å; R646-E677 IonicContact NE-OE2 3.45Å; R646-E677 VanDerWaalsContact NH1-CD 3.25Å; R646-E677 IonicContact NH1-OE1 2.88Å; R646-E677 PolarHBondContact NH1-OE1 3.42Å; R646-E677 IonicContact NH1-OE2 2.85Å; R646-E677 IonicContact NH2-OE1 2.68Å; R646-E677 PolarHBondContact NH2-OE1 2.83Å; R646-E677 IonicContact NH2-OE2 3.19Å; R646-E677 PolarHBondContact NH2-OE2 2.94Å; R646-L679 HydrophobicContact CB-CD1 3.95Å; R646-L679 HydrophobicContact CB-CD2 3.88Å; R646-L679 HydrophobicContact CB-CG 3.94Å; R646-L679 HydrophobicContact CG-CD2 4.06Å; R646-L679 VanDerWaalsContact NH1-CD2 3.33Å; R646-T709 HydrophobicContact CG-CG2 4.35Å; R646-F710 HydrophobicContact CB-CE2 4.17Å; R646-F710 HydrophobicContact CB-CZ 3.97Å; R646-F710 HydrophobicContact CG-CE2 4.15Å; R646-F710 HydrophobicContact CG-CZ 3.65Å
647	F	95.6	Very high	74.2	Confident	0 Å²	0	26.5 Å²	26.5	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	159.2	179.5	78.8	-89.4	0	0	0	116.5	V567 V649 D668 L671 E672 E677 R678 L679	V567-F647 WeakPolarHBondContact O-CA 3.49Å; V567-F647 WeakPolarHBondContact O-CB 3.18Å; F647-V649 HydrophobicContact CD2-CG2 3.83Å; F647-V649 HydrophobicContact CE2-CG2 3.96Å; F647-D668 WeakPolarHBondContact CZ-O 3.45Å; F647-L671 HydrophobicContact CB-CD1 4.28Å; F647-L671 HydrophobicContact CD1-CB 3.9Å; F647-L671 HydrophobicContact CD2-CB 4.16Å; F647-L671 HydrophobicContact CD2-CD1 3.77Å; F647-L671 HydrophobicContact CE1-CB 3.66Å; F647-L671 HydrophobicContact CE2-CB 3.95Å; F647-L671 HydrophobicContact CE2-CD1 4.2Å; F647-L671 HydrophobicContact CG-CB 4.14Å; F647-L671 HydrophobicContact CG-CD1 3.95Å; F647-L671 HydrophobicContact CZ-CB 3.68Å; F647-E672 HydrophobicContact CE1-CB 4.4Å; F647-E672 HydrophobicContact CZ-CB 4.07Å; F647-E677 PolarHBondContact N-O 3.38Å; F647-R678 HydrophobicContact CD2-CG 4.42Å; F647-R678 HydrophobicContact CE1-CB 4.01Å; F647-R678 HydrophobicContact CE2-CB 4.04Å; F647-R678 HydrophobicContact CE2-CG 3.89Å; F647-R678 HydrophobicContact CZ-CB 3.7Å; F647-R678 HydrophobicContact CZ-CG 4.06Å; F647-R678 CarbonylContact O-C 3.58Å; F647-R678 WeakPolarHBondContact O-CA 3.48Å; F647-L679 PolarHBondContact O-N 2.92Å
648	C	97.1	Very high	75.6	Confident	0 Å²	0	26.9 Å²	26.9	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	142.9	168.8	-59.3	0	0	0	0	109.5	V567 L568 V569 W698 A702	V567-C648 PolarHBondContact O-N 3.15Å; L568-C648 WeakPolarHBondContact CA-O 3.23Å; L568-C648 HydrophobicContact CD2-CB 4.14Å; V569-C648 PolarHBondContact N-O 3.13Å; C648-W698 HydrophobicContact CB-CH2 4.28Å; C648-W698 HydrophobicContact CB-CZ2 3.62Å; C648-A702 HydrophobicContact CB-CB 4.36Å
649	V	97.8	Very high	77.5	Confident	0 Å²	0	26.6 Å²	26.6	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	141	176.4	-172.9	0	0	0	0	111.8	V569 F647 A664 D668 L682 G683 W698	V569-V649 HydrophobicContact CB-CB 4.36Å; V569-V649 HydrophobicContact CB-CG1 4.02Å; V569-V649 HydrophobicContact CB-CG2 4.08Å; V569-V649 HydrophobicContact CG1-CG1 4.05Å; V569-V649 HydrophobicContact CG2-CG2 4.42Å; V569-V649 CarbonylContact O-C 3.44Å; V569-V649 WeakPolarHBondContact O-CA 3.24Å; F647-V649 HydrophobicContact CD2-CG2 3.83Å; F647-V649 HydrophobicContact CE2-CG2 3.96Å; V649-A664 HydrophobicContact CG1-CB 4.1Å; V649-D668 HydrophobicContact CB-CB 3.98Å; V649-D668 HydrophobicContact CG1-CB 4.32Å; V649-D668 HydrophobicContact CG2-CB 3.76Å; V649-L682 HydrophobicContact CB-CD1 3.78Å; V649-L682 HydrophobicContact CG1-CD1 3.61Å; V649-L682 WeakPolarHBondContact O-CA 3.35Å; V649-G683 PolarHBondContact O-N 3.35Å; V649-W698 WeakPolarHBondContact O-CZ2 3.48Å; V649-W698 PolarHBondContact O-NE1 3.45Å; V649-W698 VanDerWaalsContact O-NE1 3.15Å
650	F	97.7	Very high	79.4	Confident	0 Å²	0	24.1 Å²	24.1	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	126.5	168.4	-171.1	-94.9	0	0	0	111.1	Y534 V569 V570 T571 L652 G683 A694 F695 W698	Y534-F650 HydrophobicContact CD2-CE1 4.25Å; Y534-F650 HydrophobicContact CE2-CE1 4.45Å; V569-F650 PolarHBondContact O-N 3.14Å; V570-F650 WeakPolarHBondContact CA-O 3.34Å; V570-F650 HydrophobicContact CG1-CD1 4.41Å; T571-F650 PolarHBondContact N-O 3.33Å; F650-L652 HydrophobicContact CD1-CD1 3.72Å; F650-L652 HydrophobicContact CD1-CG 4.48Å; F650-L652 HydrophobicContact CE1-CD1 3.84Å; F650-L652 HydrophobicContact CE1-CG 4.1Å; F650-G683 WeakPolarHBondContact CA-O 3.23Å; F650-A694 HydrophobicContact CE2-CB 4.42Å; F650-A694 HydrophobicContact CZ-CB 4.37Å; F650-F695 AromaticContact CD1-CD2 3.93Å; F650-F695 HydrophobicContact CD1-CD2 3.93Å; F650-F695 HydrophobicContact CD2-CD2 4.47Å; F650-F695 HydrophobicContact CE1-CB 3.81Å; F650-F695 HydrophobicContact CE1-CD2 4.04Å; F650-F695 HydrophobicContact CE1-CG 4.35Å; F650-F695 HydrophobicContact CE2-CB 4.16Å; F650-F695 HydrophobicContact CG-CD2 4.16Å; F650-F695 VanDerWaalsContact CZ-CA 3.46Å; F650-F695 HydrophobicContact CZ-CB 3.6Å; F650-F695 HydrophobicContact CZ-CD2 4.38Å; F650-F695 HydrophobicContact CZ-CG 4.5Å; F650-W698 HydrophobicContact CB-CD2 3.85Å; F650-W698 HydrophobicContact CB-CE3 3.77Å; F650-W698 HydrophobicContact CB-CH2 3.74Å; F650-W698 HydrophobicContact CB-CZ2 3.79Å; F650-W698 HydrophobicContact CB-CZ3 3.73Å; F650-W698 HydrophobicContact CD2-CB 3.89Å; F650-W698 AromaticContact CD2-CD2 3.66Å; F650-W698 HydrophobicContact CD2-CD2 3.66Å; F650-W698 AromaticContact CD2-CE3 3.89Å; F650-W698 HydrophobicContact CD2-CE3 3.89Å; F650-W698 AromaticContact CD2-CG 3.66Å; F650-W698 HydrophobicContact CD2-CG 3.66Å; F650-W698 HydrophobicContact CE2-CB 4.12Å; F650-W698 HydrophobicContact CE2-CG 4.37Å; F650-W698 HydrophobicContact CG-CD2 4.14Å; F650-W698 HydrophobicContact CG-CE3 4.04Å; F650-W698 HydrophobicContact CG-CZ3 4.41Å
651	G	96.1	Very high	81.3	Confident	0 Å²	0	23.4 Å²	23.4	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	122.9	-179.4	0	0	0	0	0	113.8	T571 C661 G683 Q684 G685	T571-G651 CarbonylContact O-C 3.55Å; T571-G651 WeakPolarHBondContact O-CA 3.38Å; G651-C661 PolarHBondContact O-SG 2.91Å; G651-G683 PolarHBondContact N-O 2.75Å; G651-Q684 WeakPolarHBondContact O-CA 3.48Å; G651-G685 PolarHBondContact O-N 3.35Å
652	L	92.8	Very high	82.8	Confident	6 Å²	6	21.5 Å²	21.5	3%	0.031	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	135.2	168.1	-64.3	75.7	0	0	0	109.4	R530 A531 Y534 V570 T571 S572 T573 F650	R530-L652 HydrophobicContact CB-CD2 3.74Å; A531-L652 HydrophobicContact CB-CD1 3.77Å; A531-L652 HydrophobicContact CB-CD2 4.05Å; A531-L652 HydrophobicContact CB-CG 4.5Å; Y534-L652 HydrophobicContact CD2-CD1 4.09Å; Y534-L652 HydrophobicContact CD2-CD2 3.83Å; Y534-L652 HydrophobicContact CD2-CG 4.15Å; Y534-L652 HydrophobicContact CE2-CD2 3.82Å; Y534-L652 HydrophobicContact CE2-CG 4.21Å; V570-L652 HydrophobicContact CG1-CD1 3.99Å; T571-L652 PolarHBondContact O-N 3.07Å; S572-L652 CarbonylContact C-O 3.48Å; S572-L652 WeakPolarHBondContact CA-O 3.39Å; T573-L652 PolarHBondContact N-O 2.99Å; F650-L652 HydrophobicContact CD1-CD1 3.72Å; F650-L652 HydrophobicContact CD1-CG 4.48Å; F650-L652 HydrophobicContact CE1-CD1 3.84Å; F650-L652 HydrophobicContact CE1-CG 4.1Å
653	G	87.9	Confident	83.9	Confident	12 Å²	12	21.6 Å²	21.6	12%	0.124	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-167.9	-169.6	175.4	0	0	0	0	0	111.5	C661 G685 D686 E687 Q691	G653-C661 PolarHBondContact N-SG 3.2Å; G653-G685 PolarHBondContact N-O 2.64Å; G653-G685 VanDerWaalsContact O-O 3.09Å; G653-D686 WeakPolarHBondContact O-CA 3.29Å; G653-E687 PolarHBondContact O-N 3.02Å; G653-Q691 PolarHBondContact O-NE2 3.44Å
654	S	81.7	Confident	85.4	Confident	9 Å²	9	20.3 Å²	20.3	6%	0.063	10%	0.102	C	C	.	.			trans	-135.7	135.1	176.5	168.5	0	0	0	0	110.2	A656 Y657 F660 D686	S654-A656 PolarHBondContact O-N 2.97Å; S654-A656 VanDerWaalsContact O-N 3.14Å; S654-A656 WeakPolarHBondContact OG-CB 3.48Å; S654-A656 PolarHBondContact OG-N 3.2Å; S654-Y657 PolarHBondContact O-N 2.87Å; S654-Y657 VanDerWaalsContact O-N 3.16Å; S654-F660 VanDerWaalsContact C-CD2 3.48Å; S654-D686 WeakPolarHBondContact CA-OD1 3.29Å
655	R	79.1	Confident	86.6	Confident	90 Å²	90	21.2 Å²	21.2	34%	0.34	10%	0.098	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.3	2.8	175.9	-72.1	-177.8	-179.6	-173.5	-0.1	114.1	Y657 F660 D686 I1173 S1177	R655-Y657 VanDerWaalsContact C-N 3.26Å; R655-F660 HydrophobicContact CG-CD1 4.04Å; R655-F660 HydrophobicContact CG-CD2 3.85Å; R655-F660 HydrophobicContact CG-CE1 4.14Å; R655-F660 HydrophobicContact CG-CE2 3.95Å; R655-F660 HydrophobicContact CG-CG 3.9Å; R655-F660 HydrophobicContact CG-CZ 4.09Å; R655-D686 VanDerWaalsContact CD-OD2 3.29Å; R655-D686 WeakPolarHBondContact CD-OD2 3.41Å; R655-D686 HydrophobicContact CG-CB 4.4Å; R655-D686 WeakPolarHBondContact CG-OD2 3.43Å; R655-D686 PolarHBondContact N-OD1 2.81Å; R655-D686 IonicContact NE-OD2 3.96Å; R655-I1173 HydrophobicContact CB-CG2 3.94Å; R655-S1177 VanDerWaalsContact CD-OG 3.26Å; R655-S1177 WeakPolarHBondContact CD-OG 3.35Å; R655-S1177 PolarHBondContact NH1-OG 3.27Å; R655-S1177 VanDerWaalsContact NH1-OG 3.11Å
656	A	68.4	Low	86.9	Confident	12 Å²	12	21.1 Å²	21.1	10%	0.099	10%	0.098	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-23	164.8	0	0	0	0	0	113.5	S654 L688 V1117 L1162 I1173	S654-A656 PolarHBondContact O-N 2.97Å; S654-A656 VanDerWaalsContact O-N 3.14Å; S654-A656 WeakPolarHBondContact OG-CB 3.48Å; S654-A656 PolarHBondContact OG-N 3.2Å; A656-L688 HydrophobicContact CB-CD1 4.25Å; A656-V1117 HydrophobicContact CB-CG1 4.37Å; A656-V1117 WeakPolarHBondContact O-CG2 3.37Å; A656-L1162 HydrophobicContact CB-CD1 3.63Å; A656-L1162 HydrophobicContact CB-CD2 4.1Å; A656-L1162 HydrophobicContact CB-CG 3.75Å; A656-I1173 HydrophobicContact CB-CD1 4.34Å
657	Y	73.7	Confident	87	Confident	71 Å²	71	18.3 Å²	18.3	28%	0.278	9%	0.087	S	C	.	.	S	Bend	trans	-100.8	138	-177.8	-60.8	-101.5	0	0	0	110	S654 R655 H659 F660 V1117 I1159 G1161	S654-Y657 PolarHBondContact O-N 2.87Å; S654-Y657 VanDerWaalsContact O-N 3.16Å; R655-Y657 VanDerWaalsContact C-N 3.26Å; Y657-H659 PolarHBondContact O-N 3.13Å; Y657-F660 PolarHBondContact O-N 3.01Å; Y657-V1117 HydrophobicContact CD1-CB 4.47Å; Y657-V1117 HydrophobicContact CD1-CG2 3.63Å; Y657-V1117 HydrophobicContact CE1-CB 4.43Å; Y657-V1117 HydrophobicContact CE1-CG2 4.06Å; Y657-V1117 HydrophobicContact CG-CG2 4.04Å; Y657-I1159 HydrophobicContact CE1-CG2 4.03Å; Y657-G1161 VanDerWaalsContact OH-CA 3.29Å; Y657-G1161 WeakPolarHBondContact OH-CA 3.45Å
658	P	69.4	Low	86.9	Confident	59 Å²	59	18.8 Å²	18.8	38%	0.383	9%	0.09	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.4	-41.2	179.5	-26.4	34.8	0	0	0	112.9	F660 T1121	P658-F660 VanDerWaalsContact C-N 3.3Å; P658-F660 PolarHBondContact O-N 2.72Å; P658-T1121 HydrophobicContact CG-CG2 4Å; P658-T1121 VanDerWaalsContact CG-OG1 3.31Å; P658-T1121 WeakPolarHBondContact CG-OG1 3.46Å
659	H	78.6	Confident	86.3	Confident	16 Å²	16	19.6 Å²	19.6	7%	0.074	10%	0.095	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.5	47.4	-173.3	-55.9	-60.4	0	0	0	112.1	N576 N614 Y657 C661 A662	N576-H659 PolarHBondContact O-CD2 3.11Å; N576-H659 PolarHBondContact OD1-CD2 2.86Å; N614-H659 PolarHBondContact O-CE1 2.87Å; Y657-H659 PolarHBondContact O-N 3.13Å; H659-C661 PolarHBondContact O-N 3.37Å; H659-C661 VanDerWaalsContact O-N 3.14Å; H659-A662 HydrophobicContact CB-CB 3.94Å; H659-A662 VanDerWaalsContact O-CB 3.26Å; H659-A662 WeakPolarHBondContact O-CB 3.49Å; H659-A662 PolarHBondContact O-N 3.38Å
660	F	84.1	Confident	85.7	Confident	27 Å²	27	20.5 Å²	20.5	12%	0.118	10%	0.098	C	C	.	.	T	Hydrogen-bonded Turn	trans	-48.3	113.4	-177.5	172.7	-119.5	0	0	0	113.5	S654 R655 Y657 P658 A662 R665 Q684 D686	S654-F660 VanDerWaalsContact C-CD2 3.48Å; R655-F660 HydrophobicContact CG-CD1 4.04Å; R655-F660 HydrophobicContact CG-CD2 3.85Å; R655-F660 HydrophobicContact CG-CE1 4.14Å; R655-F660 HydrophobicContact CG-CE2 3.95Å; R655-F660 HydrophobicContact CG-CG 3.9Å; R655-F660 HydrophobicContact CG-CZ 4.09Å; Y657-F660 PolarHBondContact O-N 3.01Å; P658-F660 VanDerWaalsContact C-N 3.3Å; P658-F660 PolarHBondContact O-N 2.72Å; F660-A662 VanDerWaalsContact C-N 3.29Å; F660-A662 PolarHBondContact O-N 3.49Å; F660-R665 PolarHBondContact O-NH1 3.14Å; F660-Q684 HydrophobicContact CE1-CB 4.01Å; F660-Q684 VanDerWaalsContact CE1-NE2 3.28Å; F660-Q684 HydrophobicContact CZ-CB 4.07Å; F660-D686 HydrophobicContact CE2-CB 3.97Å; F660-D686 HydrophobicContact CZ-CB 3.96Å
661	C	88.4	Confident	85.2	Confident	1 Å²	1	20.5 Å²	20.5	1%	0.007	10%	0.098	C	C	.	.	T	Hydrogen-bonded Turn	trans	55	31.8	-175.8	-50	0	0	0	0	115.2	T573 G651 G653 H659 F663 A664 R665 Q684	T573-C661 WeakPolarHBondContact OG1-CA 3.41Å; G651-C661 PolarHBondContact O-SG 2.91Å; G653-C661 PolarHBondContact N-SG 3.2Å; H659-C661 PolarHBondContact O-N 3.37Å; H659-C661 VanDerWaalsContact O-N 3.14Å; C661-F663 PolarHBondContact O-N 3.46Å; C661-A664 HydrophobicContact CB-CB 4.39Å; C661-A664 PolarHBondContact O-N 2.73Å; C661-R665 PolarHBondContact O-N 2.77Å; C661-R665 VanDerWaalsContact O-N 3.11Å; C661-Q684 HydrophobicContact CB-CG 4.37Å
662	A	87.2	Confident	84.5	Confident	0 Å²	0	21.5 Å²	21.5	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-57.2	-41.9	-175.6	0	0	0	0	0	114.4	T573 N614 H659 F660 A664 R665 A666	T573-A662 HydrophobicContact CG2-CB 4.26Å; T573-A662 PolarHBondContact OG1-N 2.7Å; N614-A662 WeakPolarHBondContact OD1-CB 3.19Å; H659-A662 HydrophobicContact CB-CB 3.94Å; H659-A662 VanDerWaalsContact O-CB 3.26Å; H659-A662 WeakPolarHBondContact O-CB 3.49Å; H659-A662 PolarHBondContact O-N 3.38Å; F660-A662 VanDerWaalsContact C-N 3.29Å; F660-A662 PolarHBondContact O-N 3.49Å; A662-A664 VanDerWaalsContact C-N 3.31Å; A662-A664 PolarHBondContact O-N 3.46Å; A662-R665 WeakPolarHBondContact O-CB 3.29Å; A662-R665 PolarHBondContact O-N 3.48Å; A662-R665 VanDerWaalsContact O-N 3.13Å; A662-A666 PolarHBondContact O-N 2.81Å
663	F	92.1	Very high	83.8	Confident	2 Å²	2	22.5 Å²	22.5	1%	0.009	11%	0.107	C	C	.	.	H	α-helix	trans	-63.4	-37.7	178.3	-178.8	-139.1	0	0	0	112.6	M553 T571 T573 P579 P580 F586 A587 Y609 C661 A666 V667	M553-F663 HydrophobicContact CE-CE1 4.2Å; M553-F663 HydrophobicContact CE-CZ 4.24Å; M553-F663 HydrophobicContact SD-CE1 3.66Å; M553-F663 HydrophobicContact SD-CZ 3.74Å; T571-F663 HydrophobicContact CG2-CD1 3.75Å; T571-F663 HydrophobicContact CG2-CE1 4.14Å; T571-F663 HydrophobicContact CG2-CG 4.43Å; T571-F663 VanDerWaalsContact OG1-CD1 3.25Å; T571-F663 WeakPolarHBondContact OG1-CD1 3.4Å; T571-F663 VanDerWaalsContact OG1-CE1 3.29Å; T571-F663 WeakPolarHBondContact OG1-CE1 3.16Å; T573-F663 HydrophobicContact CG2-CB 4.4Å; T573-F663 PolarHBondContact OG1-N 2.75Å; P579-F663 HydrophobicContact CB-CD1 3.78Å; P579-F663 HydrophobicContact CB-CD2 3.93Å; P579-F663 HydrophobicContact CB-CE1 3.79Å; P579-F663 HydrophobicContact CB-CE2 3.96Å; P579-F663 HydrophobicContact CB-CG 3.85Å; P579-F663 HydrophobicContact CB-CZ 3.88Å; P580-F663 VanDerWaalsContact CD-CD1 3.42Å; F586-F663 HydrophobicContact CD1-CZ 4.45Å; A587-F663 HydrophobicContact CB-CD2 4.39Å; A587-F663 HydrophobicContact CB-CE2 3.55Å; A587-F663 HydrophobicContact CB-CZ 4.08Å; Y609-F663 HydrophobicContact CE2-CD2 4.04Å; Y609-F663 WeakPolarHBondContact OH-CA 3.44Å; Y609-F663 WeakPolarHBondContact OH-CB 3.39Å; Y609-F663 PolarHBondContact OH-N 3.05Å; C661-F663 PolarHBondContact O-N 3.46Å; F663-A666 WeakPolarHBondContact O-CB 3.42Å; F663-A666 PolarHBondContact O-N 2.76Å; F663-V667 HydrophobicContact CD2-CG2 3.89Å; F663-V667 HydrophobicContact CE2-CG2 3.44Å; F663-V667 VanDerWaalsContact CE2-CG2 3.44Å; F663-V667 HydrophobicContact CZ-CG2 3.87Å; F663-V667 WeakPolarHBondContact O-CG2 3.44Å; F663-V667 PolarHBondContact O-N 3.38Å
664	A	92.6	Very high	83.1	Confident	0 Å²	0	21.9 Å²	21.9	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-66.5	-37.6	174.8	0	0	0	0	0	112.2	T571 V649 C661 A662 D668 L682	T571-A664 HydrophobicContact CG2-CB 3.86Å; V649-A664 HydrophobicContact CG1-CB 4.1Å; C661-A664 HydrophobicContact CB-CB 4.39Å; C661-A664 PolarHBondContact O-N 2.73Å; A662-A664 VanDerWaalsContact C-N 3.31Å; A662-A664 PolarHBondContact O-N 3.46Å; A664-D668 WeakPolarHBondContact O-CB 3.07Å; A664-D668 PolarHBondContact O-N 3.31Å; A664-L682 HydrophobicContact CB-CD1 4.03Å
665	R	90.2	Very high	82.4	Confident	79 Å²	79	22 Å²	22	30%	0.298	10%	0.103	S	C	.	.	H	α-helix	trans	-62.3	-42	169.9	-70.9	-163.3	-59.3	-88.7	-3.1	112.1	F613 F660 C661 A662 T669 L682	F613-R665 PolarHBondContact O-NH2 3.42Å; F660-R665 PolarHBondContact O-NH1 3.14Å; C661-R665 PolarHBondContact O-N 2.77Å; C661-R665 VanDerWaalsContact O-N 3.11Å; A662-R665 WeakPolarHBondContact O-CB 3.29Å; A662-R665 PolarHBondContact O-N 3.48Å; A662-R665 VanDerWaalsContact O-N 3.13Å; R665-T669 VanDerWaalsContact O-CB 3.28Å; R665-T669 WeakPolarHBondContact O-CB 3.46Å; R665-T669 PolarHBondContact O-N 3.28Å; R665-T669 PolarHBondContact O-OG1 2.8Å; R665-L682 HydrophobicContact CB-CD2 4.38Å; R665-L682 HydrophobicContact CG-CD2 3.76Å
666	A	86.1	Confident	82.4	Confident	0 Å²	0	17.7 Å²	17.7	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-62.4	-49.7	-178.9	0	0	0	0	0	111	M591 Y609 F613 A662 F663 T669 R670	M591-A666 HydrophobicContact CE-CB 3.95Å; Y609-A666 HydrophobicContact CD2-CB 4.34Å; Y609-A666 HydrophobicContact CE2-CB 3.65Å; F613-A666 HydrophobicContact CB-CB 4.23Å; F613-A666 HydrophobicContact CD1-CB 3.91Å; F613-A666 HydrophobicContact CD2-CB 3.69Å; F613-A666 HydrophobicContact CE1-CB 4.23Å; F613-A666 HydrophobicContact CE2-CB 4.04Å; F613-A666 HydrophobicContact CG-CB 3.63Å; F613-A666 HydrophobicContact CZ-CB 4.3Å; A662-A666 PolarHBondContact O-N 2.81Å; F663-A666 WeakPolarHBondContact O-CB 3.42Å; F663-A666 PolarHBondContact O-N 2.76Å; A666-T669 PolarHBondContact O-N 3.31Å; A666-R670 VanDerWaalsContact O-CB 3.32Å; A666-R670 WeakPolarHBondContact O-CB 3.46Å; A666-R670 VanDerWaalsContact O-CG 3.24Å; A666-R670 WeakPolarHBondContact O-CG 3.48Å; A666-R670 PolarHBondContact O-N 3.44Å
667	V	90.9	Very high	83	Confident	1 Å²	1	21.3 Å²	21.3	1%	0.006	10%	0.102	C	C	.	.	H	α-helix	trans	-63.6	-45.9	177	177.6	0	0	0	0	111.6	V569 F586 L590 F663 T669 R670 L671	V569-V667 HydrophobicContact CB-CG1 4.49Å; V569-V667 HydrophobicContact CG1-CG1 4.18Å; V569-V667 HydrophobicContact CG2-CG1 3.99Å; F586-V667 HydrophobicContact CE1-CG1 4.15Å; F586-V667 HydrophobicContact CE1-CG2 4.16Å; L590-V667 HydrophobicContact CD2-CB 4.22Å; L590-V667 HydrophobicContact CD2-CG1 4Å; L590-V667 HydrophobicContact CD2-CG2 4.04Å; F663-V667 HydrophobicContact CD2-CG2 3.89Å; F663-V667 HydrophobicContact CE2-CG2 3.44Å; F663-V667 VanDerWaalsContact CE2-CG2 3.44Å; F663-V667 HydrophobicContact CZ-CG2 3.87Å; F663-V667 WeakPolarHBondContact O-CG2 3.44Å; F663-V667 PolarHBondContact O-N 3.38Å; V667-T669 VanDerWaalsContact C-N 3.31Å; V667-T669 PolarHBondContact O-N 2.64Å; V667-R670 PolarHBondContact O-N 2.9Å; V667-L671 HydrophobicContact CG1-CD1 3.72Å; V667-L671 HydrophobicContact CG1-CG 4.11Å; V667-L671 WeakPolarHBondContact O-CB 3.3Å; V667-L671 WeakPolarHBondContact O-CG 3.35Å; V667-L671 PolarHBondContact O-N 2.93Å
668	D	92.3	Very high	83.7	Confident	10 Å²	10	20.6 Å²	20.6	5%	0.053	10%	0.099	C	C	.	.	H	α-helix	trans	-60.5	-37.7	177.9	-179.6	82	0	0	0	113.1	F647 V649 A664 R678 L682	F647-D668 WeakPolarHBondContact CZ-O 3.45Å; V649-D668 HydrophobicContact CB-CB 3.98Å; V649-D668 HydrophobicContact CG1-CB 4.32Å; V649-D668 HydrophobicContact CG2-CB 3.76Å; A664-D668 WeakPolarHBondContact O-CB 3.07Å; A664-D668 PolarHBondContact O-N 3.31Å; D668-R678 VanDerWaalsContact CG-NE 3.32Å; D668-R678 PolarHBondContact O-NH2 2.92Å; D668-R678 IonicContact OD1-CZ 3.9Å; D668-R678 IonicContact OD1-NE 3.91Å; D668-R678 PolarHBondContact OD1-NE 2.83Å; D668-R678 IonicContact OD1-NH2 2.74Å; D668-R678 IonicContact OD2-CZ 2.72Å; D668-R678 VanDerWaalsContact OD2-CZ 3.31Å; D668-R678 IonicContact OD2-NE 3.71Å; D668-R678 PolarHBondContact OD2-NE 3.15Å; D668-R678 VanDerWaalsContact OD2-NE 3.13Å; D668-R678 IonicContact OD2-NH2 2.74Å; D668-R678 PolarHBondContact OD2-NH2 2.89Å; D668-L682 HydrophobicContact CB-CB 4.44Å; D668-L682 HydrophobicContact CB-CD1 4.32Å; D668-L682 HydrophobicContact CB-CD2 4.39Å
669	T	85.6	Confident	84.5	Confident	17 Å²	17	19.2 Å²	19.2	10%	0.104	9%	0.088	C	C	.	.	H	α-helix	trans	-73.6	-43.5	176.5	-54	0	0	0	0	111.1	F613 R665 A666 V667 E672 E673	F613-T669 HydrophobicContact CE1-CG2 4.16Å; F613-T669 HydrophobicContact CZ-CG2 4.42Å; R665-T669 VanDerWaalsContact O-CB 3.28Å; R665-T669 WeakPolarHBondContact O-CB 3.46Å; R665-T669 PolarHBondContact O-N 3.28Å; R665-T669 PolarHBondContact O-OG1 2.8Å; A666-T669 PolarHBondContact O-N 3.31Å; V667-T669 VanDerWaalsContact C-N 3.31Å; V667-T669 PolarHBondContact O-N 2.64Å; T669-E672 WeakPolarHBondContact O-CB 3.45Å; T669-E672 PolarHBondContact O-N 2.84Å; T669-E673 HydrophobicContact CG2-CG 4.35Å; T669-E673 WeakPolarHBondContact O-CG 3.46Å; T669-E673 PolarHBondContact O-N 2.92Å
670	R	85	Confident	85	Confident	19 Å²	19	20.6 Å²	20.6	7%	0.072	10%	0.096	C	C	.	.	H	α-helix	trans	-69.9	-42.3	-176.5	-73.9	-64.7	-61.8	154.8	-3.7	113.6	L590 M591 M593 F613 A666 V667 E672 E673 L674	L590-R670 HydrophobicContact CD1-CB 4.35Å; L590-R670 HydrophobicContact CD2-CB 3.85Å; L590-R670 HydrophobicContact CG-CB 3.81Å; L590-R670 HydrophobicContact CG-CG 4.5Å; L590-R670 PolarHBondContact O-NE 3.09Å; L590-R670 PolarHBondContact O-NH2 3.34Å; M591-R670 HydrophobicContact CE-CG 3.6Å; M591-R670 PolarHBondContact O-NH2 2.91Å; M591-R670 VanDerWaalsContact SD-CD 3.54Å; M591-R670 HydrophobicContact SD-CG 3.65Å; M593-R670 PolarHBondContact O-NH2 3Å; F613-R670 HydrophobicContact CZ-CG 4.42Å; A666-R670 VanDerWaalsContact O-CB 3.32Å; A666-R670 WeakPolarHBondContact O-CB 3.46Å; A666-R670 VanDerWaalsContact O-CG 3.24Å; A666-R670 WeakPolarHBondContact O-CG 3.48Å; A666-R670 PolarHBondContact O-N 3.44Å; V667-R670 PolarHBondContact O-N 2.9Å; R670-E672 PolarHBondContact O-N 3.23Å; R670-E673 VanDerWaalsContact CD-OE2 3.3Å; R670-E673 WeakPolarHBondContact CD-OE2 3.27Å; R670-E673 IonicContact CZ-OE2 3.85Å; R670-E673 IonicContact NE-OE2 2.81Å; R670-E673 IonicContact NH1-OE2 3.19Å; R670-E673 PolarHBondContact NH1-OE2 3.47Å; R670-E673 PolarHBondContact O-N 3.37Å; R670-L674 WeakPolarHBondContact O-CB 3.34Å; R670-L674 WeakPolarHBondContact O-CG 3.39Å; R670-L674 PolarHBondContact O-N 3.33Å
671	L	86.5	Confident	85.2	Confident	0 Å²	0	27 Å²	27	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-58.3	-33.2	173.9	-69	174.5	0	0	0	111.3	L561 V569 L590 L642 L645 F647 V667 G676	L561-L671 HydrophobicContact CD1-CD2 3.91Å; L561-L671 HydrophobicContact CD2-CD2 4.49Å; V569-L671 HydrophobicContact CG2-CD1 4.29Å; L590-L671 HydrophobicContact CD1-CD2 4.02Å; L642-L671 HydrophobicContact CD1-CD2 3.77Å; L645-L671 HydrophobicContact CD2-CD2 4.04Å; F647-L671 HydrophobicContact CB-CD1 4.28Å; F647-L671 HydrophobicContact CD1-CB 3.9Å; F647-L671 HydrophobicContact CD2-CB 4.16Å; F647-L671 HydrophobicContact CD2-CD1 3.77Å; F647-L671 HydrophobicContact CE1-CB 3.66Å; F647-L671 HydrophobicContact CE2-CB 3.95Å; F647-L671 HydrophobicContact CE2-CD1 4.2Å; F647-L671 HydrophobicContact CG-CB 4.14Å; F647-L671 HydrophobicContact CG-CD1 3.95Å; F647-L671 HydrophobicContact CZ-CB 3.68Å; V667-L671 HydrophobicContact CG1-CD1 3.72Å; V667-L671 HydrophobicContact CG1-CG 4.11Å; V667-L671 WeakPolarHBondContact O-CB 3.3Å; V667-L671 WeakPolarHBondContact O-CG 3.35Å; V667-L671 PolarHBondContact O-N 2.93Å; L671-G676 WeakPolarHBondContact O-CA 3.49Å; L671-G676 PolarHBondContact O-N 2.94Å
672	E	82.1	Confident	85.4	Confident	20 Å²	20	28.2 Å²	28.2	9%	0.093	13%	0.132	C	C	.	.	H	α-helix	trans	-77.1	-42.5	175.4	-167.4	167.4	-135.1	0	0	113.8	W626 R630 F647 T669 R670 L674 G675 R678	W626-E672 HydrophobicContact CH2-CG 3.66Å; W626-E672 HydrophobicContact CZ2-CG 3.95Å; R630-E672 IonicContact CZ-OE1 2.72Å; R630-E672 IonicContact NH1-OE1 3.87Å; R630-E672 PolarHBondContact NH1-OE1 3.24Å; F647-E672 HydrophobicContact CE1-CB 4.4Å; F647-E672 HydrophobicContact CZ-CB 4.07Å; T669-E672 WeakPolarHBondContact O-CB 3.45Å; T669-E672 PolarHBondContact O-N 2.84Å; R670-E672 PolarHBondContact O-N 3.23Å; E672-L674 PolarHBondContact O-N 3Å; E672-G675 PolarHBondContact O-N 3.29Å; E672-R678 IonicContact OE1-CZ 3.1Å; E672-R678 IonicContact OE1-NH1 3.75Å; E672-R678 PolarHBondContact OE1-NH1 2.7Å; E672-R678 IonicContact OE1-NH2 2.7Å; E672-R678 IonicContact OE2-CZ 2.73Å; E672-R678 VanDerWaalsContact OE2-CZ 3.27Å; E672-R678 IonicContact OE2-NH1 2.67Å; E672-R678 PolarHBondContact OE2-NH1 3.27Å; E672-R678 IonicContact OE2-NH2 3.69Å; E672-R678 PolarHBondContact OE2-NH2 2.96Å
673	E	77.2	Confident	85.6	Confident	27 Å²	27	28.7 Å²	28.7	13%	0.126	14%	0.137	C	C	.	.	H	α-helix	trans	-58.9	-35	174.2	-77.3	179	178.6	0	0	112.2	R612 T669 R670 G675	R612-E673 IonicContact CZ-OE1 3.67Å; R612-E673 VanDerWaalsContact CZ-OE1 3.31Å; R612-E673 IonicContact CZ-OE2 2.84Å; R612-E673 IonicContact NH1-OE1 3.57Å; R612-E673 PolarHBondContact NH1-OE1 3.33Å; R612-E673 IonicContact NH1-OE2 3.93Å; R612-E673 PolarHBondContact NH1-OE2 2.89Å; R612-E673 IonicContact NH2-OE1 3.97Å; R612-E673 PolarHBondContact NH2-OE1 2.85Å; R612-E673 IonicContact NH2-OE2 2.67Å; T669-E673 HydrophobicContact CG2-CG 4.35Å; T669-E673 WeakPolarHBondContact O-CG 3.46Å; T669-E673 PolarHBondContact O-N 2.92Å; R670-E673 VanDerWaalsContact CD-OE2 3.3Å; R670-E673 WeakPolarHBondContact CD-OE2 3.27Å; R670-E673 IonicContact CZ-OE2 3.85Å; R670-E673 IonicContact NE-OE2 2.81Å; R670-E673 IonicContact NH1-OE2 3.19Å; R670-E673 PolarHBondContact NH1-OE2 3.47Å; R670-E673 PolarHBondContact O-N 3.37Å; E673-G675 PolarHBondContact O-N 3.16Å
674	L	73.1	Confident	85.7	Confident	0 Å²	0	32.3 Å²	32.3	0%	0	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.3	-1.2	177.3	-65.4	170.4	0	0	0	113.8	L590 M593 G640 A641 L642 R670 E672	L590-L674 HydrophobicContact CD1-CD1 3.61Å; M593-L674 HydrophobicContact CB-CD1 3.77Å; M593-L674 HydrophobicContact CB-CD2 3.62Å; M593-L674 HydrophobicContact CB-CG 4.36Å; M593-L674 HydrophobicContact CG-CD1 4.41Å; M593-L674 WeakPolarHBondContact O-CD2 3.42Å; M593-L674 HydrophobicContact SD-CD1 3.84Å; G640-L674 CarbonylContact C-O 3.56Å; G640-L674 WeakPolarHBondContact CA-O 3.19Å; A641-L674 PolarHBondContact N-O 3.29Å; A641-L674 VanDerWaalsContact N-O 3.13Å; L642-L674 HydrophobicContact CB-CB 4.36Å; L642-L674 HydrophobicContact CD1-CB 3.67Å; L642-L674 HydrophobicContact CD1-CD1 3.95Å; L642-L674 HydrophobicContact CD1-CG 4.48Å; L642-L674 HydrophobicContact CG-CB 3.82Å; L642-L674 PolarHBondContact N-O 3.25Å; R670-L674 WeakPolarHBondContact O-CB 3.34Å; R670-L674 WeakPolarHBondContact O-CG 3.39Å; R670-L674 PolarHBondContact O-N 3.33Å; E672-L674 PolarHBondContact O-N 3Å
675	G	68.4	Low	85.4	Confident	10 Å²	10	32.3 Å²	32.3	10%	0.103	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	101.7	4.4	172.6	0	0	0	0	0	116.1	E672 E673	E672-G675 PolarHBondContact O-N 3.29Å; E673-G675 PolarHBondContact O-N 3.16Å
676	G	78.7	Confident	85.1	Confident	0 Å²	0	29 Å²	29	0%	0	14%	0.142	C	C	.	.			trans	-67.6	148.9	174.7	0	0	0	0	0	112.7	L642 L671	L642-G676 WeakPolarHBondContact O-CA 3.15Å; L671-G676 WeakPolarHBondContact O-CA 3.49Å; L671-G676 PolarHBondContact O-N 2.94Å
677	E	81.5	Confident	84.8	Confident	89 Å²	89	33 Å²	33	42%	0.416	16%	0.161	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	108.4	179.5	-167.9	179.7	133.6	0	0	110.8	L645 R646 F647 L679	L645-E677 PolarHBondContact O-N 3Å; R646-E677 WeakPolarHBondContact CA-O 3.49Å; R646-E677 IonicContact CZ-OE1 2.66Å; R646-E677 IonicContact CZ-OE2 2.68Å; R646-E677 VanDerWaalsContact CZ-OE2 3.24Å; R646-E677 IonicContact NE-OE2 3.45Å; R646-E677 VanDerWaalsContact NH1-CD 3.25Å; R646-E677 IonicContact NH1-OE1 2.88Å; R646-E677 PolarHBondContact NH1-OE1 3.42Å; R646-E677 IonicContact NH1-OE2 2.85Å; R646-E677 IonicContact NH2-OE1 2.68Å; R646-E677 PolarHBondContact NH2-OE1 2.83Å; R646-E677 IonicContact NH2-OE2 3.19Å; R646-E677 PolarHBondContact NH2-OE2 2.94Å; F647-E677 PolarHBondContact N-O 3.38Å; E677-L679 PolarHBondContact O-N 2.81Å
678	R	88.8	Confident	83.9	Confident	56 Å²	56	33.4 Å²	33.4	21%	0.211	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.8	119	176.3	-167.5	-164.7	-66.8	93.6	-0.5	110.3	F647 D668 E672 L680	F647-R678 HydrophobicContact CD2-CG 4.42Å; F647-R678 HydrophobicContact CE1-CB 4.01Å; F647-R678 HydrophobicContact CE2-CB 4.04Å; F647-R678 HydrophobicContact CE2-CG 3.89Å; F647-R678 HydrophobicContact CZ-CB 3.7Å; F647-R678 HydrophobicContact CZ-CG 4.06Å; F647-R678 CarbonylContact O-C 3.58Å; F647-R678 WeakPolarHBondContact O-CA 3.48Å; D668-R678 VanDerWaalsContact CG-NE 3.32Å; D668-R678 PolarHBondContact O-NH2 2.92Å; D668-R678 IonicContact OD1-CZ 3.9Å; D668-R678 IonicContact OD1-NE 3.91Å; D668-R678 PolarHBondContact OD1-NE 2.83Å; D668-R678 IonicContact OD1-NH2 2.74Å; D668-R678 IonicContact OD2-CZ 2.72Å; D668-R678 VanDerWaalsContact OD2-CZ 3.31Å; D668-R678 IonicContact OD2-NE 3.71Å; D668-R678 PolarHBondContact OD2-NE 3.15Å; D668-R678 VanDerWaalsContact OD2-NE 3.13Å; D668-R678 IonicContact OD2-NH2 2.74Å; D668-R678 PolarHBondContact OD2-NH2 2.89Å; E672-R678 IonicContact OE1-CZ 3.1Å; E672-R678 IonicContact OE1-NH1 3.75Å; E672-R678 PolarHBondContact OE1-NH1 2.7Å; E672-R678 IonicContact OE1-NH2 2.7Å; E672-R678 IonicContact OE2-CZ 2.73Å; E672-R678 VanDerWaalsContact OE2-CZ 3.27Å; E672-R678 IonicContact OE2-NH1 2.67Å; E672-R678 PolarHBondContact OE2-NH1 3.27Å; E672-R678 IonicContact OE2-NH2 3.69Å; E672-R678 PolarHBondContact OE2-NH2 2.96Å; R678-L680 WeakPolarHBondContact CD-O 3.43Å; R678-L680 WeakPolarHBondContact CG-O 3.36Å
679	L	85.1	Confident	82.9	Confident	30 Å²	30	33.3 Å²	33.3	16%	0.157	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	-29.9	178.9	-54.9	-175	0	0	0	113.3	L566 R646 F647 E677 A705 A706 T709 F710	L566-L679 HydrophobicContact CD1-CD1 4.05Å; R646-L679 HydrophobicContact CB-CD1 3.95Å; R646-L679 HydrophobicContact CB-CD2 3.88Å; R646-L679 HydrophobicContact CB-CG 3.94Å; R646-L679 HydrophobicContact CG-CD2 4.06Å; R646-L679 VanDerWaalsContact NH1-CD2 3.33Å; F647-L679 PolarHBondContact O-N 2.92Å; E677-L679 PolarHBondContact O-N 2.81Å; L679-A705 HydrophobicContact CB-CB 4.28Å; L679-A706 HydrophobicContact CD1-CB 4.35Å; L679-T709 HydrophobicContact CD1-CG2 4.47Å; L679-T709 HydrophobicContact CD2-CG2 4Å; L679-F710 HydrophobicContact CD1-CE2 4.41Å
680	L	89.6	Confident	82	Confident	45 Å²	45	33.2 Å²	33.2	24%	0.236	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144	140.8	179.4	-176.6	69.4	0	0	0	109.9	R678 W698 A701 A702	R678-L680 WeakPolarHBondContact CD-O 3.43Å; R678-L680 WeakPolarHBondContact CG-O 3.36Å; L680-W698 HydrophobicContact CD2-CG 4.27Å; L680-A701 HydrophobicContact CD1-CB 4.2Å; L680-A701 HydrophobicContact CD2-CB 3.6Å; L680-A702 HydrophobicContact CD2-CB 3.97Å
681	Q	88.7	Confident	81.7	Confident	161 Å²	161	32.7 Å²	32.7	75%	0.752	16%	0.164	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-50.6	143.2	175.3	-174.4	171.8	-3.9	0	0	112.3	G683 W698	Q681-G683 PolarHBondContact O-N 3.26Å; Q681-G683 VanDerWaalsContact O-N 3.15Å; Q681-W698 PolarHBondContact O-NE1 2.72Å
682	L	91.8	Very high	81.1	Confident	26 Å²	26	34.6 Å²	34.6	14%	0.136	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-45.8	118.1	172.4	171.2	64	0	0	0	111.1	V649 A664 R665 D668 Q684	V649-L682 HydrophobicContact CB-CD1 3.78Å; V649-L682 HydrophobicContact CG1-CD1 3.61Å; V649-L682 WeakPolarHBondContact O-CA 3.35Å; A664-L682 HydrophobicContact CB-CD1 4.03Å; R665-L682 HydrophobicContact CB-CD2 4.38Å; R665-L682 HydrophobicContact CG-CD2 3.76Å; D668-L682 HydrophobicContact CB-CB 4.44Å; D668-L682 HydrophobicContact CB-CD1 4.32Å; D668-L682 HydrophobicContact CB-CD2 4.39Å; L682-Q684 HydrophobicContact CD2-CG 4.36Å; L682-Q684 HydrophobicContact CG-CG 4.16Å
683	G	92	Very high	80.7	Confident	10 Å²	10	38.1 Å²	38.1	10%	0.103	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	143.9	169.2	0	0	0	0	0	110.9	V649 F650 G651 Q681	V649-G683 PolarHBondContact O-N 3.35Å; F650-G683 WeakPolarHBondContact CA-O 3.23Å; G651-G683 PolarHBondContact N-O 2.75Å; Q681-G683 PolarHBondContact O-N 3.26Å; Q681-G683 VanDerWaalsContact O-N 3.15Å
684	Q	92.8	Very high	80.9	Confident	78 Å²	78	38.6 Å²	38.6	36%	0.364	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	127.5	176.7	-62.4	-178	-99.5	0	0	109.7	G651 F660 C661 L682	G651-Q684 WeakPolarHBondContact O-CA 3.48Å; F660-Q684 HydrophobicContact CE1-CB 4.01Å; F660-Q684 VanDerWaalsContact CE1-NE2 3.28Å; F660-Q684 HydrophobicContact CZ-CB 4.07Å; C661-Q684 HydrophobicContact CB-CG 4.37Å; L682-Q684 HydrophobicContact CD2-CG 4.36Å; L682-Q684 HydrophobicContact CG-CG 4.16Å
685	G	87.6	Confident	81.6	Confident	0 Å²	0	38.6 Å²	38.6	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	115	177.9	0	0	0	0	0	112.2	G651 G653 Q691	G651-G685 PolarHBondContact O-N 3.35Å; G653-G685 PolarHBondContact N-O 2.64Å; G653-G685 VanDerWaalsContact O-O 3.09Å; G685-Q691 PolarHBondContact O-NE2 3.07Å
686	D	84.2	Confident	82	Confident	9 Å²	9	41.4 Å²	41.4	5%	0.048	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	118	179.3	-176.3	14.9	0	0	0	111.4	G653 S654 R655 F660 L688 C689 Q691 S1177	G653-D686 WeakPolarHBondContact O-CA 3.29Å; S654-D686 WeakPolarHBondContact CA-OD1 3.29Å; R655-D686 VanDerWaalsContact CD-OD2 3.29Å; R655-D686 WeakPolarHBondContact CD-OD2 3.41Å; R655-D686 HydrophobicContact CG-CB 4.4Å; R655-D686 WeakPolarHBondContact CG-OD2 3.43Å; R655-D686 PolarHBondContact N-OD1 2.81Å; R655-D686 IonicContact NE-OD2 3.96Å; F660-D686 HydrophobicContact CE2-CB 3.97Å; F660-D686 HydrophobicContact CZ-CB 3.96Å; D686-L688 PolarHBondContact O-N 3.11Å; D686-L688 VanDerWaalsContact O-N 3.15Å; D686-L688 PolarHBondContact OD1-N 3.26Å; D686-C689 CarbonylContact O-C 3.53Å; D686-C689 PolarHBondContact O-N 2.56Å; D686-Q691 WeakPolarHBondContact O-CB 3.25Å; D686-Q691 PolarHBondContact O-N 3.33Å; D686-S1177 PolarHBondContact OD2-OG 3.25Å
687	E	78.7	Confident	82.1	Confident	84 Å²	84	43.6 Å²	43.6	39%	0.393	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.9	-27.9	178.9	179.4	162.7	-118.6	0	0	113.1	R530 G653 C689	R530-E687 IonicContact CZ-OE1 2.74Å; R530-E687 IonicContact NH1-OE1 2.98Å; R530-E687 PolarHBondContact NH1-OE1 2.9Å; G653-E687 PolarHBondContact O-N 3.02Å; E687-C689 VanDerWaalsContact C-N 3.34Å
688	L	71.4	Confident	82.6	Confident	10 Å²	10	40.2 Å²	40.2	5%	0.052	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76	-22.3	177.7	-56	177.8	0	0	0	113.1	A656 D686 W905 L1162 T1170 I1173	A656-L688 HydrophobicContact CB-CD1 4.25Å; D686-L688 PolarHBondContact O-N 3.11Å; D686-L688 VanDerWaalsContact O-N 3.15Å; D686-L688 PolarHBondContact OD1-N 3.26Å; L688-W905 HydrophobicContact CD2-CH2 4.45Å; L688-W905 HydrophobicContact CD2-CZ2 4.28Å; L688-W905 PolarHBondContact O-NE1 3.46Å; L688-L1162 HydrophobicContact CD2-CD1 4.49Å; L688-T1170 HydrophobicContact CD2-CG2 4.41Å; L688-I1173 HydrophobicContact CD1-CB 4.15Å; L688-I1173 HydrophobicContact CD1-CD1 4.22Å; L688-I1173 HydrophobicContact CD1-CG2 3.55Å
689	C	71.3	Confident	82.5	Confident	9 Å²	9	37.5 Å²	37.5	6%	0.061	20%	0.201	C	C	.	.	B	Isolated β-bridge	trans	-156.3	100.6	-169	-170.4	0	0	0	0	111.6	D686 E687 Q691	D686-C689 CarbonylContact O-C 3.53Å; D686-C689 PolarHBondContact O-N 2.56Å; E687-C689 VanDerWaalsContact C-N 3.34Å; C689-Q691 PolarHBondContact O-N 3.13Å
690	G	67.5	Low	82.4	Confident	15 Å²	15	40.7 Å²	40.7	16%	0.155	22%	0.215	C	C	.	.	B	Isolated β-bridge	trans	72.9	15.6	163.1	0	0	0	0	0	117.6	E692 E693 A694	G690-E692 PolarHBondContact O-N 3.21Å; G690-E693 WeakPolarHBondContact O-CB 3.29Å; G690-E693 PolarHBondContact O-N 2.65Å; G690-A694 PolarHBondContact O-N 2.92Å
691	Q	79.4	Confident	82.2	Confident	8 Å²	8	40.3 Å²	40.3	4%	0.037	22%	0.219	C	C	.	.	H	α-helix	trans	-45.4	-42	-178	-175.4	170.6	95.6	0	0	115.2	Y534 G653 G685 D686 C689 F695	Y534-Q691 HydrophobicContact CE2-CG 4.21Å; G653-Q691 PolarHBondContact O-NE2 3.44Å; G685-Q691 PolarHBondContact O-NE2 3.07Å; D686-Q691 WeakPolarHBondContact O-CB 3.25Å; D686-Q691 PolarHBondContact O-N 3.33Å; C689-Q691 PolarHBondContact O-N 3.13Å; Q691-F695 PolarHBondContact O-N 2.94Å; Q691-F695 VanDerWaalsContact O-N 3.11Å
692	E	74.2	Confident	82.3	Confident	40 Å²	40	32.6 Å²	32.6	19%	0.187	18%	0.183	C	C	.	.	H	α-helix	trans	-75.2	-34	-178	-161.8	-171.3	130.8	0	0	112.7	Y534 G690 F695 R696	Y534-E692 HydrophobicContact CE1-CG 4.16Å; Y534-E692 WeakPolarHBondContact OH-CA 3.37Å; Y534-E692 WeakPolarHBondContact OH-CB 3.3Å; G690-E692 PolarHBondContact O-N 3.21Å; E692-F695 PolarHBondContact O-N 2.84Å; E692-R696 VanDerWaalsContact O-CG 3.24Å; E692-R696 WeakPolarHBondContact O-CG 3.38Å; E692-R696 PolarHBondContact O-N 3.39Å; E692-R696 IonicContact OE1-CZ 3.79Å; E692-R696 IonicContact OE1-NE 3.24Å; E692-R696 PolarHBondContact OE1-NE 3.32Å; E692-R696 IonicContact OE1-NH2 2.68Å; E692-R696 PolarHBondContact OE1-NH2 3.09Å
693	E	72.9	Confident	82	Confident	93 Å²	93	31.6 Å²	31.6	44%	0.435	18%	0.177	S	C	.	.	H	α-helix	trans	-66.6	-46.8	174.8	-176.9	-176.1	-166.4	0	0	110.5	G690 F695 R696 G697 P897	G690-E693 WeakPolarHBondContact O-CB 3.29Å; G690-E693 PolarHBondContact O-N 2.65Å; E693-F695 VanDerWaalsContact C-N 3.27Å; E693-F695 PolarHBondContact O-N 2.77Å; E693-R696 PolarHBondContact O-N 3.42Å; E693-R696 VanDerWaalsContact O-N 3.14Å; E693-G697 PolarHBondContact O-N 2.82Å; E693-P897 WeakPolarHBondContact OE1-CG 3.25Å; E693-P897 WeakPolarHBondContact OE2-CB 3.18Å; E693-P897 VanDerWaalsContact OE2-CG 3.27Å; E693-P897 WeakPolarHBondContact OE2-CG 3.42Å
694	A	82.2	Confident	81.5	Confident	38 Å²	38	35.4 Å²	35.4	31%	0.314	19%	0.192	S	C	.	.	H	α-helix	trans	-56.5	-41.8	174	0	0	0	0	0	111.8	F650 G690 W698	F650-A694 HydrophobicContact CE2-CB 4.42Å; F650-A694 HydrophobicContact CZ-CB 4.37Å; G690-A694 PolarHBondContact O-N 2.92Å; A694-W698 VanDerWaalsContact O-CB 3.24Å; A694-W698 WeakPolarHBondContact O-CB 3.27Å; A694-W698 PolarHBondContact O-N 3.24Å; A694-W698 VanDerWaalsContact O-N 3.08Å
695	F	86.1	Confident	81	Confident	0 Å²	0	32.6 Å²	32.6	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-64	-47.4	173.7	173.3	-111.2	0	0	0	112.5	Y534 Q537 L538 F650 Q691 E692 E693 W698 A699	Y534-F695 AromaticContact CD1-CD1 3.74Å; Y534-F695 HydrophobicContact CD1-CD1 3.74Å; Y534-F695 AromaticContact CD1-CE1 3.95Å; Y534-F695 HydrophobicContact CD1-CE1 3.95Å; Y534-F695 HydrophobicContact CD1-CG 4.28Å; Y534-F695 HydrophobicContact CD2-CB 3.87Å; Y534-F695 AromaticContact CD2-CD1 3.91Å; Y534-F695 HydrophobicContact CD2-CD1 3.91Å; Y534-F695 AromaticContact CD2-CD2 3.89Å; Y534-F695 HydrophobicContact CD2-CD2 3.89Å; Y534-F695 HydrophobicContact CD2-CE2 4.49Å; Y534-F695 AromaticContact CD2-CG 3.57Å; Y534-F695 HydrophobicContact CD2-CG 3.57Å; Y534-F695 HydrophobicContact CE1-CD1 4.13Å; Y534-F695 HydrophobicContact CE2-CB 3.81Å; Y534-F695 HydrophobicContact CE2-CD1 4.3Å; Y534-F695 AromaticContact CE2-CG 3.99Å; Y534-F695 HydrophobicContact CE2-CG 3.99Å; Y534-F695 HydrophobicContact CG-CB 4.48Å; Y534-F695 AromaticContact CG-CD1 3.64Å; Y534-F695 HydrophobicContact CG-CD1 3.64Å; Y534-F695 HydrophobicContact CG-CD2 4.06Å; Y534-F695 AromaticContact CG-CE1 3.85Å; Y534-F695 HydrophobicContact CG-CE1 3.85Å; Y534-F695 HydrophobicContact CG-CE2 4.25Å; Y534-F695 AromaticContact CG-CG 3.76Å; Y534-F695 HydrophobicContact CG-CG 3.76Å; Y534-F695 HydrophobicContact CG-CZ 4.16Å; Y534-F695 VanDerWaalsContact O-CZ 3.26Å; Y534-F695 WeakPolarHBondContact O-CZ 3.45Å; Q537-F695 HydrophobicContact CB-CE1 4.11Å; Q537-F695 HydrophobicContact CB-CZ 4.36Å; L538-F695 HydrophobicContact CB-CZ 4.37Å; F650-F695 AromaticContact CD1-CD2 3.93Å; F650-F695 HydrophobicContact CD1-CD2 3.93Å; F650-F695 HydrophobicContact CD2-CD2 4.47Å; F650-F695 HydrophobicContact CE1-CB 3.81Å; F650-F695 HydrophobicContact CE1-CD2 4.04Å; F650-F695 HydrophobicContact CE1-CG 4.35Å; F650-F695 HydrophobicContact CE2-CB 4.16Å; F650-F695 HydrophobicContact CG-CD2 4.16Å; F650-F695 VanDerWaalsContact CZ-CA 3.46Å; F650-F695 HydrophobicContact CZ-CB 3.6Å; F650-F695 HydrophobicContact CZ-CD2 4.38Å; F650-F695 HydrophobicContact CZ-CG 4.5Å; Q691-F695 PolarHBondContact O-N 2.94Å; Q691-F695 VanDerWaalsContact O-N 3.11Å; E692-F695 PolarHBondContact O-N 2.84Å; E693-F695 VanDerWaalsContact C-N 3.27Å; E693-F695 PolarHBondContact O-N 2.77Å; F695-W698 HydrophobicContact CD2-CE3 4.26Å; F695-W698 HydrophobicContact CE2-CE3 4.26Å; F695-W698 HydrophobicContact CE2-CZ3 4.2Å; F695-W698 PolarHBondContact O-N 3.42Å; F695-A699 HydrophobicContact CD2-CB 4.48Å; F695-A699 HydrophobicContact CE2-CB 4.02Å; F695-A699 HydrophobicContact CZ-CB 4.03Å; F695-A699 WeakPolarHBondContact O-CB 3.33Å; F695-A699 PolarHBondContact O-N 3.23Å
696	R	78.5	Confident	80.8	Confident	68 Å²	68	32.6 Å²	32.6	26%	0.257	18%	0.183	S	C	.	.	H	α-helix	trans	-59.9	-48.4	-179.7	-73.8	163.9	177.4	-97.8	-0.8	111.7	E692 E693 A699 Q700 F724	E692-R696 VanDerWaalsContact O-CG 3.24Å; E692-R696 WeakPolarHBondContact O-CG 3.38Å; E692-R696 PolarHBondContact O-N 3.39Å; E692-R696 IonicContact OE1-CZ 3.79Å; E692-R696 IonicContact OE1-NE 3.24Å; E692-R696 PolarHBondContact OE1-NE 3.32Å; E692-R696 IonicContact OE1-NH2 2.68Å; E692-R696 PolarHBondContact OE1-NH2 3.09Å; E693-R696 PolarHBondContact O-N 3.42Å; E693-R696 VanDerWaalsContact O-N 3.14Å; R696-A699 PolarHBondContact O-N 2.83Å; R696-Q700 PolarHBondContact O-N 2.84Å; R696-Q700 VanDerWaalsContact O-N 3.09Å; R696-F724 HydrophobicContact CB-CD1 4.48Å; R696-F724 HydrophobicContact CB-CE1 4.43Å; R696-F724 HydrophobicContact CG-CD1 4.41Å; R696-F724 HydrophobicContact CG-CE1 4.33Å
697	G	79.9	Confident	80.5	Confident	46 Å²	46	32.2 Å²	32.2	47%	0.474	18%	0.181	S	C	.	.	H	α-helix	trans	-62.1	-47.5	178.2	0	0	0	0	0	112.5	E693 A701	E693-G697 PolarHBondContact O-N 2.82Å; G697-A701 PolarHBondContact O-N 2.84Å; G697-A701 VanDerWaalsContact O-N 3.15Å
698	W	92.9	Very high	80.2	Confident	18 Å²	18	32.9 Å²	32.9	7%	0.068	18%	0.184	C	C	.	.	H	α-helix	trans	-62	-44	175.8	174.9	91.8	0	0	0	112.4	L538 L568 V570 C648 V649 F650 L680 Q681 A694 F695 Q700 A701 A702	L538-W698 HydrophobicContact CD1-CZ3 4Å; L538-W698 HydrophobicContact CD2-CH2 4.05Å; L538-W698 HydrophobicContact CD2-CZ3 3.87Å; L568-W698 HydrophobicContact CD2-CH2 4.41Å; V570-W698 HydrophobicContact CG2-CZ3 4.49Å; C648-W698 HydrophobicContact CB-CH2 4.28Å; C648-W698 HydrophobicContact CB-CZ2 3.62Å; V649-W698 WeakPolarHBondContact O-CZ2 3.48Å; V649-W698 PolarHBondContact O-NE1 3.45Å; V649-W698 VanDerWaalsContact O-NE1 3.15Å; F650-W698 HydrophobicContact CB-CD2 3.85Å; F650-W698 HydrophobicContact CB-CE3 3.77Å; F650-W698 HydrophobicContact CB-CH2 3.74Å; F650-W698 HydrophobicContact CB-CZ2 3.79Å; F650-W698 HydrophobicContact CB-CZ3 3.73Å; F650-W698 HydrophobicContact CD2-CB 3.89Å; F650-W698 AromaticContact CD2-CD2 3.66Å; F650-W698 HydrophobicContact CD2-CD2 3.66Å; F650-W698 AromaticContact CD2-CE3 3.89Å; F650-W698 HydrophobicContact CD2-CE3 3.89Å; F650-W698 AromaticContact CD2-CG 3.66Å; F650-W698 HydrophobicContact CD2-CG 3.66Å; F650-W698 HydrophobicContact CE2-CB 4.12Å; F650-W698 HydrophobicContact CE2-CG 4.37Å; F650-W698 HydrophobicContact CG-CD2 4.14Å; F650-W698 HydrophobicContact CG-CE3 4.04Å; F650-W698 HydrophobicContact CG-CZ3 4.41Å; L680-W698 HydrophobicContact CD2-CG 4.27Å; Q681-W698 PolarHBondContact O-NE1 2.72Å; A694-W698 VanDerWaalsContact O-CB 3.24Å; A694-W698 WeakPolarHBondContact O-CB 3.27Å; A694-W698 PolarHBondContact O-N 3.24Å; A694-W698 VanDerWaalsContact O-N 3.08Å; F695-W698 HydrophobicContact CD2-CE3 4.26Å; F695-W698 HydrophobicContact CE2-CE3 4.26Å; F695-W698 HydrophobicContact CE2-CZ3 4.2Å; F695-W698 PolarHBondContact O-N 3.42Å; W698-Q700 PolarHBondContact O-N 2.97Å; W698-A701 PolarHBondContact O-N 2.82Å; W698-A702 HydrophobicContact CD2-CB 4.42Å; W698-A702 HydrophobicContact CH2-CB 4.36Å; W698-A702 HydrophobicContact CZ2-CB 4.27Å; W698-A702 HydrophobicContact CZ3-CB 4.47Å; W698-A702 VanDerWaalsContact O-CB 3.3Å; W698-A702 WeakPolarHBondContact O-CB 3.31Å; W698-A702 PolarHBondContact O-N 2.91Å
699	A	86.6	Confident	80.3	Confident	0 Å²	0	33.9 Å²	33.9	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-66.6	-36.5	-176.9	0	0	0	0	0	112.4	L538 L541 F695 R696 F703 F724	L538-A699 HydrophobicContact CD1-CB 3.72Å; L541-A699 HydrophobicContact CD2-CB 4.4Å; L541-A699 WeakPolarHBondContact CD2-O 3.47Å; F695-A699 HydrophobicContact CD2-CB 4.48Å; F695-A699 HydrophobicContact CE2-CB 4.02Å; F695-A699 HydrophobicContact CZ-CB 4.03Å; F695-A699 WeakPolarHBondContact O-CB 3.33Å; F695-A699 PolarHBondContact O-N 3.23Å; R696-A699 PolarHBondContact O-N 2.83Å; A699-F703 WeakPolarHBondContact O-CB 3.32Å; A699-F703 PolarHBondContact O-N 2.89Å; A699-F703 VanDerWaalsContact O-N 3.08Å; A699-F724 HydrophobicContact CB-CE2 4.44Å; A699-F724 HydrophobicContact CB-CZ 3.74Å
700	Q	83.2	Confident	80.3	Confident	96 Å²	96	35.5 Å²	35.5	45%	0.449	20%	0.196	S	C	.	.	H	α-helix	trans	-63.6	-47.9	171.8	-177.5	174.6	-39.4	0	0	111.5	R696 W698 F703 Q704 F724	R696-Q700 PolarHBondContact O-N 2.84Å; R696-Q700 VanDerWaalsContact O-N 3.09Å; W698-Q700 PolarHBondContact O-N 2.97Å; Q700-F703 PolarHBondContact O-N 3.26Å; Q700-Q704 PolarHBondContact O-N 2.92Å; Q700-F724 HydrophobicContact CB-CD2 3.83Å; Q700-F724 HydrophobicContact CB-CE2 3.83Å; Q700-F724 HydrophobicContact CG-CD2 4.25Å
701	A	84.8	Confident	80.1	Confident	37 Å²	37	37.8 Å²	37.8	31%	0.306	21%	0.21	S	C	.	.	H	α-helix	trans	-64.1	-40.5	178.3	0	0	0	0	0	112.2	L680 G697 W698 F703 Q704 A705	L680-A701 HydrophobicContact CD1-CB 4.2Å; L680-A701 HydrophobicContact CD2-CB 3.6Å; G697-A701 PolarHBondContact O-N 2.84Å; G697-A701 VanDerWaalsContact O-N 3.15Å; W698-A701 PolarHBondContact O-N 2.82Å; A701-F703 PolarHBondContact O-N 2.93Å; A701-Q704 PolarHBondContact O-N 2.83Å; A701-A705 WeakPolarHBondContact O-CB 3.31Å; A701-A705 PolarHBondContact O-N 3.45Å
702	A	89.5	Confident	79.4	Confident	0 Å²	0	39.2 Å²	39.2	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-65.5	-39.9	179.2	0	0	0	0	0	111.6	L568 C648 L680 W698 A706	L568-A702 HydrophobicContact CD2-CB 4.3Å; C648-A702 HydrophobicContact CB-CB 4.36Å; L680-A702 HydrophobicContact CD2-CB 3.97Å; W698-A702 HydrophobicContact CD2-CB 4.42Å; W698-A702 HydrophobicContact CH2-CB 4.36Å; W698-A702 HydrophobicContact CZ2-CB 4.27Å; W698-A702 HydrophobicContact CZ3-CB 4.47Å; W698-A702 VanDerWaalsContact O-CB 3.3Å; W698-A702 WeakPolarHBondContact O-CB 3.31Å; W698-A702 PolarHBondContact O-N 2.91Å; A702-A706 VanDerWaalsContact O-CB 3.29Å; A702-A706 WeakPolarHBondContact O-CB 3.26Å; A702-A706 PolarHBondContact O-N 2.86Å
703	F	86.7	Confident	78.5	Confident	4 Å²	4	39.2 Å²	39.2	2%	0.018	23%	0.23	C	C	.	.	H	α-helix	trans	-66.8	-39.4	173.4	-179	-87.2	0	0	0	112.4	L541 F542 K544 A545 F546 A699 Q700 A701 C707 A720	L541-F703 HydrophobicContact CD1-CB 4.42Å; L541-F703 HydrophobicContact CD1-CD1 4.45Å; L541-F703 HydrophobicContact CD1-CD2 4.06Å; L541-F703 HydrophobicContact CD1-CE2 4.42Å; L541-F703 HydrophobicContact CD1-CG 4.05Å; L541-F703 HydrophobicContact CD2-CB 3.62Å; L541-F703 HydrophobicContact CD2-CD2 4.19Å; L541-F703 HydrophobicContact CD2-CG 4.08Å; L541-F703 HydrophobicContact CG-CB 4.02Å; L541-F703 HydrophobicContact CG-CD2 3.64Å; L541-F703 HydrophobicContact CG-CE2 4.28Å; L541-F703 HydrophobicContact CG-CG 3.89Å; L541-F703 WeakPolarHBondContact O-CE2 3.38Å; F542-F703 HydrophobicContact CD1-CD2 4.36Å; F542-F703 AromaticContact CD2-CD2 3.92Å; F542-F703 HydrophobicContact CD2-CD2 3.92Å; F542-F703 HydrophobicContact CE1-CD2 4.37Å; F542-F703 HydrophobicContact CE2-CB 3.82Å; F542-F703 AromaticContact CE2-CD2 3.96Å; F542-F703 HydrophobicContact CE2-CD2 3.96Å; F542-F703 HydrophobicContact CE2-CG 4.41Å; F542-F703 HydrophobicContact CG-CD2 4.13Å; F542-F703 HydrophobicContact CZ-CB 4Å; F542-F703 HydrophobicContact CZ-CD2 4.18Å; K544-F703 HydrophobicContact CB-CZ 4.34Å; A545-F703 HydrophobicContact CB-CE2 3.77Å; A545-F703 HydrophobicContact CB-CZ 3.62Å; F546-F703 HydrophobicContact CD2-CE2 4.29Å; F546-F703 HydrophobicContact CE2-CE2 4.33Å; A699-F703 WeakPolarHBondContact O-CB 3.32Å; A699-F703 PolarHBondContact O-N 2.89Å; A699-F703 VanDerWaalsContact O-N 3.08Å; Q700-F703 PolarHBondContact O-N 3.26Å; A701-F703 PolarHBondContact O-N 2.93Å; F703-C707 WeakPolarHBondContact CE1-SG 3.48Å; F703-C707 WeakPolarHBondContact CZ-SG 3.45Å; F703-C707 WeakPolarHBondContact O-CB 3.41Å; F703-C707 PolarHBondContact O-N 2.9Å; F703-C707 PolarHBondContact O-SG 2.88Å; F703-C707 VanDerWaalsContact O-SG 3.41Å; F703-A720 HydrophobicContact CD1-CB 3.72Å; F703-A720 HydrophobicContact CE1-CB 3.5Å; F703-A720 VanDerWaalsContact CE1-CB 3.5Å; F703-A720 HydrophobicContact CZ-CB 4.44Å
704	Q	81.3	Confident	77.4	Confident	90 Å²	90	39.8 Å²	39.8	42%	0.421	23%	0.232	S	C	.	.	H	α-helix	trans	-63.8	-51	175.6	-178.9	172.3	-14.1	0	0	111.4	Q700 A701 A706 C707 E708	Q700-Q704 PolarHBondContact O-N 2.92Å; A701-Q704 PolarHBondContact O-N 2.83Å; Q704-A706 VanDerWaalsContact C-N 3.29Å; Q704-A706 PolarHBondContact O-N 3Å; Q704-C707 PolarHBondContact O-N 2.99Å; Q704-C707 VanDerWaalsContact O-N 3.16Å; Q704-E708 HydrophobicContact CG-CG 4.45Å; Q704-E708 VanDerWaalsContact CG-OE1 3.24Å; Q704-E708 WeakPolarHBondContact CG-OE1 3.44Å; Q704-E708 PolarHBondContact NE2-OE1 3.31Å; Q704-E708 WeakPolarHBondContact O-CG 3.39Å; Q704-E708 PolarHBondContact O-N 2.78Å
705	A	82.1	Confident	76.1	Confident	20 Å²	20	44.6 Å²	44.6	17%	0.165	25%	0.253	C	S	.	.	H	α-helix	trans	-58.8	-39.4	178.5	0	0	0	0	0	112.1	L679 A701 T709	L679-A705 HydrophobicContact CB-CB 4.28Å; A701-A705 WeakPolarHBondContact O-CB 3.31Å; A701-A705 PolarHBondContact O-N 3.45Å; A705-T709 VanDerWaalsContact O-CB 3.27Å; A705-T709 WeakPolarHBondContact O-CB 3.45Å; A705-T709 PolarHBondContact O-N 3.4Å; A705-T709 PolarHBondContact O-OG1 2.91Å
706	A	83.4	Confident	74.4	Confident	0 Å²	0	45 Å²	45	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-65.3	-49.4	173.3	0	0	0	0	0	112.1	F542 F546 L566 L679 A702 Q704 E708 T709 F710	F542-A706 HydrophobicContact CE1-CB 3.74Å; F542-A706 HydrophobicContact CZ-CB 4.13Å; F546-A706 HydrophobicContact CE1-CB 4.44Å; F546-A706 HydrophobicContact CE2-CB 3.99Å; F546-A706 HydrophobicContact CZ-CB 3.64Å; L566-A706 HydrophobicContact CD2-CB 4Å; L679-A706 HydrophobicContact CD1-CB 4.35Å; A702-A706 VanDerWaalsContact O-CB 3.29Å; A702-A706 WeakPolarHBondContact O-CB 3.26Å; A702-A706 PolarHBondContact O-N 2.86Å; Q704-A706 VanDerWaalsContact C-N 3.29Å; Q704-A706 PolarHBondContact O-N 3Å; A706-E708 VanDerWaalsContact C-N 3.28Å; A706-E708 PolarHBondContact O-N 3.2Å; A706-T709 PolarHBondContact O-N 2.68Å; A706-F710 WeakPolarHBondContact O-CB 3.39Å; A706-F710 WeakPolarHBondContact O-CD2 3.3Å; A706-F710 PolarHBondContact O-N 3.49Å
707	C	77.6	Confident	73	Confident	1 Å²	1	44.5 Å²	44.5	1%	0.007	26%	0.256	C	S	.	.	H	α-helix	trans	-59.5	-37.8	178.4	-79.8	0	0	0	0	112.7	F703 Q704 C711 V712	F703-C707 WeakPolarHBondContact CE1-SG 3.48Å; F703-C707 WeakPolarHBondContact CZ-SG 3.45Å; F703-C707 WeakPolarHBondContact O-CB 3.41Å; F703-C707 PolarHBondContact O-N 2.9Å; F703-C707 PolarHBondContact O-SG 2.88Å; F703-C707 VanDerWaalsContact O-SG 3.41Å; Q704-C707 PolarHBondContact O-N 2.99Å; Q704-C707 VanDerWaalsContact O-N 3.16Å; C707-C711 CarbonylContact O-C 3.51Å; C707-C711 WeakPolarHBondContact O-CA 3.5Å; C707-C711 PolarHBondContact O-N 3.34Å; C707-V712 HydrophobicContact CB-CB 4.49Å; C707-V712 PolarHBondContact O-N 3.43Å
708	E	72.8	Confident	71.7	Confident	97 Å²	97	45.4 Å²	45.4	45%	0.453	26%	0.259	S	S	.	.	H	α-helix	trans	-71.5	-43.3	177	-71.5	170.3	-175.7	0	0	111.7	Q704 A706 C711	Q704-E708 HydrophobicContact CG-CG 4.45Å; Q704-E708 VanDerWaalsContact CG-OE1 3.24Å; Q704-E708 WeakPolarHBondContact CG-OE1 3.44Å; Q704-E708 PolarHBondContact NE2-OE1 3.31Å; Q704-E708 WeakPolarHBondContact O-CG 3.39Å; Q704-E708 PolarHBondContact O-N 2.78Å; A706-E708 VanDerWaalsContact C-N 3.28Å; A706-E708 PolarHBondContact O-N 3.2Å; E708-C711 PolarHBondContact O-N 3.3Å
709	T	73.8	Confident	69.8	Low	32 Å²	32	46.1 Å²	46.1	20%	0.196	27%	0.269	C	S	.	.	H	α-helix	trans	-60.2	-50.1	175.4	-61.3	0	0	0	0	112.1	R225 R646 L679 A705 A706 C711	R225-T709 PolarHBondContact NH1-O 3.25Å; R225-T709 PolarHBondContact NH2-O 2.99Å; R646-T709 HydrophobicContact CG-CG2 4.35Å; L679-T709 HydrophobicContact CD1-CG2 4.47Å; L679-T709 HydrophobicContact CD2-CG2 4Å; A705-T709 VanDerWaalsContact O-CB 3.27Å; A705-T709 WeakPolarHBondContact O-CB 3.45Å; A705-T709 PolarHBondContact O-N 3.4Å; A705-T709 PolarHBondContact O-OG1 2.91Å; A706-T709 PolarHBondContact O-N 2.68Å; T709-C711 VanDerWaalsContact C-N 3.31Å; T709-C711 PolarHBondContact O-N 2.87Å
710	F	71.4	Confident	67.9	Low	42 Å²	42	46.8 Å²	46.8	18%	0.184	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.3	7.5	-176.6	-67.1	-75.9	0	0	0	113.8	V518 F546 T565 L566 R646 L679 A706 V712	V518-F710 HydrophobicContact CG1-CD1 3.84Å; V518-F710 HydrophobicContact CG1-CE1 3.98Å; V518-F710 HydrophobicContact CG1-CG 4.2Å; V518-F710 HydrophobicContact CG1-CZ 4.46Å; V518-F710 HydrophobicContact CG2-CB 4.37Å; V518-F710 HydrophobicContact CG2-CD1 4.17Å; V518-F710 HydrophobicContact CG2-CG 4.47Å; F546-F710 HydrophobicContact CE1-CB 4.03Å; F546-F710 AromaticContact CE1-CD2 3.81Å; F546-F710 HydrophobicContact CE1-CD2 3.81Å; F546-F710 HydrophobicContact CE1-CG 4.08Å; F546-F710 HydrophobicContact CZ-CB 4.36Å; F546-F710 HydrophobicContact CZ-CD2 4.24Å; T565-F710 WeakPolarHBondContact O-CZ 3.41Å; L566-F710 HydrophobicContact CB-CE2 3.94Å; L566-F710 HydrophobicContact CB-CZ 4.01Å; L566-F710 HydrophobicContact CD1-CE2 4.23Å; L566-F710 HydrophobicContact CD2-CD2 4.25Å; L566-F710 HydrophobicContact CD2-CE2 3.88Å; L566-F710 HydrophobicContact CG-CE2 4.24Å; R646-F710 HydrophobicContact CB-CE2 4.17Å; R646-F710 HydrophobicContact CB-CZ 3.97Å; R646-F710 HydrophobicContact CG-CE2 4.15Å; R646-F710 HydrophobicContact CG-CZ 3.65Å; L679-F710 HydrophobicContact CD1-CE2 4.41Å; A706-F710 WeakPolarHBondContact O-CB 3.39Å; A706-F710 WeakPolarHBondContact O-CD2 3.3Å; A706-F710 PolarHBondContact O-N 3.49Å; F710-V712 VanDerWaalsContact C-N 3.27Å; F710-V712 HydrophobicContact CB-CG2 4.21Å; F710-V712 PolarHBondContact O-N 2.85Å
711	C	63.2	Low	66.4	Low	64 Å²	64	51.2 Å²	51.2	43%	0.432	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.4	33	174.7	-51	0	0	0	0	114.9	N220 R225 C707 E708 T709	N220-C711 PolarHBondContact OD1-SG 3.02Å; N220-C711 VanDerWaalsContact OD1-SG 3.35Å; R225-C711 PolarHBondContact NH2-SG 3.37Å; C707-C711 CarbonylContact O-C 3.51Å; C707-C711 WeakPolarHBondContact O-CA 3.5Å; C707-C711 PolarHBondContact O-N 3.34Å; E708-C711 PolarHBondContact O-N 3.3Å; T709-C711 VanDerWaalsContact C-N 3.31Å; T709-C711 PolarHBondContact O-N 2.87Å
712	V	65.4	Low	64.7	Low	38 Å²	38	52.7 Å²	52.7	23%	0.23	29%	0.289	C	S	.	.			trans	-73.5	137.7	178.7	-164.6	0	0	0	0	109.7	A545 F546 C707 F710 A716	A545-V712 HydrophobicContact CB-CB 4.38Å; A545-V712 HydrophobicContact CB-CG1 3.85Å; F546-V712 HydrophobicContact CE1-CG2 4.4Å; F546-V712 HydrophobicContact CZ-CG2 4.09Å; C707-V712 HydrophobicContact CB-CB 4.49Å; C707-V712 PolarHBondContact O-N 3.43Å; F710-V712 VanDerWaalsContact C-N 3.27Å; F710-V712 HydrophobicContact CB-CG2 4.21Å; F710-V712 PolarHBondContact O-N 2.85Å; V712-A716 HydrophobicContact CG1-CB 4.06Å
713	G	54.7	Low	62.9	Low	40 Å²	40	55.7 Å²	55.7	41%	0.412	31%	0.305	S	S	.	.			trans	-61.8	161.2	-165.2	0	0	0	0	0	116.1	D715 A716	G713-D715 PolarHBondContact O-N 2.84Å; G713-D715 VanDerWaalsContact O-N 3.12Å; G713-A716 VanDerWaalsContact O-CB 3.29Å; G713-A716 WeakPolarHBondContact O-CB 3.29Å; G713-A716 PolarHBondContact O-N 3.28Å
714	E	48.9	Very low	60.9	Low	104 Å²	104	57.5 Å²	57.5	49%	0.486	31%	0.313	S	S	.	.	H	α-helix	trans	-58.6	-27.3	-176	-61.5	-63.5	134.1	0	0	113.4	R221 A716 K717 A718	R221-E714 IonicContact NH2-OE1 3.64Å; E714-A716 PolarHBondContact O-N 2.97Å; E714-K717 WeakPolarHBondContact O-CA 3.47Å; E714-K717 WeakPolarHBondContact O-CB 3.47Å; E714-K717 PolarHBondContact O-N 2.95Å; E714-K717 IonicContact OE1-NZ 2.84Å; E714-K717 PolarHBondContact OE1-NZ 3.48Å; E714-K717 WeakPolarHBondContact OE2-CD 3.45Å; E714-K717 IonicContact OE2-NZ 3.83Å; E714-K717 PolarHBondContact OE2-NZ 3.16Å; E714-A718 PolarHBondContact O-N 3.36Å
715	D	54.5	Low	59.1	Low	140 Å²	140	56 Å²	56	75%	0.749	31%	0.313	S	S	*	.	H	α-helix	trans	-55.6	-35.6	172.6	-55.9	-60.1	0	0	0	112.3	G713 A718 A719	G713-D715 PolarHBondContact O-N 2.84Å; G713-D715 VanDerWaalsContact O-N 3.12Å; D715-A718 PolarHBondContact O-N 3.24Å; D715-A719 VanDerWaalsContact O-CB 3.29Å; D715-A719 WeakPolarHBondContact O-CB 3.43Å; D715-A719 PolarHBondContact O-N 3.34Å
716	A	51.6	Low	57.1	Low	9 Å²	9	59.4 Å²	59.4	7%	0.074	33%	0.333	C	S	.	.	H	α-helix	trans	-68.9	-32.2	175.7	0	0	0	0	0	112.4	A545 V712 G713 E714 A719 A720	A545-A716 HydrophobicContact CB-CB 4.01Å; V712-A716 HydrophobicContact CG1-CB 4.06Å; G713-A716 VanDerWaalsContact O-CB 3.29Å; G713-A716 WeakPolarHBondContact O-CB 3.29Å; G713-A716 PolarHBondContact O-N 3.28Å; E714-A716 PolarHBondContact O-N 2.97Å; A716-A719 CarbonylContact O-C 3.48Å; A716-A719 PolarHBondContact O-N 2.98Å; A716-A720 WeakPolarHBondContact O-CB 3.38Å; A716-A720 PolarHBondContact O-N 3.46Å
717	K	49	Very low	55.1	Low	56 Å²	56	65.3 Å²	65.3	24%	0.243	36%	0.358	C	S	.	.	H	α-helix	trans	-73.9	-39.8	175.6	-63.5	178.2	-174.6	166.7	0	111.6	E714 A719 A720 R721	E714-K717 WeakPolarHBondContact O-CA 3.47Å; E714-K717 WeakPolarHBondContact O-CB 3.47Å; E714-K717 PolarHBondContact O-N 2.95Å; E714-K717 IonicContact OE1-NZ 2.84Å; E714-K717 PolarHBondContact OE1-NZ 3.48Å; E714-K717 WeakPolarHBondContact OE2-CD 3.45Å; E714-K717 IonicContact OE2-NZ 3.83Å; E714-K717 PolarHBondContact OE2-NZ 3.16Å; K717-A719 VanDerWaalsContact C-N 3.31Å; K717-A720 WeakPolarHBondContact O-CB 3.43Å; K717-A720 PolarHBondContact O-N 3.19Å; K717-R721 PolarHBondContact O-N 2.78Å
718	A	53.5	Low	53.8	Low	66 Å²	66	72.9 Å²	72.9	55%	0.545	39%	0.387	S	S	.	.	H	α-helix	trans	-59.7	-45.2	170.1	0	0	0	0	0	110.6	E714 D715 A720	E714-A718 PolarHBondContact O-N 3.36Å; D715-A718 PolarHBondContact O-N 3.24Å; A718-A720 VanDerWaalsContact C-N 3.33Å; A718-A720 PolarHBondContact O-N 3.02Å
719	A	51.1	Low	53.1	Low	33 Å²	33	71.6 Å²	71.6	27%	0.273	39%	0.389	S	S	.	.	H	α-helix	trans	-67.9	-26.6	175.2	0	0	0	0	0	113.5	K544 D715 A716 K717 D722	K544-A719 HydrophobicContact CD-CB 3.96Å; K544-A719 WeakPolarHBondContact CD-O 3.34Å; K544-A719 WeakPolarHBondContact CE-O 3.31Å; K544-A719 PolarHBondContact NZ-O 3.01Å; D715-A719 VanDerWaalsContact O-CB 3.29Å; D715-A719 WeakPolarHBondContact O-CB 3.43Å; D715-A719 PolarHBondContact O-N 3.34Å; A716-A719 CarbonylContact O-C 3.48Å; A716-A719 PolarHBondContact O-N 2.98Å; K717-A719 VanDerWaalsContact C-N 3.31Å; A719-D722 WeakPolarHBondContact O-CB 3.31Å; A719-D722 PolarHBondContact O-N 3.18Å
720	A	47.7	Very low	53.1	Low	14 Å²	14	70.7 Å²	70.7	12%	0.116	38%	0.382	C	S	.	.	H	α-helix	trans	-63.1	-47.1	178.8	0	0	0	0	0	112.1	F703 A716 K717 A718 D722 I723	F703-A720 HydrophobicContact CD1-CB 3.72Å; F703-A720 HydrophobicContact CE1-CB 3.5Å; F703-A720 VanDerWaalsContact CE1-CB 3.5Å; F703-A720 HydrophobicContact CZ-CB 4.44Å; A716-A720 WeakPolarHBondContact O-CB 3.38Å; A716-A720 PolarHBondContact O-N 3.46Å; K717-A720 WeakPolarHBondContact O-CB 3.43Å; K717-A720 PolarHBondContact O-N 3.19Å; A718-A720 VanDerWaalsContact C-N 3.33Å; A718-A720 PolarHBondContact O-N 3.02Å; A720-D722 PolarHBondContact O-N 2.81Å; A720-I723 PolarHBondContact O-N 2.99Å
721	R	50.9	Low	53.4	Low	188 Å²	188	74.2 Å²	74.2	71%	0.709	40%	0.397	S	S	*	.	H	α-helix	trans	-50.7	-42.3	174.9	-63.5	178.3	-179.6	-179.2	-0.2	110.2	K717 I723 F724 S725	K717-R721 PolarHBondContact O-N 2.78Å; R721-I723 PolarHBondContact O-N 2.98Å; R721-F724 PolarHBondContact O-N 2.74Å; R721-S725 VanDerWaalsContact O-CB 3.29Å; R721-S725 WeakPolarHBondContact O-CB 3.37Å; R721-S725 PolarHBondContact O-N 3.24Å; R721-S725 PolarHBondContact O-OG 3.3Å
722	D	50.7	Low	54.3	Low	68 Å²	68	75.9 Å²	75.9	36%	0.364	39%	0.394	S	S	.	.	H	α-helix	trans	-70.3	4.8	-178.3	-167.7	70.9	0	0	0	116.2	K544 A719 A720 K727	K544-D722 PolarHBondContact NZ-O 3.49Å; K544-D722 IonicContact NZ-OD2 2.72Å; A719-D722 WeakPolarHBondContact O-CB 3.31Å; A719-D722 PolarHBondContact O-N 3.18Å; A720-D722 PolarHBondContact O-N 2.81Å; D722-K727 WeakPolarHBondContact OD1-CE 3.43Å; D722-K727 IonicContact OD1-NZ 2.75Å; D722-K727 PolarHBondContact OD1-NZ 3.01Å; D722-K727 IonicContact OD2-NZ 3.72Å; D722-K727 PolarHBondContact OD2-NZ 2.9Å
723	I	49.8	Very low	55.2	Low	64 Å²	64	81 Å²	81	33%	0.328	42%	0.415	S	S	.	.	H	α-helix	trans	-105.6	-34.4	165.6	-103.8	169.8	0	0	0	113.3	R540 L541 K544 A720 R721	R540-I723 WeakPolarHBondContact O-CD1 3.48Å; L541-I723 HydrophobicContact CB-CD1 4.42Å; L541-I723 HydrophobicContact CB-CG2 4.33Å; L541-I723 HydrophobicContact CD1-CB 4.24Å; L541-I723 HydrophobicContact CD1-CD1 4.49Å; L541-I723 HydrophobicContact CD1-CG2 3.78Å; K544-I723 HydrophobicContact CD-CD1 3.89Å; K544-I723 HydrophobicContact CD-CG1 4.48Å; K544-I723 HydrophobicContact CG-CD1 4.44Å; A720-I723 PolarHBondContact O-N 2.99Å; R721-I723 PolarHBondContact O-N 2.98Å
724	F	45.8	Very low	56.6	Low	41 Å²	41	81.9 Å²	81.9	18%	0.18	41%	0.406	C	S	.	.	H	α-helix	trans	-95.1	-18.8	178.4	-65.8	-62.6	0	0	0	113.5	L541 R696 A699 Q700 R721	L541-F724 HydrophobicContact CD1-CE2 3.93Å; L541-F724 HydrophobicContact CD2-CE2 3.54Å; L541-F724 HydrophobicContact CD2-CZ 3.78Å; L541-F724 HydrophobicContact CG-CE2 4.32Å; R696-F724 HydrophobicContact CB-CD1 4.48Å; R696-F724 HydrophobicContact CB-CE1 4.43Å; R696-F724 HydrophobicContact CG-CD1 4.41Å; R696-F724 HydrophobicContact CG-CE1 4.33Å; A699-F724 HydrophobicContact CB-CE2 4.44Å; A699-F724 HydrophobicContact CB-CZ 3.74Å; Q700-F724 HydrophobicContact CB-CD2 3.83Å; Q700-F724 HydrophobicContact CB-CE2 3.83Å; Q700-F724 HydrophobicContact CG-CD2 4.25Å; R721-F724 PolarHBondContact O-N 2.74Å
725	S	43.3	Very low	58.6	Low	60 Å²	60	78.4 Å²	78.4	42%	0.42	39%	0.389	S	S	.	.	S	Bend	trans	-53.2	132.9	157.8	-71.1	0	0	0	0	109.3	R721 K727	R721-S725 VanDerWaalsContact O-CB 3.29Å; R721-S725 WeakPolarHBondContact O-CB 3.37Å; R721-S725 PolarHBondContact O-N 3.24Å; R721-S725 PolarHBondContact O-OG 3.3Å; S725-K727 VanDerWaalsContact C-N 3.29Å; S725-K727 PolarHBondContact O-N 3.03Å
726	P	40.4	Very low	60.3	Low	91 Å²	91	77 Å²	77	59%	0.591	37%	0.373	S	S	*	.			trans	-76.8	76.5	-168.7	31.8	-37.2	0	0	0	112.1	R728	P726-R728 PolarHBondContact O-N 3.03Å
727	K	40.6	Very low	62.3	Low	123 Å²	123	78.9 Å²	78.9	54%	0.535	38%	0.382	S	S	.	.			trans	-64.1	129.2	168	-75.8	-172.7	171	176.8	0	109.6	D722 S725 S729	D722-K727 WeakPolarHBondContact OD1-CE 3.43Å; D722-K727 IonicContact OD1-NZ 2.75Å; D722-K727 PolarHBondContact OD1-NZ 3.01Å; D722-K727 IonicContact OD2-NZ 3.72Å; D722-K727 PolarHBondContact OD2-NZ 2.9Å; S725-K727 VanDerWaalsContact C-N 3.29Å; S725-K727 PolarHBondContact O-N 3.03Å; K727-S729 PolarHBondContact O-N 3.31Å
728	R	50.6	Low	64.3	Low	160 Å²	160	77.1 Å²	77.1	60%	0.604	38%	0.376	S	S	*	.			trans	-57.6	87.9	163	-57.3	-178.1	-178.6	171.9	-2.8	107.7	P726 W730 T879	P726-R728 PolarHBondContact O-N 3.03Å; R728-W730 CarbonylContact C-O 3.58Å; R728-T879 HydrophobicContact CG-CG2 4.12Å
729	S	57.8	Low	66.1	Low	70 Å²	70	76.8 Å²	76.8	49%	0.49	37%	0.374	S	S	.	.			trans	-83.4	-34.5	-161.3	55.4	0	0	0	0	111.8	K727	K727-S729 PolarHBondContact O-N 3.31Å
730	W	74.3	Confident	68	Low	14 Å²	14	77.4 Å²	77.4	5%	0.053	37%	0.371	C	S	.	.			trans	-82.5	142.4	158.8	-165.8	90.7	0	0	0	109.8	R728 R732 Y735 L876 P924 P926 L927 T930 Q931	R728-W730 CarbonylContact C-O 3.58Å; W730-R732 VanDerWaalsContact CH2-CA 3.47Å; W730-R732 HydrophobicContact CH2-CB 3.8Å; W730-R732 HydrophobicContact CH2-CG 4.03Å; W730-R732 HydrophobicContact CZ3-CB 3.89Å; W730-Y735 AromaticContact CD1-CD2 3.61Å; W730-Y735 AromaticContact CD1-CE2 3.31Å; W730-Y735 AromaticContact CD1-CZ 3.85Å; W730-Y735 HydrophobicContact CD2-CD2 4.41Å; W730-Y735 AromaticContact CE2-CD2 3.83Å; W730-Y735 HydrophobicContact CG-CD2 4.27Å; W730-Y735 AromaticContact CG-CE2 3.96Å; W730-Y735 HydrophobicContact CG-CE2 3.96Å; W730-Y735 HydrophobicContact CZ2-CD2 4.44Å; W730-Y735 AromaticContact NE1-CD2 3.29Å; W730-Y735 VanDerWaalsContact NE1-CD2 3.29Å; W730-Y735 AromaticContact NE1-CE2 3.55Å; W730-Y735 AromaticContact NE1-CG 3.8Å; W730-L876 HydrophobicContact CB-CD1 4.12Å; W730-L876 HydrophobicContact CB-CD2 4.13Å; W730-P924 HydrophobicContact CH2-CB 4.17Å; W730-P924 HydrophobicContact CH2-CG 3.38Å; W730-P924 HydrophobicContact CZ2-CG 4.2Å; W730-P924 HydrophobicContact CZ3-CG 3.92Å; W730-P926 HydrophobicContact CZ2-CB 4.23Å; W730-P926 PolarHBondContact NE1-O 2.73Å; W730-L927 HydrophobicContact CD2-CB 4.14Å; W730-L927 HydrophobicContact CD2-CD1 4.21Å; W730-L927 HydrophobicContact CD2-CG 4.29Å; W730-L927 HydrophobicContact CE3-CB 4.47Å; W730-L927 HydrophobicContact CE3-CD1 4.02Å; W730-L927 HydrophobicContact CH2-CB 4.17Å; W730-L927 HydrophobicContact CZ2-CB 3.81Å; W730-L927 HydrophobicContact CZ3-CB 4.47Å; W730-L927 HydrophobicContact CZ3-CD1 4.32Å; W730-T930 PolarHBondContact NE1-OG1 3.48Å; W730-Q931 HydrophobicContact CB-CG 4.41Å; W730-Q931 HydrophobicContact CG-CG 4.29Å
731	K	77.2	Confident	69.6	Low	116 Å²	116	82.1 Å²	82.1	50%	0.504	41%	0.41	S	S	.	.			trans	-145.7	134.2	174.1	-69.4	-167	174.7	-164.6	0	108.9	Q733 R734	K731-Q733 PolarHBondContact O-N 2.96Å; K731-Q733 VanDerWaalsContact O-N 3.15Å; K731-R734 HydrophobicContact CB-CB 4.32Å; K731-R734 HydrophobicContact CB-CG 3.96Å; K731-R734 WeakPolarHBondContact O-CB 3.38Å; K731-R734 PolarHBondContact O-N 3.25Å
732	R	82.1	Confident	71	Confident	98 Å²	98	80.5 Å²	80.5	37%	0.37	41%	0.411	S	S	.	.	G	3₁₀ helix	trans	-55.8	-35.2	-176.4	-163.2	165.9	178.5	169.8	-8.3	113.2	W730 R734 E818 D819	W730-R732 VanDerWaalsContact CH2-CA 3.47Å; W730-R732 HydrophobicContact CH2-CB 3.8Å; W730-R732 HydrophobicContact CH2-CG 4.03Å; W730-R732 HydrophobicContact CZ3-CB 3.89Å; R732-R734 VanDerWaalsContact C-N 3.28Å; R732-R734 PolarHBondContact O-N 3.18Å; R732-E818 VanDerWaalsContact CZ-CD 3.47Å; R732-E818 IonicContact CZ-OE1 3.68Å; R732-E818 IonicContact CZ-OE2 3.66Å; R732-E818 VanDerWaalsContact CZ-OE2 3.24Å; R732-E818 IonicContact NH1-OE1 3.13Å; R732-E818 PolarHBondContact NH1-OE1 3.42Å; R732-E818 IonicContact NH1-OE2 2.67Å; R732-E818 PolarHBondContact NH1-OE2 3.19Å; R732-E818 IonicContact NH2-OE1 3.71Å; R732-E818 PolarHBondContact NH2-OE1 3.08Å; R732-E818 IonicContact NH2-OE2 2.86Å; R732-E818 PolarHBondContact NH2-OE2 2.91Å; R732-D819 IonicContact NH2-OD2 2.72Å; R732-D819 PolarHBondContact NH2-OD2 2.91Å
733	Q	84.6	Confident	72.3	Confident	145 Å²	145	79.8 Å²	79.8	68%	0.678	42%	0.419	S	S	*	.	G	3₁₀ helix	trans	-78	-2.7	179.3	-47.4	80.6	4.8	0	0	114.7	K731	K731-Q733 PolarHBondContact O-N 2.96Å; K731-Q733 VanDerWaalsContact O-N 3.15Å
734	R	85.3	Confident	74.2	Confident	59 Å²	59	78.1 Å²	78.1	22%	0.223	41%	0.411	C	S	.	.	G	3₁₀ helix	trans	-100.9	-9.7	-177.3	-74.2	-79.7	-64.8	167	14.1	113.6	K731 R732 Q831 L832 E833	K731-R734 HydrophobicContact CB-CB 4.32Å; K731-R734 HydrophobicContact CB-CG 3.96Å; K731-R734 WeakPolarHBondContact O-CB 3.38Å; K731-R734 PolarHBondContact O-N 3.25Å; R732-R734 VanDerWaalsContact C-N 3.28Å; R732-R734 PolarHBondContact O-N 3.18Å; R734-Q831 WeakPolarHBondContact O-CA 3.48Å; R734-L832 PolarHBondContact NH1-O 3.08Å; R734-L832 PolarHBondContact NH2-O 2.93Å; R734-L832 PolarHBondContact O-N 3.44Å; R734-E833 PolarHBondContact NH1-O 3.48Å
735	Y	89	Confident	76.4	Confident	31 Å²	31	83 Å²	83	12%	0.122	43%	0.434	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	140.9	-175.8	-60.1	-90.7	0	0	0	109.6	W730 V829 E830 Q831 T930	W730-Y735 AromaticContact CD1-CD2 3.61Å; W730-Y735 AromaticContact CD1-CE2 3.31Å; W730-Y735 AromaticContact CD1-CZ 3.85Å; W730-Y735 HydrophobicContact CD2-CD2 4.41Å; W730-Y735 AromaticContact CE2-CD2 3.83Å; W730-Y735 HydrophobicContact CG-CD2 4.27Å; W730-Y735 AromaticContact CG-CE2 3.96Å; W730-Y735 HydrophobicContact CG-CE2 3.96Å; W730-Y735 HydrophobicContact CZ2-CD2 4.44Å; W730-Y735 AromaticContact NE1-CD2 3.29Å; W730-Y735 VanDerWaalsContact NE1-CD2 3.29Å; W730-Y735 AromaticContact NE1-CE2 3.55Å; W730-Y735 AromaticContact NE1-CG 3.8Å; Y735-V829 HydrophobicContact CD1-CG1 4.06Å; Y735-E830 CarbonylContact C-O 3.57Å; Y735-E830 VanDerWaalsContact CA-O 3.31Å; Y735-E830 WeakPolarHBondContact CA-O 3.42Å; Y735-Q831 HydrophobicContact CD1-CB 4.16Å; Y735-Q831 HydrophobicContact CD1-CG 4.15Å; Y735-Q831 HydrophobicContact CE1-CB 4.15Å; Y735-Q831 HydrophobicContact CE1-CG 3.85Å; Y735-Q831 VanDerWaalsContact CE1-NE2 3.26Å; Y735-Q831 PolarHBondContact OH-NE2 3.41Å; Y735-Q831 VanDerWaalsContact OH-NE2 3.13Å; Y735-T930 HydrophobicContact CD1-CG2 3.9Å; Y735-T930 HydrophobicContact CE1-CG2 3.9Å
736	R	91.2	Very high	78.8	Confident	112 Å²	112	82.5 Å²	82.5	42%	0.423	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	165	169.6	71.4	-175.7	-175.3	172.9	4.3	110.1	E830 W844	R736-E830 HydrophobicContact CG-CB 3.98Å; R736-E830 IonicContact CZ-OE2 3.26Å; R736-E830 PolarHBondContact N-O 3.11Å; R736-E830 IonicContact NE-OE2 2.73Å; R736-E830 PolarHBondContact NE-OE2 3.42Å; R736-E830 IonicContact NH2-OE2 3.52Å; R736-E830 PolarHBondContact NH2-OE2 2.82Å; R736-E830 PolarHBondContact O-N 3.27Å; R736-W844 HydrophobicContact CB-CE3 4.48Å; R736-W844 HydrophobicContact CB-CH2 4.13Å; R736-W844 HydrophobicContact CB-CZ3 3.97Å; R736-W844 HydrophobicContact CG-CD2 4.13Å; R736-W844 HydrophobicContact CG-CE3 3.67Å; R736-W844 HydrophobicContact CG-CH2 4.12Å; R736-W844 HydrophobicContact CG-CZ3 3.66Å
737	L	92.6	Very high	81.3	Confident	47 Å²	47	80.1 Å²	80.1	25%	0.246	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	141.1	164.8	-53.2	-175.8	0	0	0	108.4	P821 V827 A828 V829 A925 P926 L929	L737-P821 HydrophobicContact CD1-CB 4.03Å; L737-P821 HydrophobicContact CD1-CG 3.78Å; L737-V827 HydrophobicContact CB-CB 4.25Å; L737-V827 HydrophobicContact CB-CG1 4.32Å; L737-V827 HydrophobicContact CD1-CG1 4.43Å; L737-V827 HydrophobicContact CD1-CG2 4.28Å; L737-V827 HydrophobicContact CD2-CG2 4.46Å; L737-A828 WeakPolarHBondContact CA-O 3.36Å; L737-V829 HydrophobicContact CD2-CG2 4.1Å; L737-A925 HydrophobicContact CD1-CB 4.11Å; L737-P926 HydrophobicContact CD2-CB 4.18Å; L737-P926 HydrophobicContact CD2-CG 3.87Å; L737-P926 HydrophobicContact CG-CG 4.02Å; L737-L929 HydrophobicContact CD2-CD1 3.71Å
738	S	92.3	Very high	83.8	Confident	19 Å²	19	77.5 Å²	77.5	13%	0.133	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	131.9	164	55.6	0	0	0	0	109.5	Q740 V827 A828 E830	S738-Q740 PolarHBondContact OG-NE2 3.14Å; S738-V827 WeakPolarHBondContact O-CA 3.37Å; S738-A828 PolarHBondContact N-O 3.33Å; S738-A828 PolarHBondContact O-N 2.9Å; S738-E830 WeakPolarHBondContact CB-OE1 3.37Å; S738-E830 VanDerWaalsContact OG-CD 3.23Å; S738-E830 PolarHBondContact OG-OE1 3.34Å
739	A	91.8	Very high	85.8	Confident	59 Å²	59	70 Å²	70	49%	0.488	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.1	144.8	173.4	0	0	0	0	0	110.1	E825	A739-E825 HydrophobicContact CB-CG 4.03Å; A739-E825 VanDerWaalsContact CB-OE1 3.31Å; A739-E825 WeakPolarHBondContact CB-OE1 3.16Å
740	Q	90.2	Very high	87.5	Confident	47 Å²	47	66.9 Å²	66.9	22%	0.22	35%	0.354	C	S	.	.			trans	-128	138.7	-178.6	-56	-70.9	-81.3	0	0	109.2	S738 E742 P826 A828 P852	S738-Q740 PolarHBondContact OG-NE2 3.14Å; Q740-E742 VanDerWaalsContact C-N 3.34Å; Q740-E742 PolarHBondContact O-N 3.46Å; Q740-P826 HydrophobicContact CB-CB 4.41Å; Q740-P826 PolarHBondContact N-O 3.18Å; Q740-A828 HydrophobicContact CG-CB 3.72Å; Q740-P852 HydrophobicContact CB-CB 3.97Å; Q740-P852 HydrophobicContact CG-CB 4.02Å; Q740-P852 HydrophobicContact CG-CG 4.37Å
741	A	81.6	Confident	88.3	Confident	113 Å²	113	69 Å²	69	93%	0.934	37%	0.366	S	S	*	.	S	Bend	trans	-74.7	-21.8	-176.2	0	0	0	0	0	113.9
742	E	80.3	Confident	88.7	Confident	154 Å²	154	68 Å²	68	72%	0.72	36%	0.363	S	S	*	.	S	Bend	trans	-98.3	131.4	-177.9	-66	-177.9	167.1	0	0	111.6	Q740 P826	Q740-E742 VanDerWaalsContact C-N 3.34Å; Q740-E742 PolarHBondContact O-N 3.46Å; E742-P826 WeakPolarHBondContact O-CB 3.27Å
743	G	76.9	Confident	88.9	Confident	53 Å²	53	64.1 Å²	64.1	55%	0.546	35%	0.35	S	S	.	.	P	Polyproline II helix	trans	-81.6	155.5	175	0	0	0	0	0	113.2	Q745	G743-Q745 PolarHBondContact O-N 3.45Å
744	L	90.4	Very high	88.8	Confident	28 Å²	28	59.1 Å²	59.1	15%	0.147	33%	0.327	C	S	.	.	P	Polyproline II helix	trans	-62.7	121.7	-178.6	178	64.6	0	0	0	113	P851 C853 Q857 F862	L744-P851 HydrophobicContact CD1-CB 4.03Å; L744-P851 HydrophobicContact CD1-CG 3.7Å; L744-C853 HydrophobicContact CB-CB 3.98Å; L744-C853 HydrophobicContact CD1-CB 4.33Å; L744-C853 HydrophobicContact CD2-CB 3.89Å; L744-C853 HydrophobicContact CG-CB 4.28Å; L744-Q857 HydrophobicContact CD2-CB 3.91Å; L744-Q857 HydrophobicContact CD2-CG 4.21Å; L744-F862 HydrophobicContact CD1-CE2 3.92Å; L744-F862 HydrophobicContact CD1-CZ 3.85Å; L744-F862 HydrophobicContact CD2-CE2 3.61Å; L744-F862 HydrophobicContact CD2-CZ 3.8Å; L744-F862 HydrophobicContact CG-CE2 4.43Å; L744-F862 HydrophobicContact CG-CZ 4.44Å
745	Q	92.1	Very high	88.5	Confident	144 Å²	144	67 Å²	67	67%	0.673	36%	0.357	S	S	*	.			trans	-87.9	114.8	155.8	-61	-173.2	10.6	0	0	109.1	G743 P748 G749	G743-Q745 PolarHBondContact O-N 3.45Å; Q745-P748 HydrophobicContact CB-CB 4.45Å; Q745-P748 HydrophobicContact CB-CG 3.9Å; Q745-G749 PolarHBondContact O-N 3.3Å
746	L	92.8	Very high	88.2	Confident	49 Å²	49	69.2 Å²	69.2	26%	0.257	37%	0.365	S	S	.	.	H	α-helix	trans	-62.2	-49.6	-168.5	178	59.9	0	0	0	113.5	G749 L750 F861 F862 P990	L746-G749 WeakPolarHBondContact O-CA 3.3Å; L746-G749 PolarHBondContact O-N 2.84Å; L746-L750 HydrophobicContact CD1-CD1 4Å; L746-L750 HydrophobicContact CD1-CG 4.04Å; L746-L750 HydrophobicContact CG-CD1 4Å; L746-L750 HydrophobicContact CG-CG 4.46Å; L746-L750 WeakPolarHBondContact O-CG 3.36Å; L746-L750 PolarHBondContact O-N 3.01Å; L746-F861 HydrophobicContact CD1-CB 3.72Å; L746-F861 HydrophobicContact CD1-CD1 3.67Å; L746-F861 HydrophobicContact CD1-CD2 3.92Å; L746-F861 HydrophobicContact CD1-CE1 4.22Å; L746-F861 HydrophobicContact CD1-CE2 4.46Å; L746-F861 HydrophobicContact CD1-CG 3.5Å; L746-F861 VanDerWaalsContact CD1-CG 3.5Å; L746-F861 HydrophobicContact CD2-CD1 3.88Å; L746-F861 HydrophobicContact CD2-CE1 3.67Å; L746-F861 HydrophobicContact CD2-CG 4.46Å; L746-F861 HydrophobicContact CD2-CZ 4.09Å; L746-F861 HydrophobicContact CG-CD1 4.46Å; L746-F862 HydrophobicContact CD1-CE1 4.38Å; L746-F862 HydrophobicContact CD1-CZ 4.29Å; L746-P990 HydrophobicContact CD2-CG 4.37Å
747	L	93.3	Very high	88	Confident	42 Å²	42	71.2 Å²	71.2	22%	0.22	38%	0.376	C	S	.	.	H	α-helix	trans	-65.9	-47.4	-175.4	-174.4	68.4	0	0	0	112.5	G749 L750 I751 M758 Q760 P990	L747-G749 VanDerWaalsContact C-N 3.28Å; L747-G749 PolarHBondContact O-N 3.15Å; L747-L750 PolarHBondContact O-N 3.45Å; L747-I751 HydrophobicContact CG-CD1 4.14Å; L747-I751 VanDerWaalsContact O-CG1 3.3Å; L747-I751 WeakPolarHBondContact O-CG1 3.24Å; L747-I751 PolarHBondContact O-N 3.08Å; L747-M758 HydrophobicContact CD1-CB 3.68Å; L747-Q760 HydrophobicContact CD2-CB 4.41Å; L747-P990 HydrophobicContact CD1-CB 4.33Å
748	P	93.9	Very high	88.1	Confident	67 Å²	67	69.2 Å²	69.2	44%	0.435	37%	0.366	S	S	.	.	H	α-helix	trans	-56.9	-38.2	168.7	-27	36.1	0	0	0	113.5	Q745 I751 H752	Q745-P748 HydrophobicContact CB-CB 4.45Å; Q745-P748 HydrophobicContact CB-CG 3.9Å; P748-I751 PolarHBondContact O-N 3.5Å; P748-H752 WeakPolarHBondContact O-CB 3.38Å; P748-H752 PolarHBondContact O-N 3.44Å
749	G	92.9	Very high	88.3	Confident	3 Å²	3	69.8 Å²	69.8	3%	0.031	37%	0.366	C	S	.	.	H	α-helix	trans	-62.4	-44.3	175.9	0	0	0	0	0	113.3	Q745 L746 L747 H752 V753	Q745-G749 PolarHBondContact O-N 3.3Å; L746-G749 WeakPolarHBondContact O-CA 3.3Å; L746-G749 PolarHBondContact O-N 2.84Å; L747-G749 VanDerWaalsContact C-N 3.28Å; L747-G749 PolarHBondContact O-N 3.15Å; G749-H752 PolarHBondContact O-N 3.25Å; G749-V753 WeakPolarHBondContact O-CB 3.45Å; G749-V753 VanDerWaalsContact O-CG2 3.28Å; G749-V753 WeakPolarHBondContact O-CG2 3.29Å; G749-V753 PolarHBondContact O-N 3.15Å
750	L	93.1	Very high	88.4	Confident	4 Å²	4	71.3 Å²	71.3	2%	0.021	36%	0.363	C	S	.	.	H	α-helix	trans	-64.7	-42.8	174.6	-71.8	168.6	0	0	0	111.6	L746 L747 H752 V753 H754 M758 C802 F862 P990	L746-L750 HydrophobicContact CD1-CD1 4Å; L746-L750 HydrophobicContact CD1-CG 4.04Å; L746-L750 HydrophobicContact CG-CD1 4Å; L746-L750 HydrophobicContact CG-CG 4.46Å; L746-L750 WeakPolarHBondContact O-CG 3.36Å; L746-L750 PolarHBondContact O-N 3.01Å; L747-L750 PolarHBondContact O-N 3.45Å; L750-H752 VanDerWaalsContact C-N 3.33Å; L750-H752 PolarHBondContact O-N 3.41Å; L750-V753 PolarHBondContact O-N 2.76Å; L750-H754 WeakPolarHBondContact O-CB 3.5Å; L750-H754 PolarHBondContact O-CD2 2.79Å; L750-H754 VanDerWaalsContact O-CD2 3.25Å; L750-H754 PolarHBondContact O-N 2.79Å; L750-M758 HydrophobicContact CB-SD 3.77Å; L750-C802 HydrophobicContact CD1-CB 4.1Å; L750-C802 HydrophobicContact CD2-CB 4.31Å; L750-F862 HydrophobicContact CD2-CD1 4.04Å; L750-F862 HydrophobicContact CD2-CE1 3.78Å; L750-F862 HydrophobicContact CG-CE1 4Å; L750-P990 HydrophobicContact CD1-CB 3.6Å; L750-P990 HydrophobicContact CD1-CG 4.01Å
751	I	90.3	Very high	88.8	Confident	60 Å²	60	69 Å²	69	31%	0.308	35%	0.353	S	S	.	.	H	α-helix	trans	-60.7	-42.3	176.2	-67.9	166.8	0	0	0	110.9	L747 P748 R755 M758	L747-I751 HydrophobicContact CG-CD1 4.14Å; L747-I751 VanDerWaalsContact O-CG1 3.3Å; L747-I751 WeakPolarHBondContact O-CG1 3.24Å; L747-I751 PolarHBondContact O-N 3.08Å; P748-I751 PolarHBondContact O-N 3.5Å; I751-R755 WeakPolarHBondContact O-CA 3.24Å; I751-R755 PolarHBondContact O-N 3.44Å; I751-M758 HydrophobicContact CD1-CB 4.38Å; I751-M758 HydrophobicContact CG1-CB 3.86Å; I751-M758 HydrophobicContact CG1-CG 4.25Å
752	H	86.5	Confident	89.6	Confident	95 Å²	95	66 Å²	66	44%	0.44	32%	0.322	S	S	.	.	H	α-helix	trans	-62.6	-48.5	174.9	174.4	87	0	0	0	112.4	P748 G749 L750 P848	P748-H752 WeakPolarHBondContact O-CB 3.38Å; P748-H752 PolarHBondContact O-N 3.44Å; G749-H752 PolarHBondContact O-N 3.25Å; L750-H752 VanDerWaalsContact C-N 3.33Å; L750-H752 PolarHBondContact O-N 3.41Å; H752-P848 PolarHBondContact NE2-O 3.23Å
753	V	85.1	Confident	90.4	Very high	16 Å²	16	58.8 Å²	58.8	10%	0.097	29%	0.289	C	S	.	.	H	α-helix	trans	-67.6	-41.3	-176.9	168.2	0	0	0	0	112.3	G749 L750 L850 F862 L934	G749-V753 WeakPolarHBondContact O-CB 3.45Å; G749-V753 VanDerWaalsContact O-CG2 3.28Å; G749-V753 WeakPolarHBondContact O-CG2 3.29Å; G749-V753 PolarHBondContact O-N 3.15Å; L750-V753 PolarHBondContact O-N 2.76Å; V753-L850 HydrophobicContact CG2-CD2 4.1Å; V753-F862 HydrophobicContact CB-CD1 4.43Å; V753-F862 HydrophobicContact CG2-CD1 3.98Å; V753-F862 HydrophobicContact CG2-CE1 4.27Å; V753-F862 HydrophobicContact CG2-CG 4.33Å; V753-L934 HydrophobicContact CG1-CD1 3.84Å; V753-L934 HydrophobicContact CG1-CD2 3.76Å; V753-L934 HydrophobicContact CG1-CG 4.28Å
754	H	82.8	Confident	91.4	Very high	39 Å²	39	62.2 Å²	62.2	18%	0.181	29%	0.285	C	S	.	.	H	α-helix	trans	-95.3	-10	-176.8	-65.1	-68.8	0	0	0	114.3	L750 R756 M758 L935	L750-H754 WeakPolarHBondContact O-CB 3.5Å; L750-H754 PolarHBondContact O-CD2 2.79Å; L750-H754 VanDerWaalsContact O-CD2 3.25Å; L750-H754 PolarHBondContact O-N 2.79Å; H754-R756 PolarHBondContact O-N 3.12Å; H754-R756 VanDerWaalsContact O-N 3.13Å; H754-M758 HydrophobicContact CB-CE 3.58Å; H754-L935 PolarHBondContact CE1-O 3.03Å; H754-L935 VanDerWaalsContact CE1-O 3.24Å
755	R	80.3	Confident	91.8	Very high	225 Å²	225	61.9 Å²	61.9	85%	0.849	29%	0.285	S	S	*	.			trans	53.2	28.2	-177	-57	-176.5	176.4	-164.2	-2.8	114.3	I751	I751-R755 WeakPolarHBondContact O-CA 3.24Å; I751-R755 PolarHBondContact O-N 3.44Å
756	R	82.1	Confident	92	Very high	77 Å²	77	57.2 Å²	57.2	29%	0.291	27%	0.266	S	S	.	.	S	Bend	trans	-127.7	138.6	-178.9	179.9	160.5	-78.6	-167.1	-12.2	108.6	E581 H754 M758 F992	E581-R756 IonicContact OE1-CZ 3.14Å; E581-R756 IonicContact OE1-NH2 2.7Å; E581-R756 PolarHBondContact OE1-NH2 3.12Å; E581-R756 IonicContact OE2-CZ 2.96Å; E581-R756 IonicContact OE2-NH1 3.55Å; E581-R756 PolarHBondContact OE2-NH1 2.93Å; E581-R756 IonicContact OE2-NH2 3.22Å; E581-R756 PolarHBondContact OE2-NH2 3.04Å; H754-R756 PolarHBondContact O-N 3.12Å; H754-R756 VanDerWaalsContact O-N 3.13Å; R756-M758 PolarHBondContact O-N 3.24Å; R756-F992 VanDerWaalsContact CD-CE2 3.47Å; R756-F992 HydrophobicContact CG-CD2 4.34Å; R756-F992 HydrophobicContact CG-CG 4.42Å
757	K	87.8	Confident	92.2	Very high	154 Å²	154	59 Å²	59	67%	0.67	27%	0.274	S	S	*	.			trans	-63.7	132.3	176.3	-168.1	179.2	-177.1	-172.7	0	108.8	F759	K757-F759 HydrophobicContact CD-CE1 4.42Å; K757-F759 HydrophobicContact CD-CE2 4.38Å; K757-F759 HydrophobicContact CD-CZ 3.66Å; K757-F759 VanDerWaalsContact CE-CZ 3.47Å; K757-F759 HydrophobicContact CG-CE1 4.49Å; K757-F759 HydrophobicContact CG-CE2 4.16Å; K757-F759 HydrophobicContact CG-CZ 3.78Å
758	M	93.6	Very high	92.4	Very high	6 Å²	6	61 Å²	61	3%	0.03	28%	0.284	C	S	.	.			trans	-133.1	158.1	-178.8	-64.6	-177.5	178.2	0	0	110.3	L747 L750 I751 H754 R756 C802 C991 F992	L747-M758 HydrophobicContact CD1-CB 3.68Å; L750-M758 HydrophobicContact CB-SD 3.77Å; I751-M758 HydrophobicContact CD1-CB 4.38Å; I751-M758 HydrophobicContact CG1-CB 3.86Å; I751-M758 HydrophobicContact CG1-CG 4.25Å; H754-M758 HydrophobicContact CB-CE 3.58Å; R756-M758 PolarHBondContact O-N 3.24Å; M758-C802 VanDerWaalsContact SD-SG 3.7Å; M758-C991 WeakPolarHBondContact CA-O 3.45Å; M758-F992 HydrophobicContact CE-CD1 3.9Å; M758-F992 HydrophobicContact CE-CE1 3.91Å; M758-F992 HydrophobicContact CG-CB 4.45Å; M758-F992 HydrophobicContact CG-CD1 4.05Å
759	F	95.9	Very high	92.5	Very high	30 Å²	30	59.9 Å²	59.9	13%	0.132	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	167.7	-176.3	-56.1	-82.4	0	0	0	109.2	K757 G790 L791 P990 C991	K757-F759 HydrophobicContact CD-CE1 4.42Å; K757-F759 HydrophobicContact CD-CE2 4.38Å; K757-F759 HydrophobicContact CD-CZ 3.66Å; K757-F759 VanDerWaalsContact CE-CZ 3.47Å; K757-F759 HydrophobicContact CG-CE1 4.49Å; K757-F759 HydrophobicContact CG-CE2 4.16Å; K757-F759 HydrophobicContact CG-CZ 3.78Å; F759-G790 WeakPolarHBondContact CD2-O 3.39Å; F759-G790 VanDerWaalsContact CE2-O 3.25Å; F759-G790 WeakPolarHBondContact CE2-O 3.41Å; F759-G790 VanDerWaalsContact CZ-CA 3.49Å; F759-L791 HydrophobicContact CB-CD1 3.87Å; F759-L791 HydrophobicContact CB-CD2 3.95Å; F759-L791 HydrophobicContact CB-CG 3.78Å; F759-L791 HydrophobicContact CD2-CD2 4.01Å; F759-L791 HydrophobicContact CD2-CG 4.19Å; F759-L791 HydrophobicContact CG-CD2 4.26Å; F759-L791 HydrophobicContact CG-CG 4.05Å; F759-P990 WeakPolarHBondContact O-CA 3.34Å; F759-C991 PolarHBondContact N-O 3.05Å; F759-C991 PolarHBondContact O-N 3.34Å
760	Q	95.9	Very high	92.5	Very high	91 Å²	91	60.3 Å²	60.3	43%	0.425	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	108.2	175	-172.6	176.2	-83.3	0	0	108.8	L747 Q788 P988	L747-Q760 HydrophobicContact CD2-CB 4.41Å; Q760-Q788 PolarHBondContact O-NE2 2.78Å; Q760-P988 HydrophobicContact CG-CB 3.81Å
761	A	97.2	Very high	92.5	Very high	0 Å²	0	62 Å²	62	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	170.1	164.5	0	0	0	0	0	109.7	L783 D784 L791 V989	A761-L783 HydrophobicContact CB-CB 4.18Å; A761-L783 HydrophobicContact CB-CD1 4.48Å; A761-D784 CarbonylContact C-O 3.56Å; A761-D784 VanDerWaalsContact CA-O 3.3Å; A761-D784 WeakPolarHBondContact CA-O 3.46Å; A761-D784 WeakPolarHBondContact CB-O 3.28Å; A761-L791 HydrophobicContact CB-CD1 4.26Å; A761-V989 PolarHBondContact N-O 2.93Å; A761-V989 PolarHBondContact O-N 3.43Å
762	T	97.9	Very high	92.4	Very high	49 Å²	49	65 Å²	65	30%	0.301	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	149.8	169.8	58	0	0	0	0	111.1	L783 D784 D987	T762-L783 CarbonylContact O-C 3.59Å; T762-L783 VanDerWaalsContact O-CA 3.3Å; T762-L783 WeakPolarHBondContact O-CA 3.36Å; T762-D784 PolarHBondContact N-O 3.49Å; T762-D784 PolarHBondContact O-N 3.1Å; T762-D987 CarbonylContact C-O 3.57Å; T762-D987 WeakPolarHBondContact CA-O 3.42Å
763	I	98.3	Very high	92.6	Very high	3 Å²	3	68.7 Å²	68.7	2%	0.015	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	134.1	176.6	-68.5	-84.8	0	0	0	109.6	V766 V781 L783 L983 K984 P985 G986 D987 V989	I763-V766 HydrophobicContact CD1-CG2 4.13Å; I763-V766 HydrophobicContact CG2-CG2 3.95Å; I763-V781 HydrophobicContact CD1-CG1 3.45Å; I763-V781 VanDerWaalsContact CD1-CG1 3.45Å; I763-L783 HydrophobicContact CD1-CD2 3.59Å; I763-L783 HydrophobicContact CG1-CD2 4.14Å; I763-L983 HydrophobicContact CD1-CB 4.04Å; I763-L983 HydrophobicContact CD1-CD1 3.76Å; I763-L983 HydrophobicContact CG1-CB 3.81Å; I763-L983 HydrophobicContact CG1-CD1 3.67Å; I763-L983 HydrophobicContact CG1-CG 4.38Å; I763-K984 WeakPolarHBondContact CB-O 3.43Å; I763-K984 VanDerWaalsContact CG2-O 3.3Å; I763-K984 WeakPolarHBondContact CG2-O 3.49Å; I763-P985 CarbonylContact O-C 3.56Å; I763-P985 VanDerWaalsContact O-CA 3.29Å; I763-P985 WeakPolarHBondContact O-CA 3.28Å; I763-G986 PolarHBondContact O-N 3.42Å; I763-D987 HydrophobicContact CG1-CB 4.39Å; I763-D987 PolarHBondContact N-O 3.25Å; I763-V989 HydrophobicContact CD1-CG2 4Å; I763-V989 HydrophobicContact CG1-CG2 3.74Å
764	R	97.6	Very high	92.9	Very high	124 Å²	124	69.2 Å²	69.2	47%	0.468	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	-40.7	172.8	-175.2	165.9	172.8	-178.3	-16.4	111.9	R782 E952	R764-R782 HydrophobicContact CB-CB 4.22Å; R764-R782 PolarHBondContact N-O 3.33Å; R764-E952 IonicContact CZ-OE1 3.3Å; R764-E952 IonicContact CZ-OE2 2.85Å; R764-E952 IonicContact NE-OE1 3.24Å; R764-E952 IonicContact NE-OE2 3.17Å; R764-E952 IonicContact NH1-OE1 2.68Å; R764-E952 PolarHBondContact NH1-OE1 2.82Å; R764-E952 IonicContact NH1-OE2 3.57Å; R764-E952 IonicContact NH2-OE1 3.16Å; R764-E952 PolarHBondContact NH2-OE1 3.47Å
765	S	98.2	Very high	93	Very high	22 Å²	22	74 Å²	74	15%	0.154	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.5	162.2	167.2	68.4	0	0	0	0	112.1	E767 R782	S765-E767 VanDerWaalsContact CB-OE1 3.24Å; S765-E767 WeakPolarHBondContact CB-OE1 3.4Å; S765-E767 PolarHBondContact OG-OE1 3.11Å; S765-R782 PolarHBondContact N-O 2.83Å; S765-R782 PolarHBondContact O-N 2.86Å; S765-R782 WeakPolarHBondContact OG-CD 3.5Å
766	V	97.8	Very high	93.5	Very high	45 Å²	45	67.8 Å²	67.8	27%	0.273	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	116.7	170.3	-179	0	0	0	0	107.8	I763 I779 L780 V781	I763-V766 HydrophobicContact CD1-CG2 4.13Å; I763-V766 HydrophobicContact CG2-CG2 3.95Å; V766-I779 HydrophobicContact CG1-CB 4.17Å; V766-I779 HydrophobicContact CG1-CD1 3.85Å; V766-I779 HydrophobicContact CG1-CG2 4.31Å; V766-L780 WeakPolarHBondContact CA-O 3.39Å; V766-V781 HydrophobicContact CG2-CG1 4.41Å
767	E	96.8	Very high	94.1	Very high	88 Å²	88	65.6 Å²	65.6	41%	0.411	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	133.6	-167.9	-68.4	161.7	-134.4	0	0	110.4	S765 I779 L780	S765-E767 VanDerWaalsContact CB-OE1 3.24Å; S765-E767 WeakPolarHBondContact CB-OE1 3.4Å; S765-E767 PolarHBondContact OG-OE1 3.11Å; E767-I779 CarbonylContact O-C 3.59Å; E767-I779 WeakPolarHBondContact O-CA 3.26Å; E767-L780 HydrophobicContact CB-CB 4.43Å; E767-L780 PolarHBondContact N-O 2.92Å; E767-L780 PolarHBondContact O-N 2.88Å
768	N	96.1	Very high	94.5	Very high	83 Å²	83	58.4 Å²	58.4	44%	0.444	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	123	178.8	-177.7	33.9	0	0	0	111.4	Q770 T778	N768-Q770 PolarHBondContact ND2-O 3.1Å; N768-Q770 PolarHBondContact OD1-N 3.4Å; N768-T778 PolarHBondContact OD1-N 2.74Å; N768-T778 PolarHBondContact OD1-O 3.01Å
769	L	95.9	Very high	94.7	Very high	43 Å²	43	58.5 Å²	58.5	23%	0.225	31%	0.31	C	S	.	.			trans	-89.5	-3.3	-179.1	-59.1	167.6	0	0	0	113.5	T778 L780 T956 L1056 Y1057	L769-T778 VanDerWaalsContact CB-O 3.32Å; L769-T778 WeakPolarHBondContact CB-O 3.45Å; L769-T778 PolarHBondContact N-O 2.92Å; L769-L780 HydrophobicContact CD1-CB 4.02Å; L769-L780 HydrophobicContact CD2-CB 3.94Å; L769-L780 HydrophobicContact CG-CB 4.03Å; L769-T956 HydrophobicContact CD1-CG2 3.96Å; L769-L1056 HydrophobicContact CB-CD2 3.76Å; L769-Y1057 HydrophobicContact CD1-CE1 3.74Å; L769-Y1057 HydrophobicContact CD1-CE2 4.04Å; L769-Y1057 VanDerWaalsContact CD1-CZ 3.43Å; L769-Y1057 WeakPolarHBondContact CD1-OH 3.47Å; L769-Y1057 HydrophobicContact CD2-CD1 4.03Å; L769-Y1057 HydrophobicContact CD2-CE1 3.56Å; L769-Y1057 HydrophobicContact CG-CE1 4.3Å
770	Q	94	Very high	94.8	Very high	12 Å²	12	57.5 Å²	57.5	6%	0.056	31%	0.306	C	S	.	.	S	Bend	trans	-103.2	153.3	175.4	-64.9	-166.3	-3.8	0	0	111.4	N768 S774 R776 T778 L1053 D1054 L1056	N768-Q770 PolarHBondContact ND2-O 3.1Å; N768-Q770 PolarHBondContact OD1-N 3.4Å; Q770-S774 PolarHBondContact OE1-OG 3.27Å; Q770-R776 VanDerWaalsContact OE1-C 3.31Å; Q770-R776 PolarHBondContact OE1-O 2.76Å; Q770-R776 VanDerWaalsContact OE1-O 3.06Å; Q770-T778 PolarHBondContact NE2-OG1 2.89Å; Q770-L1053 WeakPolarHBondContact CA-O 3.41Å; Q770-L1053 WeakPolarHBondContact CB-O 3.3Å; Q770-D1054 HydrophobicContact CG-CB 4.12Å; Q770-L1056 HydrophobicContact CG-CD2 4.03Å
771	S	92.1	Very high	95	Very high	40 Å²	40	53.2 Å²	53.2	28%	0.28	29%	0.286	S	S	.	.			trans	-53.7	142.5	172.1	-178.2	0	0	0	0	111	K773 S774 Q1052 L1053	S771-K773 PolarHBondContact O-N 3.27Å; S771-K773 PolarHBondContact OG-N 3.44Å; S771-S774 WeakPolarHBondContact O-CB 3.35Å; S771-S774 PolarHBondContact O-N 2.98Å; S771-Q1052 WeakPolarHBondContact CB-O 3.38Å; S771-L1053 PolarHBondContact N-O 2.7Å
772	S	89.6	Confident	95	Very high	122 Å²	122	55.6 Å²	55.6	85%	0.853	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.2	-10.8	173.5	54.8	0	0	0	0	113.7
773	K	90.6	Very high	95	Very high	173 Å²	173	53.2 Å²	53.2	75%	0.752	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.1	-4.5	171	-56.6	-178.2	-176.7	177.2	0	113.7	S771 L1053	S771-K773 PolarHBondContact O-N 3.27Å; S771-K773 PolarHBondContact OG-N 3.44Å; K773-L1053 HydrophobicContact CB-CD2 4.02Å
774	S	89.5	Confident	95	Very high	28 Å²	28	56 Å²	56	20%	0.196	30%	0.295	C	S	.	.			trans	-73.4	141.2	178.3	-172.5	0	0	0	0	111.3	Q770 S771 R776	Q770-S774 PolarHBondContact OE1-OG 3.27Å; S771-S774 WeakPolarHBondContact O-CB 3.35Å; S771-S774 PolarHBondContact O-N 2.98Å; S774-R776 WeakPolarHBondContact CB-O 3.21Å; S774-R776 PolarHBondContact O-N 3.32Å; S774-R776 PolarHBondContact OG-N 2.66Å; S774-R776 PolarHBondContact OG-O 2.91Å; S774-R776 VanDerWaalsContact OG-O 3.1Å
775	T	86.5	Confident	94.9	Very high	140 Å²	140	50.5 Å²	50.5	86%	0.859	28%	0.276	S	S	*	.	S	Bend	trans	-83.2	9.1	169.7	53.6	0	0	0	0	112.9
776	R	89.9	Confident	94.6	Very high	94 Å²	94	52.6 Å²	52.6	36%	0.355	30%	0.3	S	S	.	.	S	Bend	trans	-133.3	166.3	176.4	-64.3	174.1	69.5	-142.1	3.6	108.8	Q770 S774 D1054	Q770-R776 VanDerWaalsContact OE1-C 3.31Å; Q770-R776 PolarHBondContact OE1-O 2.76Å; Q770-R776 VanDerWaalsContact OE1-O 3.06Å; S774-R776 WeakPolarHBondContact CB-O 3.21Å; S774-R776 PolarHBondContact O-N 3.32Å; S774-R776 PolarHBondContact OG-N 2.66Å; S774-R776 PolarHBondContact OG-O 2.91Å; S774-R776 VanDerWaalsContact OG-O 3.1Å; R776-D1054 IonicContact NH1-OD2 2.81Å
777	A	94	Very high	94.3	Very high	30 Å²	30	53.5 Å²	53.5	25%	0.248	32%	0.319	C	S	.	.			trans	-125.9	152	167.4	0	0	0	0	0	110.6	V959	A777-V959 HydrophobicContact CB-CB 4.08Å; A777-V959 HydrophobicContact CB-CG2 3.87Å; A777-V959 PolarHBondContact O-N 3.29Å; A777-V959 VanDerWaalsContact O-N 3.12Å
778	T	97.1	Very high	94.1	Very high	3 Å²	3	52.4 Å²	52.4	2%	0.018	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	121.8	166.7	-62	0	0	0	0	106.2	N768 L769 Q770 T956 V957 T1016 L1056	N768-T778 PolarHBondContact OD1-N 2.74Å; N768-T778 PolarHBondContact OD1-O 3.01Å; L769-T778 VanDerWaalsContact CB-O 3.32Å; L769-T778 WeakPolarHBondContact CB-O 3.45Å; L769-T778 PolarHBondContact N-O 2.92Å; Q770-T778 PolarHBondContact NE2-OG1 2.89Å; T778-T956 HydrophobicContact CG2-CG2 4.09Å; T778-V957 CarbonylContact C-O 3.5Å; T778-V957 VanDerWaalsContact CA-O 3.32Å; T778-V957 WeakPolarHBondContact CA-O 3.44Å; T778-T1016 HydrophobicContact CG2-CG2 3.85Å; T778-L1056 HydrophobicContact CG2-CD1 3.94Å; T778-L1056 HydrophobicContact CG2-CD2 4.04Å
779	I	97.9	Very high	93.8	Very high	9 Å²	9	56 Å²	56	5%	0.046	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	143	-168.8	58.6	179.5	0	0	0	111.1	V766 E767 V781 T956 V957 V959 L980	V766-I779 HydrophobicContact CG1-CB 4.17Å; V766-I779 HydrophobicContact CG1-CD1 3.85Å; V766-I779 HydrophobicContact CG1-CG2 4.31Å; E767-I779 CarbonylContact O-C 3.59Å; E767-I779 WeakPolarHBondContact O-CA 3.26Å; I779-V781 HydrophobicContact CD1-CG2 3.69Å; I779-V781 HydrophobicContact CG1-CG2 3.92Å; I779-T956 CarbonylContact O-C 3.6Å; I779-T956 WeakPolarHBondContact O-CA 3.21Å; I779-V957 HydrophobicContact CD1-CB 4.3Å; I779-V957 HydrophobicContact CG1-CB 3.8Å; I779-V957 HydrophobicContact CG1-CG1 4.45Å; I779-V957 WeakPolarHBondContact CG1-O 3.2Å; I779-V957 PolarHBondContact N-O 3.02Å; I779-V957 PolarHBondContact O-N 2.81Å; I779-V959 HydrophobicContact CD1-CG2 4.25Å; I779-V959 HydrophobicContact CG1-CG2 4.26Å; I779-V959 HydrophobicContact CG2-CG2 4.08Å; I779-L980 HydrophobicContact CD1-CB 4.31Å
780	L	98.4	Very high	93.5	Very high	9 Å²	9	55.3 Å²	55.3	5%	0.047	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	118.6	156.2	171.1	61.7	0	0	0	107.1	V766 E767 L769 R782 H954 L955	V766-L780 WeakPolarHBondContact CA-O 3.39Å; E767-L780 HydrophobicContact CB-CB 4.43Å; E767-L780 PolarHBondContact N-O 2.92Å; E767-L780 PolarHBondContact O-N 2.88Å; L769-L780 HydrophobicContact CD1-CB 4.02Å; L769-L780 HydrophobicContact CD2-CB 3.94Å; L769-L780 HydrophobicContact CG-CB 4.03Å; L780-R782 HydrophobicContact CD1-CG 4.32Å; L780-R782 HydrophobicContact CD2-CG 4.38Å; L780-R782 HydrophobicContact CG-CG 4.12Å; L780-H954 HydrophobicContact CD1-CB 3.84Å; L780-L955 WeakPolarHBondContact CA-O 3.29Å
781	V	98.6	Very high	93.6	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	129	168	-177.3	0	0	0	0	107.3	I763 V766 I779 L783 H954 L955 V957 L980	I763-V781 HydrophobicContact CD1-CG1 3.45Å; I763-V781 VanDerWaalsContact CD1-CG1 3.45Å; V766-V781 HydrophobicContact CG2-CG1 4.41Å; I779-V781 HydrophobicContact CD1-CG2 3.69Å; I779-V781 HydrophobicContact CG1-CG2 3.92Å; V781-L783 HydrophobicContact CG1-CD2 3.98Å; V781-L783 HydrophobicContact CG1-CG 4.26Å; V781-H954 CarbonylContact O-C 3.57Å; V781-H954 VanDerWaalsContact O-CA 3.3Å; V781-H954 WeakPolarHBondContact O-CA 3.3Å; V781-L955 HydrophobicContact CB-CB 4.29Å; V781-L955 PolarHBondContact N-O 3.2Å; V781-L955 PolarHBondContact O-N 3.42Å; V781-V957 HydrophobicContact CG2-CG2 4.26Å; V781-L980 HydrophobicContact CG2-CB 4.31Å
782	R	98.4	Very high	93.7	Very high	50 Å²	50	59.7 Å²	59.7	19%	0.189	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	127.1	171.8	-61.1	-178.6	61.7	171.2	1.9	109.2	R764 S765 L780 E952 H954	R764-R782 HydrophobicContact CB-CB 4.22Å; R764-R782 PolarHBondContact N-O 3.33Å; S765-R782 PolarHBondContact N-O 2.83Å; S765-R782 PolarHBondContact O-N 2.86Å; S765-R782 WeakPolarHBondContact OG-CD 3.5Å; L780-R782 HydrophobicContact CD1-CG 4.32Å; L780-R782 HydrophobicContact CD2-CG 4.38Å; L780-R782 HydrophobicContact CG-CG 4.12Å; R782-E952 IonicContact CZ-OE2 2.68Å; R782-E952 VanDerWaalsContact CZ-OE2 3.26Å; R782-E952 IonicContact NE-OE2 3.47Å; R782-E952 PolarHBondContact NE-OE2 2.75Å; R782-E952 IonicContact NH2-OE1 3.7Å; R782-E952 PolarHBondContact NH2-OE1 2.83Å; R782-E952 IonicContact NH2-OE2 3.81Å; R782-E952 PolarHBondContact NH2-OE2 3.47Å; R782-H954 PolarHBondContact NE-NE2 2.86Å
783	L	98.4	Very high	94	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	133.4	179.6	-59.6	175.8	0	0	0	110	A761 T762 I763 V781 I799 E952 I953 L955 V989	A761-L783 HydrophobicContact CB-CB 4.18Å; A761-L783 HydrophobicContact CB-CD1 4.48Å; T762-L783 CarbonylContact O-C 3.59Å; T762-L783 VanDerWaalsContact O-CA 3.3Å; T762-L783 WeakPolarHBondContact O-CA 3.36Å; I763-L783 HydrophobicContact CD1-CD2 3.59Å; I763-L783 HydrophobicContact CG1-CD2 4.14Å; V781-L783 HydrophobicContact CG1-CD2 3.98Å; V781-L783 HydrophobicContact CG1-CG 4.26Å; L783-I799 HydrophobicContact CD1-CD1 3.98Å; L783-E952 CarbonylContact O-C 3.53Å; L783-E952 VanDerWaalsContact O-CA 3.23Å; L783-E952 WeakPolarHBondContact O-CA 3.25Å; L783-I953 HydrophobicContact CB-CB 4.3Å; L783-I953 WeakPolarHBondContact CB-O 3.32Å; L783-I953 PolarHBondContact N-O 2.89Å; L783-I953 PolarHBondContact O-N 2.8Å; L783-L955 HydrophobicContact CD1-CD1 4.02Å; L783-V989 HydrophobicContact CD1-CG1 4.41Å; L783-V989 HydrophobicContact CD2-CB 4.13Å; L783-V989 HydrophobicContact CD2-CG1 4.32Å; L783-V989 HydrophobicContact CD2-CG2 3.84Å
784	D	97.7	Very high	94.2	Very high	62 Å²	62	51.4 Å²	51.4	33%	0.332	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	128.1	165.7	-172.7	-16.1	0	0	0	109.3	A761 T762 G786	A761-D784 CarbonylContact C-O 3.56Å; A761-D784 VanDerWaalsContact CA-O 3.3Å; A761-D784 WeakPolarHBondContact CA-O 3.46Å; A761-D784 WeakPolarHBondContact CB-O 3.28Å; T762-D784 PolarHBondContact N-O 3.49Å; T762-D784 PolarHBondContact O-N 3.1Å; D784-G786 PolarHBondContact OD1-N 2.81Å
785	T	96.4	Very high	94.6	Very high	8 Å²	8	50.9 Å²	50.9	5%	0.049	29%	0.293	C	S	.	.			trans	-83.7	-11.8	178.9	62.3	0	0	0	0	113.7	G787 Q788 L791 G951 I953	T785-G787 PolarHBondContact O-N 2.92Å; T785-G787 PolarHBondContact OG1-N 3.11Å; T785-Q788 WeakPolarHBondContact O-CB 3.43Å; T785-Q788 WeakPolarHBondContact O-CG 3.36Å; T785-Q788 PolarHBondContact O-N 2.94Å; T785-Q788 PolarHBondContact O-NE2 2.86Å; T785-L791 HydrophobicContact CG2-CB 3.79Å; T785-L791 HydrophobicContact CG2-CD1 4.08Å; T785-G951 WeakPolarHBondContact CB-O 3.32Å; T785-G951 WeakPolarHBondContact CG2-O 3.49Å; T785-G951 PolarHBondContact N-O 3.35Å; T785-G951 WeakPolarHBondContact OG1-CA 3.44Å; T785-G951 PolarHBondContact OG1-O 3.25Å; T785-I953 HydrophobicContact CG2-CD1 3.61Å; T785-I953 HydrophobicContact CG2-CG1 3.82Å
786	G	91.9	Very high	94.9	Very high	65 Å²	65	44.2 Å²	44.2	67%	0.67	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.5	21.2	-172.8	0	0	0	0	0	114	D784 Q788	D784-G786 PolarHBondContact OD1-N 2.81Å; G786-Q788 VanDerWaalsContact C-N 3.3Å; G786-Q788 PolarHBondContact O-N 3.16Å
787	G	89.9	Confident	95.2	Very high	64 Å²	64	39.9 Å²	39.9	66%	0.66	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	73.2	13.6	-177.1	0	0	0	0	0	115.2	T785 E789	T785-G787 PolarHBondContact O-N 2.92Å; T785-G787 PolarHBondContact OG1-N 3.11Å; G787-E789 PolarHBondContact O-N 2.8Å
788	Q	93.3	Very high	95.3	Very high	65 Å²	65	39.8 Å²	39.8	30%	0.304	23%	0.23	S	C	.	.			trans	-66.1	118	-179.6	-71.8	168.2	93	0	0	111.6	Q760 T785 G786 G790 L791	Q760-Q788 PolarHBondContact O-NE2 2.78Å; T785-Q788 WeakPolarHBondContact O-CB 3.43Å; T785-Q788 WeakPolarHBondContact O-CG 3.36Å; T785-Q788 PolarHBondContact O-N 2.94Å; T785-Q788 PolarHBondContact O-NE2 2.86Å; G786-Q788 VanDerWaalsContact C-N 3.3Å; G786-Q788 PolarHBondContact O-N 3.16Å; Q788-G790 PolarHBondContact O-N 2.91Å; Q788-G790 VanDerWaalsContact O-N 3.13Å; Q788-L791 HydrophobicContact CB-CD1 4.4Å; Q788-L791 HydrophobicContact CB-CG 4.47Å; Q788-L791 PolarHBondContact O-N 2.91Å
789	E	90.4	Very high	95.2	Very high	158 Å²	158	39.6 Å²	39.6	74%	0.738	23%	0.229	S	C	*	.	G	3₁₀ helix	trans	-52.9	-37.7	-179	-63.8	-176.6	142.4	0	0	113.7	G787 L791 Q792	G787-E789 PolarHBondContact O-N 2.8Å; E789-L791 PolarHBondContact O-N 3.22Å; E789-L791 VanDerWaalsContact O-N 3.16Å; E789-Q792 WeakPolarHBondContact O-CB 3.49Å; E789-Q792 VanDerWaalsContact O-CG 3.25Å; E789-Q792 WeakPolarHBondContact O-CG 3.17Å; E789-Q792 PolarHBondContact O-N 3.05Å
790	G	88.9	Confident	95.1	Very high	29 Å²	29	39.2 Å²	39.2	30%	0.299	23%	0.227	S	C	.	.	G	3₁₀ helix	trans	-74.4	3.4	179	0	0	0	0	0	115.6	F759 Q788	F759-G790 WeakPolarHBondContact CD2-O 3.39Å; F759-G790 VanDerWaalsContact CE2-O 3.25Å; F759-G790 WeakPolarHBondContact CE2-O 3.41Å; F759-G790 VanDerWaalsContact CZ-CA 3.49Å; Q788-G790 PolarHBondContact O-N 2.91Å; Q788-G790 VanDerWaalsContact O-N 3.13Å
791	L	95.4	Very high	95.1	Very high	3 Å²	3	38.8 Å²	38.8	2%	0.016	23%	0.225	C	C	.	.	G	3₁₀ helix	trans	-108.9	11.3	167.5	-67.8	179	0	0	0	112.6	F759 A761 T785 Q788 E789 I953 I993	F759-L791 HydrophobicContact CB-CD1 3.87Å; F759-L791 HydrophobicContact CB-CD2 3.95Å; F759-L791 HydrophobicContact CB-CG 3.78Å; F759-L791 HydrophobicContact CD2-CD2 4.01Å; F759-L791 HydrophobicContact CD2-CG 4.19Å; F759-L791 HydrophobicContact CG-CD2 4.26Å; F759-L791 HydrophobicContact CG-CG 4.05Å; A761-L791 HydrophobicContact CB-CD1 4.26Å; T785-L791 HydrophobicContact CG2-CB 3.79Å; T785-L791 HydrophobicContact CG2-CD1 4.08Å; Q788-L791 HydrophobicContact CB-CD1 4.4Å; Q788-L791 HydrophobicContact CB-CG 4.47Å; Q788-L791 PolarHBondContact O-N 2.91Å; E789-L791 PolarHBondContact O-N 3.22Å; E789-L791 VanDerWaalsContact O-N 3.16Å; L791-I953 HydrophobicContact CB-CD1 4.28Å; L791-I993 HydrophobicContact CD2-CG1 4.29Å
792	Q	94.7	Very high	95	Very high	142 Å²	142	39.2 Å²	39.2	66%	0.664	23%	0.228	S	C	*	.			trans	-65.1	141.1	166.8	-69.5	176.1	18.4	0	0	110.9	E789	E789-Q792 WeakPolarHBondContact O-CB 3.49Å; E789-Q792 VanDerWaalsContact O-CG 3.25Å; E789-Q792 WeakPolarHBondContact O-CG 3.17Å; E789-Q792 PolarHBondContact O-N 3.05Å
793	Y	96.1	Very high	94.9	Very high	21 Å²	21	37 Å²	37	8%	0.082	22%	0.22	C	C	.	.			trans	-148.4	166.8	-175.9	68.6	-83.2	0	0	0	110.4	V942 S944 P946 E952 I953	Y793-V942 HydrophobicContact CD2-CB 4.25Å; Y793-V942 HydrophobicContact CD2-CG1 3.73Å; Y793-V942 HydrophobicContact CE2-CB 4.35Å; Y793-V942 HydrophobicContact CE2-CG1 3.39Å; Y793-V942 HydrophobicContact CG-CG1 4.5Å; Y793-S944 PolarHBondContact OH-OG 3.2Å; Y793-P946 HydrophobicContact CE1-CB 4.15Å; Y793-P946 HydrophobicContact CE2-CB 4.32Å; Y793-P946 HydrophobicContact CE2-CG 4.3Å; Y793-E952 VanDerWaalsContact CE1-O 3.32Å; Y793-E952 WeakPolarHBondContact CE1-O 3.44Å; Y793-E952 PolarHBondContact OH-O 3.2Å; Y793-I953 HydrophobicContact CD1-CD1 4.33Å; Y793-I953 HydrophobicContact CD1-CG1 3.8Å; Y793-I953 HydrophobicContact CE1-CD1 4.5Å; Y793-I953 HydrophobicContact CE1-CG1 3.52Å
794	Q	95.6	Very high	94.9	Very high	100 Å²	100	38 Å²	38	47%	0.467	23%	0.227	S	C	.	.			trans	-117.7	154.9	168.1	-63.6	-175.7	5.2	0	0	110.6	G796 D797 R1000	Q794-G796 PolarHBondContact O-N 2.93Å; Q794-D797 PolarHBondContact N-OD2 2.84Å; Q794-D797 WeakPolarHBondContact O-CB 3.38Å; Q794-D797 PolarHBondContact O-N 3.4Å; Q794-R1000 VanDerWaalsContact CD-NH1 3.31Å; Q794-R1000 VanDerWaalsContact OE1-CZ 3.31Å
795	P	96.5	Very high	94.9	Very high	16 Å²	16	35.1 Å²	35.1	10%	0.104	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.1	124.5	174.9	-25.4	34.4	0	0	0	111.5	A945 F1024 E1027	P795-A945 HydrophobicContact CG-CB 4.25Å; P795-F1024 HydrophobicContact CB-CD1 3.98Å; P795-F1024 HydrophobicContact CB-CE1 4.42Å; P795-E1027 HydrophobicContact CG-CB 4.06Å; P795-E1027 HydrophobicContact CG-CG 4.35Å
796	G	93.8	Very high	94.8	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	106.7	-21.4	-174.4	0	0	0	0	0	115	Q794 A996 F999	Q794-G796 PolarHBondContact O-N 2.93Å; G796-A996 WeakPolarHBondContact O-CB 3.39Å; G796-F999 WeakPolarHBondContact CA-O 3.41Å
797	D	95.8	Very high	95	Very high	4 Å²	4	41.9 Å²	41.9	2%	0.021	23%	0.227	C	C	.	.			trans	-67	161.9	175.3	-66.9	-20.8	0	0	0	112.5	Q794 V942 I993 G995 A996 R1000	Q794-D797 PolarHBondContact N-OD2 2.84Å; Q794-D797 WeakPolarHBondContact O-CB 3.38Å; Q794-D797 PolarHBondContact O-N 3.4Å; D797-V942 WeakPolarHBondContact O-CB 3.41Å; D797-V942 WeakPolarHBondContact O-CG2 3.49Å; D797-V942 PolarHBondContact O-N 3.18Å; D797-I993 HydrophobicContact CB-CG2 4.48Å; D797-G995 WeakPolarHBondContact OD1-CA 3.32Å; D797-A996 PolarHBondContact OD1-N 2.84Å; D797-R1000 IonicContact OD1-CZ 2.71Å; D797-R1000 VanDerWaalsContact OD1-CZ 3.29Å; D797-R1000 IonicContact OD1-NE 2.81Å; D797-R1000 PolarHBondContact OD1-NE 2.97Å; D797-R1000 IonicContact OD1-NH2 2.94Å; D797-R1000 PolarHBondContact OD1-NH2 2.92Å; D797-R1000 IonicContact OD2-CZ 3.9Å; D797-R1000 IonicContact OD2-NE 3.75Å; D797-R1000 IonicContact OD2-NH2 3.1Å; D797-R1000 PolarHBondContact OD2-NH2 3.17Å
798	H	95.8	Very high	95.2	Very high	27 Å²	27	41.1 Å²	41.1	13%	0.125	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	157.9	177.4	-49	97.7	0	0	0	112	Y940 S941 R994 D1158	H798-Y940 CarbonylContact C-O 3.53Å; H798-Y940 VanDerWaalsContact CA-O 3.31Å; H798-Y940 WeakPolarHBondContact CA-O 3.05Å; H798-S941 PolarHBondContact CD2-OG 3.16Å; H798-R994 HydrophobicContact CB-CB 4.38Å; H798-R994 PolarHBondContact N-O 2.82Å; H798-R994 PolarHBondContact O-N 2.69Å; H798-D1158 IonicContact CD2-OD1 3.99Å; H798-D1158 IonicContact CE1-OD1 3.31Å; H798-D1158 IonicContact NE2-OD1 3.87Å; H798-D1158 PolarHBondContact NE2-OD1 3.48Å; H798-D1158 IonicContact NE2-OD2 3.75Å; H798-D1158 PolarHBondContact NE2-OD2 3.42Å
799	I	96.5	Very high	95.3	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	134.6	162.6	-167	173.2	0	0	0	109.9	L783 V801 Y939 Y940 V942 I953 L955 C991 F992 I993	L783-I799 HydrophobicContact CD1-CD1 3.98Å; I799-V801 HydrophobicContact CD1-CG2 4.35Å; I799-V801 HydrophobicContact CG1-CG2 4.21Å; I799-V801 HydrophobicContact CG2-CG2 3.96Å; I799-Y939 VanDerWaalsContact O-CA 3.31Å; I799-Y939 WeakPolarHBondContact O-CA 3.5Å; I799-Y940 PolarHBondContact N-O 3.15Å; I799-Y940 PolarHBondContact O-N 3.31Å; I799-V942 HydrophobicContact CB-CG2 4.37Å; I799-I953 HydrophobicContact CD1-CD1 4.11Å; I799-I953 HydrophobicContact CD1-CG2 4.25Å; I799-L955 HydrophobicContact CG2-CD1 3.79Å; I799-L955 HydrophobicContact CG2-CD2 3.28Å; I799-L955 HydrophobicContact CG2-CG 4.16Å; I799-C991 HydrophobicContact CD1-CB 3.68Å; I799-C991 HydrophobicContact CG1-CB 3.91Å; I799-F992 CarbonylContact C-O 3.56Å; I799-F992 WeakPolarHBondContact CA-O 3.37Å; I799-F992 WeakPolarHBondContact CG1-O 3.48Å; I799-I993 HydrophobicContact CB-CD1 4.27Å; I799-I993 HydrophobicContact CG1-CD1 4.28Å
800	G	95.8	Very high	95.7	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	121.4	164.8	0	0	0	0	0	109.9	C991 F992	G800-C991 CarbonylContact O-C 3.55Å; G800-C991 WeakPolarHBondContact O-CA 3.45Å; G800-C991 WeakPolarHBondContact O-CB 3.15Å; G800-F992 PolarHBondContact N-O 3.02Å; G800-F992 PolarHBondContact O-N 3.4Å
801	V	97.7	Very high	96	Very high	0 Å²	0	35 Å²	35	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	131.9	-177	177.3	0	0	0	0	110.1	I799 P803 P937 R938 Y940 L955 W979 V989 C991	I799-V801 HydrophobicContact CD1-CG2 4.35Å; I799-V801 HydrophobicContact CG1-CG2 4.21Å; I799-V801 HydrophobicContact CG2-CG2 3.96Å; V801-P803 VanDerWaalsContact O-CD 3.25Å; V801-P803 WeakPolarHBondContact O-CD 3.35Å; V801-P937 CarbonylContact O-C 3.55Å; V801-P937 VanDerWaalsContact O-CA 3.23Å; V801-P937 WeakPolarHBondContact O-CA 3.27Å; V801-R938 PolarHBondContact N-O 2.95Å; V801-R938 PolarHBondContact O-N 2.82Å; V801-Y940 HydrophobicContact CB-CE2 4.41Å; V801-Y940 HydrophobicContact CG2-CD2 4.15Å; V801-Y940 HydrophobicContact CG2-CE2 4.44Å; V801-L955 HydrophobicContact CG2-CD1 4.39Å; V801-W979 HydrophobicContact CG1-CH2 4.49Å; V801-W979 HydrophobicContact CG1-CZ3 3.7Å; V801-V989 HydrophobicContact CG1-CG1 3.83Å; V801-C991 HydrophobicContact CG2-CB 4.42Å
802	C	96.4	Very high	96	Very high	9 Å²	9	36.4 Å²	36.4	6%	0.061	20%	0.195	C	C	.	.			trans	-100.3	99.8	-179.4	-65.2	0	0	0	0	111	L750 M758 P990	L750-C802 HydrophobicContact CD1-CB 4.1Å; L750-C802 HydrophobicContact CD2-CB 4.31Å; M758-C802 VanDerWaalsContact SD-SG 3.7Å; C802-P990 HydrophobicContact CB-CB 4.26Å; C802-P990 PolarHBondContact N-O 2.84Å
803	P	96.4	Very high	96	Very high	4 Å²	4	29.7 Å²	29.7	3%	0.026	16%	0.163	C	C	.	.	P	Polyproline II helix	trans	-83.7	157.5	-178.3	37.5	-39.8	0	0	0	112.7	V801 L935 V975 C976 W979	V801-P803 VanDerWaalsContact O-CD 3.25Å; V801-P803 WeakPolarHBondContact O-CD 3.35Å; P803-L935 WeakPolarHBondContact O-CD2 3.33Å; P803-V975 HydrophobicContact CB-CG1 4.11Å; P803-V975 HydrophobicContact CG-CG1 3.94Å; P803-C976 HydrophobicContact CB-CB 3.86Å; P803-C976 HydrophobicContact CG-CB 3.8Å; P803-W979 HydrophobicContact CB-CD2 4.34Å; P803-W979 HydrophobicContact CB-CE3 3.79Å; P803-W979 HydrophobicContact CB-CZ3 4.26Å
804	P	97.4	Very high	96	Very high	22 Å²	22	30 Å²	30	14%	0.143	17%	0.166	C	C	.	.	P	Polyproline II helix	trans	-81.1	154.4	157.8	34.6	-31.5	0	0	0	111.8	T860 F861 V975 W979	P804-T860 CarbonylContact C-O 3.46Å; P804-T860 VanDerWaalsContact CA-O 3.27Å; P804-T860 WeakPolarHBondContact CA-O 3.39Å; P804-T860 HydrophobicContact CB-CG2 3.64Å; P804-F861 HydrophobicContact CB-CD1 4Å; P804-F861 HydrophobicContact CB-CE1 3.84Å; P804-V975 WeakPolarHBondContact O-CG1 3.39Å; P804-W979 HydrophobicContact CG-CD2 4.11Å; P804-W979 HydrophobicContact CG-CG 3.95Å; P804-W979 HydrophobicContact CG-CZ2 4.43Å
805	N	97.5	Very high	95.9	Very high	1 Å²	1	29.6 Å²	29.6	1%	0.005	18%	0.175	C	C	.	.	P	Polyproline II helix	trans	-68.5	151.6	162	-69.5	-48.4	0	0	0	111.1	V810 L859 T860 L863 I865	N805-V810 HydrophobicContact CB-CG2 3.99Å; N805-L859 PolarHBondContact ND2-O 2.84Å; N805-T860 PolarHBondContact N-O 3.36Å; N805-L863 PolarHBondContact ND2-O 2.55Å; N805-I865 HydrophobicContact CB-CD1 3.88Å; N805-I865 HydrophobicContact CB-CG1 4.28Å
806	R	95.7	Very high	95.8	Very high	128 Å²	128	32.2 Å²	32.2	48%	0.483	18%	0.183	S	C	.	.	P	Polyproline II helix	trans	-62.7	126.4	-177.7	-178.6	177.4	175.2	175.6	-2.3	110.9	G808 L809 V810	R806-G808 PolarHBondContact O-N 2.94Å; R806-L809 WeakPolarHBondContact O-CB 3.37Å; R806-L809 PolarHBondContact O-N 3.04Å; R806-V810 PolarHBondContact O-N 3.04Å
807	P	95.4	Very high	95.8	Very high	87 Å²	87	32.9 Å²	32.9	57%	0.565	19%	0.187	S	C	*	.	H	α-helix	trans	-51.5	-45.5	-174.1	-31.9	36.1	0	0	0	115	L809 V810 E811	P807-L809 VanDerWaalsContact C-N 3.27Å; P807-L809 PolarHBondContact O-N 2.72Å; P807-V810 CarbonylContact O-C 3.5Å; P807-V810 WeakPolarHBondContact O-CA 3.25Å; P807-V810 WeakPolarHBondContact O-CB 3.49Å; P807-V810 PolarHBondContact O-N 3.2Å; P807-E811 PolarHBondContact O-N 2.94Å
808	G	94.9	Very high	95.6	Very high	47 Å²	47	35.2 Å²	35.2	49%	0.485	20%	0.198	S	C	.	.	H	α-helix	trans	-61.8	-28.3	178.9	0	0	0	0	0	115	R806 A812	R806-G808 PolarHBondContact O-N 2.94Å; G808-A812 WeakPolarHBondContact O-CB 3.48Å; G808-A812 PolarHBondContact O-N 3.32Å; G808-A812 VanDerWaalsContact O-N 3.16Å
809	L	95.7	Very high	95.1	Very high	35 Å²	35	39.7 Å²	39.7	18%	0.183	22%	0.223	C	C	.	.	H	α-helix	trans	-74.7	-34.3	172.6	-178.6	62.6	0	0	0	111	R806 P807 L813 I865 T866 L912	R806-L809 WeakPolarHBondContact O-CB 3.37Å; R806-L809 PolarHBondContact O-N 3.04Å; P807-L809 VanDerWaalsContact C-N 3.27Å; P807-L809 PolarHBondContact O-N 2.72Å; L809-L813 VanDerWaalsContact O-CB 3.29Å; L809-L813 WeakPolarHBondContact O-CB 3.4Å; L809-L813 PolarHBondContact O-N 3.43Å; L809-I865 HydrophobicContact CD2-CD1 3.88Å; L809-I865 HydrophobicContact CD2-CG1 3.89Å; L809-I865 HydrophobicContact CG-CD1 3.8Å; L809-I865 HydrophobicContact CG-CG1 4.29Å; L809-T866 HydrophobicContact CD2-CG2 3.73Å; L809-L912 HydrophobicContact CD1-CB 3.86Å; L809-L912 HydrophobicContact CD1-CD2 3.68Å; L809-L912 HydrophobicContact CD1-CG 4.45Å
810	V	97.1	Very high	94.8	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-68.8	-43.5	174.6	179.9	0	0	0	0	111.1	N805 R806 P807 L813 L814 L859 I865	N805-V810 HydrophobicContact CB-CG2 3.99Å; R806-V810 PolarHBondContact O-N 3.04Å; P807-V810 CarbonylContact O-C 3.5Å; P807-V810 WeakPolarHBondContact O-CA 3.25Å; P807-V810 WeakPolarHBondContact O-CB 3.49Å; P807-V810 PolarHBondContact O-N 3.2Å; V810-L813 PolarHBondContact O-N 3.28Å; V810-L814 HydrophobicContact CG1-CD1 3.9Å; V810-L814 HydrophobicContact CG1-CG 4.36Å; V810-L814 WeakPolarHBondContact O-CB 3.25Å; V810-L814 WeakPolarHBondContact O-CG 3.45Å; V810-L814 PolarHBondContact O-N 3.41Å; V810-L859 HydrophobicContact CG1-CB 3.99Å; V810-I865 HydrophobicContact CG2-CD1 3.98Å
811	E	96.3	Very high	94.6	Very high	90 Å²	90	44.3 Å²	44.3	42%	0.421	25%	0.252	S	S	.	.	H	α-helix	trans	-60.7	-48.2	174.5	-55.7	-48.5	153.3	0	0	111.8	P807 L813 L814 S815 R856	P807-E811 PolarHBondContact O-N 2.94Å; E811-L813 VanDerWaalsContact C-N 3.35Å; E811-L813 PolarHBondContact O-N 2.94Å; E811-L814 PolarHBondContact O-N 3.28Å; E811-S815 PolarHBondContact O-N 3.25Å; E811-R856 IonicContact OE1-CZ 3.3Å; E811-R856 IonicContact OE1-NH1 3.83Å; E811-R856 PolarHBondContact OE1-NH1 3.31Å; E811-R856 IonicContact OE1-NH2 3.03Å; E811-R856 IonicContact OE2-CZ 2.8Å; E811-R856 VanDerWaalsContact OE2-CZ 3.26Å; E811-R856 IonicContact OE2-NH1 3.65Å; E811-R856 PolarHBondContact OE2-NH1 2.96Å; E811-R856 IonicContact OE2-NH2 3.96Å; E811-R856 PolarHBondContact OE2-NH2 2.95Å
812	A	95.4	Very high	94.2	Very high	31 Å²	31	46.6 Å²	46.6	26%	0.256	27%	0.271	S	S	.	.	H	α-helix	trans	-65.3	-38.3	-178.2	0	0	0	0	0	111.7	G808 S815 L912	G808-A812 WeakPolarHBondContact O-CB 3.48Å; G808-A812 PolarHBondContact O-N 3.32Å; G808-A812 VanDerWaalsContact O-N 3.16Å; A812-S815 PolarHBondContact O-N 3.12Å; A812-S815 PolarHBondContact O-OG 3.16Å; A812-L912 HydrophobicContact CB-CD1 4.28Å; A812-L912 HydrophobicContact CB-CD2 3.5Å
813	L	95.1	Very high	93.8	Very high	1 Å²	1	50.8 Å²	50.8	1%	0.005	30%	0.298	C	S	.	.	H	α-helix	trans	-66.6	-41.5	171.4	-178.8	60.4	0	0	0	112.4	L809 V810 E811 S815 R816 V817 L859 I865 L911 L915 L923	L809-L813 VanDerWaalsContact O-CB 3.29Å; L809-L813 WeakPolarHBondContact O-CB 3.4Å; L809-L813 PolarHBondContact O-N 3.43Å; V810-L813 PolarHBondContact O-N 3.28Å; E811-L813 VanDerWaalsContact C-N 3.35Å; E811-L813 PolarHBondContact O-N 2.94Å; L813-S815 VanDerWaalsContact C-N 3.29Å; L813-S815 PolarHBondContact O-N 3.08Å; L813-R816 PolarHBondContact O-N 3.39Å; L813-V817 PolarHBondContact O-N 3.02Å; L813-L859 HydrophobicContact CD2-CD1 4.14Å; L813-L859 HydrophobicContact CD2-CD2 3.93Å; L813-L859 HydrophobicContact CG-CD1 4.39Å; L813-I865 HydrophobicContact CD2-CB 3.89Å; L813-I865 HydrophobicContact CD2-CD1 4.23Å; L813-I865 HydrophobicContact CD2-CG2 3.57Å; L813-L911 HydrophobicContact CD1-CD2 3.99Å; L813-L911 HydrophobicContact CD1-CG 4.16Å; L813-L911 HydrophobicContact CD2-CD2 4.05Å; L813-L915 HydrophobicContact CD1-CD1 3.44Å; L813-L915 VanDerWaalsContact CD1-CD1 3.44Å; L813-L923 HydrophobicContact CD1-CD2 4.36Å
814	L	95	Very high	93.3	Very high	27 Å²	27	56.6 Å²	56.6	14%	0.141	33%	0.334	C	S	.	.	H	α-helix	trans	-60.5	-36.6	177.1	-78.2	167.9	0	0	0	112.3	V810 E811 R816 V817 L855 R856 L859	V810-L814 HydrophobicContact CG1-CD1 3.9Å; V810-L814 HydrophobicContact CG1-CG 4.36Å; V810-L814 WeakPolarHBondContact O-CB 3.25Å; V810-L814 WeakPolarHBondContact O-CG 3.45Å; V810-L814 PolarHBondContact O-N 3.41Å; E811-L814 PolarHBondContact O-N 3.28Å; L814-R816 PolarHBondContact O-N 3.17Å; L814-V817 WeakPolarHBondContact O-CB 3.32Å; L814-V817 PolarHBondContact O-N 2.72Å; L814-V817 VanDerWaalsContact O-N 3.1Å; L814-L855 HydrophobicContact CD2-CB 4.41Å; L814-L855 HydrophobicContact CD2-CD2 3.72Å; L814-L855 HydrophobicContact CD2-CG 3.8Å; L814-R856 HydrophobicContact CD1-CB 4.05Å; L814-L859 HydrophobicContact CD2-CD1 3.79Å; L814-L859 HydrophobicContact CG-CD1 4.08Å
815	S	94.3	Very high	93	Very high	93 Å²	93	59.1 Å²	59.1	65%	0.65	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.8	-9.2	175	73.6	0	0	0	0	114.8	E811 A812 L813	E811-S815 PolarHBondContact O-N 3.25Å; A812-S815 PolarHBondContact O-N 3.12Å; A812-S815 PolarHBondContact O-OG 3.16Å; L813-S815 VanDerWaalsContact C-N 3.29Å; L813-S815 PolarHBondContact O-N 3.08Å
816	R	94.4	Very high	92.8	Very high	70 Å²	70	60.1 Å²	60.1	26%	0.264	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.7	-1	172.4	-57.9	-64.5	-68.8	113.8	3.4	112.9	L813 L814 L912 L915 P919	L813-R816 PolarHBondContact O-N 3.39Å; L814-R816 PolarHBondContact O-N 3.17Å; R816-L912 HydrophobicContact CG-CD1 4.02Å; R816-L915 HydrophobicContact CB-CD1 4.29Å; R816-L915 HydrophobicContact CG-CB 4.48Å; R816-L915 PolarHBondContact NE-O 3.3Å; R816-L915 PolarHBondContact NH2-O 2.98Å; R816-P919 PolarHBondContact NH2-O 3.14Å
817	V	93.4	Very high	92.7	Very high	14 Å²	14	54.3 Å²	54.3	9%	0.085	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	131.3	177.6	178.2	0	0	0	0	110.5	L813 L814 P820 L855 L923 A925 L928	L813-V817 PolarHBondContact O-N 3.02Å; L814-V817 WeakPolarHBondContact O-CB 3.32Å; L814-V817 PolarHBondContact O-N 2.72Å; L814-V817 VanDerWaalsContact O-N 3.1Å; V817-P820 HydrophobicContact CB-CB 4.4Å; V817-P820 HydrophobicContact CG1-CB 3.99Å; V817-L855 HydrophobicContact CG1-CD2 3.96Å; V817-L855 HydrophobicContact CG2-CD2 4.28Å; V817-L923 WeakPolarHBondContact CA-O 3.34Å; V817-A925 HydrophobicContact CG1-CB 3.97Å; V817-L928 HydrophobicContact CG2-CD1 3.66Å
818	E	90.9	Very high	92.6	Very high	54 Å²	54	50.4 Å²	50.4	25%	0.252	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	136.6	171	-169	-162.7	178.8	0	0	110.1	R732 L923	R732-E818 VanDerWaalsContact CZ-CD 3.47Å; R732-E818 IonicContact CZ-OE1 3.68Å; R732-E818 IonicContact CZ-OE2 3.66Å; R732-E818 VanDerWaalsContact CZ-OE2 3.24Å; R732-E818 IonicContact NH1-OE1 3.13Å; R732-E818 PolarHBondContact NH1-OE1 3.42Å; R732-E818 IonicContact NH1-OE2 2.67Å; R732-E818 PolarHBondContact NH1-OE2 3.19Å; R732-E818 IonicContact NH2-OE1 3.71Å; R732-E818 PolarHBondContact NH2-OE1 3.08Å; R732-E818 IonicContact NH2-OE2 2.86Å; R732-E818 PolarHBondContact NH2-OE2 2.91Å; E818-L923 PolarHBondContact N-O 3.49Å
819	D	86.6	Confident	92.3	Very high	121 Å²	121	48.7 Å²	48.7	65%	0.647	28%	0.284	S	S	*	.	S	Bend	trans	44.3	54.3	-178	-54.8	-34.9	0	0	0	114.5	R732	R732-D819 IonicContact NH2-OD2 2.72Å; R732-D819 PolarHBondContact NH2-OD2 2.91Å
820	P	89.6	Confident	92.1	Very high	72 Å²	72	48.4 Å²	48.4	47%	0.468	28%	0.282	S	S	.	.	P	Polyproline II helix	trans	-66.6	141.8	-178.8	27.8	-33.7	0	0	0	111.3	V817 L855	V817-P820 HydrophobicContact CB-CB 4.4Å; V817-P820 HydrophobicContact CG1-CB 3.99Å; P820-L855 HydrophobicContact CB-CD2 4.47Å
821	P	90.9	Very high	91.6	Very high	24 Å²	24	51.5 Å²	51.5	16%	0.156	30%	0.296	C	S	.	.	P	Polyproline II helix	trans	-64.2	162.9	172.4	30.8	-36.7	0	0	0	111	L737 V827 L855	L737-P821 HydrophobicContact CD1-CB 4.03Å; L737-P821 HydrophobicContact CD1-CG 3.78Å; P821-V827 HydrophobicContact CB-CG1 3.88Å; P821-V827 HydrophobicContact CG-CG1 4.28Å; P821-L855 HydrophobicContact CG-CB 4Å
822	A	89.8	Confident	91	Very high	49 Å²	49	49 Å²	49	41%	0.405	29%	0.286	S	S	.	.	P	Polyproline II helix	trans	-56.8	135.5	-177.4	0	0	0	0	0	111	T824 E825	A822-T824 PolarHBondContact O-N 3.36Å; A822-E825 HydrophobicContact CB-CB 3.94Å; A822-E825 WeakPolarHBondContact O-CB 3.36Å; A822-E825 PolarHBondContact O-N 2.85Å
823	P	87.3	Confident	90	Very high	96 Å²	96	52.6 Å²	52.6	62%	0.623	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.8	-20.9	-168.1	-29.2	36	0	0	0	116.4
824	T	87.4	Confident	88.4	Confident	126 Å²	126	60.8 Å²	60.8	77%	0.773	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.1	-5.9	179.5	49.2	0	0	0	0	114	A822 P826	A822-T824 PolarHBondContact O-N 3.36Å; T824-P826 WeakPolarHBondContact O-CD 3.47Å
825	E	89.9	Confident	86.5	Confident	75 Å²	75	61.4 Å²	61.4	35%	0.35	35%	0.346	S	S	.	.			trans	-85.3	119.4	-175.8	-178.5	174.6	-117.4	0	0	111.2	A739 A822 V827	A739-E825 HydrophobicContact CB-CG 4.03Å; A739-E825 VanDerWaalsContact CB-OE1 3.31Å; A739-E825 WeakPolarHBondContact CB-OE1 3.16Å; A822-E825 HydrophobicContact CB-CB 3.94Å; A822-E825 WeakPolarHBondContact O-CB 3.36Å; A822-E825 PolarHBondContact O-N 2.85Å; E825-V827 HydrophobicContact CG-CG1 4.26Å
826	P	93.8	Very high	84.2	Confident	23 Å²	23	61.2 Å²	61.2	15%	0.149	35%	0.345	C	S	.	.			trans	-69.8	130.5	170.1	-13.1	29.3	0	0	0	109.3	Q740 E742 T824	Q740-P826 HydrophobicContact CB-CB 4.41Å; Q740-P826 PolarHBondContact N-O 3.18Å; E742-P826 WeakPolarHBondContact O-CB 3.27Å; T824-P826 WeakPolarHBondContact O-CD 3.47Å
827	V	94.2	Very high	81.8	Confident	6 Å²	6	64.7 Å²	64.7	4%	0.036	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	150.2	178.5	-62.5	0	0	0	0	111.2	L737 S738 P821 E825 C853 L929	L737-V827 HydrophobicContact CB-CB 4.25Å; L737-V827 HydrophobicContact CB-CG1 4.32Å; L737-V827 HydrophobicContact CD1-CG1 4.43Å; L737-V827 HydrophobicContact CD1-CG2 4.28Å; L737-V827 HydrophobicContact CD2-CG2 4.46Å; S738-V827 WeakPolarHBondContact O-CA 3.37Å; P821-V827 HydrophobicContact CB-CG1 3.88Å; P821-V827 HydrophobicContact CG-CG1 4.28Å; E825-V827 HydrophobicContact CG-CG1 4.26Å; V827-C853 WeakPolarHBondContact CG2-O 3.42Å; V827-C853 PolarHBondContact N-O 3.23Å; V827-C853 PolarHBondContact O-N 3.23Å; V827-L929 HydrophobicContact CG2-CD1 4.34Å
828	A	91.8	Very high	79.9	Confident	5 Å²	5	68.3 Å²	68.3	4%	0.041	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	149.6	161.4	0	0	0	0	0	109.4	L737 S738 Q740 R846	L737-A828 WeakPolarHBondContact CA-O 3.36Å; S738-A828 PolarHBondContact N-O 3.33Å; S738-A828 PolarHBondContact O-N 2.9Å; Q740-A828 HydrophobicContact CG-CB 3.72Å; A828-R846 HydrophobicContact CB-CG 4.12Å
829	V	90.5	Very high	78.2	Confident	11 Å²	11	67.5 Å²	67.5	7%	0.067	42%	0.423	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	134.7	168.6	178.3	0	0	0	0	108.7	Y735 L737 R846 D847 L929 T930	Y735-V829 HydrophobicContact CD1-CG1 4.06Å; L737-V829 HydrophobicContact CD2-CG2 4.1Å; V829-R846 WeakPolarHBondContact O-CA 3.48Å; V829-D847 HydrophobicContact CB-CB 4.13Å; V829-D847 HydrophobicContact CG1-CB 4.19Å; V829-D847 PolarHBondContact O-N 2.93Å; V829-L929 HydrophobicContact CG2-CB 3.59Å; V829-L929 HydrophobicContact CG2-CD1 3.66Å; V829-L929 HydrophobicContact CG2-CG 4.28Å; V829-T930 HydrophobicContact CB-CG2 4.5Å; V829-T930 HydrophobicContact CG1-CG2 3.73Å; V829-T930 HydrophobicContact CG2-CG2 4.33Å
830	E	90.9	Very high	76.8	Confident	29 Å²	29	66.9 Å²	66.9	14%	0.136	43%	0.426	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	134.3	166.5	-71	173.4	-170.1	0	0	109.9	Y735 R736 S738 W844 V845 R846	Y735-E830 CarbonylContact C-O 3.57Å; Y735-E830 VanDerWaalsContact CA-O 3.31Å; Y735-E830 WeakPolarHBondContact CA-O 3.42Å; R736-E830 HydrophobicContact CG-CB 3.98Å; R736-E830 IonicContact CZ-OE2 3.26Å; R736-E830 PolarHBondContact N-O 3.11Å; R736-E830 IonicContact NE-OE2 2.73Å; R736-E830 PolarHBondContact NE-OE2 3.42Å; R736-E830 IonicContact NH2-OE2 3.52Å; R736-E830 PolarHBondContact NH2-OE2 2.82Å; R736-E830 PolarHBondContact O-N 3.27Å; S738-E830 WeakPolarHBondContact CB-OE1 3.37Å; S738-E830 VanDerWaalsContact OG-CD 3.23Å; S738-E830 PolarHBondContact OG-OE1 3.34Å; E830-W844 HydrophobicContact CB-CB 4.31Å; E830-W844 HydrophobicContact CB-CE3 4.04Å; E830-V845 CarbonylContact C-O 3.53Å; E830-V845 WeakPolarHBondContact CA-O 3.24Å; E830-R846 HydrophobicContact CG-CB 4.38Å
831	Q	86.2	Confident	75.4	Confident	64 Å²	64	69 Å²	69	30%	0.299	44%	0.439	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	134.5	171.6	-171.3	-176.7	101.3	0	0	109.3	R734 Y735 E833 V845	R734-Q831 WeakPolarHBondContact O-CA 3.48Å; Y735-Q831 HydrophobicContact CD1-CB 4.16Å; Y735-Q831 HydrophobicContact CD1-CG 4.15Å; Y735-Q831 HydrophobicContact CE1-CB 4.15Å; Y735-Q831 HydrophobicContact CE1-CG 3.85Å; Y735-Q831 VanDerWaalsContact CE1-NE2 3.26Å; Y735-Q831 PolarHBondContact OH-NE2 3.41Å; Y735-Q831 VanDerWaalsContact OH-NE2 3.13Å; Q831-E833 PolarHBondContact O-N 3.09Å; Q831-V845 PolarHBondContact N-O 3.02Å; Q831-V845 PolarHBondContact O-N 3.49Å
832	L	84.3	Confident	74.4	Confident	39 Å²	39	70.9 Å²	70.9	20%	0.204	45%	0.452	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	125.5	169.3	-176	65.8	0	0	0	108.7	R734 P842 W844	R734-L832 PolarHBondContact NH1-O 3.08Å; R734-L832 PolarHBondContact NH2-O 2.93Å; R734-L832 PolarHBondContact O-N 3.44Å; L832-P842 HydrophobicContact CD1-CB 4.1Å; L832-P842 WeakPolarHBondContact CD1-O 3.42Å; L832-P842 HydrophobicContact CG-CB 4.42Å; L832-W844 HydrophobicContact CB-CD2 4.16Å; L832-W844 HydrophobicContact CB-CE3 3.91Å; L832-W844 HydrophobicContact CB-CH2 3.91Å; L832-W844 HydrophobicContact CB-CZ2 4.15Å; L832-W844 HydrophobicContact CB-CZ3 3.78Å; L832-W844 HydrophobicContact CD1-CD2 4.12Å; L832-W844 HydrophobicContact CD1-CG 4.35Å; L832-W844 HydrophobicContact CD1-CZ2 4.29Å; L832-W844 VanDerWaalsContact N-CE3 3.34Å
833	E	73.4	Confident	73.9	Confident	106 Å²	106	70.2 Å²	70.2	50%	0.495	45%	0.449	S	S	.	.			trans	-68.3	177.6	176.4	-73.6	-154.9	131.5	0	0	112.4	R734 Q831 G843 V845	R734-E833 PolarHBondContact NH1-O 3.48Å; Q831-E833 PolarHBondContact O-N 3.09Å; E833-G843 PolarHBondContact N-O 2.91Å; E833-V845 HydrophobicContact CG-CB 4.19Å; E833-V845 HydrophobicContact CG-CG2 3.69Å
834	K	61.4	Low	73.9	Confident	172 Å²	172	69.9 Å²	69.9	75%	0.748	44%	0.435	S	S	*	.	P	Polyproline II helix	trans	-103.5	117.3	163.4	-73.1	-171.3	178.3	-176.8	0	107.6	S836	K834-S836 PolarHBondContact O-N 3.21Å
835	G	54.5	Low	73.8	Confident	41 Å²	41	67.1 Å²	67.1	42%	0.423	42%	0.419	S	S	.	.	P	Polyproline II helix	trans	-56.1	131.8	174.6	0	0	0	0	0	110.2
836	S	47.2	Very low	73.5	Confident	89 Å²	89	68.8 Å²	68.8	62%	0.622	42%	0.421	S	S	*	.	P	Polyproline II helix	trans	-72	146.2	171.4	-67.3	0	0	0	0	109.6	K834 G838 G839	K834-S836 PolarHBondContact O-N 3.21Å; S836-G838 PolarHBondContact O-N 2.82Å; S836-G838 VanDerWaalsContact O-N 3.09Å; S836-G839 PolarHBondContact O-N 3.43Å
837	P	43	Very low	72.9	Confident	142 Å²	142	69.6 Å²	69.6	92%	0.922	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.9	117.3	172.5	-23.3	34.2	0	0	0	110.5	G839	P837-G839 VanDerWaalsContact C-N 3.34Å
838	G	53.5	Low	72.3	Confident	91 Å²	91	73.8 Å²	73.8	94%	0.938	45%	0.452	S	S	*	.	T	Hydrogen-bonded Turn	trans	81	3.3	-175	0	0	0	0	0	115.9	S836	S836-G838 PolarHBondContact O-N 2.82Å; S836-G838 VanDerWaalsContact O-N 3.09Å
839	G	56.9	Low	71.8	Confident	37 Å²	37	76.8 Å²	76.8	38%	0.381	46%	0.462	S	S	.	.	S	Bend	trans	-85	176	172.2	0	0	0	0	0	113.6	S836 P837	S836-G839 PolarHBondContact O-N 3.43Å; P837-G839 VanDerWaalsContact C-N 3.34Å
840	P	56.2	Low	71.8	Confident	108 Å²	108	77.1 Å²	77.1	70%	0.701	46%	0.464	S	S	*	.			trans	-59.7	159.2	170	27.2	-34.9	0	0	0	111.8
841	P	61.2	Low	71.8	Confident	116 Å²	116	76.4 Å²	76.4	75%	0.753	46%	0.462	S	S	*	.			trans	-57.9	147.6	177.8	25	-34.7	0	0	0	111.5	G843	P841-G843 PolarHBondContact O-N 3.48Å; P841-G843 VanDerWaalsContact O-N 3.08Å
842	P	68.3	Low	72.1	Confident	64 Å²	64	74.5 Å²	74.5	42%	0.416	46%	0.455	S	S	.	.			trans	-59.4	115	-174	22.9	-33.2	0	0	0	111.8	L832	L832-P842 HydrophobicContact CD1-CB 4.1Å; L832-P842 WeakPolarHBondContact CD1-O 3.42Å; L832-P842 HydrophobicContact CG-CB 4.42Å
843	G	80.3	Confident	72.6	Confident	34 Å²	34	72.8 Å²	72.8	35%	0.351	45%	0.446	S	S	.	.			trans	-76.3	160.5	175.2	0	0	0	0	0	112.7	E833 P841	E833-G843 PolarHBondContact N-O 2.91Å; P841-G843 PolarHBondContact O-N 3.48Å; P841-G843 VanDerWaalsContact O-N 3.08Å
844	W	87	Confident	73.7	Confident	89 Å²	89	68.3 Å²	68.3	34%	0.337	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	123.5	162.2	-70.3	94.7	0	0	0	108.4	R736 E830 L832	R736-W844 HydrophobicContact CB-CE3 4.48Å; R736-W844 HydrophobicContact CB-CH2 4.13Å; R736-W844 HydrophobicContact CB-CZ3 3.97Å; R736-W844 HydrophobicContact CG-CD2 4.13Å; R736-W844 HydrophobicContact CG-CE3 3.67Å; R736-W844 HydrophobicContact CG-CH2 4.12Å; R736-W844 HydrophobicContact CG-CZ3 3.66Å; E830-W844 HydrophobicContact CB-CB 4.31Å; E830-W844 HydrophobicContact CB-CE3 4.04Å; L832-W844 HydrophobicContact CB-CD2 4.16Å; L832-W844 HydrophobicContact CB-CE3 3.91Å; L832-W844 HydrophobicContact CB-CH2 3.91Å; L832-W844 HydrophobicContact CB-CZ2 4.15Å; L832-W844 HydrophobicContact CB-CZ3 3.78Å; L832-W844 HydrophobicContact CD1-CD2 4.12Å; L832-W844 HydrophobicContact CD1-CG 4.35Å; L832-W844 HydrophobicContact CD1-CZ2 4.29Å; L832-W844 VanDerWaalsContact N-CE3 3.34Å
845	V	84.8	Confident	75.3	Confident	69 Å²	69	60.4 Å²	60.4	42%	0.418	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	133	-179.9	175.4	0	0	0	0	108.7	E830 Q831 E833 D847	E830-V845 CarbonylContact C-O 3.53Å; E830-V845 WeakPolarHBondContact CA-O 3.24Å; Q831-V845 PolarHBondContact N-O 3.02Å; Q831-V845 PolarHBondContact O-N 3.49Å; E833-V845 HydrophobicContact CG-CB 4.19Å; E833-V845 HydrophobicContact CG-CG2 3.69Å; V845-D847 PolarHBondContact O-N 2.95Å
846	R	84.1	Confident	77.3	Confident	109 Å²	109	62.4 Å²	62.4	41%	0.411	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66	128.6	-179.9	177.1	167.9	156.7	-169.4	-19.5	110.7	A828 V829 E830 P848	A828-R846 HydrophobicContact CB-CG 4.12Å; V829-R846 WeakPolarHBondContact O-CA 3.48Å; E830-R846 HydrophobicContact CG-CB 4.38Å; R846-P848 WeakPolarHBondContact O-CD 3.26Å
847	D	80.7	Confident	79.6	Confident	40 Å²	40	60.6 Å²	60.6	21%	0.214	37%	0.368	C	S	.	.			trans	-72.7	119.1	173.1	-170.1	-27.1	0	0	0	108.8	V829 V845 R849	V829-D847 HydrophobicContact CB-CB 4.13Å; V829-D847 HydrophobicContact CG1-CB 4.19Å; V829-D847 PolarHBondContact O-N 2.93Å; V845-D847 PolarHBondContact O-N 2.95Å; D847-R849 PolarHBondContact O-N 3.11Å; D847-R849 WeakPolarHBondContact OD1-CB 3.05Å; D847-R849 PolarHBondContact OD1-N 3.41Å
848	P	81.1	Confident	82.1	Confident	95 Å²	95	53.9 Å²	53.9	62%	0.617	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.6	-0	-178.7	33.5	-36.8	0	0	0	113.3	H752 R846 L850	H752-P848 PolarHBondContact NE2-O 3.23Å; R846-P848 WeakPolarHBondContact O-CD 3.26Å; P848-L850 VanDerWaalsContact C-N 3.29Å; P848-L850 PolarHBondContact O-N 3.24Å
849	R	82.9	Confident	84.2	Confident	67 Å²	67	49.5 Å²	49.5	25%	0.253	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.3	-38	-174.8	-179.2	-173.4	162.9	158.7	3	113.8	D847 T930 L932 L934	D847-R849 PolarHBondContact O-N 3.11Å; D847-R849 WeakPolarHBondContact OD1-CB 3.05Å; D847-R849 PolarHBondContact OD1-N 3.41Å; R849-T930 PolarHBondContact NH1-O 3.15Å; R849-L932 VanDerWaalsContact CZ-O 3.24Å; R849-L932 PolarHBondContact NH1-O 3.45Å; R849-L932 PolarHBondContact NH2-O 3.25Å; R849-L934 VanDerWaalsContact NH2-CD2 3.33Å
850	L	89.6	Confident	86.1	Confident	18 Å²	18	48.7 Å²	48.7	9%	0.094	27%	0.267	C	S	.	.	S	Bend	trans	-127	149.4	-178	-65.5	178	0	0	0	110.8	V753 P848 A858 F862 L863 L929 L934	V753-L850 HydrophobicContact CG2-CD2 4.1Å; P848-L850 VanDerWaalsContact C-N 3.29Å; P848-L850 PolarHBondContact O-N 3.24Å; L850-A858 HydrophobicContact CD1-CB 4.43Å; L850-F862 HydrophobicContact CD2-CB 3.77Å; L850-F862 HydrophobicContact CD2-CD2 4.39Å; L850-F862 HydrophobicContact CD2-CG 4.25Å; L850-L863 HydrophobicContact CD1-CD2 4.38Å; L850-L929 HydrophobicContact CD1-CB 4.3Å; L850-L929 HydrophobicContact CD1-CD2 3.95Å; L850-L934 HydrophobicContact CD2-CD2 4.06Å
851	P	91.8	Very high	88.1	Confident	15 Å²	15	46.2 Å²	46.2	10%	0.097	25%	0.246	C	C	.	.			trans	-67.5	163.4	167.2	32.5	-37.5	0	0	0	110.9	L744 C853 F862	L744-P851 HydrophobicContact CD1-CB 4.03Å; L744-P851 HydrophobicContact CD1-CG 3.7Å; P851-C853 PolarHBondContact O-N 3.31Å; P851-C853 PolarHBondContact O-SG 2.78Å; P851-F862 HydrophobicContact CG-CD2 4.28Å; P851-F862 HydrophobicContact CG-CE2 3.54Å; P851-F862 HydrophobicContact CG-CZ 3.76Å
852	P	92.3	Very high	89.7	Confident	23 Å²	23	40.7 Å²	40.7	15%	0.149	21%	0.21	C	C	.	.	S	Bend	trans	-56.9	123.2	167.5	-23.4	36.3	0	0	0	110.4	Q740	Q740-P852 HydrophobicContact CB-CB 3.97Å; Q740-P852 HydrophobicContact CG-CB 4.02Å; Q740-P852 HydrophobicContact CG-CG 4.37Å
853	C	94.3	Very high	91	Very high	4 Å²	4	37.6 Å²	37.6	3%	0.027	19%	0.19	C	C	.	.	B	Isolated β-bridge	trans	-160.7	158.5	-179.4	61.6	0	0	0	0	110.7	L744 V827 P851 Q857 F862	L744-C853 HydrophobicContact CB-CB 3.98Å; L744-C853 HydrophobicContact CD1-CB 4.33Å; L744-C853 HydrophobicContact CD2-CB 3.89Å; L744-C853 HydrophobicContact CG-CB 4.28Å; V827-C853 WeakPolarHBondContact CG2-O 3.42Å; V827-C853 PolarHBondContact N-O 3.23Å; V827-C853 PolarHBondContact O-N 3.23Å; P851-C853 PolarHBondContact O-N 3.31Å; P851-C853 PolarHBondContact O-SG 2.78Å; C853-Q857 HydrophobicContact CB-CB 3.9Å; C853-F862 HydrophobicContact CB-CE2 4.42Å
854	T	95.7	Very high	91.6	Very high	11 Å²	11	36.5 Å²	36.5	7%	0.067	18%	0.176	C	C	.	.			trans	-68.8	154.6	171.3	75.6	0	0	0	0	109.9	R856 Q857 A858	T854-R856 PolarHBondContact O-N 3.48Å; T854-Q857 WeakPolarHBondContact O-CA 3.32Å; T854-Q857 WeakPolarHBondContact O-CB 3.4Å; T854-Q857 PolarHBondContact O-N 3.19Å; T854-Q857 WeakPolarHBondContact OG1-CG 3.38Å; T854-Q857 PolarHBondContact OG1-N 2.86Å; T854-A858 PolarHBondContact O-N 3.44Å
855	L	95.3	Very high	92.1	Very high	7 Å²	7	32.4 Å²	32.4	4%	0.037	16%	0.16	C	C	.	.	H	α-helix	trans	-55.5	-37.3	177	179.1	62.2	0	0	0	111.8	L814 V817 P820 P821 A858 L859 A925 L929	L814-L855 HydrophobicContact CD2-CB 4.41Å; L814-L855 HydrophobicContact CD2-CD2 3.72Å; L814-L855 HydrophobicContact CD2-CG 3.8Å; V817-L855 HydrophobicContact CG1-CD2 3.96Å; V817-L855 HydrophobicContact CG2-CD2 4.28Å; P820-L855 HydrophobicContact CB-CD2 4.47Å; P821-L855 HydrophobicContact CG-CB 4Å; L855-A858 PolarHBondContact O-N 3.37Å; L855-L859 HydrophobicContact CD1-CD1 4.2Å; L855-L859 HydrophobicContact CD1-CG 4.26Å; L855-L859 HydrophobicContact CG-CD1 4.08Å; L855-L859 WeakPolarHBondContact O-CG 3.38Å; L855-L859 PolarHBondContact O-N 3.31Å; L855-A925 HydrophobicContact CD1-CB 4.36Å; L855-A925 HydrophobicContact CD2-CB 3.8Å; L855-L929 HydrophobicContact CD1-CD1 4.43Å; L855-L929 HydrophobicContact CD1-CD2 3.8Å; L855-L929 HydrophobicContact CD1-CG 4.04Å
856	R	96.4	Very high	92.5	Very high	82 Å²	82	30.4 Å²	30.4	31%	0.309	15%	0.149	S	C	.	.	H	α-helix	trans	-55.5	-49	170.8	169.2	179.2	-57	-66	4	112.4	E811 L814 T854 L859 T860	E811-R856 IonicContact OE1-CZ 3.3Å; E811-R856 IonicContact OE1-NH1 3.83Å; E811-R856 PolarHBondContact OE1-NH1 3.31Å; E811-R856 IonicContact OE1-NH2 3.03Å; E811-R856 IonicContact OE2-CZ 2.8Å; E811-R856 VanDerWaalsContact OE2-CZ 3.26Å; E811-R856 IonicContact OE2-NH1 3.65Å; E811-R856 PolarHBondContact OE2-NH1 2.96Å; E811-R856 IonicContact OE2-NH2 3.96Å; E811-R856 PolarHBondContact OE2-NH2 2.95Å; L814-R856 HydrophobicContact CD1-CB 4.05Å; T854-R856 PolarHBondContact O-N 3.48Å; R856-L859 PolarHBondContact O-N 3.49Å; R856-T860 VanDerWaalsContact O-CB 3.31Å; R856-T860 WeakPolarHBondContact O-CB 3.49Å; R856-T860 PolarHBondContact O-N 3.45Å; R856-T860 PolarHBondContact O-OG1 2.82Å
857	Q	96.4	Very high	92.8	Very high	52 Å²	52	28 Å²	28	24%	0.243	15%	0.148	C	C	.	.	H	α-helix	trans	-64.6	-40.7	178.5	-74	169.7	-25.7	0	0	111.8	L744 C853 T854 T860 F861	L744-Q857 HydrophobicContact CD2-CB 3.91Å; L744-Q857 HydrophobicContact CD2-CG 4.21Å; C853-Q857 HydrophobicContact CB-CB 3.9Å; T854-Q857 WeakPolarHBondContact O-CA 3.32Å; T854-Q857 WeakPolarHBondContact O-CB 3.4Å; T854-Q857 PolarHBondContact O-N 3.19Å; T854-Q857 WeakPolarHBondContact OG1-CG 3.38Å; T854-Q857 PolarHBondContact OG1-N 2.86Å; Q857-T860 PolarHBondContact O-N 3.46Å; Q857-F861 HydrophobicContact CB-CD2 4.38Å; Q857-F861 WeakPolarHBondContact O-CD2 3.39Å; Q857-F861 PolarHBondContact O-N 3.06Å
858	A	95.9	Very high	93.2	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	15%	0.149	C	C	.	.	I	π-helix	trans	-60.5	-48.2	176.3	0	0	0	0	0	112.4	L850 T854 L855 T860 F862 L863 L929	L850-A858 HydrophobicContact CD1-CB 4.43Å; T854-A858 PolarHBondContact O-N 3.44Å; L855-A858 PolarHBondContact O-N 3.37Å; A858-T860 VanDerWaalsContact C-N 3.28Å; A858-T860 PolarHBondContact O-N 2.92Å; A858-F862 PolarHBondContact O-N 3.17Å; A858-L863 HydrophobicContact CB-CD1 4.15Å; A858-L863 PolarHBondContact O-N 2.97Å; A858-L929 HydrophobicContact CB-CD2 3.38Å
859	L	97.1	Very high	93.6	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	12%	0.121	C	C	.	.	I	π-helix	trans	-70.5	-21.4	177	-63.6	174.1	0	0	0	113.1	N805 V810 L813 L814 L855 R856 L863 I865 L928 L932	N805-L859 PolarHBondContact ND2-O 2.84Å; V810-L859 HydrophobicContact CG1-CB 3.99Å; L813-L859 HydrophobicContact CD2-CD1 4.14Å; L813-L859 HydrophobicContact CD2-CD2 3.93Å; L813-L859 HydrophobicContact CG-CD1 4.39Å; L814-L859 HydrophobicContact CD2-CD1 3.79Å; L814-L859 HydrophobicContact CG-CD1 4.08Å; L855-L859 HydrophobicContact CD1-CD1 4.2Å; L855-L859 HydrophobicContact CD1-CG 4.26Å; L855-L859 HydrophobicContact CG-CD1 4.08Å; L855-L859 WeakPolarHBondContact O-CG 3.38Å; L855-L859 PolarHBondContact O-N 3.31Å; R856-L859 PolarHBondContact O-N 3.49Å; L859-L863 HydrophobicContact CD2-CD1 4.11Å; L859-I865 HydrophobicContact CD2-CG2 3.84Å; L859-L928 HydrophobicContact CD2-CD1 4.46Å; L859-L932 HydrophobicContact CD2-CD1 4.18Å
860	T	97.4	Very high	93.6	Very high	19 Å²	19	22.3 Å²	22.3	12%	0.117	12%	0.123	C	C	.	.	I	π-helix	trans	-81.7	-49.7	175	-56.7	0	0	0	0	111.8	P804 N805 R856 Q857 A858	P804-T860 CarbonylContact C-O 3.46Å; P804-T860 VanDerWaalsContact CA-O 3.27Å; P804-T860 WeakPolarHBondContact CA-O 3.39Å; P804-T860 HydrophobicContact CB-CG2 3.64Å; N805-T860 PolarHBondContact N-O 3.36Å; R856-T860 VanDerWaalsContact O-CB 3.31Å; R856-T860 WeakPolarHBondContact O-CB 3.49Å; R856-T860 PolarHBondContact O-N 3.45Å; R856-T860 PolarHBondContact O-OG1 2.82Å; Q857-T860 PolarHBondContact O-N 3.46Å; A858-T860 VanDerWaalsContact C-N 3.28Å; A858-T860 PolarHBondContact O-N 2.92Å
861	F	97	Very high	93.4	Very high	56 Å²	56	23 Å²	23	25%	0.246	13%	0.129	C	C	.	.	I	π-helix	trans	-112.7	-22.8	-164.1	-60.4	-71.9	0	0	0	115.6	L746 P804 Q857	L746-F861 HydrophobicContact CD1-CB 3.72Å; L746-F861 HydrophobicContact CD1-CD1 3.67Å; L746-F861 HydrophobicContact CD1-CD2 3.92Å; L746-F861 HydrophobicContact CD1-CE1 4.22Å; L746-F861 HydrophobicContact CD1-CE2 4.46Å; L746-F861 HydrophobicContact CD1-CG 3.5Å; L746-F861 VanDerWaalsContact CD1-CG 3.5Å; L746-F861 HydrophobicContact CD2-CD1 3.88Å; L746-F861 HydrophobicContact CD2-CE1 3.67Å; L746-F861 HydrophobicContact CD2-CG 4.46Å; L746-F861 HydrophobicContact CD2-CZ 4.09Å; L746-F861 HydrophobicContact CG-CD1 4.46Å; P804-F861 HydrophobicContact CB-CD1 4Å; P804-F861 HydrophobicContact CB-CE1 3.84Å; Q857-F861 HydrophobicContact CB-CD2 4.38Å; Q857-F861 WeakPolarHBondContact O-CD2 3.39Å; Q857-F861 PolarHBondContact O-N 3.06Å
862	F	95.5	Very high	92.8	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	14%	0.14	C	C	.	.	I	π-helix	trans	-119.3	-21	-167.7	-58	-46.3	0	0	0	115.1	L744 L746 L750 V753 L850 P851 C853 A858 L934 L935	L744-F862 HydrophobicContact CD1-CE2 3.92Å; L744-F862 HydrophobicContact CD1-CZ 3.85Å; L744-F862 HydrophobicContact CD2-CE2 3.61Å; L744-F862 HydrophobicContact CD2-CZ 3.8Å; L744-F862 HydrophobicContact CG-CE2 4.43Å; L744-F862 HydrophobicContact CG-CZ 4.44Å; L746-F862 HydrophobicContact CD1-CE1 4.38Å; L746-F862 HydrophobicContact CD1-CZ 4.29Å; L750-F862 HydrophobicContact CD2-CD1 4.04Å; L750-F862 HydrophobicContact CD2-CE1 3.78Å; L750-F862 HydrophobicContact CG-CE1 4Å; V753-F862 HydrophobicContact CB-CD1 4.43Å; V753-F862 HydrophobicContact CG2-CD1 3.98Å; V753-F862 HydrophobicContact CG2-CE1 4.27Å; V753-F862 HydrophobicContact CG2-CG 4.33Å; L850-F862 HydrophobicContact CD2-CB 3.77Å; L850-F862 HydrophobicContact CD2-CD2 4.39Å; L850-F862 HydrophobicContact CD2-CG 4.25Å; P851-F862 HydrophobicContact CG-CD2 4.28Å; P851-F862 HydrophobicContact CG-CE2 3.54Å; P851-F862 HydrophobicContact CG-CZ 3.76Å; C853-F862 HydrophobicContact CB-CE2 4.42Å; A858-F862 PolarHBondContact O-N 3.17Å; F862-L934 CarbonylContact O-C 3.49Å; F862-L934 VanDerWaalsContact O-CA 3.25Å; F862-L934 WeakPolarHBondContact O-CA 3.33Å; F862-L934 WeakPolarHBondContact O-CD2 3.23Å; F862-L935 PolarHBondContact O-N 3.15Å
863	L	95.2	Very high	92.5	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	14%	0.136	C	C	.	.	B	Isolated β-bridge	trans	-116.2	138.2	-174	-59.8	176.9	0	0	0	112	N805 L850 A858 L859 I865 L929 L932 P933 L934	N805-L863 PolarHBondContact ND2-O 2.55Å; L850-L863 HydrophobicContact CD1-CD2 4.38Å; A858-L863 HydrophobicContact CB-CD1 4.15Å; A858-L863 PolarHBondContact O-N 2.97Å; L859-L863 HydrophobicContact CD2-CD1 4.11Å; L863-I865 PolarHBondContact O-N 3.42Å; L863-L929 HydrophobicContact CD1-CD2 4.09Å; L863-L932 HydrophobicContact CB-CB 4.31Å; L863-L932 HydrophobicContact CB-CD1 4.16Å; L863-L932 HydrophobicContact CD1-CD1 4.35Å; L863-L932 HydrophobicContact CD2-CB 4.27Å; L863-P933 WeakPolarHBondContact CA-O 3.38Å; L863-L934 HydrophobicContact CD2-CD2 4.34Å
864	D	93.6	Very high	92.4	Very high	11 Å²	11	24.9 Å²	24.9	6%	0.059	13%	0.134	C	C	.	.			trans	-82.4	117.5	171.9	-165.1	-17.6	0	0	0	109.9	T866 S867 P933 L935	D864-T866 WeakPolarHBondContact OD1-CA 3.16Å; D864-T866 PolarHBondContact OD1-N 3.24Å; D864-T866 PolarHBondContact OD1-OG1 3.34Å; D864-S867 PolarHBondContact OD1-N 3.01Å; D864-S867 WeakPolarHBondContact OD2-CB 3.39Å; D864-S867 PolarHBondContact OD2-OG 3.02Å; D864-P933 HydrophobicContact CB-CB 4.15Å; D864-P933 PolarHBondContact N-O 3.35Å; D864-L935 HydrophobicContact CB-CD1 4.42Å
865	I	96	Very high	91.9	Very high	2 Å²	2	28 Å²	28	1%	0.01	15%	0.145	C	C	.	.	S	Bend	trans	-109	0.2	177.2	68.3	-178.3	0	0	0	112	N805 L809 V810 L813 L859 L863 L911 L932	N805-I865 HydrophobicContact CB-CD1 3.88Å; N805-I865 HydrophobicContact CB-CG1 4.28Å; L809-I865 HydrophobicContact CD2-CD1 3.88Å; L809-I865 HydrophobicContact CD2-CG1 3.89Å; L809-I865 HydrophobicContact CG-CD1 3.8Å; L809-I865 HydrophobicContact CG-CG1 4.29Å; V810-I865 HydrophobicContact CG2-CD1 3.98Å; L813-I865 HydrophobicContact CD2-CB 3.89Å; L813-I865 HydrophobicContact CD2-CD1 4.23Å; L813-I865 HydrophobicContact CD2-CG2 3.57Å; L859-I865 HydrophobicContact CD2-CG2 3.84Å; L863-I865 PolarHBondContact O-N 3.42Å; I865-L911 PolarHBondContact O-N 3.18Å; I865-L932 HydrophobicContact CG2-CD1 3.97Å
866	T	94.3	Very high	91.6	Very high	28 Å²	28	28.1 Å²	28.1	17%	0.172	15%	0.145	C	C	.	.	S	Bend	trans	-108.2	-33.1	-171.5	58.9	0	0	0	0	113.6	L809 D864 V975	L809-T866 HydrophobicContact CD2-CG2 3.73Å; D864-T866 WeakPolarHBondContact OD1-CA 3.16Å; D864-T866 PolarHBondContact OD1-N 3.24Å; D864-T866 PolarHBondContact OD1-OG1 3.34Å; T866-V975 HydrophobicContact CG2-CG2 3.84Å
867	S	89.3	Confident	91.3	Very high	57 Å²	57	24.2 Å²	24.2	40%	0.399	13%	0.131	S	C	.	.	S	Bend	trans	-66.4	137.5	173.1	-70.9	0	0	0	0	111.2	D864	D864-S867 PolarHBondContact OD1-N 3.01Å; D864-S867 WeakPolarHBondContact OD2-CB 3.39Å; D864-S867 PolarHBondContact OD2-OG 3.02Å
868	P	90.3	Very high	91.2	Very high	36 Å²	36	21.8 Å²	21.8	23%	0.234	12%	0.12	C	C	.	.	P	Polyproline II helix	trans	-54.1	131.5	177.6	-30.4	36.9	0	0	0	113.7	S870 K904 P909	P868-S870 PolarHBondContact O-N 3.38Å; P868-K904 HydrophobicContact CB-CG 4.21Å; P868-K904 HydrophobicContact CG-CG 4.42Å; P868-P909 VanDerWaalsContact CA-O 3.31Å; P868-P909 WeakPolarHBondContact CA-O 3.49Å
869	P	89.6	Confident	90.9	Very high	5 Å²	5	24.2 Å²	24.2	3%	0.032	13%	0.134	C	C	.	.	P	Polyproline II helix	trans	-51.7	134.8	176.2	-33.6	40.5	0	0	0	113	L873 L874 Y900 L911 V914	P869-L873 HydrophobicContact CB-CB 4.29Å; P869-L873 HydrophobicContact CB-CD2 3.9Å; P869-L873 HydrophobicContact CB-CG 4.15Å; P869-L873 HydrophobicContact CG-CD2 4.38Å; P869-L874 HydrophobicContact CB-CD2 3.85Å; P869-L874 HydrophobicContact CB-CG 4.23Å; P869-Y900 VanDerWaalsContact O-CE2 3.3Å; P869-Y900 WeakPolarHBondContact O-CE2 3.4Å; P869-Y900 PolarHBondContact O-OH 2.83Å; P869-L911 HydrophobicContact CG-CD1 3.98Å; P869-V914 HydrophobicContact CG-CG2 3.95Å
870	S	83.3	Confident	90.6	Very high	43 Å²	43	25.5 Å²	25.5	30%	0.301	14%	0.141	S	C	.	.	P	Polyproline II helix	trans	-68.7	160.3	176.9	69.8	0	0	0	0	111.4	P868 Q872 L873 L874	P868-S870 PolarHBondContact O-N 3.38Å; S870-Q872 PolarHBondContact O-N 3Å; S870-Q872 VanDerWaalsContact O-N 3.17Å; S870-L873 WeakPolarHBondContact O-CA 3.29Å; S870-L873 PolarHBondContact O-N 2.82Å; S870-L873 PolarHBondContact OG-N 3.2Å; S870-L874 PolarHBondContact O-N 3.02Å
871	P	83.9	Confident	90.4	Very high	33 Å²	33	25.1 Å²	25.1	21%	0.214	14%	0.14	C	C	.	.	H	α-helix	trans	-56.7	-34	175.8	-24.3	34.9	0	0	0	112.2	R875 S894 Y900	P871-R875 WeakPolarHBondContact O-CB 3.34Å; P871-R875 PolarHBondContact O-N 3.18Å; P871-S894 VanDerWaalsContact O-CB 3.27Å; P871-S894 WeakPolarHBondContact O-CB 3.29Å; P871-Y900 HydrophobicContact CG-CD1 3.78Å; P871-Y900 HydrophobicContact CG-CD2 3.95Å; P871-Y900 HydrophobicContact CG-CE1 3.75Å; P871-Y900 HydrophobicContact CG-CE2 3.93Å; P871-Y900 HydrophobicContact CG-CG 3.88Å
872	Q	79.3	Confident	90.2	Very high	70 Å²	70	30.1 Å²	30.1	33%	0.327	16%	0.164	S	C	.	.	H	α-helix	trans	-64.6	-41.1	172.9	178.4	169.7	-45.5	0	0	112.6	S870 R875 L876	S870-Q872 PolarHBondContact O-N 3Å; S870-Q872 VanDerWaalsContact O-N 3.17Å; Q872-R875 PolarHBondContact O-N 3.35Å; Q872-L876 PolarHBondContact O-N 3.07Å
873	L	86.5	Confident	90.2	Very high	11 Å²	11	33.6 Å²	33.6	6%	0.058	18%	0.18	C	C	.	.	H	α-helix	trans	-68.3	-43.6	177.3	-178	54.1	0	0	0	110.9	P869 S870 R875 L876 L877 L927 Q931 L932	P869-L873 HydrophobicContact CB-CB 4.29Å; P869-L873 HydrophobicContact CB-CD2 3.9Å; P869-L873 HydrophobicContact CB-CG 4.15Å; P869-L873 HydrophobicContact CG-CD2 4.38Å; S870-L873 WeakPolarHBondContact O-CA 3.29Å; S870-L873 PolarHBondContact O-N 2.82Å; S870-L873 PolarHBondContact OG-N 3.2Å; L873-R875 VanDerWaalsContact C-N 3.25Å; L873-R875 PolarHBondContact O-N 3.32Å; L873-L876 WeakPolarHBondContact O-CA 3.41Å; L873-L876 WeakPolarHBondContact O-CB 3.26Å; L873-L876 PolarHBondContact O-N 3.13Å; L873-L877 HydrophobicContact CD1-CD2 4.49Å; L873-L877 HydrophobicContact CD1-CG 4.44Å; L873-L877 WeakPolarHBondContact O-CG 3.4Å; L873-L877 PolarHBondContact O-N 3.49Å; L873-L927 HydrophobicContact CD1-CD2 4.07Å; L873-Q931 HydrophobicContact CD1-CB 4.36Å; L873-L932 HydrophobicContact CD2-CD2 3.71Å
874	L	91.7	Very high	90.1	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-55.9	-39.3	173.6	-63.9	-180	0	0	0	112.2	P869 S870 L876 L877 S878 L890 L893 Y900 W903 V914	P869-L874 HydrophobicContact CB-CD2 3.85Å; P869-L874 HydrophobicContact CB-CG 4.23Å; S870-L874 PolarHBondContact O-N 3.02Å; L874-L876 VanDerWaalsContact C-N 3.29Å; L874-L876 PolarHBondContact O-N 3Å; L874-L877 PolarHBondContact O-N 3.24Å; L874-S878 PolarHBondContact O-N 2.87Å; L874-L890 HydrophobicContact CB-CD2 4.43Å; L874-L890 HydrophobicContact CD2-CD2 3.84Å; L874-L893 HydrophobicContact CD1-CB 3.96Å; L874-Y900 HydrophobicContact CD1-CD2 3.81Å; L874-Y900 HydrophobicContact CD1-CE2 3.79Å; L874-W903 HydrophobicContact CD1-CH2 4.16Å; L874-W903 HydrophobicContact CD1-CZ3 3.9Å; L874-W903 HydrophobicContact CD2-CH2 4.01Å; L874-V914 HydrophobicContact CD2-CG1 4.09Å
875	R	86.8	Confident	90.2	Very high	75 Å²	75	46.9 Å²	46.9	28%	0.283	24%	0.241	S	C	.	.	H	α-helix	trans	-71.2	-16.7	175.1	-152.7	174.3	-65.9	177.3	3	114.8	P871 Q872 L873 S878 S894	P871-R875 WeakPolarHBondContact O-CB 3.34Å; P871-R875 PolarHBondContact O-N 3.18Å; Q872-R875 PolarHBondContact O-N 3.35Å; L873-R875 VanDerWaalsContact C-N 3.25Å; L873-R875 PolarHBondContact O-N 3.32Å; R875-S878 PolarHBondContact O-OG 3.02Å; R875-S894 PolarHBondContact NE-OG 3.32Å; R875-S894 PolarHBondContact NH2-O 3.25Å
876	L	87.2	Confident	90.2	Very high	10 Å²	10	48.3 Å²	48.3	5%	0.052	25%	0.248	C	C	.	.	H	α-helix	trans	-84.6	-42.7	169.2	-67.2	177.4	0	0	0	110.4	W730 Q872 L873 L874 S878 T879 L927 Q931	W730-L876 HydrophobicContact CB-CD1 4.12Å; W730-L876 HydrophobicContact CB-CD2 4.13Å; Q872-L876 PolarHBondContact O-N 3.07Å; L873-L876 WeakPolarHBondContact O-CA 3.41Å; L873-L876 WeakPolarHBondContact O-CB 3.26Å; L873-L876 PolarHBondContact O-N 3.13Å; L874-L876 VanDerWaalsContact C-N 3.29Å; L874-L876 PolarHBondContact O-N 3Å; L876-S878 VanDerWaalsContact C-N 3.29Å; L876-S878 PolarHBondContact O-N 3.39Å; L876-T879 PolarHBondContact O-N 2.93Å; L876-T879 VanDerWaalsContact O-N 3.11Å; L876-T879 PolarHBondContact O-OG1 3.06Å; L876-L927 HydrophobicContact CB-CD1 4.46Å; L876-Q931 HydrophobicContact CD1-CG 3.93Å
877	L	92.1	Very high	90.2	Very high	1 Å²	1	50 Å²	50	1%	0.005	25%	0.254	C	S	.	.	H	α-helix	trans	-61.1	-36.6	174.7	-59.3	-178.5	0	0	0	111.8	L873 L874 T879 L880 A881 L890 L911 V914 V921 L923	L873-L877 HydrophobicContact CD1-CD2 4.49Å; L873-L877 HydrophobicContact CD1-CG 4.44Å; L873-L877 WeakPolarHBondContact O-CG 3.4Å; L873-L877 PolarHBondContact O-N 3.49Å; L874-L877 PolarHBondContact O-N 3.24Å; L877-T879 PolarHBondContact O-N 3.13Å; L877-L880 CarbonylContact O-C 3.59Å; L877-L880 WeakPolarHBondContact O-CA 3.39Å; L877-L880 WeakPolarHBondContact O-CB 3.48Å; L877-L880 PolarHBondContact O-N 3.46Å; L877-A881 PolarHBondContact O-N 3.39Å; L877-A881 VanDerWaalsContact O-N 3.08Å; L877-L890 HydrophobicContact CB-CD1 4.27Å; L877-L911 HydrophobicContact CD1-CD1 4.44Å; L877-V914 HydrophobicContact CD1-CG1 4.1Å; L877-V921 HydrophobicContact CB-CG1 4.13Å; L877-V921 HydrophobicContact CD2-CG1 3.96Å; L877-L923 HydrophobicContact CD2-CD1 3.95Å
878	S	92.8	Very high	90.4	Very high	1 Å²	1	54.1 Å²	54.1	1%	0.007	27%	0.267	C	S	.	.	G	3₁₀ helix	trans	-61.3	-30.5	175.4	81.6	0	0	0	0	113	L874 R875 L876 L880 Q887 E891	L874-S878 PolarHBondContact O-N 2.87Å; R875-S878 PolarHBondContact O-OG 3.02Å; L876-S878 VanDerWaalsContact C-N 3.29Å; L876-S878 PolarHBondContact O-N 3.39Å; S878-L880 PolarHBondContact O-N 3.49Å; S878-Q887 WeakPolarHBondContact O-CG 3.43Å; S878-E891 VanDerWaalsContact OG-CG 3.24Å; S878-E891 WeakPolarHBondContact OG-CG 3.5Å
879	T	90	Very high	90.6	Very high	50 Å²	50	55.1 Å²	55.1	31%	0.307	27%	0.268	S	S	.	.	G	3₁₀ helix	trans	-81.1	5.6	175.7	64.4	0	0	0	0	114.1	R728 L876 L877	R728-T879 HydrophobicContact CG-CG2 4.12Å; L876-T879 PolarHBondContact O-N 2.93Å; L876-T879 VanDerWaalsContact O-N 3.11Å; L876-T879 PolarHBondContact O-OG1 3.06Å; L877-T879 PolarHBondContact O-N 3.13Å
880	L	90.4	Very high	90.8	Very high	27 Å²	27	54.9 Å²	54.9	14%	0.141	27%	0.267	C	S	.	.	G	3₁₀ helix	trans	-126.5	-3.3	178.2	-63.9	172.3	0	0	0	112.6	L877 S878 V921 A922 P924 L927	L877-L880 CarbonylContact O-C 3.59Å; L877-L880 WeakPolarHBondContact O-CA 3.39Å; L877-L880 WeakPolarHBondContact O-CB 3.48Å; L877-L880 PolarHBondContact O-N 3.46Å; S878-L880 PolarHBondContact O-N 3.49Å; L880-V921 HydrophobicContact CB-CG1 4.25Å; L880-V921 WeakPolarHBondContact O-CA 3.39Å; L880-A922 WeakPolarHBondContact CB-O 3.48Å; L880-A922 PolarHBondContact O-N 3.18Å; L880-P924 HydrophobicContact CD1-CG 4.46Å; L880-L927 HydrophobicContact CD1-CD1 3.45Å; L880-L927 VanDerWaalsContact CD1-CD1 3.45Å
881	A	93.1	Very high	91.2	Very high	12 Å²	12	55.5 Å²	55.5	10%	0.099	27%	0.265	C	S	.	.	B	Isolated β-bridge	trans	-76.4	124.1	171.6	0	0	0	0	0	109.7	L877 E886 Q887 L890 V921	L877-A881 PolarHBondContact O-N 3.39Å; L877-A881 VanDerWaalsContact O-N 3.08Å; A881-E886 HydrophobicContact CB-CB 4.23Å; A881-Q887 HydrophobicContact CB-CB 4.18Å; A881-L890 HydrophobicContact CB-CD1 4.28Å; A881-V921 HydrophobicContact CB-CG2 4Å
882	E	92.6	Very high	91.5	Very high	160 Å²	160	55.2 Å²	55.2	75%	0.748	27%	0.265	S	S	*	.	S	Bend	trans	-82.3	-24.7	177.7	-60.8	-171.6	152.4	0	0	112.9	P884 S920	E882-P884 WeakPolarHBondContact O-CD 3.37Å; E882-S920 PolarHBondContact N-O 2.8Å; E882-S920 PolarHBondContact N-OG 3.23Å
883	E	95.7	Very high	92	Very high	73 Å²	73	52 Å²	52	34%	0.341	25%	0.25	S	C	.	.	S	Bend	trans	-86.4	119.6	176.4	169.3	47.9	-132.2	0	0	110.8	R885 E886 Q887 S920	E883-R885 HydrophobicContact CG-CB 4.17Å; E883-R885 PolarHBondContact O-N 3.01Å; E883-R885 VanDerWaalsContact O-N 3.12Å; E883-R885 VanDerWaalsContact OE1-CB 3.28Å; E883-R885 WeakPolarHBondContact OE1-CB 3.37Å; E883-R885 WeakPolarHBondContact OE1-CD 3.47Å; E883-R885 WeakPolarHBondContact OE1-CG 3.4Å; E883-R885 PolarHBondContact OE1-N 3.31Å; E883-E886 HydrophobicContact CB-CB 4.25Å; E883-E886 HydrophobicContact CB-CG 4.07Å; E883-E886 HydrophobicContact CG-CB 4.38Å; E883-E886 HydrophobicContact CG-CG 3.94Å; E883-E886 PolarHBondContact O-N 2.92Å; E883-Q887 PolarHBondContact O-N 2.89Å; E883-S920 PolarHBondContact N-OG 3.07Å; E883-S920 VanDerWaalsContact N-OG 3.15Å
884	P	94.4	Very high	92	Very high	87 Å²	87	51.7 Å²	51.7	57%	0.565	25%	0.249	S	C	*	.	H	α-helix	trans	-56.7	-31.4	-176.9	-29.2	36.8	0	0	0	115	E882 Q888	E882-P884 WeakPolarHBondContact O-CD 3.37Å; P884-Q888 WeakPolarHBondContact O-CB 3.24Å; P884-Q888 PolarHBondContact O-N 3.33Å
885	R	95.3	Very high	91.5	Very high	203 Å²	203	57.3 Å²	57.3	77%	0.766	28%	0.275	S	S	*	.	H	α-helix	trans	-67.8	-40.2	175.5	-66.8	171	176.9	-162.7	0.1	112.3	E883 Q888 E889	E883-R885 HydrophobicContact CG-CB 4.17Å; E883-R885 PolarHBondContact O-N 3.01Å; E883-R885 VanDerWaalsContact O-N 3.12Å; E883-R885 VanDerWaalsContact OE1-CB 3.28Å; E883-R885 WeakPolarHBondContact OE1-CB 3.37Å; E883-R885 WeakPolarHBondContact OE1-CD 3.47Å; E883-R885 WeakPolarHBondContact OE1-CG 3.4Å; E883-R885 PolarHBondContact OE1-N 3.31Å; R885-Q888 PolarHBondContact O-N 2.84Å; R885-E889 WeakPolarHBondContact O-CB 3.49Å; R885-E889 PolarHBondContact O-N 3.21Å
886	E	95.9	Very high	91.2	Very high	32 Å²	32	57 Å²	57	15%	0.15	28%	0.279	C	S	.	.	H	α-helix	trans	-70.2	-41	177.5	-66.3	-179	-155	0	0	110.9	A881 E883 Q888 E889 L890 F918 P919 S920	A881-E886 HydrophobicContact CB-CB 4.23Å; E883-E886 HydrophobicContact CB-CB 4.25Å; E883-E886 HydrophobicContact CB-CG 4.07Å; E883-E886 HydrophobicContact CG-CB 4.38Å; E883-E886 HydrophobicContact CG-CG 3.94Å; E883-E886 PolarHBondContact O-N 2.92Å; E886-Q888 PolarHBondContact O-N 2.77Å; E886-E889 PolarHBondContact O-N 3.28Å; E886-L890 WeakPolarHBondContact O-CB 3.47Å; E886-L890 WeakPolarHBondContact O-CG 3.23Å; E886-L890 PolarHBondContact O-N 3.33Å; E886-F918 HydrophobicContact CB-CD1 3.94Å; E886-F918 HydrophobicContact CG-CD1 4.05Å; E886-F918 WeakPolarHBondContact OE2-CA 3.49Å; E886-P919 VanDerWaalsContact OE1-CD 3.29Å; E886-P919 WeakPolarHBondContact OE1-CD 3.02Å; E886-P919 WeakPolarHBondContact OE1-CG 3.4Å; E886-S920 VanDerWaalsContact OE2-CB 3.23Å; E886-S920 WeakPolarHBondContact OE2-CB 3.4Å; E886-S920 PolarHBondContact OE2-N 2.93Å; E886-S920 PolarHBondContact OE2-OG 3.07Å
887	Q	93.9	Very high	90.7	Very high	64 Å²	64	58.9 Å²	58.9	30%	0.299	29%	0.292	S	S	.	.	H	α-helix	trans	-55.2	-51	170.1	175.6	178.7	3.9	0	0	110.9	S878 A881 E883 E889 L890 E891	S878-Q887 WeakPolarHBondContact O-CG 3.43Å; A881-Q887 HydrophobicContact CB-CB 4.18Å; E883-Q887 PolarHBondContact O-N 2.89Å; Q887-E889 PolarHBondContact O-N 2.71Å; Q887-L890 PolarHBondContact O-N 3.37Å; Q887-E891 HydrophobicContact CG-CG 4.35Å; Q887-E891 PolarHBondContact NE2-OE1 2.88Å; Q887-E891 WeakPolarHBondContact O-CB 3.36Å; Q887-E891 WeakPolarHBondContact O-CG 3.47Å; Q887-E891 PolarHBondContact O-N 2.79Å
888	Q	93.7	Very high	90	Very high	143 Å²	143	65.2 Å²	65.2	67%	0.668	32%	0.316	S	S	*	.	H	α-helix	trans	-63.7	-39.6	-176.3	-170.4	176.7	17.9	0	0	112.2	P884 R885 E886 E891 A892	P884-Q888 WeakPolarHBondContact O-CB 3.24Å; P884-Q888 PolarHBondContact O-N 3.33Å; R885-Q888 PolarHBondContact O-N 2.84Å; E886-Q888 PolarHBondContact O-N 2.77Å; Q888-E891 PolarHBondContact O-N 2.73Å; Q888-A892 WeakPolarHBondContact O-CB 3.33Å; Q888-A892 PolarHBondContact O-N 3.18Å
889	E	94.3	Very high	89.7	Confident	58 Å²	58	69.7 Å²	69.7	27%	0.271	33%	0.333	S	S	.	.	H	α-helix	trans	-68.5	-43.3	177.7	-174.8	62	-163.5	0	0	112	R885 E886 Q887 A892 L893 R899 F918	R885-E889 WeakPolarHBondContact O-CB 3.49Å; R885-E889 PolarHBondContact O-N 3.21Å; E886-E889 PolarHBondContact O-N 3.28Å; Q887-E889 PolarHBondContact O-N 2.71Å; E889-A892 PolarHBondContact O-N 3.39Å; E889-L893 HydrophobicContact CG-CD1 4.21Å; E889-L893 WeakPolarHBondContact O-CB 3.4Å; E889-L893 WeakPolarHBondContact O-CG 3.42Å; E889-L893 PolarHBondContact O-N 3.45Å; E889-R899 IonicContact OE1-CZ 2.88Å; E889-R899 IonicContact OE1-NE 2.72Å; E889-R899 IonicContact OE1-NH2 2.7Å; E889-R899 PolarHBondContact OE1-NH2 3.47Å; E889-R899 IonicContact OE2-CZ 2.68Å; E889-R899 IonicContact OE2-NH2 3.68Å; E889-R899 PolarHBondContact OE2-NH2 2.91Å; E889-F918 HydrophobicContact CB-CE1 3.87Å; E889-F918 HydrophobicContact CB-CZ 4.41Å; E889-F918 HydrophobicContact CG-CE1 3.66Å; E889-F918 HydrophobicContact CG-CZ 3.82Å
890	L	94.2	Very high	89.4	Confident	0 Å²	0	68.2 Å²	68.2	0%	0	32%	0.322	C	S	.	.	H	α-helix	trans	-64.4	-38.5	173.6	-76.3	167.2	0	0	0	112	L874 L877 A881 E886 Q887 S894 F918 V921	L874-L890 HydrophobicContact CB-CD2 4.43Å; L874-L890 HydrophobicContact CD2-CD2 3.84Å; L877-L890 HydrophobicContact CB-CD1 4.27Å; A881-L890 HydrophobicContact CB-CD1 4.28Å; E886-L890 WeakPolarHBondContact O-CB 3.47Å; E886-L890 WeakPolarHBondContact O-CG 3.23Å; E886-L890 PolarHBondContact O-N 3.33Å; Q887-L890 PolarHBondContact O-N 3.37Å; L890-S894 VanDerWaalsContact O-CB 3.3Å; L890-S894 WeakPolarHBondContact O-CB 3.45Å; L890-S894 PolarHBondContact O-N 2.9Å; L890-F918 HydrophobicContact CD1-CB 4.04Å; L890-F918 HydrophobicContact CD1-CD1 4.24Å; L890-F918 HydrophobicContact CD1-CD2 4.2Å; L890-F918 HydrophobicContact CD1-CG 3.9Å; L890-F918 HydrophobicContact CD2-CD2 3.52Å; L890-F918 HydrophobicContact CD2-CE2 3.5Å; L890-F918 VanDerWaalsContact CD2-CE2 3.5Å; L890-F918 HydrophobicContact CD2-CG 4.05Å; L890-F918 HydrophobicContact CD2-CZ 4.02Å; L890-F918 HydrophobicContact CG-CD1 4Å; L890-F918 HydrophobicContact CG-CD2 3.87Å; L890-F918 HydrophobicContact CG-CE1 4.1Å; L890-F918 HydrophobicContact CG-CE2 3.97Å; L890-F918 HydrophobicContact CG-CG 3.88Å; L890-F918 HydrophobicContact CG-CZ 4.07Å; L890-V921 HydrophobicContact CD1-CG2 3.81Å
891	E	90.6	Very high	88.9	Confident	56 Å²	56	67.5 Å²	67.5	26%	0.262	32%	0.317	S	S	.	.	H	α-helix	trans	-64.5	-43.1	173.9	-79.3	-169	-160.4	0	0	111.6	S878 Q887 Q888 S894 Q895	S878-E891 VanDerWaalsContact OG-CG 3.24Å; S878-E891 WeakPolarHBondContact OG-CG 3.5Å; Q887-E891 HydrophobicContact CG-CG 4.35Å; Q887-E891 PolarHBondContact NE2-OE1 2.88Å; Q887-E891 WeakPolarHBondContact O-CB 3.36Å; Q887-E891 WeakPolarHBondContact O-CG 3.47Å; Q887-E891 PolarHBondContact O-N 2.79Å; Q888-E891 PolarHBondContact O-N 2.73Å; E891-S894 PolarHBondContact O-N 3.37Å; E891-S894 PolarHBondContact O-OG 3.33Å; E891-Q895 WeakPolarHBondContact O-CB 3.46Å; E891-Q895 VanDerWaalsContact O-CG 3.28Å; E891-Q895 WeakPolarHBondContact O-CG 3.44Å; E891-Q895 PolarHBondContact O-N 3.3Å; E891-Q895 VanDerWaalsContact O-N 3.1Å; E891-Q895 PolarHBondContact O-NE2 2.95Å
892	A	90.6	Very high	88.5	Confident	26 Å²	26	70.9 Å²	70.9	22%	0.215	33%	0.331	C	S	.	.	H	α-helix	trans	-63.5	-49.3	176	0	0	0	0	0	112.1	Q888 E889 S894 Q895 D896	Q888-A892 WeakPolarHBondContact O-CB 3.33Å; Q888-A892 PolarHBondContact O-N 3.18Å; E889-A892 PolarHBondContact O-N 3.39Å; A892-S894 PolarHBondContact O-N 3.12Å; A892-Q895 PolarHBondContact O-N 3.46Å; A892-D896 PolarHBondContact O-N 2.92Å
893	L	90.6	Very high	88.4	Confident	2 Å²	2	64.3 Å²	64.3	1%	0.01	30%	0.3	C	S	.	.	H	α-helix	trans	-61.1	-24	173.7	-74.1	168.5	0	0	0	113	L874 E889 R899 Y900 W903 F918	L874-L893 HydrophobicContact CD1-CB 3.96Å; E889-L893 HydrophobicContact CG-CD1 4.21Å; E889-L893 WeakPolarHBondContact O-CB 3.4Å; E889-L893 WeakPolarHBondContact O-CG 3.42Å; E889-L893 PolarHBondContact O-N 3.45Å; L893-R899 HydrophobicContact CD2-CG 4.01Å; L893-Y900 WeakPolarHBondContact O-CB 3.43Å; L893-W903 HydrophobicContact CD1-CD2 4.31Å; L893-W903 HydrophobicContact CD1-CG 4.42Å; L893-W903 HydrophobicContact CD2-CB 3.72Å; L893-W903 HydrophobicContact CD2-CD2 4.11Å; L893-W903 HydrophobicContact CD2-CG 3.76Å; L893-F918 HydrophobicContact CD1-CE2 4.35Å; L893-F918 HydrophobicContact CD1-CZ 3.91Å
894	S	86	Confident	87.9	Confident	6 Å²	6	62.3 Å²	62.3	4%	0.042	29%	0.29	C	S	.	.	H	α-helix	trans	-82.3	-21	173.3	84.2	0	0	0	0	114.1	P871 R875 L890 E891 A892	P871-S894 VanDerWaalsContact O-CB 3.27Å; P871-S894 WeakPolarHBondContact O-CB 3.29Å; R875-S894 PolarHBondContact NE-OG 3.32Å; R875-S894 PolarHBondContact NH2-O 3.25Å; L890-S894 VanDerWaalsContact O-CB 3.3Å; L890-S894 WeakPolarHBondContact O-CB 3.45Å; L890-S894 PolarHBondContact O-N 2.9Å; E891-S894 PolarHBondContact O-N 3.37Å; E891-S894 PolarHBondContact O-OG 3.33Å; A892-S894 PolarHBondContact O-N 3.12Å
895	Q	81.1	Confident	87.3	Confident	118 Å²	118	62.5 Å²	62.5	55%	0.551	28%	0.279	S	S	*	.	H	α-helix	trans	-108.7	-30.9	-168.4	-76.4	177.6	69	0	0	113.8	E891 A892 P897	E891-Q895 WeakPolarHBondContact O-CB 3.46Å; E891-Q895 VanDerWaalsContact O-CG 3.28Å; E891-Q895 WeakPolarHBondContact O-CG 3.44Å; E891-Q895 PolarHBondContact O-N 3.3Å; E891-Q895 VanDerWaalsContact O-N 3.1Å; E891-Q895 PolarHBondContact O-NE2 2.95Å; A892-Q895 PolarHBondContact O-N 3.46Å; Q895-P897 WeakPolarHBondContact O-CD 3.46Å
896	D	81.9	Confident	86.9	Confident	68 Å²	68	57.1 Å²	57.1	36%	0.364	26%	0.262	S	S	.	.			trans	-95.9	108.2	176.7	-179.7	-23.3	0	0	0	110	A892 R898 R899 Y900	A892-D896 PolarHBondContact O-N 2.92Å; D896-R898 VanDerWaalsContact C-N 3.29Å; D896-R898 PolarHBondContact O-N 3.48Å; D896-R898 WeakPolarHBondContact OD1-CA 3.41Å; D896-R898 WeakPolarHBondContact OD1-CB 3.42Å; D896-R898 PolarHBondContact OD1-N 2.9Å; D896-R899 HydrophobicContact CB-CB 3.78Å; D896-R899 PolarHBondContact OD1-N 2.91Å; D896-R899 WeakPolarHBondContact OD2-CB 3.29Å; D896-Y900 WeakPolarHBondContact O-CB 3.3Å; D896-Y900 PolarHBondContact O-N 3.26Å
897	P	75.1	Confident	86.4	Confident	50 Å²	50	59.9 Å²	59.9	33%	0.325	27%	0.271	S	S	.	.	H	α-helix	trans	-66	-31.3	-177.5	-17.8	31	0	0	0	112.9	E693 Q895 E901	E693-P897 WeakPolarHBondContact OE1-CG 3.25Å; E693-P897 WeakPolarHBondContact OE2-CB 3.18Å; E693-P897 VanDerWaalsContact OE2-CG 3.27Å; E693-P897 WeakPolarHBondContact OE2-CG 3.42Å; Q895-P897 WeakPolarHBondContact O-CD 3.46Å; P897-E901 WeakPolarHBondContact O-CB 3.27Å; P897-E901 WeakPolarHBondContact O-CG 3.39Å; P897-E901 PolarHBondContact O-N 3.1Å
898	R	78.3	Confident	86.2	Confident	134 Å²	134	58.3 Å²	58.3	51%	0.506	27%	0.266	S	S	.	.	H	α-helix	trans	-72.5	-50.1	-179.9	177.1	179	169.9	164	-2.1	109.8	D896 Y900 E901 E902	D896-R898 VanDerWaalsContact C-N 3.29Å; D896-R898 PolarHBondContact O-N 3.48Å; D896-R898 WeakPolarHBondContact OD1-CA 3.41Å; D896-R898 WeakPolarHBondContact OD1-CB 3.42Å; D896-R898 PolarHBondContact OD1-N 2.9Å; R898-Y900 VanDerWaalsContact C-N 3.26Å; R898-Y900 PolarHBondContact O-N 3.27Å; R898-E901 PolarHBondContact O-N 3.31Å; R898-E902 HydrophobicContact CG-CG 4.47Å; R898-E902 WeakPolarHBondContact CG-OE1 3.45Å; R898-E902 IonicContact CZ-OE1 3.56Å; R898-E902 IonicContact NE-OE1 3.52Å; R898-E902 PolarHBondContact NE-OE1 2.86Å; R898-E902 IonicContact NH2-OE1 2.69Å; R898-E902 PolarHBondContact NH2-OE1 2.84Å; R898-E902 VanDerWaalsContact NH2-OE1 3.17Å; R898-E902 WeakPolarHBondContact O-CB 3.46Å; R898-E902 WeakPolarHBondContact O-CG 3.44Å; R898-E902 PolarHBondContact O-N 3.48Å
899	R	85.3	Confident	86.2	Confident	95 Å²	95	51.7 Å²	51.7	36%	0.358	24%	0.236	S	C	.	.	H	α-helix	trans	-59.4	-38.7	175.7	-169.1	-175.3	-179.1	153.1	3.4	111.6	E889 L893 D896 W903	E889-R899 IonicContact OE1-CZ 2.88Å; E889-R899 IonicContact OE1-NE 2.72Å; E889-R899 IonicContact OE1-NH2 2.7Å; E889-R899 PolarHBondContact OE1-NH2 3.47Å; E889-R899 IonicContact OE2-CZ 2.68Å; E889-R899 IonicContact OE2-NH2 3.68Å; E889-R899 PolarHBondContact OE2-NH2 2.91Å; L893-R899 HydrophobicContact CD2-CG 4.01Å; D896-R899 HydrophobicContact CB-CB 3.78Å; D896-R899 PolarHBondContact OD1-N 2.91Å; D896-R899 WeakPolarHBondContact OD2-CB 3.29Å; R899-W903 VanDerWaalsContact O-CB 3.3Å; R899-W903 WeakPolarHBondContact O-CB 3.18Å; R899-W903 PolarHBondContact O-N 3.13Å
900	Y	85.7	Confident	86.2	Confident	19 Å²	19	49.5 Å²	49.5	8%	0.075	23%	0.227	C	C	.	.	H	α-helix	trans	-59.8	-54.1	172.8	176.5	-104.2	0	0	0	112.4	P869 P871 L874 L893 D896 R898 E902 W903 K904	P869-Y900 VanDerWaalsContact O-CE2 3.3Å; P869-Y900 WeakPolarHBondContact O-CE2 3.4Å; P869-Y900 PolarHBondContact O-OH 2.83Å; P871-Y900 HydrophobicContact CG-CD1 3.78Å; P871-Y900 HydrophobicContact CG-CD2 3.95Å; P871-Y900 HydrophobicContact CG-CE1 3.75Å; P871-Y900 HydrophobicContact CG-CE2 3.93Å; P871-Y900 HydrophobicContact CG-CG 3.88Å; L874-Y900 HydrophobicContact CD1-CD2 3.81Å; L874-Y900 HydrophobicContact CD1-CE2 3.79Å; L893-Y900 WeakPolarHBondContact O-CB 3.43Å; D896-Y900 WeakPolarHBondContact O-CB 3.3Å; D896-Y900 PolarHBondContact O-N 3.26Å; R898-Y900 VanDerWaalsContact C-N 3.26Å; R898-Y900 PolarHBondContact O-N 3.27Å; Y900-E902 VanDerWaalsContact C-N 3.32Å; Y900-E902 PolarHBondContact O-N 3.1Å; Y900-W903 HydrophobicContact CD2-CE3 4.3Å; Y900-W903 HydrophobicContact CD2-CZ3 4.43Å; Y900-W903 HydrophobicContact CE2-CE3 4.32Å; Y900-W903 HydrophobicContact CE2-CZ3 4.08Å; Y900-W903 PolarHBondContact O-N 3.32Å; Y900-K904 HydrophobicContact CD1-CD 4.38Å; Y900-K904 HydrophobicContact CE1-CB 4.43Å; Y900-K904 HydrophobicContact CE1-CD 3.58Å; Y900-K904 WeakPolarHBondContact O-CB 3.33Å; Y900-K904 PolarHBondContact O-N 3.31Å
901	E	79.9	Confident	86.3	Confident	11 Å²	11	49.7 Å²	49.7	5%	0.051	23%	0.227	C	C	.	.	H	α-helix	trans	-68.5	-28.3	-179.3	-71.2	-69.1	169.1	0	0	112.7	P897 R898 K904 W905 R1174 F1178	P897-E901 WeakPolarHBondContact O-CB 3.27Å; P897-E901 WeakPolarHBondContact O-CG 3.39Å; P897-E901 PolarHBondContact O-N 3.1Å; R898-E901 PolarHBondContact O-N 3.31Å; E901-K904 IonicContact OE1-NZ 2.74Å; E901-K904 PolarHBondContact OE1-NZ 3.5Å; E901-K904 WeakPolarHBondContact OE2-CD 3.5Å; E901-K904 WeakPolarHBondContact OE2-CE 3.48Å; E901-K904 IonicContact OE2-NZ 3.85Å; E901-K904 PolarHBondContact OE2-NZ 2.99Å; E901-W905 WeakPolarHBondContact O-CB 3.33Å; E901-W905 PolarHBondContact O-N 3.41Å; E901-W905 PolarHBondContact OE2-NE1 3.14Å; E901-R1174 PolarHBondContact O-NH1 3.32Å; E901-F1178 HydrophobicContact CB-CE2 4.49Å; E901-F1178 HydrophobicContact CB-CZ 3.92Å; E901-F1178 HydrophobicContact CG-CZ 4.36Å
902	E	84.4	Confident	86.5	Confident	83 Å²	83	47.9 Å²	47.9	39%	0.388	22%	0.219	S	C	.	.	H	α-helix	trans	-66.5	-51.2	170.5	-75.1	178.4	-169.5	0	0	111.2	R898 Y900 F906	R898-E902 HydrophobicContact CG-CG 4.47Å; R898-E902 WeakPolarHBondContact CG-OE1 3.45Å; R898-E902 IonicContact CZ-OE1 3.56Å; R898-E902 IonicContact NE-OE1 3.52Å; R898-E902 PolarHBondContact NE-OE1 2.86Å; R898-E902 IonicContact NH2-OE1 2.69Å; R898-E902 PolarHBondContact NH2-OE1 2.84Å; R898-E902 VanDerWaalsContact NH2-OE1 3.17Å; R898-E902 WeakPolarHBondContact O-CB 3.46Å; R898-E902 WeakPolarHBondContact O-CG 3.44Å; R898-E902 PolarHBondContact O-N 3.48Å; Y900-E902 VanDerWaalsContact C-N 3.32Å; Y900-E902 PolarHBondContact O-N 3.1Å; E902-F906 VanDerWaalsContact O-CB 3.29Å; E902-F906 WeakPolarHBondContact O-CB 3.27Å; E902-F906 PolarHBondContact O-N 2.92Å; E902-F906 VanDerWaalsContact O-N 3.15Å
903	W	89.3	Confident	86.8	Confident	23 Å²	23	48.3 Å²	48.3	9%	0.087	22%	0.217	C	C	.	.	H	α-helix	trans	-62	-48.8	176.4	172.3	88.7	0	0	0	112.7	L874 L893 R899 Y900 R907 P909 V914	L874-W903 HydrophobicContact CD1-CH2 4.16Å; L874-W903 HydrophobicContact CD1-CZ3 3.9Å; L874-W903 HydrophobicContact CD2-CH2 4.01Å; L893-W903 HydrophobicContact CD1-CD2 4.31Å; L893-W903 HydrophobicContact CD1-CG 4.42Å; L893-W903 HydrophobicContact CD2-CB 3.72Å; L893-W903 HydrophobicContact CD2-CD2 4.11Å; L893-W903 HydrophobicContact CD2-CG 3.76Å; R899-W903 VanDerWaalsContact O-CB 3.3Å; R899-W903 WeakPolarHBondContact O-CB 3.18Å; R899-W903 PolarHBondContact O-N 3.13Å; Y900-W903 HydrophobicContact CD2-CE3 4.3Å; Y900-W903 HydrophobicContact CD2-CZ3 4.43Å; Y900-W903 HydrophobicContact CE2-CE3 4.32Å; Y900-W903 HydrophobicContact CE2-CZ3 4.08Å; Y900-W903 PolarHBondContact O-N 3.32Å; W903-R907 WeakPolarHBondContact O-CB 3.32Å; W903-R907 PolarHBondContact O-N 3.25Å; W903-P909 HydrophobicContact CD2-CG 4.41Å; W903-P909 HydrophobicContact CE3-CG 4.34Å; W903-P909 HydrophobicContact CH2-CG 3.5Å; W903-P909 HydrophobicContact CZ2-CB 4.44Å; W903-P909 HydrophobicContact CZ2-CG 3.58Å; W903-P909 HydrophobicContact CZ3-CG 3.9Å; W903-V914 HydrophobicContact CH2-CG2 3.69Å; W903-V914 HydrophobicContact CZ2-CG2 3.81Å
904	K	86.4	Confident	87	Confident	31 Å²	31	48.3 Å²	48.3	14%	0.135	22%	0.217	C	C	.	.	H	α-helix	trans	-56.4	-52.2	179.8	167.9	-174.1	155.3	-147.8	0	111.7	P868 Y900 E901 C908	P868-K904 HydrophobicContact CB-CG 4.21Å; P868-K904 HydrophobicContact CG-CG 4.42Å; Y900-K904 HydrophobicContact CD1-CD 4.38Å; Y900-K904 HydrophobicContact CE1-CB 4.43Å; Y900-K904 HydrophobicContact CE1-CD 3.58Å; Y900-K904 WeakPolarHBondContact O-CB 3.33Å; Y900-K904 PolarHBondContact O-N 3.31Å; E901-K904 IonicContact OE1-NZ 2.74Å; E901-K904 PolarHBondContact OE1-NZ 3.5Å; E901-K904 WeakPolarHBondContact OE2-CD 3.5Å; E901-K904 WeakPolarHBondContact OE2-CE 3.48Å; E901-K904 IonicContact OE2-NZ 3.85Å; E901-K904 PolarHBondContact OE2-NZ 2.99Å; K904-C908 WeakPolarHBondContact O-CA 3.38Å; K904-C908 PolarHBondContact O-N 2.95Å
905	W	81.1	Confident	87.5	Confident	91 Å²	91	48.1 Å²	48.1	35%	0.345	22%	0.216	S	C	.	.	H	α-helix	trans	-77.1	-31.1	-175.6	-74.3	113.8	0	0	0	113.4	L688 E901 T1170	L688-W905 HydrophobicContact CD2-CH2 4.45Å; L688-W905 HydrophobicContact CD2-CZ2 4.28Å; L688-W905 PolarHBondContact O-NE1 3.46Å; E901-W905 WeakPolarHBondContact O-CB 3.33Å; E901-W905 PolarHBondContact O-N 3.41Å; E901-W905 PolarHBondContact OE2-NE1 3.14Å; W905-T1170 HydrophobicContact CD2-CG2 3.93Å; W905-T1170 HydrophobicContact CE3-CG2 3.89Å; W905-T1170 HydrophobicContact CH2-CG2 3.81Å; W905-T1170 HydrophobicContact CZ2-CG2 3.84Å; W905-T1170 HydrophobicContact CZ3-CG2 3.84Å
906	F	85.9	Confident	88.1	Confident	90 Å²	90	48.1 Å²	48.1	40%	0.395	22%	0.216	S	C	.	.	H	α-helix	trans	-73.9	-43.9	177.5	-179.3	-112.5	0	0	0	112.5	E902 Q965 D966	E902-F906 VanDerWaalsContact O-CB 3.29Å; E902-F906 WeakPolarHBondContact O-CB 3.27Å; E902-F906 PolarHBondContact O-N 2.92Å; E902-F906 VanDerWaalsContact O-N 3.15Å; F906-Q965 HydrophobicContact CD1-CG 4.22Å; F906-Q965 HydrophobicContact CE1-CB 4.05Å; F906-Q965 HydrophobicContact CE1-CG 3.81Å; F906-Q965 HydrophobicContact CE2-CB 4.08Å; F906-Q965 HydrophobicContact CZ-CB 3.71Å; F906-Q965 HydrophobicContact CZ-CG 4.03Å; F906-Q965 WeakPolarHBondContact O-CA 3.47Å; F906-Q965 PolarHBondContact O-N 2.85Å; F906-D966 WeakPolarHBondContact CE2-OD2 3.21Å
907	R	87.2	Confident	88.7	Confident	89 Å²	89	47.7 Å²	47.7	34%	0.336	21%	0.212	S	C	.	.	H	α-helix	trans	-92.8	-26.6	-177.2	-65.3	-174.6	172.4	-129.3	-12.9	114.2	W903 P909 T964 Q965	W903-R907 WeakPolarHBondContact O-CB 3.32Å; W903-R907 PolarHBondContact O-N 3.25Å; R907-P909 VanDerWaalsContact C-CD 3.48Å; R907-P909 HydrophobicContact CB-CB 4.33Å; R907-P909 HydrophobicContact CB-CG 4.24Å; R907-T964 VanDerWaalsContact O-CB 3.31Å; R907-T964 WeakPolarHBondContact O-CB 3.21Å; R907-T964 VanDerWaalsContact O-CG2 3.23Å; R907-T964 WeakPolarHBondContact O-CG2 3.47Å; R907-Q965 HydrophobicContact CG-CG 4.44Å
908	C	88.7	Confident	89.7	Confident	31 Å²	31	45.7 Å²	45.7	21%	0.209	20%	0.198	C	C	.	.			trans	42.8	43.2	-170.3	-162.6	0	0	0	0	113.9	K904 T910 Y962 T964 H972	K904-C908 WeakPolarHBondContact O-CA 3.38Å; K904-C908 PolarHBondContact O-N 2.95Å; C908-T910 PolarHBondContact O-N 2.72Å; C908-Y962 PolarHBondContact SG-OH 3.09Å; C908-T964 HydrophobicContact CB-CG2 4Å; C908-H972 PolarHBondContact O-CE1 3.03Å
909	P	94	Very high	90.5	Very high	4 Å²	4	42.9 Å²	42.9	3%	0.026	20%	0.197	C	C	.	.			trans	-73.7	132.6	-157.8	31	-33.5	0	0	0	112.2	P868 W903 R907 E913 V914	P868-P909 VanDerWaalsContact CA-O 3.31Å; P868-P909 WeakPolarHBondContact CA-O 3.49Å; W903-P909 HydrophobicContact CD2-CG 4.41Å; W903-P909 HydrophobicContact CE3-CG 4.34Å; W903-P909 HydrophobicContact CH2-CG 3.5Å; W903-P909 HydrophobicContact CZ2-CB 4.44Å; W903-P909 HydrophobicContact CZ2-CG 3.58Å; W903-P909 HydrophobicContact CZ3-CG 3.9Å; R907-P909 VanDerWaalsContact C-CD 3.48Å; R907-P909 HydrophobicContact CB-CB 4.33Å; R907-P909 HydrophobicContact CB-CG 4.24Å; P909-E913 HydrophobicContact CB-CB 4.21Å; P909-V914 HydrophobicContact CB-CG2 4.03Å; P909-V914 HydrophobicContact CG-CG2 4.13Å
910	T	95.1	Very high	91	Very high	13 Å²	13	39.5 Å²	39.5	8%	0.08	19%	0.187	C	C	.	.			trans	-65.2	164.3	166.4	62.7	0	0	0	0	110.8	C908 L912 E913 V914	C908-T910 PolarHBondContact O-N 2.72Å; T910-L912 PolarHBondContact O-N 2.77Å; T910-E913 VanDerWaalsContact CB-OE2 3.32Å; T910-E913 WeakPolarHBondContact CB-OE2 3.15Å; T910-E913 WeakPolarHBondContact CG2-OE2 3.21Å; T910-E913 PolarHBondContact N-OE2 2.81Å; T910-E913 PolarHBondContact O-N 3.27Å; T910-E913 PolarHBondContact OG1-N 3.07Å; T910-E913 PolarHBondContact OG1-OE2 2.66Å; T910-V914 WeakPolarHBondContact O-CG2 3.29Å; T910-V914 PolarHBondContact O-N 2.98Å
911	L	94.8	Very high	91.4	Very high	3 Å²	3	38.8 Å²	38.8	2%	0.016	19%	0.185	C	C	.	.	H	α-helix	trans	-58.8	-35.2	177.4	-179.6	64.4	0	0	0	112.4	L813 I865 P869 L877 V914 L915 L928 L932	L813-L911 HydrophobicContact CD1-CD2 3.99Å; L813-L911 HydrophobicContact CD1-CG 4.16Å; L813-L911 HydrophobicContact CD2-CD2 4.05Å; I865-L911 PolarHBondContact O-N 3.18Å; P869-L911 HydrophobicContact CG-CD1 3.98Å; L877-L911 HydrophobicContact CD1-CD1 4.44Å; L911-V914 PolarHBondContact O-N 3.04Å; L911-L915 HydrophobicContact CD1-CD1 4.4Å; L911-L915 HydrophobicContact CG-CD1 4.01Å; L911-L915 WeakPolarHBondContact O-CD1 3.26Å; L911-L915 VanDerWaalsContact O-CG 3.3Å; L911-L915 WeakPolarHBondContact O-CG 3.18Å; L911-L915 PolarHBondContact O-N 2.82Å; L911-L915 VanDerWaalsContact O-N 3.17Å; L911-L928 HydrophobicContact CD2-CD2 3.71Å; L911-L932 HydrophobicContact CD2-CD1 3.86Å; L911-L932 HydrophobicContact CD2-CD2 3.71Å; L911-L932 HydrophobicContact CD2-CG 4.4Å
912	L	95.8	Very high	91.8	Very high	18 Å²	18	39.4 Å²	39.4	9%	0.094	19%	0.192	C	C	.	.	H	α-helix	trans	-62.6	-49.7	176.1	176.7	62.1	0	0	0	111.4	L809 A812 R816 T910 V914 L915 E916	L809-L912 HydrophobicContact CD1-CB 3.86Å; L809-L912 HydrophobicContact CD1-CD2 3.68Å; L809-L912 HydrophobicContact CD1-CG 4.45Å; A812-L912 HydrophobicContact CB-CD1 4.28Å; A812-L912 HydrophobicContact CB-CD2 3.5Å; R816-L912 HydrophobicContact CG-CD1 4.02Å; T910-L912 PolarHBondContact O-N 2.77Å; L912-V914 PolarHBondContact O-N 3.09Å; L912-L915 CarbonylContact O-C 3.52Å; L912-L915 WeakPolarHBondContact O-CA 3.37Å; L912-L915 PolarHBondContact O-N 3.25Å; L912-E916 HydrophobicContact CD1-CG 4.19Å; L912-E916 HydrophobicContact CG-CG 4.31Å; L912-E916 WeakPolarHBondContact O-CG 3.47Å; L912-E916 PolarHBondContact O-N 3.03Å
913	E	95.9	Very high	92.1	Very high	36 Å²	36	35.5 Å²	35.5	17%	0.168	17%	0.174	C	C	.	.	H	α-helix	trans	-62	-26.4	-180	-70.8	160.4	120.8	0	0	112.4	P909 T910 Q917 P970 H972	P909-E913 HydrophobicContact CB-CB 4.21Å; T910-E913 VanDerWaalsContact CB-OE2 3.32Å; T910-E913 WeakPolarHBondContact CB-OE2 3.15Å; T910-E913 WeakPolarHBondContact CG2-OE2 3.21Å; T910-E913 PolarHBondContact N-OE2 2.81Å; T910-E913 PolarHBondContact O-N 3.27Å; T910-E913 PolarHBondContact OG1-N 3.07Å; T910-E913 PolarHBondContact OG1-OE2 2.66Å; E913-Q917 VanDerWaalsContact O-CB 3.31Å; E913-Q917 WeakPolarHBondContact O-CB 3.33Å; E913-Q917 PolarHBondContact O-N 3.48Å; E913-P970 WeakPolarHBondContact OE1-CG 3.5Å; E913-H972 VanDerWaalsContact CD-NE2 3.3Å; E913-H972 IonicContact OE1-CD2 2.77Å; E913-H972 IonicContact OE1-CE1 3.31Å; E913-H972 IonicContact OE1-NE2 2.65Å; E913-H972 PolarHBondContact OE1-NE2 3.18Å; E913-H972 IonicContact OE2-CE1 3.8Å; E913-H972 PolarHBondContact OE2-CE1 2.89Å; E913-H972 IonicContact OE2-NE2 3.91Å; E913-H972 PolarHBondContact OE2-NE2 2.81Å
914	V	95.9	Very high	92.3	Very high	2 Å²	2	34.6 Å²	34.6	1%	0.012	17%	0.171	C	C	.	.	H	α-helix	trans	-71.1	-39.9	170.5	-179.9	0	0	0	0	111.5	P869 L874 L877 W903 P909 T910 L911 L912 E916 Q917 F918	P869-V914 HydrophobicContact CG-CG2 3.95Å; L874-V914 HydrophobicContact CD2-CG1 4.09Å; L877-V914 HydrophobicContact CD1-CG1 4.1Å; W903-V914 HydrophobicContact CH2-CG2 3.69Å; W903-V914 HydrophobicContact CZ2-CG2 3.81Å; P909-V914 HydrophobicContact CB-CG2 4.03Å; P909-V914 HydrophobicContact CG-CG2 4.13Å; T910-V914 WeakPolarHBondContact O-CG2 3.29Å; T910-V914 PolarHBondContact O-N 2.98Å; L911-V914 PolarHBondContact O-N 3.04Å; L912-V914 PolarHBondContact O-N 3.09Å; V914-E916 VanDerWaalsContact C-N 3.28Å; V914-E916 PolarHBondContact O-N 3Å; V914-Q917 PolarHBondContact O-N 2.85Å; V914-F918 HydrophobicContact CG1-CD2 3.84Å; V914-F918 HydrophobicContact CG1-CE2 4.26Å; V914-F918 VanDerWaalsContact O-CD2 3.27Å; V914-F918 WeakPolarHBondContact O-CD2 3.41Å; V914-F918 PolarHBondContact O-N 3.15Å
915	L	95.3	Very high	92.6	Very high	1 Å²	1	33.2 Å²	33.2	1%	0.005	17%	0.166	C	C	.	.	H	α-helix	trans	-77.8	-12.4	177.3	-61.7	161	0	0	0	113.6	L813 R816 L911 L912 V921 L923	L813-L915 HydrophobicContact CD1-CD1 3.44Å; L813-L915 VanDerWaalsContact CD1-CD1 3.44Å; R816-L915 HydrophobicContact CB-CD1 4.29Å; R816-L915 HydrophobicContact CG-CB 4.48Å; R816-L915 PolarHBondContact NE-O 3.3Å; R816-L915 PolarHBondContact NH2-O 2.98Å; L911-L915 HydrophobicContact CD1-CD1 4.4Å; L911-L915 HydrophobicContact CG-CD1 4.01Å; L911-L915 WeakPolarHBondContact O-CD1 3.26Å; L911-L915 VanDerWaalsContact O-CG 3.3Å; L911-L915 WeakPolarHBondContact O-CG 3.18Å; L911-L915 PolarHBondContact O-N 2.82Å; L911-L915 VanDerWaalsContact O-N 3.17Å; L912-L915 CarbonylContact O-C 3.52Å; L912-L915 WeakPolarHBondContact O-CA 3.37Å; L912-L915 PolarHBondContact O-N 3.25Å; L915-V921 HydrophobicContact CD2-CB 4.09Å; L915-V921 HydrophobicContact CD2-CG1 3.84Å; L915-L923 HydrophobicContact CD1-CD2 3.4Å; L915-L923 VanDerWaalsContact CD1-CD2 3.4Å; L915-L923 HydrophobicContact CD2-CB 4.46Å; L915-L923 HydrophobicContact CD2-CD2 3.88Å; L915-L923 HydrophobicContact CG-CD2 4.28Å
916	E	94.6	Very high	93.1	Very high	118 Å²	118	29.8 Å²	29.8	55%	0.551	16%	0.155	S	C	*	.	H	α-helix	trans	-88.3	-36	166.9	-68.4	173.3	158.5	0	0	111.3	L912 V914	L912-E916 HydrophobicContact CD1-CG 4.19Å; L912-E916 HydrophobicContact CG-CG 4.31Å; L912-E916 WeakPolarHBondContact O-CG 3.47Å; L912-E916 PolarHBondContact O-N 3.03Å; V914-E916 VanDerWaalsContact C-N 3.28Å; V914-E916 PolarHBondContact O-N 3Å
917	Q	94.1	Very high	93.3	Very high	60 Å²	60	25.6 Å²	25.6	28%	0.28	14%	0.137	S	C	.	.	H	α-helix	trans	-69.9	-32.4	172.5	-178.6	174.9	-27.1	0	0	112.4	E913 V914 P919	E913-Q917 VanDerWaalsContact O-CB 3.31Å; E913-Q917 WeakPolarHBondContact O-CB 3.33Å; E913-Q917 PolarHBondContact O-N 3.48Å; V914-Q917 PolarHBondContact O-N 2.85Å; Q917-P919 WeakPolarHBondContact O-CD 3.41Å
918	F	96.1	Very high	93.5	Very high	8 Å²	8	21.4 Å²	21.4	4%	0.035	12%	0.121	C	C	.	.	S	Bend	trans	-123.4	73.8	-179.8	-55.2	-70	0	0	0	110.1	E886 E889 L890 L893 V914 S920 V921	E886-F918 HydrophobicContact CB-CD1 3.94Å; E886-F918 HydrophobicContact CG-CD1 4.05Å; E886-F918 WeakPolarHBondContact OE2-CA 3.49Å; E889-F918 HydrophobicContact CB-CE1 3.87Å; E889-F918 HydrophobicContact CB-CZ 4.41Å; E889-F918 HydrophobicContact CG-CE1 3.66Å; E889-F918 HydrophobicContact CG-CZ 3.82Å; L890-F918 HydrophobicContact CD1-CB 4.04Å; L890-F918 HydrophobicContact CD1-CD1 4.24Å; L890-F918 HydrophobicContact CD1-CD2 4.2Å; L890-F918 HydrophobicContact CD1-CG 3.9Å; L890-F918 HydrophobicContact CD2-CD2 3.52Å; L890-F918 HydrophobicContact CD2-CE2 3.5Å; L890-F918 VanDerWaalsContact CD2-CE2 3.5Å; L890-F918 HydrophobicContact CD2-CG 4.05Å; L890-F918 HydrophobicContact CD2-CZ 4.02Å; L890-F918 HydrophobicContact CG-CD1 4Å; L890-F918 HydrophobicContact CG-CD2 3.87Å; L890-F918 HydrophobicContact CG-CE1 4.1Å; L890-F918 HydrophobicContact CG-CE2 3.97Å; L890-F918 HydrophobicContact CG-CG 3.88Å; L890-F918 HydrophobicContact CG-CZ 4.07Å; L893-F918 HydrophobicContact CD1-CE2 4.35Å; L893-F918 HydrophobicContact CD1-CZ 3.91Å; V914-F918 HydrophobicContact CG1-CD2 3.84Å; V914-F918 HydrophobicContact CG1-CE2 4.26Å; V914-F918 VanDerWaalsContact O-CD2 3.27Å; V914-F918 WeakPolarHBondContact O-CD2 3.41Å; V914-F918 PolarHBondContact O-N 3.15Å; F918-S920 VanDerWaalsContact C-N 3.25Å; F918-S920 PolarHBondContact O-N 3.05Å; F918-V921 HydrophobicContact CB-CG2 3.84Å; F918-V921 WeakPolarHBondContact O-CG2 3.5Å; F918-V921 PolarHBondContact O-N 3.14Å
919	P	95.4	Very high	93.6	Very high	75 Å²	75	20.2 Å²	20.2	49%	0.487	11%	0.113	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-25	-172	24.4	-35.1	0	0	0	114.6	R816 E886 Q917 V921	R816-P919 PolarHBondContact NH2-O 3.14Å; E886-P919 VanDerWaalsContact OE1-CD 3.29Å; E886-P919 WeakPolarHBondContact OE1-CD 3.02Å; E886-P919 WeakPolarHBondContact OE1-CG 3.4Å; Q917-P919 WeakPolarHBondContact O-CD 3.41Å; P919-V921 PolarHBondContact O-N 3.02Å
920	S	95.6	Very high	93.2	Very high	23 Å²	23	20.8 Å²	20.8	16%	0.161	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.6	-1.5	-179.2	75	0	0	0	0	114.7	E882 E883 E886 F918 A922	E882-S920 PolarHBondContact N-O 2.8Å; E882-S920 PolarHBondContact N-OG 3.23Å; E883-S920 PolarHBondContact N-OG 3.07Å; E883-S920 VanDerWaalsContact N-OG 3.15Å; E886-S920 VanDerWaalsContact OE2-CB 3.23Å; E886-S920 WeakPolarHBondContact OE2-CB 3.4Å; E886-S920 PolarHBondContact OE2-N 2.93Å; E886-S920 PolarHBondContact OE2-OG 3.07Å; F918-S920 VanDerWaalsContact C-N 3.25Å; F918-S920 PolarHBondContact O-N 3.05Å; S920-A922 PolarHBondContact O-N 3.25Å; S920-A922 VanDerWaalsContact O-N 3.15Å
921	V	94.3	Very high	92.7	Very high	4 Å²	4	22.5 Å²	22.5	2%	0.024	12%	0.123	C	C	.	.	B	Isolated β-bridge	trans	-74.2	102.2	179.3	177.5	0	0	0	0	110.7	L877 L880 A881 L890 L915 F918 P919 L923	L877-V921 HydrophobicContact CB-CG1 4.13Å; L877-V921 HydrophobicContact CD2-CG1 3.96Å; L880-V921 HydrophobicContact CB-CG1 4.25Å; L880-V921 WeakPolarHBondContact O-CA 3.39Å; A881-V921 HydrophobicContact CB-CG2 4Å; L890-V921 HydrophobicContact CD1-CG2 3.81Å; L915-V921 HydrophobicContact CD2-CB 4.09Å; L915-V921 HydrophobicContact CD2-CG1 3.84Å; F918-V921 HydrophobicContact CB-CG2 3.84Å; F918-V921 WeakPolarHBondContact O-CG2 3.5Å; F918-V921 PolarHBondContact O-N 3.14Å; P919-V921 PolarHBondContact O-N 3.02Å; V921-L923 PolarHBondContact O-N 2.87Å
922	A	88.8	Confident	92.4	Very high	24 Å²	24	22.6 Å²	22.6	20%	0.198	12%	0.123	C	C	.	.			trans	-72.5	110.2	172.1	0	0	0	0	0	109.9	L880 S920 P924	L880-A922 WeakPolarHBondContact CB-O 3.48Å; L880-A922 PolarHBondContact O-N 3.18Å; S920-A922 PolarHBondContact O-N 3.25Å; S920-A922 VanDerWaalsContact O-N 3.15Å; A922-P924 WeakPolarHBondContact O-CD 3.24Å
923	L	91.1	Very high	91.9	Very high	1 Å²	1	25 Å²	25	1%	0.005	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	94.7	-164.2	-178.4	66.9	0	0	0	113.2	L813 V817 E818 L877 L915 V921 L927 L928	L813-L923 HydrophobicContact CD1-CD2 4.36Å; V817-L923 WeakPolarHBondContact CA-O 3.34Å; E818-L923 PolarHBondContact N-O 3.49Å; L877-L923 HydrophobicContact CD2-CD1 3.95Å; L915-L923 HydrophobicContact CD1-CD2 3.4Å; L915-L923 VanDerWaalsContact CD1-CD2 3.4Å; L915-L923 HydrophobicContact CD2-CB 4.46Å; L915-L923 HydrophobicContact CD2-CD2 3.88Å; L915-L923 HydrophobicContact CG-CD2 4.28Å; V921-L923 PolarHBondContact O-N 2.87Å; L923-L927 HydrophobicContact CD1-CD2 4.24Å; L923-L928 HydrophobicContact CD1-CD2 4.09Å; L923-L928 HydrophobicContact CD1-CG 4.31Å; L923-L928 HydrophobicContact CD2-CD1 4.1Å; L923-L928 HydrophobicContact CD2-CD2 4.13Å; L923-L928 HydrophobicContact CD2-CG 4.4Å; L923-L928 HydrophobicContact CG-CD1 4.25Å; L923-L928 HydrophobicContact CG-CD2 4.34Å; L923-L928 HydrophobicContact CG-CG 4.29Å
924	P	92.5	Very high	91.5	Very high	5 Å²	5	25.5 Å²	25.5	3%	0.032	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	135.4	-175.5	31	-36.6	0	0	0	112.5	W730 L880 A922 P926 L927	W730-P924 HydrophobicContact CH2-CB 4.17Å; W730-P924 HydrophobicContact CH2-CG 3.38Å; W730-P924 HydrophobicContact CZ2-CG 4.2Å; W730-P924 HydrophobicContact CZ3-CG 3.92Å; L880-P924 HydrophobicContact CD1-CG 4.46Å; A922-P924 WeakPolarHBondContact O-CD 3.24Å; P924-P926 VanDerWaalsContact C-CD 3.41Å; P924-P926 VanDerWaalsContact O-N 3.16Å; P924-L927 HydrophobicContact CG-CB 4.21Å; P924-L927 WeakPolarHBondContact O-CB 3.45Å; P924-L927 PolarHBondContact O-N 3.45Å
925	A	92.6	Very high	91.3	Very high	2 Å²	2	25.6 Å²	25.6	2%	0.017	14%	0.144	C	C	.	.	H	α-helix	trans	-49	-40.6	-177.5	0	0	0	0	0	116.3	L737 V817 L855 L927 L928 L929	L737-A925 HydrophobicContact CD1-CB 4.11Å; V817-A925 HydrophobicContact CG1-CB 3.97Å; L855-A925 HydrophobicContact CD1-CB 4.36Å; L855-A925 HydrophobicContact CD2-CB 3.8Å; A925-L927 PolarHBondContact O-N 3.44Å; A925-L928 PolarHBondContact O-N 3.37Å; A925-L929 PolarHBondContact O-N 3.01Å
926	P	91.8	Very high	90.9	Very high	19 Å²	19	28.7 Å²	28.7	12%	0.123	16%	0.159	C	C	.	.	H	α-helix	trans	-68.9	-15.2	178.7	-13.7	27	0	0	0	114.3	W730 L737 P924 T930	W730-P926 HydrophobicContact CZ2-CB 4.23Å; W730-P926 PolarHBondContact NE1-O 2.73Å; L737-P926 HydrophobicContact CD2-CB 4.18Å; L737-P926 HydrophobicContact CD2-CG 3.87Å; L737-P926 HydrophobicContact CG-CG 4.02Å; P924-P926 VanDerWaalsContact C-CD 3.41Å; P924-P926 VanDerWaalsContact O-N 3.16Å; P926-T930 WeakPolarHBondContact O-CB 3.24Å; P926-T930 VanDerWaalsContact O-CG2 3.31Å; P926-T930 WeakPolarHBondContact O-CG2 3.29Å; P926-T930 PolarHBondContact O-N 3.45Å; P926-T930 PolarHBondContact O-OG1 3.23Å
927	L	90.1	Very high	90.8	Very high	1 Å²	1	24 Å²	24	1%	0.005	14%	0.138	C	C	.	.	H	α-helix	trans	-70.8	-48.4	169.6	-176.7	157.2	0	0	0	109.7	W730 L873 L876 L880 L923 P924 A925 L929 T930 Q931	W730-L927 HydrophobicContact CD2-CB 4.14Å; W730-L927 HydrophobicContact CD2-CD1 4.21Å; W730-L927 HydrophobicContact CD2-CG 4.29Å; W730-L927 HydrophobicContact CE3-CB 4.47Å; W730-L927 HydrophobicContact CE3-CD1 4.02Å; W730-L927 HydrophobicContact CH2-CB 4.17Å; W730-L927 HydrophobicContact CZ2-CB 3.81Å; W730-L927 HydrophobicContact CZ3-CB 4.47Å; W730-L927 HydrophobicContact CZ3-CD1 4.32Å; L873-L927 HydrophobicContact CD1-CD2 4.07Å; L876-L927 HydrophobicContact CB-CD1 4.46Å; L880-L927 HydrophobicContact CD1-CD1 3.45Å; L880-L927 VanDerWaalsContact CD1-CD1 3.45Å; L923-L927 HydrophobicContact CD1-CD2 4.24Å; P924-L927 HydrophobicContact CG-CB 4.21Å; P924-L927 WeakPolarHBondContact O-CB 3.45Å; P924-L927 PolarHBondContact O-N 3.45Å; A925-L927 PolarHBondContact O-N 3.44Å; L927-L929 PolarHBondContact O-N 3.17Å; L927-T930 PolarHBondContact O-N 3.34Å; L927-T930 PolarHBondContact O-OG1 2.79Å; L927-Q931 HydrophobicContact CD2-CB 4.18Å; L927-Q931 HydrophobicContact CD2-CG 4.29Å; L927-Q931 HydrophobicContact CG-CB 4.4Å; L927-Q931 HydrophobicContact CG-CG 3.95Å; L927-Q931 VanDerWaalsContact O-CB 3.31Å; L927-Q931 WeakPolarHBondContact O-CB 3.39Å; L927-Q931 WeakPolarHBondContact O-CG 3.46Å; L927-Q931 PolarHBondContact O-N 3.2Å
928	L	90.8	Very high	90.8	Very high	1 Å²	1	24.4 Å²	24.4	1%	0.005	14%	0.137	C	C	.	.	H	α-helix	trans	-58	-50.3	-179.3	-66.1	171.7	0	0	0	111.6	V817 L859 L911 L923 A925 T930 L932	V817-L928 HydrophobicContact CG2-CD1 3.66Å; L859-L928 HydrophobicContact CD2-CD1 4.46Å; L911-L928 HydrophobicContact CD2-CD2 3.71Å; L923-L928 HydrophobicContact CD1-CD2 4.09Å; L923-L928 HydrophobicContact CD1-CG 4.31Å; L923-L928 HydrophobicContact CD2-CD1 4.1Å; L923-L928 HydrophobicContact CD2-CD2 4.13Å; L923-L928 HydrophobicContact CD2-CG 4.4Å; L923-L928 HydrophobicContact CG-CD1 4.25Å; L923-L928 HydrophobicContact CG-CD2 4.34Å; L923-L928 HydrophobicContact CG-CG 4.29Å; A925-L928 PolarHBondContact O-N 3.37Å; L928-T930 PolarHBondContact O-N 3.1Å; L928-L932 HydrophobicContact CB-CD1 4.41Å; L928-L932 HydrophobicContact CD2-CD1 3.81Å; L928-L932 HydrophobicContact CD2-CD2 4.18Å; L928-L932 HydrophobicContact CD2-CG 4Å; L928-L932 WeakPolarHBondContact O-CG 3.35Å; L928-L932 PolarHBondContact O-N 3.43Å
929	L	91	Very high	90.6	Very high	7 Å²	7	28 Å²	28	4%	0.037	15%	0.152	C	C	.	.	H	α-helix	trans	-62.9	-24.3	-178.8	-61.9	177	0	0	0	113.8	L737 V827 V829 L850 L855 A858 L863 A925 L927	L737-L929 HydrophobicContact CD2-CD1 3.71Å; V827-L929 HydrophobicContact CG2-CD1 4.34Å; V829-L929 HydrophobicContact CG2-CB 3.59Å; V829-L929 HydrophobicContact CG2-CD1 3.66Å; V829-L929 HydrophobicContact CG2-CG 4.28Å; L850-L929 HydrophobicContact CD1-CB 4.3Å; L850-L929 HydrophobicContact CD1-CD2 3.95Å; L855-L929 HydrophobicContact CD1-CD1 4.43Å; L855-L929 HydrophobicContact CD1-CD2 3.8Å; L855-L929 HydrophobicContact CD1-CG 4.04Å; A858-L929 HydrophobicContact CB-CD2 3.38Å; L863-L929 HydrophobicContact CD1-CD2 4.09Å; A925-L929 PolarHBondContact O-N 3.01Å; L927-L929 PolarHBondContact O-N 3.17Å
930	T	86.1	Confident	90.7	Very high	15 Å²	15	26.4 Å²	26.4	9%	0.092	14%	0.136	C	C	.	.	H	α-helix	trans	-106.3	-27.4	-177.4	60.9	0	0	0	0	114.6	W730 Y735 V829 R849 P926 L927 L928	W730-T930 PolarHBondContact NE1-OG1 3.48Å; Y735-T930 HydrophobicContact CD1-CG2 3.9Å; Y735-T930 HydrophobicContact CE1-CG2 3.9Å; V829-T930 HydrophobicContact CB-CG2 4.5Å; V829-T930 HydrophobicContact CG1-CG2 3.73Å; V829-T930 HydrophobicContact CG2-CG2 4.33Å; R849-T930 PolarHBondContact NH1-O 3.15Å; P926-T930 WeakPolarHBondContact O-CB 3.24Å; P926-T930 VanDerWaalsContact O-CG2 3.31Å; P926-T930 WeakPolarHBondContact O-CG2 3.29Å; P926-T930 PolarHBondContact O-N 3.45Å; P926-T930 PolarHBondContact O-OG1 3.23Å; L927-T930 PolarHBondContact O-N 3.34Å; L927-T930 PolarHBondContact O-OG1 2.79Å; L928-T930 PolarHBondContact O-N 3.1Å
931	Q	85.3	Confident	90.7	Very high	49 Å²	49	25.5 Å²	25.5	23%	0.229	13%	0.129	C	C	.	.	H	α-helix	trans	-109.6	-24.3	-170.1	-54	-51.1	-68.2	0	0	115.2	W730 L873 L876 L927	W730-Q931 HydrophobicContact CB-CG 4.41Å; W730-Q931 HydrophobicContact CG-CG 4.29Å; L873-Q931 HydrophobicContact CD1-CB 4.36Å; L876-Q931 HydrophobicContact CD1-CG 3.93Å; L927-Q931 HydrophobicContact CD2-CB 4.18Å; L927-Q931 HydrophobicContact CD2-CG 4.29Å; L927-Q931 HydrophobicContact CG-CB 4.4Å; L927-Q931 HydrophobicContact CG-CG 3.95Å; L927-Q931 VanDerWaalsContact O-CB 3.31Å; L927-Q931 WeakPolarHBondContact O-CB 3.39Å; L927-Q931 WeakPolarHBondContact O-CG 3.46Å; L927-Q931 PolarHBondContact O-N 3.2Å
932	L	87.5	Confident	90.9	Very high	5 Å²	5	25.3 Å²	25.3	3%	0.026	13%	0.128	C	C	.	.	S	Bend	trans	-65.8	156.8	176.7	-66.2	-169	0	0	0	111.6	R849 L859 L863 I865 L873 L911 L928	R849-L932 VanDerWaalsContact CZ-O 3.24Å; R849-L932 PolarHBondContact NH1-O 3.45Å; R849-L932 PolarHBondContact NH2-O 3.25Å; L859-L932 HydrophobicContact CD2-CD1 4.18Å; L863-L932 HydrophobicContact CB-CB 4.31Å; L863-L932 HydrophobicContact CB-CD1 4.16Å; L863-L932 HydrophobicContact CD1-CD1 4.35Å; L863-L932 HydrophobicContact CD2-CB 4.27Å; I865-L932 HydrophobicContact CG2-CD1 3.97Å; L873-L932 HydrophobicContact CD2-CD2 3.71Å; L911-L932 HydrophobicContact CD2-CD1 3.86Å; L911-L932 HydrophobicContact CD2-CD2 3.71Å; L911-L932 HydrophobicContact CD2-CG 4.4Å; L928-L932 HydrophobicContact CB-CD1 4.41Å; L928-L932 HydrophobicContact CD2-CD1 3.81Å; L928-L932 HydrophobicContact CD2-CD2 4.18Å; L928-L932 HydrophobicContact CD2-CG 4Å; L928-L932 WeakPolarHBondContact O-CG 3.35Å; L928-L932 PolarHBondContact O-N 3.43Å
933	P	84.8	Confident	91.4	Very high	70 Å²	70	24.1 Å²	24.1	46%	0.455	12%	0.119	S	C	.	.	P	Polyproline II helix	trans	-65.3	162.1	168.1	-16.8	31.3	0	0	0	111.9	L863 D864	L863-P933 WeakPolarHBondContact CA-O 3.38Å; D864-P933 HydrophobicContact CB-CB 4.15Å; D864-P933 PolarHBondContact N-O 3.35Å
934	L	87.2	Confident	91.7	Very high	45 Å²	45	24.1 Å²	24.1	24%	0.236	12%	0.119	C	C	.	.	B	Isolated β-bridge	trans	-80.5	139.3	169.6	-67.1	173.5	0	0	0	110.5	V753 R849 L850 F862 L863 Q936	V753-L934 HydrophobicContact CG1-CD1 3.84Å; V753-L934 HydrophobicContact CG1-CD2 3.76Å; V753-L934 HydrophobicContact CG1-CG 4.28Å; R849-L934 VanDerWaalsContact NH2-CD2 3.33Å; L850-L934 HydrophobicContact CD2-CD2 4.06Å; F862-L934 CarbonylContact O-C 3.49Å; F862-L934 VanDerWaalsContact O-CA 3.25Å; F862-L934 WeakPolarHBondContact O-CA 3.33Å; F862-L934 WeakPolarHBondContact O-CD2 3.23Å; L863-L934 HydrophobicContact CD2-CD2 4.34Å; L934-Q936 PolarHBondContact O-N 2.67Å; L934-Q936 PolarHBondContact O-NE2 2.7Å
935	L	92.2	Very high	91.9	Very high	4 Å²	4	23.9 Å²	23.9	2%	0.021	12%	0.117	C	C	.	.			trans	-68	113.3	177.7	-174.1	61.9	0	0	0	110.1	H754 P803 F862 D864	H754-L935 PolarHBondContact CE1-O 3.03Å; H754-L935 VanDerWaalsContact CE1-O 3.24Å; P803-L935 WeakPolarHBondContact O-CD2 3.33Å; F862-L935 PolarHBondContact O-N 3.15Å; D864-L935 HydrophobicContact CB-CD1 4.42Å
936	Q	87.8	Confident	92.1	Very high	66 Å²	66	25.8 Å²	25.8	31%	0.308	13%	0.129	S	C	.	.			trans	-79.8	146.8	-173.4	-61.1	-55.8	-65.5	0	0	113.1	L934 R938	L934-Q936 PolarHBondContact O-N 2.67Å; L934-Q936 PolarHBondContact O-NE2 2.7Å; Q936-R938 WeakPolarHBondContact O-CD 3.34Å; Q936-R938 PolarHBondContact O-NH1 3.1Å
937	P	92	Very high	92.1	Very high	20 Å²	20	26.3 Å²	26.3	13%	0.13	13%	0.134	C	C	.	.			trans	-58.8	151.1	163.9	-16.7	29.9	0	0	0	110.8	V801 F992	V801-P937 CarbonylContact O-C 3.55Å; V801-P937 VanDerWaalsContact O-CA 3.23Å; V801-P937 WeakPolarHBondContact O-CA 3.27Å; P937-F992 HydrophobicContact CB-CE1 3.97Å; P937-F992 HydrophobicContact CB-CZ 4.34Å; P937-F992 HydrophobicContact CG-CE1 4Å; P937-F992 HydrophobicContact CG-CZ 4.43Å
938	R	93.7	Very high	92.3	Very high	69 Å²	69	28.6 Å²	28.6	26%	0.26	15%	0.148	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	133.3	173.1	-86.7	61	175.5	-163.1	-1.6	109	V801 Q936 Y940 C976	V801-R938 PolarHBondContact N-O 2.95Å; V801-R938 PolarHBondContact O-N 2.82Å; Q936-R938 WeakPolarHBondContact O-CD 3.34Å; Q936-R938 PolarHBondContact O-NH1 3.1Å; R938-Y940 HydrophobicContact CB-CE2 4.22Å; R938-C976 HydrophobicContact CB-CB 3.81Å; R938-C976 HydrophobicContact CG-CB 3.85Å
939	Y	92.8	Very high	92.5	Very high	84 Å²	84	31 Å²	31	33%	0.329	16%	0.159	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	143.3	-179.2	-67.2	-71.7	0	0	0	111.8	I799 F992 R994	I799-Y939 VanDerWaalsContact O-CA 3.31Å; I799-Y939 WeakPolarHBondContact O-CA 3.5Å; Y939-F992 AromaticContact CE1-CE2 3.76Å; Y939-F992 HydrophobicContact CE1-CE2 3.76Å; Y939-F992 AromaticContact CE1-CZ 3.75Å; Y939-F992 HydrophobicContact CE1-CZ 3.75Å; Y939-R994 HydrophobicContact CE1-CB 4.14Å
940	Y	96.5	Very high	92.6	Very high	40 Å²	40	35.5 Å²	35.5	16%	0.157	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140	133.6	172.7	-59.8	-76.1	0	0	0	109.5	H798 I799 V801 R938 L955 V957 C976 L980	H798-Y940 CarbonylContact C-O 3.53Å; H798-Y940 VanDerWaalsContact CA-O 3.31Å; H798-Y940 WeakPolarHBondContact CA-O 3.05Å; I799-Y940 PolarHBondContact N-O 3.15Å; I799-Y940 PolarHBondContact O-N 3.31Å; V801-Y940 HydrophobicContact CB-CE2 4.41Å; V801-Y940 HydrophobicContact CG2-CD2 4.15Å; V801-Y940 HydrophobicContact CG2-CE2 4.44Å; R938-Y940 HydrophobicContact CB-CE2 4.22Å; Y940-L955 HydrophobicContact CD2-CD1 4.34Å; Y940-V957 HydrophobicContact CD1-CG2 3.88Å; Y940-V957 HydrophobicContact CE1-CB 4.27Å; Y940-V957 HydrophobicContact CE1-CG1 3.74Å; Y940-V957 HydrophobicContact CE1-CG2 3.83Å; Y940-V957 HydrophobicContact CG-CG2 4.27Å; Y940-C976 WeakPolarHBondContact OH-CB 3.42Å; Y940-C976 PolarHBondContact OH-SG 3.05Å; Y940-C976 VanDerWaalsContact OH-SG 3.37Å; Y940-L980 HydrophobicContact CE2-CD1 3.81Å
941	S	96.9	Very high	93	Very high	4 Å²	4	36.4 Å²	36.4	3%	0.028	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	134.4	173	-34.8	0	0	0	0	109.7	H798 S943 D1158 F1160	H798-S941 PolarHBondContact CD2-OG 3.16Å; S941-S943 PolarHBondContact O-N 2.93Å; S941-D1158 PolarHBondContact OG-OD2 2.98Å; S941-F1160 VanDerWaalsContact OG-CE1 3.29Å; S941-F1160 WeakPolarHBondContact OG-CE1 3.33Å
942	V	98.1	Very high	93.6	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	19%	0.192	C	C	.	.	B	Isolated β-bridge	trans	-74.1	127.5	-176.3	177.8	0	0	0	0	110.2	Y793 D797 I799 S944 I953 L955	Y793-V942 HydrophobicContact CD2-CB 4.25Å; Y793-V942 HydrophobicContact CD2-CG1 3.73Å; Y793-V942 HydrophobicContact CE2-CB 4.35Å; Y793-V942 HydrophobicContact CE2-CG1 3.39Å; Y793-V942 HydrophobicContact CG-CG1 4.5Å; D797-V942 WeakPolarHBondContact O-CB 3.41Å; D797-V942 WeakPolarHBondContact O-CG2 3.49Å; D797-V942 PolarHBondContact O-N 3.18Å; I799-V942 HydrophobicContact CB-CG2 4.37Å; V942-S944 WeakPolarHBondContact CG1-OG 3.25Å; V942-I953 HydrophobicContact CG1-CG2 3.89Å; V942-I953 HydrophobicContact CG2-CG2 3.92Å; V942-L955 HydrophobicContact CG2-CD2 4.39Å
943	S	98.1	Very high	94.1	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	19%	0.191	C	C	.	.			trans	-108.1	32.3	-173.9	64.2	0	0	0	0	113.7	S941 H954 L955 T956 A1019 R1022	S941-S943 PolarHBondContact O-N 2.93Å; S943-H954 PolarHBondContact N-O 3.13Å; S943-H954 PolarHBondContact OG-O 3.13Å; S943-L955 WeakPolarHBondContact OG-CA 3.48Å; S943-L955 PolarHBondContact OG-N 2.94Å; S943-T956 WeakPolarHBondContact CB-OG1 3.33Å; S943-T956 PolarHBondContact OG-N 3.19Å; S943-T956 PolarHBondContact OG-OG1 3.45Å; S943-A1019 WeakPolarHBondContact CA-O 3.25Å; S943-A1019 WeakPolarHBondContact CB-O 3.34Å; S943-R1022 VanDerWaalsContact O-CD 3.29Å; S943-R1022 WeakPolarHBondContact O-CD 3.23Å; S943-R1022 WeakPolarHBondContact O-CG 3.41Å; S943-R1022 PolarHBondContact O-NH1 2.92Å
944	S	98.2	Very high	94.8	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	17%	0.17	C	C	.	.	S	Bend	trans	-133.5	159.2	172	44.5	0	0	0	0	111.1	Y793 V942 H954 G1023	Y793-S944 PolarHBondContact OH-OG 3.2Å; V942-S944 WeakPolarHBondContact CG1-OG 3.25Å; S944-H954 PolarHBondContact OG-N 2.43Å; S944-G1023 WeakPolarHBondContact O-CA 3.31Å
945	A	96.9	Very high	95.3	Very high	0 Å²	0	29 Å²	29	0%	0	16%	0.158	C	C	.	.			trans	-100.8	134.7	162.1	0	0	0	0	0	110.5	P795 S947 T948 H949 Q1026 E1027	P795-A945 HydrophobicContact CG-CB 4.25Å; A945-S947 WeakPolarHBondContact CB-OG 3.41Å; A945-S947 PolarHBondContact O-N 2.78Å; A945-T948 PolarHBondContact O-N 2.94Å; A945-T948 VanDerWaalsContact O-N 3.1Å; A945-H949 PolarHBondContact O-N 2.73Å; A945-Q1026 HydrophobicContact CB-CB 3.63Å; A945-Q1026 VanDerWaalsContact N-OE1 3.17Å; A945-E1027 HydrophobicContact CB-CB 4.06Å
946	P	95.3	Very high	95.6	Very high	42 Å²	42	29 Å²	29	27%	0.273	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-21.5	180	31	-35.9	0	0	0	112.3	Y793 T948 P950	Y793-P946 HydrophobicContact CE1-CB 4.15Å; Y793-P946 HydrophobicContact CE2-CB 4.32Å; Y793-P946 HydrophobicContact CE2-CG 4.3Å; P946-T948 VanDerWaalsContact C-N 3.35Å; P946-P950 WeakPolarHBondContact O-CA 3.26Å; P946-P950 WeakPolarHBondContact O-CG 3.45Å
947	S	93.6	Very high	96.1	Very high	31 Å²	31	25.9 Å²	25.9	22%	0.217	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-33.1	170.8	56.7	0	0	0	0	113.4	A945 E1027 H1030	A945-S947 WeakPolarHBondContact CB-OG 3.41Å; A945-S947 PolarHBondContact O-N 2.78Å; S947-E1027 VanDerWaalsContact CB-OE2 3.24Å; S947-E1027 WeakPolarHBondContact CB-OE2 3.39Å; S947-E1027 VanDerWaalsContact OG-CD 3.28Å; S947-E1027 PolarHBondContact OG-OE2 3.35Å; S947-H1030 VanDerWaalsContact CB-CD2 3.47Å; S947-H1030 WeakPolarHBondContact CB-CD2 3.34Å
948	T	92.7	Very high	96.2	Very high	49 Å²	49	26.5 Å²	26.5	30%	0.301	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.4	-32.8	-176.8	-49.1	0	0	0	0	111.8	A945 P946 Q1026	A945-T948 PolarHBondContact O-N 2.94Å; A945-T948 VanDerWaalsContact O-N 3.1Å; P946-T948 VanDerWaalsContact C-N 3.35Å; T948-Q1026 PolarHBondContact OG1-O 2.8Å
949	H	95.3	Very high	96.3	Very high	51 Å²	51	24.8 Å²	24.8	24%	0.236	15%	0.148	C	C	.	.	S	Bend	trans	-127.7	72.3	176.3	-51.7	-86.2	0	0	0	110.7	A945 G951 E952 H954 Q1026	A945-H949 PolarHBondContact O-N 2.73Å; H949-G951 PolarHBondContact O-N 2.86Å; H949-E952 HydrophobicContact CB-CB 3.89Å; H949-E952 HydrophobicContact CB-CG 4.36Å; H949-E952 PolarHBondContact O-N 3.02Å; H949-H954 AromaticContact CD2-CE1 3.9Å; H949-H954 AromaticContact CG-CE1 3.72Å; H949-H954 AromaticContact CG-NE2 3.92Å; H949-H954 AromaticContact ND1-CE1 3.72Å; H949-Q1026 PolarHBondContact CD2-OE1 3.09Å; H949-Q1026 PolarHBondContact NE2-NE2 3.03Å; H949-Q1026 PolarHBondContact NE2-OE1 3.04Å
950	P	94.1	Very high	96.3	Very high	101 Å²	101	25.2 Å²	25.2	66%	0.656	16%	0.156	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.4	127.8	179.5	-24.4	34.4	0	0	0	111.9	P946 E952	P946-P950 WeakPolarHBondContact O-CA 3.26Å; P946-P950 WeakPolarHBondContact O-CG 3.45Å; P950-E952 VanDerWaalsContact C-N 3.29Å; P950-E952 PolarHBondContact O-N 2.76Å
951	G	94.8	Very high	96	Very high	34 Å²	34	25.9 Å²	25.9	35%	0.351	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	79.6	-0.4	-177.5	0	0	0	0	0	115.4	T785 H949	T785-G951 WeakPolarHBondContact CB-O 3.32Å; T785-G951 WeakPolarHBondContact CG2-O 3.49Å; T785-G951 PolarHBondContact N-O 3.35Å; T785-G951 WeakPolarHBondContact OG1-CA 3.44Å; T785-G951 PolarHBondContact OG1-O 3.25Å; H949-G951 PolarHBondContact O-N 2.86Å
952	E	97.5	Very high	95.6	Very high	12 Å²	12	29.5 Å²	29.5	6%	0.056	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	150.7	175.6	-58.3	-173.6	-127.1	0	0	113.3	R764 R782 L783 Y793 H949 P950 H954	R764-E952 IonicContact CZ-OE1 3.3Å; R764-E952 IonicContact CZ-OE2 2.85Å; R764-E952 IonicContact NE-OE1 3.24Å; R764-E952 IonicContact NE-OE2 3.17Å; R764-E952 IonicContact NH1-OE1 2.68Å; R764-E952 PolarHBondContact NH1-OE1 2.82Å; R764-E952 IonicContact NH1-OE2 3.57Å; R764-E952 IonicContact NH2-OE1 3.16Å; R764-E952 PolarHBondContact NH2-OE1 3.47Å; R782-E952 IonicContact CZ-OE2 2.68Å; R782-E952 VanDerWaalsContact CZ-OE2 3.26Å; R782-E952 IonicContact NE-OE2 3.47Å; R782-E952 PolarHBondContact NE-OE2 2.75Å; R782-E952 IonicContact NH2-OE1 3.7Å; R782-E952 PolarHBondContact NH2-OE1 2.83Å; R782-E952 IonicContact NH2-OE2 3.81Å; R782-E952 PolarHBondContact NH2-OE2 3.47Å; L783-E952 CarbonylContact O-C 3.53Å; L783-E952 VanDerWaalsContact O-CA 3.23Å; L783-E952 WeakPolarHBondContact O-CA 3.25Å; Y793-E952 VanDerWaalsContact CE1-O 3.32Å; Y793-E952 WeakPolarHBondContact CE1-O 3.44Å; Y793-E952 PolarHBondContact OH-O 3.2Å; H949-E952 HydrophobicContact CB-CB 3.89Å; H949-E952 HydrophobicContact CB-CG 4.36Å; H949-E952 PolarHBondContact O-N 3.02Å; P950-E952 VanDerWaalsContact C-N 3.29Å; P950-E952 PolarHBondContact O-N 2.76Å; E952-H954 IonicContact OE2-NE2 2.91Å; E952-H954 PolarHBondContact OE2-NE2 2.92Å
953	I	98.3	Very high	95.2	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	123.9	168.6	-64.9	165.8	0	0	0	108.3	L783 T785 L791 Y793 I799 V942 L955 I993	L783-I953 HydrophobicContact CB-CB 4.3Å; L783-I953 WeakPolarHBondContact CB-O 3.32Å; L783-I953 PolarHBondContact N-O 2.89Å; L783-I953 PolarHBondContact O-N 2.8Å; T785-I953 HydrophobicContact CG2-CD1 3.61Å; T785-I953 HydrophobicContact CG2-CG1 3.82Å; L791-I953 HydrophobicContact CB-CD1 4.28Å; Y793-I953 HydrophobicContact CD1-CD1 4.33Å; Y793-I953 HydrophobicContact CD1-CG1 3.8Å; Y793-I953 HydrophobicContact CE1-CD1 4.5Å; Y793-I953 HydrophobicContact CE1-CG1 3.52Å; I799-I953 HydrophobicContact CD1-CD1 4.11Å; I799-I953 HydrophobicContact CD1-CG2 4.25Å; V942-I953 HydrophobicContact CG1-CG2 3.89Å; V942-I953 HydrophobicContact CG2-CG2 3.92Å; I953-L955 HydrophobicContact CG2-CD2 4.02Å; I953-L955 HydrophobicContact CG2-CG 4.5Å; I953-I993 HydrophobicContact CD1-CD1 3.9Å
954	H	98.6	Very high	94.7	Very high	1 Å²	1	35.8 Å²	35.8	1%	0.005	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	145.6	175.7	-63.7	-176.2	0	0	0	111.3	L780 V781 R782 S943 S944 H949 E952 R1022	L780-H954 HydrophobicContact CD1-CB 3.84Å; V781-H954 CarbonylContact O-C 3.57Å; V781-H954 VanDerWaalsContact O-CA 3.3Å; V781-H954 WeakPolarHBondContact O-CA 3.3Å; R782-H954 PolarHBondContact NE-NE2 2.86Å; S943-H954 PolarHBondContact N-O 3.13Å; S943-H954 PolarHBondContact OG-O 3.13Å; S944-H954 PolarHBondContact OG-N 2.43Å; H949-H954 AromaticContact CD2-CE1 3.9Å; H949-H954 AromaticContact CG-CE1 3.72Å; H949-H954 AromaticContact CG-NE2 3.92Å; H949-H954 AromaticContact ND1-CE1 3.72Å; E952-H954 IonicContact OE2-NE2 2.91Å; E952-H954 PolarHBondContact OE2-NE2 2.92Å; H954-R1022 PolarHBondContact ND1-NH1 3.43Å
955	L	98.4	Very high	94.2	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	138.8	179.1	-50.4	174.5	0	0	0	111.6	L780 V781 L783 I799 V801 Y940 V942 S943 I953 V957	L780-L955 WeakPolarHBondContact CA-O 3.29Å; V781-L955 HydrophobicContact CB-CB 4.29Å; V781-L955 PolarHBondContact N-O 3.2Å; V781-L955 PolarHBondContact O-N 3.42Å; L783-L955 HydrophobicContact CD1-CD1 4.02Å; I799-L955 HydrophobicContact CG2-CD1 3.79Å; I799-L955 HydrophobicContact CG2-CD2 3.28Å; I799-L955 HydrophobicContact CG2-CG 4.16Å; V801-L955 HydrophobicContact CG2-CD1 4.39Å; Y940-L955 HydrophobicContact CD2-CD1 4.34Å; V942-L955 HydrophobicContact CG2-CD2 4.39Å; S943-L955 WeakPolarHBondContact OG-CA 3.48Å; S943-L955 PolarHBondContact OG-N 2.94Å; I953-L955 HydrophobicContact CG2-CD2 4.02Å; I953-L955 HydrophobicContact CG2-CG 4.5Å; L955-V957 HydrophobicContact CB-CG2 3.92Å
956	T	98.2	Very high	93.5	Very high	6 Å²	6	44.5 Å²	44.5	4%	0.037	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	91.3	177.2	-46.7	0	0	0	0	110	L769 T778 I779 S943 T1016 L1056 Y1057	L769-T956 HydrophobicContact CD1-CG2 3.96Å; T778-T956 HydrophobicContact CG2-CG2 4.09Å; I779-T956 CarbonylContact O-C 3.6Å; I779-T956 WeakPolarHBondContact O-CA 3.21Å; S943-T956 WeakPolarHBondContact CB-OG1 3.33Å; S943-T956 PolarHBondContact OG-N 3.19Å; S943-T956 PolarHBondContact OG-OG1 3.45Å; T956-T1016 HydrophobicContact CG2-CG2 4.33Å; T956-T1016 WeakPolarHBondContact O-CG2 3.3Å; T956-L1056 HydrophobicContact CG2-CD1 4.31Å; T956-Y1057 HydrophobicContact CG2-CE2 3.69Å; T956-Y1057 PolarHBondContact OG1-OH 3.21Å
957	V	97.6	Very high	92.9	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	117.3	-167.3	-179.6	0	0	0	0	111.4	T778 I779 V781 Y940 L955 V959 L980	T778-V957 CarbonylContact C-O 3.5Å; T778-V957 VanDerWaalsContact CA-O 3.32Å; T778-V957 WeakPolarHBondContact CA-O 3.44Å; I779-V957 HydrophobicContact CD1-CB 4.3Å; I779-V957 HydrophobicContact CG1-CB 3.8Å; I779-V957 HydrophobicContact CG1-CG1 4.45Å; I779-V957 WeakPolarHBondContact CG1-O 3.2Å; I779-V957 PolarHBondContact N-O 3.02Å; I779-V957 PolarHBondContact O-N 2.81Å; V781-V957 HydrophobicContact CG2-CG2 4.26Å; Y940-V957 HydrophobicContact CD1-CG2 3.88Å; Y940-V957 HydrophobicContact CE1-CB 4.27Å; Y940-V957 HydrophobicContact CE1-CG1 3.74Å; Y940-V957 HydrophobicContact CE1-CG2 3.83Å; Y940-V957 HydrophobicContact CG-CG2 4.27Å; L955-V957 HydrophobicContact CB-CG2 3.92Å; V957-V959 PolarHBondContact O-N 2.99Å; V957-L980 HydrophobicContact CG1-CD1 4.47Å; V957-L980 HydrophobicContact CG2-CD1 4.13Å
958	A	95.7	Very high	92.7	Very high	33 Å²	33	50.4 Å²	50.4	27%	0.273	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	123.5	167.8	0	0	0	0	0	109.8	L960 S977 T1016	A958-L960 PolarHBondContact O-N 3.13Å; A958-S977 WeakPolarHBondContact O-CB 3.47Å; A958-T1016 HydrophobicContact CB-CG2 3.74Å
959	V	95.3	Very high	92.6	Very high	33 Å²	33	48.3 Å²	48.3	20%	0.2	28%	0.275	C	S	.	.			trans	-79.3	111.4	179.5	-173.6	0	0	0	0	108.8	A777 I779 V957 T978	A777-V959 HydrophobicContact CB-CB 4.08Å; A777-V959 HydrophobicContact CB-CG2 3.87Å; A777-V959 PolarHBondContact O-N 3.29Å; A777-V959 VanDerWaalsContact O-N 3.12Å; I779-V959 HydrophobicContact CD1-CG2 4.25Å; I779-V959 HydrophobicContact CG1-CG2 4.26Å; I779-V959 HydrophobicContact CG2-CG2 4.08Å; V957-V959 PolarHBondContact O-N 2.99Å; V959-T978 HydrophobicContact CG1-CG2 3.85Å
960	L	92.3	Very high	92.3	Very high	92 Å²	92	48.8 Å²	48.8	48%	0.482	28%	0.282	S	S	.	.			trans	-88.7	115.7	-176	178.2	63.2	0	0	0	111	A958 Y962 G974 S977 T978	A958-L960 PolarHBondContact O-N 3.13Å; L960-Y962 HydrophobicContact CD1-CD1 4.02Å; L960-Y962 HydrophobicContact CD2-CE1 4.47Å; L960-Y962 HydrophobicContact CG-CD1 4.14Å; L960-Y962 HydrophobicContact CG-CE1 4.49Å; L960-G974 PolarHBondContact O-N 3.16Å; L960-S977 PolarHBondContact N-OG 3.02Å; L960-T978 WeakPolarHBondContact O-CG2 3.31Å
961	A	90.9	Very high	92.3	Very high	54 Å²	54	47.4 Å²	47.4	45%	0.446	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	137.4	162.9	0	0	0	0	0	109.2	L971 H972 Y973	A961-L971 HydrophobicContact CB-CD1 4.15Å; A961-H972 VanDerWaalsContact CA-O 3.28Å; A961-H972 WeakPolarHBondContact CA-O 3.46Å; A961-Y973 HydrophobicContact CB-CD1 4.37Å
962	Y	88.9	Confident	92.2	Very high	80 Å²	80	46.5 Å²	46.5	31%	0.314	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	152.5	-176.9	65.6	-85.3	0	0	0	111	C908 L960 T964 H972	C908-Y962 PolarHBondContact SG-OH 3.09Å; L960-Y962 HydrophobicContact CD1-CD1 4.02Å; L960-Y962 HydrophobicContact CD2-CE1 4.47Å; L960-Y962 HydrophobicContact CG-CD1 4.14Å; L960-Y962 HydrophobicContact CG-CE1 4.49Å; Y962-T964 HydrophobicContact CE2-CG2 4Å; Y962-H972 HydrophobicContact CD1-CB 4.28Å; Y962-H972 HydrophobicContact CD2-CB 4.24Å; Y962-H972 HydrophobicContact CE1-CB 3.82Å; Y962-H972 HydrophobicContact CE2-CB 3.77Å; Y962-H972 HydrophobicContact CG-CB 4.47Å; Y962-H972 PolarHBondContact N-O 3.04Å; Y962-H972 PolarHBondContact O-N 2.9Å
963	R	88.7	Confident	92	Very high	129 Å²	129	50.8 Å²	50.8	49%	0.487	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	139.4	171.2	-75.1	-176.8	177.1	-90	5.4	110.6	G967 G969 P970 L971	R963-G967 WeakPolarHBondContact CD-O 3.21Å; R963-G969 PolarHBondContact NH1-O 3.45Å; R963-P970 WeakPolarHBondContact CA-O 3.38Å; R963-L971 HydrophobicContact CG-CB 4.41Å; R963-L971 HydrophobicContact CG-CD1 4.13Å
964	T	87.9	Confident	91.8	Very high	3 Å²	3	51.5 Å²	51.5	2%	0.018	28%	0.28	C	S	.	.	S	Bend	trans	-77.4	-179.4	173	60.4	0	0	0	0	110.6	R907 C908 Y962 D966 G967 L968 G969 P970 H972	R907-T964 VanDerWaalsContact O-CB 3.31Å; R907-T964 WeakPolarHBondContact O-CB 3.21Å; R907-T964 VanDerWaalsContact O-CG2 3.23Å; R907-T964 WeakPolarHBondContact O-CG2 3.47Å; C908-T964 HydrophobicContact CB-CG2 4Å; Y962-T964 HydrophobicContact CE2-CG2 4Å; T964-D966 PolarHBondContact O-N 3.41Å; T964-G967 PolarHBondContact O-N 3.45Å; T964-G967 VanDerWaalsContact O-N 3.11Å; T964-L968 PolarHBondContact O-N 3.42Å; T964-G969 WeakPolarHBondContact O-CA 3.4Å; T964-G969 PolarHBondContact O-N 2.95Å; T964-P970 PolarHBondContact N-O 3Å; T964-P970 WeakPolarHBondContact OG1-CD 3.31Å; T964-H972 HydrophobicContact CG2-CB 4.47Å
965	Q	87	Confident	91.6	Very high	57 Å²	57	52.1 Å²	52.1	27%	0.266	28%	0.284	S	S	.	.	G	3₁₀ helix	trans	51.8	54.1	176	-52.1	177.8	24.1	0	0	112.1	F906 R907 G967 L968	F906-Q965 HydrophobicContact CD1-CG 4.22Å; F906-Q965 HydrophobicContact CE1-CB 4.05Å; F906-Q965 HydrophobicContact CE1-CG 3.81Å; F906-Q965 HydrophobicContact CE2-CB 4.08Å; F906-Q965 HydrophobicContact CZ-CB 3.71Å; F906-Q965 HydrophobicContact CZ-CG 4.03Å; F906-Q965 WeakPolarHBondContact O-CA 3.47Å; F906-Q965 PolarHBondContact O-N 2.85Å; R907-Q965 HydrophobicContact CG-CG 4.44Å; Q965-G967 PolarHBondContact O-N 3.39Å; Q965-L968 WeakPolarHBondContact O-CB 3.04Å; Q965-L968 PolarHBondContact O-N 2.73Å
966	D	81.6	Confident	91.6	Very high	127 Å²	127	52.2 Å²	52.2	68%	0.679	28%	0.284	S	S	*	.	G	3₁₀ helix	trans	50.3	29	-179.2	-57.6	-45.8	0	0	0	115.7	F906 T964	F906-D966 WeakPolarHBondContact CE2-OD2 3.21Å; T964-D966 PolarHBondContact O-N 3.41Å
967	G	84.4	Confident	91.5	Very high	37 Å²	37	52.3 Å²	52.3	38%	0.381	29%	0.285	S	S	.	.	G	3₁₀ helix	trans	104.9	-10.3	177	0	0	0	0	0	114.6	R963 T964 Q965	R963-G967 WeakPolarHBondContact CD-O 3.21Å; T964-G967 PolarHBondContact O-N 3.45Å; T964-G967 VanDerWaalsContact O-N 3.11Å; Q965-G967 PolarHBondContact O-N 3.39Å
968	L	88.6	Confident	91.5	Very high	160 Å²	160	53 Å²	53	84%	0.838	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.9	-21	-178.8	-58.2	177.2	0	0	0	113.1	T964 Q965	T964-L968 PolarHBondContact O-N 3.42Å; Q965-L968 WeakPolarHBondContact O-CB 3.04Å; Q965-L968 PolarHBondContact O-N 2.73Å
969	G	89.8	Confident	91.6	Very high	5 Å²	5	53.3 Å²	53.3	5%	0.052	28%	0.283	C	S	.	.	S	Bend	trans	-78.5	-176.9	-174.8	0	0	0	0	0	115.4	R963 T964	R963-G969 PolarHBondContact NH1-O 3.45Å; T964-G969 WeakPolarHBondContact O-CA 3.4Å; T964-G969 PolarHBondContact O-N 2.95Å
970	P	90.7	Very high	91.7	Very high	60 Å²	60	51.7 Å²	51.7	39%	0.39	27%	0.274	S	S	.	.			trans	-56.9	156.8	173.7	23.5	-34.3	0	0	0	112.9	E913 R963 T964	E913-P970 WeakPolarHBondContact OE1-CG 3.5Å; R963-P970 WeakPolarHBondContact CA-O 3.38Å; T964-P970 PolarHBondContact N-O 3Å; T964-P970 WeakPolarHBondContact OG1-CD 3.31Å
971	L	92.3	Very high	91.9	Very high	72 Å²	72	49.3 Å²	49.3	38%	0.377	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	113.9	179.9	-178.6	60.9	0	0	0	110.2	A961 R963 Y973	A961-L971 HydrophobicContact CB-CD1 4.15Å; R963-L971 HydrophobicContact CG-CB 4.41Å; R963-L971 HydrophobicContact CG-CD1 4.13Å; L971-Y973 HydrophobicContact CD2-CE1 4.23Å; L971-Y973 HydrophobicContact CG-CE1 4.36Å; L971-Y973 HydrophobicContact CG-CE2 4.18Å; L971-Y973 WeakPolarHBondContact O-CD2 3.25Å; L971-Y973 WeakPolarHBondContact O-CE2 3.29Å
972	H	93.4	Very high	92.1	Very high	15 Å²	15	52.9 Å²	52.9	7%	0.069	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	152.8	177.1	-80.1	-141.5	0	0	0	111.2	C908 E913 A961 Y962 T964	C908-H972 PolarHBondContact O-CE1 3.03Å; E913-H972 VanDerWaalsContact CD-NE2 3.3Å; E913-H972 IonicContact OE1-CD2 2.77Å; E913-H972 IonicContact OE1-CE1 3.31Å; E913-H972 IonicContact OE1-NE2 2.65Å; E913-H972 PolarHBondContact OE1-NE2 3.18Å; E913-H972 IonicContact OE2-CE1 3.8Å; E913-H972 PolarHBondContact OE2-CE1 2.89Å; E913-H972 IonicContact OE2-NE2 3.91Å; E913-H972 PolarHBondContact OE2-NE2 2.81Å; A961-H972 VanDerWaalsContact CA-O 3.28Å; A961-H972 WeakPolarHBondContact CA-O 3.46Å; Y962-H972 HydrophobicContact CD1-CB 4.28Å; Y962-H972 HydrophobicContact CD2-CB 4.24Å; Y962-H972 HydrophobicContact CE1-CB 3.82Å; Y962-H972 HydrophobicContact CE2-CB 3.77Å; Y962-H972 HydrophobicContact CG-CB 4.47Å; Y962-H972 PolarHBondContact N-O 3.04Å; Y962-H972 PolarHBondContact O-N 2.9Å; T964-H972 HydrophobicContact CG2-CB 4.47Å
973	Y	93.5	Very high	92.5	Very high	102 Å²	102	50.2 Å²	50.2	40%	0.4	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	131.1	-169.9	-60.8	-93.1	0	0	0	110.6	A961 L971 V975 T978	A961-Y973 HydrophobicContact CB-CD1 4.37Å; L971-Y973 HydrophobicContact CD2-CE1 4.23Å; L971-Y973 HydrophobicContact CG-CE1 4.36Å; L971-Y973 HydrophobicContact CG-CE2 4.18Å; L971-Y973 WeakPolarHBondContact O-CD2 3.25Å; L971-Y973 WeakPolarHBondContact O-CE2 3.29Å; Y973-V975 PolarHBondContact O-N 2.98Å; Y973-T978 HydrophobicContact CD1-CG2 4.15Å
974	G	93.5	Very high	92.9	Very high	16 Å²	16	51 Å²	51	17%	0.165	27%	0.27	C	S	.	.			trans	-77.4	92.9	178.5	0	0	0	0	0	112.1	L960 C976 S977 T978	L960-G974 PolarHBondContact O-N 3.16Å; G974-C976 PolarHBondContact O-N 2.91Å; G974-S977 PolarHBondContact O-N 2.98Å; G974-S977 PolarHBondContact O-OG 2.96Å; G974-T978 PolarHBondContact O-N 2.68Å; G974-T978 VanDerWaalsContact O-N 3.11Å; G974-T978 PolarHBondContact O-OG1 3.37Å
975	V	95.8	Very high	93.4	Very high	14 Å²	14	55.7 Å²	55.7	9%	0.085	30%	0.301	C	S	.	.	H	α-helix	trans	-17.4	-72	-175	-171.6	0	0	0	0	114.4	P803 P804 T866 Y973 T978 W979	P803-V975 HydrophobicContact CB-CG1 4.11Å; P803-V975 HydrophobicContact CG-CG1 3.94Å; P804-V975 WeakPolarHBondContact O-CG1 3.39Å; T866-V975 HydrophobicContact CG2-CG2 3.84Å; Y973-V975 PolarHBondContact O-N 2.98Å; V975-T978 PolarHBondContact O-OG1 2.72Å; V975-W979 WeakPolarHBondContact O-CB 3.31Å; V975-W979 PolarHBondContact O-N 2.83Å; V975-W979 VanDerWaalsContact O-N 3.07Å
976	C	97.3	Very high	93.8	Very high	2 Å²	2	55.5 Å²	55.5	1%	0.014	31%	0.314	C	S	.	.	H	α-helix	trans	-64.2	-47.2	-175.8	-166.2	0	0	0	0	113.3	P803 R938 Y940 G974 T978 W979 L980	P803-C976 HydrophobicContact CB-CB 3.86Å; P803-C976 HydrophobicContact CG-CB 3.8Å; R938-C976 HydrophobicContact CB-CB 3.81Å; R938-C976 HydrophobicContact CG-CB 3.85Å; Y940-C976 WeakPolarHBondContact OH-CB 3.42Å; Y940-C976 PolarHBondContact OH-SG 3.05Å; Y940-C976 VanDerWaalsContact OH-SG 3.37Å; G974-C976 PolarHBondContact O-N 2.91Å; C976-T978 VanDerWaalsContact C-N 3.32Å; C976-T978 PolarHBondContact O-N 2.85Å; C976-W979 PolarHBondContact O-N 3.07Å; C976-L980 WeakPolarHBondContact O-CB 3.19Å; C976-L980 WeakPolarHBondContact O-CG 3.47Å; C976-L980 PolarHBondContact O-N 3.03Å
977	S	97	Very high	94.6	Very high	8 Å²	8	52.1 Å²	52.1	6%	0.056	30%	0.296	C	S	.	.	H	α-helix	trans	-64.2	-35.8	-175.9	69.3	0	0	0	0	113.1	A958 L960 G974 S981	A958-S977 WeakPolarHBondContact O-CB 3.47Å; L960-S977 PolarHBondContact N-OG 3.02Å; G974-S977 PolarHBondContact O-N 2.98Å; G974-S977 PolarHBondContact O-OG 2.96Å; S977-S981 WeakPolarHBondContact O-CB 3.44Å; S977-S981 PolarHBondContact O-N 3.11Å
978	T	96.4	Very high	95.2	Very high	13 Å²	13	53.4 Å²	53.4	8%	0.08	30%	0.297	C	S	.	.	H	α-helix	trans	-85.4	-20.6	179.3	53.3	0	0	0	0	113.4	V959 L960 Y973 G974 V975 C976 S981 Q982	V959-T978 HydrophobicContact CG1-CG2 3.85Å; L960-T978 WeakPolarHBondContact O-CG2 3.31Å; Y973-T978 HydrophobicContact CD1-CG2 4.15Å; G974-T978 PolarHBondContact O-N 2.68Å; G974-T978 VanDerWaalsContact O-N 3.11Å; G974-T978 PolarHBondContact O-OG1 3.37Å; V975-T978 PolarHBondContact O-OG1 2.72Å; C976-T978 VanDerWaalsContact C-N 3.32Å; C976-T978 PolarHBondContact O-N 2.85Å; T978-S981 PolarHBondContact O-OG 2.62Å; T978-S981 VanDerWaalsContact O-OG 3.14Å; T978-Q982 VanDerWaalsContact O-CD 3.26Å; T978-Q982 WeakPolarHBondContact O-CG 3.32Å; T978-Q982 PolarHBondContact O-NE2 2.66Å; T978-Q982 VanDerWaalsContact O-NE2 3.09Å
979	W	97.6	Very high	95.6	Very high	40 Å²	40	45.8 Å²	45.8	15%	0.152	26%	0.257	C	S	.	.	H	α-helix	trans	-73	-52.2	168	168.1	65.7	0	0	0	110.4	V801 P803 P804 V975 C976 S981 Q982 L983 V989	V801-W979 HydrophobicContact CG1-CH2 4.49Å; V801-W979 HydrophobicContact CG1-CZ3 3.7Å; P803-W979 HydrophobicContact CB-CD2 4.34Å; P803-W979 HydrophobicContact CB-CE3 3.79Å; P803-W979 HydrophobicContact CB-CZ3 4.26Å; P804-W979 HydrophobicContact CG-CD2 4.11Å; P804-W979 HydrophobicContact CG-CG 3.95Å; P804-W979 HydrophobicContact CG-CZ2 4.43Å; V975-W979 WeakPolarHBondContact O-CB 3.31Å; V975-W979 PolarHBondContact O-N 2.83Å; V975-W979 VanDerWaalsContact O-N 3.07Å; C976-W979 PolarHBondContact O-N 3.07Å; W979-S981 PolarHBondContact O-N 2.88Å; W979-Q982 PolarHBondContact O-N 2.77Å; W979-L983 HydrophobicContact CD2-CD1 4.27Å; W979-L983 HydrophobicContact CH2-CD1 4.14Å; W979-L983 HydrophobicContact CZ2-CD1 3.81Å; W979-L983 HydrophobicContact CZ2-CD2 4.3Å; W979-L983 HydrophobicContact CZ3-CD1 4.48Å; W979-V989 HydrophobicContact CH2-CB 4.38Å; W979-V989 HydrophobicContact CH2-CG1 4.13Å; W979-V989 HydrophobicContact CH2-CG2 4.09Å; W979-V989 HydrophobicContact CZ3-CG1 4.43Å
980	L	98	Very high	95.9	Very high	0 Å²	0	46 Å²	46	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-55.9	-35.5	177	-71.7	175	0	0	0	112.4	I779 V781 Y940 V957 C976 Q982 L983	I779-L980 HydrophobicContact CD1-CB 4.31Å; V781-L980 HydrophobicContact CG2-CB 4.31Å; Y940-L980 HydrophobicContact CE2-CD1 3.81Å; V957-L980 HydrophobicContact CG1-CD1 4.47Å; V957-L980 HydrophobicContact CG2-CD1 4.13Å; C976-L980 WeakPolarHBondContact O-CB 3.19Å; C976-L980 WeakPolarHBondContact O-CG 3.47Å; C976-L980 PolarHBondContact O-N 3.03Å; L980-Q982 PolarHBondContact O-N 2.68Å; L980-L983 HydrophobicContact CD2-CD1 4Å
981	S	96.6	Very high	96.3	Very high	42 Å²	42	43.1 Å²	43.1	29%	0.294	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72	0.2	176.8	78	0	0	0	0	115.3	S977 T978 W979	S977-S981 WeakPolarHBondContact O-CB 3.44Å; S977-S981 PolarHBondContact O-N 3.11Å; T978-S981 PolarHBondContact O-OG 2.62Å; T978-S981 VanDerWaalsContact O-OG 3.14Å; W979-S981 PolarHBondContact O-N 2.88Å
982	Q	95.8	Very high	96.4	Very high	128 Å²	128	40 Å²	40	60%	0.598	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-119.9	-5.8	-178.2	-66.7	173.9	25.2	0	0	113.1	T978 W979 L980	T978-Q982 VanDerWaalsContact O-CD 3.26Å; T978-Q982 WeakPolarHBondContact O-CG 3.32Å; T978-Q982 PolarHBondContact O-NE2 2.66Å; T978-Q982 VanDerWaalsContact O-NE2 3.09Å; W979-Q982 PolarHBondContact O-N 2.77Å; L980-Q982 PolarHBondContact O-N 2.68Å
983	L	97.1	Very high	96.5	Very high	24 Å²	24	40.9 Å²	40.9	13%	0.126	23%	0.227	C	C	.	.			trans	-75.9	156.1	-179.3	-62.5	-177.7	0	0	0	112.8	I763 W979 L980 D987 V989	I763-L983 HydrophobicContact CD1-CB 4.04Å; I763-L983 HydrophobicContact CD1-CD1 3.76Å; I763-L983 HydrophobicContact CG1-CB 3.81Å; I763-L983 HydrophobicContact CG1-CD1 3.67Å; I763-L983 HydrophobicContact CG1-CG 4.38Å; W979-L983 HydrophobicContact CD2-CD1 4.27Å; W979-L983 HydrophobicContact CH2-CD1 4.14Å; W979-L983 HydrophobicContact CZ2-CD1 3.81Å; W979-L983 HydrophobicContact CZ2-CD2 4.3Å; W979-L983 HydrophobicContact CZ3-CD1 4.48Å; L980-L983 HydrophobicContact CD2-CD1 4Å; L983-D987 WeakPolarHBondContact CA-OD2 2.97Å; L983-D987 HydrophobicContact CB-CB 4.23Å; L983-D987 HydrophobicContact CD2-CB 3.96Å; L983-D987 HydrophobicContact CG-CB 4.5Å; L983-V989 HydrophobicContact CD1-CG2 3.84Å
984	K	97	Very high	96.3	Very high	147 Å²	147	37.9 Å²	37.9	64%	0.639	22%	0.215	S	C	*	.			trans	-122.2	160.5	-177.4	-62.3	177	-174.7	174.3	0	110.8	I763 G986 D987	I763-K984 WeakPolarHBondContact CB-O 3.43Å; I763-K984 VanDerWaalsContact CG2-O 3.3Å; I763-K984 WeakPolarHBondContact CG2-O 3.49Å; K984-G986 PolarHBondContact O-N 2.68Å; K984-D987 PolarHBondContact N-OD2 3Å; K984-D987 WeakPolarHBondContact O-CB 3.46Å; K984-D987 PolarHBondContact O-N 2.75Å
985	P	97.7	Very high	96.1	Very high	101 Å²	101	39 Å²	39	66%	0.656	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52	128.1	174.4	-26.6	35.6	0	0	0	112.1	I763	I763-P985 CarbonylContact O-C 3.56Å; I763-P985 VanDerWaalsContact O-CA 3.29Å; I763-P985 WeakPolarHBondContact O-CA 3.28Å
986	G	96.1	Very high	95.8	Very high	52 Å²	52	38.7 Å²	38.7	54%	0.536	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	96.1	-15.7	-174.8	0	0	0	0	0	115.7	I763 K984	I763-G986 PolarHBondContact O-N 3.42Å; K984-G986 PolarHBondContact O-N 2.68Å
987	D	97.4	Very high	95.2	Very high	57 Å²	57	43.4 Å²	43.4	31%	0.305	26%	0.257	S	S	.	.			trans	-66.4	135.9	-179.6	-75.9	-27.3	0	0	0	111.8	T762 I763 L983 K984	T762-D987 CarbonylContact C-O 3.57Å; T762-D987 WeakPolarHBondContact CA-O 3.42Å; I763-D987 HydrophobicContact CG1-CB 4.39Å; I763-D987 PolarHBondContact N-O 3.25Å; L983-D987 WeakPolarHBondContact CA-OD2 2.97Å; L983-D987 HydrophobicContact CB-CB 4.23Å; L983-D987 HydrophobicContact CD2-CB 3.96Å; L983-D987 HydrophobicContact CG-CB 4.5Å; K984-D987 PolarHBondContact N-OD2 3Å; K984-D987 WeakPolarHBondContact O-CB 3.46Å; K984-D987 PolarHBondContact O-N 2.75Å
988	P	96.7	Very high	94.6	Very high	63 Å²	63	45.6 Å²	45.6	41%	0.409	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	140.1	-175.9	31.2	-35.1	0	0	0	113.1	Q760	Q760-P988 HydrophobicContact CG-CB 3.81Å
989	V	97.8	Very high	94.4	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	102.8	179.9	179.1	0	0	0	0	110	A761 I763 L783 V801 W979 L983 C991	A761-V989 PolarHBondContact N-O 2.93Å; A761-V989 PolarHBondContact O-N 3.43Å; I763-V989 HydrophobicContact CD1-CG2 4Å; I763-V989 HydrophobicContact CG1-CG2 3.74Å; L783-V989 HydrophobicContact CD1-CG1 4.41Å; L783-V989 HydrophobicContact CD2-CB 4.13Å; L783-V989 HydrophobicContact CD2-CG1 4.32Å; L783-V989 HydrophobicContact CD2-CG2 3.84Å; V801-V989 HydrophobicContact CG1-CG1 3.83Å; W979-V989 HydrophobicContact CH2-CB 4.38Å; W979-V989 HydrophobicContact CH2-CG1 4.13Å; W979-V989 HydrophobicContact CH2-CG2 4.09Å; W979-V989 HydrophobicContact CZ3-CG1 4.43Å; L983-V989 HydrophobicContact CD1-CG2 3.84Å; V989-C991 HydrophobicContact CG1-CB 4.48Å; V989-C991 PolarHBondContact O-N 3.19Å; V989-C991 PolarHBondContact O-SG 3.24Å
990	P	97.3	Very high	94.2	Very high	9 Å²	9	46.5 Å²	46.5	6%	0.058	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	124.1	173.7	-16.7	31.3	0	0	0	110.7	L746 L747 L750 F759 C802	L746-P990 HydrophobicContact CD2-CG 4.37Å; L747-P990 HydrophobicContact CD1-CB 4.33Å; L750-P990 HydrophobicContact CD1-CB 3.6Å; L750-P990 HydrophobicContact CD1-CG 4.01Å; F759-P990 WeakPolarHBondContact O-CA 3.34Å; C802-P990 HydrophobicContact CB-CB 4.26Å; C802-P990 PolarHBondContact N-O 2.84Å
991	C	97.2	Very high	94	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.3	171.6	-169.5	56.8	0	0	0	0	114.1	M758 F759 I799 G800 V801 V989	M758-C991 WeakPolarHBondContact CA-O 3.45Å; F759-C991 PolarHBondContact N-O 3.05Å; F759-C991 PolarHBondContact O-N 3.34Å; I799-C991 HydrophobicContact CD1-CB 3.68Å; I799-C991 HydrophobicContact CG1-CB 3.91Å; G800-C991 CarbonylContact O-C 3.55Å; G800-C991 WeakPolarHBondContact O-CA 3.45Å; G800-C991 WeakPolarHBondContact O-CB 3.15Å; V801-C991 HydrophobicContact CG2-CB 4.42Å; V989-C991 HydrophobicContact CG1-CB 4.48Å; V989-C991 PolarHBondContact O-N 3.19Å; V989-C991 PolarHBondContact O-SG 3.24Å
992	F	95.8	Very high	93.8	Very high	6 Å²	6	46.5 Å²	46.5	3%	0.026	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.7	152.9	173.3	62.4	-86.5	0	0	0	110.6	R756 M758 I799 G800 P937 Y939	R756-F992 VanDerWaalsContact CD-CE2 3.47Å; R756-F992 HydrophobicContact CG-CD2 4.34Å; R756-F992 HydrophobicContact CG-CG 4.42Å; M758-F992 HydrophobicContact CE-CD1 3.9Å; M758-F992 HydrophobicContact CE-CE1 3.91Å; M758-F992 HydrophobicContact CG-CB 4.45Å; M758-F992 HydrophobicContact CG-CD1 4.05Å; I799-F992 CarbonylContact C-O 3.56Å; I799-F992 WeakPolarHBondContact CA-O 3.37Å; I799-F992 WeakPolarHBondContact CG1-O 3.48Å; G800-F992 PolarHBondContact N-O 3.02Å; G800-F992 PolarHBondContact O-N 3.4Å; P937-F992 HydrophobicContact CB-CE1 3.97Å; P937-F992 HydrophobicContact CB-CZ 4.34Å; P937-F992 HydrophobicContact CG-CE1 4Å; P937-F992 HydrophobicContact CG-CZ 4.43Å; Y939-F992 AromaticContact CE1-CE2 3.76Å; Y939-F992 HydrophobicContact CE1-CE2 3.76Å; Y939-F992 AromaticContact CE1-CZ 3.75Å; Y939-F992 HydrophobicContact CE1-CZ 3.75Å
993	I	95.3	Very high	93.4	Very high	34 Å²	34	47 Å²	47	17%	0.174	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	141.5	173.1	-62.2	-60.7	0	0	0	110.7	L791 D797 I799 I953	L791-I993 HydrophobicContact CD2-CG1 4.29Å; D797-I993 HydrophobicContact CB-CG2 4.48Å; I799-I993 HydrophobicContact CB-CD1 4.27Å; I799-I993 HydrophobicContact CG1-CD1 4.28Å; I953-I993 HydrophobicContact CD1-CD1 3.9Å
994	R	89.6	Confident	93.2	Very high	39 Å²	39	49.2 Å²	49.2	15%	0.147	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	117.1	163.9	178.1	-176.5	-174	134.9	10.5	107.6	E527 E581 H798 Y939	E527-R994 IonicContact OE1-CZ 3.99Å; E527-R994 IonicContact OE1-NH1 2.99Å; E527-R994 PolarHBondContact OE1-NH1 3.02Å; E527-R994 IonicContact OE1-NH2 3.4Å; E527-R994 PolarHBondContact OE1-NH2 3.15Å; E527-R994 IonicContact OE2-CZ 2.73Å; E527-R994 IonicContact OE2-NH1 3.27Å; E527-R994 PolarHBondContact OE2-NH1 2.89Å; E527-R994 IonicContact OE2-NH2 3.02Å; E581-R994 IonicContact OE2-NH2 2.86Å; H798-R994 HydrophobicContact CB-CB 4.38Å; H798-R994 PolarHBondContact N-O 2.82Å; H798-R994 PolarHBondContact O-N 2.69Å; Y939-R994 HydrophobicContact CE1-CB 4.14Å
995	G	88.7	Confident	92.9	Very high	41 Å²	41	44.2 Å²	44.2	42%	0.423	28%	0.28	S	S	.	.			trans	-67.6	142.1	176.3	0	0	0	0	0	112	D797 P997	D797-G995 WeakPolarHBondContact OD1-CA 3.32Å; G995-P997 VanDerWaalsContact C-CD 3.49Å; G995-P997 WeakPolarHBondContact O-CD 3.47Å
996	A	88.9	Confident	92.5	Very high	6 Å²	6	42.4 Å²	42.4	5%	0.05	27%	0.27	C	S	.	.			trans	-123.3	67.6	176	0	0	0	0	0	110.1	G796 D797 S998 F999	G796-A996 WeakPolarHBondContact O-CB 3.39Å; D797-A996 PolarHBondContact OD1-N 2.84Å; A996-S998 PolarHBondContact O-N 3.38Å; A996-S998 VanDerWaalsContact O-N 3.11Å; A996-F999 HydrophobicContact CB-CB 4.29Å; A996-F999 PolarHBondContact O-N 3.37Å
997	P	84.6	Confident	92.5	Very high	102 Å²	102	41.8 Å²	41.8	66%	0.662	25%	0.254	S	S	*	.	G	3₁₀ helix	trans	-60.7	-25.7	-173.7	25.9	-35.4	0	0	0	113.5	G995 F999	G995-P997 VanDerWaalsContact C-CD 3.49Å; G995-P997 WeakPolarHBondContact O-CD 3.47Å; P997-F999 VanDerWaalsContact C-N 3.28Å; P997-F999 PolarHBondContact O-N 2.94Å
998	S	84.3	Confident	92.4	Very high	54 Å²	54	40 Å²	40	38%	0.378	25%	0.245	S	C	.	.	G	3₁₀ helix	trans	-77.8	-2.8	173.9	51.4	0	0	0	0	114.7	A996 H1156	A996-S998 PolarHBondContact O-N 3.38Å; A996-S998 VanDerWaalsContact O-N 3.11Å; S998-H1156 PolarHBondContact O-ND1 2.88Å
999	F	93.4	Very high	92.4	Very high	3 Å²	3	37 Å²	37	1%	0.013	23%	0.226	C	C	.	.	G	3₁₀ helix	trans	-131.3	40.8	-179.3	-152.2	-92.1	0	0	0	112.4	G796 A996 P997 P1020 F1021 F1024 F1112 C1114 H1156 D1158	G796-F999 WeakPolarHBondContact CA-O 3.41Å; A996-F999 HydrophobicContact CB-CB 4.29Å; A996-F999 PolarHBondContact O-N 3.37Å; P997-F999 VanDerWaalsContact C-N 3.28Å; P997-F999 PolarHBondContact O-N 2.94Å; F999-P1020 HydrophobicContact CD1-CB 4.2Å; F999-P1020 HydrophobicContact CD1-CG 4.3Å; F999-P1020 HydrophobicContact CE1-CB 3.87Å; F999-P1020 HydrophobicContact CE1-CG 3.57Å; F999-P1020 HydrophobicContact CZ-CG 4.39Å; F999-F1021 AromaticContact CE1-CE1 3.86Å; F999-F1021 HydrophobicContact CE1-CE1 3.86Å; F999-F1021 AromaticContact CZ-CE1 3.73Å; F999-F1021 HydrophobicContact CZ-CE1 3.73Å; F999-F1021 HydrophobicContact CZ-CZ 4.07Å; F999-F1024 HydrophobicContact CD1-CZ 4.11Å; F999-F1024 HydrophobicContact CE1-CZ 4.16Å; F999-F1024 WeakPolarHBondContact O-CZ 3.43Å; F999-F1112 HydrophobicContact CD1-CD1 4.4Å; F999-F1112 HydrophobicContact CD2-CD1 4.2Å; F999-F1112 HydrophobicContact CE1-CD1 4.17Å; F999-F1112 HydrophobicContact CE2-CB 4.09Å; F999-F1112 AromaticContact CE2-CD1 3.99Å; F999-F1112 HydrophobicContact CE2-CD1 3.99Å; F999-F1112 HydrophobicContact CG-CD1 4.4Å; F999-F1112 HydrophobicContact CZ-CB 3.81Å; F999-F1112 AromaticContact CZ-CD1 3.97Å; F999-F1112 HydrophobicContact CZ-CD1 3.97Å; F999-F1112 HydrophobicContact CZ-CG 4.4Å; F999-C1114 HydrophobicContact CE1-CB 4.48Å; F999-C1114 HydrophobicContact CZ-CB 3.9Å; F999-H1156 HydrophobicContact CD2-CB 3.67Å; F999-H1156 HydrophobicContact CE2-CB 3.89Å; F999-D1158 HydrophobicContact CD1-CB 4.08Å; F999-D1158 HydrophobicContact CD2-CB 3.67Å; F999-D1158 HydrophobicContact CE1-CB 4.06Å; F999-D1158 HydrophobicContact CE2-CB 3.62Å; F999-D1158 HydrophobicContact CG-CB 3.92Å; F999-D1158 HydrophobicContact CZ-CB 3.83Å
1000	R	92.9	Very high	92.4	Very high	68 Å²	68	37 Å²	37	26%	0.257	23%	0.226	S	C	.	.	S	Bend	trans	-108.7	156.6	176	-63.3	-176.3	179.6	170.4	0.2	111.4	Q794 D797 F1112	Q794-R1000 VanDerWaalsContact CD-NH1 3.31Å; Q794-R1000 VanDerWaalsContact OE1-CZ 3.31Å; D797-R1000 IonicContact OD1-CZ 2.71Å; D797-R1000 VanDerWaalsContact OD1-CZ 3.29Å; D797-R1000 IonicContact OD1-NE 2.81Å; D797-R1000 PolarHBondContact OD1-NE 2.97Å; D797-R1000 IonicContact OD1-NH2 2.94Å; D797-R1000 PolarHBondContact OD1-NH2 2.92Å; D797-R1000 IonicContact OD2-CZ 3.9Å; D797-R1000 IonicContact OD2-NE 3.75Å; D797-R1000 IonicContact OD2-NH2 3.1Å; D797-R1000 PolarHBondContact OD2-NH2 3.17Å; R1000-F1112 VanDerWaalsContact O-CE1 3.27Å; R1000-F1112 WeakPolarHBondContact O-CE1 3.43Å; R1000-F1112 VanDerWaalsContact O-CZ 3.3Å; R1000-F1112 WeakPolarHBondContact O-CZ 3.48Å
1001	L	93.3	Very high	92.5	Very high	30 Å²	30	36.6 Å²	36.6	16%	0.157	22%	0.223	C	C	.	.			trans	-55.7	147.8	171.4	-78.3	173.2	0	0	0	111.9	F1024 E1027 R1028 M1042	L1001-F1024 HydrophobicContact CD1-CB 4.07Å; L1001-F1024 HydrophobicContact CD1-CD1 4.36Å; L1001-F1024 HydrophobicContact CD1-CG 4.17Å; L1001-F1024 HydrophobicContact CD2-CB 4.06Å; L1001-F1024 HydrophobicContact CD2-CD1 4.44Å; L1001-F1024 HydrophobicContact CD2-CD2 3.55Å; L1001-F1024 HydrophobicContact CD2-CE2 4.03Å; L1001-F1024 HydrophobicContact CD2-CG 3.79Å; L1001-F1024 HydrophobicContact CG-CB 4.11Å; L1001-F1024 HydrophobicContact CG-CD1 3.88Å; L1001-F1024 HydrophobicContact CG-CD2 3.91Å; L1001-F1024 HydrophobicContact CG-CE1 4.24Å; L1001-F1024 HydrophobicContact CG-CE2 4.26Å; L1001-F1024 HydrophobicContact CG-CG 3.71Å; L1001-F1024 HydrophobicContact CG-CZ 4.42Å; L1001-E1027 HydrophobicContact CD1-CB 4.37Å; L1001-R1028 HydrophobicContact CD1-CG 4.02Å; L1001-M1042 HydrophobicContact CD2-SD 4.11Å
1002	P	92.8	Very high	92.6	Very high	12 Å²	12	36.6 Å²	36.6	8%	0.078	22%	0.223	C	C	.	.			trans	-59.6	139.6	173.9	26.4	-35.5	0	0	0	110.4	D1004 L1007	P1002-D1004 PolarHBondContact O-N 2.77Å; P1002-L1007 HydrophobicContact CB-CD1 4.25Å; P1002-L1007 HydrophobicContact CG-CB 4.38Å
1003	P	88.3	Confident	92.6	Very high	138 Å²	138	36.3 Å²	36.3	90%	0.896	22%	0.222	S	C	*	.	S	Bend	trans	-63.2	-21.8	174.2	-24.8	34.8	0	0	0	114.1	P1005	P1003-P1005 WeakPolarHBondContact O-CD 3.42Å
1004	D	91.5	Very high	92.6	Very high	72 Å²	72	35.9 Å²	35.9	39%	0.385	22%	0.221	S	C	.	.	S	Bend	trans	-91.5	111.4	171.3	-177.4	-15.3	0	0	0	109.5	P1002 S1006 L1007	P1002-D1004 PolarHBondContact O-N 2.77Å; D1004-S1006 VanDerWaalsContact CG-OG 3.27Å; D1004-S1006 PolarHBondContact O-N 3.46Å; D1004-S1006 VanDerWaalsContact OD1-CB 3.28Å; D1004-S1006 WeakPolarHBondContact OD1-CB 3.5Å; D1004-S1006 PolarHBondContact OD1-N 3.28Å; D1004-S1006 PolarHBondContact OD1-OG 3.04Å; D1004-S1006 PolarHBondContact OD2-OG 3.3Å; D1004-L1007 HydrophobicContact CB-CD1 4.06Å; D1004-L1007 HydrophobicContact CB-CG 4.05Å; D1004-L1007 PolarHBondContact O-N 2.69Å
1005	P	90.7	Very high	92.9	Very high	42 Å²	42	35.2 Å²	35.2	27%	0.273	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.6	-9.9	-177.9	30.6	-35.5	0	0	0	113.6	P1003 R1028 P1039 T1040	P1003-P1005 WeakPolarHBondContact O-CD 3.42Å; P1005-R1028 PolarHBondContact O-NH1 2.87Å; P1005-P1039 HydrophobicContact CB-CB 4.22Å; P1005-P1039 WeakPolarHBondContact O-CA 3.1Å; P1005-T1040 PolarHBondContact O-N 2.75Å; P1005-T1040 VanDerWaalsContact O-N 3.07Å
1006	S	90.7	Very high	93.2	Very high	63 Å²	63	34.6 Å²	34.6	44%	0.441	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.3	-14.6	177.7	75.3	0	0	0	0	113.7	D1004 T1040	D1004-S1006 VanDerWaalsContact CG-OG 3.27Å; D1004-S1006 PolarHBondContact O-N 3.46Å; D1004-S1006 VanDerWaalsContact OD1-CB 3.28Å; D1004-S1006 WeakPolarHBondContact OD1-CB 3.5Å; D1004-S1006 PolarHBondContact OD1-N 3.28Å; D1004-S1006 PolarHBondContact OD1-OG 3.04Å; D1004-S1006 PolarHBondContact OD2-OG 3.3Å; S1006-T1040 VanDerWaalsContact O-CB 3.24Å; S1006-T1040 WeakPolarHBondContact O-CB 3.37Å; S1006-T1040 PolarHBondContact O-OG1 3.03Å
1007	L	94.4	Very high	93.6	Very high	39 Å²	39	34.3 Å²	34.3	20%	0.204	21%	0.213	C	C	.	.	S	Bend	trans	-75	128.5	178.9	-63.8	179.1	0	0	0	111.5	P1002 D1004	P1002-L1007 HydrophobicContact CB-CD1 4.25Å; P1002-L1007 HydrophobicContact CG-CB 4.38Å; D1004-L1007 HydrophobicContact CB-CD1 4.06Å; D1004-L1007 HydrophobicContact CB-CG 4.05Å; D1004-L1007 PolarHBondContact O-N 2.69Å
1008	P	95.6	Very high	94.2	Very high	18 Å²	18	29.5 Å²	29.5	12%	0.117	18%	0.181	C	C	.	.			trans	-67.3	144.9	179.2	24.6	-29.9	0	0	0	111.6	T1040 V1103 E1107 G1109 H1110	P1008-T1040 HydrophobicContact CB-CG2 3.97Å; P1008-V1103 HydrophobicContact CB-CG1 4.46Å; P1008-V1103 HydrophobicContact CB-CG2 4.11Å; P1008-V1103 HydrophobicContact CG-CG1 4.29Å; P1008-V1103 HydrophobicContact CG-CG2 4.15Å; P1008-E1107 HydrophobicContact CG-CB 3.97Å; P1008-G1109 CarbonylContact O-C 3.47Å; P1008-G1109 VanDerWaalsContact O-CA 3.24Å; P1008-G1109 WeakPolarHBondContact O-CA 3.24Å; P1008-H1110 PolarHBondContact O-N 3.2Å
1009	C	97.8	Very high	94.8	Very high	1 Å²	1	27.1 Å²	27.1	1%	0.007	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	127.8	-177.8	-64.8	0	0	0	0	111.4	L1011 M1042 T1043 H1110 F1112	C1009-L1011 HydrophobicContact CB-CD2 4.31Å; C1009-M1042 HydrophobicContact CB-CB 4.46Å; C1009-M1042 HydrophobicContact CB-CG 3.99Å; C1009-M1042 HydrophobicContact CB-SD 4.09Å; C1009-M1042 WeakPolarHBondContact O-CA 3.42Å; C1009-T1043 PolarHBondContact O-N 2.92Å; C1009-H1110 WeakPolarHBondContact CA-O 3.36Å; C1009-F1112 HydrophobicContact CB-CE2 4.34Å
1010	I	98.4	Very high	95	Very high	1 Å²	1	27 Å²	27	1%	0.005	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	121.8	170.8	-60.9	172.4	0	0	0	108.5	V1012 T1043 V1045 V1100 V1103 H1110 M1111 F1112	I1010-V1012 HydrophobicContact CG2-CG2 3.95Å; I1010-T1043 CarbonylContact C-O 3.58Å; I1010-T1043 WeakPolarHBondContact CA-O 3.42Å; I1010-V1045 HydrophobicContact CG2-CG2 4.43Å; I1010-V1100 HydrophobicContact CD1-CB 4.45Å; I1010-V1100 HydrophobicContact CD1-CG2 3.89Å; I1010-V1103 HydrophobicContact CD1-CB 3.93Å; I1010-V1103 HydrophobicContact CD1-CG1 4.01Å; I1010-V1103 HydrophobicContact CD1-CG2 4.05Å; I1010-V1103 HydrophobicContact CG1-CG1 4.2Å; I1010-V1103 HydrophobicContact CG1-CG2 4.4Å; I1010-H1110 PolarHBondContact N-O 3.37Å; I1010-M1111 HydrophobicContact CB-CG 4.31Å; I1010-M1111 HydrophobicContact CG2-CG 4.42Å; I1010-M1111 CarbonylContact O-C 3.08Å; I1010-M1111 WeakPolarHBondContact O-CA 3.48Å; I1010-F1112 PolarHBondContact O-N 3.2Å
1011	L	98.4	Very high	95.3	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	119.3	-177.1	-50.1	-174.5	0	0	0	109.9	C1009 F1021 F1024 M1042 T1043 L1044 V1045 F1070 F1112	C1009-L1011 HydrophobicContact CB-CD2 4.31Å; L1011-F1021 HydrophobicContact CB-CD1 3.97Å; L1011-F1021 HydrophobicContact CB-CD2 3.95Å; L1011-F1021 HydrophobicContact CB-CE1 4.01Å; L1011-F1021 HydrophobicContact CB-CE2 3.99Å; L1011-F1021 HydrophobicContact CB-CG 3.95Å; L1011-F1021 HydrophobicContact CB-CZ 4.03Å; L1011-F1021 HydrophobicContact CD1-CB 4.01Å; L1011-F1021 HydrophobicContact CD1-CD1 3.91Å; L1011-F1021 HydrophobicContact CD1-CG 3.97Å; L1011-F1021 HydrophobicContact CD2-CD1 4Å; L1011-F1021 HydrophobicContact CD2-CE1 4Å; L1011-F1021 HydrophobicContact CG-CD1 4.18Å; L1011-F1021 HydrophobicContact CG-CE1 4.43Å; L1011-F1021 HydrophobicContact CG-CG 4.44Å; L1011-F1024 HydrophobicContact CD1-CD2 4.22Å; L1011-F1024 HydrophobicContact CD2-CD2 3.89Å; L1011-F1024 HydrophobicContact CD2-CE2 4.16Å; L1011-M1042 HydrophobicContact CD1-CE 4.05Å; L1011-M1042 HydrophobicContact CD1-SD 4.06Å; L1011-T1043 PolarHBondContact N-O 3.25Å; L1011-L1044 HydrophobicContact CB-CD1 3.98Å; L1011-V1045 PolarHBondContact O-N 2.79Å; L1011-F1070 HydrophobicContact CD1-CE1 4.13Å; L1011-F1112 HydrophobicContact CD2-CB 3.95Å; L1011-F1112 HydrophobicContact CD2-CD2 3.54Å; L1011-F1112 HydrophobicContact CD2-CE2 4.32Å; L1011-F1112 HydrophobicContact CD2-CG 3.97Å
1012	V	98.3	Very high	95.5	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	115.2	-174.5	-170.8	0	0	0	0	110.4	I1010 V1045 V1088 L1092 M1111 F1112 V1113 C1114 V1123	I1010-V1012 HydrophobicContact CG2-CG2 3.95Å; V1012-V1045 HydrophobicContact CG1-CB 4.32Å; V1012-V1045 HydrophobicContact CG1-CG1 4.49Å; V1012-V1045 HydrophobicContact CG2-CB 4.16Å; V1012-V1045 HydrophobicContact CG2-CG2 4.31Å; V1012-V1088 HydrophobicContact CG1-CB 3.82Å; V1012-V1088 HydrophobicContact CG1-CG1 4.43Å; V1012-V1088 HydrophobicContact CG1-CG2 3.83Å; V1012-L1092 HydrophobicContact CG1-CD1 4.27Å; V1012-L1092 HydrophobicContact CG2-CD1 4.29Å; V1012-L1092 HydrophobicContact CG2-CD2 4.25Å; V1012-M1111 HydrophobicContact CG2-CE 3.59Å; V1012-F1112 PolarHBondContact N-O 3.43Å; V1012-V1113 HydrophobicContact CB-CG2 4.46Å; V1012-V1113 CarbonylContact O-C 3.38Å; V1012-V1113 WeakPolarHBondContact O-CA 3.23Å; V1012-C1114 PolarHBondContact O-N 3.24Å; V1012-V1123 HydrophobicContact CG1-CG2 4.07Å
1013	G	96.6	Very high	95.7	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	14%	0.142	C	C	.	.			trans	-170.9	99.6	-176.1	0	0	0	0	0	114.6	I1018 V1045 F1046 C1114	G1013-I1018 PolarHBondContact O-N 3.34Å; G1013-V1045 PolarHBondContact N-O 3.42Å; G1013-F1046 VanDerWaalsContact O-CD2 3.27Å; G1013-F1046 WeakPolarHBondContact O-CD2 3.3Å; G1013-C1114 WeakPolarHBondContact CA-O 3.49Å
1014	P	95.9	Very high	96.2	Very high	24 Å²	24	15.7 Å²	15.7	16%	0.156	10%	0.1	C	C	.	.			trans	-80.1	151.5	178	30.9	-31.7	0	0	0	112.9	T1016 G1017 G1047 V1088 M1119	P1014-T1016 PolarHBondContact O-N 3.08Å; P1014-G1017 PolarHBondContact O-N 2.84Å; P1014-G1047 CarbonylContact C-O 3.11Å; P1014-G1047 WeakPolarHBondContact CA-O 3.27Å; P1014-G1047 WeakPolarHBondContact CB-O 3.49Å; P1014-V1088 HydrophobicContact CB-CG1 4.06Å; P1014-V1088 HydrophobicContact CG-CG1 4.19Å; P1014-V1088 HydrophobicContact CG-CG2 4.26Å; P1014-M1119 HydrophobicContact CG-CG 3.64Å; P1014-M1119 HydrophobicContact CG-SD 4.17Å
1015	G	95	Very high	96.4	Very high	25 Å²	25	12.4 Å²	12.4	26%	0.258	8%	0.082	S	C	.	.	G	3₁₀ helix	trans	58.7	-129.4	-178.5	0	0	0	0	0	111.8	G1017 I1018 G1047	G1015-G1017 PolarHBondContact O-N 2.9Å; G1015-G1017 VanDerWaalsContact O-N 3.16Å; G1015-I1018 VanDerWaalsContact O-CG2 3.29Å; G1015-I1018 WeakPolarHBondContact O-CG2 3.15Å; G1015-I1018 PolarHBondContact O-N 3Å; G1015-G1047 PolarHBondContact N-O 2.92Å
1016	T	96	Very high	96.8	Very high	29 Å²	29	10.9 Å²	10.9	18%	0.178	7%	0.071	C	C	.	.	G	3₁₀ helix	trans	-68	-6.9	176	45.5	0	0	0	0	114.1	T778 T956 A958 P1014 I1018 A1019	T778-T1016 HydrophobicContact CG2-CG2 3.85Å; T956-T1016 HydrophobicContact CG2-CG2 4.33Å; T956-T1016 WeakPolarHBondContact O-CG2 3.3Å; A958-T1016 HydrophobicContact CB-CG2 3.74Å; P1014-T1016 PolarHBondContact O-N 3.08Å; T1016-I1018 PolarHBondContact O-N 3.07Å; T1016-I1018 VanDerWaalsContact O-N 3.13Å; T1016-A1019 WeakPolarHBondContact O-CB 3.4Å; T1016-A1019 PolarHBondContact O-N 2.76Å
1017	G	95.6	Very high	97	Very high	0 Å²	0	9.3 Å²	9.3	0%	0	6%	0.057	C	C	.	.	G	3₁₀ helix	trans	-61.8	-12	169	0	0	0	0	0	114	P1014 G1015 A1019 F1021 C1114	P1014-G1017 PolarHBondContact O-N 2.84Å; G1015-G1017 PolarHBondContact O-N 2.9Å; G1015-G1017 VanDerWaalsContact O-N 3.16Å; G1017-A1019 PolarHBondContact O-N 2.91Å; G1017-F1021 WeakPolarHBondContact O-CE2 3.49Å; G1017-C1114 WeakPolarHBondContact CA-O 3.49Å; G1017-C1114 VanDerWaalsContact O-CB 3.3Å; G1017-C1114 WeakPolarHBondContact O-CB 3.36Å; G1017-C1114 PolarHBondContact O-SG 3.46Å; G1017-C1114 VanDerWaalsContact O-SG 3.39Å
1018	I	97.5	Very high	97.1	Very high	1 Å²	1	7.7 Å²	7.7	1%	0.005	5%	0.048	C	C	.	.	G	3₁₀ helix	trans	-73.6	-12.3	170.7	-159	169.1	0	0	0	113.5	G1013 G1015 T1016 F1021 R1022 W1025 F1046 L1056 Y1057 V1061	G1013-I1018 PolarHBondContact O-N 3.34Å; G1015-I1018 VanDerWaalsContact O-CG2 3.29Å; G1015-I1018 WeakPolarHBondContact O-CG2 3.15Å; G1015-I1018 PolarHBondContact O-N 3Å; T1016-I1018 PolarHBondContact O-N 3.07Å; T1016-I1018 VanDerWaalsContact O-N 3.13Å; I1018-F1021 PolarHBondContact O-N 3.39Å; I1018-R1022 PolarHBondContact O-N 3.26Å; I1018-W1025 HydrophobicContact CD1-CH2 3.79Å; I1018-W1025 HydrophobicContact CD1-CZ3 3.86Å; I1018-W1025 HydrophobicContact CG1-CH2 3.88Å; I1018-W1025 HydrophobicContact CG1-CZ3 3.66Å; I1018-F1046 HydrophobicContact CB-CD2 4.01Å; I1018-F1046 HydrophobicContact CB-CE2 3.87Å; I1018-F1046 HydrophobicContact CD1-CD2 3.72Å; I1018-F1046 HydrophobicContact CD1-CE2 3.94Å; I1018-F1046 HydrophobicContact CD1-CG 4.23Å; I1018-F1046 HydrophobicContact CG1-CD2 4.21Å; I1018-F1046 HydrophobicContact CG1-CE2 4.42Å; I1018-F1046 HydrophobicContact CG2-CE2 4.19Å; I1018-L1056 HydrophobicContact CG2-CB 4.36Å; I1018-L1056 HydrophobicContact CG2-CD1 4.15Å; I1018-Y1057 HydrophobicContact CD1-CD2 4.39Å; I1018-Y1057 HydrophobicContact CG2-CD2 3.88Å; I1018-Y1057 HydrophobicContact CG2-CE2 4.05Å; I1018-V1061 HydrophobicContact CD1-CG2 4.42Å
1019	A	97.7	Very high	97	Very high	3 Å²	3	8 Å²	8	3%	0.025	5%	0.048	C	C	.	.	H	α-helix	trans	-52.8	-60.7	-170.6	0	0	0	0	0	114.3	S943 T1016 G1017 F1021 R1022	S943-A1019 WeakPolarHBondContact CA-O 3.25Å; S943-A1019 WeakPolarHBondContact CB-O 3.34Å; T1016-A1019 WeakPolarHBondContact O-CB 3.4Å; T1016-A1019 PolarHBondContact O-N 2.76Å; G1017-A1019 PolarHBondContact O-N 2.91Å; A1019-F1021 PolarHBondContact O-N 3.27Å; A1019-R1022 WeakPolarHBondContact O-CB 3.38Å; A1019-R1022 PolarHBondContact O-N 2.97Å
1020	P	97.4	Very high	96.8	Very high	0 Å²	0	9.7 Å²	9.7	0%	0	6%	0.056	C	C	.	.	H	α-helix	trans	-66.2	-28.7	-178.4	28	-34.6	0	0	0	112.4	F999 R1022 G1023 F1024 C1114	F999-P1020 HydrophobicContact CD1-CB 4.2Å; F999-P1020 HydrophobicContact CD1-CG 4.3Å; F999-P1020 HydrophobicContact CE1-CB 3.87Å; F999-P1020 HydrophobicContact CE1-CG 3.57Å; F999-P1020 HydrophobicContact CZ-CG 4.39Å; P1020-R1022 PolarHBondContact O-N 3.09Å; P1020-G1023 WeakPolarHBondContact O-CA 3.25Å; P1020-G1023 PolarHBondContact O-N 2.86Å; P1020-F1024 WeakPolarHBondContact O-CD1 3.1Å; P1020-F1024 PolarHBondContact O-N 3.25Å; P1020-C1114 VanDerWaalsContact CD-SG 3.59Å; P1020-C1114 HydrophobicContact CG-CB 4.09Å; P1020-C1114 VanDerWaalsContact CG-SG 3.56Å
1021	F	98.3	Very high	96.6	Very high	0 Å²	0	10.4 Å²	10.4	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-66	-26.7	178.5	-54.5	-33.1	0	0	0	112.7	F999 L1011 G1017 I1018 A1019 G1023 F1024 W1025 L1044 F1112 C1114	F999-F1021 AromaticContact CE1-CE1 3.86Å; F999-F1021 HydrophobicContact CE1-CE1 3.86Å; F999-F1021 AromaticContact CZ-CE1 3.73Å; F999-F1021 HydrophobicContact CZ-CE1 3.73Å; F999-F1021 HydrophobicContact CZ-CZ 4.07Å; L1011-F1021 HydrophobicContact CB-CD1 3.97Å; L1011-F1021 HydrophobicContact CB-CD2 3.95Å; L1011-F1021 HydrophobicContact CB-CE1 4.01Å; L1011-F1021 HydrophobicContact CB-CE2 3.99Å; L1011-F1021 HydrophobicContact CB-CG 3.95Å; L1011-F1021 HydrophobicContact CB-CZ 4.03Å; L1011-F1021 HydrophobicContact CD1-CB 4.01Å; L1011-F1021 HydrophobicContact CD1-CD1 3.91Å; L1011-F1021 HydrophobicContact CD1-CG 3.97Å; L1011-F1021 HydrophobicContact CD2-CD1 4Å; L1011-F1021 HydrophobicContact CD2-CE1 4Å; L1011-F1021 HydrophobicContact CG-CD1 4.18Å; L1011-F1021 HydrophobicContact CG-CE1 4.43Å; L1011-F1021 HydrophobicContact CG-CG 4.44Å; G1017-F1021 WeakPolarHBondContact O-CE2 3.49Å; I1018-F1021 PolarHBondContact O-N 3.39Å; A1019-F1021 PolarHBondContact O-N 3.27Å; F1021-G1023 VanDerWaalsContact C-N 3.31Å; F1021-G1023 PolarHBondContact O-N 2.83Å; F1021-F1024 AromaticContact CD1-CD2 3.9Å; F1021-F1024 HydrophobicContact CD1-CD2 3.9Å; F1021-F1024 HydrophobicContact CD1-CE2 4.07Å; F1021-F1024 HydrophobicContact CE1-CE2 4.28Å; F1021-F1024 WeakPolarHBondContact O-CB 3.42Å; F1021-F1024 PolarHBondContact O-N 2.89Å; F1021-F1024 VanDerWaalsContact O-N 3.13Å; F1021-W1025 HydrophobicContact CB-CE3 4.27Å; F1021-W1025 HydrophobicContact CB-CZ3 4.25Å; F1021-W1025 PolarHBondContact O-N 3.31Å; F1021-L1044 HydrophobicContact CD2-CD1 4.26Å; F1021-F1112 HydrophobicContact CE1-CB 3.61Å; F1021-F1112 HydrophobicContact CE1-CG 4.45Å; F1021-F1112 HydrophobicContact CZ-CB 3.96Å; F1021-C1114 HydrophobicContact CE2-CB 4.13Å; F1021-C1114 HydrophobicContact CZ-CB 3.83Å
1022	R	98.2	Very high	96.3	Very high	11 Å²	11	12.4 Å²	12.4	4%	0.042	7%	0.071	C	C	.	.	H	α-helix	trans	-63.8	-36.6	170.2	-172.5	173.6	-176.4	-69.7	-5.9	112.2	S943 H954 I1018 A1019 P1020 W1025 Q1026 Y1057 E1060	S943-R1022 VanDerWaalsContact O-CD 3.29Å; S943-R1022 WeakPolarHBondContact O-CD 3.23Å; S943-R1022 WeakPolarHBondContact O-CG 3.41Å; S943-R1022 PolarHBondContact O-NH1 2.92Å; H954-R1022 PolarHBondContact ND1-NH1 3.43Å; I1018-R1022 PolarHBondContact O-N 3.26Å; A1019-R1022 WeakPolarHBondContact O-CB 3.38Å; A1019-R1022 PolarHBondContact O-N 2.97Å; P1020-R1022 PolarHBondContact O-N 3.09Å; R1022-W1025 HydrophobicContact CB-CD2 4.45Å; R1022-W1025 HydrophobicContact CB-CE3 4.46Å; R1022-W1025 HydrophobicContact CB-CH2 3.76Å; R1022-W1025 HydrophobicContact CB-CZ2 3.75Å; R1022-W1025 HydrophobicContact CB-CZ3 4.13Å; R1022-W1025 HydrophobicContact CG-CH2 4.07Å; R1022-W1025 HydrophobicContact CG-CZ2 3.53Å; R1022-Q1026 VanDerWaalsContact NH1-NE2 3.18Å; R1022-Q1026 WeakPolarHBondContact O-CB 3.46Å; R1022-Q1026 VanDerWaalsContact O-CG 3.26Å; R1022-Q1026 WeakPolarHBondContact O-CG 3.32Å; R1022-Q1026 PolarHBondContact O-N 3.44Å; R1022-Y1057 VanDerWaalsContact CD-CE1 3.47Å; R1022-Y1057 VanDerWaalsContact NE-CE1 3.33Å; R1022-E1060 IonicContact CZ-OE1 2.75Å; R1022-E1060 VanDerWaalsContact CZ-OE1 3.27Å; R1022-E1060 IonicContact CZ-OE2 2.64Å; R1022-E1060 VanDerWaalsContact CZ-OE2 3.28Å; R1022-E1060 IonicContact NE-OE1 3.02Å; R1022-E1060 PolarHBondContact NE-OE1 2.99Å; R1022-E1060 IonicContact NE-OE2 2.69Å; R1022-E1060 PolarHBondContact NE-OE2 2.91Å; R1022-E1060 VanDerWaalsContact NE-OE2 3.07Å; R1022-E1060 IonicContact NH2-OE1 3.83Å; R1022-E1060 PolarHBondContact NH2-OE1 3.1Å; R1022-E1060 IonicContact NH2-OE2 3.14Å; R1022-E1060 PolarHBondContact NH2-OE2 3.33Å
1023	G	97.3	Very high	96	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-64.7	-43.6	168.6	0	0	0	0	0	111.9	S944 P1020 F1021 Q1026 E1027	S944-G1023 WeakPolarHBondContact O-CA 3.31Å; P1020-G1023 WeakPolarHBondContact O-CA 3.25Å; P1020-G1023 PolarHBondContact O-N 2.86Å; F1021-G1023 VanDerWaalsContact C-N 3.31Å; F1021-G1023 PolarHBondContact O-N 2.83Å; G1023-Q1026 PolarHBondContact O-N 2.97Å; G1023-E1027 PolarHBondContact O-N 2.73Å
1024	F	98	Very high	95.8	Very high	0 Å²	0	21 Å²	21	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-62.1	-47.5	179.7	-70.1	9.6	0	0	0	112.8	P795 F999 L1001 L1011 P1020 F1021 Q1026 E1027 R1028 F1112	P795-F1024 HydrophobicContact CB-CD1 3.98Å; P795-F1024 HydrophobicContact CB-CE1 4.42Å; F999-F1024 HydrophobicContact CD1-CZ 4.11Å; F999-F1024 HydrophobicContact CE1-CZ 4.16Å; F999-F1024 WeakPolarHBondContact O-CZ 3.43Å; L1001-F1024 HydrophobicContact CD1-CB 4.07Å; L1001-F1024 HydrophobicContact CD1-CD1 4.36Å; L1001-F1024 HydrophobicContact CD1-CG 4.17Å; L1001-F1024 HydrophobicContact CD2-CB 4.06Å; L1001-F1024 HydrophobicContact CD2-CD1 4.44Å; L1001-F1024 HydrophobicContact CD2-CD2 3.55Å; L1001-F1024 HydrophobicContact CD2-CE2 4.03Å; L1001-F1024 HydrophobicContact CD2-CG 3.79Å; L1001-F1024 HydrophobicContact CG-CB 4.11Å; L1001-F1024 HydrophobicContact CG-CD1 3.88Å; L1001-F1024 HydrophobicContact CG-CD2 3.91Å; L1001-F1024 HydrophobicContact CG-CE1 4.24Å; L1001-F1024 HydrophobicContact CG-CE2 4.26Å; L1001-F1024 HydrophobicContact CG-CG 3.71Å; L1001-F1024 HydrophobicContact CG-CZ 4.42Å; L1011-F1024 HydrophobicContact CD1-CD2 4.22Å; L1011-F1024 HydrophobicContact CD2-CD2 3.89Å; L1011-F1024 HydrophobicContact CD2-CE2 4.16Å; P1020-F1024 WeakPolarHBondContact O-CD1 3.1Å; P1020-F1024 PolarHBondContact O-N 3.25Å; F1021-F1024 AromaticContact CD1-CD2 3.9Å; F1021-F1024 HydrophobicContact CD1-CD2 3.9Å; F1021-F1024 HydrophobicContact CD1-CE2 4.07Å; F1021-F1024 HydrophobicContact CE1-CE2 4.28Å; F1021-F1024 WeakPolarHBondContact O-CB 3.42Å; F1021-F1024 PolarHBondContact O-N 2.89Å; F1021-F1024 VanDerWaalsContact O-N 3.13Å; F1024-Q1026 VanDerWaalsContact C-N 3.31Å; F1024-Q1026 PolarHBondContact O-N 3.41Å; F1024-E1027 PolarHBondContact O-N 2.9Å; F1024-R1028 WeakPolarHBondContact O-CG 3.25Å; F1024-R1028 PolarHBondContact O-N 2.91Å; F1024-F1112 AromaticContact CE2-CD1 3.6Å; F1024-F1112 HydrophobicContact CE2-CD1 3.6Å; F1024-F1112 HydrophobicContact CE2-CD2 4.21Å; F1024-F1112 AromaticContact CE2-CE1 3.63Å; F1024-F1112 HydrophobicContact CE2-CE1 3.63Å; F1024-F1112 HydrophobicContact CE2-CE2 4.23Å; F1024-F1112 AromaticContact CE2-CG 3.91Å; F1024-F1112 HydrophobicContact CE2-CG 3.91Å; F1024-F1112 AromaticContact CE2-CZ 3.96Å; F1024-F1112 HydrophobicContact CE2-CZ 3.96Å; F1024-F1112 AromaticContact CZ-CD1 3.89Å; F1024-F1112 HydrophobicContact CZ-CD1 3.89Å; F1024-F1112 AromaticContact CZ-CE1 3.75Å; F1024-F1112 HydrophobicContact CZ-CE1 3.75Å; F1024-F1112 HydrophobicContact CZ-CZ 4.37Å
1025	W	97.5	Very high	95.4	Very high	4 Å²	4	24.6 Å²	24.6	2%	0.015	13%	0.132	C	C	.	.	H	α-helix	trans	-71.9	-26.8	-178.8	77.7	64.5	0	0	0	112.6	I1018 F1021 R1022 L1029 M1042 Y1057 E1060 V1061 A1064 V1069 F1070	I1018-W1025 HydrophobicContact CD1-CH2 3.79Å; I1018-W1025 HydrophobicContact CD1-CZ3 3.86Å; I1018-W1025 HydrophobicContact CG1-CH2 3.88Å; I1018-W1025 HydrophobicContact CG1-CZ3 3.66Å; F1021-W1025 HydrophobicContact CB-CE3 4.27Å; F1021-W1025 HydrophobicContact CB-CZ3 4.25Å; F1021-W1025 PolarHBondContact O-N 3.31Å; R1022-W1025 HydrophobicContact CB-CD2 4.45Å; R1022-W1025 HydrophobicContact CB-CE3 4.46Å; R1022-W1025 HydrophobicContact CB-CH2 3.76Å; R1022-W1025 HydrophobicContact CB-CZ2 3.75Å; R1022-W1025 HydrophobicContact CB-CZ3 4.13Å; R1022-W1025 HydrophobicContact CG-CH2 4.07Å; R1022-W1025 HydrophobicContact CG-CZ2 3.53Å; W1025-L1029 VanDerWaalsContact O-CB 3.23Å; W1025-L1029 WeakPolarHBondContact O-CB 3.45Å; W1025-L1029 PolarHBondContact O-N 2.85Å; W1025-M1042 HydrophobicContact CB-CE 4.4Å; W1025-Y1057 HydrophobicContact CH2-CD2 4.12Å; W1025-Y1057 HydrophobicContact CH2-CG 4.21Å; W1025-Y1057 HydrophobicContact CZ2-CG 4.25Å; W1025-E1060 HydrophobicContact CZ2-CB 4.18Å; W1025-V1061 HydrophobicContact CE3-CG2 4.42Å; W1025-V1061 HydrophobicContact CH2-CG2 3.57Å; W1025-V1061 HydrophobicContact CZ2-CG2 3.85Å; W1025-V1061 HydrophobicContact CZ3-CG2 3.89Å; W1025-A1064 HydrophobicContact CG-CB 4.43Å; W1025-V1069 HydrophobicContact CB-CG1 3.84Å; W1025-F1070 HydrophobicContact CB-CE2 3.77Å; W1025-F1070 HydrophobicContact CB-CZ 3.67Å; W1025-F1070 HydrophobicContact CD2-CE2 4.14Å; W1025-F1070 HydrophobicContact CD2-CZ 4.18Å; W1025-F1070 HydrophobicContact CE3-CE2 4.08Å; W1025-F1070 AromaticContact CE3-CZ 3.78Å; W1025-F1070 HydrophobicContact CE3-CZ 3.78Å; W1025-F1070 HydrophobicContact CG-CE2 4.08Å; W1025-F1070 HydrophobicContact CG-CZ 4.22Å
1026	Q	97.6	Very high	95.1	Very high	9 Å²	9	26 Å²	26	4%	0.042	15%	0.147	C	C	.	.	H	α-helix	trans	-69	-45	170.8	-75.4	-170.9	-17.2	0	0	112.1	A945 T948 H949 R1022 G1023 F1024 L1029 H1030	A945-Q1026 HydrophobicContact CB-CB 3.63Å; A945-Q1026 VanDerWaalsContact N-OE1 3.17Å; T948-Q1026 PolarHBondContact OG1-O 2.8Å; H949-Q1026 PolarHBondContact CD2-OE1 3.09Å; H949-Q1026 PolarHBondContact NE2-NE2 3.03Å; H949-Q1026 PolarHBondContact NE2-OE1 3.04Å; R1022-Q1026 VanDerWaalsContact NH1-NE2 3.18Å; R1022-Q1026 WeakPolarHBondContact O-CB 3.46Å; R1022-Q1026 VanDerWaalsContact O-CG 3.26Å; R1022-Q1026 WeakPolarHBondContact O-CG 3.32Å; R1022-Q1026 PolarHBondContact O-N 3.44Å; G1023-Q1026 PolarHBondContact O-N 2.97Å; F1024-Q1026 VanDerWaalsContact C-N 3.31Å; F1024-Q1026 PolarHBondContact O-N 3.41Å; Q1026-L1029 PolarHBondContact O-N 3.24Å; Q1026-H1030 PolarHBondContact O-N 2.92Å
1027	E	95.9	Very high	94.8	Very high	31 Å²	31	27.9 Å²	27.9	15%	0.145	16%	0.155	C	C	.	.	H	α-helix	trans	-62.8	-45.2	176.4	-170.5	64.6	-142.2	0	0	111.4	P795 A945 S947 L1001 G1023 F1024 L1029 H1030 D1031 K1035	P795-E1027 HydrophobicContact CG-CB 4.06Å; P795-E1027 HydrophobicContact CG-CG 4.35Å; A945-E1027 HydrophobicContact CB-CB 4.06Å; S947-E1027 VanDerWaalsContact CB-OE2 3.24Å; S947-E1027 WeakPolarHBondContact CB-OE2 3.39Å; S947-E1027 VanDerWaalsContact OG-CD 3.28Å; S947-E1027 PolarHBondContact OG-OE2 3.35Å; L1001-E1027 HydrophobicContact CD1-CB 4.37Å; G1023-E1027 PolarHBondContact O-N 2.73Å; F1024-E1027 PolarHBondContact O-N 2.9Å; E1027-L1029 VanDerWaalsContact C-N 3.29Å; E1027-L1029 PolarHBondContact O-N 3.26Å; E1027-H1030 CarbonylContact O-C 3.46Å; E1027-H1030 PolarHBondContact O-N 3.3Å; E1027-H1030 IonicContact OE1-CD2 3.09Å; E1027-D1031 PolarHBondContact O-N 2.89Å; E1027-K1035 IonicContact OE1-NZ 3.33Å; E1027-K1035 PolarHBondContact OE1-NZ 2.62Å
1028	R	95.3	Very high	94.4	Very high	5 Å²	5	35.8 Å²	35.8	2%	0.019	19%	0.192	C	C	.	.	H	α-helix	trans	-64.4	-30.2	176.2	-66.4	-64.3	-158.8	142.6	9.5	113.2	L1001 P1005 F1024 I1032 M1042 V1069	L1001-R1028 HydrophobicContact CD1-CG 4.02Å; P1005-R1028 PolarHBondContact O-NH1 2.87Å; F1024-R1028 WeakPolarHBondContact O-CG 3.25Å; F1024-R1028 PolarHBondContact O-N 2.91Å; R1028-I1032 WeakPolarHBondContact O-CD1 3.38Å; R1028-I1032 WeakPolarHBondContact O-CG1 3.38Å; R1028-I1032 PolarHBondContact O-N 2.99Å; R1028-M1042 HydrophobicContact CB-CE 4.35Å; R1028-M1042 HydrophobicContact CG-CE 3.82Å; R1028-M1042 HydrophobicContact CG-SD 4.09Å; R1028-V1069 HydrophobicContact CB-CG1 3.75Å; R1028-V1069 HydrophobicContact CB-CG2 4.49Å
1029	L	94.8	Very high	94.1	Very high	23 Å²	23	36.4 Å²	36.4	12%	0.12	20%	0.197	C	C	.	.	H	α-helix	trans	-70.5	-42.6	173.4	-170.4	66	0	0	0	110.9	W1025 Q1026 E1027 I1032 E1033 R1067 V1069	W1025-L1029 VanDerWaalsContact O-CB 3.23Å; W1025-L1029 WeakPolarHBondContact O-CB 3.45Å; W1025-L1029 PolarHBondContact O-N 2.85Å; Q1026-L1029 PolarHBondContact O-N 3.24Å; E1027-L1029 VanDerWaalsContact C-N 3.29Å; E1027-L1029 PolarHBondContact O-N 3.26Å; L1029-I1032 PolarHBondContact O-N 3.37Å; L1029-E1033 WeakPolarHBondContact O-CB 3.42Å; L1029-E1033 WeakPolarHBondContact O-CG 3.09Å; L1029-E1033 PolarHBondContact O-N 2.85Å; L1029-R1067 HydrophobicContact CD1-CB 3.98Å; L1029-V1069 HydrophobicContact CB-CG2 4.02Å; L1029-V1069 HydrophobicContact CD1-CG2 3.81Å
1030	H	94.1	Very high	93.9	Very high	38 Å²	38	38.7 Å²	38.7	18%	0.176	21%	0.21	C	C	.	.	H	α-helix	trans	-65.4	-35.5	174.2	173.7	86.1	0	0	0	112.6	S947 Q1026 E1027 I1032 E1033 S1034 K1035	S947-H1030 VanDerWaalsContact CB-CD2 3.47Å; S947-H1030 WeakPolarHBondContact CB-CD2 3.34Å; Q1026-H1030 PolarHBondContact O-N 2.92Å; E1027-H1030 CarbonylContact O-C 3.46Å; E1027-H1030 PolarHBondContact O-N 3.3Å; E1027-H1030 IonicContact OE1-CD2 3.09Å; H1030-I1032 VanDerWaalsContact C-N 3.32Å; H1030-I1032 PolarHBondContact O-N 2.78Å; H1030-E1033 PolarHBondContact O-N 3.22Å; H1030-S1034 VanDerWaalsContact CE1-CB 3.4Å; H1030-S1034 WeakPolarHBondContact CE1-CB 3.41Å; H1030-S1034 PolarHBondContact CE1-OG 3.1Å; H1030-S1034 PolarHBondContact ND1-OG 3.36Å; H1030-S1034 WeakPolarHBondContact O-CB 3.37Å; H1030-S1034 PolarHBondContact O-N 3.13Å; H1030-K1035 WeakPolarHBondContact CD2-CE 3.5Å; H1030-K1035 WeakPolarHBondContact NE2-CE 3.3Å; H1030-K1035 PolarHBondContact O-N 3.05Å
1031	D	93.1	Very high	93.8	Very high	16 Å²	16	41.7 Å²	41.7	9%	0.086	23%	0.23	C	C	.	.	H	α-helix	trans	-55.7	-45.3	170.8	-73.5	-28.8	0	0	0	111.8	E1027 K1035 G1036 L1037	E1027-D1031 PolarHBondContact O-N 2.89Å; D1031-K1035 CarbonylContact O-C 3.59Å; D1031-K1035 WeakPolarHBondContact O-CB 3.27Å; D1031-K1035 PolarHBondContact O-N 3.22Å; D1031-K1035 WeakPolarHBondContact OD1-CD 3.45Å; D1031-K1035 WeakPolarHBondContact OD1-CE 3.27Å; D1031-K1035 IonicContact OD1-NZ 2.81Å; D1031-K1035 PolarHBondContact OD1-NZ 2.84Å; D1031-G1036 PolarHBondContact O-N 2.91Å; D1031-G1036 VanDerWaalsContact O-N 3.1Å; D1031-L1037 HydrophobicContact CB-CB 4.29Å; D1031-L1037 HydrophobicContact CB-CD1 4.11Å; D1031-L1037 PolarHBondContact O-N 2.59Å
1032	I	93.2	Very high	93.8	Very high	42 Å²	42	41.8 Å²	41.8	22%	0.215	23%	0.23	C	C	.	.	H	α-helix	trans	-69.7	-49.9	178.6	-66	165.3	0	0	0	110.8	R1028 L1029 H1030 P1039 V1069	R1028-I1032 WeakPolarHBondContact O-CD1 3.38Å; R1028-I1032 WeakPolarHBondContact O-CG1 3.38Å; R1028-I1032 PolarHBondContact O-N 2.99Å; L1029-I1032 PolarHBondContact O-N 3.37Å; H1030-I1032 VanDerWaalsContact C-N 3.32Å; H1030-I1032 PolarHBondContact O-N 2.78Å; I1032-P1039 HydrophobicContact CD1-CG 3.86Å; I1032-P1039 HydrophobicContact CG1-CG 3.65Å; I1032-V1069 HydrophobicContact CD1-CG2 3.81Å
1033	E	92.1	Very high	93.8	Very high	103 Å²	103	41.7 Å²	41.7	48%	0.481	23%	0.231	S	C	.	.	H	α-helix	trans	-69.4	-50.6	-174.7	-73.9	179.4	-178.2	0	0	113.9	L1029 H1030 R1067	L1029-E1033 WeakPolarHBondContact O-CB 3.42Å; L1029-E1033 WeakPolarHBondContact O-CG 3.09Å; L1029-E1033 PolarHBondContact O-N 2.85Å; H1030-E1033 PolarHBondContact O-N 3.22Å; E1033-R1067 VanDerWaalsContact CG-NH2 3.33Å; E1033-R1067 IonicContact OE1-CZ 3.6Å; E1033-R1067 IonicContact OE1-NH1 3.26Å; E1033-R1067 PolarHBondContact OE1-NH1 2.69Å; E1033-R1067 IonicContact OE1-NH2 2.98Å; E1033-R1067 PolarHBondContact OE1-NH2 3.27Å
1034	S	90.9	Very high	93.8	Very high	78 Å²	78	41.8 Å²	41.8	55%	0.545	23%	0.231	S	C	.	.	H	α-helix	trans	-106.4	-29.2	-162.8	-61.2	0	0	0	0	112.9	H1030	H1030-S1034 VanDerWaalsContact CE1-CB 3.4Å; H1030-S1034 WeakPolarHBondContact CE1-CB 3.41Å; H1030-S1034 PolarHBondContact CE1-OG 3.1Å; H1030-S1034 PolarHBondContact ND1-OG 3.36Å; H1030-S1034 WeakPolarHBondContact O-CB 3.37Å; H1030-S1034 PolarHBondContact O-N 3.13Å
1035	K	88.7	Confident	93.8	Very high	98 Å²	98	41.8 Å²	41.8	43%	0.426	23%	0.231	S	C	.	.	S	Bend	trans	-99.9	-9.1	177.7	-50.2	177.5	-163.1	150.9	0	112.4	E1027 H1030 D1031 L1037	E1027-K1035 IonicContact OE1-NZ 3.33Å; E1027-K1035 PolarHBondContact OE1-NZ 2.62Å; H1030-K1035 WeakPolarHBondContact CD2-CE 3.5Å; H1030-K1035 WeakPolarHBondContact NE2-CE 3.3Å; H1030-K1035 PolarHBondContact O-N 3.05Å; D1031-K1035 CarbonylContact O-C 3.59Å; D1031-K1035 WeakPolarHBondContact O-CB 3.27Å; D1031-K1035 PolarHBondContact O-N 3.22Å; D1031-K1035 WeakPolarHBondContact OD1-CD 3.45Å; D1031-K1035 WeakPolarHBondContact OD1-CE 3.27Å; D1031-K1035 IonicContact OD1-NZ 2.81Å; D1031-K1035 PolarHBondContact OD1-NZ 2.84Å; K1035-L1037 HydrophobicContact CB-CD1 4.01Å; K1035-L1037 HydrophobicContact CB-CG 3.89Å; K1035-L1037 HydrophobicContact CD-CD1 4.22Å; K1035-L1037 PolarHBondContact O-N 3.02Å
1036	G	87.3	Confident	93.9	Very high	54 Å²	54	41.7 Å²	41.7	56%	0.557	23%	0.231	S	C	*	.			trans	66.9	15.5	-179.9	0	0	0	0	0	114.4	D1031	D1031-G1036 PolarHBondContact O-N 2.91Å; D1031-G1036 VanDerWaalsContact O-N 3.1Å
1037	L	89.6	Confident	93.8	Very high	69 Å²	69	41.4 Å²	41.4	36%	0.361	23%	0.231	S	C	.	.			trans	-73.3	153.9	-176.6	-62.8	174.6	0	0	0	110.8	D1031 K1035 P1039	D1031-L1037 HydrophobicContact CB-CB 4.29Å; D1031-L1037 HydrophobicContact CB-CD1 4.11Å; D1031-L1037 PolarHBondContact O-N 2.59Å; K1035-L1037 HydrophobicContact CB-CD1 4.01Å; K1035-L1037 HydrophobicContact CB-CG 3.89Å; K1035-L1037 HydrophobicContact CD-CD1 4.22Å; K1035-L1037 PolarHBondContact O-N 3.02Å; L1037-P1039 VanDerWaalsContact C-CD 3.41Å; L1037-P1039 WeakPolarHBondContact O-CD 3.5Å
1038	Q	88.3	Confident	93.7	Very high	166 Å²	166	40.3 Å²	40.3	78%	0.776	23%	0.227	S	C	*	.			trans	-113.1	78.1	171.9	-64.2	-60.9	-69.5	0	0	108.7
1039	P	89.9	Confident	93.5	Very high	15 Å²	15	43.6 Å²	43.6	10%	0.097	24%	0.239	C	C	.	.	P	Polyproline II helix	trans	-66.1	151.5	177.4	29.4	-35.3	0	0	0	111.4	P1005 I1032 L1037 P1041	P1005-P1039 HydrophobicContact CB-CB 4.22Å; P1005-P1039 WeakPolarHBondContact O-CA 3.1Å; I1032-P1039 HydrophobicContact CD1-CG 3.86Å; I1032-P1039 HydrophobicContact CG1-CG 3.65Å; L1037-P1039 VanDerWaalsContact C-CD 3.41Å; L1037-P1039 WeakPolarHBondContact O-CD 3.5Å; P1039-P1041 WeakPolarHBondContact O-CD 3.48Å
1040	T	94.3	Very high	93.4	Very high	50 Å²	50	43.3 Å²	43.3	31%	0.307	24%	0.238	S	C	.	.	P	Polyproline II helix	trans	-66.6	126.1	169.7	-67.4	0	0	0	0	109.4	P1005 S1006 P1008	P1005-T1040 PolarHBondContact O-N 2.75Å; P1005-T1040 VanDerWaalsContact O-N 3.07Å; S1006-T1040 VanDerWaalsContact O-CB 3.24Å; S1006-T1040 WeakPolarHBondContact O-CB 3.37Å; S1006-T1040 PolarHBondContact O-OG1 3.03Å; P1008-T1040 HydrophobicContact CB-CG2 3.97Å
1041	P	95.6	Very high	93.3	Very high	64 Å²	64	42.9 Å²	42.9	42%	0.416	24%	0.24	S	C	.	.	P	Polyproline II helix	trans	-59.5	138.9	-178.7	-24.8	34	0	0	0	112.3	P1039 G1068	P1039-P1041 WeakPolarHBondContact O-CD 3.48Å; P1041-G1068 WeakPolarHBondContact CB-O 3.32Å; P1041-G1068 WeakPolarHBondContact CG-O 3.35Å
1042	M	97.7	Very high	93.2	Very high	1 Å²	1	49.6 Å²	49.6	1%	0.005	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	161.2	-178.5	-56	-171.8	-66.5	0	0	111.8	L1001 C1009 L1011 W1025 R1028 V1069 F1070 G1071	L1001-M1042 HydrophobicContact CD2-SD 4.11Å; C1009-M1042 HydrophobicContact CB-CB 4.46Å; C1009-M1042 HydrophobicContact CB-CG 3.99Å; C1009-M1042 HydrophobicContact CB-SD 4.09Å; C1009-M1042 WeakPolarHBondContact O-CA 3.42Å; L1011-M1042 HydrophobicContact CD1-CE 4.05Å; L1011-M1042 HydrophobicContact CD1-SD 4.06Å; W1025-M1042 HydrophobicContact CB-CE 4.4Å; R1028-M1042 HydrophobicContact CB-CE 4.35Å; R1028-M1042 HydrophobicContact CG-CE 3.82Å; R1028-M1042 HydrophobicContact CG-SD 4.09Å; M1042-V1069 HydrophobicContact CE-CG1 3.78Å; M1042-V1069 PolarHBondContact N-O 3.47Å; M1042-F1070 HydrophobicContact CB-CD1 3.88Å; M1042-F1070 HydrophobicContact CB-CE1 4.03Å; M1042-F1070 HydrophobicContact CE-CE1 3.91Å; M1042-F1070 HydrophobicContact CE-CZ 4.32Å; M1042-F1070 CarbonylContact O-C 3.52Å; M1042-F1070 VanDerWaalsContact O-CA 3.28Å; M1042-F1070 WeakPolarHBondContact O-CA 3.49Å; M1042-G1071 PolarHBondContact O-N 2.93Å
1043	T	98.3	Very high	93	Very high	10 Å²	10	50.2 Å²	50.2	6%	0.061	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	122.1	170.7	-72.9	0	0	0	0	109.6	C1009 I1010 L1011 V1045 R1072 L1096 E1099	C1009-T1043 PolarHBondContact O-N 2.92Å; I1010-T1043 CarbonylContact C-O 3.58Å; I1010-T1043 WeakPolarHBondContact CA-O 3.42Å; L1011-T1043 PolarHBondContact N-O 3.25Å; T1043-V1045 HydrophobicContact CG2-CG2 4.41Å; T1043-R1072 WeakPolarHBondContact CA-O 3.34Å; T1043-R1072 HydrophobicContact CG2-CB 4.07Å; T1043-L1096 HydrophobicContact CG2-CD1 4.12Å; T1043-L1096 HydrophobicContact CG2-CD2 3.96Å; T1043-E1099 WeakPolarHBondContact CB-OE1 3.3Å; T1043-E1099 PolarHBondContact OG1-OE1 3.26Å
1044	L	98.4	Very high	93	Very high	1 Å²	1	45.9 Å²	45.9	1%	0.005	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	126.7	178.3	179.3	61.7	0	0	0	111.4	L1011 F1021 F1046 V1061 F1070 R1072 V1073 L1074	L1011-L1044 HydrophobicContact CB-CD1 3.98Å; F1021-L1044 HydrophobicContact CD2-CD1 4.26Å; L1044-F1046 HydrophobicContact CG-CB 4.46Å; L1044-V1061 HydrophobicContact CD2-CG1 3.77Å; L1044-V1061 HydrophobicContact CD2-CG2 4.13Å; L1044-F1070 HydrophobicContact CB-CD1 3.94Å; L1044-F1070 HydrophobicContact CB-CE1 3.75Å; L1044-F1070 HydrophobicContact CB-CZ 4.27Å; L1044-F1070 HydrophobicContact CD2-CE1 4.37Å; L1044-F1070 HydrophobicContact CD2-CE2 4.36Å; L1044-F1070 HydrophobicContact CD2-CZ 4.04Å; L1044-R1072 PolarHBondContact N-O 2.96Å; L1044-V1073 HydrophobicContact CB-CG2 4.43Å; L1044-V1073 HydrophobicContact CD2-CG1 4.34Å; L1044-L1074 PolarHBondContact O-N 2.78Å
1045	V	98.2	Very high	93.1	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	87.7	174	-169	0	0	0	0	108.6	I1010 L1011 V1012 G1013 T1043 V1088 I1091 L1092 L1096	I1010-V1045 HydrophobicContact CG2-CG2 4.43Å; L1011-V1045 PolarHBondContact O-N 2.79Å; V1012-V1045 HydrophobicContact CG1-CB 4.32Å; V1012-V1045 HydrophobicContact CG1-CG1 4.49Å; V1012-V1045 HydrophobicContact CG2-CB 4.16Å; V1012-V1045 HydrophobicContact CG2-CG2 4.31Å; G1013-V1045 PolarHBondContact N-O 3.42Å; T1043-V1045 HydrophobicContact CG2-CG2 4.41Å; V1045-V1088 HydrophobicContact CG1-CB 3.93Å; V1045-V1088 HydrophobicContact CG1-CG1 4.11Å; V1045-I1091 HydrophobicContact CG1-CB 4.07Å; V1045-I1091 HydrophobicContact CG1-CG2 3.98Å; V1045-L1092 HydrophobicContact CG2-CD2 4.26Å; V1045-L1096 HydrophobicContact CG2-CD1 3.38Å
1046	F	97.9	Very high	93.5	Very high	2 Å²	2	39.6 Å²	39.6	1%	0.009	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88	168.1	177.5	-175.9	-119	0	0	0	111.4	G1013 I1018 L1044 C1048 H1055 L1056 L1074 T1075 A1076 V1088	G1013-F1046 VanDerWaalsContact O-CD2 3.27Å; G1013-F1046 WeakPolarHBondContact O-CD2 3.3Å; I1018-F1046 HydrophobicContact CB-CD2 4.01Å; I1018-F1046 HydrophobicContact CB-CE2 3.87Å; I1018-F1046 HydrophobicContact CD1-CD2 3.72Å; I1018-F1046 HydrophobicContact CD1-CE2 3.94Å; I1018-F1046 HydrophobicContact CD1-CG 4.23Å; I1018-F1046 HydrophobicContact CG1-CD2 4.21Å; I1018-F1046 HydrophobicContact CG1-CE2 4.42Å; I1018-F1046 HydrophobicContact CG2-CE2 4.19Å; L1044-F1046 HydrophobicContact CG-CB 4.46Å; F1046-C1048 HydrophobicContact CE1-CB 3.86Å; F1046-C1048 HydrophobicContact CZ-CB 4.09Å; F1046-H1055 AromaticContact CD1-CD2 3.87Å; F1046-H1055 AromaticContact CD1-NE2 4Å; F1046-H1055 AromaticContact CE1-CD2 3.78Å; F1046-L1056 HydrophobicContact CZ-CB 4.24Å; F1046-L1056 HydrophobicContact CZ-CG 4.36Å; F1046-L1074 PolarHBondContact N-O 2.94Å; F1046-T1075 HydrophobicContact CD1-CG2 3.69Å; F1046-T1075 HydrophobicContact CE1-CG2 4.39Å; F1046-T1075 WeakPolarHBondContact O-CA 3.36Å; F1046-A1076 PolarHBondContact O-N 2.8Å; F1046-V1088 WeakPolarHBondContact O-CG1 3.45Å
1047	G	95.8	Very high	93.9	Very high	4 Å²	4	37.7 Å²	37.7	4%	0.041	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.2	141.7	170.1	0	0	0	0	0	113.3	P1014 G1015 A1076	P1014-G1047 CarbonylContact C-O 3.11Å; P1014-G1047 WeakPolarHBondContact CA-O 3.27Å; P1014-G1047 WeakPolarHBondContact CB-O 3.49Å; G1015-G1047 PolarHBondContact N-O 2.92Å; G1047-A1076 CarbonylContact C-O 3.49Å; G1047-A1076 WeakPolarHBondContact CA-O 3.45Å
1048	C	94.8	Very high	94.2	Very high	8 Å²	8	40.1 Å²	40.1	5%	0.054	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	-161	180	74.4	0	0	0	0	111.5	F1046 D1054 A1076 F1077 S1078	F1046-C1048 HydrophobicContact CE1-CB 3.86Å; F1046-C1048 HydrophobicContact CZ-CB 4.09Å; C1048-D1054 VanDerWaalsContact CB-O 3.25Å; C1048-D1054 WeakPolarHBondContact CB-O 3.29Å; C1048-D1054 VanDerWaalsContact CB-OD1 3.31Å; C1048-D1054 WeakPolarHBondContact CB-OD1 3.3Å; C1048-D1054 PolarHBondContact SG-OD1 3.41Å; C1048-A1076 PolarHBondContact N-O 3.17Å; C1048-F1077 VanDerWaalsContact SG-CD1 3.58Å; C1048-S1078 WeakPolarHBondContact O-CB 3.46Å; C1048-S1078 PolarHBondContact O-N 2.9Å; C1048-S1078 PolarHBondContact O-OG 2.83Å
1049	R	91.4	Very high	94.5	Very high	74 Å²	74	38.1 Å²	38.1	28%	0.279	19%	0.193	S	C	.	.	S	Bend	trans	-90.3	-56.9	175.2	-64.8	174.4	176.5	-157.2	0.2	110.4	D1054 S1078 R1079 E1080	R1049-D1054 WeakPolarHBondContact CA-OD1 3.47Å; R1049-D1054 WeakPolarHBondContact CB-OD1 3.3Å; R1049-D1054 WeakPolarHBondContact CB-OD2 3.28Å; R1049-D1054 WeakPolarHBondContact CD-OD2 3.4Å; R1049-D1054 VanDerWaalsContact CG-OD2 3.27Å; R1049-D1054 WeakPolarHBondContact CG-OD2 3.42Å; R1049-D1054 PolarHBondContact N-OD1 3.23Å; R1049-D1054 PolarHBondContact N-OD2 3.03Å; R1049-S1078 PolarHBondContact O-N 2.84Å; R1049-R1079 HydrophobicContact CB-CB 4.1Å; R1049-R1079 HydrophobicContact CB-CG 4.14Å; R1049-R1079 HydrophobicContact CG-CG 4.23Å; R1049-R1079 CarbonylContact O-C 3.55Å; R1049-R1079 VanDerWaalsContact O-C 3.29Å; R1049-R1079 WeakPolarHBondContact O-CA 3.37Å; R1049-R1079 PolarHBondContact O-N 3.39Å; R1049-E1080 PolarHBondContact O-N 3.15Å
1050	C	91.6	Very high	94.9	Very high	16 Å²	16	40.1 Å²	40.1	11%	0.108	20%	0.201	C	C	.	.			trans	-143.7	136	-173.1	-45.7	0	0	0	0	110.1	Q1052 L1053 D1054 R1079 E1080	C1050-Q1052 PolarHBondContact O-N 3.44Å; C1050-Q1052 VanDerWaalsContact O-N 3.1Å; C1050-L1053 HydrophobicContact CB-CB 4.17Å; C1050-L1053 HydrophobicContact CB-CD1 4.07Å; C1050-L1053 HydrophobicContact CB-CG 4.12Å; C1050-L1053 PolarHBondContact O-N 2.83Å; C1050-D1054 PolarHBondContact N-OD1 2.94Å; C1050-D1054 PolarHBondContact O-N 2.8Å; C1050-R1079 PolarHBondContact SG-O 3.35Å; C1050-E1080 WeakPolarHBondContact CB-OE1 3.31Å
1051	S	92.2	Very high	95	Very high	30 Å²	30	38.2 Å²	38.2	21%	0.21	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-24.6	-177.2	59.6	0	0	0	0	114.8	H1055 E1080	S1051-H1055 WeakPolarHBondContact O-CB 3.34Å; S1051-E1080 WeakPolarHBondContact CB-OE2 3.37Å; S1051-E1080 PolarHBondContact N-OE2 3.45Å; S1051-E1080 PolarHBondContact OG-OE2 2.84Å
1052	Q	90.1	Very high	95	Very high	156 Å²	156	39.5 Å²	39.5	73%	0.729	19%	0.19	S	C	*	.	T	Hydrogen-bonded Turn	trans	-98.2	-4.4	179.9	-56.8	-171.7	16.5	0	0	114.5	S771 C1050	S771-Q1052 WeakPolarHBondContact CB-O 3.38Å; C1050-Q1052 PolarHBondContact O-N 3.44Å; C1050-Q1052 VanDerWaalsContact O-N 3.1Å
1053	L	90.5	Very high	94.9	Very high	56 Å²	56	42.7 Å²	42.7	29%	0.293	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-118.4	-51.1	-172.2	-62.6	-179.2	0	0	0	113.8	Q770 S771 K773 C1050	Q770-L1053 WeakPolarHBondContact CA-O 3.41Å; Q770-L1053 WeakPolarHBondContact CB-O 3.3Å; S771-L1053 PolarHBondContact N-O 2.7Å; K773-L1053 HydrophobicContact CB-CD2 4.02Å; C1050-L1053 HydrophobicContact CB-CB 4.17Å; C1050-L1053 HydrophobicContact CB-CD1 4.07Å; C1050-L1053 HydrophobicContact CB-CG 4.12Å; C1050-L1053 PolarHBondContact O-N 2.83Å
1054	D	90.6	Very high	94.8	Very high	12 Å²	12	42.2 Å²	42.2	6%	0.064	20%	0.204	C	C	.	.	S	Bend	trans	-133.8	28.7	-172.2	65.6	-10.4	0	0	0	114.4	Q770 R776 C1048 R1049 C1050 L1056	Q770-D1054 HydrophobicContact CG-CB 4.12Å; R776-D1054 IonicContact NH1-OD2 2.81Å; C1048-D1054 VanDerWaalsContact CB-O 3.25Å; C1048-D1054 WeakPolarHBondContact CB-O 3.29Å; C1048-D1054 VanDerWaalsContact CB-OD1 3.31Å; C1048-D1054 WeakPolarHBondContact CB-OD1 3.3Å; C1048-D1054 PolarHBondContact SG-OD1 3.41Å; R1049-D1054 WeakPolarHBondContact CA-OD1 3.47Å; R1049-D1054 WeakPolarHBondContact CB-OD1 3.3Å; R1049-D1054 WeakPolarHBondContact CB-OD2 3.28Å; R1049-D1054 WeakPolarHBondContact CD-OD2 3.4Å; R1049-D1054 VanDerWaalsContact CG-OD2 3.27Å; R1049-D1054 WeakPolarHBondContact CG-OD2 3.42Å; R1049-D1054 PolarHBondContact N-OD1 3.23Å; R1049-D1054 PolarHBondContact N-OD2 3.03Å; C1050-D1054 PolarHBondContact N-OD1 2.94Å; C1050-D1054 PolarHBondContact O-N 2.8Å; D1054-L1056 VanDerWaalsContact C-N 3.28Å; D1054-L1056 PolarHBondContact O-N 2.94Å
1055	H	94.6	Very high	94.7	Very high	40 Å²	40	46 Å²	46	19%	0.185	22%	0.222	C	C	.	.			trans	-76.8	76.2	169.7	-159.9	156	0	0	0	110.8	F1046 S1051	F1046-H1055 AromaticContact CD1-CD2 3.87Å; F1046-H1055 AromaticContact CD1-NE2 4Å; F1046-H1055 AromaticContact CE1-CD2 3.78Å; S1051-H1055 WeakPolarHBondContact O-CB 3.34Å
1056	L	95.9	Very high	94.6	Very high	3 Å²	3	52.6 Å²	52.6	2%	0.016	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.2	139.5	-177.1	-53.1	180	0	0	0	111.9	L769 Q770 T778 T956 I1018 F1046 D1054 R1058	L769-L1056 HydrophobicContact CB-CD2 3.76Å; Q770-L1056 HydrophobicContact CG-CD2 4.03Å; T778-L1056 HydrophobicContact CG2-CD1 3.94Å; T778-L1056 HydrophobicContact CG2-CD2 4.04Å; T956-L1056 HydrophobicContact CG2-CD1 4.31Å; I1018-L1056 HydrophobicContact CG2-CB 4.36Å; I1018-L1056 HydrophobicContact CG2-CD1 4.15Å; F1046-L1056 HydrophobicContact CZ-CB 4.24Å; F1046-L1056 HydrophobicContact CZ-CG 4.36Å; D1054-L1056 VanDerWaalsContact C-N 3.28Å; D1054-L1056 PolarHBondContact O-N 2.94Å; L1056-R1058 PolarHBondContact O-N 3.21Å
1057	Y	97.2	Very high	94.4	Very high	14 Å²	14	57.5 Å²	57.5	6%	0.055	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	55.6	18.5	174.7	-54.5	-62.7	0	0	0	116.5	L769 T956 I1018 R1022 W1025 D1059 E1060 V1061	L769-Y1057 HydrophobicContact CD1-CE1 3.74Å; L769-Y1057 HydrophobicContact CD1-CE2 4.04Å; L769-Y1057 VanDerWaalsContact CD1-CZ 3.43Å; L769-Y1057 WeakPolarHBondContact CD1-OH 3.47Å; L769-Y1057 HydrophobicContact CD2-CD1 4.03Å; L769-Y1057 HydrophobicContact CD2-CE1 3.56Å; L769-Y1057 HydrophobicContact CG-CE1 4.3Å; T956-Y1057 HydrophobicContact CG2-CE2 3.69Å; T956-Y1057 PolarHBondContact OG1-OH 3.21Å; I1018-Y1057 HydrophobicContact CD1-CD2 4.39Å; I1018-Y1057 HydrophobicContact CG2-CD2 3.88Å; I1018-Y1057 HydrophobicContact CG2-CE2 4.05Å; R1022-Y1057 VanDerWaalsContact CD-CE1 3.47Å; R1022-Y1057 VanDerWaalsContact NE-CE1 3.33Å; W1025-Y1057 HydrophobicContact CH2-CD2 4.12Å; W1025-Y1057 HydrophobicContact CH2-CG 4.21Å; W1025-Y1057 HydrophobicContact CZ2-CG 4.25Å; Y1057-D1059 VanDerWaalsContact C-N 3.26Å; Y1057-D1059 PolarHBondContact O-N 2.97Å; Y1057-D1059 VanDerWaalsContact O-N 3.09Å; Y1057-E1060 VanDerWaalsContact CD1-OE1 3.27Å; Y1057-E1060 WeakPolarHBondContact CD1-OE1 3.28Å; Y1057-E1060 WeakPolarHBondContact O-CB 3.49Å; Y1057-E1060 PolarHBondContact O-N 2.88Å; Y1057-V1061 WeakPolarHBondContact O-CG2 3.44Å; Y1057-V1061 PolarHBondContact O-N 3.31Å
1058	R	95.1	Very high	94.3	Very high	121 Å²	121	58.9 Å²	58.9	46%	0.457	29%	0.285	S	S	.	.	H	α-helix	trans	-42.3	-49.7	-177.7	179.5	-178.9	174.5	164.5	-0.3	113.9	L1056 V1061 Q1062	L1056-R1058 PolarHBondContact O-N 3.21Å; R1058-V1061 PolarHBondContact O-N 3.41Å; R1058-Q1062 WeakPolarHBondContact O-CB 3.16Å; R1058-Q1062 PolarHBondContact O-N 3.4Å
1059	D	95.4	Very high	94.3	Very high	123 Å²	123	58.6 Å²	58.6	66%	0.658	28%	0.283	S	S	*	.	H	α-helix	trans	-75.9	-32.2	-173.6	-52.7	-24.6	0	0	0	112.2	Y1057 N1063	Y1057-D1059 VanDerWaalsContact C-N 3.26Å; Y1057-D1059 PolarHBondContact O-N 2.97Å; Y1057-D1059 VanDerWaalsContact O-N 3.09Å; D1059-N1063 WeakPolarHBondContact O-CB 3.4Å; D1059-N1063 PolarHBondContact O-N 2.99Å
1060	E	96.8	Very high	94.6	Very high	58 Å²	58	55.3 Å²	55.3	27%	0.271	27%	0.271	S	S	.	.	H	α-helix	trans	-65.9	-44.7	170.6	-69.1	-168.6	-131.4	0	0	111.2	R1022 W1025 Y1057 N1063 A1064	R1022-E1060 IonicContact CZ-OE1 2.75Å; R1022-E1060 VanDerWaalsContact CZ-OE1 3.27Å; R1022-E1060 IonicContact CZ-OE2 2.64Å; R1022-E1060 VanDerWaalsContact CZ-OE2 3.28Å; R1022-E1060 IonicContact NE-OE1 3.02Å; R1022-E1060 PolarHBondContact NE-OE1 2.99Å; R1022-E1060 IonicContact NE-OE2 2.69Å; R1022-E1060 PolarHBondContact NE-OE2 2.91Å; R1022-E1060 VanDerWaalsContact NE-OE2 3.07Å; R1022-E1060 IonicContact NH2-OE1 3.83Å; R1022-E1060 PolarHBondContact NH2-OE1 3.1Å; R1022-E1060 IonicContact NH2-OE2 3.14Å; R1022-E1060 PolarHBondContact NH2-OE2 3.33Å; W1025-E1060 HydrophobicContact CZ2-CB 4.18Å; Y1057-E1060 VanDerWaalsContact CD1-OE1 3.27Å; Y1057-E1060 WeakPolarHBondContact CD1-OE1 3.28Å; Y1057-E1060 WeakPolarHBondContact O-CB 3.49Å; Y1057-E1060 PolarHBondContact O-N 2.88Å; E1060-N1063 PolarHBondContact O-N 2.7Å; E1060-A1064 WeakPolarHBondContact O-CB 3.36Å; E1060-A1064 PolarHBondContact O-N 2.8Å
1061	V	96.8	Very high	94.8	Very high	9 Å²	9	56.8 Å²	56.8	6%	0.055	29%	0.289	C	S	.	.	H	α-helix	trans	-65.1	-40.7	179.2	173	0	0	0	0	110.7	I1018 W1025 L1044 Y1057 R1058 A1064 Q1065 F1070 V1073	I1018-V1061 HydrophobicContact CD1-CG2 4.42Å; W1025-V1061 HydrophobicContact CE3-CG2 4.42Å; W1025-V1061 HydrophobicContact CH2-CG2 3.57Å; W1025-V1061 HydrophobicContact CZ2-CG2 3.85Å; W1025-V1061 HydrophobicContact CZ3-CG2 3.89Å; L1044-V1061 HydrophobicContact CD2-CG1 3.77Å; L1044-V1061 HydrophobicContact CD2-CG2 4.13Å; Y1057-V1061 WeakPolarHBondContact O-CG2 3.44Å; Y1057-V1061 PolarHBondContact O-N 3.31Å; R1058-V1061 PolarHBondContact O-N 3.41Å; V1061-A1064 PolarHBondContact O-N 2.79Å; V1061-Q1065 WeakPolarHBondContact O-CB 3.47Å; V1061-Q1065 PolarHBondContact O-N 2.86Å; V1061-F1070 HydrophobicContact CG1-CD2 4.41Å; V1061-F1070 HydrophobicContact CG1-CE2 4.35Å; V1061-V1073 HydrophobicContact CG1-CB 4.42Å; V1061-V1073 HydrophobicContact CG1-CG1 3.68Å; V1061-V1073 HydrophobicContact CG1-CG2 3.86Å
1062	Q	96.1	Very high	94.9	Very high	91 Å²	91	59.3 Å²	59.3	43%	0.425	29%	0.293	S	S	.	.	H	α-helix	trans	-63.6	-39.8	174.2	-175.3	172.5	-17.9	0	0	111.8	R1058 Q1065 Q1066	R1058-Q1062 WeakPolarHBondContact O-CB 3.16Å; R1058-Q1062 PolarHBondContact O-N 3.4Å; Q1062-Q1065 PolarHBondContact O-N 2.74Å; Q1062-Q1066 VanDerWaalsContact O-CG 3.3Å; Q1062-Q1066 WeakPolarHBondContact O-CG 3.18Å; Q1062-Q1066 PolarHBondContact O-N 2.96Å
1063	N	96.4	Very high	95.3	Very high	68 Å²	68	53.5 Å²	53.5	36%	0.364	27%	0.269	S	S	.	.	H	α-helix	trans	-65.5	-44.9	173.9	-172	-100.9	0	0	0	112	D1059 E1060 Q1065 Q1066 R1067	D1059-N1063 WeakPolarHBondContact O-CB 3.4Å; D1059-N1063 PolarHBondContact O-N 2.99Å; E1060-N1063 PolarHBondContact O-N 2.7Å; N1063-Q1065 VanDerWaalsContact C-N 3.31Å; N1063-Q1065 PolarHBondContact O-N 2.98Å; N1063-Q1066 PolarHBondContact O-N 2.81Å; N1063-R1067 WeakPolarHBondContact O-CB 3.49Å; N1063-R1067 VanDerWaalsContact O-CG 3.25Å; N1063-R1067 WeakPolarHBondContact O-CG 3.38Å; N1063-R1067 PolarHBondContact O-N 2.83Å; N1063-R1067 VanDerWaalsContact O-N 3.13Å; N1063-R1067 VanDerWaalsContact OD1-CD 3.31Å; N1063-R1067 WeakPolarHBondContact OD1-CD 3.45Å
1064	A	95.9	Very high	95.6	Very high	1 Å²	1	52 Å²	52	1%	0.008	26%	0.261	C	S	.	.	H	α-helix	trans	-60.3	-39.5	177.2	0	0	0	0	0	112	W1025 E1060 V1061 R1067 G1068 V1069 F1070	W1025-A1064 HydrophobicContact CG-CB 4.43Å; E1060-A1064 WeakPolarHBondContact O-CB 3.36Å; E1060-A1064 PolarHBondContact O-N 2.8Å; V1061-A1064 PolarHBondContact O-N 2.79Å; A1064-R1067 CarbonylContact O-C 3.59Å; A1064-R1067 PolarHBondContact O-N 3.02Å; A1064-G1068 PolarHBondContact O-N 3.36Å; A1064-V1069 HydrophobicContact CB-CB 4.14Å; A1064-V1069 WeakPolarHBondContact O-CB 3.32Å; A1064-V1069 PolarHBondContact O-N 3.38Å; A1064-F1070 HydrophobicContact CB-CD2 3.76Å; A1064-F1070 HydrophobicContact CB-CE2 3.81Å
1065	Q	95.9	Very high	95.8	Very high	80 Å²	80	52.8 Å²	52.8	37%	0.374	27%	0.266	S	S	.	.	H	α-helix	trans	-65.6	-46.6	174.2	-167.5	-178.4	14.6	0	0	112.2	V1061 Q1062 N1063 R1067 G1068 F1070 V1073	V1061-Q1065 WeakPolarHBondContact O-CB 3.47Å; V1061-Q1065 PolarHBondContact O-N 2.86Å; Q1062-Q1065 PolarHBondContact O-N 2.74Å; N1063-Q1065 VanDerWaalsContact C-N 3.31Å; N1063-Q1065 PolarHBondContact O-N 2.98Å; Q1065-R1067 PolarHBondContact O-N 2.92Å; Q1065-G1068 PolarHBondContact O-N 2.91Å; Q1065-F1070 HydrophobicContact CB-CB 4.12Å; Q1065-F1070 HydrophobicContact CG-CB 4.17Å; Q1065-F1070 WeakPolarHBondContact CG-O 3.48Å; Q1065-V1073 HydrophobicContact CB-CG2 4.26Å; Q1065-V1073 HydrophobicContact CG-CG2 4.22Å
1066	Q	95.5	Very high	95.9	Very high	139 Å²	139	51 Å²	51	65%	0.65	26%	0.258	S	S	*	.	H	α-helix	trans	-59	-20.6	175.7	-75.6	173.4	-13.7	0	0	113.6	Q1062 N1063	Q1062-Q1066 VanDerWaalsContact O-CG 3.3Å; Q1062-Q1066 WeakPolarHBondContact O-CG 3.18Å; Q1062-Q1066 PolarHBondContact O-N 2.96Å; N1063-Q1066 PolarHBondContact O-N 2.81Å
1067	R	93.9	Very high	95.9	Very high	104 Å²	104	53.4 Å²	53.4	39%	0.392	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.4	16.6	-176	-59.8	-179.1	74.2	-156.7	-5.6	113.2	L1029 E1033 N1063 A1064 Q1065 V1069	L1029-R1067 HydrophobicContact CD1-CB 3.98Å; E1033-R1067 VanDerWaalsContact CG-NH2 3.33Å; E1033-R1067 IonicContact OE1-CZ 3.6Å; E1033-R1067 IonicContact OE1-NH1 3.26Å; E1033-R1067 PolarHBondContact OE1-NH1 2.69Å; E1033-R1067 IonicContact OE1-NH2 2.98Å; E1033-R1067 PolarHBondContact OE1-NH2 3.27Å; N1063-R1067 WeakPolarHBondContact O-CB 3.49Å; N1063-R1067 VanDerWaalsContact O-CG 3.25Å; N1063-R1067 WeakPolarHBondContact O-CG 3.38Å; N1063-R1067 PolarHBondContact O-N 2.83Å; N1063-R1067 VanDerWaalsContact O-N 3.13Å; N1063-R1067 VanDerWaalsContact OD1-CD 3.31Å; N1063-R1067 WeakPolarHBondContact OD1-CD 3.45Å; A1064-R1067 CarbonylContact O-C 3.59Å; A1064-R1067 PolarHBondContact O-N 3.02Å; Q1065-R1067 PolarHBondContact O-N 2.92Å; R1067-V1069 PolarHBondContact O-N 2.98Å
1068	G	93	Very high	95.7	Very high	33 Å²	33	53.9 Å²	53.9	34%	0.34	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	82.8	-0.8	170.3	0	0	0	0	0	116	P1041 A1064 Q1065 F1070	P1041-G1068 WeakPolarHBondContact CB-O 3.32Å; P1041-G1068 WeakPolarHBondContact CG-O 3.35Å; A1064-G1068 PolarHBondContact O-N 3.36Å; Q1065-G1068 PolarHBondContact O-N 2.91Å; G1068-F1070 VanDerWaalsContact C-N 3.33Å
1069	V	96.1	Very high	95.6	Very high	3 Å²	3	55.3 Å²	55.3	2%	0.018	28%	0.279	C	S	.	.	S	Bend	trans	-69.6	-33.4	178.3	179.6	0	0	0	0	111.5	W1025 R1028 L1029 I1032 M1042 A1064 R1067	W1025-V1069 HydrophobicContact CB-CG1 3.84Å; R1028-V1069 HydrophobicContact CB-CG1 3.75Å; R1028-V1069 HydrophobicContact CB-CG2 4.49Å; L1029-V1069 HydrophobicContact CB-CG2 4.02Å; L1029-V1069 HydrophobicContact CD1-CG2 3.81Å; I1032-V1069 HydrophobicContact CD1-CG2 3.81Å; M1042-V1069 HydrophobicContact CE-CG1 3.78Å; M1042-V1069 PolarHBondContact N-O 3.47Å; A1064-V1069 HydrophobicContact CB-CB 4.14Å; A1064-V1069 WeakPolarHBondContact O-CB 3.32Å; A1064-V1069 PolarHBondContact O-N 3.38Å; R1067-V1069 PolarHBondContact O-N 2.98Å
1070	F	97.7	Very high	95.3	Very high	5 Å²	5	51.2 Å²	51.2	2%	0.022	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	130.2	174.2	-65.5	-64.4	0	0	0	111.4	L1011 W1025 M1042 L1044 V1061 A1064 Q1065 G1068 V1073	L1011-F1070 HydrophobicContact CD1-CE1 4.13Å; W1025-F1070 HydrophobicContact CB-CE2 3.77Å; W1025-F1070 HydrophobicContact CB-CZ 3.67Å; W1025-F1070 HydrophobicContact CD2-CE2 4.14Å; W1025-F1070 HydrophobicContact CD2-CZ 4.18Å; W1025-F1070 HydrophobicContact CE3-CE2 4.08Å; W1025-F1070 AromaticContact CE3-CZ 3.78Å; W1025-F1070 HydrophobicContact CE3-CZ 3.78Å; W1025-F1070 HydrophobicContact CG-CE2 4.08Å; W1025-F1070 HydrophobicContact CG-CZ 4.22Å; M1042-F1070 HydrophobicContact CB-CD1 3.88Å; M1042-F1070 HydrophobicContact CB-CE1 4.03Å; M1042-F1070 HydrophobicContact CE-CE1 3.91Å; M1042-F1070 HydrophobicContact CE-CZ 4.32Å; M1042-F1070 CarbonylContact O-C 3.52Å; M1042-F1070 VanDerWaalsContact O-CA 3.28Å; M1042-F1070 WeakPolarHBondContact O-CA 3.49Å; L1044-F1070 HydrophobicContact CB-CD1 3.94Å; L1044-F1070 HydrophobicContact CB-CE1 3.75Å; L1044-F1070 HydrophobicContact CB-CZ 4.27Å; L1044-F1070 HydrophobicContact CD2-CE1 4.37Å; L1044-F1070 HydrophobicContact CD2-CE2 4.36Å; L1044-F1070 HydrophobicContact CD2-CZ 4.04Å; V1061-F1070 HydrophobicContact CG1-CD2 4.41Å; V1061-F1070 HydrophobicContact CG1-CE2 4.35Å; A1064-F1070 HydrophobicContact CB-CD2 3.76Å; A1064-F1070 HydrophobicContact CB-CE2 3.81Å; Q1065-F1070 HydrophobicContact CB-CB 4.12Å; Q1065-F1070 HydrophobicContact CG-CB 4.17Å; Q1065-F1070 WeakPolarHBondContact CG-O 3.48Å; G1068-F1070 VanDerWaalsContact C-N 3.33Å; F1070-V1073 HydrophobicContact CB-CG2 3.75Å; F1070-V1073 HydrophobicContact CD2-CG2 4.21Å; F1070-V1073 HydrophobicContact CG-CG2 3.99Å
1071	G	94.3	Very high	94.8	Very high	46 Å²	46	52.5 Å²	52.5	47%	0.474	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	-43	168.5	0	0	0	0	0	111.4	M1042	M1042-G1071 PolarHBondContact O-N 2.93Å
1072	R	95.8	Very high	94.3	Very high	83 Å²	83	60.2 Å²	60.2	31%	0.313	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	139.3	176.6	-63.6	179.2	71.7	175.9	-1.9	110.7	T1043 L1044 E1095 L1096 E1099	T1043-R1072 WeakPolarHBondContact CA-O 3.34Å; T1043-R1072 HydrophobicContact CG2-CB 4.07Å; L1044-R1072 PolarHBondContact N-O 2.96Å; R1072-E1095 PolarHBondContact NH1-O 2.87Å; R1072-E1095 PolarHBondContact NH2-O 3.17Å; R1072-L1096 VanDerWaalsContact NH1-CD2 3.31Å; R1072-E1099 VanDerWaalsContact CD-OE2 3.23Å; R1072-E1099 WeakPolarHBondContact CD-OE2 3.34Å; R1072-E1099 IonicContact CZ-OE2 3.56Å; R1072-E1099 IonicContact NE-OE2 2.93Å; R1072-E1099 IonicContact NH1-OE2 3Å; R1072-E1099 PolarHBondContact NH1-OE2 2.95Å
1073	V	97.1	Very high	93.8	Very high	34 Å²	34	60.9 Å²	60.9	21%	0.206	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	117.5	169.7	179	0	0	0	0	107.2	L1044 V1061 Q1065 F1070	L1044-V1073 HydrophobicContact CB-CG2 4.43Å; L1044-V1073 HydrophobicContact CD2-CG1 4.34Å; V1061-V1073 HydrophobicContact CG1-CB 4.42Å; V1061-V1073 HydrophobicContact CG1-CG1 3.68Å; V1061-V1073 HydrophobicContact CG1-CG2 3.86Å; Q1065-V1073 HydrophobicContact CB-CG2 4.26Å; Q1065-V1073 HydrophobicContact CG-CG2 4.22Å; F1070-V1073 HydrophobicContact CB-CG2 3.75Å; F1070-V1073 HydrophobicContact CD2-CG2 4.21Å; F1070-V1073 HydrophobicContact CG-CG2 3.99Å
1074	L	97.3	Very high	93.4	Very high	26 Å²	26	62.4 Å²	62.4	14%	0.136	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	138.5	179.8	-54.3	177.6	0	0	0	108.8	L1044 F1046 I1091 E1095 L1096	L1044-L1074 PolarHBondContact O-N 2.78Å; F1046-L1074 PolarHBondContact N-O 2.94Å; L1074-I1091 HydrophobicContact CB-CG2 3.74Å; L1074-I1091 HydrophobicContact CD1-CG2 3.51Å; L1074-I1091 HydrophobicContact CG-CG2 4.27Å; L1074-E1095 HydrophobicContact CD1-CB 4.09Å; L1074-L1096 HydrophobicContact CD1-CD1 3.79Å; L1074-L1096 HydrophobicContact CD1-CD2 4.16Å; L1074-L1096 HydrophobicContact CD1-CG 3.81Å
1075	T	96.3	Very high	93.3	Very high	27 Å²	27	67.8 Å²	67.8	17%	0.166	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	118.3	-177.7	-61.3	0	0	0	0	111.7	F1046 F1077	F1046-T1075 HydrophobicContact CD1-CG2 3.69Å; F1046-T1075 HydrophobicContact CE1-CG2 4.39Å; F1046-T1075 WeakPolarHBondContact O-CA 3.36Å; T1075-F1077 HydrophobicContact CG2-CD1 4.08Å; T1075-F1077 HydrophobicContact CG2-CE1 3.42Å; T1075-F1077 VanDerWaalsContact CG2-CE1 3.42Å; T1075-F1077 HydrophobicContact CG2-CE2 4.16Å; T1075-F1077 HydrophobicContact CG2-CZ 3.47Å; T1075-F1077 VanDerWaalsContact CG2-CZ 3.47Å
1076	A	95.9	Very high	93.2	Very high	2 Å²	2	65.7 Å²	65.7	2%	0.017	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	120.8	174.5	0	0	0	0	0	111.6	F1046 G1047 C1048 T1086 V1088 I1091	F1046-A1076 PolarHBondContact O-N 2.8Å; G1047-A1076 CarbonylContact C-O 3.49Å; G1047-A1076 WeakPolarHBondContact CA-O 3.45Å; C1048-A1076 PolarHBondContact N-O 3.17Å; A1076-T1086 HydrophobicContact CB-CG2 4.07Å; A1076-V1088 HydrophobicContact CB-CG1 4.46Å; A1076-I1091 HydrophobicContact CB-CD1 4.41Å; A1076-I1091 HydrophobicContact CB-CG1 3.82Å
1077	F	96	Very high	93.1	Very high	55 Å²	55	62.5 Å²	62.5	24%	0.241	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	121.7	174.5	-56	-70.2	0	0	0	111.5	C1048 T1075 E1080 T1086	C1048-F1077 VanDerWaalsContact SG-CD1 3.58Å; T1075-F1077 HydrophobicContact CG2-CD1 4.08Å; T1075-F1077 HydrophobicContact CG2-CE1 3.42Å; T1075-F1077 VanDerWaalsContact CG2-CE1 3.42Å; T1075-F1077 HydrophobicContact CG2-CE2 4.16Å; T1075-F1077 HydrophobicContact CG2-CZ 3.47Å; T1075-F1077 VanDerWaalsContact CG2-CZ 3.47Å; F1077-E1080 HydrophobicContact CB-CB 3.84Å; F1077-E1080 HydrophobicContact CG-CB 4.48Å; F1077-T1086 CarbonylContact C-O 3.57Å; F1077-T1086 PolarHBondContact O-N 3.28Å; F1077-T1086 VanDerWaalsContact O-N 3.09Å
1078	S	92.9	Very high	93.3	Very high	23 Å²	23	57.6 Å²	57.6	16%	0.161	31%	0.311	C	S	.	.	S	Bend	trans	-98.5	-3.3	-174.1	64	0	0	0	0	114.8	C1048 R1049 K1085	C1048-S1078 WeakPolarHBondContact O-CB 3.46Å; C1048-S1078 PolarHBondContact O-N 2.9Å; C1048-S1078 PolarHBondContact O-OG 2.83Å; R1049-S1078 PolarHBondContact O-N 2.84Å; S1078-K1085 WeakPolarHBondContact O-CE 3.4Å; S1078-K1085 WeakPolarHBondContact O-CG 3.44Å
1079	R	91.8	Very high	93.4	Very high	152 Å²	152	57.1 Å²	57.1	57%	0.574	30%	0.3	S	S	*	.	S	Bend	trans	-153.5	22.7	179.4	-54	-172.3	-176.4	-143.9	-4.6	113.7	R1049 C1050	R1049-R1079 HydrophobicContact CB-CB 4.1Å; R1049-R1079 HydrophobicContact CB-CG 4.14Å; R1049-R1079 HydrophobicContact CG-CG 4.23Å; R1049-R1079 CarbonylContact O-C 3.55Å; R1049-R1079 VanDerWaalsContact O-C 3.29Å; R1049-R1079 WeakPolarHBondContact O-CA 3.37Å; R1049-R1079 PolarHBondContact O-N 3.39Å; C1050-R1079 PolarHBondContact SG-O 3.35Å
1080	E	90.9	Very high	93.3	Very high	36 Å²	36	58.5 Å²	58.5	17%	0.168	31%	0.307	C	S	.	.			trans	-68.1	137.8	175.1	-159.4	72.7	-82	0	0	109.5	R1049 C1050 S1051 F1077 N1083	R1049-E1080 PolarHBondContact O-N 3.15Å; C1050-E1080 WeakPolarHBondContact CB-OE1 3.31Å; S1051-E1080 WeakPolarHBondContact CB-OE2 3.37Å; S1051-E1080 PolarHBondContact N-OE2 3.45Å; S1051-E1080 PolarHBondContact OG-OE2 2.84Å; F1077-E1080 HydrophobicContact CB-CB 3.84Å; F1077-E1080 HydrophobicContact CG-CB 4.48Å; E1080-N1083 HydrophobicContact CB-CB 4.24Å
1081	P	85.9	Confident	93.2	Very high	85 Å²	85	58.7 Å²	58.7	55%	0.552	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.6	149.1	172.2	-26.1	35.8	0	0	0	112	N1083	P1081-N1083 PolarHBondContact O-N 2.9Å; P1081-N1083 PolarHBondContact O-ND2 3.08Å
1082	D	85.2	Confident	93.3	Very high	171 Å²	171	56.5 Å²	56.5	91%	0.914	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.5	9.4	172.4	-46.5	-48.5	0	0	0	116.2
1083	N	85.1	Confident	93.3	Very high	105 Å²	105	58.5 Å²	58.5	56%	0.561	29%	0.293	S	S	*	.	S	Bend	trans	-119	149.8	-178.6	-76.9	-92.4	0	0	0	111.9	E1080 P1081	E1080-N1083 HydrophobicContact CB-CB 4.24Å; P1081-N1083 PolarHBondContact O-N 2.9Å; P1081-N1083 PolarHBondContact O-ND2 3.08Å
1084	P	89.9	Confident	93.1	Very high	100 Å²	100	61.5 Å²	61.5	65%	0.649	31%	0.312	S	S	*	.			trans	-66.9	145.8	173.4	29.5	-35	0	0	0	111.5	T1086	P1084-T1086 PolarHBondContact O-N 2.97Å; P1084-T1086 PolarHBondContact O-OG1 2.81Å
1085	K	92.9	Very high	93	Very high	115 Å²	115	64.4 Å²	64.4	50%	0.5	32%	0.324	S	S	.	.			trans	-69.6	101.3	-178.4	-177.7	171.3	-155.7	175.7	0	111.6	S1078 Y1087	S1078-K1085 WeakPolarHBondContact O-CE 3.4Å; S1078-K1085 WeakPolarHBondContact O-CG 3.44Å; K1085-Y1087 VanDerWaalsContact CE-OH 3.24Å; K1085-Y1087 WeakPolarHBondContact CE-OH 3.33Å; K1085-Y1087 HydrophobicContact CG-CE2 4.37Å
1086	T	92.9	Very high	93	Very high	36 Å²	36	63.2 Å²	63.2	22%	0.221	32%	0.317	C	S	.	.			trans	-107.6	144	-172.3	-53.1	0	0	0	0	111.3	A1076 F1077 P1084 D1090 I1091	A1076-T1086 HydrophobicContact CB-CG2 4.07Å; F1077-T1086 CarbonylContact C-O 3.57Å; F1077-T1086 PolarHBondContact O-N 3.28Å; F1077-T1086 VanDerWaalsContact O-N 3.09Å; P1084-T1086 PolarHBondContact O-N 2.97Å; P1084-T1086 PolarHBondContact O-OG1 2.81Å; T1086-D1090 HydrophobicContact CG2-CB 4.06Å; T1086-I1091 HydrophobicContact CG2-CD1 3.79Å; T1086-I1091 HydrophobicContact CG2-CG1 4.17Å
1087	Y	95	Very high	93	Very high	71 Å²	71	63.9 Å²	63.9	28%	0.278	32%	0.323	S	S	.	.			trans	-124.6	170.6	170.9	-51.4	-84.5	0	0	0	111.6	K1085 Q1089 D1090 I1091 R1165	K1085-Y1087 VanDerWaalsContact CE-OH 3.24Å; K1085-Y1087 WeakPolarHBondContact CE-OH 3.33Å; K1085-Y1087 HydrophobicContact CG-CE2 4.37Å; Y1087-Q1089 VanDerWaalsContact C-N 3.27Å; Y1087-Q1089 PolarHBondContact O-N 2.85Å; Y1087-D1090 WeakPolarHBondContact CD2-OD2 3.33Å; Y1087-D1090 PolarHBondContact N-OD2 3.18Å; Y1087-D1090 WeakPolarHBondContact O-CB 3.38Å; Y1087-D1090 PolarHBondContact O-N 3.45Å; Y1087-I1091 PolarHBondContact O-N 3.37Å; Y1087-R1165 PolarHBondContact OH-NH2 3.41Å
1088	V	96.6	Very high	93	Very high	2 Å²	2	64 Å²	64	1%	0.012	33%	0.334	C	S	.	.	H	α-helix	trans	-57.4	-35.7	-179.6	-64.4	0	0	0	0	113.4	V1012 P1014 V1045 F1046 A1076 D1090 I1091 L1092 M1119 V1123	V1012-V1088 HydrophobicContact CG1-CB 3.82Å; V1012-V1088 HydrophobicContact CG1-CG1 4.43Å; V1012-V1088 HydrophobicContact CG1-CG2 3.83Å; P1014-V1088 HydrophobicContact CB-CG1 4.06Å; P1014-V1088 HydrophobicContact CG-CG1 4.19Å; P1014-V1088 HydrophobicContact CG-CG2 4.26Å; V1045-V1088 HydrophobicContact CG1-CB 3.93Å; V1045-V1088 HydrophobicContact CG1-CG1 4.11Å; F1046-V1088 WeakPolarHBondContact O-CG1 3.45Å; A1076-V1088 HydrophobicContact CB-CG1 4.46Å; V1088-D1090 VanDerWaalsContact C-N 3.28Å; V1088-D1090 PolarHBondContact O-N 3.11Å; V1088-I1091 PolarHBondContact O-N 3.22Å; V1088-L1092 WeakPolarHBondContact O-CG 3.43Å; V1088-L1092 PolarHBondContact O-N 3.05Å; V1088-M1119 HydrophobicContact CG2-CG 4.02Å; V1088-M1119 HydrophobicContact CG2-SD 3.76Å; V1088-V1123 HydrophobicContact CG2-CG2 3.88Å
1089	Q	95.1	Very high	93.1	Very high	23 Å²	23	64.2 Å²	64.2	11%	0.107	33%	0.332	C	S	.	.	H	α-helix	trans	-72.4	-19.1	175.9	77.9	-77.8	-7.5	0	0	113.6	Y1087 R1093 N1122 V1123 T1126	Y1087-Q1089 VanDerWaalsContact C-N 3.27Å; Y1087-Q1089 PolarHBondContact O-N 2.85Å; Q1089-R1093 WeakPolarHBondContact O-CB 3.49Å; Q1089-R1093 PolarHBondContact O-N 3.32Å; Q1089-N1122 HydrophobicContact CG-CB 4.11Å; Q1089-V1123 HydrophobicContact CB-CG2 4.14Å; Q1089-T1126 HydrophobicContact CB-CG2 4.46Å; Q1089-T1126 WeakPolarHBondContact O-CG2 3.18Å
1090	D	94.8	Very high	93.3	Very high	32 Å²	32	57 Å²	57	17%	0.171	31%	0.305	C	S	.	.	H	α-helix	trans	-76.1	-45.8	172.8	-57	-61.2	0	0	0	110.2	T1086 Y1087 V1088 L1092 R1093 T1094	T1086-D1090 HydrophobicContact CG2-CB 4.06Å; Y1087-D1090 WeakPolarHBondContact CD2-OD2 3.33Å; Y1087-D1090 PolarHBondContact N-OD2 3.18Å; Y1087-D1090 WeakPolarHBondContact O-CB 3.38Å; Y1087-D1090 PolarHBondContact O-N 3.45Å; V1088-D1090 VanDerWaalsContact C-N 3.28Å; V1088-D1090 PolarHBondContact O-N 3.11Å; D1090-L1092 VanDerWaalsContact C-N 3.32Å; D1090-L1092 PolarHBondContact O-N 3.07Å; D1090-R1093 WeakPolarHBondContact O-CB 3.31Å; D1090-R1093 PolarHBondContact O-N 2.91Å; D1090-R1093 IonicContact OD1-CZ 2.81Å; D1090-R1093 VanDerWaalsContact OD1-CZ 3.24Å; D1090-R1093 IonicContact OD1-NH1 3.6Å; D1090-R1093 PolarHBondContact OD1-NH1 2.85Å; D1090-R1093 IonicContact OD1-NH2 3.72Å; D1090-R1093 PolarHBondContact OD1-NH2 3.5Å; D1090-T1094 PolarHBondContact O-N 3.03Å; D1090-T1094 PolarHBondContact O-OG1 3.01Å
1091	I	96.3	Very high	93.5	Very high	9 Å²	9	56.7 Å²	56.7	5%	0.046	30%	0.303	C	S	.	.	H	α-helix	trans	-54.9	-46.2	172.2	-55.4	-64.5	0	0	0	111.2	V1045 L1074 A1076 T1086 Y1087 V1088 R1093 T1094 E1095 L1096	V1045-I1091 HydrophobicContact CG1-CB 4.07Å; V1045-I1091 HydrophobicContact CG1-CG2 3.98Å; L1074-I1091 HydrophobicContact CB-CG2 3.74Å; L1074-I1091 HydrophobicContact CD1-CG2 3.51Å; L1074-I1091 HydrophobicContact CG-CG2 4.27Å; A1076-I1091 HydrophobicContact CB-CD1 4.41Å; A1076-I1091 HydrophobicContact CB-CG1 3.82Å; T1086-I1091 HydrophobicContact CG2-CD1 3.79Å; T1086-I1091 HydrophobicContact CG2-CG1 4.17Å; Y1087-I1091 PolarHBondContact O-N 3.37Å; V1088-I1091 PolarHBondContact O-N 3.22Å; I1091-R1093 VanDerWaalsContact C-N 3.25Å; I1091-R1093 PolarHBondContact O-N 2.89Å; I1091-T1094 PolarHBondContact O-N 3.28Å; I1091-E1095 VanDerWaalsContact CD1-OE1 3.26Å; I1091-E1095 WeakPolarHBondContact CD1-OE1 3.41Å; I1091-E1095 HydrophobicContact CG2-CB 4.33Å; I1091-E1095 PolarHBondContact O-N 2.92Å; I1091-L1096 HydrophobicContact CG2-CD1 4.4Å
1092	L	96.9	Very high	94	Very high	0 Å²	0	57.6 Å²	57.6	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-56.4	-41.1	176.5	-74.2	170.9	0	0	0	112.1	V1012 V1045 V1088 D1090 L1096 A1097 V1100 M1111 V1123 I1130	V1012-L1092 HydrophobicContact CG1-CD1 4.27Å; V1012-L1092 HydrophobicContact CG2-CD1 4.29Å; V1012-L1092 HydrophobicContact CG2-CD2 4.25Å; V1045-L1092 HydrophobicContact CG2-CD2 4.26Å; V1088-L1092 WeakPolarHBondContact O-CG 3.43Å; V1088-L1092 PolarHBondContact O-N 3.05Å; D1090-L1092 VanDerWaalsContact C-N 3.32Å; D1090-L1092 PolarHBondContact O-N 3.07Å; L1092-L1096 HydrophobicContact CD2-CD1 4.01Å; L1092-L1096 CarbonylContact O-C 3.5Å; L1092-A1097 PolarHBondContact O-N 2.89Å; L1092-A1097 VanDerWaalsContact O-N 3.15Å; L1092-V1100 HydrophobicContact CD2-CG2 3.84Å; L1092-M1111 HydrophobicContact CD1-CE 3.84Å; L1092-M1111 HydrophobicContact CD2-CE 3.99Å; L1092-V1123 HydrophobicContact CD1-CB 4.43Å; L1092-V1123 HydrophobicContact CD1-CG1 3.72Å; L1092-V1123 HydrophobicContact CD1-CG2 4.15Å; L1092-I1130 HydrophobicContact CB-CD1 4.28Å; L1092-I1130 WeakPolarHBondContact O-CD1 3.37Å
1093	R	95	Very high	94.5	Very high	125 Å²	125	49.5 Å²	49.5	47%	0.472	25%	0.253	S	S	.	.	H	α-helix	trans	-75.8	-35.8	-178.9	-173	178.9	66.1	-107.1	-0.8	113.4	Q1089 D1090 I1091 T1126	Q1089-R1093 WeakPolarHBondContact O-CB 3.49Å; Q1089-R1093 PolarHBondContact O-N 3.32Å; D1090-R1093 WeakPolarHBondContact O-CB 3.31Å; D1090-R1093 PolarHBondContact O-N 2.91Å; D1090-R1093 IonicContact OD1-CZ 2.81Å; D1090-R1093 VanDerWaalsContact OD1-CZ 3.24Å; D1090-R1093 IonicContact OD1-NH1 3.6Å; D1090-R1093 PolarHBondContact OD1-NH1 2.85Å; D1090-R1093 IonicContact OD1-NH2 3.72Å; D1090-R1093 PolarHBondContact OD1-NH2 3.5Å; I1091-R1093 VanDerWaalsContact C-N 3.25Å; I1091-R1093 PolarHBondContact O-N 2.89Å; R1093-T1126 HydrophobicContact CB-CG2 3.9Å
1094	T	93.6	Very high	95	Very high	97 Å²	97	44.6 Å²	44.6	60%	0.595	23%	0.226	S	C	*	.	H	α-helix	trans	-102.1	-22.5	-170.9	57.5	0	0	0	0	115	D1090 I1091	D1090-T1094 PolarHBondContact O-N 3.03Å; D1090-T1094 PolarHBondContact O-OG1 3.01Å; I1091-T1094 PolarHBondContact O-N 3.28Å
1095	E	95.1	Very high	95	Very high	87 Å²	87	42.2 Å²	42.2	41%	0.407	21%	0.211	S	C	.	.	H	α-helix	trans	-125.1	-10.3	-173.4	-65.5	-178.2	-120.5	0	0	114.5	R1072 L1074 I1091	R1072-E1095 PolarHBondContact NH1-O 2.87Å; R1072-E1095 PolarHBondContact NH2-O 3.17Å; L1074-E1095 HydrophobicContact CD1-CB 4.09Å; I1091-E1095 VanDerWaalsContact CD1-OE1 3.26Å; I1091-E1095 WeakPolarHBondContact CD1-OE1 3.41Å; I1091-E1095 HydrophobicContact CG2-CB 4.33Å; I1091-E1095 PolarHBondContact O-N 2.92Å
1096	L	96.2	Very high	95	Very high	2 Å²	2	42.4 Å²	42.4	1%	0.01	22%	0.217	C	C	.	.	S	Bend	trans	-135.6	3.4	-171.1	-71.1	173	0	0	0	115.2	T1043 V1045 R1072 L1074 I1091 L1092 A1098 E1099 V1100	T1043-L1096 HydrophobicContact CG2-CD1 4.12Å; T1043-L1096 HydrophobicContact CG2-CD2 3.96Å; V1045-L1096 HydrophobicContact CG2-CD1 3.38Å; R1072-L1096 VanDerWaalsContact NH1-CD2 3.31Å; L1074-L1096 HydrophobicContact CD1-CD1 3.79Å; L1074-L1096 HydrophobicContact CD1-CD2 4.16Å; L1074-L1096 HydrophobicContact CD1-CG 3.81Å; I1091-L1096 HydrophobicContact CG2-CD1 4.4Å; L1092-L1096 HydrophobicContact CD2-CD1 4.01Å; L1092-L1096 CarbonylContact O-C 3.5Å; L1096-A1098 PolarHBondContact O-N 3.46Å; L1096-E1099 HydrophobicContact CD2-CB 3.99Å; L1096-E1099 VanDerWaalsContact CD2-CD 3.47Å; L1096-E1099 HydrophobicContact CD2-CG 4.21Å; L1096-E1099 WeakPolarHBondContact CD2-OE2 3.23Å; L1096-E1099 CarbonylContact O-C 3.21Å; L1096-E1099 WeakPolarHBondContact O-CA 3.41Å; L1096-E1099 WeakPolarHBondContact O-CB 3.28Å; L1096-E1099 PolarHBondContact O-N 2.83Å; L1096-V1100 HydrophobicContact CB-CG2 4.22Å; L1096-V1100 WeakPolarHBondContact O-CG2 3.47Å; L1096-V1100 PolarHBondContact O-N 2.84Å
1097	A	95.6	Very high	94.9	Very high	16 Å²	16	44.2 Å²	44.2	13%	0.132	22%	0.223	C	C	.	.	H	α-helix	trans	-52.1	-57.8	-173.4	0	0	0	0	0	113.2	L1092 E1099 V1100 H1101 I1130 E1134	L1092-A1097 PolarHBondContact O-N 2.89Å; L1092-A1097 VanDerWaalsContact O-N 3.15Å; A1097-E1099 VanDerWaalsContact C-N 3.27Å; A1097-E1099 PolarHBondContact O-N 2.79Å; A1097-V1100 PolarHBondContact O-N 3.01Å; A1097-H1101 PolarHBondContact O-N 3.06Å; A1097-I1130 HydrophobicContact CB-CG1 4.12Å; A1097-I1130 HydrophobicContact CB-CG2 4.1Å; A1097-I1130 WeakPolarHBondContact O-CG2 3.32Å; A1097-E1134 HydrophobicContact CB-CG 4.22Å; A1097-E1134 WeakPolarHBondContact CB-OE1 3.46Å
1098	A	94.7	Very high	94.8	Very high	58 Å²	58	48.9 Å²	48.9	48%	0.479	24%	0.24	S	C	.	.	H	α-helix	trans	-61.4	-29.7	174.6	0	0	0	0	0	113.9	L1096 R1102 E1134	L1096-A1098 PolarHBondContact O-N 3.46Å; A1098-R1102 WeakPolarHBondContact O-CB 3.43Å; A1098-R1102 PolarHBondContact O-N 3.04Å; A1098-E1134 WeakPolarHBondContact CA-OE2 3.06Å; A1098-E1134 WeakPolarHBondContact CB-OE2 3.35Å
1099	E	94.9	Very high	94.8	Very high	26 Å²	26	48.8 Å²	48.8	12%	0.121	24%	0.24	C	C	.	.	H	α-helix	trans	-72.7	-42.6	177	-169.4	174.7	135	0	0	111.5	T1043 R1072 L1096 A1097 R1102 V1103	T1043-E1099 WeakPolarHBondContact CB-OE1 3.3Å; T1043-E1099 PolarHBondContact OG1-OE1 3.26Å; R1072-E1099 VanDerWaalsContact CD-OE2 3.23Å; R1072-E1099 WeakPolarHBondContact CD-OE2 3.34Å; R1072-E1099 IonicContact CZ-OE2 3.56Å; R1072-E1099 IonicContact NE-OE2 2.93Å; R1072-E1099 IonicContact NH1-OE2 3Å; R1072-E1099 PolarHBondContact NH1-OE2 2.95Å; L1096-E1099 HydrophobicContact CD2-CB 3.99Å; L1096-E1099 VanDerWaalsContact CD2-CD 3.47Å; L1096-E1099 HydrophobicContact CD2-CG 4.21Å; L1096-E1099 WeakPolarHBondContact CD2-OE2 3.23Å; L1096-E1099 CarbonylContact O-C 3.21Å; L1096-E1099 WeakPolarHBondContact O-CA 3.41Å; L1096-E1099 WeakPolarHBondContact O-CB 3.28Å; L1096-E1099 PolarHBondContact O-N 2.83Å; A1097-E1099 VanDerWaalsContact C-N 3.27Å; A1097-E1099 PolarHBondContact O-N 2.79Å; E1099-R1102 PolarHBondContact O-N 2.77Å; E1099-V1103 HydrophobicContact CG-CG2 4.39Å; E1099-V1103 WeakPolarHBondContact O-CB 3.47Å; E1099-V1103 VanDerWaalsContact O-CG2 3.25Å; E1099-V1103 WeakPolarHBondContact O-CG2 3.36Å; E1099-V1103 PolarHBondContact O-N 2.83Å
1100	V	96.4	Very high	94.9	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-61.3	-46	174.3	168.5	0	0	0	0	110.4	I1010 L1092 L1096 A1097 L1104 V1127 I1130	I1010-V1100 HydrophobicContact CD1-CB 4.45Å; I1010-V1100 HydrophobicContact CD1-CG2 3.89Å; L1092-V1100 HydrophobicContact CD2-CG2 3.84Å; L1096-V1100 HydrophobicContact CB-CG2 4.22Å; L1096-V1100 WeakPolarHBondContact O-CG2 3.47Å; L1096-V1100 PolarHBondContact O-N 2.84Å; A1097-V1100 PolarHBondContact O-N 3.01Å; V1100-L1104 HydrophobicContact CG1-CD1 3.93Å; V1100-L1104 WeakPolarHBondContact O-CB 3.11Å; V1100-L1104 WeakPolarHBondContact O-CG 3.31Å; V1100-L1104 PolarHBondContact O-N 3.07Å; V1100-V1127 HydrophobicContact CG1-CG1 4.08Å; V1100-V1127 HydrophobicContact CG1-CG2 4.4Å; V1100-I1130 HydrophobicContact CB-CG2 4.1Å; V1100-I1130 HydrophobicContact CG1-CG2 4.01Å
1101	H	95.9	Very high	95	Very high	30 Å²	30	47 Å²	47	14%	0.139	23%	0.23	C	C	.	.	H	α-helix	trans	-62	-50.2	175.9	177.1	-139.6	0	0	0	111.7	A1097 V1103 L1104 C1105 L1131 E1134	A1097-H1101 PolarHBondContact O-N 3.06Å; H1101-V1103 PolarHBondContact O-N 3.1Å; H1101-L1104 PolarHBondContact O-N 2.78Å; H1101-C1105 WeakPolarHBondContact O-CB 3.37Å; H1101-C1105 PolarHBondContact O-N 3.12Å; H1101-L1131 HydrophobicContact CB-CD2 4.34Å; H1101-E1134 HydrophobicContact CB-CB 3.59Å; H1101-E1134 HydrophobicContact CB-CG 4.17Å; H1101-E1134 PolarHBondContact CE1-O 3.4Å; H1101-E1134 WeakPolarHBondContact ND1-CB 3.3Å; H1101-E1134 PolarHBondContact ND1-O 2.56Å; H1101-E1134 VanDerWaalsContact ND1-O 3.08Å
1102	R	95.9	Very high	95.1	Very high	104 Å²	104	46.6 Å²	46.6	39%	0.392	23%	0.228	S	C	.	.	I	π-helix	trans	-55.7	-49.9	177.2	179.7	-176.9	65.5	115.2	-0.1	112.1	A1098 E1099 L1106 E1107	A1098-R1102 WeakPolarHBondContact O-CB 3.43Å; A1098-R1102 PolarHBondContact O-N 3.04Å; E1099-R1102 PolarHBondContact O-N 2.77Å; R1102-L1106 HydrophobicContact CG-CD1 4.47Å; R1102-L1106 WeakPolarHBondContact O-CA 3.31Å; R1102-L1106 WeakPolarHBondContact O-CB 3.41Å; R1102-L1106 PolarHBondContact O-N 3.26Å; R1102-E1107 VanDerWaalsContact CD-OE1 3.28Å; R1102-E1107 WeakPolarHBondContact CD-OE1 3.38Å; R1102-E1107 VanDerWaalsContact CG-CD 3.48Å; R1102-E1107 HydrophobicContact CG-CG 3.89Å; R1102-E1107 IonicContact CZ-OE1 3.65Å; R1102-E1107 IonicContact CZ-OE2 3.43Å; R1102-E1107 VanDerWaalsContact CZ-OE2 3.3Å; R1102-E1107 IonicContact NE-OE1 2.68Å; R1102-E1107 IonicContact NE-OE2 3.28Å; R1102-E1107 IonicContact NH1-OE1 3.83Å; R1102-E1107 PolarHBondContact NH1-OE1 2.8Å; R1102-E1107 IonicContact NH1-OE2 3.34Å; R1102-E1107 PolarHBondContact NH1-OE2 2.97Å; R1102-E1107 IonicContact NH2-OE2 2.77Å; R1102-E1107 PolarHBondContact O-N 2.71Å
1103	V	95.9	Very high	95.1	Very high	2 Å²	2	46.6 Å²	46.6	1%	0.012	23%	0.228	C	C	.	.	I	π-helix	trans	-64.4	-45.7	-178	167.6	0	0	0	0	111.5	P1008 I1010 E1099 H1101 G1109	P1008-V1103 HydrophobicContact CB-CG1 4.46Å; P1008-V1103 HydrophobicContact CB-CG2 4.11Å; P1008-V1103 HydrophobicContact CG-CG1 4.29Å; P1008-V1103 HydrophobicContact CG-CG2 4.15Å; I1010-V1103 HydrophobicContact CD1-CB 3.93Å; I1010-V1103 HydrophobicContact CD1-CG1 4.01Å; I1010-V1103 HydrophobicContact CD1-CG2 4.05Å; I1010-V1103 HydrophobicContact CG1-CG1 4.2Å; I1010-V1103 HydrophobicContact CG1-CG2 4.4Å; E1099-V1103 HydrophobicContact CG-CG2 4.39Å; E1099-V1103 WeakPolarHBondContact O-CB 3.47Å; E1099-V1103 VanDerWaalsContact O-CG2 3.25Å; E1099-V1103 WeakPolarHBondContact O-CG2 3.36Å; E1099-V1103 PolarHBondContact O-N 2.83Å; H1101-V1103 PolarHBondContact O-N 3.1Å; V1103-G1109 WeakPolarHBondContact O-CA 3.48Å; V1103-G1109 PolarHBondContact O-N 3.29Å
1104	L	94.9	Very high	95.1	Very high	2 Å²	2	40.6 Å²	40.6	1%	0.01	21%	0.206	C	C	.	.	I	π-helix	trans	-80.5	-37.8	-174.3	-69	-179.9	0	0	0	114	V1100 H1101 M1111 V1127 L1149 R1154	V1100-L1104 HydrophobicContact CG1-CD1 3.93Å; V1100-L1104 WeakPolarHBondContact O-CB 3.11Å; V1100-L1104 WeakPolarHBondContact O-CG 3.31Å; V1100-L1104 PolarHBondContact O-N 3.07Å; H1101-L1104 PolarHBondContact O-N 2.78Å; L1104-M1111 HydrophobicContact CD1-SD 4.19Å; L1104-M1111 HydrophobicContact CD2-CB 3.86Å; L1104-V1127 HydrophobicContact CD1-CG1 3.82Å; L1104-L1149 HydrophobicContact CB-CD1 4.04Å; L1104-L1149 HydrophobicContact CD1-CD1 4.2Å; L1104-L1149 HydrophobicContact CD2-CD1 4.23Å; L1104-L1149 HydrophobicContact CG-CD1 4.4Å; L1104-R1154 PolarHBondContact O-NH2 3.19Å
1105	C	90.9	Very high	95	Very high	49 Å²	49	36.1 Å²	36.1	33%	0.331	18%	0.179	S	C	.	.	I	π-helix	trans	-101.2	-31.9	-173.5	-66.9	0	0	0	0	114	H1101	H1101-C1105 WeakPolarHBondContact O-CB 3.37Å; H1101-C1105 PolarHBondContact O-N 3.12Å
1106	L	92	Very high	94.6	Very high	120 Å²	120	32.2 Å²	32.2	63%	0.628	16%	0.16	S	C	*	.	I	π-helix	trans	-104.5	-50.5	-172.7	-50.4	-179.3	0	0	0	112.7	R1102 R1108	R1102-L1106 HydrophobicContact CG-CD1 4.47Å; R1102-L1106 WeakPolarHBondContact O-CA 3.31Å; R1102-L1106 WeakPolarHBondContact O-CB 3.41Å; R1102-L1106 PolarHBondContact O-N 3.26Å; L1106-R1108 VanDerWaalsContact C-N 3.32Å; L1106-R1108 PolarHBondContact O-N 3.28Å
1107	E	92.1	Very high	93.9	Very high	73 Å²	73	32.2 Å²	32.2	34%	0.341	16%	0.161	S	C	.	.	S	Bend	trans	-90	5	-171	-64.1	179.6	162.2	0	0	113.7	P1008 R1102 G1109	P1008-E1107 HydrophobicContact CG-CB 3.97Å; R1102-E1107 VanDerWaalsContact CD-OE1 3.28Å; R1102-E1107 WeakPolarHBondContact CD-OE1 3.38Å; R1102-E1107 VanDerWaalsContact CG-CD 3.48Å; R1102-E1107 HydrophobicContact CG-CG 3.89Å; R1102-E1107 IonicContact CZ-OE1 3.65Å; R1102-E1107 IonicContact CZ-OE2 3.43Å; R1102-E1107 VanDerWaalsContact CZ-OE2 3.3Å; R1102-E1107 IonicContact NE-OE1 2.68Å; R1102-E1107 IonicContact NE-OE2 3.28Å; R1102-E1107 IonicContact NH1-OE1 3.83Å; R1102-E1107 PolarHBondContact NH1-OE1 2.8Å; R1102-E1107 IonicContact NH1-OE2 3.34Å; R1102-E1107 PolarHBondContact NH1-OE2 2.97Å; R1102-E1107 IonicContact NH2-OE2 2.77Å; R1102-E1107 PolarHBondContact O-N 2.71Å; E1107-G1109 PolarHBondContact O-N 2.94Å
1108	R	92.8	Very high	93.4	Very high	170 Å²	170	33.3 Å²	33.3	64%	0.642	17%	0.166	S	C	*	.			trans	52.8	20.4	-176	-61.2	-172.9	65.1	-160.2	-4	114.8	L1106 R1154	L1106-R1108 VanDerWaalsContact C-N 3.32Å; L1106-R1108 PolarHBondContact O-N 3.28Å; R1108-R1154 VanDerWaalsContact CA-NH2 3.34Å; R1108-R1154 PolarHBondContact O-NE 2.81Å; R1108-R1154 PolarHBondContact O-NH2 3.21Å
1109	G	95.4	Very high	93.2	Very high	0 Å²	0	31 Å²	31	0%	0	15%	0.145	C	C	.	.			trans	-70.5	-176.5	179.5	0	0	0	0	0	114.3	P1008 V1103 E1107 R1154	P1008-G1109 CarbonylContact O-C 3.47Å; P1008-G1109 VanDerWaalsContact O-CA 3.24Å; P1008-G1109 WeakPolarHBondContact O-CA 3.24Å; V1103-G1109 WeakPolarHBondContact O-CA 3.48Å; V1103-G1109 PolarHBondContact O-N 3.29Å; E1107-G1109 PolarHBondContact O-N 2.94Å; G1109-R1154 PolarHBondContact O-NE 3.17Å; G1109-R1154 PolarHBondContact O-NH2 3.17Å
1110	H	97.6	Very high	92.9	Very high	17 Å²	17	30 Å²	30	8%	0.079	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	148.2	-169	-68.8	-116.7	0	0	0	111.8	P1008 C1009 I1010 F1112 Q1153 R1154 H1156	P1008-H1110 PolarHBondContact O-N 3.2Å; C1009-H1110 WeakPolarHBondContact CA-O 3.36Å; I1010-H1110 PolarHBondContact N-O 3.37Å; H1110-F1112 HydrophobicContact CB-CD2 4.37Å; H1110-F1112 HydrophobicContact CB-CE2 3.66Å; H1110-F1112 HydrophobicContact CB-CZ 4.29Å; H1110-Q1153 PolarHBondContact CE1-O 3.16Å; H1110-Q1153 PolarHBondContact ND1-O 2.81Å; H1110-R1154 CarbonylContact C-O 3.41Å; H1110-R1154 VanDerWaalsContact CA-O 3.31Å; H1110-R1154 WeakPolarHBondContact CA-O 3.49Å; H1110-H1156 AromaticContact CE1-NE2 3.92Å; H1110-H1156 AromaticContact CG-NE2 3.78Å; H1110-H1156 AromaticContact ND1-CE1 3.73Å; H1110-H1156 AromaticContact ND1-NE2 2.9Å; H1110-H1156 PolarHBondContact ND1-NE2 3.46Å
1111	M	97.7	Very high	92.3	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	129.2	172.1	-176.4	174.5	-173.1	0	0	110.6	I1010 V1012 L1092 L1104 V1113 V1123 V1127 R1154 Y1155 H1156	I1010-M1111 HydrophobicContact CB-CG 4.31Å; I1010-M1111 HydrophobicContact CG2-CG 4.42Å; I1010-M1111 CarbonylContact O-C 3.08Å; I1010-M1111 WeakPolarHBondContact O-CA 3.48Å; V1012-M1111 HydrophobicContact CG2-CE 3.59Å; L1092-M1111 HydrophobicContact CD1-CE 3.84Å; L1092-M1111 HydrophobicContact CD2-CE 3.99Å; L1104-M1111 HydrophobicContact CD1-SD 4.19Å; L1104-M1111 HydrophobicContact CD2-CB 3.86Å; M1111-V1113 HydrophobicContact CE-CG2 4.28Å; M1111-V1113 HydrophobicContact CG-CG2 4.44Å; M1111-V1123 HydrophobicContact CE-CG1 3.87Å; M1111-V1127 HydrophobicContact CE-CG2 3.62Å; M1111-V1127 HydrophobicContact SD-CG2 3.72Å; M1111-R1154 PolarHBondContact N-O 3.21Å; M1111-Y1155 HydrophobicContact CB-CD2 4.2Å; M1111-Y1155 HydrophobicContact CG-CD2 4.45Å; M1111-Y1155 HydrophobicContact CG-CE2 4.28Å; M1111-Y1155 WeakPolarHBondContact O-CA 3.42Å; M1111-Y1155 HydrophobicContact SD-CD2 4.24Å; M1111-Y1155 HydrophobicContact SD-CE2 3.7Å; M1111-H1156 PolarHBondContact O-CD2 2.93Å; M1111-H1156 PolarHBondContact O-N 2.99Å
1112	F	97.9	Very high	92.1	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	128.7	-178.4	-62.8	-100.3	0	0	0	110.3	F999 R1000 C1009 I1010 L1011 V1012 F1021 F1024 H1110 H1156	F999-F1112 HydrophobicContact CD1-CD1 4.4Å; F999-F1112 HydrophobicContact CD2-CD1 4.2Å; F999-F1112 HydrophobicContact CE1-CD1 4.17Å; F999-F1112 HydrophobicContact CE2-CB 4.09Å; F999-F1112 AromaticContact CE2-CD1 3.99Å; F999-F1112 HydrophobicContact CE2-CD1 3.99Å; F999-F1112 HydrophobicContact CG-CD1 4.4Å; F999-F1112 HydrophobicContact CZ-CB 3.81Å; F999-F1112 AromaticContact CZ-CD1 3.97Å; F999-F1112 HydrophobicContact CZ-CD1 3.97Å; F999-F1112 HydrophobicContact CZ-CG 4.4Å; R1000-F1112 VanDerWaalsContact O-CE1 3.27Å; R1000-F1112 WeakPolarHBondContact O-CE1 3.43Å; R1000-F1112 VanDerWaalsContact O-CZ 3.3Å; R1000-F1112 WeakPolarHBondContact O-CZ 3.48Å; C1009-F1112 HydrophobicContact CB-CE2 4.34Å; I1010-F1112 PolarHBondContact O-N 3.2Å; L1011-F1112 HydrophobicContact CD2-CB 3.95Å; L1011-F1112 HydrophobicContact CD2-CD2 3.54Å; L1011-F1112 HydrophobicContact CD2-CE2 4.32Å; L1011-F1112 HydrophobicContact CD2-CG 3.97Å; V1012-F1112 PolarHBondContact N-O 3.43Å; F1021-F1112 HydrophobicContact CE1-CB 3.61Å; F1021-F1112 HydrophobicContact CE1-CG 4.45Å; F1021-F1112 HydrophobicContact CZ-CB 3.96Å; F1024-F1112 AromaticContact CE2-CD1 3.6Å; F1024-F1112 HydrophobicContact CE2-CD1 3.6Å; F1024-F1112 HydrophobicContact CE2-CD2 4.21Å; F1024-F1112 AromaticContact CE2-CE1 3.63Å; F1024-F1112 HydrophobicContact CE2-CE1 3.63Å; F1024-F1112 HydrophobicContact CE2-CE2 4.23Å; F1024-F1112 AromaticContact CE2-CG 3.91Å; F1024-F1112 HydrophobicContact CE2-CG 3.91Å; F1024-F1112 AromaticContact CE2-CZ 3.96Å; F1024-F1112 HydrophobicContact CE2-CZ 3.96Å; F1024-F1112 AromaticContact CZ-CD1 3.89Å; F1024-F1112 HydrophobicContact CZ-CD1 3.89Å; F1024-F1112 AromaticContact CZ-CE1 3.75Å; F1024-F1112 HydrophobicContact CZ-CE1 3.75Å; F1024-F1112 HydrophobicContact CZ-CZ 4.37Å; H1110-F1112 HydrophobicContact CB-CD2 4.37Å; H1110-F1112 HydrophobicContact CB-CE2 3.66Å; H1110-F1112 HydrophobicContact CB-CZ 4.29Å; F1112-H1156 HydrophobicContact CB-CB 4.46Å; F1112-H1156 HydrophobicContact CD1-CB 3.47Å; F1112-H1156 VanDerWaalsContact CD1-CB 3.47Å; F1112-H1156 AromaticContact CD1-CD2 3.59Å; F1112-H1156 AromaticContact CD1-CG 3.57Å; F1112-H1156 HydrophobicContact CE1-CB 3.9Å; F1112-H1156 AromaticContact CE1-CD2 3.36Å; F1112-H1156 WeakPolarHBondContact CE1-CD2 3.34Å; F1112-H1156 AromaticContact CE1-CE1 3.92Å; F1112-H1156 AromaticContact CE1-CG 3.47Å; F1112-H1156 VanDerWaalsContact CE1-CG 3.47Å; F1112-H1156 AromaticContact CE1-ND1 3.83Å; F1112-H1156 AromaticContact CE1-NE2 3.69Å; F1112-H1156 AromaticContact CE2-CD2 3.82Å; F1112-H1156 HydrophobicContact CG-CB 4.08Å; F1112-H1156 AromaticContact CG-CD2 3.9Å; F1112-H1156 AromaticContact CZ-CD2 3.48Å; F1112-H1156 VanDerWaalsContact CZ-CD2 3.48Å; F1112-H1156 WeakPolarHBondContact CZ-CD2 3.21Å; F1112-H1156 AromaticContact CZ-NE2 3.49Å; F1112-H1156 WeakPolarHBondContact CZ-NE2 3.29Å
1113	V	96.8	Very high	92	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	118.5	-179.3	-173.8	0	0	0	0	109.1	V1012 M1111 M1119 A1120 V1123 Y1155 H1156 E1157 D1158	V1012-V1113 HydrophobicContact CB-CG2 4.46Å; V1012-V1113 CarbonylContact O-C 3.38Å; V1012-V1113 WeakPolarHBondContact O-CA 3.23Å; M1111-V1113 HydrophobicContact CE-CG2 4.28Å; M1111-V1113 HydrophobicContact CG-CG2 4.44Å; V1113-M1119 HydrophobicContact CG1-CE 3.9Å; V1113-M1119 HydrophobicContact CG1-SD 4.24Å; V1113-A1120 HydrophobicContact CG1-CB 3.9Å; V1113-V1123 HydrophobicContact CG1-CB 4.28Å; V1113-V1123 HydrophobicContact CG1-CG1 4.13Å; V1113-V1123 HydrophobicContact CG2-CG1 3.79Å; V1113-Y1155 HydrophobicContact CG2-CE1 4.4Å; V1113-H1156 PolarHBondContact N-O 2.8Å; V1113-E1157 HydrophobicContact CB-CG 4.37Å; V1113-E1157 CarbonylContact O-C 3.54Å; V1113-E1157 WeakPolarHBondContact O-CA 3.4Å; V1113-D1158 PolarHBondContact O-N 3.36Å
1114	C	95.1	Very high	91.7	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	135.6	-176.2	-179.5	0	0	0	0	112.2	F999 V1012 G1013 G1017 P1020 F1021 M1119 D1158 F1160	F999-C1114 HydrophobicContact CE1-CB 4.48Å; F999-C1114 HydrophobicContact CZ-CB 3.9Å; V1012-C1114 PolarHBondContact O-N 3.24Å; G1013-C1114 WeakPolarHBondContact CA-O 3.49Å; G1017-C1114 WeakPolarHBondContact CA-O 3.49Å; G1017-C1114 VanDerWaalsContact O-CB 3.3Å; G1017-C1114 WeakPolarHBondContact O-CB 3.36Å; G1017-C1114 PolarHBondContact O-SG 3.46Å; G1017-C1114 VanDerWaalsContact O-SG 3.39Å; P1020-C1114 VanDerWaalsContact CD-SG 3.59Å; P1020-C1114 HydrophobicContact CG-CB 4.09Å; P1020-C1114 VanDerWaalsContact CG-SG 3.56Å; F1021-C1114 HydrophobicContact CE2-CB 4.13Å; F1021-C1114 HydrophobicContact CZ-CB 3.83Å; C1114-M1119 WeakPolarHBondContact O-CE 3.41Å; C1114-D1158 CarbonylContact C-O 3.58Å; C1114-D1158 WeakPolarHBondContact CA-O 3.42Å; C1114-D1158 HydrophobicContact CB-CB 4.21Å; C1114-D1158 PolarHBondContact SG-OD2 3.01Å; C1114-D1158 VanDerWaalsContact SG-OD2 3.33Å; C1114-F1160 WeakPolarHBondContact SG-CZ 3.38Å
1115	G	90.4	Very high	91.5	Very high	3 Å²	3	31.9 Å²	31.9	3%	0.031	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	129.7	-132	171	0	0	0	0	0	114.7	D1158 I1159 F1160	G1115-D1158 PolarHBondContact N-O 3.32Å; G1115-I1159 WeakPolarHBondContact O-CA 3.42Å; G1115-F1160 PolarHBondContact O-N 2.96Å
1116	D	87.6	Confident	91.7	Very high	4 Å²	4	29.8 Å²	29.8	2%	0.021	14%	0.144	C	C	.	.			trans	-71.7	140.9	-172.7	-177.6	-95.9	0	0	0	113.6	T1118 M1119 A1120 G1161 T1163 L1164	D1116-T1118 VanDerWaalsContact C-N 3.31Å; D1116-T1118 PolarHBondContact O-N 2.72Å; D1116-T1118 VanDerWaalsContact OD1-CA 3.32Å; D1116-T1118 WeakPolarHBondContact OD1-CA 3.24Å; D1116-T1118 WeakPolarHBondContact OD1-CB 3.3Å; D1116-T1118 PolarHBondContact OD1-N 3.4Å; D1116-T1118 PolarHBondContact OD1-OG1 3.03Å; D1116-M1119 HydrophobicContact CB-CB 3.99Å; D1116-M1119 WeakPolarHBondContact O-CB 3.29Å; D1116-M1119 PolarHBondContact O-N 3.44Å; D1116-M1119 VanDerWaalsContact O-N 3.1Å; D1116-M1119 PolarHBondContact OD1-N 3.13Å; D1116-A1120 PolarHBondContact O-N 3.18Å; D1116-G1161 WeakPolarHBondContact CA-O 3.41Å; D1116-T1163 PolarHBondContact OD2-N 3.47Å; D1116-T1163 PolarHBondContact OD2-OG1 3.48Å; D1116-L1164 HydrophobicContact CB-CB 4.09Å; D1116-L1164 HydrophobicContact CB-CD1 3.7Å; D1116-L1164 HydrophobicContact CB-CG 3.75Å; D1116-L1164 PolarHBondContact OD2-N 3.5Å
1117	V	82.1	Confident	91.9	Very high	2 Å²	2	24.1 Å²	24.1	1%	0.012	11%	0.114	C	C	.	.	H	α-helix	trans	-60.7	-35.8	-179.7	66.1	0	0	0	0	113.5	A656 Y657 T1121 I1159 G1161 L1162	A656-V1117 HydrophobicContact CB-CG1 4.37Å; A656-V1117 WeakPolarHBondContact O-CG2 3.37Å; Y657-V1117 HydrophobicContact CD1-CB 4.47Å; Y657-V1117 HydrophobicContact CD1-CG2 3.63Å; Y657-V1117 HydrophobicContact CE1-CB 4.43Å; Y657-V1117 HydrophobicContact CE1-CG2 4.06Å; Y657-V1117 HydrophobicContact CG-CG2 4.04Å; V1117-T1121 WeakPolarHBondContact O-CB 3.35Å; V1117-T1121 PolarHBondContact O-N 2.94Å; V1117-T1121 PolarHBondContact O-OG1 3.11Å; V1117-I1159 HydrophobicContact CB-CG2 3.71Å; V1117-I1159 HydrophobicContact CG2-CG2 4.05Å; V1117-G1161 PolarHBondContact N-O 3.02Å; V1117-L1162 HydrophobicContact CG1-CD2 3.73Å; V1117-L1162 HydrophobicContact CG1-CG 4.08Å
1118	T	84	Confident	91.9	Very high	39 Å²	39	21.1 Å²	21.1	24%	0.239	10%	0.1	C	C	.	.	H	α-helix	trans	-68.8	-39.9	175.9	-26.2	0	0	0	0	110.8	D1116 N1122	D1116-T1118 VanDerWaalsContact C-N 3.31Å; D1116-T1118 PolarHBondContact O-N 2.72Å; D1116-T1118 VanDerWaalsContact OD1-CA 3.32Å; D1116-T1118 WeakPolarHBondContact OD1-CA 3.24Å; D1116-T1118 WeakPolarHBondContact OD1-CB 3.3Å; D1116-T1118 PolarHBondContact OD1-N 3.4Å; D1116-T1118 PolarHBondContact OD1-OG1 3.03Å; T1118-N1122 PolarHBondContact O-N 3.41Å; T1118-N1122 VanDerWaalsContact O-N 3.08Å; T1118-N1122 PolarHBondContact O-ND2 2.78Å
1119	M	91.4	Very high	92	Very high	11 Å²	11	19.5 Å²	19.5	5%	0.054	9%	0.094	C	C	.	.	H	α-helix	trans	-63.8	-50.9	176.9	-178.7	-74.1	-55.8	0	0	110.7	P1014 V1088 V1113 C1114 D1116 T1121 N1122 V1123	P1014-M1119 HydrophobicContact CG-CG 3.64Å; P1014-M1119 HydrophobicContact CG-SD 4.17Å; V1088-M1119 HydrophobicContact CG2-CG 4.02Å; V1088-M1119 HydrophobicContact CG2-SD 3.76Å; V1113-M1119 HydrophobicContact CG1-CE 3.9Å; V1113-M1119 HydrophobicContact CG1-SD 4.24Å; C1114-M1119 WeakPolarHBondContact O-CE 3.41Å; D1116-M1119 HydrophobicContact CB-CB 3.99Å; D1116-M1119 WeakPolarHBondContact O-CB 3.29Å; D1116-M1119 PolarHBondContact O-N 3.44Å; D1116-M1119 VanDerWaalsContact O-N 3.1Å; D1116-M1119 PolarHBondContact OD1-N 3.13Å; M1119-T1121 VanDerWaalsContact C-N 3.32Å; M1119-T1121 PolarHBondContact O-N 2.76Å; M1119-N1122 PolarHBondContact O-N 3.39Å; M1119-N1122 VanDerWaalsContact O-N 3.12Å; M1119-V1123 WeakPolarHBondContact O-CG2 3.4Å; M1119-V1123 PolarHBondContact O-N 3.28Å; M1119-V1123 HydrophobicContact SD-CG2 3.66Å
1120	A	88.1	Confident	92	Very high	3 Å²	3	19.8 Å²	19.8	3%	0.025	10%	0.096	C	C	.	.	H	α-helix	trans	-61.5	-39.9	178.9	0	0	0	0	0	112.2	V1113 D1116 N1122 V1123 L1124 I1159	V1113-A1120 HydrophobicContact CG1-CB 3.9Å; D1116-A1120 PolarHBondContact O-N 3.18Å; A1120-N1122 VanDerWaalsContact C-N 3.34Å; A1120-N1122 PolarHBondContact O-N 2.95Å; A1120-V1123 PolarHBondContact O-N 3.31Å; A1120-L1124 VanDerWaalsContact O-CB 3.31Å; A1120-L1124 WeakPolarHBondContact O-CB 3.16Å; A1120-L1124 PolarHBondContact O-N 3.28Å; A1120-I1159 HydrophobicContact CB-CD1 3.34Å
1121	T	84.6	Confident	91.8	Very high	30 Å²	30	19 Å²	19	18%	0.184	9%	0.092	C	C	.	.	H	α-helix	trans	-60	-42.3	173.9	-56.6	0	0	0	0	112	P658 V1117 M1119 Q1125	P658-T1121 HydrophobicContact CG-CG2 4Å; P658-T1121 VanDerWaalsContact CG-OG1 3.31Å; P658-T1121 WeakPolarHBondContact CG-OG1 3.46Å; V1117-T1121 WeakPolarHBondContact O-CB 3.35Å; V1117-T1121 PolarHBondContact O-N 2.94Å; V1117-T1121 PolarHBondContact O-OG1 3.11Å; M1119-T1121 VanDerWaalsContact C-N 3.32Å; M1119-T1121 PolarHBondContact O-N 2.76Å; T1121-Q1125 WeakPolarHBondContact O-CG 3.42Å; T1121-Q1125 PolarHBondContact O-N 3.34Å; T1121-Q1125 VanDerWaalsContact O-N 3.08Å
1122	N	90	Very high	91.5	Very high	61 Å²	61	19.8 Å²	19.8	33%	0.326	10%	0.099	S	C	.	.	H	α-helix	trans	-70.6	-35.2	177.8	-67.6	-25	0	0	0	112.6	Q1089 T1118 M1119 A1120 T1126	Q1089-N1122 HydrophobicContact CG-CB 4.11Å; T1118-N1122 PolarHBondContact O-N 3.41Å; T1118-N1122 VanDerWaalsContact O-N 3.08Å; T1118-N1122 PolarHBondContact O-ND2 2.78Å; M1119-N1122 PolarHBondContact O-N 3.39Å; M1119-N1122 VanDerWaalsContact O-N 3.12Å; A1120-N1122 VanDerWaalsContact C-N 3.34Å; A1120-N1122 PolarHBondContact O-N 2.95Å; N1122-T1126 WeakPolarHBondContact O-CB 3.31Å; N1122-T1126 PolarHBondContact O-N 2.94Å; N1122-T1126 PolarHBondContact O-OG1 3.45Å
1123	V	94.3	Very high	91.3	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-63.9	-50.6	172.5	168	0	0	0	0	110	V1012 V1088 Q1089 L1092 M1111 V1113 M1119 A1120 Q1125 T1126 V1127	V1012-V1123 HydrophobicContact CG1-CG2 4.07Å; V1088-V1123 HydrophobicContact CG2-CG2 3.88Å; Q1089-V1123 HydrophobicContact CB-CG2 4.14Å; L1092-V1123 HydrophobicContact CD1-CB 4.43Å; L1092-V1123 HydrophobicContact CD1-CG1 3.72Å; L1092-V1123 HydrophobicContact CD1-CG2 4.15Å; M1111-V1123 HydrophobicContact CE-CG1 3.87Å; V1113-V1123 HydrophobicContact CG1-CB 4.28Å; V1113-V1123 HydrophobicContact CG1-CG1 4.13Å; V1113-V1123 HydrophobicContact CG2-CG1 3.79Å; M1119-V1123 WeakPolarHBondContact O-CG2 3.4Å; M1119-V1123 PolarHBondContact O-N 3.28Å; M1119-V1123 HydrophobicContact SD-CG2 3.66Å; A1120-V1123 PolarHBondContact O-N 3.31Å; V1123-Q1125 PolarHBondContact O-N 3Å; V1123-T1126 CarbonylContact O-C 3.51Å; V1123-T1126 WeakPolarHBondContact O-CA 3.27Å; V1123-T1126 WeakPolarHBondContact O-CB 3.31Å; V1123-T1126 PolarHBondContact O-N 2.89Å; V1123-V1127 HydrophobicContact CG1-CG2 4.26Å; V1123-V1127 WeakPolarHBondContact O-CG2 3.39Å; V1123-V1127 PolarHBondContact O-N 2.96Å
1124	L	90.6	Very high	91.1	Very high	8 Å²	8	29 Å²	29	4%	0.042	15%	0.15	C	C	.	.	H	α-helix	trans	-53.8	-51.7	178.1	-178.2	71.5	0	0	0	112.4	I616 A1120 T1126 V1127 Q1128 I1146 R1150 Y1155	I616-L1124 HydrophobicContact CD1-CD1 4.28Å; I616-L1124 HydrophobicContact CD1-CD2 3.94Å; I616-L1124 HydrophobicContact CD1-CG 3.92Å; I616-L1124 HydrophobicContact CG1-CD2 4.49Å; A1120-L1124 VanDerWaalsContact O-CB 3.31Å; A1120-L1124 WeakPolarHBondContact O-CB 3.16Å; A1120-L1124 PolarHBondContact O-N 3.28Å; L1124-T1126 PolarHBondContact O-N 3.11Å; L1124-V1127 PolarHBondContact O-N 2.87Å; L1124-Q1128 WeakPolarHBondContact O-CB 3.09Å; L1124-Q1128 PolarHBondContact O-N 3.46Å; L1124-I1146 HydrophobicContact CD1-CG2 3.7Å; L1124-R1150 VanDerWaalsContact CD2-NH2 3.27Å; L1124-Y1155 HydrophobicContact CD1-CE1 3.97Å
1125	Q	89.8	Confident	90.8	Very high	79 Å²	79	30.1 Å²	30.1	37%	0.369	16%	0.161	S	C	.	.	H	α-helix	trans	-62.5	-25.9	176.4	-71.9	179.5	7.7	0	0	113.2	T1121 V1123 R1129	T1121-Q1125 WeakPolarHBondContact O-CG 3.42Å; T1121-Q1125 PolarHBondContact O-N 3.34Å; T1121-Q1125 VanDerWaalsContact O-N 3.08Å; V1123-Q1125 PolarHBondContact O-N 3Å; Q1125-R1129 WeakPolarHBondContact O-CG 3.32Å; Q1125-R1129 PolarHBondContact O-N 3.39Å
1126	T	95.5	Very high	90.7	Very high	6 Å²	6	37.8 Å²	37.8	4%	0.037	20%	0.201	C	C	.	.	H	α-helix	trans	-82	-41.3	177.6	-58.3	0	0	0	0	111.2	Q1089 R1093 N1122 V1123 L1124 Q1128 R1129 I1130	Q1089-T1126 HydrophobicContact CB-CG2 4.46Å; Q1089-T1126 WeakPolarHBondContact O-CG2 3.18Å; R1093-T1126 HydrophobicContact CB-CG2 3.9Å; N1122-T1126 WeakPolarHBondContact O-CB 3.31Å; N1122-T1126 PolarHBondContact O-N 2.94Å; N1122-T1126 PolarHBondContact O-OG1 3.45Å; V1123-T1126 CarbonylContact O-C 3.51Å; V1123-T1126 WeakPolarHBondContact O-CA 3.27Å; V1123-T1126 WeakPolarHBondContact O-CB 3.31Å; V1123-T1126 PolarHBondContact O-N 2.89Å; L1124-T1126 PolarHBondContact O-N 3.11Å; T1126-Q1128 VanDerWaalsContact C-N 3.32Å; T1126-Q1128 PolarHBondContact O-N 2.83Å; T1126-R1129 PolarHBondContact O-N 2.97Å; T1126-I1130 HydrophobicContact CG2-CD1 3.97Å; T1126-I1130 HydrophobicContact CG2-CG1 4.48Å; T1126-I1130 VanDerWaalsContact O-CG1 3.29Å; T1126-I1130 WeakPolarHBondContact O-CG1 3.36Å; T1126-I1130 PolarHBondContact O-N 3.44Å
1127	V	95.3	Very high	90.8	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-60.1	-43.3	171.9	177.2	0	0	0	0	110.3	V1100 L1104 M1111 V1123 L1124 R1129 I1130 L1131 I1146 Y1155	V1100-V1127 HydrophobicContact CG1-CG1 4.08Å; V1100-V1127 HydrophobicContact CG1-CG2 4.4Å; L1104-V1127 HydrophobicContact CD1-CG1 3.82Å; M1111-V1127 HydrophobicContact CE-CG2 3.62Å; M1111-V1127 HydrophobicContact SD-CG2 3.72Å; V1123-V1127 HydrophobicContact CG1-CG2 4.26Å; V1123-V1127 WeakPolarHBondContact O-CG2 3.39Å; V1123-V1127 PolarHBondContact O-N 2.96Å; L1124-V1127 PolarHBondContact O-N 2.87Å; V1127-R1129 VanDerWaalsContact C-N 3.32Å; V1127-R1129 PolarHBondContact O-N 3.26Å; V1127-I1130 WeakPolarHBondContact O-CB 3.36Å; V1127-I1130 PolarHBondContact O-N 2.69Å; V1127-I1130 VanDerWaalsContact O-N 3.13Å; V1127-L1131 HydrophobicContact CG1-CD1 4.19Å; V1127-L1131 HydrophobicContact CG1-CG 4.21Å; V1127-L1131 WeakPolarHBondContact O-CG 3.38Å; V1127-L1131 PolarHBondContact O-N 3.04Å; V1127-I1146 HydrophobicContact CB-CD1 4.39Å; V1127-I1146 HydrophobicContact CG1-CD1 4.02Å; V1127-I1146 HydrophobicContact CG1-CG1 4.46Å; V1127-Y1155 HydrophobicContact CB-CE2 4.47Å; V1127-Y1155 HydrophobicContact CG1-CE2 4.2Å; V1127-Y1155 HydrophobicContact CG2-CE2 4.3Å
1128	Q	92.8	Very high	91	Very high	10 Å²	10	46.4 Å²	46.4	5%	0.047	24%	0.242	C	C	.	.	H	α-helix	trans	-56.1	-44.2	175.1	-169.9	-177.9	10.8	0	0	112.4	L1124 T1126 A1132 L1139 A1142 I1146	L1124-Q1128 WeakPolarHBondContact O-CB 3.09Å; L1124-Q1128 PolarHBondContact O-N 3.46Å; T1126-Q1128 VanDerWaalsContact C-N 3.32Å; T1126-Q1128 PolarHBondContact O-N 2.83Å; Q1128-A1132 WeakPolarHBondContact O-CB 3.16Å; Q1128-A1132 PolarHBondContact O-N 2.64Å; Q1128-L1139 HydrophobicContact CG-CD1 4.04Å; Q1128-L1139 HydrophobicContact CG-CG 4.29Å; Q1128-L1139 PolarHBondContact NE2-O 3.01Å; Q1128-A1142 HydrophobicContact CG-CB 4.09Å; Q1128-A1142 WeakPolarHBondContact O-CB 3.28Å; Q1128-I1146 HydrophobicContact CB-CD1 3.85Å; Q1128-I1146 HydrophobicContact CG-CD1 4.43Å
1129	R	94.1	Very high	90.8	Very high	137 Å²	137	48.3 Å²	48.3	52%	0.517	25%	0.25	S	S	.	.	H	α-helix	trans	-68.8	-36.9	175.7	-70.7	172	-172.5	140.5	6.8	112.9	Q1125 T1126 V1127 T1133 L1139	Q1125-R1129 WeakPolarHBondContact O-CG 3.32Å; Q1125-R1129 PolarHBondContact O-N 3.39Å; T1126-R1129 PolarHBondContact O-N 2.97Å; V1127-R1129 VanDerWaalsContact C-N 3.32Å; V1127-R1129 PolarHBondContact O-N 3.26Å; R1129-T1133 WeakPolarHBondContact O-CB 3.49Å; R1129-T1133 PolarHBondContact O-N 2.82Å; R1129-T1133 PolarHBondContact O-OG1 3.03Å; R1129-L1139 HydrophobicContact CG-CD1 3.96Å
1130	I	96.2	Very high	90	Very high	6 Å²	6	52.4 Å²	52.4	3%	0.031	27%	0.272	C	S	.	.	H	α-helix	trans	-62.4	-49.5	175	-72.1	163.8	0	0	0	109.8	L1092 A1097 V1100 T1126 V1127 A1132 T1133 E1134	L1092-I1130 HydrophobicContact CB-CD1 4.28Å; L1092-I1130 WeakPolarHBondContact O-CD1 3.37Å; A1097-I1130 HydrophobicContact CB-CG1 4.12Å; A1097-I1130 HydrophobicContact CB-CG2 4.1Å; A1097-I1130 WeakPolarHBondContact O-CG2 3.32Å; V1100-I1130 HydrophobicContact CB-CG2 4.1Å; V1100-I1130 HydrophobicContact CG1-CG2 4.01Å; T1126-I1130 HydrophobicContact CG2-CD1 3.97Å; T1126-I1130 HydrophobicContact CG2-CG1 4.48Å; T1126-I1130 VanDerWaalsContact O-CG1 3.29Å; T1126-I1130 WeakPolarHBondContact O-CG1 3.36Å; T1126-I1130 PolarHBondContact O-N 3.44Å; V1127-I1130 WeakPolarHBondContact O-CB 3.36Å; V1127-I1130 PolarHBondContact O-N 2.69Å; V1127-I1130 VanDerWaalsContact O-N 3.13Å; I1130-A1132 PolarHBondContact O-N 3.43Å; I1130-T1133 PolarHBondContact O-N 2.88Å; I1130-E1134 HydrophobicContact CG2-CG 4Å; I1130-E1134 VanDerWaalsContact O-CB 3.31Å; I1130-E1134 WeakPolarHBondContact O-CB 3.43Å; I1130-E1134 WeakPolarHBondContact O-CG 3.48Å; I1130-E1134 PolarHBondContact O-N 3.29Å
1131	L	93.8	Very high	89.5	Confident	0 Å²	0	57.7 Å²	57.7	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-64	-39.5	179.5	-63.9	-174.7	0	0	0	112.3	H1101 V1127 T1133 G1135 A1142 V1145 I1146	H1101-L1131 HydrophobicContact CB-CD2 4.34Å; V1127-L1131 HydrophobicContact CG1-CD1 4.19Å; V1127-L1131 HydrophobicContact CG1-CG 4.21Å; V1127-L1131 WeakPolarHBondContact O-CG 3.38Å; V1127-L1131 PolarHBondContact O-N 3.04Å; L1131-T1133 PolarHBondContact O-N 2.8Å; L1131-G1135 VanDerWaalsContact O-CA 3.3Å; L1131-G1135 WeakPolarHBondContact O-CA 3.31Å; L1131-G1135 PolarHBondContact O-N 3.17Å; L1131-A1142 HydrophobicContact CB-CB 4.04Å; L1131-V1145 HydrophobicContact CD1-CG1 4.1Å; L1131-I1146 HydrophobicContact CD1-CD1 4.19Å; L1131-I1146 HydrophobicContact CD1-CG1 3.8Å
1132	A	91.3	Very high	89.5	Confident	17 Å²	17	56.2 Å²	56.2	14%	0.14	29%	0.288	C	S	.	.	H	α-helix	trans	-61.2	-41.7	173	0	0	0	0	0	112.8	Q1128 I1130 D1136 M1137 L1139 A1142	Q1128-A1132 WeakPolarHBondContact O-CB 3.16Å; Q1128-A1132 PolarHBondContact O-N 2.64Å; I1130-A1132 PolarHBondContact O-N 3.43Å; A1132-D1136 PolarHBondContact O-N 3.19Å; A1132-M1137 VanDerWaalsContact CA-O 3.29Å; A1132-M1137 WeakPolarHBondContact CA-O 3.27Å; A1132-M1137 WeakPolarHBondContact CB-O 3.43Å; A1132-M1137 PolarHBondContact O-N 2.8Å; A1132-L1139 HydrophobicContact CB-CD1 4.25Å; A1132-A1142 HydrophobicContact CB-CB 4.05Å
1133	T	92.9	Very high	88.9	Confident	113 Å²	113	53.4 Å²	53.4	69%	0.693	27%	0.273	S	S	*	.	H	α-helix	trans	-80.7	-44.1	-175	-50.2	0	0	0	0	113.1	R1129 I1130 L1131	R1129-T1133 WeakPolarHBondContact O-CB 3.49Å; R1129-T1133 PolarHBondContact O-N 2.82Å; R1129-T1133 PolarHBondContact O-OG1 3.03Å; I1130-T1133 PolarHBondContact O-N 2.88Å; L1131-T1133 PolarHBondContact O-N 2.8Å
1134	E	93.8	Very high	88	Confident	81 Å²	81	56.1 Å²	56.1	38%	0.379	29%	0.287	S	S	.	.	H	α-helix	trans	-86	-21	-175.7	-60.3	-79	154.4	0	0	112.5	A1097 A1098 H1101 I1130	A1097-E1134 HydrophobicContact CB-CG 4.22Å; A1097-E1134 WeakPolarHBondContact CB-OE1 3.46Å; A1098-E1134 WeakPolarHBondContact CA-OE2 3.06Å; A1098-E1134 WeakPolarHBondContact CB-OE2 3.35Å; H1101-E1134 HydrophobicContact CB-CB 3.59Å; H1101-E1134 HydrophobicContact CB-CG 4.17Å; H1101-E1134 PolarHBondContact CE1-O 3.4Å; H1101-E1134 WeakPolarHBondContact ND1-CB 3.3Å; H1101-E1134 PolarHBondContact ND1-O 2.56Å; H1101-E1134 VanDerWaalsContact ND1-O 3.08Å; I1130-E1134 HydrophobicContact CG2-CG 4Å; I1130-E1134 VanDerWaalsContact O-CB 3.31Å; I1130-E1134 WeakPolarHBondContact O-CB 3.43Å; I1130-E1134 WeakPolarHBondContact O-CG 3.48Å; I1130-E1134 PolarHBondContact O-N 3.29Å
1135	G	87.7	Confident	87.7	Confident	23 Å²	23	58 Å²	58	24%	0.237	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109.5	8.2	-176.7	0	0	0	0	0	115.2	L1131 M1137	L1131-G1135 VanDerWaalsContact O-CA 3.3Å; L1131-G1135 WeakPolarHBondContact O-CA 3.31Å; L1131-G1135 PolarHBondContact O-N 3.17Å; G1135-M1137 PolarHBondContact O-N 2.94Å
1136	D	89.3	Confident	87.4	Confident	163 Å²	163	54.3 Å²	54.3	87%	0.872	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.9	54.7	176	-158.7	31.7	0	0	0	113.4	A1132	A1132-D1136 PolarHBondContact O-N 3.19Å
1137	M	89.7	Confident	86.5	Confident	47 Å²	47	54.1 Å²	54.1	23%	0.232	28%	0.281	C	S	.	.			trans	-139.9	155.5	-175.8	67.9	-177.9	70.7	0	0	112.1	A1132 G1135 E1141 A1142 V1145	A1132-M1137 VanDerWaalsContact CA-O 3.29Å; A1132-M1137 WeakPolarHBondContact CA-O 3.27Å; A1132-M1137 WeakPolarHBondContact CB-O 3.43Å; A1132-M1137 PolarHBondContact O-N 2.8Å; G1135-M1137 PolarHBondContact O-N 2.94Å; M1137-E1141 HydrophobicContact CB-CB 4.33Å; M1137-A1142 HydrophobicContact CG-CB 4.11Å; M1137-A1142 HydrophobicContact SD-CB 3.91Å; M1137-V1145 HydrophobicContact SD-CG2 4.17Å
1138	E	86.7	Confident	85.7	Confident	141 Å²	141	57 Å²	57	66%	0.659	30%	0.299	S	S	*	.			trans	-69.2	156.2	-179.8	-81.2	-66.8	172.4	0	0	112.6	D1140 E1141 A1142	E1138-D1140 VanDerWaalsContact C-N 3.26Å; E1138-D1140 PolarHBondContact O-N 3.33Å; E1138-E1141 HydrophobicContact CB-CG 4.11Å; E1138-E1141 PolarHBondContact N-OE2 2.93Å; E1138-E1141 WeakPolarHBondContact O-CB 3.38Å; E1138-E1141 PolarHBondContact O-N 3.22Å; E1138-A1142 PolarHBondContact O-N 2.91Å
1139	L	79.9	Confident	85.5	Confident	78 Å²	78	56.8 Å²	56.8	41%	0.408	30%	0.298	S	S	.	.	H	α-helix	trans	-60.9	-34.9	-173.4	-166.5	76.4	0	0	0	112.7	Q1128 R1129 A1132 G1143	Q1128-L1139 HydrophobicContact CG-CD1 4.04Å; Q1128-L1139 HydrophobicContact CG-CG 4.29Å; Q1128-L1139 PolarHBondContact NE2-O 3.01Å; R1129-L1139 HydrophobicContact CG-CD1 3.96Å; A1132-L1139 HydrophobicContact CB-CD1 4.25Å; L1139-G1143 PolarHBondContact O-N 2.69Å; L1139-G1143 VanDerWaalsContact O-N 3.13Å
1140	D	74.1	Confident	85	Confident	98 Å²	98	50.7 Å²	50.7	52%	0.524	28%	0.275	S	S	.	.	H	α-helix	trans	-72.5	-35.4	175.5	-77.8	-32.7	0	0	0	112.2	E1138 G1143 D1144	E1138-D1140 VanDerWaalsContact C-N 3.26Å; E1138-D1140 PolarHBondContact O-N 3.33Å; D1140-G1143 WeakPolarHBondContact O-CA 3.41Å; D1140-G1143 PolarHBondContact O-N 2.88Å; D1140-G1143 VanDerWaalsContact O-N 3.1Å; D1140-D1144 PolarHBondContact O-N 2.75Å
1141	E	77.9	Confident	84	Confident	113 Å²	113	52.9 Å²	52.9	53%	0.528	29%	0.286	S	S	.	.	H	α-helix	trans	-65.9	-43.7	175.2	-61.1	-178.8	133.4	0	0	110.8	M1137 E1138 G1143 D1144 V1145	M1137-E1141 HydrophobicContact CB-CB 4.33Å; E1138-E1141 HydrophobicContact CB-CG 4.11Å; E1138-E1141 PolarHBondContact N-OE2 2.93Å; E1138-E1141 WeakPolarHBondContact O-CB 3.38Å; E1138-E1141 PolarHBondContact O-N 3.22Å; E1141-G1143 PolarHBondContact O-N 3.42Å; E1141-D1144 PolarHBondContact O-N 3.25Å; E1141-V1145 WeakPolarHBondContact O-CG2 3.38Å; E1141-V1145 PolarHBondContact O-N 3.32Å
1142	A	83.2	Confident	83.5	Confident	0 Å²	0	57.5 Å²	57.5	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-59.7	-31.3	170.5	0	0	0	0	0	112.6	Q1128 L1131 A1132 M1137 E1138 I1146	Q1128-A1142 HydrophobicContact CG-CB 4.09Å; Q1128-A1142 WeakPolarHBondContact O-CB 3.28Å; L1131-A1142 HydrophobicContact CB-CB 4.04Å; A1132-A1142 HydrophobicContact CB-CB 4.05Å; M1137-A1142 HydrophobicContact CG-CB 4.11Å; M1137-A1142 HydrophobicContact SD-CB 3.91Å; E1138-A1142 PolarHBondContact O-N 2.91Å; A1142-I1146 WeakPolarHBondContact O-CG1 3.42Å; A1142-I1146 PolarHBondContact O-N 2.91Å
1143	G	77.5	Confident	83.4	Confident	1 Å²	1	60.5 Å²	60.5	1%	0.01	32%	0.319	C	S	.	.	H	α-helix	trans	-67.2	-47.3	173.1	0	0	0	0	0	112.7	L1139 D1140 E1141 I1146 G1147	L1139-G1143 PolarHBondContact O-N 2.69Å; L1139-G1143 VanDerWaalsContact O-N 3.13Å; D1140-G1143 WeakPolarHBondContact O-CA 3.41Å; D1140-G1143 PolarHBondContact O-N 2.88Å; D1140-G1143 VanDerWaalsContact O-N 3.1Å; E1141-G1143 PolarHBondContact O-N 3.42Å; G1143-I1146 PolarHBondContact O-N 3.43Å; G1143-G1147 PolarHBondContact O-N 3.48Å
1144	D	76	Confident	83.4	Confident	58 Å²	58	56 Å²	56	31%	0.31	29%	0.29	S	S	.	.	H	α-helix	trans	-67.8	-34.4	177.6	-83.5	13.1	0	0	0	111.9	S615 S617 D1140 E1141 I1146 G1147 V1148	S615-D1144 PolarHBondContact OG-OD1 2.63Å; S617-D1144 PolarHBondContact OG-OD1 3.14Å; D1140-D1144 PolarHBondContact O-N 2.75Å; E1141-D1144 PolarHBondContact O-N 3.25Å; D1144-I1146 PolarHBondContact O-N 2.8Å; D1144-G1147 WeakPolarHBondContact O-CA 3.45Å; D1144-G1147 PolarHBondContact O-N 2.94Å; D1144-G1147 VanDerWaalsContact O-N 3.12Å; D1144-V1148 PolarHBondContact O-N 3.39Å
1145	V	83.4	Confident	83.4	Confident	47 Å²	47	52.4 Å²	52.4	29%	0.285	27%	0.272	S	S	.	.	H	α-helix	trans	-58.8	-43.7	170	167.9	0	0	0	0	111.4	L1131 M1137 E1141 G1147 V1148 L1149	L1131-V1145 HydrophobicContact CD1-CG1 4.1Å; M1137-V1145 HydrophobicContact SD-CG2 4.17Å; E1141-V1145 WeakPolarHBondContact O-CG2 3.38Å; E1141-V1145 PolarHBondContact O-N 3.32Å; V1145-G1147 VanDerWaalsContact C-N 3.3Å; V1145-G1147 PolarHBondContact O-N 3.09Å; V1145-V1148 PolarHBondContact O-N 2.8Å; V1145-L1149 HydrophobicContact CG1-CD1 4.16Å; V1145-L1149 WeakPolarHBondContact O-CG 3.44Å; V1145-L1149 PolarHBondContact O-N 3.26Å
1146	I	83.8	Confident	83.6	Confident	1 Å²	1	51.7 Å²	51.7	1%	0.005	26%	0.263	C	S	.	.	H	α-helix	trans	-66.9	-33.8	175.2	-63.8	164.3	0	0	0	111.3	L1124 V1127 Q1128 L1131 A1142 G1143 D1144 L1149 R1150 Y1155	L1124-I1146 HydrophobicContact CD1-CG2 3.7Å; V1127-I1146 HydrophobicContact CB-CD1 4.39Å; V1127-I1146 HydrophobicContact CG1-CD1 4.02Å; V1127-I1146 HydrophobicContact CG1-CG1 4.46Å; Q1128-I1146 HydrophobicContact CB-CD1 3.85Å; Q1128-I1146 HydrophobicContact CG-CD1 4.43Å; L1131-I1146 HydrophobicContact CD1-CD1 4.19Å; L1131-I1146 HydrophobicContact CD1-CG1 3.8Å; A1142-I1146 WeakPolarHBondContact O-CG1 3.42Å; A1142-I1146 PolarHBondContact O-N 2.91Å; G1143-I1146 PolarHBondContact O-N 3.43Å; D1144-I1146 PolarHBondContact O-N 2.8Å; I1146-L1149 PolarHBondContact O-N 3.17Å; I1146-R1150 WeakPolarHBondContact O-CG 3.4Å; I1146-R1150 PolarHBondContact O-N 3.02Å; I1146-Y1155 HydrophobicContact CG2-CD1 4.46Å; I1146-Y1155 HydrophobicContact CG2-CD2 4.41Å; I1146-Y1155 HydrophobicContact CG2-CG 4.33Å
1147	G	76.2	Confident	83.7	Confident	3 Å²	3	45.7 Å²	45.7	3%	0.031	23%	0.23	C	C	.	.	H	α-helix	trans	-54.7	-50.4	168.6	0	0	0	0	0	112.3	G1143 D1144 V1145 L1149 R1150 D1151	G1143-G1147 PolarHBondContact O-N 3.48Å; D1144-G1147 WeakPolarHBondContact O-CA 3.45Å; D1144-G1147 PolarHBondContact O-N 2.94Å; D1144-G1147 VanDerWaalsContact O-N 3.12Å; V1145-G1147 VanDerWaalsContact C-N 3.3Å; V1145-G1147 PolarHBondContact O-N 3.09Å; G1147-L1149 PolarHBondContact O-N 3.24Å; G1147-R1150 PolarHBondContact O-N 2.91Å; G1147-D1151 PolarHBondContact O-N 3.05Å
1148	V	80	Confident	83.6	Confident	61 Å²	61	44 Å²	44	37%	0.37	22%	0.222	S	C	.	.	H	α-helix	trans	-62.6	-39.3	176.1	174.5	0	0	0	0	112	I611 D1144 V1145 R1150 D1151 Q1152	I611-V1148 HydrophobicContact CD1-CG2 3.95Å; D1144-V1148 PolarHBondContact O-N 3.39Å; V1145-V1148 PolarHBondContact O-N 2.8Å; V1148-R1150 VanDerWaalsContact C-N 3.34Å; V1148-R1150 PolarHBondContact O-N 3.03Å; V1148-D1151 PolarHBondContact O-N 2.87Å; V1148-Q1152 HydrophobicContact CG1-CG 4.3Å; V1148-Q1152 VanDerWaalsContact CG1-NE2 3.35Å; V1148-Q1152 WeakPolarHBondContact O-CB 3.43Å; V1148-Q1152 WeakPolarHBondContact O-CG 3.4Å; V1148-Q1152 PolarHBondContact O-N 3.21Å
1149	L	88	Confident	83.5	Confident	5 Å²	5	38.8 Å²	38.8	3%	0.026	20%	0.198	C	C	.	.	H	α-helix	trans	-65.1	-34.4	176.2	-68.2	168.6	0	0	0	112.8	L1104 V1145 I1146 G1147 Q1153 R1154 Y1155	L1104-L1149 HydrophobicContact CB-CD1 4.04Å; L1104-L1149 HydrophobicContact CD1-CD1 4.2Å; L1104-L1149 HydrophobicContact CD2-CD1 4.23Å; L1104-L1149 HydrophobicContact CG-CD1 4.4Å; V1145-L1149 HydrophobicContact CG1-CD1 4.16Å; V1145-L1149 WeakPolarHBondContact O-CG 3.44Å; V1145-L1149 PolarHBondContact O-N 3.26Å; I1146-L1149 PolarHBondContact O-N 3.17Å; G1147-L1149 PolarHBondContact O-N 3.24Å; L1149-Q1153 PolarHBondContact O-N 2.95Å; L1149-R1154 HydrophobicContact CD2-CB 4.21Å; L1149-R1154 VanDerWaalsContact CD2-CZ 3.45Å; L1149-R1154 PolarHBondContact O-N 3.37Å; L1149-Y1155 PolarHBondContact O-N 2.9Å
1150	R	82.9	Confident	83.4	Confident	9 Å²	9	38.2 Å²	38.2	3%	0.034	19%	0.192	C	C	.	.	H	α-helix	trans	-71.6	-25.4	174.4	-76.5	173.6	162.8	166.2	-0.4	113.5	N576 K610 N614 L1124 I1146 G1147 V1148 Y1155 E1157	N576-R1150 PolarHBondContact ND2-NH2 3.24Å; K610-R1150 HydrophobicContact CD-CB 3.89Å; K610-R1150 PolarHBondContact NZ-O 3.31Å; N614-R1150 PolarHBondContact O-NH1 2.95Å; L1124-R1150 VanDerWaalsContact CD2-NH2 3.27Å; I1146-R1150 WeakPolarHBondContact O-CG 3.4Å; I1146-R1150 PolarHBondContact O-N 3.02Å; G1147-R1150 PolarHBondContact O-N 2.91Å; V1148-R1150 VanDerWaalsContact C-N 3.34Å; V1148-R1150 PolarHBondContact O-N 3.03Å; R1150-Y1155 HydrophobicContact CG-CD1 4.01Å; R1150-Y1155 HydrophobicContact CG-CG 4.42Å; R1150-E1157 IonicContact CZ-OE1 3.71Å; R1150-E1157 IonicContact CZ-OE2 3.27Å; R1150-E1157 VanDerWaalsContact CZ-OE2 3.23Å; R1150-E1157 IonicContact NE-OE1 3.68Å; R1150-E1157 IonicContact NE-OE2 2.76Å; R1150-E1157 PolarHBondContact NE-OE2 3.31Å; R1150-E1157 VanDerWaalsContact NH2-CD 3.3Å; R1150-E1157 IonicContact NH2-OE1 2.91Å; R1150-E1157 PolarHBondContact NH2-OE1 3.08Å; R1150-E1157 IonicContact NH2-OE2 3.07Å; R1150-E1157 PolarHBondContact NH2-OE2 3.48Å
1151	D	75.9	Confident	83.3	Confident	51 Å²	51	33.7 Å²	33.7	27%	0.273	17%	0.169	S	C	.	.	H	α-helix	trans	-81.4	-42.1	173.4	-73.4	-31.9	0	0	0	112.2	S608 K610 I611 G1147 V1148 Q1153	S608-D1151 VanDerWaalsContact CB-CG 3.49Å; S608-D1151 WeakPolarHBondContact CB-OD1 3.5Å; S608-D1151 WeakPolarHBondContact CB-OD2 3.36Å; S608-D1151 PolarHBondContact OG-OD1 3.15Å; S608-D1151 PolarHBondContact OG-OD2 2.78Å; K610-D1151 WeakPolarHBondContact CB-OD1 3.45Å; I611-D1151 WeakPolarHBondContact CD1-OD2 3.49Å; I611-D1151 VanDerWaalsContact CG1-OD2 3.31Å; I611-D1151 WeakPolarHBondContact CG1-OD2 3.37Å; G1147-D1151 PolarHBondContact O-N 3.05Å; V1148-D1151 PolarHBondContact O-N 2.87Å; D1151-Q1153 PolarHBondContact O-N 3.02Å
1152	Q	84	Confident	82.9	Confident	97 Å²	97	30 Å²	30	45%	0.453	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-0.9	175.8	-70.5	-179.2	9.6	0	0	113.6	V1148 R1154	V1148-Q1152 HydrophobicContact CG1-CG 4.3Å; V1148-Q1152 VanDerWaalsContact CG1-NE2 3.35Å; V1148-Q1152 WeakPolarHBondContact O-CB 3.43Å; V1148-Q1152 WeakPolarHBondContact O-CG 3.4Å; V1148-Q1152 PolarHBondContact O-N 3.21Å; Q1152-R1154 VanDerWaalsContact C-N 3.34Å; Q1152-R1154 HydrophobicContact CB-CB 4.45Å; Q1152-R1154 HydrophobicContact CB-CG 4.08Å
1153	Q	87.7	Confident	82.3	Confident	80 Å²	80	33.1 Å²	33.1	37%	0.374	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.4	52.3	-171.2	-54.4	-67.7	-19.9	0	0	111	H1110 L1149 D1151 H1156	H1110-Q1153 PolarHBondContact CE1-O 3.16Å; H1110-Q1153 PolarHBondContact ND1-O 2.81Å; L1149-Q1153 PolarHBondContact O-N 2.95Å; D1151-Q1153 PolarHBondContact O-N 3.02Å; Q1153-H1156 VanDerWaalsContact C-CE1 3.41Å; Q1153-H1156 PolarHBondContact O-CE1 2.67Å; Q1153-H1156 PolarHBondContact O-NE2 3.41Å; Q1153-H1156 VanDerWaalsContact O-NE2 3.15Å
1154	R	93.6	Very high	81.4	Confident	20 Å²	20	36.6 Å²	36.6	8%	0.075	19%	0.189	C	C	.	.			trans	-125.2	-18.7	178.9	-69.9	175.9	59.9	-123.4	-23.8	113.7	L1104 R1108 G1109 H1110 M1111 L1149 Q1152	L1104-R1154 PolarHBondContact O-NH2 3.19Å; R1108-R1154 VanDerWaalsContact CA-NH2 3.34Å; R1108-R1154 PolarHBondContact O-NE 2.81Å; R1108-R1154 PolarHBondContact O-NH2 3.21Å; G1109-R1154 PolarHBondContact O-NE 3.17Å; G1109-R1154 PolarHBondContact O-NH2 3.17Å; H1110-R1154 CarbonylContact C-O 3.41Å; H1110-R1154 VanDerWaalsContact CA-O 3.31Å; H1110-R1154 WeakPolarHBondContact CA-O 3.49Å; M1111-R1154 PolarHBondContact N-O 3.21Å; L1149-R1154 HydrophobicContact CD2-CB 4.21Å; L1149-R1154 VanDerWaalsContact CD2-CZ 3.45Å; L1149-R1154 PolarHBondContact O-N 3.37Å; Q1152-R1154 VanDerWaalsContact C-N 3.34Å; Q1152-R1154 HydrophobicContact CB-CB 4.45Å; Q1152-R1154 HydrophobicContact CB-CG 4.08Å
1155	Y	93.4	Very high	80.6	Confident	4 Å²	4	39.4 Å²	39.4	2%	0.016	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	113.2	165	-167.3	-79.8	0	0	0	108.4	M1111 V1113 L1124 V1127 I1146 L1149 R1150 E1157	M1111-Y1155 HydrophobicContact CB-CD2 4.2Å; M1111-Y1155 HydrophobicContact CG-CD2 4.45Å; M1111-Y1155 HydrophobicContact CG-CE2 4.28Å; M1111-Y1155 WeakPolarHBondContact O-CA 3.42Å; M1111-Y1155 HydrophobicContact SD-CD2 4.24Å; M1111-Y1155 HydrophobicContact SD-CE2 3.7Å; V1113-Y1155 HydrophobicContact CG2-CE1 4.4Å; L1124-Y1155 HydrophobicContact CD1-CE1 3.97Å; V1127-Y1155 HydrophobicContact CB-CE2 4.47Å; V1127-Y1155 HydrophobicContact CG1-CE2 4.2Å; V1127-Y1155 HydrophobicContact CG2-CE2 4.3Å; I1146-Y1155 HydrophobicContact CG2-CD1 4.46Å; I1146-Y1155 HydrophobicContact CG2-CD2 4.41Å; I1146-Y1155 HydrophobicContact CG2-CG 4.33Å; L1149-Y1155 PolarHBondContact O-N 2.9Å; R1150-Y1155 HydrophobicContact CG-CD1 4.01Å; R1150-Y1155 HydrophobicContact CG-CG 4.42Å; Y1155-E1157 HydrophobicContact CD1-CG 4.07Å; Y1155-E1157 HydrophobicContact CE1-CG 3.72Å
1156	H	93.1	Very high	79.7	Confident	9 Å²	9	40.1 Å²	40.1	4%	0.042	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	137.2	-167.5	-50.1	-95	0	0	0	111	S998 F999 H1110 M1111 F1112 V1113 Q1153	S998-H1156 PolarHBondContact O-ND1 2.88Å; F999-H1156 HydrophobicContact CD2-CB 3.67Å; F999-H1156 HydrophobicContact CE2-CB 3.89Å; H1110-H1156 AromaticContact CE1-NE2 3.92Å; H1110-H1156 AromaticContact CG-NE2 3.78Å; H1110-H1156 AromaticContact ND1-CE1 3.73Å; H1110-H1156 AromaticContact ND1-NE2 2.9Å; H1110-H1156 PolarHBondContact ND1-NE2 3.46Å; M1111-H1156 PolarHBondContact O-CD2 2.93Å; M1111-H1156 PolarHBondContact O-N 2.99Å; F1112-H1156 HydrophobicContact CB-CB 4.46Å; F1112-H1156 HydrophobicContact CD1-CB 3.47Å; F1112-H1156 VanDerWaalsContact CD1-CB 3.47Å; F1112-H1156 AromaticContact CD1-CD2 3.59Å; F1112-H1156 AromaticContact CD1-CG 3.57Å; F1112-H1156 HydrophobicContact CE1-CB 3.9Å; F1112-H1156 AromaticContact CE1-CD2 3.36Å; F1112-H1156 WeakPolarHBondContact CE1-CD2 3.34Å; F1112-H1156 AromaticContact CE1-CE1 3.92Å; F1112-H1156 AromaticContact CE1-CG 3.47Å; F1112-H1156 VanDerWaalsContact CE1-CG 3.47Å; F1112-H1156 AromaticContact CE1-ND1 3.83Å; F1112-H1156 AromaticContact CE1-NE2 3.69Å; F1112-H1156 AromaticContact CE2-CD2 3.82Å; F1112-H1156 HydrophobicContact CG-CB 4.08Å; F1112-H1156 AromaticContact CG-CD2 3.9Å; F1112-H1156 AromaticContact CZ-CD2 3.48Å; F1112-H1156 VanDerWaalsContact CZ-CD2 3.48Å; F1112-H1156 WeakPolarHBondContact CZ-CD2 3.21Å; F1112-H1156 AromaticContact CZ-NE2 3.49Å; F1112-H1156 WeakPolarHBondContact CZ-NE2 3.29Å; V1113-H1156 PolarHBondContact N-O 2.8Å; Q1153-H1156 VanDerWaalsContact C-CE1 3.41Å; Q1153-H1156 PolarHBondContact O-CE1 2.67Å; Q1153-H1156 PolarHBondContact O-NE2 3.41Å; Q1153-H1156 VanDerWaalsContact O-NE2 3.15Å
1157	E	89.9	Confident	78.6	Confident	37 Å²	37	45.4 Å²	45.4	17%	0.173	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	118.5	-174.6	-72.5	167.5	123.7	0	0	111.2	N576 V1113 R1150 Y1155 I1159	N576-E1157 PolarHBondContact ND2-OE1 3.33Å; N576-E1157 PolarHBondContact ND2-OE2 2.96Å; V1113-E1157 HydrophobicContact CB-CG 4.37Å; V1113-E1157 CarbonylContact O-C 3.54Å; V1113-E1157 WeakPolarHBondContact O-CA 3.4Å; R1150-E1157 IonicContact CZ-OE1 3.71Å; R1150-E1157 IonicContact CZ-OE2 3.27Å; R1150-E1157 VanDerWaalsContact CZ-OE2 3.23Å; R1150-E1157 IonicContact NE-OE1 3.68Å; R1150-E1157 IonicContact NE-OE2 2.76Å; R1150-E1157 PolarHBondContact NE-OE2 3.31Å; R1150-E1157 VanDerWaalsContact NH2-CD 3.3Å; R1150-E1157 IonicContact NH2-OE1 2.91Å; R1150-E1157 PolarHBondContact NH2-OE1 3.08Å; R1150-E1157 IonicContact NH2-OE2 3.07Å; R1150-E1157 PolarHBondContact NH2-OE2 3.48Å; Y1155-E1157 HydrophobicContact CD1-CG 4.07Å; Y1155-E1157 HydrophobicContact CE1-CG 3.72Å; E1157-I1159 HydrophobicContact CB-CD1 4.15Å; E1157-I1159 HydrophobicContact CB-CG1 4.22Å
1158	D	88.9	Confident	77.8	Confident	11 Å²	11	50.6 Å²	50.6	6%	0.059	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	102.7	174.8	178.7	24.7	0	0	0	109.4	H798 S941 F999 V1113 C1114 G1115 F1160	H798-D1158 IonicContact CD2-OD1 3.99Å; H798-D1158 IonicContact CE1-OD1 3.31Å; H798-D1158 IonicContact NE2-OD1 3.87Å; H798-D1158 PolarHBondContact NE2-OD1 3.48Å; H798-D1158 IonicContact NE2-OD2 3.75Å; H798-D1158 PolarHBondContact NE2-OD2 3.42Å; S941-D1158 PolarHBondContact OG-OD2 2.98Å; F999-D1158 HydrophobicContact CD1-CB 4.08Å; F999-D1158 HydrophobicContact CD2-CB 3.67Å; F999-D1158 HydrophobicContact CE1-CB 4.06Å; F999-D1158 HydrophobicContact CE2-CB 3.62Å; F999-D1158 HydrophobicContact CG-CB 3.92Å; F999-D1158 HydrophobicContact CZ-CB 3.83Å; V1113-D1158 PolarHBondContact O-N 3.36Å; C1114-D1158 CarbonylContact C-O 3.58Å; C1114-D1158 WeakPolarHBondContact CA-O 3.42Å; C1114-D1158 HydrophobicContact CB-CB 4.21Å; C1114-D1158 PolarHBondContact SG-OD2 3.01Å; C1114-D1158 VanDerWaalsContact SG-OD2 3.33Å; G1115-D1158 PolarHBondContact N-O 3.32Å; D1158-F1160 WeakPolarHBondContact OD2-CE1 3.44Å
1159	I	84	Confident	77	Confident	31 Å²	31	48.4 Å²	48.4	16%	0.159	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	114.1	-162.3	-53.3	-57.4	0	0	0	111.7	Y657 G1115 V1117 A1120 E1157 G1161	Y657-I1159 HydrophobicContact CE1-CG2 4.03Å; G1115-I1159 WeakPolarHBondContact O-CA 3.42Å; V1117-I1159 HydrophobicContact CB-CG2 3.71Å; V1117-I1159 HydrophobicContact CG2-CG2 4.05Å; A1120-I1159 HydrophobicContact CB-CD1 3.34Å; E1157-I1159 HydrophobicContact CB-CD1 4.15Å; E1157-I1159 HydrophobicContact CB-CG1 4.22Å; I1159-G1161 VanDerWaalsContact C-N 3.27Å; I1159-G1161 PolarHBondContact O-N 2.99Å
1160	F	77.6	Confident	75.8	Confident	66 Å²	66	48.4 Å²	48.4	29%	0.289	24%	0.236	S	C	.	.			trans	-82.8	1.4	-178.3	-54.2	-16.1	0	0	0	113.8	S941 C1114 G1115 D1158 T1163	S941-F1160 VanDerWaalsContact OG-CE1 3.29Å; S941-F1160 WeakPolarHBondContact OG-CE1 3.33Å; C1114-F1160 WeakPolarHBondContact SG-CZ 3.38Å; G1115-F1160 PolarHBondContact O-N 2.96Å; D1158-F1160 WeakPolarHBondContact OD2-CE1 3.44Å; F1160-T1163 HydrophobicContact CB-CG2 3.72Å
1161	G	72.9	Confident	75	Confident	3 Å²	3	50.8 Å²	50.8	3%	0.031	25%	0.253	C	S	.	.			trans	76.5	-149.1	-170.3	0	0	0	0	0	113.1	Y657 D1116 V1117 I1159 T1163	Y657-G1161 VanDerWaalsContact OH-CA 3.29Å; Y657-G1161 WeakPolarHBondContact OH-CA 3.45Å; D1116-G1161 WeakPolarHBondContact CA-O 3.41Å; V1117-G1161 PolarHBondContact N-O 3.02Å; I1159-G1161 VanDerWaalsContact C-N 3.27Å; I1159-G1161 PolarHBondContact O-N 2.99Å; G1161-T1163 PolarHBondContact O-N 3.27Å
1162	L	68.6	Low	74.7	Confident	37 Å²	37	55.8 Å²	55.8	19%	0.194	27%	0.268	C	S	.	.	S	Bend	trans	-83.3	83.3	-176.7	-73.5	176	0	0	0	112.5	A656 L688 V1117 T1166 V1169	A656-L1162 HydrophobicContact CB-CD1 3.63Å; A656-L1162 HydrophobicContact CB-CD2 4.1Å; A656-L1162 HydrophobicContact CB-CG 3.75Å; L688-L1162 HydrophobicContact CD2-CD1 4.49Å; V1117-L1162 HydrophobicContact CG1-CD2 3.73Å; V1117-L1162 HydrophobicContact CG1-CG 4.08Å; L1162-T1166 HydrophobicContact CB-CG2 4.22Å; L1162-T1166 PolarHBondContact O-OG1 2.95Å; L1162-V1169 HydrophobicContact CD2-CB 4.26Å; L1162-V1169 HydrophobicContact CD2-CG1 3.59Å
1163	T	69.8	Low	73.9	Confident	64 Å²	64	51.9 Å²	51.9	39%	0.393	25%	0.251	S	S	.	.			trans	-106.4	-16	-178.8	59.1	0	0	0	0	113.7	D1116 F1160 G1161	D1116-T1163 PolarHBondContact OD2-N 3.47Å; D1116-T1163 PolarHBondContact OD2-OG1 3.48Å; F1160-T1163 HydrophobicContact CB-CG2 3.72Å; G1161-T1163 PolarHBondContact O-N 3.27Å
1164	L	58.7	Low	72.9	Confident	74 Å²	74	50.3 Å²	50.3	39%	0.387	24%	0.241	S	C	.	.	S	Bend	trans	-112.2	135.5	175.1	-62.4	177.7	0	0	0	110.8	D1116 T1166	D1116-L1164 HydrophobicContact CB-CB 4.09Å; D1116-L1164 HydrophobicContact CB-CD1 3.7Å; D1116-L1164 HydrophobicContact CB-CG 3.75Å; D1116-L1164 PolarHBondContact OD2-N 3.5Å; L1164-T1166 PolarHBondContact O-N 3.2Å; L1164-T1166 VanDerWaalsContact O-N 3.11Å
1165	R	59.7	Low	71.6	Confident	118 Å²	118	53.5 Å²	53.5	45%	0.445	26%	0.263	S	S	.	.	S	Bend	trans	53.3	29.6	176	-61.7	172.1	171.8	-116.7	29.3	114.5	Y1087 Q1167 E1168 V1169	Y1087-R1165 PolarHBondContact OH-NH2 3.41Å; R1165-Q1167 VanDerWaalsContact C-N 3.32Å; R1165-Q1167 PolarHBondContact O-N 2.69Å; R1165-E1168 HydrophobicContact CB-CB 4.34Å; R1165-E1168 WeakPolarHBondContact CD-OE2 3.43Å; R1165-E1168 IonicContact CZ-OE1 2.67Å; R1165-E1168 IonicContact CZ-OE2 3.03Å; R1165-E1168 IonicContact NE-OE2 3.65Å; R1165-E1168 IonicContact NH1-OE1 3.44Å; R1165-E1168 PolarHBondContact NH1-OE1 2.95Å; R1165-E1168 IonicContact NH1-OE2 3.85Å; R1165-E1168 PolarHBondContact NH1-OE2 3.17Å; R1165-E1168 WeakPolarHBondContact O-CB 3.14Å; R1165-E1168 PolarHBondContact O-N 2.76Å; R1165-V1169 HydrophobicContact CB-CG2 3.92Å; R1165-V1169 PolarHBondContact O-N 2.82Å
1166	T	65.1	Low	70.3	Confident	62 Å²	62	58.1 Å²	58.1	38%	0.38	29%	0.285	S	S	.	.	H	α-helix	trans	-48.2	-43.6	-168.5	-44.6	0	0	0	0	114.6	L1162 L1164 T1170	L1162-T1166 HydrophobicContact CB-CG2 4.22Å; L1162-T1166 PolarHBondContact O-OG1 2.95Å; L1164-T1166 PolarHBondContact O-N 3.2Å; L1164-T1166 VanDerWaalsContact O-N 3.11Å; T1166-T1170 WeakPolarHBondContact O-CB 3.42Å; T1166-T1170 PolarHBondContact O-N 2.93Å; T1166-T1170 PolarHBondContact O-OG1 3.18Å
1167	Q	59.8	Low	68.9	Low	111 Å²	111	57.9 Å²	57.9	52%	0.519	28%	0.284	S	S	.	.	H	α-helix	trans	-61.1	-49.5	176.3	-76	169.7	-41.9	0	0	113	R1165 S1171	R1165-Q1167 VanDerWaalsContact C-N 3.32Å; R1165-Q1167 PolarHBondContact O-N 2.69Å; Q1167-S1171 WeakPolarHBondContact O-CB 3.43Å; Q1167-S1171 PolarHBondContact O-N 3.24Å
1168	E	60.5	Low	67.7	Low	112 Å²	112	58.2 Å²	58.2	52%	0.523	29%	0.285	S	S	.	.	H	α-helix	trans	-64.6	-46.7	-178.9	-179.6	-170.2	171.1	0	0	111.6	R1165 R1172	R1165-E1168 HydrophobicContact CB-CB 4.34Å; R1165-E1168 WeakPolarHBondContact CD-OE2 3.43Å; R1165-E1168 IonicContact CZ-OE1 2.67Å; R1165-E1168 IonicContact CZ-OE2 3.03Å; R1165-E1168 IonicContact NE-OE2 3.65Å; R1165-E1168 IonicContact NH1-OE1 3.44Å; R1165-E1168 PolarHBondContact NH1-OE1 2.95Å; R1165-E1168 IonicContact NH1-OE2 3.85Å; R1165-E1168 PolarHBondContact NH1-OE2 3.17Å; R1165-E1168 WeakPolarHBondContact O-CB 3.14Å; R1165-E1168 PolarHBondContact O-N 2.76Å; E1168-R1172 PolarHBondContact O-N 2.96Å; E1168-R1172 VanDerWaalsContact O-N 3.1Å
1169	V	62.8	Low	66.2	Low	15 Å²	15	60.2 Å²	60.2	9%	0.091	30%	0.3	C	S	.	.	H	α-helix	trans	-69.7	-47.8	-176.9	179	0	0	0	0	111	L1162 R1165 S1171 R1172 I1173	L1162-V1169 HydrophobicContact CD2-CB 4.26Å; L1162-V1169 HydrophobicContact CD2-CG1 3.59Å; R1165-V1169 HydrophobicContact CB-CG2 3.92Å; R1165-V1169 PolarHBondContact O-N 2.82Å; V1169-S1171 PolarHBondContact O-N 2.88Å; V1169-R1172 PolarHBondContact O-N 3.28Å; V1169-I1173 HydrophobicContact CG1-CD1 3.71Å; V1169-I1173 HydrophobicContact CG1-CG1 4.49Å; V1169-I1173 WeakPolarHBondContact O-CG1 3.29Å; V1169-I1173 PolarHBondContact O-N 2.89Å
1170	T	63.9	Low	64.9	Low	6 Å²	6	62.6 Å²	62.6	4%	0.037	31%	0.313	C	S	.	.	H	α-helix	trans	-63	-42.1	177.2	-63.6	0	0	0	0	111.6	L688 W905 T1166 R1172 I1173 R1174	L688-T1170 HydrophobicContact CD2-CG2 4.41Å; W905-T1170 HydrophobicContact CD2-CG2 3.93Å; W905-T1170 HydrophobicContact CE3-CG2 3.89Å; W905-T1170 HydrophobicContact CH2-CG2 3.81Å; W905-T1170 HydrophobicContact CZ2-CG2 3.84Å; W905-T1170 HydrophobicContact CZ3-CG2 3.84Å; T1166-T1170 WeakPolarHBondContact O-CB 3.42Å; T1166-T1170 PolarHBondContact O-N 2.93Å; T1166-T1170 PolarHBondContact O-OG1 3.18Å; T1170-R1172 PolarHBondContact O-N 3.48Å; T1170-I1173 PolarHBondContact O-N 2.98Å; T1170-R1174 VanDerWaalsContact O-CB 3.23Å; T1170-R1174 WeakPolarHBondContact O-CB 3.44Å; T1170-R1174 PolarHBondContact O-N 3.49Å
1171	S	65.3	Low	63.7	Low	58 Å²	58	62.7 Å²	62.7	41%	0.406	31%	0.314	S	S	.	.	H	α-helix	trans	-59.8	-45.2	177.3	-172.6	0	0	0	0	111.6	Q1167 V1169 R1174 T1175	Q1167-S1171 WeakPolarHBondContact O-CB 3.43Å; Q1167-S1171 PolarHBondContact O-N 3.24Å; V1169-S1171 PolarHBondContact O-N 2.88Å; S1171-R1174 PolarHBondContact O-N 2.85Å; S1171-T1175 PolarHBondContact O-N 2.68Å; S1171-T1175 VanDerWaalsContact O-N 3.15Å; S1171-T1175 PolarHBondContact O-OG1 2.7Å
1172	R	68.7	Low	62.7	Low	156 Å²	156	67.2 Å²	67.2	59%	0.589	33%	0.334	S	S	*	.	H	α-helix	trans	-61.3	-49.1	176.6	-164.9	-170.5	78.6	-171.2	1.1	112.2	E1168 V1169 T1170 R1174 T1175 Q1176	E1168-R1172 PolarHBondContact O-N 2.96Å; E1168-R1172 VanDerWaalsContact O-N 3.1Å; V1169-R1172 PolarHBondContact O-N 3.28Å; T1170-R1172 PolarHBondContact O-N 3.48Å; R1172-R1174 PolarHBondContact O-N 3.3Å; R1172-T1175 PolarHBondContact O-N 2.88Å; R1172-Q1176 WeakPolarHBondContact O-CG 3.41Å; R1172-Q1176 PolarHBondContact O-N 2.72Å; R1172-Q1176 VanDerWaalsContact O-N 3.15Å
1173	I	67.7	Low	61.5	Low	16 Å²	16	74.6 Å²	74.6	8%	0.082	36%	0.36	C	S	.	.	H	α-helix	trans	-64.3	-41.3	-179.1	-62.8	164.6	0	0	0	110.5	R655 A656 L688 V1169 T1170 T1175 Q1176 S1177	R655-I1173 HydrophobicContact CB-CG2 3.94Å; A656-I1173 HydrophobicContact CB-CD1 4.34Å; L688-I1173 HydrophobicContact CD1-CB 4.15Å; L688-I1173 HydrophobicContact CD1-CD1 4.22Å; L688-I1173 HydrophobicContact CD1-CG2 3.55Å; V1169-I1173 HydrophobicContact CG1-CD1 3.71Å; V1169-I1173 HydrophobicContact CG1-CG1 4.49Å; V1169-I1173 WeakPolarHBondContact O-CG1 3.29Å; V1169-I1173 PolarHBondContact O-N 2.89Å; T1170-I1173 PolarHBondContact O-N 2.98Å; I1173-T1175 PolarHBondContact O-N 3.2Å; I1173-Q1176 CarbonylContact O-C 3.29Å; I1173-Q1176 PolarHBondContact O-N 3.02Å; I1173-Q1176 VanDerWaalsContact O-N 3.17Å; I1173-S1177 PolarHBondContact O-N 3.37Å; I1173-S1177 PolarHBondContact O-OG 2.84Å
1174	R	66.3	Low	60	Low	46 Å²	46	78.6 Å²	78.6	17%	0.174	37%	0.374	C	S	.	.	H	α-helix	trans	-59.4	-45.7	178.4	-172.1	-176.5	68.1	156.5	0.9	112	E901 T1170 S1171 R1172 Q1176 S1177 F1178	E901-R1174 PolarHBondContact O-NH1 3.32Å; T1170-R1174 VanDerWaalsContact O-CB 3.23Å; T1170-R1174 WeakPolarHBondContact O-CB 3.44Å; T1170-R1174 PolarHBondContact O-N 3.49Å; S1171-R1174 PolarHBondContact O-N 2.85Å; R1172-R1174 PolarHBondContact O-N 3.3Å; R1174-Q1176 VanDerWaalsContact C-N 3.32Å; R1174-Q1176 PolarHBondContact O-N 2.88Å; R1174-S1177 PolarHBondContact O-N 3.48Å; R1174-F1178 HydrophobicContact CG-CD2 3.83Å; R1174-F1178 HydrophobicContact CG-CE2 3.58Å; R1174-F1178 WeakPolarHBondContact O-CD2 3.23Å; R1174-F1178 PolarHBondContact O-N 3.31Å
1175	T	67.1	Low	59	Low	88 Å²	88	81.8 Å²	81.8	54%	0.54	39%	0.39	S	S	.	.	H	α-helix	trans	-63.8	-36.7	176.1	-58.7	0	0	0	0	112.3	S1171 R1172 I1173 S1179	S1171-T1175 PolarHBondContact O-N 2.68Å; S1171-T1175 VanDerWaalsContact O-N 3.15Å; S1171-T1175 PolarHBondContact O-OG1 2.7Å; R1172-T1175 PolarHBondContact O-N 2.88Å; I1173-T1175 PolarHBondContact O-N 3.2Å; T1175-S1179 PolarHBondContact O-N 3.15Å; T1175-S1179 PolarHBondContact O-OG 3.34Å
1176	Q	65.6	Low	57.8	Low	100 Å²	100	86.1 Å²	86.1	47%	0.467	41%	0.407	S	S	.	.	H	α-helix	trans	-69.5	-35.6	173.2	-69	175.9	-45.9	0	0	112.2	R1172 I1173 R1174 S1179 L1180	R1172-Q1176 WeakPolarHBondContact O-CG 3.41Å; R1172-Q1176 PolarHBondContact O-N 2.72Å; R1172-Q1176 VanDerWaalsContact O-N 3.15Å; I1173-Q1176 CarbonylContact O-C 3.29Å; I1173-Q1176 PolarHBondContact O-N 3.02Å; I1173-Q1176 VanDerWaalsContact O-N 3.17Å; R1174-Q1176 VanDerWaalsContact C-N 3.32Å; R1174-Q1176 PolarHBondContact O-N 2.88Å; Q1176-S1179 PolarHBondContact O-OG 3.26Å; Q1176-L1180 WeakPolarHBondContact O-CB 3.48Å; Q1176-L1180 WeakPolarHBondContact O-CD1 3.19Å; Q1176-L1180 VanDerWaalsContact O-CG 3.28Å; Q1176-L1180 WeakPolarHBondContact O-CG 3.47Å; Q1176-L1180 PolarHBondContact O-N 3.28Å
1177	S	63.8	Low	56.1	Low	4 Å²	4	85.5 Å²	85.5	3%	0.028	41%	0.413	C	S	.	.	H	α-helix	trans	-70.1	-47.9	177.5	-76.8	0	0	0	0	112.9	R655 D686 I1173 R1174 S1179 L1180 Q1181	R655-S1177 VanDerWaalsContact CD-OG 3.26Å; R655-S1177 WeakPolarHBondContact CD-OG 3.35Å; R655-S1177 PolarHBondContact NH1-OG 3.27Å; R655-S1177 VanDerWaalsContact NH1-OG 3.11Å; D686-S1177 PolarHBondContact OD2-OG 3.25Å; I1173-S1177 PolarHBondContact O-N 3.37Å; I1173-S1177 PolarHBondContact O-OG 2.84Å; R1174-S1177 PolarHBondContact O-N 3.48Å; S1177-S1179 PolarHBondContact O-N 2.97Å; S1177-L1180 PolarHBondContact O-N 2.59Å; S1177-Q1181 WeakPolarHBondContact O-CB 3.21Å; S1177-Q1181 PolarHBondContact O-N 2.83Å
1178	F	64.1	Low	54.7	Low	45 Å²	45	85.5 Å²	85.5	20%	0.197	43%	0.432	C	S	.	.	H	α-helix	trans	-60.3	-46.3	177.5	-80.2	-56.8	0	0	0	112.2	E901 R1174 L1180 Q1181 E1182	E901-F1178 HydrophobicContact CB-CE2 4.49Å; E901-F1178 HydrophobicContact CB-CZ 3.92Å; E901-F1178 HydrophobicContact CG-CZ 4.36Å; R1174-F1178 HydrophobicContact CG-CD2 3.83Å; R1174-F1178 HydrophobicContact CG-CE2 3.58Å; R1174-F1178 WeakPolarHBondContact O-CD2 3.23Å; R1174-F1178 PolarHBondContact O-N 3.31Å; F1178-L1180 VanDerWaalsContact C-N 3.27Å; F1178-L1180 PolarHBondContact O-N 3.15Å; F1178-Q1181 PolarHBondContact O-N 3.05Å; F1178-E1182 PolarHBondContact O-N 3.12Å
1179	S	59.3	Low	53	Low	52 Å²	52	86 Å²	86	36%	0.364	44%	0.442	S	S	.	.	H	α-helix	trans	-65.9	-26.7	179.2	53.3	0	0	0	0	113.7	T1175 Q1176 S1177 R1183	T1175-S1179 PolarHBondContact O-N 3.15Å; T1175-S1179 PolarHBondContact O-OG 3.34Å; Q1176-S1179 PolarHBondContact O-OG 3.26Å; S1177-S1179 PolarHBondContact O-N 2.97Å; S1179-R1183 VanDerWaalsContact O-CG 3.26Å; S1179-R1183 WeakPolarHBondContact O-CG 3.35Å; S1179-R1183 PolarHBondContact O-N 2.93Å
1180	L	55.4	Low	51.4	Low	82 Å²	82	90.8 Å²	90.8	43%	0.429	47%	0.474	S	S	.	.	H	α-helix	trans	-74.6	-37.7	168.9	-75	168.7	0	0	0	112.5	Q1176 S1177 F1178 R1183 Q1184	Q1176-L1180 WeakPolarHBondContact O-CB 3.48Å; Q1176-L1180 WeakPolarHBondContact O-CD1 3.19Å; Q1176-L1180 VanDerWaalsContact O-CG 3.28Å; Q1176-L1180 WeakPolarHBondContact O-CG 3.47Å; Q1176-L1180 PolarHBondContact O-N 3.28Å; S1177-L1180 PolarHBondContact O-N 2.59Å; F1178-L1180 VanDerWaalsContact C-N 3.27Å; F1178-L1180 PolarHBondContact O-N 3.15Å; L1180-R1183 PolarHBondContact O-N 3.29Å; L1180-Q1184 PolarHBondContact O-N 2.73Å
1181	Q	53.7	Low	49.5	Very low	67 Å²	67	102.3 Å²	102.3	31%	0.313	52%	0.517	S	S	.	.	H	α-helix	trans	-69.5	-40.6	178.8	-164.8	170.4	-5.4	0	0	111.5	S1177 F1178 R1183 Q1184 L1185	S1177-Q1181 WeakPolarHBondContact O-CB 3.21Å; S1177-Q1181 PolarHBondContact O-N 2.83Å; F1178-Q1181 PolarHBondContact O-N 3.05Å; Q1181-R1183 VanDerWaalsContact C-N 3.33Å; Q1181-R1183 PolarHBondContact O-N 2.86Å; Q1181-Q1184 PolarHBondContact O-N 2.86Å; Q1181-L1185 HydrophobicContact CG-CD1 4.37Å; Q1181-L1185 WeakPolarHBondContact O-CB 3.43Å; Q1181-L1185 WeakPolarHBondContact O-CG 3.47Å; Q1181-L1185 PolarHBondContact O-N 3.46Å
1182	E	51.5	Low	47.7	Very low	98 Å²	98	103.2 Å²	103.2	46%	0.458	53%	0.528	S	S	.	.	H	α-helix	trans	-60.9	-39.3	170.7	-72.4	-176.1	162.1	0	0	112.4	F1178 L1185 R1186	F1178-E1182 PolarHBondContact O-N 3.12Å; E1182-L1185 PolarHBondContact O-N 2.99Å; E1182-R1186 WeakPolarHBondContact O-CG 3.31Å; E1182-R1186 PolarHBondContact O-N 2.92Å; E1182-R1186 VanDerWaalsContact O-N 3.11Å
1183	R	42.9	Very low	45.7	Very low	193 Å²	193	105.9 Å²	105.9	73%	0.728	54%	0.544	S	S	*	.	H	α-helix	trans	-65.2	-37.7	174.6	-78.4	173.7	176	-163.4	-1.8	112.5	S1179 L1180 Q1181	S1179-R1183 VanDerWaalsContact O-CG 3.26Å; S1179-R1183 WeakPolarHBondContact O-CG 3.35Å; S1179-R1183 PolarHBondContact O-N 2.93Å; L1180-R1183 PolarHBondContact O-N 3.29Å; Q1181-R1183 VanDerWaalsContact C-N 3.33Å; Q1181-R1183 PolarHBondContact O-N 2.86Å
1184	Q	38.9	Very low	43.7	Very low	148 Å²	148	112.1 Å²	112.1	69%	0.692	58%	0.577	S	S	*	*	H	α-helix	trans	-70.6	-39.6	175.1	-73.1	-178.4	-40.1	0	0	112.2	L1180 Q1181 R1186 G1187	L1180-Q1184 PolarHBondContact O-N 2.73Å; Q1181-Q1184 PolarHBondContact O-N 2.86Å; Q1184-R1186 VanDerWaalsContact C-N 3.31Å; Q1184-R1186 PolarHBondContact O-N 2.67Å; Q1184-G1187 PolarHBondContact O-N 3.16Å
1185	L	36.1	Very low	41.8	Very low	141 Å²	141	115.4 Å²	115.4	74%	0.738	61%	0.605	S	S	*	*	H	α-helix	trans	-68.1	-25.5	178.3	-74.9	166	0	0	0	113.8	Q1181 E1182 G1187	Q1181-L1185 HydrophobicContact CG-CD1 4.37Å; Q1181-L1185 WeakPolarHBondContact O-CB 3.43Å; Q1181-L1185 WeakPolarHBondContact O-CG 3.47Å; Q1181-L1185 PolarHBondContact O-N 3.46Å; E1182-L1185 PolarHBondContact O-N 2.99Å; L1185-G1187 PolarHBondContact O-N 3.22Å
1186	R	36.2	Very low	40	Very low	209 Å²	209	117.2 Å²	117.2	79%	0.789	62%	0.618	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.5	-4.6	174.9	-73.3	-179.5	-176	-133.2	2.8	114.5	E1182 Q1184	E1182-R1186 WeakPolarHBondContact O-CG 3.31Å; E1182-R1186 PolarHBondContact O-N 2.92Å; E1182-R1186 VanDerWaalsContact O-N 3.11Å; Q1184-R1186 VanDerWaalsContact C-N 3.31Å; Q1184-R1186 PolarHBondContact O-N 2.67Å
1187	G	28.5	Very low	38.2	Very low	49 Å²	49	116 Å²	116	51%	0.505	63%	0.632	S	S	.	*			trans	82.3	164.4	162.9	0	0	0	0	0	116.2	Q1184 L1185 V1189	Q1184-G1187 PolarHBondContact O-N 3.16Å; L1185-G1187 PolarHBondContact O-N 3.22Å; G1187-V1189 PolarHBondContact O-N 3.1Å
1188	A	30.4	Very low	36.8	Very low	111 Å²	111	121.3 Å²	121.3	92%	0.917	67%	0.669	S	S	*	*			trans	-79.9	110	176.1	0	0	0	0	0	110.5
1189	V	25	Very low	35.2	Very low	123 Å²	123	126.2 Å²	126.2	75%	0.745	70%	0.697	S	S	*	*			trans	-110.4	134	166.2	-173.7	0	0	0	0	107.3	G1187 W1191	G1187-V1189 PolarHBondContact O-N 3.1Å; V1189-W1191 PolarHBondContact O-N 2.78Å
1190	P	28.4	Very low	33.8	Very low	115 Å²	115	128.9 Å²	128.9	75%	0.747	71%	0.712	S	S	*	*			trans	-57.1	132.8	171.5	-22.9	34	0	0	0	110.1	A1192	P1190-A1192 PolarHBondContact O-N 3.48Å
1191	W	25	Very low	32.6	Very low	248 Å²	248	131.9 Å²	131.9	94%	0.939	73%	0.728	S	S	*	*			trans	-68.2	121.3	176.2	54.1	-89.3	0	0	0	109.2	V1189	V1189-W1191 PolarHBondContact O-N 2.78Å
1192	A	28.1	Very low	31.2	Very low	77 Å²	77	134.1 Å²	134.1	64%	0.636	75%	0.751	S	S	*	*			trans	-161.5	97.8	166.1	0	0	0	0	0	107.2	P1190	P1190-A1192 PolarHBondContact O-N 3.48Å
1193	F	25.6	Very low	30.9	Very low	211 Å²	211	139 Å²	139	93%	0.925	79%	0.791	S	S	*	*			trans	169.9	131.3	144.6	-91.6	-59.9	0	0	0	108.5
1194	D	26.7	Very low	30.2	Very low	148 Å²	148	136.3 Å²	136.3	79%	0.791	79%	0.794	S	S	*	*	P	Polyproline II helix	trans	-68.1	155.6	179.2	-67.9	-71.3	0	0	0	112.4
1195	P	25.3	Very low	29.8	Very low	115 Å²	115	135.6 Å²	135.6	75%	0.747	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-67.1	128.7	178.5	27.4	-34.4	0	0	0	111.3
1196	P	29.6	Very low	29.4	Very low	126 Å²	126	135.3 Å²	135.3	82%	0.818	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-63.7	144.6	162.2	29	-33	0	0	0	109.3
1197	G	26.8	Very low	29	Very low	74 Å²	74	131 Å²	131	76%	0.763	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-67.9	170.1	-169.8	0	0	0	0	0	115.1
1198	S	36.2	Very low	29.1	Very low	115 Å²	115	136.1 Å²	136.1	80%	0.804	82%	0.822	S	S	*	*	P	Polyproline II helix	trans	-59.8	135.2	167	50.9	0	0	0	0	111.9
1199	D	30	Very low	29	Very low	148 Å²	148	137.8 Å²	137.8	79%	0.791	82%	0.816	S	S	*	*			trans	-160.1	148.9	135	-116	-30.3	0	0	0	115.9
1200	T	29.2	Very low	29.3	Very low	109 Å²	109	138.9 Å²	138.9	67%	0.669	82%	0.821	S	S	*	*			trans	48.1	112.2	156.9	59.3	0	0	0	0	123.2
1201	N	29.6	Very low	29.4	Very low	145 Å²	145	140.7 Å²	140.7	78%	0.775	83%	0.827	S	S	*	*				44.1	114.7	124	-60.1	-12.3	0	0	0	122.4
1202	S	24.3	Very low	29.7	Very low	114 Å²	114	131.8 Å²	131.8	80%	0.797	82%	0.818	S	S	*	*				59	157	117.1	-58.2	0	0	0	0	122.1
1203	P	45.2	Very low	29.9	Very low	199 Å²	199	136.7 Å²	136.7	100%	1.292	83%	0.834	S	S	*	*			cis	-100.4	0	2.3	38.1	-31.8	0	0	0	115.3

Retrieved 1,203 of 1,203 residues in 311.1 ms (Link to these results)

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