A0A087XSB3_POEFO Loading...

Ubiquitin carboxyl-terminal hydrolase 7

AlphaFold DB , UniProt , Accession A0A087XSB3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 1,110 aa.

						>A0A087XSB3_POEFO|A0A087XSB3
MNHHHTQQQQQKAGEQQLSEPEDMEMEAGETDDPPRIPANPVINGNVAMADGHNNTEEDMEDDTSWRSEATFRFVVERFSRLSESVLSPACFVRNLPWKIMVMPRFYPDRPHQKSVGFFLQCNAESDSTSWSCHAQAMLKIINYKDDEKSFSRRISHLFFHKENDWGFSNFMSWSDVTDPERGFIDDDKVTFEVYVQADAPHGVAWDSKKHTGYVGLKNQGATCYMNSLLQTLFFTNQLRRAVYMMPTEGDDSSKSVPLALQRVFYELQHSDKPVGTKKLTKSFGWETLDSFMQHDVQELCRVLLDNVENKMKGTCVEGTIPKLFRGKMVSYIQCKHVDYRSERIEDYYDIQLSIKGKKNIFESFKDYVATEQLDGDNKYDAGEHGLQEAEKGVKFLTFPPILHLQLMRFMYDPQTDQNIKINDRFEFPDQLPLDEFLQKPDSKDPANYILHAVLVHSGDNHGGHYVVYLNPKGDGKVSVKEPIWCKFDDDVVSRCTKEEAIEHNYGGHDDDLSVRHCTNAYMLVYIRESKLSEVLQPMTDGDIPQQLVERLQEEKRVEAQKRKERQEAHLYMQVQMVTEDQFCGHQGNDMYDEEKVKYTVFKILKSSTLQEFVQNLSQTMGFPQDQMRLWPMQARSNGTKRPAMLDYEADCNKSMIDLSDNENPWTIFLETVDPELAASGATLPKFDKDHDVMLFLKMYDPKTRSLNYCGHIYTPISCKIRDLLPVMCERAGFQQETSLILYEEVKPNLTERIQDYDVSLDKALDELMDGDIIVFQKDDPENDSSELPTAKDYFRDLYHRVDVIFCDKTIHNDPGFVVTLSNRMNYFQVAKTVAQRLNTDPMLLQFFKSQGYRDGPGNPLRHNYDGTLRDLLQFFKPRQPKKLYYQQLKMKITDFENRRSFKCIWLNSQFREEEITLYPDKHGCVRDLLEECKKAVELSENGSEKLRLLEIVSYKIIGVHQEDELLECLSPAASRTFRIEEIPLDQVDLDKDTEMLIPVAHFHKEVFGTFGIPFLLKIRQGEPFREVMRRIQTMLDIQEKEFEKFKFAIVMMGRHQYITEDEYEVNLKDFEPQPGNMSHPRPWLGLDHFNKAPKRGRYTYLEKAIKIHN
					

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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	29.4	Very low	26.2	Very low	243 Å²	243	182.1 Å²	182.1	100%	1.197	88%	0.879	S	S	*	*				0	97.4	0	-78.9	177.4	-173.1	0	0	108.1
2	N	19.8	Very low	26.2	Very low	119 Å²	119	184.4 Å²	184.4	64%	0.636	88%	0.882	S	S	*	*			trans	-164.4	123.6	158.8	-102.9	-13.3	0	0	0	104.2
3	H	24.4	Very low	26.2	Very low	187 Å²	187	178.6 Å²	178.6	87%	0.866	88%	0.883	S	S	*	*				-162.8	109.3	127.6	-94.4	-50.2	0	0	0	108.5
4	H	25.4	Very low	26.2	Very low	189 Å²	189	171.4 Å²	171.4	88%	0.875	88%	0.878	S	S	*	*	P	Polyproline II helix	trans	-92.8	130.5	151.7	-100.8	-56.9	0	0	0	107.6
5	H	28.2	Very low	26.2	Very low	180 Å²	180	173.1 Å²	173.1	83%	0.833	88%	0.88	S	S	*	*	P	Polyproline II helix	trans	-87.8	132.8	166.5	-105.2	-54.6	0	0	0	109.8
6	T	25.9	Very low	26.3	Very low	130 Å²	130	174.6 Å²	174.6	80%	0.798	88%	0.883	S	S	*	*	P	Polyproline II helix	trans	-60.2	130.1	163.5	-2.8	0	0	0	0	110.6
7	Q	28.2	Very low	26.4	Very low	196 Å²	196	175.4 Å²	175.4	92%	0.916	88%	0.882	S	S	*	*			trans	-139	133.3	156	-99.8	-176.7	9.7	0	0	111.1
8	Q	27.1	Very low	26.4	Very low	198 Å²	198	174.8 Å²	174.8	93%	0.925	88%	0.881	S	S	*	*			trans	-75.8	138.1	179.6	-75	169.3	-18.8	0	0	110.8
9	Q	25.6	Very low	26.4	Very low	182 Å²	182	170.8 Å²	170.8	85%	0.85	87%	0.872	S	S	*	*			trans	-73.3	134.5	170.1	-74.7	172.9	-10.5	0	0	111.5
10	Q	26.4	Very low	26.5	Very low	198 Å²	198	172 Å²	172	93%	0.925	87%	0.874	S	S	*	*			trans	-134.5	119.4	145.5	-98.9	-176.5	7.8	0	0	109.1
11	Q	28	Very low	26.7	Very low	181 Å²	181	169.6 Å²	169.6	85%	0.846	87%	0.869	S	S	*	*			trans	-68.8	143	177	-70.7	169	-25.7	0	0	111.8
12	K	26.6	Very low	26.6	Very low	210 Å²	210	167.2 Å²	167.2	91%	0.913	86%	0.856	S	S	*	*			trans	-160.6	124.5	134.8	-109.8	173.8	-174.3	-177	0	110.8
13	A	26.1	Very low	26.9	Very low	109 Å²	109	169.6 Å²	169.6	90%	0.901	87%	0.868	S	S	*	*			trans	-74.1	148.4	178	0	0	0	0	0	112.2
14	G	25.8	Very low	27	Very low	78 Å²	78	169.9 Å²	169.9	80%	0.804	87%	0.872	S	S	*	*			trans	-168.8	93.7	168.6	0	0	0	0	0	109.1
15	E	26.8	Very low	27.1	Very low	197 Å²	197	169.5 Å²	169.5	92%	0.921	87%	0.871	S	S	*	*			trans	-64.2	133.9	172.7	-66.7	171.3	144.6	0	0	110.6
16	Q	27.5	Very low	27.1	Very low	196 Å²	196	170.2 Å²	170.2	92%	0.916	88%	0.877	S	S	*	*			trans	-151.3	115.1	154.6	-109.1	171.8	12.4	0	0	109.8
17	Q	27.8	Very low	27.2	Very low	188 Å²	188	173.6 Å²	173.6	88%	0.879	88%	0.883	S	S	*	*			trans	-65.1	147.4	171.7	-68.5	172.1	-28.2	0	0	111.5
18	L	26.9	Very low	27.3	Very low	165 Å²	165	169.3 Å²	169.3	86%	0.864	88%	0.882	S	S	*	*			trans	-179	102.5	149	-92.4	144.4	0	0	0	107.8
19	S	25.5	Very low	27.3	Very low	100 Å²	100	163.6 Å²	163.6	70%	0.699	88%	0.876	S	S	*	*				72.1	100.7	99.6	72.3	0	0	0	0	115
20	E	28.5	Very low	27.6	Very low	194 Å²	194	163.8 Å²	163.8	91%	0.907	88%	0.877	S	S	*	*			trans	-69.9	155.1	167.7	-63.8	175.1	152.1	0	0	111.9
21	P	31.4	Very low	27.7	Very low	121 Å²	121	161.6 Å²	161.6	79%	0.786	88%	0.877	S	S	*	*			trans	-117.8	133.1	146.1	28.5	-13.6	0	0	0	112.4
22	E	26.1	Very low	27.9	Very low	194 Å²	194	160.7 Å²	160.7	91%	0.907	88%	0.878	S	S	*	*			trans	-40.5	129.8	173.6	-62.6	165.6	155.4	0	0	115.9
23	D	27.1	Very low	27.9	Very low	169 Å²	169	157.7 Å²	157.7	90%	0.904	87%	0.872	S	S	*	*	P	Polyproline II helix	trans	-97.4	126.4	162.1	-89.5	-33.9	0	0	0	110.2
24	M	26.9	Very low	29.2	Very low	192 Å²	192	157.4 Å²	157.4	95%	0.946	86%	0.861	S	S	*	*	P	Polyproline II helix	trans	-82.5	126.4	-179	-120.7	179.4	-104.9	0	0	111.2
25	E	27.8	Very low	30.6	Very low	181 Å²	181	158.9 Å²	158.9	85%	0.846	86%	0.857	S	S	*	*	P	Polyproline II helix	trans	-63.1	149.2	170.1	-67	177.5	142.5	0	0	112.9
26	M	27.5	Very low	30.6	Very low	196 Å²	196	160.6 Å²	160.6	97%	0.966	86%	0.855	S	S	*	*			trans	-132	130.5	152.6	-89.4	-163.1	-88.1	0	0	110.8
27	E	28.3	Very low	30.6	Very low	200 Å²	200	158.7 Å²	158.7	94%	0.935	85%	0.849	S	S	*	*			trans	-68	165.1	-168.6	-68.4	177.4	135.1	0	0	116.2
28	A	29.3	Very low	31.5	Very low	107 Å²	107	155.1 Å²	155.1	88%	0.884	84%	0.842	S	S	*	*			trans	-73.5	163.9	-175.7	0	0	0	0	0	116.2
29	G	26.6	Very low	31.3	Very low	77 Å²	77	151.8 Å²	151.8	79%	0.794	84%	0.838	S	S	*	*			trans	-161.4	108.7	159.6	0	0	0	0	0	112.2
30	E	32	Very low	31.2	Very low	186 Å²	186	154.4 Å²	154.4	87%	0.869	84%	0.844	S	S	*	*			trans	-71.4	156.7	170.6	-67.1	179.8	147.9	0	0	112.3
31	T	30.5	Very low	31.8	Very low	152 Å²	152	150.3 Å²	150.3	93%	0.933	84%	0.835	S	S	*	*			trans	-175.3	142.7	134.7	28.9	0	0	0	0	113.5
32	D	30.7	Very low	31.4	Very low	162 Å²	162	150.7 Å²	150.7	87%	0.866	83%	0.834	S	S	*	*			trans	-74	149.6	-178.7	-92.5	-37	0	0	0	115.8
33	D	26.9	Very low	31.3	Very low	148 Å²	148	147.8 Å²	147.8	79%	0.791	82%	0.824	S	S	*	*			trans	-13.9	177.6	153.9	-99.3	-13.3	0	0	0	121.9
34	P	53.1	Low	31.1	Very low	103 Å²	103	147.1 Å²	147.1	67%	0.669	82%	0.82	S	S	*	*			cis	-139.6	-146.6	-38.5	39.5	-18.1	0	0	0	111.1
35	P	54.8	Low	30.9	Very low	109 Å²	109	141.1 Å²	141.1	71%	0.708	81%	0.808	S	S	*	*				-126.3	171.1	-53.4	31.6	-11.8	0	0	0	116.5
36	R	28.4	Very low	30.6	Very low	233 Å²	233	140.2 Å²	140.2	88%	0.879	81%	0.809	S	S	*	*			trans	83.7	143.7	137.4	-98.6	-179.5	-173.4	-178.3	3.3	124.1
37	I	26	Very low	30.4	Very low	156 Å²	156	137.7 Å²	137.7	80%	0.8	80%	0.804	S	S	*	*			trans	83.8	153.8	159.7	5.2	177.8	0	0	0	120.2
38	P	47.6	Very low	30.1	Very low	113 Å²	113	132.2 Å²	132.2	73%	0.734	79%	0.793	S	S	*	*				-133.4	-168.6	-112.8	45	-24.4	0	0	0	115.3
39	A	22.2	Very low	29.9	Very low	95 Å²	95	135.9 Å²	135.9	79%	0.785	79%	0.794	S	S	*	*			trans	89.1	118.1	151.5	0	0	0	0	0	120.6
40	N	23.8	Very low	29.7	Very low	154 Å²	154	135.6 Å²	135.6	82%	0.824	78%	0.784	S	S	*	*			trans	-39.7	171.8	153.3	-80.4	-15.5	0	0	0	114
41	P	42.2	Very low	29.4	Very low	109 Å²	109	134.9 Å²	134.9	71%	0.708	79%	0.786	S	S	*	*			cis	-147.7	159.1	23.5	18.3	10.9	0	0	0	119.6
42	V	23.1	Very low	29.1	Very low	128 Å²	128	131.4 Å²	131.4	78%	0.776	78%	0.78	S	S	*	*			trans	56.9	138.8	132.5	-153.4	0	0	0	0	122
43	I	23.5	Very low	28.9	Very low	134 Å²	134	132.1 Å²	132.1	69%	0.687	78%	0.778	S	S	*	*			trans	126.5	128.7	131	-64.2	-172.2	0	0	0	116.9
44	N	22.1	Very low	28.6	Very low	155 Å²	155	132.9 Å²	132.9	83%	0.829	78%	0.782	S	S	*	*			trans	74.1	109.6	153.5	-73	-11.4	0	0	0	121.6
45	G	22.3	Very low	27.5	Very low	66 Å²	66	135.1 Å²	135.1	68%	0.68	79%	0.789	S	S	*	*				89.1	109.3	78.1	0	0	0	0	0	117.9
46	N	22.6	Very low	26.2	Very low	162 Å²	162	135.8 Å²	135.8	87%	0.866	79%	0.791	S	S	*	*			trans	64.2	134.7	148	-67.7	-8.4	0	0	0	120.2
47	V	22.3	Very low	26.2	Very low	143 Å²	143	134.3 Å²	134.3	87%	0.867	79%	0.794	S	S	*	*				-175.5	137.1	94.4	158.6	0	0	0	0	109.7
48	A	23.4	Very low	26.3	Very low	85 Å²	85	135.2 Å²	135.2	70%	0.702	80%	0.795	S	S	*	*			trans	-82.2	178.4	178.6	0	0	0	0	0	114.2
49	M	23.3	Very low	25.6	Very low	184 Å²	184	137.3 Å²	137.3	91%	0.906	80%	0.8	S	S	*	*			trans	135.3	143.7	147.5	-72.3	-68.7	-158.3	0	0	110.4
50	A	24	Very low	25.9	Very low	71 Å²	71	141.9 Å²	141.9	59%	0.587	81%	0.807	S	S	*	*			cis	-174.5	158.6	-23.1	0	0	0	0	0	107.4
51	D	24.3	Very low	26.3	Very low	170 Å²	170	143.6 Å²	143.6	91%	0.909	81%	0.81	S	S	*	*			trans	83.2	123.6	150.5	-62.6	-20	0	0	0	123.3
52	G	23.8	Very low	26.2	Very low	79 Å²	79	144.8 Å²	144.8	81%	0.814	81%	0.811	S	S	*	*			trans	144.8	72	139.3	0	0	0	0	0	118.8
53	H	26.5	Very low	27.1	Very low	177 Å²	177	145.9 Å²	145.9	82%	0.819	81%	0.813	S	S	*	*			trans	-10	135	164.6	-72.2	-62.2	0	0	0	121.8
54	N	22.4	Very low	28.2	Very low	165 Å²	165	144 Å²	144	88%	0.882	81%	0.807	S	S	*	*				-163.4	143.4	114.3	-100.1	-16	0	0	0	112.4
55	N	29.9	Very low	29.6	Very low	149 Å²	149	137.6 Å²	137.6	80%	0.797	78%	0.775	S	S	*	*			trans	-65.9	142.5	-174.6	-66.6	-23.7	0	0	0	115.2
56	T	26.4	Very low	31.1	Very low	124 Å²	124	139.2 Å²	139.2	76%	0.761	76%	0.76	S	S	*	*			trans	-163.8	107.1	143.3	39	0	0	0	0	106.1	E58	T56-E58 PolarHBondContact O-N 2.75Å
57	E	29.2	Very low	33.4	Very low	201 Å²	201	136 Å²	136	94%	0.939	74%	0.736	S	S	*	*				43.9	57.5	94.5	-72.9	-170.7	178.4	0	0	114.3
58	E	28.6	Very low	35.7	Very low	175 Å²	175	131.3 Å²	131.3	82%	0.818	71%	0.709	S	S	*	*			trans	-137.1	80.9	156.5	-77.6	-174.2	173.7	0	0	107.9	T56	T56-E58 PolarHBondContact O-N 2.75Å
59	D	32.4	Very low	38.6	Very low	158 Å²	158	131.3 Å²	131.3	85%	0.845	70%	0.695	S	S	*	*			trans	-162.6	76.9	170.2	-96.9	-28.9	0	0	0	108.6
60	M	28.4	Very low	41.6	Very low	190 Å²	190	122.7 Å²	122.7	94%	0.936	65%	0.653	S	S	*	*			trans	-169.1	31.6	165.5	-116.8	177.5	-98.6	0	0	118
61	E	32.3	Very low	44.8	Very low	190 Å²	190	122.8 Å²	122.8	89%	0.888	65%	0.647	S	S	*	*	S	Bend	trans	-116.5	-3.5	178	-84.8	-169.6	168.9	0	0	118.2
62	D	38.9	Very low	48	Very low	135 Å²	135	115.8 Å²	115.8	72%	0.722	61%	0.608	S	S	*	*	S	Bend	trans	-109.2	9.7	-170.2	-140.9	7.2	0	0	0	117.1	W66	D62-W66 PolarHBondContact O-NE1 3.25Å
63	D	42.7	Very low	51.3	Low	151 Å²	151	119.4 Å²	119.4	81%	0.807	60%	0.597	S	S	*	*	S	Bend	trans	-103.6	-2.4	-171.9	-123.4	-5.9	0	0	0	115.3
64	T	46.4	Very low	54.6	Low	94 Å²	94	112.5 Å²	112.5	58%	0.577	57%	0.565	S	S	*	*	S	Bend	trans	-113.1	-9.6	-167.3	62.7	0	0	0	0	116.9	W66 R67	T64-W66 VanDerWaalsContact C-N 3.32Å; T64-W66 PolarHBondContact O-N 3.15Å; T64-R67 WeakPolarHBondContact O-CD 3.45Å; T64-R67 WeakPolarHBondContact O-CG 3.45Å; T64-R67 PolarHBondContact O-NE 2.94Å
65	S	51	Low	58	Low	21 Å²	21	108 Å²	108	15%	0.147	54%	0.543	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.8	-12.6	-177	59.2	0	0	0	0	114.8	N95	S65-N95 PolarHBondContact O-N 2.81Å
66	W	55.2	Low	60.9	Low	99 Å²	99	101.2 Å²	101.2	38%	0.375	51%	0.507	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.5	-9.3	-169.8	-44.4	108.9	0	0	0	115.2	D62 T64 H211	D62-W66 PolarHBondContact O-NE1 3.25Å; T64-W66 VanDerWaalsContact C-N 3.32Å; T64-W66 PolarHBondContact O-N 3.15Å; W66-H211 AromaticContact CE3-CD2 3.92Å; W66-H211 AromaticContact CE3-NE2 3.7Å; W66-H211 AromaticContact CZ3-CD2 3.97Å; W66-H211 AromaticContact CZ3-NE2 3.29Å; W66-H211 VanDerWaalsContact CZ3-NE2 3.29Å; W66-H211 WeakPolarHBondContact CZ3-NE2 3.41Å
67	R	69.6	Low	63.9	Low	96 Å²	96	100.8 Å²	100.8	36%	0.362	50%	0.496	S	S	.	.			trans	-60.6	140.3	-175.9	58.8	-167.3	175.1	169.5	0.5	111.5	T64 E69 A70 C91 V93 R94	T64-R67 WeakPolarHBondContact O-CD 3.45Å; T64-R67 WeakPolarHBondContact O-CG 3.45Å; T64-R67 PolarHBondContact O-NE 2.94Å; R67-E69 VanDerWaalsContact CB-O 3.26Å; R67-E69 WeakPolarHBondContact CB-O 3.42Å; R67-E69 WeakPolarHBondContact CD-O 3.28Å; R67-E69 WeakPolarHBondContact CG-O 3.41Å; R67-A70 HydrophobicContact CG-CB 4.35Å; R67-A70 VanDerWaalsContact NE-CB 3.31Å; R67-C91 PolarHBondContact NH2-SG 2.92Å; R67-V93 WeakPolarHBondContact O-CG1 3.28Å; R67-R94 PolarHBondContact O-N 3.07Å; R67-R94 VanDerWaalsContact O-N 3.15Å
68	S	70.7	Confident	66.7	Low	43 Å²	43	99.7 Å²	99.7	30%	0.301	48%	0.484	S	S	.	.	S	Bend	trans	-74	-17.9	172.8	49.9	0	0	0	0	112.2	Q197 A198	S68-Q197 CarbonylContact O-C 3.28Å; S68-Q197 WeakPolarHBondContact O-CA 3.46Å; S68-A198 PolarHBondContact O-N 3.5Å
69	E	84.4	Confident	69.5	Low	85 Å²	85	91.3 Å²	91.3	40%	0.397	45%	0.445	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	153.7	-179.6	59.5	177	-152.9	0	0	111	R67 Y195 V196 Q197	R67-E69 VanDerWaalsContact CB-O 3.26Å; R67-E69 WeakPolarHBondContact CB-O 3.42Å; R67-E69 WeakPolarHBondContact CD-O 3.28Å; R67-E69 WeakPolarHBondContact CG-O 3.41Å; E69-Y195 HydrophobicContact CB-CE2 3.99Å; E69-Y195 HydrophobicContact CG-CE2 4.34Å; E69-Y195 PolarHBondContact OE2-OH 3.31Å; E69-V196 CarbonylContact C-O 3.53Å; E69-V196 WeakPolarHBondContact CA-O 3.21Å; E69-V196 WeakPolarHBondContact CB-O 3.27Å; E69-Q197 HydrophobicContact CB-CB 4.18Å; E69-Q197 HydrophobicContact CB-CG 4.29Å
70	A	87.2	Confident	71.9	Confident	4 Å²	4	86.4 Å²	86.4	3%	0.033	42%	0.422	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.8	142.6	176.3	0	0	0	0	0	110.9	R67 F72 V93 Y195 V196	R67-A70 HydrophobicContact CG-CB 4.35Å; R67-A70 VanDerWaalsContact NE-CB 3.31Å; A70-F72 HydrophobicContact CB-CD1 4.38Å; A70-V93 HydrophobicContact CB-CG2 3.43Å; A70-V93 VanDerWaalsContact CB-CG2 3.43Å; A70-Y195 CarbonylContact O-C 3.54Å; A70-Y195 VanDerWaalsContact O-CA 3.31Å; A70-Y195 WeakPolarHBondContact O-CA 3.1Å; A70-V196 HydrophobicContact CB-CG1 4.31Å; A70-V196 PolarHBondContact N-O 2.83Å; A70-V196 PolarHBondContact O-N 2.82Å
71	T	90.3	Very high	74.6	Confident	73 Å²	73	86.9 Å²	86.9	45%	0.448	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	127.8	161	-51.5	0	0	0	0	108.9	E193 V194 Y195	T71-E193 HydrophobicContact CG2-CG 3.69Å; T71-V194 CarbonylContact C-O 3.59Å; T71-V194 VanDerWaalsContact CA-O 3.29Å; T71-V194 WeakPolarHBondContact CA-O 3.29Å; T71-Y195 VanDerWaalsContact OG1-CD2 3.3Å; T71-Y195 WeakPolarHBondContact OG1-CD2 3.19Å
72	F	92.7	Very high	77.2	Confident	23 Å²	23	78.9 Å²	78.9	10%	0.101	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	153.9	175.4	61.2	-78.3	0	0	0	111.2	A70 C91 W98 I100 L120 V194 V196	A70-F72 HydrophobicContact CB-CD1 4.38Å; F72-C91 HydrophobicContact CB-CB 4.15Å; F72-C91 HydrophobicContact CD1-CB 3.62Å; F72-C91 WeakPolarHBondContact CD1-SG 3.26Å; F72-C91 HydrophobicContact CD2-CB 3.67Å; F72-C91 HydrophobicContact CE1-CB 3.81Å; F72-C91 HydrophobicContact CE2-CB 3.84Å; F72-C91 HydrophobicContact CG-CB 3.55Å; F72-C91 HydrophobicContact CZ-CB 3.92Å; F72-W98 HydrophobicContact CE1-CB 4.38Å; F72-W98 HydrophobicContact CZ-CB 3.99Å; F72-I100 HydrophobicContact CD2-CD1 3.91Å; F72-I100 HydrophobicContact CD2-CG1 4.26Å; F72-I100 HydrophobicContact CE2-CD1 3.87Å; F72-I100 HydrophobicContact CE2-CG1 3.69Å; F72-I100 HydrophobicContact CZ-CG1 4.33Å; F72-L120 HydrophobicContact CZ-CD1 3.98Å; F72-V194 HydrophobicContact CE1-CB 4.33Å; F72-V194 HydrophobicContact CE1-CG1 4.27Å; F72-V194 HydrophobicContact CZ-CB 4.35Å; F72-V194 HydrophobicContact CZ-CG1 4.45Å; F72-V194 PolarHBondContact N-O 2.88Å; F72-V194 PolarHBondContact O-N 2.88Å; F72-V196 HydrophobicContact CE1-CG1 3.87Å
73	R	92.9	Very high	79.2	Confident	155 Å²	155	76.7 Å²	76.7	59%	0.585	37%	0.372	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-122.1	149.9	-172.7	-64.9	-179.3	-179.2	177.8	-2.7	111.2	T191 F192 E193	R73-T191 HydrophobicContact CB-CG2 4.32Å; R73-F192 CarbonylContact C-O 3.55Å; R73-F192 WeakPolarHBondContact CA-O 3.32Å; R73-E193 HydrophobicContact CG-CB 3.97Å; R73-E193 HydrophobicContact CG-CG 3.93Å; R73-E193 IonicContact CZ-OE2 3.64Å; R73-E193 IonicContact NE-OE2 3.32Å; R73-E193 PolarHBondContact NE-OE2 2.91Å; R73-E193 IonicContact NH2-OE2 2.94Å; R73-E193 PolarHBondContact NH2-OE2 2.87Å
74	F	95.3	Very high	81.2	Confident	32 Å²	32	76.5 Å²	76.5	14%	0.14	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	119.7	174.5	-178	-132.1	0	0	0	110.1	V76 V86 L87 S88 I100 F192	F74-V76 HydrophobicContact CD1-CG2 3.74Å; F74-V76 HydrophobicContact CE1-CG2 3.46Å; F74-V76 VanDerWaalsContact CE1-CG2 3.46Å; F74-V76 HydrophobicContact CZ-CG2 4.13Å; F74-V86 HydrophobicContact CE1-CB 4.26Å; F74-V86 HydrophobicContact CE1-CG2 3.93Å; F74-V86 HydrophobicContact CZ-CB 4.31Å; F74-V86 HydrophobicContact CZ-CG2 4.39Å; F74-L87 WeakPolarHBondContact CZ-O 3.42Å; F74-S88 VanDerWaalsContact CG-CB 3.49Å; F74-I100 HydrophobicContact CB-CB 4.12Å; F74-I100 HydrophobicContact CB-CD1 3.84Å; F74-I100 HydrophobicContact CB-CG2 4.08Å; F74-I100 HydrophobicContact CD1-CB 4.42Å; F74-I100 HydrophobicContact CD1-CG2 3.91Å; F74-I100 HydrophobicContact CG-CG2 4.44Å; F74-F192 PolarHBondContact N-O 3.36Å; F74-F192 PolarHBondContact O-N 3.22Å
75	V	93.5	Very high	83.3	Confident	70 Å²	70	75.4 Å²	75.4	42%	0.424	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	116.7	177.3	-174.7	0	0	0	0	108.3	K189 T191	V75-K189 HydrophobicContact CG1-CB 4.02Å; V75-K189 HydrophobicContact CG1-CD 4.34Å; V75-T191 HydrophobicContact CG2-CG2 4.23Å
76	V	90.8	Very high	85.3	Confident	7 Å²	7	76.5 Å²	76.5	4%	0.042	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	113.3	174.4	-177.5	0	0	0	0	108.5	F74 F79 L82 V86 K189 V190 F192	F74-V76 HydrophobicContact CD1-CG2 3.74Å; F74-V76 HydrophobicContact CE1-CG2 3.46Å; F74-V76 VanDerWaalsContact CE1-CG2 3.46Å; F74-V76 HydrophobicContact CZ-CG2 4.13Å; V76-F79 HydrophobicContact CB-CD2 4.02Å; V76-F79 HydrophobicContact CG1-CD2 3.83Å; V76-L82 HydrophobicContact CG1-CD2 4.49Å; V76-V86 HydrophobicContact CG1-CG2 4.22Å; V76-V86 HydrophobicContact CG2-CG2 4.01Å; V76-K189 WeakPolarHBondContact O-CA 3.45Å; V76-V190 PolarHBondContact N-O 3.3Å; V76-V190 PolarHBondContact O-N 2.81Å; V76-F192 HydrophobicContact CB-CE2 4.27Å; V76-F192 HydrophobicContact CG2-CD2 3.92Å; V76-F192 HydrophobicContact CG2-CE2 3.81Å
77	E	89.8	Confident	87.1	Confident	115 Å²	115	75.5 Å²	75.5	54%	0.537	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	154.7	174.8	-56.1	-165.2	143.6	0	0	111.7	F79 K189	E77-F79 PolarHBondContact O-N 3Å; E77-K189 HydrophobicContact CG-CD 4.13Å; E77-K189 HydrophobicContact CG-CG 4.32Å; E77-K189 WeakPolarHBondContact OE1-CE 3.46Å; E77-K189 IonicContact OE1-NZ 2.75Å; E77-K189 PolarHBondContact OE1-NZ 2.82Å
78	R	87.3	Confident	88.2	Confident	177 Å²	177	71.2 Å²	71.2	67%	0.668	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.2	38	-177.6	-62.2	179.4	-75.9	178.5	-3.9	112.1	S80 R81 D188	R78-S80 VanDerWaalsContact C-N 3.26Å; R78-S80 PolarHBondContact O-N 3.05Å; R78-R81 PolarHBondContact O-N 3.09Å; R78-D188 WeakPolarHBondContact CA-O 3.14Å; R78-D188 VanDerWaalsContact CA-OD2 3.28Å; R78-D188 WeakPolarHBondContact CA-OD2 3.45Å; R78-D188 PolarHBondContact N-O 3.3Å
79	F	88.6	Confident	89	Confident	0 Å²	0	74.1 Å²	74.1	0%	0	37%	0.373	C	S	.	.	G	3₁₀ helix	trans	-56.9	-39.9	-169.4	-175.3	-97.4	0	0	0	112.1	V76 E77 R81 L82 V102 V116 W174 V177 T178 I185 D188 V190 F192	V76-F79 HydrophobicContact CB-CD2 4.02Å; V76-F79 HydrophobicContact CG1-CD2 3.83Å; E77-F79 PolarHBondContact O-N 3Å; F79-R81 PolarHBondContact O-N 3.24Å; F79-L82 HydrophobicContact CD2-CD2 4.41Å; F79-L82 HydrophobicContact CE2-CD2 4.19Å; F79-L82 VanDerWaalsContact O-CB 3.29Å; F79-L82 WeakPolarHBondContact O-CB 3.44Å; F79-L82 PolarHBondContact O-N 3.23Å; F79-V102 HydrophobicContact CE2-CG1 4.13Å; F79-V116 HydrophobicContact CE1-CG2 4.16Å; F79-V116 HydrophobicContact CZ-CG1 4.08Å; F79-V116 HydrophobicContact CZ-CG2 3.67Å; F79-W174 HydrophobicContact CD1-CH2 4.27Å; F79-W174 HydrophobicContact CD1-CZ2 4.12Å; F79-W174 HydrophobicContact CE1-CD2 4.37Å; F79-W174 HydrophobicContact CE1-CE3 4.31Å; F79-W174 AromaticContact CE1-CH2 3.74Å; F79-W174 HydrophobicContact CE1-CH2 3.74Å; F79-W174 AromaticContact CE1-CZ2 3.85Å; F79-W174 HydrophobicContact CE1-CZ2 3.85Å; F79-W174 AromaticContact CE1-CZ3 4Å; F79-W174 HydrophobicContact CE1-CZ3 4Å; F79-W174 HydrophobicContact CE2-CH2 4.25Å; F79-W174 HydrophobicContact CZ-CE3 4.35Å; F79-W174 AromaticContact CZ-CH2 3.73Å; F79-W174 HydrophobicContact CZ-CH2 3.73Å; F79-W174 HydrophobicContact CZ-CZ2 4.33Å; F79-W174 AromaticContact CZ-CZ3 3.77Å; F79-W174 HydrophobicContact CZ-CZ3 3.77Å; F79-W174 WeakPolarHBondContact O-CZ2 3.34Å; F79-V177 HydrophobicContact CD1-CG1 4.15Å; F79-V177 HydrophobicContact CE1-CB 4.27Å; F79-V177 HydrophobicContact CE1-CG1 3.59Å; F79-V177 HydrophobicContact CZ-CG1 4.13Å; F79-T178 HydrophobicContact CD1-CG2 4.04Å; F79-T178 HydrophobicContact CE1-CG2 4.28Å; F79-I185 HydrophobicContact CB-CD1 4.5Å; F79-D188 PolarHBondContact N-O 2.97Å; F79-D188 PolarHBondContact N-OD1 2.81Å; F79-V190 HydrophobicContact CB-CB 4.37Å; F79-V190 HydrophobicContact CB-CG2 3.76Å; F79-V190 HydrophobicContact CD1-CB 4.49Å; F79-V190 HydrophobicContact CD1-CG2 3.6Å; F79-V190 HydrophobicContact CD2-CB 4.01Å; F79-V190 HydrophobicContact CD2-CG2 3.97Å; F79-V190 HydrophobicContact CE1-CG2 4.18Å; F79-V190 HydrophobicContact CE2-CB 4.45Å; F79-V190 HydrophobicContact CG-CB 4.03Å; F79-V190 HydrophobicContact CG-CG2 3.48Å; F79-V190 VanDerWaalsContact CG-CG2 3.48Å; F79-F192 HydrophobicContact CD2-CE2 4.32Å; F79-F192 AromaticContact CE2-CE2 3.92Å; F79-F192 HydrophobicContact CE2-CE2 3.92Å; F79-F192 AromaticContact CE2-CZ 3.7Å; F79-F192 HydrophobicContact CE2-CZ 3.7Å; F79-F192 HydrophobicContact CZ-CZ 4.18Å
80	S	82.5	Confident	89.2	Confident	54 Å²	54	71.9 Å²	71.9	38%	0.378	37%	0.369	S	S	.	.	G	3₁₀ helix	trans	-55.1	-26.5	178.3	65.6	0	0	0	0	114	R78 D188	R78-S80 VanDerWaalsContact C-N 3.26Å; R78-S80 PolarHBondContact O-N 3.05Å; S80-D188 WeakPolarHBondContact CB-OD1 3.41Å; S80-D188 PolarHBondContact N-OD1 3.45Å; S80-D188 PolarHBondContact OG-OD1 3.22Å; S80-D188 PolarHBondContact OG-OD2 3.28Å
81	R	84.4	Confident	89.2	Confident	201 Å²	201	72.2 Å²	72.2	76%	0.758	37%	0.371	S	S	*	.	G	3₁₀ helix	trans	-100	1.8	-177.9	-58.1	-174.9	-173.8	-173.7	2.1	114.3	R78 F79 S83	R78-R81 PolarHBondContact O-N 3.09Å; F79-R81 PolarHBondContact O-N 3.24Å; R81-S83 PolarHBondContact O-N 3.04Å
82	L	86.4	Confident	88.8	Confident	21 Å²	21	73.3 Å²	73.3	11%	0.11	37%	0.37	C	S	.	.			trans	-64.2	121.5	-178.2	-176.4	76	0	0	0	110.9	V76 F79 E84 V86 V102 K114 W174	V76-L82 HydrophobicContact CG1-CD2 4.49Å; F79-L82 HydrophobicContact CD2-CD2 4.41Å; F79-L82 HydrophobicContact CE2-CD2 4.19Å; F79-L82 VanDerWaalsContact O-CB 3.29Å; F79-L82 WeakPolarHBondContact O-CB 3.44Å; F79-L82 PolarHBondContact O-N 3.23Å; L82-E84 WeakPolarHBondContact CD1-O 3.45Å; L82-E84 WeakPolarHBondContact CG-O 3.35Å; L82-V86 HydrophobicContact CD1-CB 4.47Å; L82-V86 HydrophobicContact CD1-CG1 3.66Å; L82-V86 HydrophobicContact CD1-CG2 3.97Å; L82-V86 HydrophobicContact CD2-CG2 4.24Å; L82-V102 HydrophobicContact CD2-CG1 4.3Å; L82-K114 PolarHBondContact O-NZ 3.21Å; L82-K114 VanDerWaalsContact O-NZ 3.09Å; L82-W174 HydrophobicContact CB-CH2 3.99Å; L82-W174 HydrophobicContact CB-CZ2 4.48Å; L82-W174 HydrophobicContact CD2-CH2 4.24Å
83	S	81.9	Confident	88.3	Confident	90 Å²	90	72.2 Å²	72.2	63%	0.629	37%	0.365	S	S	*	.			trans	-114.4	-25.5	-179.4	55.6	0	0	0	0	113.7	R81 P104	R81-S83 PolarHBondContact O-N 3.04Å; S83-P104 WeakPolarHBondContact O-CG 3.41Å
84	E	85.4	Confident	87.4	Confident	146 Å²	146	66.2 Å²	66.2	68%	0.682	34%	0.342	S	S	*	.	S	Bend	trans	-121	173.3	-177.4	-65.5	-176.2	176	0	0	111.1	L82 P104	L82-E84 WeakPolarHBondContact CD1-O 3.45Å; L82-E84 WeakPolarHBondContact CG-O 3.35Å; E84-P104 WeakPolarHBondContact O-CD 3.28Å
85	S	90.3	Very high	86.4	Confident	72 Å²	72	68.3 Å²	68.3	50%	0.503	36%	0.355	S	S	.	.			trans	-72.3	142.9	174	52	0	0	0	0	111.4	V102	S85-V102 WeakPolarHBondContact CA-O 3.35Å
86	V	92.6	Very high	85.9	Confident	43 Å²	43	65.1 Å²	65.1	26%	0.261	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	141.6	173.5	-73.3	0	0	0	0	109.9	F74 V76 L82 M101 V102	F74-V86 HydrophobicContact CE1-CB 4.26Å; F74-V86 HydrophobicContact CE1-CG2 3.93Å; F74-V86 HydrophobicContact CZ-CB 4.31Å; F74-V86 HydrophobicContact CZ-CG2 4.39Å; V76-V86 HydrophobicContact CG1-CG2 4.22Å; V76-V86 HydrophobicContact CG2-CG2 4.01Å; L82-V86 HydrophobicContact CD1-CB 4.47Å; L82-V86 HydrophobicContact CD1-CG1 3.66Å; L82-V86 HydrophobicContact CD1-CG2 3.97Å; L82-V86 HydrophobicContact CD2-CG2 4.24Å; V86-M101 WeakPolarHBondContact O-CA 3.39Å; V86-V102 HydrophobicContact CG2-CB 4.07Å; V86-V102 WeakPolarHBondContact CG2-O 3.41Å; V86-V102 PolarHBondContact N-O 2.63Å; V86-V102 PolarHBondContact O-N 3.16Å
87	L	91.9	Very high	85.8	Confident	78 Å²	78	65.8 Å²	65.8	41%	0.408	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	141.8	180	-71.9	166.6	0	0	0	110.3	F74 K99 I100 M101	F74-L87 WeakPolarHBondContact CZ-O 3.42Å; L87-K99 HydrophobicContact CB-CD 4.5Å; L87-K99 HydrophobicContact CD2-CB 4.19Å; L87-I100 CarbonylContact C-O 3.47Å; L87-I100 WeakPolarHBondContact CA-O 3.43Å; L87-M101 HydrophobicContact CD2-CB 3.52Å; L87-M101 HydrophobicContact CD2-CG 3.73Å; L87-M101 HydrophobicContact CD2-SD 4.18Å
88	S	92.6	Very high	85.9	Confident	7 Å²	7	60.3 Å²	60.3	5%	0.049	31%	0.314	C	S	.	.	P	Polyproline II helix	trans	-73.2	163.5	169.7	76.5	0	0	0	0	111.9	F74 I100	F74-S88 VanDerWaalsContact CG-CB 3.49Å; S88-I100 PolarHBondContact N-O 3.13Å; S88-I100 PolarHBondContact OG-N 2.74Å
89	P	89.5	Confident	86.3	Confident	103 Å²	103	53.4 Å²	53.4	67%	0.669	29%	0.289	S	S	*	.	P	Polyproline II helix	trans	-51.8	150.4	159.1	-24	34.7	0	0	0	111.2	C91	P89-C91 PolarHBondContact O-N 3.12Å
90	A	86.9	Confident	86.6	Confident	39 Å²	39	53.4 Å²	53.4	32%	0.322	29%	0.289	S	S	.	.	P	Polyproline II helix	trans	-70	127.3	179.2	0	0	0	0	0	110.8	F92 P97 W98 K99	A90-F92 HydrophobicContact CB-CE2 4.18Å; A90-P97 HydrophobicContact CB-CB 3.89Å; A90-W98 WeakPolarHBondContact CA-O 3.43Å; A90-K99 HydrophobicContact CB-CG 4.27Å
91	C	88.3	Confident	87.1	Confident	11 Å²	11	51.7 Å²	51.7	7%	0.074	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	121.9	165.4	172.3	0	0	0	0	108.5	R67 F72 P89 W98	R67-C91 PolarHBondContact NH2-SG 2.92Å; F72-C91 HydrophobicContact CB-CB 4.15Å; F72-C91 HydrophobicContact CD1-CB 3.62Å; F72-C91 WeakPolarHBondContact CD1-SG 3.26Å; F72-C91 HydrophobicContact CD2-CB 3.67Å; F72-C91 HydrophobicContact CE1-CB 3.81Å; F72-C91 HydrophobicContact CE2-CB 3.84Å; F72-C91 HydrophobicContact CG-CB 3.55Å; F72-C91 HydrophobicContact CZ-CB 3.92Å; P89-C91 PolarHBondContact O-N 3.12Å; C91-W98 PolarHBondContact N-O 2.87Å; C91-W98 WeakPolarHBondContact O-CB 3.47Å; C91-W98 PolarHBondContact O-N 3.02Å
92	F	82.3	Confident	87.6	Confident	96 Å²	96	42.1 Å²	42.1	42%	0.421	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	127	179.5	-71.1	-92.9	0	0	0	111.3	A90 L96 P97	A90-F92 HydrophobicContact CB-CE2 4.18Å; F92-L96 WeakPolarHBondContact CA-O 3.31Å; F92-P97 HydrophobicContact CE1-CB 4.04Å; F92-P97 HydrophobicContact CZ-CB 4.28Å
93	V	80.9	Confident	87.9	Confident	0 Å²	0	42.3 Å²	42.3	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	128.2	174.7	-171.9	0	0	0	0	107.2	R67 A70 N95 L96 W98 V196 A198	R67-V93 WeakPolarHBondContact O-CG1 3.28Å; A70-V93 HydrophobicContact CB-CG2 3.43Å; A70-V93 VanDerWaalsContact CB-CG2 3.43Å; V93-N95 PolarHBondContact O-N 3.15Å; V93-L96 PolarHBondContact N-O 3.01Å; V93-L96 VanDerWaalsContact N-O 3.12Å; V93-L96 PolarHBondContact O-N 2.76Å; V93-W98 HydrophobicContact CB-CG 4.49Å; V93-W98 HydrophobicContact CG2-CG 4.46Å; V93-W98 PolarHBondContact O-NE1 2.84Å; V93-V196 HydrophobicContact CG2-CG1 3.88Å; V93-A198 HydrophobicContact CG1-CB 3.98Å
94	R	75.1	Confident	88.2	Confident	29 Å²	29	38.6 Å²	38.6	11%	0.109	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	50.4	36.5	-171	-60.9	-67.5	-165.2	177.7	2.6	113.5	R67 L96 A198	R67-R94 PolarHBondContact O-N 3.07Å; R67-R94 VanDerWaalsContact O-N 3.15Å; R94-L96 PolarHBondContact O-N 3.26Å; R94-A198 HydrophobicContact CG-CB 4.13Å; R94-A198 WeakPolarHBondContact CG-O 3.37Å; R94-A198 PolarHBondContact NE-O 3.23Å; R94-A198 VanDerWaalsContact NE-O 3.09Å
95	N	74.3	Confident	88.2	Confident	76 Å²	76	35.9 Å²	35.9	41%	0.406	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.8	18.5	-177.5	-152.1	35.7	0	0	0	115.2	S65 V93	S65-N95 PolarHBondContact O-N 2.81Å; V93-N95 PolarHBondContact O-N 3.15Å
96	L	82.6	Confident	87.7	Confident	3 Å²	3	38.6 Å²	38.6	2%	0.016	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	144.9	168.8	-67.6	-173.6	0	0	0	110.4	F92 V93 R94 N123 W131 C133 P201 V204	F92-L96 WeakPolarHBondContact CA-O 3.31Å; V93-L96 PolarHBondContact N-O 3.01Å; V93-L96 VanDerWaalsContact N-O 3.12Å; V93-L96 PolarHBondContact O-N 2.76Å; R94-L96 PolarHBondContact O-N 3.26Å; L96-N123 HydrophobicContact CD1-CB 4.44Å; L96-N123 HydrophobicContact CD2-CB 4.07Å; L96-W131 HydrophobicContact CD1-CE3 4.36Å; L96-W131 HydrophobicContact CD1-CZ3 4.41Å; L96-C133 HydrophobicContact CD1-CB 3.61Å; L96-P201 HydrophobicContact CD1-CB 3.72Å; L96-P201 HydrophobicContact CD1-CG 4.27Å; L96-P201 HydrophobicContact CG-CB 4.19Å; L96-P201 HydrophobicContact CG-CG 4.22Å; L96-V204 HydrophobicContact CD2-CG1 4.45Å; L96-V204 HydrophobicContact CD2-CG2 4.24Å
97	P	88.6	Confident	86.7	Confident	20 Å²	20	40.4 Å²	40.4	13%	0.13	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	122.2	175.6	30.9	-31.7	0	0	0	110.7	A90 F92 C122 N123	A90-P97 HydrophobicContact CB-CB 3.89Å; F92-P97 HydrophobicContact CE1-CB 4.04Å; F92-P97 HydrophobicContact CZ-CB 4.28Å; P97-C122 WeakPolarHBondContact O-CA 3.34Å; P97-N123 PolarHBondContact O-N 2.9Å
98	W	91.9	Very high	85	Confident	0 Å²	0	42.6 Å²	42.6	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	133.7	175.2	-62	78.4	0	0	0	110.8	F72 A90 C91 V93 L120 Q121 C122 A135 F159 V196 A198	F72-W98 HydrophobicContact CE1-CB 4.38Å; F72-W98 HydrophobicContact CZ-CB 3.99Å; A90-W98 WeakPolarHBondContact CA-O 3.43Å; C91-W98 PolarHBondContact N-O 2.87Å; C91-W98 WeakPolarHBondContact O-CB 3.47Å; C91-W98 PolarHBondContact O-N 3.02Å; V93-W98 HydrophobicContact CB-CG 4.49Å; V93-W98 HydrophobicContact CG2-CG 4.46Å; V93-W98 PolarHBondContact O-NE1 2.84Å; W98-L120 HydrophobicContact CB-CD1 4.43Å; W98-L120 HydrophobicContact CE3-CD1 3.98Å; W98-L120 HydrophobicContact CE3-CD2 3.65Å; W98-L120 HydrophobicContact CE3-CG 3.71Å; W98-L120 HydrophobicContact CZ3-CD2 3.74Å; W98-L120 HydrophobicContact CZ3-CG 4.07Å; W98-Q121 CarbonylContact C-O 3.39Å; W98-Q121 VanDerWaalsContact CA-O 3.3Å; W98-Q121 WeakPolarHBondContact CA-O 3.47Å; W98-C122 HydrophobicContact CD2-CB 3.99Å; W98-C122 HydrophobicContact CE3-CB 3.67Å; W98-C122 HydrophobicContact CH2-CB 3.78Å; W98-C122 HydrophobicContact CZ2-CB 4.12Å; W98-C122 WeakPolarHBondContact CZ2-SG 3.47Å; W98-C122 HydrophobicContact CZ3-CB 3.57Å; W98-A135 HydrophobicContact CH2-CB 3.26Å; W98-A135 HydrophobicContact CZ2-CB 4Å; W98-A135 HydrophobicContact CZ3-CB 3.9Å; W98-F159 AromaticContact CH2-CD2 3.73Å; W98-F159 HydrophobicContact CH2-CD2 3.73Å; W98-F159 AromaticContact CH2-CE2 3.97Å; W98-F159 HydrophobicContact CH2-CE2 3.97Å; W98-F159 HydrophobicContact CH2-CG 4.24Å; W98-F159 HydrophobicContact CZ3-CD1 4.5Å; W98-F159 AromaticContact CZ3-CD2 3.86Å; W98-F159 HydrophobicContact CZ3-CD2 3.86Å; W98-F159 HydrophobicContact CZ3-CE1 4.35Å; W98-F159 AromaticContact CZ3-CE2 3.71Å; W98-F159 HydrophobicContact CZ3-CE2 3.71Å; W98-F159 HydrophobicContact CZ3-CG 4.26Å; W98-F159 AromaticContact CZ3-CZ 3.97Å; W98-F159 HydrophobicContact CZ3-CZ 3.97Å; W98-V196 HydrophobicContact CD2-CG2 4.28Å; W98-V196 HydrophobicContact CE3-CG2 3.97Å; W98-V196 HydrophobicContact CH2-CG2 4.27Å; W98-V196 HydrophobicContact CZ3-CG2 3.96Å; W98-A198 HydrophobicContact CH2-CB 4.32Å; W98-A198 HydrophobicContact CZ2-CB 3.61Å
99	K	94.8	Very high	83.4	Confident	32 Å²	32	49.7 Å²	49.7	14%	0.139	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	141	-179	-62.3	-179.8	-173.8	177.1	0	111.1	L87 A90 Q121 E125	L87-K99 HydrophobicContact CB-CD 4.5Å; L87-K99 HydrophobicContact CD2-CB 4.19Å; A90-K99 HydrophobicContact CB-CG 4.27Å; K99-Q121 PolarHBondContact N-O 2.78Å; K99-Q121 PolarHBondContact O-N 2.95Å; K99-E125 IonicContact NZ-OE1 2.84Å; K99-E125 PolarHBondContact NZ-OE1 3.44Å
100	I	95.6	Very high	82.2	Confident	0 Å²	0	52.6 Å²	52.6	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	124.3	167.4	-72.7	164.9	0	0	0	107.9	F72 F74 L87 S88 V102 F118 F192 V194	F72-I100 HydrophobicContact CD2-CD1 3.91Å; F72-I100 HydrophobicContact CD2-CG1 4.26Å; F72-I100 HydrophobicContact CE2-CD1 3.87Å; F72-I100 HydrophobicContact CE2-CG1 3.69Å; F72-I100 HydrophobicContact CZ-CG1 4.33Å; F74-I100 HydrophobicContact CB-CB 4.12Å; F74-I100 HydrophobicContact CB-CD1 3.84Å; F74-I100 HydrophobicContact CB-CG2 4.08Å; F74-I100 HydrophobicContact CD1-CB 4.42Å; F74-I100 HydrophobicContact CD1-CG2 3.91Å; F74-I100 HydrophobicContact CG-CG2 4.44Å; L87-I100 CarbonylContact C-O 3.47Å; L87-I100 WeakPolarHBondContact CA-O 3.43Å; S88-I100 PolarHBondContact N-O 3.13Å; S88-I100 PolarHBondContact OG-N 2.74Å; I100-V102 HydrophobicContact CG2-CG2 3.8Å; I100-F118 HydrophobicContact CB-CE2 4.43Å; I100-F118 HydrophobicContact CG1-CE2 4.28Å; I100-F118 HydrophobicContact CG2-CD2 4.14Å; I100-F118 HydrophobicContact CG2-CE2 3.53Å; I100-F118 HydrophobicContact CG2-CZ 4.39Å; I100-F192 HydrophobicContact CG2-CB 4.16Å; I100-V194 HydrophobicContact CD1-CB 4.11Å; I100-V194 HydrophobicContact CD1-CG2 3.83Å; I100-V194 HydrophobicContact CG1-CB 4.09Å; I100-V194 HydrophobicContact CG1-CG2 3.55Å
101	M	93.9	Very high	80.7	Confident	18 Å²	18	55.4 Å²	55.4	9%	0.089	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	122	174.3	-174.2	171.5	61.5	0	0	110.3	V86 L87 F119 D165	V86-M101 WeakPolarHBondContact O-CA 3.39Å; L87-M101 HydrophobicContact CD2-CB 3.52Å; L87-M101 HydrophobicContact CD2-CG 3.73Å; L87-M101 HydrophobicContact CD2-SD 4.18Å; M101-F119 HydrophobicContact CB-CB 4.22Å; M101-F119 HydrophobicContact CE-CB 3.74Å; M101-F119 HydrophobicContact CE-CD2 4.09Å; M101-F119 HydrophobicContact CE-CG 3.94Å; M101-F119 PolarHBondContact N-O 3.03Å; M101-F119 PolarHBondContact O-N 2.96Å; M101-D165 HydrophobicContact CE-CB 3.9Å; M101-D165 WeakPolarHBondContact CE-OD2 3.46Å
102	V	93.4	Very high	79.2	Confident	0 Å²	0	64 Å²	64	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	133.3	178.6	-179	0	0	0	0	109.2	F79 L82 S85 V86 I100 V116 G117 F118 F192	F79-V102 HydrophobicContact CE2-CG1 4.13Å; L82-V102 HydrophobicContact CD2-CG1 4.3Å; S85-V102 WeakPolarHBondContact CA-O 3.35Å; V86-V102 HydrophobicContact CG2-CB 4.07Å; V86-V102 WeakPolarHBondContact CG2-O 3.41Å; V86-V102 PolarHBondContact N-O 2.63Å; V86-V102 PolarHBondContact O-N 3.16Å; I100-V102 HydrophobicContact CG2-CG2 3.8Å; V102-V116 HydrophobicContact CG1-CG1 4.07Å; V102-G117 WeakPolarHBondContact CA-O 3.12Å; V102-F118 HydrophobicContact CG2-CD2 4.25Å; V102-F192 HydrophobicContact CB-CZ 4.45Å; V102-F192 HydrophobicContact CG1-CE1 4.01Å; V102-F192 HydrophobicContact CG1-CE2 3.95Å; V102-F192 HydrophobicContact CG1-CZ 3.58Å; V102-F192 HydrophobicContact CG2-CD1 3.81Å; V102-F192 HydrophobicContact CG2-CD2 3.85Å; V102-F192 HydrophobicContact CG2-CE1 3.91Å; V102-F192 HydrophobicContact CG2-CE2 3.96Å; V102-F192 HydrophobicContact CG2-CG 3.79Å; V102-F192 HydrophobicContact CG2-CZ 4Å
103	M	92.3	Very high	78.6	Confident	26 Å²	26	64 Å²	64	13%	0.128	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	151.3	177.2	62	170.7	155.4	0	0	112.8	R105 G117 F119	M103-R105 PolarHBondContact SD-NH1 3.07Å; M103-R105 VanDerWaalsContact SD-NH1 3.41Å; M103-G117 PolarHBondContact N-O 3Å; M103-G117 WeakPolarHBondContact O-CA 3.27Å; M103-G117 PolarHBondContact O-N 2.89Å; M103-F119 HydrophobicContact CE-CD2 3.82Å; M103-F119 HydrophobicContact CE-CE2 3.23Å; M103-F119 HydrophobicContact CE-CZ 3.75Å; M103-F119 HydrophobicContact CG-CE2 4.35Å
104	P	88.6	Confident	78.7	Confident	11 Å²	11	66.5 Å²	66.5	7%	0.071	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	135.5	169.1	30.1	-33.1	0	0	0	110.7	S83 E84 F106 W174	S83-P104 WeakPolarHBondContact O-CG 3.41Å; E84-P104 WeakPolarHBondContact O-CD 3.28Å; P104-F106 HydrophobicContact CB-CE2 4.2Å; P104-F106 HydrophobicContact CB-CZ 4.34Å; P104-F106 HydrophobicContact CG-CE2 4.38Å; P104-W174 HydrophobicContact CB-CE3 4.43Å; P104-W174 HydrophobicContact CB-CH2 4.22Å; P104-W174 HydrophobicContact CB-CZ3 3.8Å
105	R	85.8	Confident	79.3	Confident	89 Å²	89	65.2 Å²	65.2	34%	0.336	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	139.4	174.4	-70.9	-66.7	-132.4	-156.6	1.4	110.6	M103 S115 S169	M103-R105 PolarHBondContact SD-NH1 3.07Å; M103-R105 VanDerWaalsContact SD-NH1 3.41Å; R105-S115 WeakPolarHBondContact CB-OG 3.18Å; R105-S115 PolarHBondContact N-O 3.02Å; R105-S115 PolarHBondContact O-N 3.35Å; R105-S169 WeakPolarHBondContact CB-O 3.46Å; R105-S169 WeakPolarHBondContact CG-O 3.25Å; R105-S169 PolarHBondContact NE-OG 2.77Å; R105-S169 PolarHBondContact NH2-OG 3.16Å
106	F	80.6	Confident	80.2	Confident	129 Å²	129	61.6 Å²	61.6	57%	0.566	30%	0.299	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-120.6	138.5	-179.4	-58	-85.8	0	0	0	109.4	P104 K114	P104-F106 HydrophobicContact CB-CE2 4.2Å; P104-F106 HydrophobicContact CB-CZ 4.34Å; P104-F106 HydrophobicContact CG-CE2 4.38Å; F106-K114 HydrophobicContact CE1-CD 4.21Å; F106-K114 HydrophobicContact CE1-CG 4.12Å; F106-K114 HydrophobicContact CZ-CD 4.48Å
107	Y	70.6	Confident	80.6	Confident	81 Å²	81	61.5 Å²	61.5	32%	0.318	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	127	178.8	-69	-83	0	0	0	111	D109 R110 Q113 S115 N170	Y107-D109 VanDerWaalsContact C-N 3.26Å; Y107-D109 PolarHBondContact O-N 3.01Å; Y107-R110 CarbonylContact O-C 2.94Å; Y107-R110 VanDerWaalsContact O-C 3.3Å; Y107-R110 PolarHBondContact O-N 2.69Å; Y107-R110 VanDerWaalsContact O-N 3.16Å; Y107-Q113 HydrophobicContact CD2-CB 4.48Å; Y107-Q113 WeakPolarHBondContact CD2-O 3.38Å; Y107-S115 WeakPolarHBondContact CE2-OG 3.18Å; Y107-N170 WeakPolarHBondContact OH-CB 3.37Å; Y107-N170 PolarHBondContact OH-ND2 3.2Å
108	P	56.8	Low	81	Confident	124 Å²	124	60.5 Å²	60.5	81%	0.805	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57	-37.3	-179.9	-24	32.1	0	0	0	113.5
109	D	58.8	Low	81.1	Confident	156 Å²	156	61.1 Å²	61.1	83%	0.834	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.2	-10.2	-177	-66.3	-36.1	0	0	0	114	Y107	Y107-D109 VanDerWaalsContact C-N 3.26Å; Y107-D109 PolarHBondContact O-N 3.01Å
110	R	63.2	Low	81.1	Confident	164 Å²	164	59.6 Å²	59.6	62%	0.619	29%	0.288	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-148.3	83	-178.8	-66.9	-173.4	-176.6	-178.8	1.7	111.1	Y107 H112 Q113	Y107-R110 CarbonylContact O-C 2.94Å; Y107-R110 VanDerWaalsContact O-C 3.3Å; Y107-R110 PolarHBondContact O-N 2.69Å; Y107-R110 VanDerWaalsContact O-N 3.16Å; R110-H112 PolarHBondContact O-N 3.42Å; R110-Q113 HydrophobicContact CB-CB 4.17Å; R110-Q113 VanDerWaalsContact CD-OE1 3.28Å; R110-Q113 PolarHBondContact O-N 3.48Å
111	P	56.4	Low	81	Confident	98 Å²	98	60.9 Å²	60.9	64%	0.636	29%	0.294	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-63.6	-13.7	-174.3	22.5	-32.5	0	0	0	114.8
112	H	57.8	Low	80.9	Confident	192 Å²	192	60 Å²	60	89%	0.889	29%	0.289	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.5	-3.2	176.8	-61.9	-52.7	0	0	0	114.4	R110	R110-H112 PolarHBondContact O-N 3.42Å
113	Q	68.8	Low	80.5	Confident	97 Å²	97	61 Å²	61	45%	0.453	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	95.5	-178.3	-150	167.7	3.8	0	0	109.4	Y107 R110	Y107-Q113 HydrophobicContact CD2-CB 4.48Å; Y107-Q113 WeakPolarHBondContact CD2-O 3.38Å; R110-Q113 HydrophobicContact CB-CB 4.17Å; R110-Q113 VanDerWaalsContact CD-OE1 3.28Å; R110-Q113 PolarHBondContact O-N 3.48Å
114	K	82.5	Confident	80	Confident	52 Å²	52	61.7 Å²	61.7	23%	0.226	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	134.8	174.8	-168.4	177.7	-178.7	-170.9	0	108.9	L82 F106 W174	L82-K114 PolarHBondContact O-NZ 3.21Å; L82-K114 VanDerWaalsContact O-NZ 3.09Å; F106-K114 HydrophobicContact CE1-CD 4.21Å; F106-K114 HydrophobicContact CE1-CG 4.12Å; F106-K114 HydrophobicContact CZ-CD 4.48Å; K114-W174 HydrophobicContact CB-CB 3.7Å; K114-W174 HydrophobicContact CB-CG 4.06Å; K114-W174 HydrophobicContact CD-CB 4.19Å; K114-W174 HydrophobicContact CD-CD2 3.45Å; K114-W174 VanDerWaalsContact CD-CD2 3.45Å; K114-W174 HydrophobicContact CD-CE3 3.86Å; K114-W174 HydrophobicContact CD-CG 3.58Å; K114-W174 HydrophobicContact CD-CZ2 4.37Å; K114-W174 HydrophobicContact CD-CZ3 4.5Å; K114-W174 VanDerWaalsContact CE-CD2 3.43Å; K114-W174 VanDerWaalsContact CE-CE2 3.46Å; K114-W174 HydrophobicContact CG-CB 3.81Å; K114-W174 HydrophobicContact CG-CD2 3.74Å; K114-W174 HydrophobicContact CG-CE3 3.81Å; K114-W174 HydrophobicContact CG-CG 3.74Å; K114-W174 WeakPolarHBondContact O-CB 3.39Å; K114-W174 PolarHBondContact O-N 3.47Å
115	S	89.3	Confident	79.4	Confident	2 Å²	2	67.9 Å²	67.9	1%	0.014	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	161.3	173.8	60.4	0	0	0	0	111.7	R105 Y107 S169 N170	R105-S115 WeakPolarHBondContact CB-OG 3.18Å; R105-S115 PolarHBondContact N-O 3.02Å; R105-S115 PolarHBondContact O-N 3.35Å; Y107-S115 WeakPolarHBondContact CE2-OG 3.18Å; S115-S169 PolarHBondContact OG-O 3.01Å; S115-N170 WeakPolarHBondContact CB-OD1 3.44Å
116	V	91.3	Very high	79	Confident	0 Å²	0	65.4 Å²	65.4	0%	0	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	117.3	174	-174.3	0	0	0	0	108.6	F79 V102 F171 M172 W174 V177 F192	F79-V116 HydrophobicContact CE1-CG2 4.16Å; F79-V116 HydrophobicContact CZ-CG1 4.08Å; F79-V116 HydrophobicContact CZ-CG2 3.67Å; V102-V116 HydrophobicContact CG1-CG1 4.07Å; V116-F171 VanDerWaalsContact O-CB 3.27Å; V116-F171 WeakPolarHBondContact O-CB 3.41Å; V116-F171 PolarHBondContact O-N 3.33Å; V116-M172 PolarHBondContact N-O 3.36Å; V116-W174 HydrophobicContact CG2-CE3 3.71Å; V116-W174 HydrophobicContact CG2-CZ3 4.05Å; V116-V177 HydrophobicContact CG2-CB 4.37Å; V116-V177 HydrophobicContact CG2-CG2 3.9Å; V116-F192 HydrophobicContact CG1-CE1 3.96Å; V116-F192 HydrophobicContact CG1-CZ 4.03Å
117	G	92.4	Very high	78.1	Confident	0 Å²	0	67.1 Å²	67.1	0%	0	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	129.5	165.6	0	0	0	0	0	110	V102 M103 F168	V102-G117 WeakPolarHBondContact CA-O 3.12Å; M103-G117 PolarHBondContact N-O 3Å; M103-G117 WeakPolarHBondContact O-CA 3.27Å; M103-G117 PolarHBondContact O-N 2.89Å; G117-F168 WeakPolarHBondContact CA-O 3.41Å
118	F	95.5	Very high	78	Confident	0 Å²	0	65.3 Å²	65.3	0%	0	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	116.8	-179.2	-175.6	-170.3	0	0	0	109.2	I100 V102 L139 I141 F168 F171 F192 V194	I100-F118 HydrophobicContact CB-CE2 4.43Å; I100-F118 HydrophobicContact CG1-CE2 4.28Å; I100-F118 HydrophobicContact CG2-CD2 4.14Å; I100-F118 HydrophobicContact CG2-CE2 3.53Å; I100-F118 HydrophobicContact CG2-CZ 4.39Å; V102-F118 HydrophobicContact CG2-CD2 4.25Å; F118-L139 HydrophobicContact CB-CD2 4.42Å; F118-L139 HydrophobicContact CD1-CB 3.88Å; F118-L139 HydrophobicContact CD1-CD2 4.07Å; F118-L139 HydrophobicContact CD1-CG 4.27Å; F118-L139 HydrophobicContact CD2-CD2 3.9Å; F118-L139 HydrophobicContact CD2-CG 4.35Å; F118-L139 HydrophobicContact CE1-CB 3.54Å; F118-L139 HydrophobicContact CE1-CD2 4.31Å; F118-L139 HydrophobicContact CE1-CG 4.02Å; F118-L139 HydrophobicContact CE2-CB 4.46Å; F118-L139 HydrophobicContact CE2-CD2 4.08Å; F118-L139 HydrophobicContact CE2-CG 4.02Å; F118-L139 HydrophobicContact CG-CD2 3.86Å; F118-L139 HydrophobicContact CG-CG 4.44Å; F118-L139 HydrophobicContact CZ-CB 3.86Å; F118-L139 HydrophobicContact CZ-CD2 4.3Å; F118-L139 HydrophobicContact CZ-CG 3.87Å; F118-L139 WeakPolarHBondContact O-CD2 3.48Å; F118-I141 HydrophobicContact CD1-CG1 4.33Å; F118-I141 HydrophobicContact CE1-CG1 4.44Å; F118-F168 PolarHBondContact N-O 3.13Å; F118-F168 PolarHBondContact O-N 3.31Å; F118-F171 HydrophobicContact CB-CB 3.91Å; F118-F171 HydrophobicContact CB-CD2 3.91Å; F118-F171 HydrophobicContact CB-CG 3.87Å; F118-F171 HydrophobicContact CD1-CD1 4.05Å; F118-F171 AromaticContact CD1-CD2 3.92Å; F118-F171 HydrophobicContact CD1-CD2 3.92Å; F118-F171 AromaticContact CD1-CE1 3.96Å; F118-F171 HydrophobicContact CD1-CE1 3.96Å; F118-F171 AromaticContact CD1-CE2 3.86Å; F118-F171 HydrophobicContact CD1-CE2 3.86Å; F118-F171 HydrophobicContact CD1-CG 4.03Å; F118-F171 AromaticContact CD1-CZ 3.89Å; F118-F171 HydrophobicContact CD1-CZ 3.89Å; F118-F171 HydrophobicContact CE1-CZ 4.3Å; F118-F171 HydrophobicContact CG-CD2 4.34Å; F118-F171 HydrophobicContact CG-CG 4.48Å; F118-F192 AromaticContact CD1-CD1 3.68Å; F118-F192 HydrophobicContact CD1-CD1 3.68Å; F118-F192 HydrophobicContact CD1-CE1 4.23Å; F118-F192 HydrophobicContact CD2-CD1 4.17Å; F118-F192 HydrophobicContact CE1-CB 4.24Å; F118-F192 AromaticContact CE1-CD1 3.67Å; F118-F192 HydrophobicContact CE1-CD1 3.67Å; F118-F192 HydrophobicContact CE1-CG 4.45Å; F118-F192 HydrophobicContact CE2-CB 4.22Å; F118-F192 HydrophobicContact CE2-CD1 4.21Å; F118-F192 AromaticContact CG-CD1 3.94Å; F118-F192 HydrophobicContact CG-CD1 3.94Å; F118-F192 HydrophobicContact CG-CE1 4.36Å; F118-F192 HydrophobicContact CZ-CB 3.82Å; F118-F192 AromaticContact CZ-CD1 3.96Å; F118-F192 HydrophobicContact CZ-CD1 3.96Å; F118-F192 HydrophobicContact CZ-CG 4.38Å; F118-V194 HydrophobicContact CE2-CG2 3.83Å; F118-V194 HydrophobicContact CZ-CG2 3.65Å
119	F	94.6	Very high	78.7	Confident	13 Å²	13	64.3 Å²	64.3	6%	0.057	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	153.2	-174.9	-54	-100.5	0	0	0	110.7	M101 M103 S169	M101-F119 HydrophobicContact CB-CB 4.22Å; M101-F119 HydrophobicContact CE-CB 3.74Å; M101-F119 HydrophobicContact CE-CD2 4.09Å; M101-F119 HydrophobicContact CE-CG 3.94Å; M101-F119 PolarHBondContact N-O 3.03Å; M101-F119 PolarHBondContact O-N 2.96Å; M103-F119 HydrophobicContact CE-CD2 3.82Å; M103-F119 HydrophobicContact CE-CE2 3.23Å; M103-F119 HydrophobicContact CE-CZ 3.75Å; M103-F119 HydrophobicContact CG-CE2 4.35Å; F119-S169 WeakPolarHBondContact CZ-OG 3.32Å
120	L	95.1	Very high	79.2	Confident	0 Å²	0	60.5 Å²	60.5	0%	0	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	128.3	167.9	-179.9	60.7	0	0	0	107.4	F72 W98 A137 I155 F159 D165 W166 V194 V196	F72-L120 HydrophobicContact CZ-CD1 3.98Å; W98-L120 HydrophobicContact CB-CD1 4.43Å; W98-L120 HydrophobicContact CE3-CD1 3.98Å; W98-L120 HydrophobicContact CE3-CD2 3.65Å; W98-L120 HydrophobicContact CE3-CG 3.71Å; W98-L120 HydrophobicContact CZ3-CD2 3.74Å; W98-L120 HydrophobicContact CZ3-CG 4.07Å; L120-A137 HydrophobicContact CD2-CB 3.46Å; L120-A137 VanDerWaalsContact CD2-CB 3.46Å; L120-I155 HydrophobicContact CB-CD1 4.09Å; L120-I155 HydrophobicContact CD2-CD1 4.43Å; L120-F159 HydrophobicContact CD2-CZ 4.38Å; L120-F159 WeakPolarHBondContact O-CE1 3.31Å; L120-D165 WeakPolarHBondContact O-CA 3.4Å; L120-W166 PolarHBondContact N-O 3.22Å; L120-W166 PolarHBondContact O-N 3.44Å; L120-V194 HydrophobicContact CD1-CG1 4.02Å; L120-V194 HydrophobicContact CD2-CG1 4.08Å; L120-V196 HydrophobicContact CD2-CB 4.16Å; L120-V196 HydrophobicContact CD2-CG2 3.88Å
121	Q	92.9	Very high	80	Confident	27 Å²	27	52.9 Å²	52.9	13%	0.126	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	139.7	177.9	-176	177.8	68.2	0	0	109.9	W98 K99 A124 N164 D165	W98-Q121 CarbonylContact C-O 3.39Å; W98-Q121 VanDerWaalsContact CA-O 3.3Å; W98-Q121 WeakPolarHBondContact CA-O 3.47Å; K99-Q121 PolarHBondContact N-O 2.78Å; K99-Q121 PolarHBondContact O-N 2.95Å; Q121-A124 HydrophobicContact CG-CB 3.65Å; Q121-N164 CarbonylContact C-O 3.6Å; Q121-N164 WeakPolarHBondContact CA-O 3.34Å; Q121-D165 HydrophobicContact CB-CB 4.05Å; Q121-D165 HydrophobicContact CG-CB 4.15Å
122	C	91.6	Very high	81.2	Confident	0 Å²	0	49.6 Å²	49.6	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	128.2	179.9	-176.7	0	0	0	0	110.4	P97 W98 A124 W131 F159 N164	P97-C122 WeakPolarHBondContact O-CA 3.34Å; W98-C122 HydrophobicContact CD2-CB 3.99Å; W98-C122 HydrophobicContact CE3-CB 3.67Å; W98-C122 HydrophobicContact CH2-CB 3.78Å; W98-C122 HydrophobicContact CZ2-CB 4.12Å; W98-C122 WeakPolarHBondContact CZ2-SG 3.47Å; W98-C122 HydrophobicContact CZ3-CB 3.57Å; C122-A124 PolarHBondContact O-N 3.14Å; C122-W131 HydrophobicContact CB-CH2 4.45Å; C122-W131 WeakPolarHBondContact O-CH2 3.33Å; C122-F159 HydrophobicContact CB-CB 3.95Å; C122-F159 HydrophobicContact CB-CD1 3.81Å; C122-F159 HydrophobicContact CB-CG 3.88Å; C122-N164 PolarHBondContact N-O 3.45Å
123	N	86.3	Confident	82.4	Confident	21 Å²	21	40.5 Å²	40.5	11%	0.112	23%	0.229	C	C	.	.	S	Bend	trans	48.9	34.6	168.6	-159.3	41.9	0	0	0	115.9	L96 P97 E125 S126 W131	L96-N123 HydrophobicContact CD1-CB 4.44Å; L96-N123 HydrophobicContact CD2-CB 4.07Å; P97-N123 PolarHBondContact O-N 2.9Å; N123-E125 PolarHBondContact O-N 3.36Å; N123-S126 WeakPolarHBondContact ND2-CB 3.46Å; N123-S126 PolarHBondContact O-N 2.99Å; N123-W131 HydrophobicContact CB-CD2 4.32Å; N123-W131 HydrophobicContact CB-CE3 4.27Å; N123-W131 HydrophobicContact CB-CH2 3.71Å; N123-W131 HydrophobicContact CB-CZ2 3.71Å; N123-W131 HydrophobicContact CB-CZ3 3.98Å; N123-W131 WeakPolarHBondContact O-CZ2 3.22Å
124	A	80.4	Confident	83.1	Confident	40 Å²	40	38.3 Å²	38.3	33%	0.331	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-16.6	-176.9	0	0	0	0	0	114.2	Q121 C122 N164	Q121-A124 HydrophobicContact CG-CB 3.65Å; C122-A124 PolarHBondContact O-N 3.14Å; A124-N164 HydrophobicContact CB-CB 4.37Å
125	E	77.8	Confident	83.4	Confident	141 Å²	141	35.9 Å²	35.9	66%	0.659	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.8	-0.2	-180	-66.8	168.6	-168.9	0	0	113.1	K99 N123	K99-E125 IonicContact NZ-OE1 2.84Å; K99-E125 PolarHBondContact NZ-OE1 3.44Å; N123-E125 PolarHBondContact O-N 3.36Å
126	S	75.5	Confident	83.3	Confident	36 Å²	36	38.5 Å²	38.5	25%	0.252	22%	0.22	S	C	.	.			trans	-83.9	124.9	-177.5	161.4	0	0	0	0	112.9	N123 S128	N123-S126 WeakPolarHBondContact ND2-CB 3.46Å; N123-S126 PolarHBondContact O-N 2.99Å; S126-S128 PolarHBondContact O-N 2.87Å; S126-S128 WeakPolarHBondContact OG-CB 3.4Å; S126-S128 PolarHBondContact OG-N 3.19Å
127	D	63.3	Low	83.4	Confident	166 Å²	166	38.8 Å²	38.8	89%	0.888	22%	0.222	S	C	*	.			trans	-71.8	-11.4	172.7	-61.2	-39.2	0	0	0	114	T129	D127-T129 PolarHBondContact O-N 3.2Å
128	S	67.4	Low	83.4	Confident	42 Å²	42	41 Å²	41	29%	0.294	23%	0.233	S	C	.	.			trans	-70.9	128.7	177.9	178.3	0	0	0	0	111.7	S126 S130 W131	S126-S128 PolarHBondContact O-N 2.87Å; S126-S128 WeakPolarHBondContact OG-CB 3.4Å; S126-S128 PolarHBondContact OG-N 3.19Å; S128-S130 PolarHBondContact OG-N 3.15Å; S128-S130 PolarHBondContact OG-OG 2.59Å; S128-W131 PolarHBondContact O-NE1 2.67Å
129	T	72.8	Confident	83.3	Confident	103 Å²	103	41 Å²	41	63%	0.632	23%	0.233	S	C	*	.	S	Bend	trans	-86.8	-10.5	173.5	54.9	0	0	0	0	113.3	D127 H161	D127-T129 PolarHBondContact O-N 3.2Å; T129-H161 PolarHBondContact O-CE1 3.36Å; T129-H161 PolarHBondContact O-ND1 2.75Å
130	S	67.8	Low	83.3	Confident	77 Å²	77	42 Å²	42	54%	0.538	24%	0.238	S	C	.	.	S	Bend	trans	-94.1	-6.1	-172.1	57.6	0	0	0	0	114.5	S128 G203	S128-S130 PolarHBondContact OG-N 3.15Å; S128-S130 PolarHBondContact OG-OG 2.59Å; S130-G203 WeakPolarHBondContact O-CA 3.32Å; S130-G203 PolarHBondContact OG-O 2.8Å; S130-G203 VanDerWaalsContact OG-O 3.08Å
131	W	81.1	Confident	83.2	Confident	3 Å²	3	42 Å²	42	1%	0.011	24%	0.238	C	C	.	.			trans	-80.3	144.8	-175.8	76.5	-93.8	0	0	0	113.3	L96 C122 N123 S128 C133 F159 F160 N164 H202 V204	L96-W131 HydrophobicContact CD1-CE3 4.36Å; L96-W131 HydrophobicContact CD1-CZ3 4.41Å; C122-W131 HydrophobicContact CB-CH2 4.45Å; C122-W131 WeakPolarHBondContact O-CH2 3.33Å; N123-W131 HydrophobicContact CB-CD2 4.32Å; N123-W131 HydrophobicContact CB-CE3 4.27Å; N123-W131 HydrophobicContact CB-CH2 3.71Å; N123-W131 HydrophobicContact CB-CZ2 3.71Å; N123-W131 HydrophobicContact CB-CZ3 3.98Å; N123-W131 WeakPolarHBondContact O-CZ2 3.22Å; S128-W131 PolarHBondContact O-NE1 2.67Å; W131-C133 HydrophobicContact CZ3-CB 4.44Å; W131-F159 HydrophobicContact CH2-CB 4.13Å; W131-F159 HydrophobicContact CZ3-CB 4.03Å; W131-F159 WeakPolarHBondContact CZ3-O 3.49Å; W131-F160 WeakPolarHBondContact O-CB 3Å; W131-N164 HydrophobicContact CH2-CB 4.22Å; W131-N164 HydrophobicContact CZ2-CB 4.06Å; W131-H202 CarbonylContact C-O 3.46Å; W131-H202 WeakPolarHBondContact CA-O 3.44Å; W131-V204 HydrophobicContact CB-CG2 3.32Å; W131-V204 HydrophobicContact CG-CG2 4.25Å
132	S	80.9	Confident	83.1	Confident	30 Å²	30	41.6 Å²	41.6	21%	0.21	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	148.1	167.9	68.1	0	0	0	0	111.7	F159 P201 H202	S132-F159 CarbonylContact C-O 3.58Å; S132-F159 WeakPolarHBondContact CA-O 3.45Å; S132-P201 CarbonylContact O-C 3.57Å; S132-P201 VanDerWaalsContact O-CA 3.28Å; S132-P201 WeakPolarHBondContact O-CA 3.09Å; S132-H202 PolarHBondContact N-O 2.91Å; S132-H202 PolarHBondContact O-N 2.78Å
133	C	82.9	Confident	83.1	Confident	0 Å²	0	41.9 Å²	41.9	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	117.4	177.5	-179.7	0	0	0	0	109.3	L96 W131 F159 D199 P201	L96-C133 HydrophobicContact CD1-CB 3.61Å; W131-C133 HydrophobicContact CZ3-CB 4.44Å; C133-F159 PolarHBondContact N-O 3.45Å; C133-F159 WeakPolarHBondContact O-CB 3.39Å; C133-F159 PolarHBondContact O-N 2.85Å; C133-D199 PolarHBondContact SG-O 2.77Å; C133-P201 HydrophobicContact CB-CB 4.23Å
134	H	84.7	Confident	83.1	Confident	52 Å²	52	45 Å²	45	24%	0.241	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	135	172.4	176.5	-95.6	0	0	0	109.6	S156 H157 L158 D199	H134-S156 PolarHBondContact NE2-OG 2.49Å; H134-H157 WeakPolarHBondContact CA-O 3.26Å; H134-H157 PolarHBondContact CD2-O 2.88Å; H134-L158 HydrophobicContact CB-CD1 3.94Å; H134-D199 HydrophobicContact CB-CB 4.4Å; H134-D199 WeakPolarHBondContact CB-OD2 3.29Å; H134-D199 IonicContact CG-OD2 3.72Å; H134-D199 IonicContact ND1-OD2 2.73Å; H134-D199 PolarHBondContact ND1-OD2 2.78Å; H134-D199 WeakPolarHBondContact O-CB 3.33Å; H134-D199 PolarHBondContact O-N 2.83Å
135	A	87.1	Confident	83.3	Confident	1 Å²	1	49.8 Å²	49.8	1%	0.008	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	148.2	177.3	0	0	0	0	0	112.8	W98 H157 F159 V196 Q197 A198	W98-A135 HydrophobicContact CH2-CB 3.26Å; W98-A135 HydrophobicContact CZ2-CB 4Å; W98-A135 HydrophobicContact CZ3-CB 3.9Å; A135-H157 PolarHBondContact N-O 3.41Å; A135-H157 PolarHBondContact O-N 3Å; A135-F159 HydrophobicContact CB-CD2 4.21Å; A135-F159 HydrophobicContact CB-CE2 4.02Å; A135-V196 HydrophobicContact CB-CG2 4.01Å; A135-Q197 CarbonylContact C-O 3.52Å; A135-Q197 VanDerWaalsContact CA-O 3.24Å; A135-Q197 WeakPolarHBondContact CA-O 3.32Å; A135-Q197 WeakPolarHBondContact CB-O 3.41Å; A135-A198 HydrophobicContact CB-CB 3.96Å
136	Q	88.4	Confident	83.5	Confident	57 Å²	57	45.6 Å²	45.6	27%	0.266	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	132.9	169.5	-60.8	-167.7	-40.7	0	0	108.3	I155 S156 V196 Q197 R516	Q136-I155 CarbonylContact C-O 3.6Å; Q136-I155 WeakPolarHBondContact CA-O 3.34Å; Q136-S156 WeakPolarHBondContact CG-OG 3.25Å; Q136-S156 PolarHBondContact NE2-OG 3.02Å; Q136-V196 CarbonylContact O-C 3.51Å; Q136-V196 WeakPolarHBondContact O-CA 3.47Å; Q136-Q197 PolarHBondContact N-O 3Å; Q136-Q197 PolarHBondContact O-N 3.17Å; Q136-R516 VanDerWaalsContact CD-NH2 3.31Å
137	A	91.9	Very high	83.7	Confident	5 Å²	5	48.4 Å²	48.4	4%	0.041	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	146.2	178.9	0	0	0	0	0	112.5	L120 L139 R154 I155 V194 Y195 V196	L120-A137 HydrophobicContact CD2-CB 3.46Å; L120-A137 VanDerWaalsContact CD2-CB 3.46Å; A137-L139 HydrophobicContact CB-CD1 4.07Å; A137-R154 CarbonylContact O-C 3.45Å; A137-R154 VanDerWaalsContact O-CA 3.32Å; A137-R154 WeakPolarHBondContact O-CA 3.45Å; A137-I155 HydrophobicContact CB-CD1 4.1Å; A137-I155 HydrophobicContact CB-CG1 3.76Å; A137-I155 PolarHBondContact N-O 3.1Å; A137-I155 PolarHBondContact O-N 2.95Å; A137-V194 HydrophobicContact CB-CG1 4.1Å; A137-Y195 CarbonylContact C-O 3.59Å; A137-Y195 WeakPolarHBondContact CA-O 3.43Å; A137-Y195 WeakPolarHBondContact CB-O 3.47Å; A137-V196 HydrophobicContact CB-CB 4.11Å; A137-V196 HydrophobicContact CB-CG2 4.16Å
138	M	93.6	Very high	84.4	Confident	48 Å²	48	49.4 Å²	49.4	24%	0.236	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	115.6	169	-173.9	-176.7	-57.1	0	0	108.4	R154 V194 Y195	M138-R154 HydrophobicContact CB-CG 4.46Å; M138-R154 HydrophobicContact CE-CG 4.37Å; M138-R154 VanDerWaalsContact CE-CZ 3.4Å; M138-R154 VanDerWaalsContact CE-NH2 3.3Å; M138-R154 HydrophobicContact CG-CG 4.39Å; M138-V194 WeakPolarHBondContact O-CA 3.5Å; M138-Y195 PolarHBondContact N-O 2.84Å; M138-Y195 PolarHBondContact O-N 2.85Å
139	L	94	Very high	85.1	Confident	0 Å²	0	53.7 Å²	53.7	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	127.2	174.7	-79.3	65.1	0	0	0	107.3	F118 A137 S152 R153 I155 F171 V194	F118-L139 HydrophobicContact CB-CD2 4.42Å; F118-L139 HydrophobicContact CD1-CB 3.88Å; F118-L139 HydrophobicContact CD1-CD2 4.07Å; F118-L139 HydrophobicContact CD1-CG 4.27Å; F118-L139 HydrophobicContact CD2-CD2 3.9Å; F118-L139 HydrophobicContact CD2-CG 4.35Å; F118-L139 HydrophobicContact CE1-CB 3.54Å; F118-L139 HydrophobicContact CE1-CD2 4.31Å; F118-L139 HydrophobicContact CE1-CG 4.02Å; F118-L139 HydrophobicContact CE2-CB 4.46Å; F118-L139 HydrophobicContact CE2-CD2 4.08Å; F118-L139 HydrophobicContact CE2-CG 4.02Å; F118-L139 HydrophobicContact CG-CD2 3.86Å; F118-L139 HydrophobicContact CG-CG 4.44Å; F118-L139 HydrophobicContact CZ-CB 3.86Å; F118-L139 HydrophobicContact CZ-CD2 4.3Å; F118-L139 HydrophobicContact CZ-CG 3.87Å; F118-L139 WeakPolarHBondContact O-CD2 3.48Å; A137-L139 HydrophobicContact CB-CD1 4.07Å; L139-S152 CarbonylContact O-C 3.56Å; L139-S152 WeakPolarHBondContact O-CA 3.39Å; L139-R153 PolarHBondContact N-O 2.9Å; L139-R153 PolarHBondContact O-N 3.15Å; L139-I155 HydrophobicContact CD1-CD1 3.66Å; L139-I155 HydrophobicContact CD1-CG1 3.8Å; L139-I155 HydrophobicContact CD1-CG2 4.45Å; L139-F171 HydrophobicContact CB-CE2 3.67Å; L139-F171 HydrophobicContact CB-CZ 4Å; L139-F171 HydrophobicContact CD2-CE2 4.37Å; L139-F171 WeakPolarHBondContact O-CZ 3.45Å; L139-V194 HydrophobicContact CD1-CG2 4.34Å; L139-V194 HydrophobicContact CG-CG2 3.99Å
140	K	93.8	Very high	85.9	Confident	33 Å²	33	49.6 Å²	49.6	14%	0.143	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	134.6	-177.8	-177.7	-177.5	176	-167.3	0	110.7	D147 S150 F151 E193	K140-D147 IonicContact NZ-OD1 3.94Å; K140-D147 PolarHBondContact NZ-OD1 2.79Å; K140-D147 IonicContact NZ-OD2 3.4Å; K140-D147 PolarHBondContact NZ-OD2 3.41Å; K140-S150 WeakPolarHBondContact CE-OG 3.44Å; K140-F151 CarbonylContact C-O 3.44Å; K140-F151 WeakPolarHBondContact CA-O 3.1Å; K140-E193 HydrophobicContact CB-CB 4.28Å; K140-E193 WeakPolarHBondContact CD-OE1 3.49Å; K140-E193 PolarHBondContact N-O 2.68Å; K140-E193 PolarHBondContact O-N 2.83Å
141	I	93.4	Very high	86.9	Confident	0 Å²	0	49.7 Å²	49.7	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	122.5	165.2	-60.5	177.4	0	0	0	107.3	F118 S150 F151 F171 M172 V177 F184 V190 F192	F118-I141 HydrophobicContact CD1-CG1 4.33Å; F118-I141 HydrophobicContact CE1-CG1 4.44Å; I141-S150 WeakPolarHBondContact O-CA 3.03Å; I141-S150 WeakPolarHBondContact O-CB 3.28Å; I141-F151 PolarHBondContact N-O 2.87Å; I141-F151 PolarHBondContact O-N 2.88Å; I141-F151 VanDerWaalsContact O-N 3.11Å; I141-F171 HydrophobicContact CD1-CD1 3.54Å; I141-F171 HydrophobicContact CD1-CE1 3.84Å; I141-F171 HydrophobicContact CG1-CD1 3.97Å; I141-F171 HydrophobicContact CG1-CE1 3.75Å; I141-M172 HydrophobicContact CD1-CB 4.48Å; I141-V177 HydrophobicContact CD1-CG2 4.47Å; I141-F184 HydrophobicContact CG2-CB 4.48Å; I141-F184 HydrophobicContact CG2-CD1 3.99Å; I141-V190 HydrophobicContact CG2-CG1 3.83Å; I141-F192 HydrophobicContact CD1-CD1 4.25Å; I141-F192 HydrophobicContact CD1-CE1 3.67Å; I141-F192 HydrophobicContact CD1-CZ 4.44Å; I141-F192 HydrophobicContact CG1-CD1 3.75Å; I141-F192 HydrophobicContact CG1-CE1 3.68Å
142	I	91.2	Very high	87.3	Confident	18 Å²	18	52.3 Å²	52.3	9%	0.092	25%	0.254	C	S	.	.	P	Polyproline II helix	trans	-78.4	135.1	-175.9	-61.5	-164.3	0	0	0	110.5	S150 T191 E193	I142-S150 WeakPolarHBondContact CA-OG 3.32Å; I142-T191 HydrophobicContact CB-CG2 4.48Å; I142-T191 HydrophobicContact CD1-CG2 4.14Å; I142-T191 HydrophobicContact CG1-CG2 4.35Å; I142-T191 PolarHBondContact N-O 2.74Å; I142-E193 HydrophobicContact CD1-CB 4.27Å; I142-E193 HydrophobicContact CG1-CB 4.36Å
143	N	91.4	Very high	87.7	Confident	7 Å²	7	55.3 Å²	55.3	4%	0.037	26%	0.261	C	S	.	.	P	Polyproline II helix	trans	-94.4	120.5	169.7	-168.7	-54.1	0	0	0	109.8	K145 D146 K149 S150 R182 G183 F184	N143-K145 VanDerWaalsContact C-N 3.3Å; N143-K145 PolarHBondContact O-N 3.11Å; N143-K145 PolarHBondContact OD1-N 3.22Å; N143-D146 WeakPolarHBondContact CB-O 3.15Å; N143-D146 PolarHBondContact OD1-N 3Å; N143-K149 HydrophobicContact CB-CB 4.46Å; N143-S150 PolarHBondContact N-OG 3.37Å; N143-R182 PolarHBondContact ND2-O 3.31Å; N143-G183 CarbonylContact C-O 3.53Å; N143-G183 WeakPolarHBondContact CA-O 3.42Å; N143-G183 PolarHBondContact OD1-O 3.38Å; N143-F184 HydrophobicContact CB-CD1 3.93Å; N143-F184 HydrophobicContact CB-CE1 3.79Å
144	Y	86.4	Confident	88.1	Confident	86 Å²	86	64.5 Å²	64.5	34%	0.337	30%	0.295	S	S	.	.	S	Bend	trans	-73	-18.8	-176.1	-64.4	-79.3	0	0	0	113.9	G183 D186 K189 T191	Y144-G183 PolarHBondContact N-O 3.08Å; Y144-D186 HydrophobicContact CD1-CB 4.33Å; Y144-D186 HydrophobicContact CD2-CB 3.7Å; Y144-D186 HydrophobicContact CE2-CB 3.95Å; Y144-D186 HydrophobicContact CG-CB 3.88Å; Y144-K189 WeakPolarHBondContact CE2-O 3.33Å; Y144-K189 PolarHBondContact OH-O 2.57Å; Y144-T191 PolarHBondContact OH-N 3.03Å; Y144-T191 PolarHBondContact OH-OG1 2.77Å
145	K	84	Confident	88.3	Confident	140 Å²	140	62.6 Å²	62.6	61%	0.609	29%	0.287	S	S	*	.	S	Bend	trans	-90.1	-31.7	179.7	-64.7	-176.2	-174.6	172.1	0	112.6	N143 P180 E181	N143-K145 VanDerWaalsContact C-N 3.3Å; N143-K145 PolarHBondContact O-N 3.11Å; N143-K145 PolarHBondContact OD1-N 3.22Å; K145-P180 WeakPolarHBondContact CE-O 3.45Å; K145-P180 PolarHBondContact NZ-O 2.77Å; K145-E181 PolarHBondContact NZ-O 2.91Å
146	D	82.4	Confident	88.3	Confident	54 Å²	54	65.5 Å²	65.5	29%	0.289	31%	0.307	S	S	.	.			trans	-159.5	104.2	-171	-173.9	-9.4	0	0	0	110.5	N143 E148 K149	N143-D146 WeakPolarHBondContact CB-O 3.15Å; N143-D146 PolarHBondContact OD1-N 3Å; D146-E148 PolarHBondContact O-N 3.37Å; D146-E148 PolarHBondContact OD1-N 3Å; D146-K149 HydrophobicContact CB-CB 4.27Å; D146-K149 HydrophobicContact CB-CD 4.05Å; D146-K149 HydrophobicContact CB-CG 4.19Å; D146-K149 WeakPolarHBondContact O-CB 3.47Å; D146-K149 PolarHBondContact O-N 3.08Å; D146-K149 WeakPolarHBondContact OD2-CD 3.47Å; D146-K149 WeakPolarHBondContact OD2-CE 3.41Å; D146-K149 IonicContact OD2-NZ 3.36Å; D146-K149 PolarHBondContact OD2-NZ 3.41Å
147	D	78.5	Confident	88.2	Confident	94 Å²	94	63.8 Å²	63.8	50%	0.503	30%	0.299	S	S	.	.	G	3₁₀ helix	trans	-64.5	-24.8	-174.2	-172.1	39.6	0	0	0	113.2	K140 K149 S150	K140-D147 IonicContact NZ-OD1 3.94Å; K140-D147 PolarHBondContact NZ-OD1 2.79Å; K140-D147 IonicContact NZ-OD2 3.4Å; K140-D147 PolarHBondContact NZ-OD2 3.41Å; D147-K149 PolarHBondContact O-N 3.27Å; D147-S150 WeakPolarHBondContact O-CB 3.46Å; D147-S150 PolarHBondContact O-N 3.26Å; D147-S150 VanDerWaalsContact O-N 3.14Å; D147-S150 PolarHBondContact O-OG 3.19Å; D147-S150 PolarHBondContact OD1-OG 3.34Å
148	E	78.8	Confident	87.8	Confident	187 Å²	187	67.5 Å²	67.5	87%	0.874	32%	0.318	S	S	*	.	G	3₁₀ helix	trans	-70	-19.2	174.7	-66.5	-163.7	163.7	0	0	112.5	D146 S150	D146-E148 PolarHBondContact O-N 3.37Å; D146-E148 PolarHBondContact OD1-N 3Å; E148-S150 VanDerWaalsContact C-N 3.34Å
149	K	83	Confident	87.5	Confident	132 Å²	132	65.3 Å²	65.3	57%	0.574	31%	0.307	S	S	*	.	G	3₁₀ helix	trans	-90.6	3.3	173.8	-66.9	-179.3	-175.3	129.3	0	113.3	N143 D146 D147 F184	N143-K149 HydrophobicContact CB-CB 4.46Å; D146-K149 HydrophobicContact CB-CB 4.27Å; D146-K149 HydrophobicContact CB-CD 4.05Å; D146-K149 HydrophobicContact CB-CG 4.19Å; D146-K149 WeakPolarHBondContact O-CB 3.47Å; D146-K149 PolarHBondContact O-N 3.08Å; D146-K149 WeakPolarHBondContact OD2-CD 3.47Å; D146-K149 WeakPolarHBondContact OD2-CE 3.41Å; D146-K149 IonicContact OD2-NZ 3.36Å; D146-K149 PolarHBondContact OD2-NZ 3.41Å; D147-K149 PolarHBondContact O-N 3.27Å; K149-F184 WeakPolarHBondContact O-CE1 3.46Å; K149-F184 WeakPolarHBondContact O-CZ 3.34Å
150	S	87.7	Confident	87.1	Confident	17 Å²	17	67.7 Å²	67.7	12%	0.119	32%	0.317	C	S	.	.			trans	-59.7	140.3	171	-66.9	0	0	0	0	110.6	K140 I141 I142 N143 D147 E148	K140-S150 WeakPolarHBondContact CE-OG 3.44Å; I141-S150 WeakPolarHBondContact O-CA 3.03Å; I141-S150 WeakPolarHBondContact O-CB 3.28Å; I142-S150 WeakPolarHBondContact CA-OG 3.32Å; N143-S150 PolarHBondContact N-OG 3.37Å; D147-S150 WeakPolarHBondContact O-CB 3.46Å; D147-S150 PolarHBondContact O-N 3.26Å; D147-S150 VanDerWaalsContact O-N 3.14Å; D147-S150 PolarHBondContact O-OG 3.19Å; D147-S150 PolarHBondContact OD1-OG 3.34Å; E148-S150 VanDerWaalsContact C-N 3.34Å
151	F	89.2	Confident	86.3	Confident	79 Å²	79	69.3 Å²	69.3	35%	0.346	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	121.4	-175.6	-176.4	-104.1	0	0	0	110.4	K140 I141 R153 F171 M172 F184	K140-F151 CarbonylContact C-O 3.44Å; K140-F151 WeakPolarHBondContact CA-O 3.1Å; I141-F151 PolarHBondContact N-O 2.87Å; I141-F151 PolarHBondContact O-N 2.88Å; I141-F151 VanDerWaalsContact O-N 3.11Å; F151-R153 HydrophobicContact CE1-CG 3.86Å; F151-R153 HydrophobicContact CZ-CG 3.99Å; F151-F171 AromaticContact CD1-CD1 3.9Å; F151-F171 HydrophobicContact CD1-CD1 3.9Å; F151-F171 AromaticContact CD1-CE1 3.46Å; F151-F171 HydrophobicContact CD1-CE1 3.46Å; F151-F171 VanDerWaalsContact CD1-CE1 3.46Å; F151-F171 HydrophobicContact CD1-CZ 4.13Å; F151-F171 HydrophobicContact CE1-CD1 4.06Å; F151-F171 AromaticContact CE1-CE1 3.87Å; F151-F171 HydrophobicContact CE1-CE1 3.87Å; F151-F171 HydrophobicContact CE1-CZ 4.29Å; F151-F171 WeakPolarHBondContact CE1-O 3.48Å; F151-M172 HydrophobicContact CB-CE 3.25Å; F151-M172 HydrophobicContact CD1-CE 3.58Å; F151-M172 HydrophobicContact CD2-CE 4.33Å; F151-M172 HydrophobicContact CG-CE 3.46Å; F151-M172 VanDerWaalsContact CG-CE 3.46Å; F151-F184 HydrophobicContact CB-CE1 4.37Å
152	S	90.1	Very high	85.7	Confident	58 Å²	58	76.9 Å²	76.9	41%	0.406	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	145.5	-177.9	64.1	0	0	0	0	113.3	L139	L139-S152 CarbonylContact O-C 3.56Å; L139-S152 WeakPolarHBondContact O-CA 3.39Å
153	R	90.1	Very high	85.5	Confident	94 Å²	94	80.1 Å²	80.1	36%	0.355	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137	147.5	171	-62	178.7	67.8	172.3	2.6	110	L139 F151 F168 N170 F171	L139-R153 PolarHBondContact N-O 2.9Å; L139-R153 PolarHBondContact O-N 3.15Å; F151-R153 HydrophobicContact CE1-CG 3.86Å; F151-R153 HydrophobicContact CZ-CG 3.99Å; R153-F168 HydrophobicContact CB-CD2 4.26Å; R153-F168 HydrophobicContact CB-CE2 3.57Å; R153-F168 HydrophobicContact CB-CZ 4Å; R153-N170 PolarHBondContact NH1-O 3.26Å; R153-F171 HydrophobicContact CB-CE2 3.82Å; R153-F171 HydrophobicContact CB-CZ 4.19Å; R153-F171 HydrophobicContact CG-CE2 4.04Å; R153-F171 HydrophobicContact CG-CZ 4.18Å
154	R	89.3	Confident	85.3	Confident	192 Å²	192	81.2 Å²	81.2	73%	0.725	38%	0.379	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.8	148.5	178.5	-63.7	-179.5	-175.1	-118.2	3.3	111.3	A137 M138	A137-R154 CarbonylContact O-C 3.45Å; A137-R154 VanDerWaalsContact O-CA 3.32Å; A137-R154 WeakPolarHBondContact O-CA 3.45Å; M138-R154 HydrophobicContact CB-CG 4.46Å; M138-R154 HydrophobicContact CE-CG 4.37Å; M138-R154 VanDerWaalsContact CE-CZ 3.4Å; M138-R154 VanDerWaalsContact CE-NH2 3.3Å; M138-R154 HydrophobicContact CG-CG 4.39Å
155	I	88.9	Confident	85.5	Confident	13 Å²	13	79.9 Å²	79.9	7%	0.067	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	149.7	169.6	63.8	172.9	0	0	0	109.5	L120 Q136 A137 L139 F159 F168	L120-I155 HydrophobicContact CB-CD1 4.09Å; L120-I155 HydrophobicContact CD2-CD1 4.43Å; Q136-I155 CarbonylContact C-O 3.6Å; Q136-I155 WeakPolarHBondContact CA-O 3.34Å; A137-I155 HydrophobicContact CB-CD1 4.1Å; A137-I155 HydrophobicContact CB-CG1 3.76Å; A137-I155 PolarHBondContact N-O 3.1Å; A137-I155 PolarHBondContact O-N 2.95Å; L139-I155 HydrophobicContact CD1-CD1 3.66Å; L139-I155 HydrophobicContact CD1-CG1 3.8Å; L139-I155 HydrophobicContact CD1-CG2 4.45Å; I155-F159 HydrophobicContact CD1-CZ 4.46Å; I155-F168 HydrophobicContact CG2-CD2 4.23Å; I155-F168 HydrophobicContact CG2-CE2 3.4Å; I155-F168 VanDerWaalsContact CG2-CE2 3.4Å; I155-F168 HydrophobicContact CG2-CZ 3.68Å
156	S	87.1	Confident	86	Confident	62 Å²	62	78.4 Å²	78.4	43%	0.434	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	120.4	169	-168.2	0	0	0	0	106.3	H134 Q136	H134-S156 PolarHBondContact NE2-OG 2.49Å; Q136-S156 WeakPolarHBondContact CG-OG 3.25Å; Q136-S156 PolarHBondContact NE2-OG 3.02Å
157	H	86.8	Confident	86.4	Confident	21 Å²	21	76.6 Å²	76.6	10%	0.097	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152	151	-172.3	-171.1	67.1	0	0	0	112.2	H134 A135 F159 E163 W166	H134-H157 WeakPolarHBondContact CA-O 3.26Å; H134-H157 PolarHBondContact CD2-O 2.88Å; A135-H157 PolarHBondContact N-O 3.41Å; A135-H157 PolarHBondContact O-N 3Å; H157-F159 HydrophobicContact CB-CD2 4.41Å; H157-F159 HydrophobicContact CB-CE2 3.9Å; H157-F159 HydrophobicContact CB-CZ 4.19Å; H157-E163 IonicContact CE1-OE2 3.16Å; H157-E163 PolarHBondContact CE1-OE2 2.99Å; H157-E163 VanDerWaalsContact CE1-OE2 3.26Å; H157-E163 IonicContact NE2-OE2 3.21Å; H157-W166 HydrophobicContact CB-CB 4.05Å; H157-W166 HydrophobicContact CB-CD2 4.39Å; H157-W166 HydrophobicContact CB-CG 3.76Å; H157-W166 AromaticContact CD2-CG 3.71Å; H157-W166 AromaticContact CE1-CD2 3.57Å; H157-W166 AromaticContact CE1-CE3 3.34Å; H157-W166 AromaticContact CE1-CZ3 3.72Å; H157-W166 AromaticContact CG-CD1 3.78Å; H157-W166 AromaticContact CG-CD2 3.71Å; H157-W166 AromaticContact CG-CG 3.45Å; H157-W166 VanDerWaalsContact CG-CG 3.45Å; H157-W166 AromaticContact ND1-CD2 3.43Å; H157-W166 AromaticContact ND1-CE2 3.67Å; H157-W166 AromaticContact ND1-CE3 3.72Å; H157-W166 AromaticContact ND1-CG 3.72Å; H157-W166 AromaticContact NE2-CD2 3.9Å; H157-W166 AromaticContact NE2-CE3 3.65Å
158	L	85	Confident	87	Confident	83 Å²	83	74.1 Å²	74.1	44%	0.435	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	104.3	169.8	177.7	67.7	0	0	0	108.2	H134 F160	H134-L158 HydrophobicContact CB-CD1 3.94Å; L158-F160 WeakPolarHBondContact O-CD1 3.4Å
159	F	86.4	Confident	87.4	Confident	1 Å²	1	67.5 Å²	67.5	0%	0.004	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	133.5	177.5	-64	-95.1	0	0	0	110.1	W98 L120 C122 W131 S132 C133 A135 I155 H157 E163 W166	W98-F159 AromaticContact CH2-CD2 3.73Å; W98-F159 HydrophobicContact CH2-CD2 3.73Å; W98-F159 AromaticContact CH2-CE2 3.97Å; W98-F159 HydrophobicContact CH2-CE2 3.97Å; W98-F159 HydrophobicContact CH2-CG 4.24Å; W98-F159 HydrophobicContact CZ3-CD1 4.5Å; W98-F159 AromaticContact CZ3-CD2 3.86Å; W98-F159 HydrophobicContact CZ3-CD2 3.86Å; W98-F159 HydrophobicContact CZ3-CE1 4.35Å; W98-F159 AromaticContact CZ3-CE2 3.71Å; W98-F159 HydrophobicContact CZ3-CE2 3.71Å; W98-F159 HydrophobicContact CZ3-CG 4.26Å; W98-F159 AromaticContact CZ3-CZ 3.97Å; W98-F159 HydrophobicContact CZ3-CZ 3.97Å; L120-F159 HydrophobicContact CD2-CZ 4.38Å; L120-F159 WeakPolarHBondContact O-CE1 3.31Å; C122-F159 HydrophobicContact CB-CB 3.95Å; C122-F159 HydrophobicContact CB-CD1 3.81Å; C122-F159 HydrophobicContact CB-CG 3.88Å; W131-F159 HydrophobicContact CH2-CB 4.13Å; W131-F159 HydrophobicContact CZ3-CB 4.03Å; W131-F159 WeakPolarHBondContact CZ3-O 3.49Å; S132-F159 CarbonylContact C-O 3.58Å; S132-F159 WeakPolarHBondContact CA-O 3.45Å; C133-F159 PolarHBondContact N-O 3.45Å; C133-F159 WeakPolarHBondContact O-CB 3.39Å; C133-F159 PolarHBondContact O-N 2.85Å; A135-F159 HydrophobicContact CB-CD2 4.21Å; A135-F159 HydrophobicContact CB-CE2 4.02Å; I155-F159 HydrophobicContact CD1-CZ 4.46Å; H157-F159 HydrophobicContact CB-CD2 4.41Å; H157-F159 HydrophobicContact CB-CE2 3.9Å; H157-F159 HydrophobicContact CB-CZ 4.19Å; F159-E163 WeakPolarHBondContact CA-O 3.21Å; F159-W166 HydrophobicContact CE1-CB 3.77Å; F159-W166 HydrophobicContact CZ-CB 3.91Å
160	F	84.6	Confident	87.6	Confident	50 Å²	50	65.1 Å²	65.1	22%	0.219	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.6	176.9	176.6	65.5	-79.8	0	0	0	110.7	W131 L158 K162 E163 N164	W131-F160 WeakPolarHBondContact O-CB 3Å; L158-F160 WeakPolarHBondContact O-CD1 3.4Å; F160-K162 VanDerWaalsContact C-N 3.25Å; F160-K162 HydrophobicContact CD2-CB 4.15Å; F160-K162 HydrophobicContact CD2-CG 4.38Å; F160-K162 HydrophobicContact CE2-CB 3.53Å; F160-K162 HydrophobicContact CE2-CD 4.28Å; F160-K162 HydrophobicContact CE2-CG 3.88Å; F160-K162 HydrophobicContact CZ-CB 4.17Å; F160-K162 PolarHBondContact O-N 3.37Å; F160-E163 HydrophobicContact CD1-CB 4.12Å; F160-E163 HydrophobicContact CE1-CB 3.55Å; F160-E163 HydrophobicContact CE1-CG 3.83Å; F160-E163 HydrophobicContact CZ-CB 3.88Å; F160-E163 HydrophobicContact CZ-CG 3.7Å; F160-E163 PolarHBondContact N-O 3.19Å; F160-E163 VanDerWaalsContact N-O 3.12Å; F160-E163 CarbonylContact O-C 3.58Å; F160-E163 PolarHBondContact O-N 2.71Å; F160-N164 WeakPolarHBondContact O-CA 3.46Å; F160-N164 WeakPolarHBondContact O-CB 3.44Å; F160-N164 PolarHBondContact O-N 2.89Å; F160-N164 VanDerWaalsContact O-N 3.11Å
161	H	77.3	Confident	87.7	Confident	67 Å²	67	64.6 Å²	64.6	31%	0.31	31%	0.311	S	S	.	.	S	Bend	trans	-53.1	-31.5	-170.1	76.4	-83	0	0	0	116.1	T129 N164	T129-H161 PolarHBondContact O-CE1 3.36Å; T129-H161 PolarHBondContact O-ND1 2.75Å; H161-N164 PolarHBondContact O-ND2 2.66Å
162	K	82.1	Confident	87.6	Confident	159 Å²	159	61.8 Å²	61.8	69%	0.691	30%	0.299	S	S	*	.	S	Bend	trans	-88.5	-33.5	177.4	-52.6	-172.7	175.1	177	0	113.8	F160	F160-K162 VanDerWaalsContact C-N 3.25Å; F160-K162 HydrophobicContact CD2-CB 4.15Å; F160-K162 HydrophobicContact CD2-CG 4.38Å; F160-K162 HydrophobicContact CE2-CB 3.53Å; F160-K162 HydrophobicContact CE2-CD 4.28Å; F160-K162 HydrophobicContact CE2-CG 3.88Å; F160-K162 HydrophobicContact CZ-CB 4.17Å; F160-K162 PolarHBondContact O-N 3.37Å
163	E	85.9	Confident	87.6	Confident	87 Å²	87	60.5 Å²	60.5	41%	0.407	29%	0.29	S	S	.	.	S	Bend	trans	-120	70.5	179	-60.2	-176.3	-177	0	0	107.7	H157 F159 F160	H157-E163 IonicContact CE1-OE2 3.16Å; H157-E163 PolarHBondContact CE1-OE2 2.99Å; H157-E163 VanDerWaalsContact CE1-OE2 3.26Å; H157-E163 IonicContact NE2-OE2 3.21Å; F159-E163 WeakPolarHBondContact CA-O 3.21Å; F160-E163 HydrophobicContact CD1-CB 4.12Å; F160-E163 HydrophobicContact CE1-CB 3.55Å; F160-E163 HydrophobicContact CE1-CG 3.83Å; F160-E163 HydrophobicContact CZ-CB 3.88Å; F160-E163 HydrophobicContact CZ-CG 3.7Å; F160-E163 PolarHBondContact N-O 3.19Å; F160-E163 VanDerWaalsContact N-O 3.12Å; F160-E163 CarbonylContact O-C 3.58Å; F160-E163 PolarHBondContact O-N 2.71Å
164	N	87.6	Confident	87.5	Confident	30 Å²	30	57.1 Å²	57.1	16%	0.16	28%	0.277	C	S	.	.			trans	-91.8	-6.1	-176.8	65.9	46.6	0	0	0	112.6	Q121 C122 A124 W131 F160 H161	Q121-N164 CarbonylContact C-O 3.6Å; Q121-N164 WeakPolarHBondContact CA-O 3.34Å; C122-N164 PolarHBondContact N-O 3.45Å; A124-N164 HydrophobicContact CB-CB 4.37Å; W131-N164 HydrophobicContact CH2-CB 4.22Å; W131-N164 HydrophobicContact CZ2-CB 4.06Å; F160-N164 WeakPolarHBondContact O-CA 3.46Å; F160-N164 WeakPolarHBondContact O-CB 3.44Å; F160-N164 PolarHBondContact O-N 2.89Å; F160-N164 VanDerWaalsContact O-N 3.11Å; H161-N164 PolarHBondContact O-ND2 2.66Å
165	D	90.6	Very high	87.3	Confident	57 Å²	57	51.7 Å²	51.7	31%	0.305	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	140.8	171.4	71.1	-89.8	0	0	0	111.5	M101 L120 Q121	M101-D165 HydrophobicContact CE-CB 3.9Å; M101-D165 WeakPolarHBondContact CE-OD2 3.46Å; L120-D165 WeakPolarHBondContact O-CA 3.4Å; Q121-D165 HydrophobicContact CB-CB 4.05Å; Q121-D165 HydrophobicContact CG-CB 4.15Å
166	W	93.9	Very high	87.2	Confident	109 Å²	109	52.9 Å²	52.9	41%	0.413	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	143.8	179.3	-163.5	-102.8	0	0	0	111.6	L120 H157 F159	L120-W166 PolarHBondContact N-O 3.22Å; L120-W166 PolarHBondContact O-N 3.44Å; H157-W166 HydrophobicContact CB-CB 4.05Å; H157-W166 HydrophobicContact CB-CD2 4.39Å; H157-W166 HydrophobicContact CB-CG 3.76Å; H157-W166 AromaticContact CD2-CG 3.71Å; H157-W166 AromaticContact CE1-CD2 3.57Å; H157-W166 AromaticContact CE1-CE3 3.34Å; H157-W166 AromaticContact CE1-CZ3 3.72Å; H157-W166 AromaticContact CG-CD1 3.78Å; H157-W166 AromaticContact CG-CD2 3.71Å; H157-W166 AromaticContact CG-CG 3.45Å; H157-W166 VanDerWaalsContact CG-CG 3.45Å; H157-W166 AromaticContact ND1-CD2 3.43Å; H157-W166 AromaticContact ND1-CE2 3.67Å; H157-W166 AromaticContact ND1-CE3 3.72Å; H157-W166 AromaticContact ND1-CG 3.72Å; H157-W166 AromaticContact NE2-CD2 3.9Å; H157-W166 AromaticContact NE2-CE3 3.65Å; F159-W166 HydrophobicContact CE1-CB 3.77Å; F159-W166 HydrophobicContact CZ-CB 3.91Å
167	G	92.6	Very high	87.2	Confident	17 Å²	17	50 Å²	50	18%	0.175	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	165.7	-150.4	-174.3	0	0	0	0	0	113
168	F	90.8	Very high	87.1	Confident	41 Å²	41	50.8 Å²	50.8	18%	0.18	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	122.9	-174.7	-57.3	-80	0	0	0	111.2	G117 F118 R153 I155 N170 F171	G117-F168 WeakPolarHBondContact CA-O 3.41Å; F118-F168 PolarHBondContact N-O 3.13Å; F118-F168 PolarHBondContact O-N 3.31Å; R153-F168 HydrophobicContact CB-CD2 4.26Å; R153-F168 HydrophobicContact CB-CE2 3.57Å; R153-F168 HydrophobicContact CB-CZ 4Å; I155-F168 HydrophobicContact CG2-CD2 4.23Å; I155-F168 HydrophobicContact CG2-CE2 3.4Å; I155-F168 VanDerWaalsContact CG2-CE2 3.4Å; I155-F168 HydrophobicContact CG2-CZ 3.68Å; F168-N170 PolarHBondContact O-N 2.93Å; F168-F171 HydrophobicContact CB-CB 4.35Å; F168-F171 HydrophobicContact CB-CD2 4.02Å; F168-F171 AromaticContact CD2-CD2 3.64Å; F168-F171 HydrophobicContact CD2-CD2 3.64Å; F168-F171 AromaticContact CD2-CE2 3.86Å; F168-F171 HydrophobicContact CD2-CE2 3.86Å; F168-F171 HydrophobicContact CE2-CE2 4.35Å; F168-F171 HydrophobicContact CG-CD2 4.18Å
169	S	87.4	Confident	87.1	Confident	49 Å²	49	49.4 Å²	49.4	34%	0.343	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	-21.7	169.3	-67.5	0	0	0	0	112.9	R105 S115 F119	R105-S169 WeakPolarHBondContact CB-O 3.46Å; R105-S169 WeakPolarHBondContact CG-O 3.25Å; R105-S169 PolarHBondContact NE-OG 2.77Å; R105-S169 PolarHBondContact NH2-OG 3.16Å; S115-S169 PolarHBondContact OG-O 3.01Å; F119-S169 WeakPolarHBondContact CZ-OG 3.32Å
170	N	87.1	Confident	86.8	Confident	82 Å²	82	53.8 Å²	53.8	44%	0.439	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	78.6	173.9	-159.4	7.4	0	0	0	109.9	Y107 S115 R153 F168	Y107-N170 WeakPolarHBondContact OH-CB 3.37Å; Y107-N170 PolarHBondContact OH-ND2 3.2Å; S115-N170 WeakPolarHBondContact CB-OD1 3.44Å; R153-N170 PolarHBondContact NH1-O 3.26Å; F168-N170 PolarHBondContact O-N 2.93Å
171	F	89.4	Confident	86.8	Confident	5 Å²	5	59.2 Å²	59.2	2%	0.022	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	-50.8	178.7	-161.6	-90.3	0	0	0	110.7	V116 F118 L139 I141 F151 R153 F168	V116-F171 VanDerWaalsContact O-CB 3.27Å; V116-F171 WeakPolarHBondContact O-CB 3.41Å; V116-F171 PolarHBondContact O-N 3.33Å; F118-F171 HydrophobicContact CB-CB 3.91Å; F118-F171 HydrophobicContact CB-CD2 3.91Å; F118-F171 HydrophobicContact CB-CG 3.87Å; F118-F171 HydrophobicContact CD1-CD1 4.05Å; F118-F171 AromaticContact CD1-CD2 3.92Å; F118-F171 HydrophobicContact CD1-CD2 3.92Å; F118-F171 AromaticContact CD1-CE1 3.96Å; F118-F171 HydrophobicContact CD1-CE1 3.96Å; F118-F171 AromaticContact CD1-CE2 3.86Å; F118-F171 HydrophobicContact CD1-CE2 3.86Å; F118-F171 HydrophobicContact CD1-CG 4.03Å; F118-F171 AromaticContact CD1-CZ 3.89Å; F118-F171 HydrophobicContact CD1-CZ 3.89Å; F118-F171 HydrophobicContact CE1-CZ 4.3Å; F118-F171 HydrophobicContact CG-CD2 4.34Å; F118-F171 HydrophobicContact CG-CG 4.48Å; L139-F171 HydrophobicContact CB-CE2 3.67Å; L139-F171 HydrophobicContact CB-CZ 4Å; L139-F171 HydrophobicContact CD2-CE2 4.37Å; L139-F171 WeakPolarHBondContact O-CZ 3.45Å; I141-F171 HydrophobicContact CD1-CD1 3.54Å; I141-F171 HydrophobicContact CD1-CE1 3.84Å; I141-F171 HydrophobicContact CG1-CD1 3.97Å; I141-F171 HydrophobicContact CG1-CE1 3.75Å; F151-F171 AromaticContact CD1-CD1 3.9Å; F151-F171 HydrophobicContact CD1-CD1 3.9Å; F151-F171 AromaticContact CD1-CE1 3.46Å; F151-F171 HydrophobicContact CD1-CE1 3.46Å; F151-F171 VanDerWaalsContact CD1-CE1 3.46Å; F151-F171 HydrophobicContact CD1-CZ 4.13Å; F151-F171 HydrophobicContact CE1-CD1 4.06Å; F151-F171 AromaticContact CE1-CE1 3.87Å; F151-F171 HydrophobicContact CE1-CE1 3.87Å; F151-F171 HydrophobicContact CE1-CZ 4.29Å; F151-F171 WeakPolarHBondContact CE1-O 3.48Å; R153-F171 HydrophobicContact CB-CE2 3.82Å; R153-F171 HydrophobicContact CB-CZ 4.19Å; R153-F171 HydrophobicContact CG-CE2 4.04Å; R153-F171 HydrophobicContact CG-CZ 4.18Å; F168-F171 HydrophobicContact CB-CB 4.35Å; F168-F171 HydrophobicContact CB-CD2 4.02Å; F168-F171 AromaticContact CD2-CD2 3.64Å; F168-F171 HydrophobicContact CD2-CD2 3.64Å; F168-F171 AromaticContact CD2-CE2 3.86Å; F168-F171 HydrophobicContact CD2-CE2 3.86Å; F168-F171 HydrophobicContact CE2-CE2 4.35Å; F168-F171 HydrophobicContact CG-CD2 4.18Å
172	M	87.7	Confident	87.1	Confident	21 Å²	21	61.9 Å²	61.9	10%	0.103	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	153.9	174.8	-169.1	176.7	-66.4	0	0	109.8	V116 I141 F151 D176 V177 F184	V116-M172 PolarHBondContact N-O 3.36Å; I141-M172 HydrophobicContact CD1-CB 4.48Å; F151-M172 HydrophobicContact CB-CE 3.25Å; F151-M172 HydrophobicContact CD1-CE 3.58Å; F151-M172 HydrophobicContact CD2-CE 4.33Å; F151-M172 HydrophobicContact CG-CE 3.46Å; F151-M172 VanDerWaalsContact CG-CE 3.46Å; M172-D176 HydrophobicContact CG-CB 4.06Å; M172-D176 HydrophobicContact SD-CB 4.12Å; M172-V177 HydrophobicContact CB-CG2 3.85Å; M172-V177 HydrophobicContact CG-CG2 3.75Å; M172-V177 HydrophobicContact SD-CG2 3.41Å; M172-V177 WeakPolarHBondContact SD-CG2 3.47Å; M172-F184 HydrophobicContact CE-CE1 4.19Å; M172-F184 HydrophobicContact CE-CE2 4.19Å; M172-F184 HydrophobicContact CE-CZ 3.97Å; M172-F184 HydrophobicContact SD-CD2 4.12Å; M172-F184 HydrophobicContact SD-CE2 4.12Å; M172-F184 HydrophobicContact SD-CZ 4.48Å
173	S	88.4	Confident	87.2	Confident	30 Å²	30	54.3 Å²	54.3	21%	0.21	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	144.5	175.2	85.9	0	0	0	0	110.8	S175 D176 V177	S173-S175 VanDerWaalsContact C-N 3.28Å; S173-S175 PolarHBondContact O-N 3.01Å; S173-S175 PolarHBondContact OG-OG 3.05Å; S173-S175 VanDerWaalsContact OG-OG 3.13Å; S173-D176 PolarHBondContact O-N 3.39Å; S173-D176 WeakPolarHBondContact OG-CB 3.21Å; S173-D176 PolarHBondContact OG-N 3.31Å; S173-D176 PolarHBondContact OG-OD1 3.03Å; S173-D176 PolarHBondContact OG-OD2 2.98Å; S173-V177 PolarHBondContact O-N 3.48Å
174	W	88.1	Confident	87.3	Confident	23 Å²	23	51 Å²	51	9%	0.087	27%	0.268	C	S	.	.	H	α-helix	trans	-63.2	-37.6	-177.5	-165.7	-86.9	0	0	0	112.3	F79 L82 P104 K114 V116 D176 V177 T178	F79-W174 HydrophobicContact CD1-CH2 4.27Å; F79-W174 HydrophobicContact CD1-CZ2 4.12Å; F79-W174 HydrophobicContact CE1-CD2 4.37Å; F79-W174 HydrophobicContact CE1-CE3 4.31Å; F79-W174 AromaticContact CE1-CH2 3.74Å; F79-W174 HydrophobicContact CE1-CH2 3.74Å; F79-W174 AromaticContact CE1-CZ2 3.85Å; F79-W174 HydrophobicContact CE1-CZ2 3.85Å; F79-W174 AromaticContact CE1-CZ3 4Å; F79-W174 HydrophobicContact CE1-CZ3 4Å; F79-W174 HydrophobicContact CE2-CH2 4.25Å; F79-W174 HydrophobicContact CZ-CE3 4.35Å; F79-W174 AromaticContact CZ-CH2 3.73Å; F79-W174 HydrophobicContact CZ-CH2 3.73Å; F79-W174 HydrophobicContact CZ-CZ2 4.33Å; F79-W174 AromaticContact CZ-CZ3 3.77Å; F79-W174 HydrophobicContact CZ-CZ3 3.77Å; F79-W174 WeakPolarHBondContact O-CZ2 3.34Å; L82-W174 HydrophobicContact CB-CH2 3.99Å; L82-W174 HydrophobicContact CB-CZ2 4.48Å; L82-W174 HydrophobicContact CD2-CH2 4.24Å; P104-W174 HydrophobicContact CB-CE3 4.43Å; P104-W174 HydrophobicContact CB-CH2 4.22Å; P104-W174 HydrophobicContact CB-CZ3 3.8Å; K114-W174 HydrophobicContact CB-CB 3.7Å; K114-W174 HydrophobicContact CB-CG 4.06Å; K114-W174 HydrophobicContact CD-CB 4.19Å; K114-W174 HydrophobicContact CD-CD2 3.45Å; K114-W174 VanDerWaalsContact CD-CD2 3.45Å; K114-W174 HydrophobicContact CD-CE3 3.86Å; K114-W174 HydrophobicContact CD-CG 3.58Å; K114-W174 HydrophobicContact CD-CZ2 4.37Å; K114-W174 HydrophobicContact CD-CZ3 4.5Å; K114-W174 VanDerWaalsContact CE-CD2 3.43Å; K114-W174 VanDerWaalsContact CE-CE2 3.46Å; K114-W174 HydrophobicContact CG-CB 3.81Å; K114-W174 HydrophobicContact CG-CD2 3.74Å; K114-W174 HydrophobicContact CG-CE3 3.81Å; K114-W174 HydrophobicContact CG-CG 3.74Å; K114-W174 WeakPolarHBondContact O-CB 3.39Å; K114-W174 PolarHBondContact O-N 3.47Å; V116-W174 HydrophobicContact CG2-CE3 3.71Å; V116-W174 HydrophobicContact CG2-CZ3 4.05Å; W174-D176 VanDerWaalsContact C-N 3.31Å; W174-D176 PolarHBondContact O-N 3.37Å; W174-V177 PolarHBondContact O-N 3.43Å; W174-T178 WeakPolarHBondContact O-CB 3.44Å; W174-T178 PolarHBondContact O-N 3.18Å; W174-T178 PolarHBondContact O-OG1 2.97Å
175	S	85.3	Confident	87.4	Confident	78 Å²	78	50.7 Å²	50.7	55%	0.545	27%	0.266	S	S	.	.	H	α-helix	trans	-62	-39	176.2	47.4	0	0	0	0	111.9	S173 D179	S173-S175 VanDerWaalsContact C-N 3.28Å; S173-S175 PolarHBondContact O-N 3.01Å; S173-S175 PolarHBondContact OG-OG 3.05Å; S173-S175 VanDerWaalsContact OG-OG 3.13Å; S175-D179 VanDerWaalsContact O-CB 3.28Å; S175-D179 WeakPolarHBondContact O-CB 3.47Å; S175-D179 PolarHBondContact O-N 3.25Å
176	D	86.9	Confident	87.2	Confident	39 Å²	39	52.8 Å²	52.8	21%	0.209	28%	0.277	C	S	.	.	H	α-helix	trans	-71.8	-33.5	-178.7	-64.3	-27.4	0	0	0	112.5	M172 S173 W174 R182	M172-D176 HydrophobicContact CG-CB 4.06Å; M172-D176 HydrophobicContact SD-CB 4.12Å; S173-D176 PolarHBondContact O-N 3.39Å; S173-D176 WeakPolarHBondContact OG-CB 3.21Å; S173-D176 PolarHBondContact OG-N 3.31Å; S173-D176 PolarHBondContact OG-OD1 3.03Å; S173-D176 PolarHBondContact OG-OD2 2.98Å; W174-D176 VanDerWaalsContact C-N 3.31Å; W174-D176 PolarHBondContact O-N 3.37Å; D176-R182 VanDerWaalsContact CG-CZ 3.43Å; D176-R182 IonicContact OD1-CZ 3.36Å; D176-R182 IonicContact OD1-NE 2.67Å; D176-R182 IonicContact OD1-NH1 3.83Å; D176-R182 PolarHBondContact OD1-NH1 3.26Å; D176-R182 IonicContact OD1-NH2 3.19Å; D176-R182 PolarHBondContact OD1-NH2 2.61Å; D176-R182 IonicContact OD2-NH1 2.71Å; D176-R182 PolarHBondContact OD2-NH1 2.63Å
177	V	87	Confident	86.9	Confident	0 Å²	0	53.7 Å²	53.7	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-75	-38.8	177	178.8	0	0	0	0	111.2	F79 V116 I141 M172 S173 W174 F184 I185 V190	F79-V177 HydrophobicContact CD1-CG1 4.15Å; F79-V177 HydrophobicContact CE1-CB 4.27Å; F79-V177 HydrophobicContact CE1-CG1 3.59Å; F79-V177 HydrophobicContact CZ-CG1 4.13Å; V116-V177 HydrophobicContact CG2-CB 4.37Å; V116-V177 HydrophobicContact CG2-CG2 3.9Å; I141-V177 HydrophobicContact CD1-CG2 4.47Å; M172-V177 HydrophobicContact CB-CG2 3.85Å; M172-V177 HydrophobicContact CG-CG2 3.75Å; M172-V177 HydrophobicContact SD-CG2 3.41Å; M172-V177 WeakPolarHBondContact SD-CG2 3.47Å; S173-V177 PolarHBondContact O-N 3.48Å; W174-V177 PolarHBondContact O-N 3.43Å; V177-F184 HydrophobicContact CG1-CB 4.37Å; V177-I185 WeakPolarHBondContact O-CB 3.16Å; V177-I185 WeakPolarHBondContact O-CG2 3.41Å; V177-V190 HydrophobicContact CG1-CG1 4.01Å; V177-V190 HydrophobicContact CG1-CG2 3.74Å
178	T	85.4	Confident	86.6	Confident	38 Å²	38	55 Å²	55	23%	0.233	29%	0.293	C	S	.	.	H	α-helix	trans	-86.8	-4.4	-176.6	53.3	0	0	0	0	114.5	F79 W174 P180 I185	F79-T178 HydrophobicContact CD1-CG2 4.04Å; F79-T178 HydrophobicContact CE1-CG2 4.28Å; W174-T178 WeakPolarHBondContact O-CB 3.44Å; W174-T178 PolarHBondContact O-N 3.18Å; W174-T178 PolarHBondContact O-OG1 2.97Å; T178-P180 VanDerWaalsContact O-CD 3.26Å; T178-P180 WeakPolarHBondContact O-CD 3.45Å; T178-I185 HydrophobicContact CG2-CD1 4.25Å
179	D	84.9	Confident	86.6	Confident	55 Å²	55	56.2 Å²	56.2	29%	0.294	30%	0.298	S	S	.	.			trans	-74.6	113.3	174.6	-177	-7.3	0	0	0	110.9	S175 E181 R182	S175-D179 VanDerWaalsContact O-CB 3.28Å; S175-D179 WeakPolarHBondContact O-CB 3.47Å; S175-D179 PolarHBondContact O-N 3.25Å; D179-E181 PolarHBondContact O-N 2.96Å; D179-E181 VanDerWaalsContact O-N 3.16Å; D179-E181 WeakPolarHBondContact OD1-CB 3.37Å; D179-E181 PolarHBondContact OD1-N 3.39Å; D179-R182 HydrophobicContact CB-CB 4.38Å; D179-R182 HydrophobicContact CB-CG 4.12Å; D179-R182 PolarHBondContact O-N 3.44Å; D179-R182 VanDerWaalsContact O-N 3.13Å
180	P	80.9	Confident	86.8	Confident	92 Å²	92	53.9 Å²	53.9	60%	0.597	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.2	-21.5	179.3	-21.1	34.3	0	0	0	113.5	K145 T178	K145-P180 WeakPolarHBondContact CE-O 3.45Å; K145-P180 PolarHBondContact NZ-O 2.77Å; T178-P180 VanDerWaalsContact O-CD 3.26Å; T178-P180 WeakPolarHBondContact O-CD 3.45Å
181	E	82.8	Confident	87.1	Confident	165 Å²	165	50.6 Å²	50.6	77%	0.771	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.7	-35.5	177.4	-63.3	-153.4	145.2	0	0	111.6	K145 D179 G183	K145-E181 PolarHBondContact NZ-O 2.91Å; D179-E181 PolarHBondContact O-N 2.96Å; D179-E181 VanDerWaalsContact O-N 3.16Å; D179-E181 WeakPolarHBondContact OD1-CB 3.37Å; D179-E181 PolarHBondContact OD1-N 3.39Å; E181-G183 PolarHBondContact O-N 3.47Å
182	R	83.8	Confident	87.4	Confident	122 Å²	122	50.3 Å²	50.3	46%	0.46	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.6	-21.1	-177.9	-68.4	-155.6	177.7	-171	13.6	114.9	N143 D176 D179 F184	N143-R182 PolarHBondContact ND2-O 3.31Å; D176-R182 VanDerWaalsContact CG-CZ 3.43Å; D176-R182 IonicContact OD1-CZ 3.36Å; D176-R182 IonicContact OD1-NE 2.67Å; D176-R182 IonicContact OD1-NH1 3.83Å; D176-R182 PolarHBondContact OD1-NH1 3.26Å; D176-R182 IonicContact OD1-NH2 3.19Å; D176-R182 PolarHBondContact OD1-NH2 2.61Å; D176-R182 IonicContact OD2-NH1 2.71Å; D176-R182 PolarHBondContact OD2-NH1 2.63Å; D179-R182 HydrophobicContact CB-CB 4.38Å; D179-R182 HydrophobicContact CB-CG 4.12Å; D179-R182 PolarHBondContact O-N 3.44Å; D179-R182 VanDerWaalsContact O-N 3.13Å; R182-F184 HydrophobicContact CB-CD2 3.92Å; R182-F184 HydrophobicContact CB-CE2 4.21Å
183	G	85.1	Confident	87.7	Confident	1 Å²	1	50.5 Å²	50.5	1%	0.01	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	84.1	9.4	170.8	0	0	0	0	0	116.2	N143 Y144 E181	N143-G183 CarbonylContact C-O 3.53Å; N143-G183 WeakPolarHBondContact CA-O 3.42Å; N143-G183 PolarHBondContact OD1-O 3.38Å; Y144-G183 PolarHBondContact N-O 3.08Å; E181-G183 PolarHBondContact O-N 3.47Å
184	F	87.6	Confident	88.1	Confident	17 Å²	17	49.1 Å²	49.1	8%	0.075	26%	0.255	C	S	.	.	S	Bend	trans	-84.2	-11	175.6	-64.1	-71.7	0	0	0	114.1	I141 N143 K149 F151 M172 V177 R182	I141-F184 HydrophobicContact CG2-CB 4.48Å; I141-F184 HydrophobicContact CG2-CD1 3.99Å; N143-F184 HydrophobicContact CB-CD1 3.93Å; N143-F184 HydrophobicContact CB-CE1 3.79Å; K149-F184 WeakPolarHBondContact O-CE1 3.46Å; K149-F184 WeakPolarHBondContact O-CZ 3.34Å; F151-F184 HydrophobicContact CB-CE1 4.37Å; M172-F184 HydrophobicContact CE-CE1 4.19Å; M172-F184 HydrophobicContact CE-CE2 4.19Å; M172-F184 HydrophobicContact CE-CZ 3.97Å; M172-F184 HydrophobicContact SD-CD2 4.12Å; M172-F184 HydrophobicContact SD-CE2 4.12Å; M172-F184 HydrophobicContact SD-CZ 4.48Å; V177-F184 HydrophobicContact CG1-CB 4.37Å; R182-F184 HydrophobicContact CB-CD2 3.92Å; R182-F184 HydrophobicContact CB-CE2 4.21Å
185	I	89	Confident	88.3	Confident	23 Å²	23	51.4 Å²	51.4	12%	0.118	26%	0.264	C	S	.	.			trans	-125.6	134.8	178.3	-165.8	164.6	0	0	0	110	F79 V177 T178 V190	F79-I185 HydrophobicContact CB-CD1 4.5Å; V177-I185 WeakPolarHBondContact O-CB 3.16Å; V177-I185 WeakPolarHBondContact O-CG2 3.41Å; T178-I185 HydrophobicContact CG2-CD1 4.25Å; I185-V190 HydrophobicContact CB-CG2 4.14Å; I185-V190 HydrophobicContact CD1-CG2 4.23Å; I185-V190 HydrophobicContact CG1-CG2 3.99Å
186	D	87.9	Confident	88.6	Confident	101 Å²	101	47.7 Å²	47.7	54%	0.54	24%	0.238	S	C	.	.	B	Isolated β-bridge	trans	-138.4	129.5	173.5	-175.9	37.2	0	0	0	108.9	Y144 D188 K189	Y144-D186 HydrophobicContact CD1-CB 4.33Å; Y144-D186 HydrophobicContact CD2-CB 3.7Å; Y144-D186 HydrophobicContact CE2-CB 3.95Å; Y144-D186 HydrophobicContact CG-CB 3.88Å; D186-D188 PolarHBondContact O-N 3.23Å; D186-D188 VanDerWaalsContact O-N 3.15Å; D186-K189 PolarHBondContact N-O 2.62Å; D186-K189 VanDerWaalsContact N-O 3.15Å; D186-K189 WeakPolarHBondContact O-CA 3.48Å; D186-K189 VanDerWaalsContact O-CB 3.28Å; D186-K189 WeakPolarHBondContact O-CB 3.35Å; D186-K189 PolarHBondContact O-N 3.17Å
187	D	86.1	Confident	88.5	Confident	128 Å²	128	48.8 Å²	48.8	68%	0.684	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	47.3	40.2	-174.3	-164.3	34.4	0	0	0	114.5	K189	D187-K189 WeakPolarHBondContact O-CG 3.33Å; D187-K189 PolarHBondContact O-N 3.46Å
188	D	87.6	Confident	88.4	Confident	44 Å²	44	48.9 Å²	48.9	24%	0.235	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	59	26.5	-174.2	-158	20.4	0	0	0	114.1	R78 F79 S80 D186	R78-D188 WeakPolarHBondContact CA-O 3.14Å; R78-D188 VanDerWaalsContact CA-OD2 3.28Å; R78-D188 WeakPolarHBondContact CA-OD2 3.45Å; R78-D188 PolarHBondContact N-O 3.3Å; F79-D188 PolarHBondContact N-O 2.97Å; F79-D188 PolarHBondContact N-OD1 2.81Å; S80-D188 WeakPolarHBondContact CB-OD1 3.41Å; S80-D188 PolarHBondContact N-OD1 3.45Å; S80-D188 PolarHBondContact OG-OD1 3.22Å; S80-D188 PolarHBondContact OG-OD2 3.28Å; D186-D188 PolarHBondContact O-N 3.23Å; D186-D188 VanDerWaalsContact O-N 3.15Å
189	K	89.9	Confident	88.1	Confident	67 Å²	67	49.9 Å²	49.9	29%	0.291	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	136.5	176.4	-47.9	-170.6	-173.4	-160.8	0	111.5	V75 V76 E77 Y144 D186 D187	V75-K189 HydrophobicContact CG1-CB 4.02Å; V75-K189 HydrophobicContact CG1-CD 4.34Å; V76-K189 WeakPolarHBondContact O-CA 3.45Å; E77-K189 HydrophobicContact CG-CD 4.13Å; E77-K189 HydrophobicContact CG-CG 4.32Å; E77-K189 WeakPolarHBondContact OE1-CE 3.46Å; E77-K189 IonicContact OE1-NZ 2.75Å; E77-K189 PolarHBondContact OE1-NZ 2.82Å; Y144-K189 WeakPolarHBondContact CE2-O 3.33Å; Y144-K189 PolarHBondContact OH-O 2.57Å; D186-K189 PolarHBondContact N-O 2.62Å; D186-K189 VanDerWaalsContact N-O 3.15Å; D186-K189 WeakPolarHBondContact O-CA 3.48Å; D186-K189 VanDerWaalsContact O-CB 3.28Å; D186-K189 WeakPolarHBondContact O-CB 3.35Å; D186-K189 PolarHBondContact O-N 3.17Å; D187-K189 WeakPolarHBondContact O-CG 3.33Å; D187-K189 PolarHBondContact O-N 3.46Å
190	V	92.7	Very high	87.6	Confident	0 Å²	0	47.7 Å²	47.7	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	130.4	175	-179.1	0	0	0	0	109.3	V76 F79 I141 V177 I185 F192	V76-V190 PolarHBondContact N-O 3.3Å; V76-V190 PolarHBondContact O-N 2.81Å; F79-V190 HydrophobicContact CB-CB 4.37Å; F79-V190 HydrophobicContact CB-CG2 3.76Å; F79-V190 HydrophobicContact CD1-CB 4.49Å; F79-V190 HydrophobicContact CD1-CG2 3.6Å; F79-V190 HydrophobicContact CD2-CB 4.01Å; F79-V190 HydrophobicContact CD2-CG2 3.97Å; F79-V190 HydrophobicContact CE1-CG2 4.18Å; F79-V190 HydrophobicContact CE2-CB 4.45Å; F79-V190 HydrophobicContact CG-CB 4.03Å; F79-V190 HydrophobicContact CG-CG2 3.48Å; F79-V190 VanDerWaalsContact CG-CG2 3.48Å; I141-V190 HydrophobicContact CG2-CG1 3.83Å; V177-V190 HydrophobicContact CG1-CG1 4.01Å; V177-V190 HydrophobicContact CG1-CG2 3.74Å; I185-V190 HydrophobicContact CB-CG2 4.14Å; I185-V190 HydrophobicContact CD1-CG2 4.23Å; I185-V190 HydrophobicContact CG1-CG2 3.99Å; V190-F192 HydrophobicContact CB-CE2 3.92Å; V190-F192 HydrophobicContact CB-CZ 4.42Å; V190-F192 HydrophobicContact CG1-CD2 4.22Å; V190-F192 HydrophobicContact CG1-CE2 3.55Å; V190-F192 HydrophobicContact CG1-CZ 3.72Å
191	T	92.5	Very high	87.3	Confident	13 Å²	13	43.4 Å²	43.4	8%	0.08	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	120.3	-179.8	-61.5	0	0	0	0	110.8	R73 V75 I142 Y144	R73-T191 HydrophobicContact CB-CG2 4.32Å; V75-T191 HydrophobicContact CG2-CG2 4.23Å; I142-T191 HydrophobicContact CB-CG2 4.48Å; I142-T191 HydrophobicContact CD1-CG2 4.14Å; I142-T191 HydrophobicContact CG1-CG2 4.35Å; I142-T191 PolarHBondContact N-O 2.74Å; Y144-T191 PolarHBondContact OH-N 3.03Å; Y144-T191 PolarHBondContact OH-OG1 2.77Å
192	F	94.9	Very high	86.5	Confident	0 Å²	0	38.3 Å²	38.3	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	134.9	173.7	-62.4	-94.8	0	0	0	109.1	R73 F74 V76 F79 I100 V102 V116 F118 I141 V190	R73-F192 CarbonylContact C-O 3.55Å; R73-F192 WeakPolarHBondContact CA-O 3.32Å; F74-F192 PolarHBondContact N-O 3.36Å; F74-F192 PolarHBondContact O-N 3.22Å; V76-F192 HydrophobicContact CB-CE2 4.27Å; V76-F192 HydrophobicContact CG2-CD2 3.92Å; V76-F192 HydrophobicContact CG2-CE2 3.81Å; F79-F192 HydrophobicContact CD2-CE2 4.32Å; F79-F192 AromaticContact CE2-CE2 3.92Å; F79-F192 HydrophobicContact CE2-CE2 3.92Å; F79-F192 AromaticContact CE2-CZ 3.7Å; F79-F192 HydrophobicContact CE2-CZ 3.7Å; F79-F192 HydrophobicContact CZ-CZ 4.18Å; I100-F192 HydrophobicContact CG2-CB 4.16Å; V102-F192 HydrophobicContact CB-CZ 4.45Å; V102-F192 HydrophobicContact CG1-CE1 4.01Å; V102-F192 HydrophobicContact CG1-CE2 3.95Å; V102-F192 HydrophobicContact CG1-CZ 3.58Å; V102-F192 HydrophobicContact CG2-CD1 3.81Å; V102-F192 HydrophobicContact CG2-CD2 3.85Å; V102-F192 HydrophobicContact CG2-CE1 3.91Å; V102-F192 HydrophobicContact CG2-CE2 3.96Å; V102-F192 HydrophobicContact CG2-CG 3.79Å; V102-F192 HydrophobicContact CG2-CZ 4Å; V116-F192 HydrophobicContact CG1-CE1 3.96Å; V116-F192 HydrophobicContact CG1-CZ 4.03Å; F118-F192 AromaticContact CD1-CD1 3.68Å; F118-F192 HydrophobicContact CD1-CD1 3.68Å; F118-F192 HydrophobicContact CD1-CE1 4.23Å; F118-F192 HydrophobicContact CD2-CD1 4.17Å; F118-F192 HydrophobicContact CE1-CB 4.24Å; F118-F192 AromaticContact CE1-CD1 3.67Å; F118-F192 HydrophobicContact CE1-CD1 3.67Å; F118-F192 HydrophobicContact CE1-CG 4.45Å; F118-F192 HydrophobicContact CE2-CB 4.22Å; F118-F192 HydrophobicContact CE2-CD1 4.21Å; F118-F192 AromaticContact CG-CD1 3.94Å; F118-F192 HydrophobicContact CG-CD1 3.94Å; F118-F192 HydrophobicContact CG-CE1 4.36Å; F118-F192 HydrophobicContact CZ-CB 3.82Å; F118-F192 AromaticContact CZ-CD1 3.96Å; F118-F192 HydrophobicContact CZ-CD1 3.96Å; F118-F192 HydrophobicContact CZ-CG 4.38Å; I141-F192 HydrophobicContact CD1-CD1 4.25Å; I141-F192 HydrophobicContact CD1-CE1 3.67Å; I141-F192 HydrophobicContact CD1-CZ 4.44Å; I141-F192 HydrophobicContact CG1-CD1 3.75Å; I141-F192 HydrophobicContact CG1-CE1 3.68Å; V190-F192 HydrophobicContact CB-CE2 3.92Å; V190-F192 HydrophobicContact CB-CZ 4.42Å; V190-F192 HydrophobicContact CG1-CD2 4.22Å; V190-F192 HydrophobicContact CG1-CE2 3.55Å; V190-F192 HydrophobicContact CG1-CZ 3.72Å
193	E	95.6	Very high	85.2	Confident	25 Å²	25	34 Å²	34	12%	0.117	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	136.8	177.5	-179.6	176.2	73.2	0	0	109.2	T71 R73 K140 I142	T71-E193 HydrophobicContact CG2-CG 3.69Å; R73-E193 HydrophobicContact CG-CB 3.97Å; R73-E193 HydrophobicContact CG-CG 3.93Å; R73-E193 IonicContact CZ-OE2 3.64Å; R73-E193 IonicContact NE-OE2 3.32Å; R73-E193 PolarHBondContact NE-OE2 2.91Å; R73-E193 IonicContact NH2-OE2 2.94Å; R73-E193 PolarHBondContact NH2-OE2 2.87Å; K140-E193 HydrophobicContact CB-CB 4.28Å; K140-E193 WeakPolarHBondContact CD-OE1 3.49Å; K140-E193 PolarHBondContact N-O 2.68Å; K140-E193 PolarHBondContact O-N 2.83Å; I142-E193 HydrophobicContact CD1-CB 4.27Å; I142-E193 HydrophobicContact CG1-CB 4.36Å
194	V	95.1	Very high	84.1	Confident	0 Å²	0	36.8 Å²	36.8	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	127	169.3	173.3	0	0	0	0	109.2	T71 F72 I100 F118 L120 A137 M138 L139 V196	T71-V194 CarbonylContact C-O 3.59Å; T71-V194 VanDerWaalsContact CA-O 3.29Å; T71-V194 WeakPolarHBondContact CA-O 3.29Å; F72-V194 HydrophobicContact CE1-CB 4.33Å; F72-V194 HydrophobicContact CE1-CG1 4.27Å; F72-V194 HydrophobicContact CZ-CB 4.35Å; F72-V194 HydrophobicContact CZ-CG1 4.45Å; F72-V194 PolarHBondContact N-O 2.88Å; F72-V194 PolarHBondContact O-N 2.88Å; I100-V194 HydrophobicContact CD1-CB 4.11Å; I100-V194 HydrophobicContact CD1-CG2 3.83Å; I100-V194 HydrophobicContact CG1-CB 4.09Å; I100-V194 HydrophobicContact CG1-CG2 3.55Å; F118-V194 HydrophobicContact CE2-CG2 3.83Å; F118-V194 HydrophobicContact CZ-CG2 3.65Å; L120-V194 HydrophobicContact CD1-CG1 4.02Å; L120-V194 HydrophobicContact CD2-CG1 4.08Å; A137-V194 HydrophobicContact CB-CG1 4.1Å; M138-V194 WeakPolarHBondContact O-CA 3.5Å; L139-V194 HydrophobicContact CD1-CG2 4.34Å; L139-V194 HydrophobicContact CG-CG2 3.99Å; V194-V196 HydrophobicContact CG1-CB 4.17Å
195	Y	93.6	Very high	82.7	Confident	72 Å²	72	40.7 Å²	40.7	28%	0.282	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	118	158.7	168	-107.3	0	0	0	108	E69 A70 T71 A137 M138	E69-Y195 HydrophobicContact CB-CE2 3.99Å; E69-Y195 HydrophobicContact CG-CE2 4.34Å; E69-Y195 PolarHBondContact OE2-OH 3.31Å; A70-Y195 CarbonylContact O-C 3.54Å; A70-Y195 VanDerWaalsContact O-CA 3.31Å; A70-Y195 WeakPolarHBondContact O-CA 3.1Å; T71-Y195 VanDerWaalsContact OG1-CD2 3.3Å; T71-Y195 WeakPolarHBondContact OG1-CD2 3.19Å; A137-Y195 CarbonylContact C-O 3.59Å; A137-Y195 WeakPolarHBondContact CA-O 3.43Å; A137-Y195 WeakPolarHBondContact CB-O 3.47Å; M138-Y195 PolarHBondContact N-O 2.84Å; M138-Y195 PolarHBondContact O-N 2.85Å
196	V	90.4	Very high	81.5	Confident	0 Å²	0	41.4 Å²	41.4	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	138	179.1	62.7	0	0	0	0	109.6	E69 A70 F72 V93 W98 L120 A135 Q136 A137 V194	E69-V196 CarbonylContact C-O 3.53Å; E69-V196 WeakPolarHBondContact CA-O 3.21Å; E69-V196 WeakPolarHBondContact CB-O 3.27Å; A70-V196 HydrophobicContact CB-CG1 4.31Å; A70-V196 PolarHBondContact N-O 2.83Å; A70-V196 PolarHBondContact O-N 2.82Å; F72-V196 HydrophobicContact CE1-CG1 3.87Å; V93-V196 HydrophobicContact CG2-CG1 3.88Å; W98-V196 HydrophobicContact CD2-CG2 4.28Å; W98-V196 HydrophobicContact CE3-CG2 3.97Å; W98-V196 HydrophobicContact CH2-CG2 4.27Å; W98-V196 HydrophobicContact CZ3-CG2 3.96Å; L120-V196 HydrophobicContact CD2-CB 4.16Å; L120-V196 HydrophobicContact CD2-CG2 3.88Å; A135-V196 HydrophobicContact CB-CG2 4.01Å; Q136-V196 CarbonylContact O-C 3.51Å; Q136-V196 WeakPolarHBondContact O-CA 3.47Å; A137-V196 HydrophobicContact CB-CB 4.11Å; A137-V196 HydrophobicContact CB-CG2 4.16Å; V194-V196 HydrophobicContact CG1-CB 4.17Å
197	Q	86.7	Confident	80.5	Confident	62 Å²	62	39.9 Å²	39.9	29%	0.29	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	117.5	169.2	-175.9	179.7	7.2	0	0	107.6	S68 E69 A135 Q136	S68-Q197 CarbonylContact O-C 3.28Å; S68-Q197 WeakPolarHBondContact O-CA 3.46Å; E69-Q197 HydrophobicContact CB-CB 4.18Å; E69-Q197 HydrophobicContact CB-CG 4.29Å; A135-Q197 CarbonylContact C-O 3.52Å; A135-Q197 VanDerWaalsContact CA-O 3.24Å; A135-Q197 WeakPolarHBondContact CA-O 3.32Å; A135-Q197 WeakPolarHBondContact CB-O 3.41Å; Q136-Q197 PolarHBondContact N-O 3Å; Q136-Q197 PolarHBondContact O-N 3.17Å
198	A	83.3	Confident	80	Confident	1 Å²	1	34.1 Å²	34.1	1%	0.008	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	137.6	-171.4	0	0	0	0	0	112.5	S68 V93 R94 W98 A135	S68-A198 PolarHBondContact O-N 3.5Å; V93-A198 HydrophobicContact CG1-CB 3.98Å; R94-A198 HydrophobicContact CG-CB 4.13Å; R94-A198 WeakPolarHBondContact CG-O 3.37Å; R94-A198 PolarHBondContact NE-O 3.23Å; R94-A198 VanDerWaalsContact NE-O 3.09Å; W98-A198 HydrophobicContact CH2-CB 4.32Å; W98-A198 HydrophobicContact CZ2-CB 3.61Å; A135-A198 HydrophobicContact CB-CB 3.96Å
199	D	80.1	Confident	79.4	Confident	60 Å²	60	34.6 Å²	34.6	32%	0.321	19%	0.192	S	C	.	.	P	Polyproline II helix	trans	-74.6	160.3	172	-65.6	-30.1	0	0	0	110.7	C133 H134	C133-D199 PolarHBondContact SG-O 2.77Å; H134-D199 HydrophobicContact CB-CB 4.4Å; H134-D199 WeakPolarHBondContact CB-OD2 3.29Å; H134-D199 IonicContact CG-OD2 3.72Å; H134-D199 IonicContact ND1-OD2 2.73Å; H134-D199 PolarHBondContact ND1-OD2 2.78Å; H134-D199 WeakPolarHBondContact O-CB 3.33Å; H134-D199 PolarHBondContact O-N 2.83Å
200	A	74.4	Confident	78.5	Confident	8 Å²	8	38.9 Å²	38.9	7%	0.066	21%	0.211	C	C	.	.	P	Polyproline II helix	trans	-60.9	132	176.3	0	0	0	0	0	110.5	H202 W206 V492	A200-H202 PolarHBondContact O-ND1 2.98Å; A200-W206 HydrophobicContact CB-CZ2 4.38Å; A200-V492 HydrophobicContact CB-CG1 3.76Å
201	P	75.1	Confident	77.2	Confident	2 Å²	2	40.9 Å²	40.9	1%	0.013	22%	0.22	C	C	.	.	P	Polyproline II helix	trans	-74.4	138.5	-175.3	30.3	-35.8	0	0	0	111.6	L96 S132 C133 V204 W206	L96-P201 HydrophobicContact CD1-CB 3.72Å; L96-P201 HydrophobicContact CD1-CG 4.27Å; L96-P201 HydrophobicContact CG-CB 4.19Å; L96-P201 HydrophobicContact CG-CG 4.22Å; S132-P201 CarbonylContact O-C 3.57Å; S132-P201 VanDerWaalsContact O-CA 3.28Å; S132-P201 WeakPolarHBondContact O-CA 3.09Å; C133-P201 HydrophobicContact CB-CB 4.23Å; P201-V204 HydrophobicContact CB-CG2 4.11Å; P201-W206 HydrophobicContact CG-CE3 4.01Å
202	H	64.9	Low	76.4	Confident	59 Å²	59	40.8 Å²	40.8	27%	0.273	22%	0.22	S	C	.	.	B	Isolated β-bridge	trans	-92.6	152.5	172	-63.5	75.2	0	0	0	109.6	W131 S132 A200 V204	W131-H202 CarbonylContact C-O 3.46Å; W131-H202 WeakPolarHBondContact CA-O 3.44Å; S132-H202 PolarHBondContact N-O 2.91Å; S132-H202 PolarHBondContact O-N 2.78Å; A200-H202 PolarHBondContact O-ND1 2.98Å; H202-V204 PolarHBondContact O-N 2.84Å; H202-V204 VanDerWaalsContact O-N 3.11Å
203	G	57.5	Low	75.7	Confident	32 Å²	32	43 Å²	43	33%	0.33	24%	0.243	S	C	.	.	S	Bend	trans	67.4	11	171.2	0	0	0	0	0	116.5	S130	S130-G203 WeakPolarHBondContact O-CA 3.32Å; S130-G203 PolarHBondContact OG-O 2.8Å; S130-G203 VanDerWaalsContact OG-O 3.08Å
204	V	60.8	Low	75.3	Confident	58 Å²	58	44.1 Å²	44.1	35%	0.352	25%	0.246	S	C	.	.	S	Bend	trans	-103.3	165.2	167.2	-169.5	0	0	0	0	108	L96 W131 P201 H202 W206	L96-V204 HydrophobicContact CD2-CG1 4.45Å; L96-V204 HydrophobicContact CD2-CG2 4.24Å; W131-V204 HydrophobicContact CB-CG2 3.32Å; W131-V204 HydrophobicContact CG-CG2 4.25Å; P201-V204 HydrophobicContact CB-CG2 4.11Å; H202-V204 PolarHBondContact O-N 2.84Å; H202-V204 VanDerWaalsContact O-N 3.11Å; V204-W206 PolarHBondContact O-N 3.29Å
205	A	58.2	Low	74.9	Confident	100 Å²	100	44.3 Å²	44.3	83%	0.826	25%	0.248	S	C	*	.			trans	-65.7	67.9	169.8	0	0	0	0	0	111.6	D207	A205-D207 PolarHBondContact O-N 2.86Å
206	W	63.8	Low	74.7	Confident	38 Å²	38	40.9 Å²	40.9	14%	0.144	23%	0.234	C	C	.	.			trans	-85	104.2	172.9	-178.6	-96.7	0	0	0	109.2	A200 P201 V204 S208 H211 V492 V493	A200-W206 HydrophobicContact CB-CZ2 4.38Å; P201-W206 HydrophobicContact CG-CE3 4.01Å; V204-W206 PolarHBondContact O-N 3.29Å; W206-S208 VanDerWaalsContact C-N 3.33Å; W206-S208 VanDerWaalsContact CD1-OG 3.25Å; W206-S208 PolarHBondContact O-N 3.22Å; W206-H211 HydrophobicContact CZ2-CB 4.24Å; W206-V492 HydrophobicContact CG-CG1 4.42Å; W206-V493 PolarHBondContact NE1-O 3.45Å
207	D	66.8	Low	74.6	Confident	68 Å²	68	40.9 Å²	40.9	36%	0.364	23%	0.234	S	C	.	.			trans	-79.9	80.2	176	-171.9	-22.7	0	0	0	110.5	A205 K209 K210 H211	A205-D207 PolarHBondContact O-N 2.86Å; D207-K209 PolarHBondContact O-N 2.98Å; D207-K209 PolarHBondContact OD1-N 3.28Å; D207-K210 HydrophobicContact CB-CB 3.97Å; D207-K210 VanDerWaalsContact CG-CB 3.45Å; D207-K210 PolarHBondContact O-N 2.96Å; D207-K210 PolarHBondContact OD1-N 3.02Å; D207-H211 PolarHBondContact O-N 3.14Å; D207-H211 PolarHBondContact O-ND1 3.33Å
208	S	75.4	Confident	74.5	Confident	7 Å²	7	43.3 Å²	43.3	5%	0.049	24%	0.243	C	C	.	.	H	α-helix	trans	-46	-37.8	178.6	-67.8	0	0	0	0	113	W206 T212 Y214 D491 V493	W206-S208 VanDerWaalsContact C-N 3.33Å; W206-S208 VanDerWaalsContact CD1-OG 3.25Å; W206-S208 PolarHBondContact O-N 3.22Å; S208-T212 WeakPolarHBondContact O-CB 3.47Å; S208-T212 PolarHBondContact O-N 3.39Å; S208-T212 PolarHBondContact O-OG1 2.91Å; S208-Y214 CarbonylContact C-O 3.58Å; S208-Y214 WeakPolarHBondContact CB-O 3.44Å; S208-Y214 VanDerWaalsContact O-O 3.12Å; S208-D491 PolarHBondContact OG-O 2.73Å; S208-V493 PolarHBondContact OG-N 3.29Å
209	K	75.9	Confident	74.3	Confident	54 Å²	54	46 Å²	46	24%	0.235	26%	0.258	C	S	.	.	H	α-helix	trans	-73.8	-44.3	-175.6	-163.6	173.8	-177.5	173.7	0	112.2	D207 H211 G213 Y214 V215 H270 S271 D272	D207-K209 PolarHBondContact O-N 2.98Å; D207-K209 PolarHBondContact OD1-N 3.28Å; K209-H211 PolarHBondContact O-N 2.88Å; K209-G213 WeakPolarHBondContact O-CA 3.4Å; K209-G213 PolarHBondContact O-N 3.22Å; K209-Y214 VanDerWaalsContact CA-O 3.32Å; K209-Y214 WeakPolarHBondContact CA-O 3.36Å; K209-Y214 PolarHBondContact N-O 3.48Å; K209-V215 HydrophobicContact CB-CG1 3.76Å; K209-V215 HydrophobicContact CD-CG1 4.04Å; K209-V215 HydrophobicContact CG-CG1 4.19Å; K209-H270 PolarHBondContact NZ-O 2.73Å; K209-S271 WeakPolarHBondContact CD-O 3.2Å; K209-S271 PolarHBondContact NZ-O 3.46Å; K209-D272 HydrophobicContact CD-CB 4.21Å; K209-D272 WeakPolarHBondContact CD-OD1 3.4Å; K209-D272 VanDerWaalsContact CE-OD1 3.28Å; K209-D272 WeakPolarHBondContact CE-OD1 3.09Å; K209-D272 IonicContact NZ-OD1 3.48Å; K209-D272 PolarHBondContact NZ-OD1 3.43Å
210	K	69.8	Low	74	Confident	158 Å²	158	45.1 Å²	45.1	69%	0.687	25%	0.252	S	S	*	.	H	α-helix	trans	-58	-39.4	175.3	-174.2	-179.9	178.2	-173.9	0	111.6	D207	D207-K210 HydrophobicContact CB-CB 3.97Å; D207-K210 VanDerWaalsContact CG-CB 3.45Å; D207-K210 PolarHBondContact O-N 2.96Å; D207-K210 PolarHBondContact OD1-N 3.02Å
211	H	65.8	Low	74	Confident	41 Å²	41	46.7 Å²	46.7	19%	0.19	27%	0.269	C	S	.	.	H	α-helix	trans	-85.1	-38	-174	-60.3	91.8	0	0	0	113.6	W66 W206 D207 K209 R495	W66-H211 AromaticContact CE3-CD2 3.92Å; W66-H211 AromaticContact CE3-NE2 3.7Å; W66-H211 AromaticContact CZ3-CD2 3.97Å; W66-H211 AromaticContact CZ3-NE2 3.29Å; W66-H211 VanDerWaalsContact CZ3-NE2 3.29Å; W66-H211 WeakPolarHBondContact CZ3-NE2 3.41Å; W206-H211 HydrophobicContact CZ2-CB 4.24Å; D207-H211 PolarHBondContact O-N 3.14Å; D207-H211 PolarHBondContact O-ND1 3.33Å; K209-H211 PolarHBondContact O-N 2.88Å; H211-R495 PolarHBondContact O-NE 3.11Å; H211-R495 PolarHBondContact O-NH2 2.99Å
212	T	75.4	Confident	74.1	Confident	11 Å²	11	47.1 Å²	47.1	7%	0.067	27%	0.273	C	S	.	.	H	α-helix	trans	-114.1	-17.9	-171.3	72.1	0	0	0	0	113.9	S208 Y214 V493 R495	S208-T212 WeakPolarHBondContact O-CB 3.47Å; S208-T212 PolarHBondContact O-N 3.39Å; S208-T212 PolarHBondContact O-OG1 2.91Å; T212-Y214 VanDerWaalsContact C-N 3.28Å; T212-Y214 VanDerWaalsContact O-CD2 3.29Å; T212-Y214 WeakPolarHBondContact O-CD2 3.37Å; T212-Y214 WeakPolarHBondContact O-CE2 3.28Å; T212-Y214 PolarHBondContact OG1-N 2.85Å; T212-Y214 VanDerWaalsContact OG1-N 3.14Å; T212-Y214 PolarHBondContact OG1-O 3.28Å; T212-V493 HydrophobicContact CG2-CB 4.34Å; T212-V493 HydrophobicContact CG2-CG1 4.07Å; T212-V493 WeakPolarHBondContact CG2-O 3.38Å; T212-R495 HydrophobicContact CG2-CG 4.25Å
213	G	80.4	Confident	74.9	Confident	47 Å²	47	44.3 Å²	44.3	49%	0.485	26%	0.26	S	S	.	.	S	Bend	trans	84.6	-4.1	-168.1	0	0	0	0	0	113.9	K209	K209-G213 WeakPolarHBondContact O-CA 3.4Å; K209-G213 PolarHBondContact O-N 3.22Å
214	Y	87.5	Confident	76.3	Confident	49 Å²	49	43 Å²	43	19%	0.192	25%	0.245	C	C	.	.			trans	-129.6	160	-174	-49.2	-69.7	0	0	0	112.2	S208 K209 T212 F235 P472 F488	S208-Y214 CarbonylContact C-O 3.58Å; S208-Y214 WeakPolarHBondContact CB-O 3.44Å; S208-Y214 VanDerWaalsContact O-O 3.12Å; K209-Y214 VanDerWaalsContact CA-O 3.32Å; K209-Y214 WeakPolarHBondContact CA-O 3.36Å; K209-Y214 PolarHBondContact N-O 3.48Å; T212-Y214 VanDerWaalsContact C-N 3.28Å; T212-Y214 VanDerWaalsContact O-CD2 3.29Å; T212-Y214 WeakPolarHBondContact O-CD2 3.37Å; T212-Y214 WeakPolarHBondContact O-CE2 3.28Å; T212-Y214 PolarHBondContact OG1-N 2.85Å; T212-Y214 VanDerWaalsContact OG1-N 3.14Å; T212-Y214 PolarHBondContact OG1-O 3.28Å; Y214-F235 AromaticContact CD1-CE1 3.56Å; Y214-F235 HydrophobicContact CD1-CE1 3.56Å; Y214-F235 AromaticContact CD1-CZ 3.57Å; Y214-F235 HydrophobicContact CD1-CZ 3.57Å; Y214-F235 AromaticContact CE1-CE1 3.54Å; Y214-F235 HydrophobicContact CE1-CE1 3.54Å; Y214-F235 AromaticContact CE1-CZ 4Å; Y214-F235 HydrophobicContact CE1-CZ 4Å; Y214-F235 HydrophobicContact CG-CE1 4.33Å; Y214-F235 AromaticContact CG-CZ 3.93Å; Y214-F235 HydrophobicContact CG-CZ 3.93Å; Y214-P472 HydrophobicContact CD2-CG 4.47Å; Y214-P472 HydrophobicContact CE1-CB 4.24Å; Y214-P472 HydrophobicContact CE1-CG 4.43Å; Y214-P472 HydrophobicContact CE2-CB 4.29Å; Y214-P472 HydrophobicContact CE2-CG 3.84Å; Y214-P472 WeakPolarHBondContact OH-CB 2.97Å; Y214-F488 HydrophobicContact CD2-CZ 4.18Å; Y214-F488 HydrophobicContact CG-CE1 4.48Å; Y214-F488 HydrophobicContact CG-CZ 4.18Å
215	V	87.7	Confident	77.6	Confident	4 Å²	4	40.2 Å²	40.2	2%	0.024	23%	0.229	C	C	.	.			trans	-117.6	151.3	178.8	-68.8	0	0	0	0	112.1	K209 Q231 L268 S271 V275	K209-V215 HydrophobicContact CB-CG1 3.76Å; K209-V215 HydrophobicContact CD-CG1 4.04Å; K209-V215 HydrophobicContact CG-CG1 4.19Å; V215-Q231 PolarHBondContact O-NE2 3.03Å; V215-L268 HydrophobicContact CG2-CD2 4.01Å; V215-L268 WeakPolarHBondContact CG2-O 3.35Å; V215-S271 WeakPolarHBondContact CG1-O 3.49Å; V215-V275 HydrophobicContact CG2-CG2 4.17Å
216	G	88.8	Confident	79.1	Confident	0 Å²	0	35.6 Å²	35.6	0%	0	19%	0.19	C	C	.	.			trans	-84	-178.5	176.5	0	0	0	0	0	113.9	P274 V275 D490	G216-P274 CarbonylContact O-C 3.54Å; G216-P274 WeakPolarHBondContact O-CA 3.26Å; G216-V275 PolarHBondContact O-N 2.92Å; G216-D490 CarbonylContact C-O 3.48Å; G216-D490 WeakPolarHBondContact CA-O 3.42Å
217	L	89.1	Confident	80.5	Confident	0 Å²	0	34 Å²	34	0%	0	18%	0.184	C	C	.	.	B	Isolated β-bridge	trans	-117.7	133.7	176	-69.8	161.2	0	0	0	109.7	N219 N227 L230 Q231 V264 L268 V275 T277 D490 D491	L217-N219 PolarHBondContact O-N 3.22Å; L217-N227 HydrophobicContact CB-CB 4.02Å; L217-N227 WeakPolarHBondContact CB-OD1 3.44Å; L217-N227 HydrophobicContact CD1-CB 3.97Å; L217-N227 WeakPolarHBondContact CD1-O 3.41Å; L217-L230 HydrophobicContact CD1-CB 3.75Å; L217-L230 HydrophobicContact CD1-CD1 4.2Å; L217-Q231 HydrophobicContact CD1-CG 3.9Å; L217-V264 HydrophobicContact CD2-CG1 3.98Å; L217-L268 HydrophobicContact CD2-CD1 4.32Å; L217-L268 HydrophobicContact CD2-CD2 3.94Å; L217-L268 HydrophobicContact CD2-CG 4.27Å; L217-L268 HydrophobicContact CG-CD2 4.09Å; L217-V275 CarbonylContact C-O 3.57Å; L217-V275 WeakPolarHBondContact CA-O 3.46Å; L217-V275 HydrophobicContact CD2-CB 3.75Å; L217-V275 HydrophobicContact CD2-CG1 3.97Å; L217-T277 HydrophobicContact CD2-CG2 3.77Å; L217-D490 PolarHBondContact N-O 3.33Å; L217-D490 CarbonylContact O-C 3.53Å; L217-D490 WeakPolarHBondContact O-CA 3.5Å; L217-D491 PolarHBondContact O-N 2.96Å; L217-D491 VanDerWaalsContact O-N 3.1Å
218	K	83.9	Confident	81.8	Confident	112 Å²	112	30.9 Å²	30.9	49%	0.487	17%	0.168	S	C	.	.			trans	-66.9	128.1	178.2	-66.4	-178.1	173.8	176	0	110.5	P274 V275	K218-P274 WeakPolarHBondContact CE-O 3.16Å; K218-P274 HydrophobicContact CG-CB 3.75Å; K218-V275 PolarHBondContact N-O 3.15Å
219	N	80.1	Confident	82.7	Confident	58 Å²	58	30.6 Å²	30.6	31%	0.31	17%	0.166	S	C	.	.			trans	-73.2	133.8	169.8	-164.5	-18.2	0	0	0	110.6	L217 G221 T223 D490	L217-N219 PolarHBondContact O-N 3.22Å; N219-G221 VanDerWaalsContact OD1-C 3.23Å; N219-G221 PolarHBondContact OD1-N 3.26Å; N219-G221 PolarHBondContact OD1-O 3.02Å; N219-T223 PolarHBondContact OD1-N 3.21Å; N219-T223 PolarHBondContact OD1-OG1 3.01Å; N219-D490 HydrophobicContact CB-CB 4.15Å; N219-D490 WeakPolarHBondContact CB-OD2 3.39Å; N219-D490 PolarHBondContact ND2-OD2 2.95Å
220	Q	73.5	Confident	83.7	Confident	41 Å²	41	28.1 Å²	28.1	19%	0.192	16%	0.155	C	C	.	.			trans	-94.9	-0.1	176.7	-60.2	-177.3	52.2	0	0	113.1	T223 T277 K278 T281	Q220-T223 HydrophobicContact CB-CG2 3.91Å; Q220-T223 PolarHBondContact N-OG1 2.88Å; Q220-T223 VanDerWaalsContact N-OG1 3.1Å; Q220-T277 PolarHBondContact NE2-O 3.32Å; Q220-T277 PolarHBondContact NE2-OG1 3.02Å; Q220-K278 HydrophobicContact CG-CG 4.3Å; Q220-K278 VanDerWaalsContact NE2-N 3.15Å; Q220-T281 PolarHBondContact OE1-OG1 3.25Å
221	G	73.5	Confident	84.9	Confident	41 Å²	41	20.8 Å²	20.8	42%	0.423	12%	0.123	S	C	.	.	S	Bend	trans	144.1	-75.9	-176	0	0	0	0	0	110.1	N219	N219-G221 VanDerWaalsContact OD1-C 3.23Å; N219-G221 PolarHBondContact OD1-N 3.26Å; N219-G221 PolarHBondContact OD1-O 3.02Å
222	A	76.4	Confident	86.3	Confident	12 Å²	12	18.9 Å²	18.9	10%	0.099	12%	0.115	C	C	.	.	S	Bend	trans	-122.9	27	-179.9	0	0	0	0	0	112.9	C224 Y225 S291 F292 Q294	A222-C224 PolarHBondContact O-N 3.1Å; A222-Y225 WeakPolarHBondContact O-CD1 3.46Å; A222-Y225 WeakPolarHBondContact O-CE1 3.38Å; A222-S291 PolarHBondContact N-O 2.98Å; A222-F292 WeakPolarHBondContact CB-O 3.43Å; A222-Q294 HydrophobicContact CB-CG 4.23Å
223	T	83.7	Confident	87.3	Confident	0 Å²	0	18.5 Å²	18.5	0%	0	11%	0.112	C	C	.	.			trans	-92.8	16.2	-170.8	60.5	0	0	0	0	114.7	N219 Q220 Y225 M226 N227	N219-T223 PolarHBondContact OD1-N 3.21Å; N219-T223 PolarHBondContact OD1-OG1 3.01Å; Q220-T223 HydrophobicContact CB-CG2 3.91Å; Q220-T223 PolarHBondContact N-OG1 2.88Å; Q220-T223 VanDerWaalsContact N-OG1 3.1Å; T223-Y225 VanDerWaalsContact C-N 3.32Å; T223-Y225 PolarHBondContact O-N 3.34Å; T223-M226 HydrophobicContact CG2-CE 4.36Å; T223-M226 WeakPolarHBondContact O-CB 3.18Å; T223-M226 PolarHBondContact O-N 3.4Å; T223-M226 VanDerWaalsContact O-N 3.16Å; T223-N227 PolarHBondContact O-N 3.19Å
224	C	85.4	Confident	88	Confident	4 Å²	4	16.6 Å²	16.6	3%	0.027	9%	0.09	C	C	.	.	H	α-helix	trans	-64.1	-31.7	-174.1	51.5	0	0	0	0	113.4	A222 M226 N227 S228 Y466	A222-C224 PolarHBondContact O-N 3.1Å; C224-M226 PolarHBondContact O-N 2.85Å; C224-N227 PolarHBondContact O-N 2.85Å; C224-S228 WeakPolarHBondContact O-CB 3.41Å; C224-S228 PolarHBondContact O-N 3.28Å; C224-S228 PolarHBondContact O-OG 2.9Å; C224-Y466 PolarHBondContact SG-N 2.8Å
225	Y	88.3	Confident	88.4	Confident	0 Å²	0	14.6 Å²	14.6	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-62.3	-42.9	173.4	61.3	-89	0	0	0	111.5	A222 T223 S228 L229 W286 M293 H295 L300	A222-Y225 WeakPolarHBondContact O-CD1 3.46Å; A222-Y225 WeakPolarHBondContact O-CE1 3.38Å; T223-Y225 VanDerWaalsContact C-N 3.32Å; T223-Y225 PolarHBondContact O-N 3.34Å; Y225-S228 PolarHBondContact O-N 2.81Å; Y225-L229 WeakPolarHBondContact O-CB 3.49Å; Y225-L229 PolarHBondContact O-N 3.34Å; Y225-W286 HydrophobicContact CE2-CH2 4.22Å; Y225-W286 WeakPolarHBondContact OH-CH2 3.05Å; Y225-W286 WeakPolarHBondContact OH-CZ3 3.37Å; Y225-M293 PolarHBondContact OH-O 2.94Å; Y225-H295 HydrophobicContact CD2-CB 4.31Å; Y225-H295 HydrophobicContact CE1-CB 4.33Å; Y225-H295 HydrophobicContact CE2-CB 3.73Å; Y225-H295 AromaticContact CZ-CD2 3.9Å; Y225-H295 PolarHBondContact OH-CD2 3.33Å; Y225-H295 VanDerWaalsContact OH-CD2 3.23Å; Y225-L300 HydrophobicContact CD2-CD2 3.75Å; Y225-L300 HydrophobicContact CE2-CD2 3.72Å
226	M	91.1	Very high	88.7	Confident	2 Å²	2	14.4 Å²	14.4	1%	0.01	8%	0.081	C	C	.	.	H	α-helix	trans	-67	-41.4	176.8	-179.1	-177.7	69.6	0	0	110.5	T223 C224 S228 L229 L230 T277 L280 T281 F284 L300	T223-M226 HydrophobicContact CG2-CE 4.36Å; T223-M226 WeakPolarHBondContact O-CB 3.18Å; T223-M226 PolarHBondContact O-N 3.4Å; T223-M226 VanDerWaalsContact O-N 3.16Å; C224-M226 PolarHBondContact O-N 2.85Å; M226-S228 PolarHBondContact O-N 3.41Å; M226-L229 PolarHBondContact O-N 3.47Å; M226-L230 HydrophobicContact CE-CD1 4.43Å; M226-L230 HydrophobicContact CG-CD1 3.78Å; M226-L230 HydrophobicContact CG-CG 4.19Å; M226-L230 WeakPolarHBondContact O-CB 3.3Å; M226-L230 WeakPolarHBondContact O-CG 3.29Å; M226-L230 PolarHBondContact O-N 3.2Å; M226-L230 HydrophobicContact SD-CD1 4.43Å; M226-T277 HydrophobicContact CE-CG2 4.09Å; M226-T277 WeakPolarHBondContact CE-OG1 3.36Å; M226-L280 HydrophobicContact SD-CD2 4Å; M226-T281 HydrophobicContact CE-CG2 3.69Å; M226-T281 HydrophobicContact SD-CG2 3.93Å; M226-F284 HydrophobicContact SD-CE2 4.3Å; M226-L300 HydrophobicContact CB-CD2 3.66Å; M226-L300 HydrophobicContact CG-CD2 3.82Å
227	N	92.6	Very high	88.9	Confident	4 Å²	4	15.1 Å²	15.1	2%	0.021	9%	0.085	C	C	.	.	H	α-helix	trans	-60.7	-46.2	176.9	-70	-14.7	0	0	0	111.5	L217 T223 C224 L229 L230 Q231 D490	L217-N227 HydrophobicContact CB-CB 4.02Å; L217-N227 WeakPolarHBondContact CB-OD1 3.44Å; L217-N227 HydrophobicContact CD1-CB 3.97Å; L217-N227 WeakPolarHBondContact CD1-O 3.41Å; T223-N227 PolarHBondContact O-N 3.19Å; C224-N227 PolarHBondContact O-N 2.85Å; N227-L229 PolarHBondContact O-N 2.85Å; N227-L230 PolarHBondContact O-N 3.12Å; N227-Q231 WeakPolarHBondContact O-CG 3.44Å; N227-Q231 PolarHBondContact O-N 3.12Å; N227-D490 PolarHBondContact ND2-OD1 2.97Å
228	S	93.7	Very high	89.2	Confident	3 Å²	3	16.4 Å²	16.4	2%	0.021	9%	0.091	C	C	.	.	H	α-helix	trans	-59.2	-44.8	177.1	-65.5	0	0	0	0	112.3	C224 Y225 M226 T232	C224-S228 WeakPolarHBondContact O-CB 3.41Å; C224-S228 PolarHBondContact O-N 3.28Å; C224-S228 PolarHBondContact O-OG 2.9Å; Y225-S228 PolarHBondContact O-N 2.81Å; M226-S228 PolarHBondContact O-N 3.41Å; S228-T232 PolarHBondContact O-N 3.4Å; S228-T232 PolarHBondContact O-OG1 2.68Å
229	L	94.4	Very high	89.7	Confident	2 Å²	2	11.2 Å²	11.2	1%	0.01	7%	0.069	C	C	.	.	H	α-helix	trans	-66.2	-43.4	176.1	178.5	63.7	0	0	0	112.4	Y225 M226 N227 Q231 T232 L233 V297 L300 C301 L304	Y225-L229 WeakPolarHBondContact O-CB 3.49Å; Y225-L229 PolarHBondContact O-N 3.34Å; M226-L229 PolarHBondContact O-N 3.47Å; N227-L229 PolarHBondContact O-N 2.85Å; L229-Q231 PolarHBondContact O-N 3.07Å; L229-T232 WeakPolarHBondContact O-CB 3.31Å; L229-T232 PolarHBondContact O-N 3.22Å; L229-T232 VanDerWaalsContact O-N 3.16Å; L229-L233 HydrophobicContact CD1-CD1 4.11Å; L229-L233 HydrophobicContact CD1-CG 4.07Å; L229-L233 HydrophobicContact CG-CD1 4.01Å; L229-L233 HydrophobicContact CG-CG 4.34Å; L229-L233 WeakPolarHBondContact O-CG 3.47Å; L229-L233 PolarHBondContact O-N 3.43Å; L229-V297 HydrophobicContact CB-CG2 3.83Å; L229-L300 HydrophobicContact CD2-CB 4.22Å; L229-L300 HydrophobicContact CD2-CD2 3.78Å; L229-L300 HydrophobicContact CD2-CG 3.82Å; L229-C301 HydrophobicContact CD1-CB 3.76Å; L229-C301 HydrophobicContact CD2-CB 3.92Å; L229-L304 HydrophobicContact CD2-CD2 4.5Å
230	L	96.2	Very high	90.4	Very high	1 Å²	1	9.4 Å²	9.4	1%	0.005	6%	0.058	C	C	.	.	H	α-helix	trans	-62.3	-41.8	-179.3	-76.3	169.2	0	0	0	112.1	L217 M226 N227 T232 L233 F234 L261 V264 T277 L280	L217-L230 HydrophobicContact CD1-CB 3.75Å; L217-L230 HydrophobicContact CD1-CD1 4.2Å; M226-L230 HydrophobicContact CE-CD1 4.43Å; M226-L230 HydrophobicContact CG-CD1 3.78Å; M226-L230 HydrophobicContact CG-CG 4.19Å; M226-L230 WeakPolarHBondContact O-CB 3.3Å; M226-L230 WeakPolarHBondContact O-CG 3.29Å; M226-L230 PolarHBondContact O-N 3.2Å; M226-L230 HydrophobicContact SD-CD1 4.43Å; N227-L230 PolarHBondContact O-N 3.12Å; L230-T232 VanDerWaalsContact C-N 3.34Å; L230-L233 PolarHBondContact O-N 3Å; L230-F234 WeakPolarHBondContact O-CB 3.38Å; L230-F234 PolarHBondContact O-N 3.38Å; L230-L261 HydrophobicContact CD2-CD1 3.58Å; L230-V264 HydrophobicContact CD1-CG1 4.37Å; L230-T277 HydrophobicContact CD1-CG2 3.72Å; L230-L280 HydrophobicContact CD1-CD2 3.71Å; L230-L280 HydrophobicContact CD2-CD2 3.79Å; L230-L280 HydrophobicContact CG-CD2 4.3Å
231	Q	95.3	Very high	91.4	Very high	4 Å²	4	11.8 Å²	11.8	2%	0.019	7%	0.065	C	C	.	.	H	α-helix	trans	-62	-44.3	173.8	-67.2	-69.9	5.9	0	0	110.8	V215 L217 N227 L229 L233 F234 F235 V468 L470 F488	V215-Q231 PolarHBondContact O-NE2 3.03Å; L217-Q231 HydrophobicContact CD1-CG 3.9Å; N227-Q231 WeakPolarHBondContact O-CG 3.44Å; N227-Q231 PolarHBondContact O-N 3.12Å; L229-Q231 PolarHBondContact O-N 3.07Å; Q231-L233 PolarHBondContact O-N 3.3Å; Q231-F234 PolarHBondContact O-N 2.88Å; Q231-F235 WeakPolarHBondContact O-CD2 3.3Å; Q231-F235 PolarHBondContact O-N 2.85Å; Q231-V468 HydrophobicContact CB-CG1 4.12Å; Q231-L470 HydrophobicContact CB-CD1 3.85Å; Q231-F488 HydrophobicContact CB-CD1 4.49Å; Q231-F488 HydrophobicContact CG-CB 4.31Å; Q231-F488 HydrophobicContact CG-CD1 3.94Å; Q231-F488 HydrophobicContact CG-CG 4.31Å
232	T	95.8	Very high	92.4	Very high	2 Å²	2	10.1 Å²	10.1	1%	0.012	5%	0.047	C	C	.	.	H	α-helix	trans	-58.7	-46.3	177.7	-56.1	0	0	0	0	112.2	S228 L229 L230 T236 A453 L455 V525	S228-T232 PolarHBondContact O-N 3.4Å; S228-T232 PolarHBondContact O-OG1 2.68Å; L229-T232 WeakPolarHBondContact O-CB 3.31Å; L229-T232 PolarHBondContact O-N 3.22Å; L229-T232 VanDerWaalsContact O-N 3.16Å; L230-T232 VanDerWaalsContact C-N 3.34Å; T232-T236 PolarHBondContact O-N 3.3Å; T232-T236 PolarHBondContact O-OG1 3.42Å; T232-A453 HydrophobicContact CG2-CB 4.03Å; T232-L455 HydrophobicContact CG2-CD1 4.45Å; T232-V525 HydrophobicContact CG2-CB 4.43Å; T232-V525 HydrophobicContact CG2-CG2 3.68Å
233	L	95.7	Very high	93.3	Very high	2 Å²	2	9.6 Å²	9.6	1%	0.01	4%	0.043	C	C	.	.	H	α-helix	trans	-71.2	-33.2	177.8	-63.8	177.1	0	0	0	112.4	L229 L230 Q231 T236 L239 F265 L304 L305	L229-L233 HydrophobicContact CD1-CD1 4.11Å; L229-L233 HydrophobicContact CD1-CG 4.07Å; L229-L233 HydrophobicContact CG-CD1 4.01Å; L229-L233 HydrophobicContact CG-CG 4.34Å; L229-L233 WeakPolarHBondContact O-CG 3.47Å; L229-L233 PolarHBondContact O-N 3.43Å; L230-L233 PolarHBondContact O-N 3Å; Q231-L233 PolarHBondContact O-N 3.3Å; L233-T236 WeakPolarHBondContact O-CB 3.37Å; L233-T236 PolarHBondContact O-N 3.34Å; L233-L239 HydrophobicContact CB-CD2 4.1Å; L233-L239 HydrophobicContact CD2-CD2 3.77Å; L233-L239 HydrophobicContact CG-CD2 4.45Å; L233-F265 HydrophobicContact CB-CZ 4.09Å; L233-L304 HydrophobicContact CD1-CD2 3.63Å; L233-L305 HydrophobicContact CD2-CD2 4.2Å
234	F	95.9	Very high	93.8	Very high	7 Å²	7	9.6 Å²	9.6	3%	0.031	4%	0.043	C	C	.	.	H	α-helix	trans	-64.2	-43.6	178.1	172.7	-102.6	0	0	0	112.3	L230 Q231 T236 R240 F265 L268 Q269	L230-F234 WeakPolarHBondContact O-CB 3.38Å; L230-F234 PolarHBondContact O-N 3.38Å; Q231-F234 PolarHBondContact O-N 2.88Å; F234-T236 PolarHBondContact O-N 3.22Å; F234-R240 VanDerWaalsContact CD2-CD 3.44Å; F234-R240 VanDerWaalsContact CE2-NH1 3.31Å; F234-R240 WeakPolarHBondContact O-CD 3.27Å; F234-R240 PolarHBondContact O-NE 3.18Å; F234-F265 HydrophobicContact CB-CD1 3.99Å; F234-F265 HydrophobicContact CB-CE1 3.8Å; F234-F265 HydrophobicContact CB-CZ 4.46Å; F234-F265 HydrophobicContact CD2-CB 3.99Å; F234-F265 AromaticContact CD2-CD1 3.73Å; F234-F265 HydrophobicContact CD2-CD1 3.73Å; F234-F265 HydrophobicContact CD2-CE1 4.38Å; F234-F265 AromaticContact CD2-CG 3.93Å; F234-F265 HydrophobicContact CD2-CG 3.93Å; F234-F265 HydrophobicContact CE2-CB 4.33Å; F234-F265 VanDerWaalsContact CE2-O 3.29Å; F234-F265 WeakPolarHBondContact CE2-O 3.48Å; F234-F265 HydrophobicContact CG-CD1 4.35Å; F234-L268 HydrophobicContact CB-CD1 3.97Å; F234-L268 HydrophobicContact CD1-CB 4.34Å; F234-L268 HydrophobicContact CD1-CD1 4.27Å; F234-L268 HydrophobicContact CD2-CB 3.84Å; F234-L268 HydrophobicContact CD2-CD1 3.89Å; F234-L268 HydrophobicContact CE1-CB 4.06Å; F234-L268 HydrophobicContact CE2-CB 3.53Å; F234-L268 HydrophobicContact CE2-CD1 4.45Å; F234-L268 HydrophobicContact CG-CB 4.23Å; F234-L268 HydrophobicContact CG-CD1 3.78Å; F234-L268 HydrophobicContact CZ-CB 3.64Å; F234-Q269 HydrophobicContact CE2-CB 4.28Å; F234-Q269 HydrophobicContact CZ-CB 4.15Å
235	F	94.8	Very high	94.2	Very high	7 Å²	7	12.6 Å²	12.6	3%	0.031	6%	0.057	C	C	.	.	H	α-helix	trans	-76.6	-5.6	177.3	-68.6	-62.7	0	0	0	114	Y214 Q231 N237 L470 P472 F488 L536	Y214-F235 AromaticContact CD1-CE1 3.56Å; Y214-F235 HydrophobicContact CD1-CE1 3.56Å; Y214-F235 AromaticContact CD1-CZ 3.57Å; Y214-F235 HydrophobicContact CD1-CZ 3.57Å; Y214-F235 AromaticContact CE1-CE1 3.54Å; Y214-F235 HydrophobicContact CE1-CE1 3.54Å; Y214-F235 AromaticContact CE1-CZ 4Å; Y214-F235 HydrophobicContact CE1-CZ 4Å; Y214-F235 HydrophobicContact CG-CE1 4.33Å; Y214-F235 AromaticContact CG-CZ 3.93Å; Y214-F235 HydrophobicContact CG-CZ 3.93Å; Q231-F235 WeakPolarHBondContact O-CD2 3.3Å; Q231-F235 PolarHBondContact O-N 2.85Å; F235-N237 VanDerWaalsContact C-N 3.27Å; F235-N237 PolarHBondContact O-N 3.18Å; F235-N237 PolarHBondContact O-OD1 2.8Å; F235-L470 HydrophobicContact CD2-CD1 3.87Å; F235-L470 HydrophobicContact CD2-CD2 4.32Å; F235-L470 HydrophobicContact CE2-CD1 4.19Å; F235-P472 HydrophobicContact CD1-CB 3.54Å; F235-P472 HydrophobicContact CD1-CG 4.06Å; F235-P472 HydrophobicContact CD2-CG 4.41Å; F235-P472 HydrophobicContact CE1-CB 3.7Å; F235-P472 HydrophobicContact CE1-CG 3.93Å; F235-P472 HydrophobicContact CE2-CG 4.32Å; F235-P472 HydrophobicContact CG-CB 4.05Å; F235-P472 HydrophobicContact CG-CG 4.29Å; F235-P472 HydrophobicContact CZ-CB 4.34Å; F235-P472 HydrophobicContact CZ-CG 4.07Å; F235-F488 HydrophobicContact CD2-CZ 4.45Å; F235-F488 AromaticContact CE2-CE1 3.62Å; F235-F488 HydrophobicContact CE2-CE1 3.62Å; F235-F488 HydrophobicContact CE2-CE2 4.07Å; F235-F488 AromaticContact CE2-CZ 3.35Å; F235-F488 HydrophobicContact CE2-CZ 3.35Å; F235-F488 AromaticContact CZ-CE1 3.87Å; F235-F488 HydrophobicContact CZ-CE1 3.87Å; F235-F488 AromaticContact CZ-CZ 3.58Å; F235-F488 HydrophobicContact CZ-CZ 3.58Å; F235-L536 VanDerWaalsContact O-CD2 3.28Å; F235-L536 WeakPolarHBondContact O-CD2 3.41Å
236	T	94.9	Very high	94.5	Very high	0 Å²	0	13 Å²	13	0%	0	6%	0.059	C	C	.	.			trans	-76.4	80.9	162.8	-55.7	0	0	0	0	109.4	T232 L233 F234 Q238 L239 R240 L324 F325 I402 V535	T232-T236 PolarHBondContact O-N 3.3Å; T232-T236 PolarHBondContact O-OG1 3.42Å; L233-T236 WeakPolarHBondContact O-CB 3.37Å; L233-T236 PolarHBondContact O-N 3.34Å; F234-T236 PolarHBondContact O-N 3.22Å; T236-Q238 VanDerWaalsContact C-N 3.31Å; T236-Q238 PolarHBondContact O-N 2.95Å; T236-L239 HydrophobicContact CG2-CB 3.56Å; T236-L239 WeakPolarHBondContact O-CA 3.23Å; T236-L239 WeakPolarHBondContact O-CB 3.49Å; T236-L239 PolarHBondContact O-N 3.09Å; T236-R240 PolarHBondContact O-N 3.36Å; T236-L324 HydrophobicContact CG2-CD1 4.45Å; T236-F325 HydrophobicContact CG2-CZ 4.46Å; T236-I402 HydrophobicContact CG2-CD1 3.22Å; T236-V535 HydrophobicContact CG2-CG1 4.19Å
237	N	93.9	Very high	94.5	Very high	15 Å²	15	16.2 Å²	16.2	8%	0.08	8%	0.08	C	C	.	.	H	α-helix	trans	-57.5	-39.2	-167.7	-65.1	-17.7	0	0	0	113.9	F235 L239 R240 R241 V535 L536 Q537 M539	F235-N237 VanDerWaalsContact C-N 3.27Å; F235-N237 PolarHBondContact O-N 3.18Å; F235-N237 PolarHBondContact O-OD1 2.8Å; N237-L239 VanDerWaalsContact C-N 3.34Å; N237-L239 PolarHBondContact O-N 3.03Å; N237-R240 PolarHBondContact O-N 3.12Å; N237-R240 PolarHBondContact OD1-NH2 3.05Å; N237-R241 WeakPolarHBondContact O-CB 3.46Å; N237-R241 PolarHBondContact O-N 3.06Å; N237-V535 WeakPolarHBondContact CB-O 3.43Å; N237-V535 PolarHBondContact N-O 2.86Å; N237-L536 PolarHBondContact ND2-O 3.37Å; N237-L536 VanDerWaalsContact ND2-O 3.15Å; N237-Q537 HydrophobicContact CB-CG 4.4Å; N237-Q537 WeakPolarHBondContact CB-O 3.49Å; N237-Q537 PolarHBondContact ND2-O 3.25Å; N237-M539 HydrophobicContact CB-CG 4.1Å
238	Q	94.1	Very high	94.4	Very high	27 Å²	27	16.3 Å²	16.3	13%	0.126	8%	0.081	C	C	.	.	H	α-helix	trans	-63.1	-37.9	175.7	-170.7	170.6	19.3	0	0	112.8	T236 A242 L324 E534 V535	T236-Q238 VanDerWaalsContact C-N 3.31Å; T236-Q238 PolarHBondContact O-N 2.95Å; Q238-A242 PolarHBondContact O-N 3.36Å; Q238-L324 HydrophobicContact CB-CD1 4.47Å; Q238-L324 HydrophobicContact CB-CD2 4.37Å; Q238-L324 HydrophobicContact CG-CD1 4.47Å; Q238-L324 HydrophobicContact CG-CD2 4.24Å; Q238-L324 VanDerWaalsContact OE1-CD2 3.25Å; Q238-E534 PolarHBondContact NE2-OE1 2.66Å; Q238-V535 PolarHBondContact N-O 2.89Å
239	L	94.8	Very high	94.1	Very high	4 Å²	4	21.5 Å²	21.5	2%	0.021	11%	0.105	C	C	.	.	H	α-helix	trans	-67.3	-48.7	173.5	173.5	63.1	0	0	0	110.8	L233 T236 N237 R241 A242 V243 L305 I321 L324 F325	L233-L239 HydrophobicContact CB-CD2 4.1Å; L233-L239 HydrophobicContact CD2-CD2 3.77Å; L233-L239 HydrophobicContact CG-CD2 4.45Å; T236-L239 HydrophobicContact CG2-CB 3.56Å; T236-L239 WeakPolarHBondContact O-CA 3.23Å; T236-L239 WeakPolarHBondContact O-CB 3.49Å; T236-L239 PolarHBondContact O-N 3.09Å; N237-L239 VanDerWaalsContact C-N 3.34Å; N237-L239 PolarHBondContact O-N 3.03Å; L239-R241 VanDerWaalsContact C-N 3.28Å; L239-R241 PolarHBondContact O-N 3.26Å; L239-A242 WeakPolarHBondContact O-CB 3.09Å; L239-A242 PolarHBondContact O-N 3.04Å; L239-V243 HydrophobicContact CD1-CG2 4.22Å; L239-V243 HydrophobicContact CG-CG2 4.42Å; L239-V243 WeakPolarHBondContact O-CG2 3.46Å; L239-V243 PolarHBondContact O-N 2.96Å; L239-L305 HydrophobicContact CD2-CD2 4.47Å; L239-I321 HydrophobicContact CD1-CD1 3.25Å; L239-L324 HydrophobicContact CB-CD1 3.89Å; L239-F325 HydrophobicContact CD2-CE2 4.2Å; L239-F325 HydrophobicContact CD2-CZ 4.14Å
240	R	95.1	Very high	93.8	Very high	19 Å²	19	25.2 Å²	25.2	7%	0.072	14%	0.144	C	C	.	.	H	α-helix	trans	-54.9	-43.7	178.7	176.4	171.7	57.6	154.9	-9.5	112	F234 T236 N237 A242 V243 Y244 F265 M539	F234-R240 VanDerWaalsContact CD2-CD 3.44Å; F234-R240 VanDerWaalsContact CE2-NH1 3.31Å; F234-R240 WeakPolarHBondContact O-CD 3.27Å; F234-R240 PolarHBondContact O-NE 3.18Å; T236-R240 PolarHBondContact O-N 3.36Å; N237-R240 PolarHBondContact O-N 3.12Å; N237-R240 PolarHBondContact OD1-NH2 3.05Å; R240-A242 PolarHBondContact O-N 3.36Å; R240-V243 PolarHBondContact O-N 2.91Å; R240-Y244 HydrophobicContact CG-CD2 4.15Å; R240-Y244 HydrophobicContact CG-CE2 3.57Å; R240-Y244 WeakPolarHBondContact O-CD2 3.43Å; R240-Y244 PolarHBondContact O-N 2.84Å; R240-F265 HydrophobicContact CB-CD2 4.24Å; R240-F265 HydrophobicContact CB-CE2 4.36Å; R240-F265 HydrophobicContact CG-CB 4.42Å; R240-F265 HydrophobicContact CG-CD2 3.9Å; R240-F265 HydrophobicContact CG-CG 4.39Å; R240-M539 HydrophobicContact CG-CE 4.42Å
241	R	93.9	Very high	93.4	Very high	92 Å²	92	27.4 Å²	27.4	35%	0.347	16%	0.156	S	C	.	.	H	α-helix	trans	-58.8	-45.6	174.9	-167.4	174.7	-179.5	-173.4	0.3	112.2	N237 L239 V243 Y244 M245 M539 D543	N237-R241 WeakPolarHBondContact O-CB 3.46Å; N237-R241 PolarHBondContact O-N 3.06Å; L239-R241 VanDerWaalsContact C-N 3.28Å; L239-R241 PolarHBondContact O-N 3.26Å; R241-V243 VanDerWaalsContact C-N 3.34Å; R241-V243 PolarHBondContact O-N 3.47Å; R241-Y244 PolarHBondContact O-N 2.86Å; R241-M245 WeakPolarHBondContact O-CG 3.32Å; R241-M245 PolarHBondContact O-N 2.95Å; R241-M539 HydrophobicContact CB-CE 4.01Å; R241-M539 HydrophobicContact CB-SD 3.66Å; R241-M539 HydrophobicContact CG-CE 4.27Å; R241-M539 HydrophobicContact CG-SD 4Å; R241-D543 IonicContact CZ-OD1 2.77Å; R241-D543 IonicContact NE-OD1 2.67Å; R241-D543 PolarHBondContact NE-OD1 3.05Å; R241-D543 IonicContact NH2-OD1 3.77Å; R241-D543 PolarHBondContact NH2-OD1 3.28Å
242	A	94.6	Very high	93.1	Very high	6 Å²	6	31.2 Å²	31.2	5%	0.05	18%	0.176	C	C	.	.	H	α-helix	trans	-64.9	-38.8	178	0	0	0	0	0	112.2	Q238 L239 R240 Y244 M245 M246 M312 V317 T320	Q238-A242 PolarHBondContact O-N 3.36Å; L239-A242 WeakPolarHBondContact O-CB 3.09Å; L239-A242 PolarHBondContact O-N 3.04Å; R240-A242 PolarHBondContact O-N 3.36Å; A242-Y244 PolarHBondContact O-N 2.93Å; A242-M245 PolarHBondContact O-N 3.08Å; A242-M246 PolarHBondContact O-N 2.86Å; A242-M312 HydrophobicContact CB-CE 4.01Å; A242-V317 HydrophobicContact CB-CB 4.13Å; A242-V317 HydrophobicContact CB-CG1 4.12Å; A242-T320 HydrophobicContact CB-CG2 3.67Å
243	V	95.3	Very high	92.7	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-61	-42	174.9	169.8	0	0	0	0	111.4	L239 R240 R241 M245 M246 L261 Q262 F265 V308 M312	L239-V243 HydrophobicContact CD1-CG2 4.22Å; L239-V243 HydrophobicContact CG-CG2 4.42Å; L239-V243 WeakPolarHBondContact O-CG2 3.46Å; L239-V243 PolarHBondContact O-N 2.96Å; R240-V243 PolarHBondContact O-N 2.91Å; R241-V243 VanDerWaalsContact C-N 3.34Å; R241-V243 PolarHBondContact O-N 3.47Å; V243-M245 VanDerWaalsContact C-N 3.27Å; V243-M245 PolarHBondContact O-N 3.48Å; V243-M246 WeakPolarHBondContact O-CB 3.37Å; V243-M246 PolarHBondContact O-N 3.19Å; V243-L261 HydrophobicContact CG1-CB 4.43Å; V243-L261 HydrophobicContact CG1-CD2 3.91Å; V243-L261 HydrophobicContact CG1-CG 4.23Å; V243-L261 HydrophobicContact CG2-CD2 3.93Å; V243-Q262 HydrophobicContact CG1-CG 3.81Å; V243-Q262 VanDerWaalsContact O-CG 3.31Å; V243-Q262 WeakPolarHBondContact O-CG 3.39Å; V243-Q262 PolarHBondContact O-NE2 3.08Å; V243-F265 HydrophobicContact CB-CD2 4.16Å; V243-F265 HydrophobicContact CB-CE2 4.13Å; V243-F265 HydrophobicContact CG1-CD2 3.86Å; V243-F265 HydrophobicContact CG1-CE2 4.06Å; V243-F265 HydrophobicContact CG2-CE2 4.08Å; V243-V308 HydrophobicContact CG2-CG1 4.47Å; V243-M312 HydrophobicContact CG2-CE 4.08Å
244	Y	95.3	Very high	92	Very high	1 Å²	1	34.4 Å²	34.4	0%	0.004	20%	0.199	C	C	.	.	H	α-helix	trans	-63.8	-30.7	175.9	-69.1	-42.3	0	0	0	113.8	R240 R241 A242 M246 F265 Y266 Q269 M539 I544 P545 L548	R240-Y244 HydrophobicContact CG-CD2 4.15Å; R240-Y244 HydrophobicContact CG-CE2 3.57Å; R240-Y244 WeakPolarHBondContact O-CD2 3.43Å; R240-Y244 PolarHBondContact O-N 2.84Å; R241-Y244 PolarHBondContact O-N 2.86Å; A242-Y244 PolarHBondContact O-N 2.93Å; Y244-M246 VanDerWaalsContact C-N 3.29Å; Y244-M246 PolarHBondContact O-N 3.3Å; Y244-F265 HydrophobicContact CE1-CB 3.82Å; Y244-F265 PolarHBondContact OH-O 3.32Å; Y244-Y266 PolarHBondContact OH-N 2.99Å; Y244-Q269 PolarHBondContact OH-OE1 3.23Å; Y244-M539 HydrophobicContact CD2-CE 3.55Å; Y244-M539 HydrophobicContact CE2-CE 3.62Å; Y244-I544 HydrophobicContact CD1-CG2 4.47Å; Y244-I544 HydrophobicContact CD2-CD1 4.5Å; Y244-I544 HydrophobicContact CD2-CG1 3.89Å; Y244-I544 HydrophobicContact CE2-CD1 4.07Å; Y244-I544 HydrophobicContact CE2-CG1 3.94Å; Y244-I544 HydrophobicContact CG-CG1 4.29Å; Y244-P545 WeakPolarHBondContact O-CD 3.46Å; Y244-P545 WeakPolarHBondContact O-CG 3.3Å; Y244-L548 HydrophobicContact CD1-CD2 3.96Å
245	M	93.7	Very high	91.7	Very high	67 Å²	67	41.4 Å²	41.4	33%	0.33	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.4	2.5	-179.6	-64.5	-64.9	-179.9	0	0	113.9	R241 A242 V243 V317 D543 P545	R241-M245 WeakPolarHBondContact O-CG 3.32Å; R241-M245 PolarHBondContact O-N 2.95Å; A242-M245 PolarHBondContact O-N 3.08Å; V243-M245 VanDerWaalsContact C-N 3.27Å; V243-M245 PolarHBondContact O-N 3.48Å; M245-V317 HydrophobicContact CB-CG1 3.78Å; M245-D543 VanDerWaalsContact CE-O 3.26Å; M245-D543 WeakPolarHBondContact CE-O 3.35Å; M245-P545 HydrophobicContact SD-CG 3.82Å
246	M	92.9	Very high	91.5	Very high	8 Å²	8	41.6 Å²	41.6	4%	0.039	23%	0.231	C	C	.	.	S	Bend	trans	-71.5	133.6	175.5	-65	-179.8	69.2	0	0	111.1	A242 V243 Y244 T248 P258 Q262 V308 K311 M312 V317	A242-M246 PolarHBondContact O-N 2.86Å; V243-M246 WeakPolarHBondContact O-CB 3.37Å; V243-M246 PolarHBondContact O-N 3.19Å; Y244-M246 VanDerWaalsContact C-N 3.29Å; Y244-M246 PolarHBondContact O-N 3.3Å; M246-T248 HydrophobicContact CB-CG2 4.43Å; M246-T248 PolarHBondContact O-N 3.5Å; M246-P258 HydrophobicContact CE-CB 3.63Å; M246-P258 HydrophobicContact CE-CG 3.74Å; M246-P258 HydrophobicContact SD-CB 4.08Å; M246-Q262 PolarHBondContact O-NE2 2.99Å; M246-V308 HydrophobicContact SD-CG1 4.09Å; M246-K311 HydrophobicContact CE-CB 3.51Å; M246-M312 HydrophobicContact CE-CG 3.88Å; M246-M312 HydrophobicContact CG-CE 4.08Å; M246-M312 HydrophobicContact CG-CG 4.14Å; M246-M312 HydrophobicContact SD-CE 3.66Å; M246-M312 HydrophobicContact SD-CG 3.94Å; M246-V317 HydrophobicContact CG-CG2 4.15Å
247	P	91.6	Very high	91.4	Very high	69 Å²	69	42 Å²	42	45%	0.448	23%	0.234	S	C	.	.			trans	-73.3	109.8	177.9	29.9	-32.8	0	0	0	110	T315	P247-T315 HydrophobicContact CG-CG2 3.73Å
248	T	91.7	Very high	91.4	Very high	7 Å²	7	41.5 Å²	41.5	4%	0.043	23%	0.231	C	C	.	.			trans	-125.4	9.6	-177.4	57.7	0	0	0	0	112.8	M246 G250 D251 P258 L259 Q262 R551	M246-T248 HydrophobicContact CB-CG2 4.43Å; M246-T248 PolarHBondContact O-N 3.5Å; T248-G250 VanDerWaalsContact C-N 3.3Å; T248-G250 PolarHBondContact O-N 3.18Å; T248-D251 WeakPolarHBondContact O-CB 3.45Å; T248-D251 PolarHBondContact O-N 3.49Å; T248-P258 HydrophobicContact CG2-CB 4Å; T248-L259 HydrophobicContact CG2-CB 4.25Å; T248-Q262 VanDerWaalsContact CG2-OE1 3.3Å; T248-Q262 PolarHBondContact OG1-OE1 3.29Å; T248-R551 PolarHBondContact O-NH1 3.35Å
249	E	87.1	Confident	91.4	Very high	111 Å²	111	40.2 Å²	40.2	52%	0.519	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-38.8	-172.5	-57.6	78.9	-170.7	0	0	112.7	Q547 R551	E249-Q547 PolarHBondContact OE1-OE1 3.28Å; E249-R551 PolarHBondContact O-NH1 3.26Å; E249-R551 VanDerWaalsContact O-NH1 3.15Å
250	G	86.8	Confident	91.3	Very high	81 Å²	81	40 Å²	40	84%	0.835	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.8	-2	179	0	0	0	0	0	115.4	T248	T248-G250 VanDerWaalsContact C-N 3.3Å; T248-G250 PolarHBondContact O-N 3.18Å
251	D	89.6	Confident	91.4	Very high	47 Å²	47	39.4 Å²	39.4	25%	0.251	22%	0.222	S	C	.	.	S	Bend	trans	-77.5	146.3	-173.4	-86.3	17.2	0	0	0	112.7	T248 S253 S256 R551	T248-D251 WeakPolarHBondContact O-CB 3.45Å; T248-D251 PolarHBondContact O-N 3.49Å; D251-S253 PolarHBondContact O-N 2.9Å; D251-S256 VanDerWaalsContact OD2-CB 3.32Å; D251-S256 WeakPolarHBondContact OD2-CB 3.19Å; D251-S256 PolarHBondContact OD2-OG 2.8Å; D251-R551 PolarHBondContact O-NH2 3.44Å
252	D	88.8	Confident	91.4	Very high	83 Å²	83	35 Å²	35	44%	0.444	21%	0.206	S	C	.	.			trans	-66.8	126.5	173.1	-176.5	-63.4	0	0	0	111	S254 K255 S256	D252-S254 PolarHBondContact O-N 3.25Å; D252-S254 VanDerWaalsContact O-N 3.12Å; D252-S254 WeakPolarHBondContact OD1-CA 3.41Å; D252-S254 WeakPolarHBondContact OD1-CB 3.16Å; D252-S254 PolarHBondContact OD1-N 2.8Å; D252-S254 PolarHBondContact OD1-OG 2.8Å; D252-K255 HydrophobicContact CB-CB 4.2Å; D252-K255 PolarHBondContact O-N 2.78Å; D252-K255 PolarHBondContact OD1-N 3.01Å; D252-K255 VanDerWaalsContact OD1-N 3.12Å; D252-S256 VanDerWaalsContact O-CB 3.25Å; D252-S256 WeakPolarHBondContact O-CB 3.07Å; D252-S256 PolarHBondContact O-N 3.38Å
253	S	85.5	Confident	91.4	Very high	37 Å²	37	36 Å²	36	26%	0.259	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-26.5	-177	-175.6	0	0	0	0	114.3	D251 R263 E555	D251-S253 PolarHBondContact O-N 2.9Å; S253-R263 PolarHBondContact O-NH2 3.32Å; S253-R263 PolarHBondContact OG-NH2 2.99Å; S253-R263 VanDerWaalsContact OG-NH2 3.07Å; S253-E555 WeakPolarHBondContact CB-OE1 3.3Å; S253-E555 PolarHBondContact OG-OE1 3.43Å
254	S	82.5	Confident	91.5	Very high	35 Å²	35	36.2 Å²	36.2	25%	0.245	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.4	-18.8	-175	71.1	0	0	0	0	114.8	D252 S283	D252-S254 PolarHBondContact O-N 3.25Å; D252-S254 VanDerWaalsContact O-N 3.12Å; D252-S254 WeakPolarHBondContact OD1-CA 3.41Å; D252-S254 WeakPolarHBondContact OD1-CB 3.16Å; D252-S254 PolarHBondContact OD1-N 2.8Å; D252-S254 PolarHBondContact OD1-OG 2.8Å; S254-S283 WeakPolarHBondContact O-CA 3.42Å
255	K	88.4	Confident	91.5	Very high	154 Å²	154	36.1 Å²	36.1	67%	0.67	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	-114.4	-14.7	-176.3	-61	-179.1	-178.7	178	0	114.1	D252 V257	D252-K255 HydrophobicContact CB-CB 4.2Å; D252-K255 PolarHBondContact O-N 2.78Å; D252-K255 PolarHBondContact OD1-N 3.01Å; D252-K255 VanDerWaalsContact OD1-N 3.12Å; K255-V257 PolarHBondContact O-N 3.48Å
256	S	91.9	Very high	91.6	Very high	10 Å²	10	33.7 Å²	33.7	7%	0.07	20%	0.197	C	C	.	.			trans	-83.8	113.3	-179.2	175.6	0	0	0	0	112.2	D251 D252 P258 L259 A260	D251-S256 VanDerWaalsContact OD2-CB 3.32Å; D251-S256 WeakPolarHBondContact OD2-CB 3.19Å; D251-S256 PolarHBondContact OD2-OG 2.8Å; D252-S256 VanDerWaalsContact O-CB 3.25Å; D252-S256 WeakPolarHBondContact O-CB 3.07Å; D252-S256 PolarHBondContact O-N 3.38Å; S256-P258 WeakPolarHBondContact OG-CD 3.33Å; S256-L259 WeakPolarHBondContact OG-CB 3.44Å; S256-L259 PolarHBondContact OG-N 2.86Å; S256-A260 VanDerWaalsContact O-CB 3.31Å; S256-A260 WeakPolarHBondContact O-CB 3.39Å; S256-A260 PolarHBondContact O-N 2.76Å
257	V	92.3	Very high	91.6	Very high	10 Å²	10	34.7 Å²	34.7	6%	0.061	20%	0.201	C	C	.	.	H	α-helix	trans	-63	-49.1	173.5	171.8	0	0	0	0	111.7	K255 L259 A260 L261 F284 L304	K255-V257 PolarHBondContact O-N 3.48Å; V257-L259 PolarHBondContact O-N 2.8Å; V257-A260 PolarHBondContact O-N 2.86Å; V257-L261 PolarHBondContact O-N 2.87Å; V257-F284 HydrophobicContact CB-CE1 4.25Å; V257-F284 HydrophobicContact CG1-CD1 4.33Å; V257-F284 HydrophobicContact CG1-CE1 3.56Å; V257-F284 HydrophobicContact CG1-CZ 4.37Å; V257-F284 HydrophobicContact CG2-CD1 3.54Å; V257-F284 HydrophobicContact CG2-CE1 3.66Å; V257-L304 HydrophobicContact CG1-CD1 3.9Å
258	P	92.8	Very high	91.7	Very high	3 Å²	3	31.9 Å²	31.9	2%	0.019	18%	0.182	C	C	.	.	H	α-helix	trans	-57.8	-45.1	177.6	-27.1	35.7	0	0	0	113.3	M246 T248 S256 A260 L261 Q262 K311	M246-P258 HydrophobicContact CE-CB 3.63Å; M246-P258 HydrophobicContact CE-CG 3.74Å; M246-P258 HydrophobicContact SD-CB 4.08Å; T248-P258 HydrophobicContact CG2-CB 4Å; S256-P258 WeakPolarHBondContact OG-CD 3.33Å; P258-A260 VanDerWaalsContact C-N 3.33Å; P258-A260 PolarHBondContact O-N 3.41Å; P258-L261 PolarHBondContact O-N 2.86Å; P258-Q262 WeakPolarHBondContact O-CB 3.33Å; P258-Q262 WeakPolarHBondContact O-CG 3.37Å; P258-Q262 PolarHBondContact O-N 2.91Å; P258-K311 HydrophobicContact CG-CB 3.84Å; P258-K311 HydrophobicContact CG-CD 4.29Å; P258-K311 HydrophobicContact CG-CG 3.75Å
259	L	94.2	Very high	91.7	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-65.7	-37.7	178	178.8	62.9	0	0	0	111.8	T248 S256 V257 Q262 R263 L548	T248-L259 HydrophobicContact CG2-CB 4.25Å; S256-L259 WeakPolarHBondContact OG-CB 3.44Å; S256-L259 PolarHBondContact OG-N 2.86Å; V257-L259 PolarHBondContact O-N 2.8Å; L259-Q262 PolarHBondContact O-N 2.8Å; L259-R263 WeakPolarHBondContact O-CB 3.32Å; L259-R263 PolarHBondContact O-N 2.76Å; L259-L548 HydrophobicContact CD1-CD1 4.1Å
260	A	94.3	Very high	91.9	Very high	1 Å²	1	30.7 Å²	30.7	1%	0.008	18%	0.176	C	C	.	.	H	α-helix	trans	-65.5	-39	174.9	0	0	0	0	0	112.4	S256 V257 P258 R263 V264 L280	S256-A260 VanDerWaalsContact O-CB 3.31Å; S256-A260 WeakPolarHBondContact O-CB 3.39Å; S256-A260 PolarHBondContact O-N 2.76Å; V257-A260 PolarHBondContact O-N 2.86Å; P258-A260 VanDerWaalsContact C-N 3.33Å; P258-A260 PolarHBondContact O-N 3.41Å; A260-R263 WeakPolarHBondContact O-CB 3.46Å; A260-R263 PolarHBondContact O-N 2.84Å; A260-V264 WeakPolarHBondContact O-CG2 3.35Å; A260-V264 PolarHBondContact O-N 3.47Å; A260-L280 HydrophobicContact CB-CB 4.15Å; A260-L280 HydrophobicContact CB-CD1 3.72Å
261	L	95.6	Very high	91.9	Very high	5 Å²	5	27.9 Å²	27.9	3%	0.026	14%	0.143	C	C	.	.	H	α-helix	trans	-66.5	-45	174.8	-164.2	74.4	0	0	0	111.5	L230 V243 V257 P258 R263 V264 F265 L304 V308	L230-L261 HydrophobicContact CD2-CD1 3.58Å; V243-L261 HydrophobicContact CG1-CB 4.43Å; V243-L261 HydrophobicContact CG1-CD2 3.91Å; V243-L261 HydrophobicContact CG1-CG 4.23Å; V243-L261 HydrophobicContact CG2-CD2 3.93Å; V257-L261 PolarHBondContact O-N 2.87Å; P258-L261 PolarHBondContact O-N 2.86Å; L261-R263 VanDerWaalsContact C-N 3.28Å; L261-R263 PolarHBondContact O-N 3.12Å; L261-V264 PolarHBondContact O-N 2.93Å; L261-F265 HydrophobicContact CD1-CE1 4.08Å; L261-F265 HydrophobicContact CD1-CZ 4.03Å; L261-F265 HydrophobicContact CD2-CE2 4.07Å; L261-F265 HydrophobicContact CD2-CZ 4.14Å; L261-F265 HydrophobicContact CG-CD2 4.42Å; L261-F265 HydrophobicContact CG-CE1 4.25Å; L261-F265 HydrophobicContact CG-CE2 4.03Å; L261-F265 HydrophobicContact CG-CZ 3.94Å; L261-F265 WeakPolarHBondContact O-CG 3.37Å; L261-F265 PolarHBondContact O-N 3.24Å; L261-L304 HydrophobicContact CD1-CD2 4.28Å; L261-V308 HydrophobicContact CD2-CG2 4.07Å
262	Q	95.3	Very high	91.4	Very high	1 Å²	1	30.5 Å²	30.5	1%	0.005	16%	0.158	C	C	.	.	H	α-helix	trans	-54.4	-44.7	172.7	-77.9	174.9	-20.1	0	0	111.5	V243 M246 T248 P258 L259 F265 Y266 L548	V243-Q262 HydrophobicContact CG1-CG 3.81Å; V243-Q262 VanDerWaalsContact O-CG 3.31Å; V243-Q262 WeakPolarHBondContact O-CG 3.39Å; V243-Q262 PolarHBondContact O-NE2 3.08Å; M246-Q262 PolarHBondContact O-NE2 2.99Å; T248-Q262 VanDerWaalsContact CG2-OE1 3.3Å; T248-Q262 PolarHBondContact OG1-OE1 3.29Å; P258-Q262 WeakPolarHBondContact O-CB 3.33Å; P258-Q262 WeakPolarHBondContact O-CG 3.37Å; P258-Q262 PolarHBondContact O-N 2.91Å; L259-Q262 PolarHBondContact O-N 2.8Å; Q262-F265 PolarHBondContact O-N 2.69Å; Q262-Y266 VanDerWaalsContact O-CB 3.22Å; Q262-Y266 WeakPolarHBondContact O-CB 3.19Å; Q262-Y266 PolarHBondContact O-N 3.46Å; Q262-L548 HydrophobicContact CB-CD1 4.19Å; Q262-L548 HydrophobicContact CB-CD2 4.09Å; Q262-L548 HydrophobicContact CG-CD2 4.13Å
263	R	94.7	Very high	90.9	Very high	25 Å²	25	33.8 Å²	33.8	9%	0.094	17%	0.168	C	C	.	.	H	α-helix	trans	-60.8	-49.6	176.2	-174.2	-177	-56.5	108.1	-4.5	111.5	S253 L259 A260 L261 F265 Y266 E267 L552 E555	S253-R263 PolarHBondContact O-NH2 3.32Å; S253-R263 PolarHBondContact OG-NH2 2.99Å; S253-R263 VanDerWaalsContact OG-NH2 3.07Å; L259-R263 WeakPolarHBondContact O-CB 3.32Å; L259-R263 PolarHBondContact O-N 2.76Å; A260-R263 WeakPolarHBondContact O-CB 3.46Å; A260-R263 PolarHBondContact O-N 2.84Å; L261-R263 VanDerWaalsContact C-N 3.28Å; L261-R263 PolarHBondContact O-N 3.12Å; R263-F265 PolarHBondContact O-N 3.2Å; R263-Y266 PolarHBondContact O-N 3.3Å; R263-E267 WeakPolarHBondContact O-CG 3.16Å; R263-E267 PolarHBondContact O-N 3.22Å; R263-L552 HydrophobicContact CB-CD2 3.91Å; R263-L552 HydrophobicContact CG-CD2 3.92Å; R263-E555 IonicContact CZ-OE2 3.66Å; R263-E555 IonicContact NE-OE2 3.7Å; R263-E555 PolarHBondContact NE-OE2 3.15Å; R263-E555 VanDerWaalsContact NH2-CD 3.34Å; R263-E555 IonicContact NH2-OE1 2.94Å; R263-E555 PolarHBondContact NH2-OE1 3.19Å; R263-E555 IonicContact NH2-OE2 3.2Å; R263-E555 PolarHBondContact NH2-OE2 3.05Å
264	V	96	Very high	90.7	Very high	5 Å²	5	33.9 Å²	33.9	3%	0.03	17%	0.168	C	C	.	.	H	α-helix	trans	-59.7	-47	178.5	171.3	0	0	0	0	110.8	L217 L230 A260 L261 E267 L268 V275 T277 L280	L217-V264 HydrophobicContact CD2-CG1 3.98Å; L230-V264 HydrophobicContact CD1-CG1 4.37Å; A260-V264 WeakPolarHBondContact O-CG2 3.35Å; A260-V264 PolarHBondContact O-N 3.47Å; L261-V264 PolarHBondContact O-N 2.93Å; V264-E267 PolarHBondContact O-N 3.19Å; V264-L268 HydrophobicContact CG1-CD1 3.91Å; V264-L268 HydrophobicContact CG1-CG 4.32Å; V264-L268 WeakPolarHBondContact O-CB 3.31Å; V264-L268 WeakPolarHBondContact O-CG 3.43Å; V264-L268 PolarHBondContact O-N 3.44Å; V264-V275 HydrophobicContact CG1-CG1 4.4Å; V264-T277 HydrophobicContact CG2-CG2 4.39Å; V264-L280 HydrophobicContact CG2-CB 4.48Å; V264-L280 HydrophobicContact CG2-CD2 4.47Å
265	F	96.6	Very high	91	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-65.1	-41.9	179	-70.9	-4	0	0	0	112.1	L233 F234 R240 V243 Y244 L261 Q262 R263 E267 L268 Q269	L233-F265 HydrophobicContact CB-CZ 4.09Å; F234-F265 HydrophobicContact CB-CD1 3.99Å; F234-F265 HydrophobicContact CB-CE1 3.8Å; F234-F265 HydrophobicContact CB-CZ 4.46Å; F234-F265 HydrophobicContact CD2-CB 3.99Å; F234-F265 AromaticContact CD2-CD1 3.73Å; F234-F265 HydrophobicContact CD2-CD1 3.73Å; F234-F265 HydrophobicContact CD2-CE1 4.38Å; F234-F265 AromaticContact CD2-CG 3.93Å; F234-F265 HydrophobicContact CD2-CG 3.93Å; F234-F265 HydrophobicContact CE2-CB 4.33Å; F234-F265 VanDerWaalsContact CE2-O 3.29Å; F234-F265 WeakPolarHBondContact CE2-O 3.48Å; F234-F265 HydrophobicContact CG-CD1 4.35Å; R240-F265 HydrophobicContact CB-CD2 4.24Å; R240-F265 HydrophobicContact CB-CE2 4.36Å; R240-F265 HydrophobicContact CG-CB 4.42Å; R240-F265 HydrophobicContact CG-CD2 3.9Å; R240-F265 HydrophobicContact CG-CG 4.39Å; V243-F265 HydrophobicContact CB-CD2 4.16Å; V243-F265 HydrophobicContact CB-CE2 4.13Å; V243-F265 HydrophobicContact CG1-CD2 3.86Å; V243-F265 HydrophobicContact CG1-CE2 4.06Å; V243-F265 HydrophobicContact CG2-CE2 4.08Å; Y244-F265 HydrophobicContact CE1-CB 3.82Å; Y244-F265 PolarHBondContact OH-O 3.32Å; L261-F265 HydrophobicContact CD1-CE1 4.08Å; L261-F265 HydrophobicContact CD1-CZ 4.03Å; L261-F265 HydrophobicContact CD2-CE2 4.07Å; L261-F265 HydrophobicContact CD2-CZ 4.14Å; L261-F265 HydrophobicContact CG-CD2 4.42Å; L261-F265 HydrophobicContact CG-CE1 4.25Å; L261-F265 HydrophobicContact CG-CE2 4.03Å; L261-F265 HydrophobicContact CG-CZ 3.94Å; L261-F265 WeakPolarHBondContact O-CG 3.37Å; L261-F265 PolarHBondContact O-N 3.24Å; Q262-F265 PolarHBondContact O-N 2.69Å; R263-F265 PolarHBondContact O-N 3.2Å; F265-E267 PolarHBondContact O-N 3.11Å; F265-L268 HydrophobicContact CD1-CD1 4.45Å; F265-L268 PolarHBondContact O-N 2.85Å; F265-Q269 PolarHBondContact O-N 3.42Å; F265-Q269 VanDerWaalsContact O-N 3.11Å
266	Y	95.4	Very high	90.9	Very high	16 Å²	16	27.3 Å²	27.3	6%	0.063	15%	0.148	C	C	.	.	H	α-helix	trans	-59.8	-46.4	176	179.1	-94.9	0	0	0	111.3	Y244 Q262 R263 Q269 H270 I544 V549 L552	Y244-Y266 PolarHBondContact OH-N 2.99Å; Q262-Y266 VanDerWaalsContact O-CB 3.22Å; Q262-Y266 WeakPolarHBondContact O-CB 3.19Å; Q262-Y266 PolarHBondContact O-N 3.46Å; R263-Y266 PolarHBondContact O-N 3.3Å; Y266-Q269 PolarHBondContact O-N 3.34Å; Y266-H270 AromaticContact CD2-CE1 3.65Å; Y266-H270 AromaticContact CD2-ND1 3.66Å; Y266-H270 AromaticContact CE2-CE1 3.47Å; Y266-H270 VanDerWaalsContact CE2-CE1 3.47Å; Y266-H270 WeakPolarHBondContact CE2-CE1 3.21Å; Y266-H270 AromaticContact CE2-ND1 3.6Å; Y266-H270 AromaticContact CZ-ND1 3.93Å; Y266-H270 PolarHBondContact O-N 3.23Å; Y266-H270 VanDerWaalsContact O-N 3.1Å; Y266-H270 PolarHBondContact O-ND1 2.86Å; Y266-I544 HydrophobicContact CD2-CD1 4.07Å; Y266-I544 HydrophobicContact CD2-CG2 4.36Å; Y266-I544 HydrophobicContact CE2-CD1 4.39Å; Y266-V549 HydrophobicContact CE2-CG1 4.45Å; Y266-V549 HydrophobicContact CE2-CG2 4.05Å; Y266-L552 HydrophobicContact CD1-CB 4.33Å; Y266-L552 HydrophobicContact CD1-CD1 3.66Å; Y266-L552 HydrophobicContact CD2-CD1 4.18Å; Y266-L552 HydrophobicContact CE1-CB 4.41Å; Y266-L552 HydrophobicContact CE1-CD1 4.43Å; Y266-L552 HydrophobicContact CG-CD1 3.51Å
267	E	93.1	Very high	90.8	Very high	29 Å²	29	26.9 Å²	26.9	14%	0.136	15%	0.145	C	C	.	.	H	α-helix	trans	-65.2	-40.4	176.2	-67.8	-50.2	123.4	0	0	112.7	R263 V264 F265 Q269 H270 S271 V275 K556	R263-E267 WeakPolarHBondContact O-CG 3.16Å; R263-E267 PolarHBondContact O-N 3.22Å; V264-E267 PolarHBondContact O-N 3.19Å; F265-E267 PolarHBondContact O-N 3.11Å; E267-Q269 PolarHBondContact O-N 2.73Å; E267-H270 PolarHBondContact O-N 2.94Å; E267-S271 WeakPolarHBondContact O-CA 3.36Å; E267-S271 WeakPolarHBondContact O-CB 3.29Å; E267-S271 PolarHBondContact O-N 3.41Å; E267-V275 HydrophobicContact CB-CB 4.19Å; E267-V275 HydrophobicContact CB-CG1 3.51Å; E267-V275 HydrophobicContact CB-CG2 3.61Å; E267-V275 HydrophobicContact CG-CG1 4.23Å; E267-K556 WeakPolarHBondContact OE1-CE 3.03Å; E267-K556 IonicContact OE1-NZ 3.26Å; E267-K556 PolarHBondContact OE1-NZ 2.94Å; E267-K556 WeakPolarHBondContact OE2-CE 3.44Å; E267-K556 IonicContact OE2-NZ 3.69Å; E267-K556 PolarHBondContact OE2-NZ 2.87Å
268	L	93.3	Very high	90.5	Very high	10 Å²	10	33.7 Å²	33.7	5%	0.052	17%	0.174	C	C	.	.	H	α-helix	trans	-62.2	-29.5	177.4	-79	174.7	0	0	0	112.3	V215 L217 F234 V264 F265 V275	V215-L268 HydrophobicContact CG2-CD2 4.01Å; V215-L268 WeakPolarHBondContact CG2-O 3.35Å; L217-L268 HydrophobicContact CD2-CD1 4.32Å; L217-L268 HydrophobicContact CD2-CD2 3.94Å; L217-L268 HydrophobicContact CD2-CG 4.27Å; L217-L268 HydrophobicContact CG-CD2 4.09Å; F234-L268 HydrophobicContact CB-CD1 3.97Å; F234-L268 HydrophobicContact CD1-CB 4.34Å; F234-L268 HydrophobicContact CD1-CD1 4.27Å; F234-L268 HydrophobicContact CD2-CB 3.84Å; F234-L268 HydrophobicContact CD2-CD1 3.89Å; F234-L268 HydrophobicContact CE1-CB 4.06Å; F234-L268 HydrophobicContact CE2-CB 3.53Å; F234-L268 HydrophobicContact CE2-CD1 4.45Å; F234-L268 HydrophobicContact CG-CB 4.23Å; F234-L268 HydrophobicContact CG-CD1 3.78Å; F234-L268 HydrophobicContact CZ-CB 3.64Å; V264-L268 HydrophobicContact CG1-CD1 3.91Å; V264-L268 HydrophobicContact CG1-CG 4.32Å; V264-L268 WeakPolarHBondContact O-CB 3.31Å; V264-L268 WeakPolarHBondContact O-CG 3.43Å; V264-L268 PolarHBondContact O-N 3.44Å; F265-L268 HydrophobicContact CD1-CD1 4.45Å; F265-L268 PolarHBondContact O-N 2.85Å; L268-V275 HydrophobicContact CD2-CB 4.2Å; L268-V275 HydrophobicContact CD2-CG2 3.88Å; L268-V275 HydrophobicContact CG-CB 4.46Å; L268-V275 HydrophobicContact CG-CG2 4.17Å
269	Q	92.8	Very high	90.3	Very high	37 Å²	37	36 Å²	36	17%	0.173	18%	0.184	C	C	.	.	H	α-helix	trans	-80.1	-37.9	176.4	-177.7	167.7	-40	0	0	112.9	F234 Y244 F265 Y266 E267 D541	F234-Q269 HydrophobicContact CE2-CB 4.28Å; F234-Q269 HydrophobicContact CZ-CB 4.15Å; Y244-Q269 PolarHBondContact OH-OE1 3.23Å; F265-Q269 PolarHBondContact O-N 3.42Å; F265-Q269 VanDerWaalsContact O-N 3.11Å; Y266-Q269 PolarHBondContact O-N 3.34Å; E267-Q269 PolarHBondContact O-N 2.73Å; Q269-D541 PolarHBondContact NE2-OD1 2.98Å; Q269-D541 VanDerWaalsContact NE2-OD1 3.09Å
270	H	89.5	Confident	90.1	Very high	56 Å²	56	36.1 Å²	36.1	26%	0.259	18%	0.184	S	C	.	.	H	α-helix	trans	-109.2	-32.3	-168.5	-60.6	84	0	0	0	115	K209 Y266 E267 D541	K209-H270 PolarHBondContact NZ-O 2.73Å; Y266-H270 AromaticContact CD2-CE1 3.65Å; Y266-H270 AromaticContact CD2-ND1 3.66Å; Y266-H270 AromaticContact CE2-CE1 3.47Å; Y266-H270 VanDerWaalsContact CE2-CE1 3.47Å; Y266-H270 WeakPolarHBondContact CE2-CE1 3.21Å; Y266-H270 AromaticContact CE2-ND1 3.6Å; Y266-H270 AromaticContact CZ-ND1 3.93Å; Y266-H270 PolarHBondContact O-N 3.23Å; Y266-H270 VanDerWaalsContact O-N 3.1Å; Y266-H270 PolarHBondContact O-ND1 2.86Å; E267-H270 PolarHBondContact O-N 2.94Å; H270-D541 IonicContact CE1-OD1 3.8Å; H270-D541 IonicContact NE2-OD1 3.56Å; H270-D541 PolarHBondContact NE2-OD1 3.05Å; H270-D541 IonicContact NE2-OD2 2.7Å
271	S	87.3	Confident	89.7	Confident	21 Å²	21	36.5 Å²	36.5	15%	0.147	19%	0.186	C	C	.	.			trans	-66.1	149.5	-176.2	-176.8	0	0	0	0	111.2	K209 V215 E267 K273	K209-S271 WeakPolarHBondContact CD-O 3.2Å; K209-S271 PolarHBondContact NZ-O 3.46Å; V215-S271 WeakPolarHBondContact CG1-O 3.49Å; E267-S271 WeakPolarHBondContact O-CA 3.36Å; E267-S271 WeakPolarHBondContact O-CB 3.29Å; E267-S271 PolarHBondContact O-N 3.41Å; S271-K273 PolarHBondContact OG-N 2.79Å; S271-K273 PolarHBondContact OG-O 3.25Å
272	D	78.8	Confident	89.2	Confident	103 Å²	103	42.4 Å²	42.4	55%	0.551	21%	0.212	S	C	*	.	S	Bend	trans	-99.6	-3.8	168.2	-49.9	-40.4	0	0	0	111.6	K209	K209-D272 HydrophobicContact CD-CB 4.21Å; K209-D272 WeakPolarHBondContact CD-OD1 3.4Å; K209-D272 VanDerWaalsContact CE-OD1 3.28Å; K209-D272 WeakPolarHBondContact CE-OD1 3.09Å; K209-D272 IonicContact NZ-OD1 3.48Å; K209-D272 PolarHBondContact NZ-OD1 3.43Å
273	K	79.9	Confident	88.8	Confident	151 Å²	151	43 Å²	43	66%	0.657	22%	0.216	S	C	*	.	S	Bend	trans	-113.8	153.7	-179.1	-62	-176.4	-178.6	179.7	0	110.9	S271 V275	S271-K273 PolarHBondContact OG-N 2.79Å; S271-K273 PolarHBondContact OG-O 3.25Å; K273-V275 PolarHBondContact O-N 2.89Å
274	P	81.1	Confident	88.2	Confident	40 Å²	40	44 Å²	44	26%	0.26	22%	0.221	S	C	.	.	P	Polyproline II helix	trans	-53.1	132.9	174.3	-27.5	35	0	0	0	112.3	G216 K218 D491	G216-P274 CarbonylContact O-C 3.54Å; G216-P274 WeakPolarHBondContact O-CA 3.26Å; K218-P274 WeakPolarHBondContact CE-O 3.16Å; K218-P274 HydrophobicContact CG-CB 3.75Å; P274-D491 HydrophobicContact CB-CB 3.71Å; P274-D491 HydrophobicContact CG-CB 3.77Å
275	V	88.3	Confident	87.4	Confident	6 Å²	6	46.7 Å²	46.7	4%	0.036	25%	0.249	C	C	.	.	B	Isolated β-bridge	trans	-84.3	134.6	-171	175.8	0	0	0	0	110.6	V215 G216 L217 K218 V264 E267 L268 K273	V215-V275 HydrophobicContact CG2-CG2 4.17Å; G216-V275 PolarHBondContact O-N 2.92Å; L217-V275 CarbonylContact C-O 3.57Å; L217-V275 WeakPolarHBondContact CA-O 3.46Å; L217-V275 HydrophobicContact CD2-CB 3.75Å; L217-V275 HydrophobicContact CD2-CG1 3.97Å; K218-V275 PolarHBondContact N-O 3.15Å; V264-V275 HydrophobicContact CG1-CG1 4.4Å; E267-V275 HydrophobicContact CB-CB 4.19Å; E267-V275 HydrophobicContact CB-CG1 3.51Å; E267-V275 HydrophobicContact CB-CG2 3.61Å; E267-V275 HydrophobicContact CG-CG1 4.23Å; L268-V275 HydrophobicContact CD2-CB 4.2Å; L268-V275 HydrophobicContact CD2-CG2 3.88Å; L268-V275 HydrophobicContact CG-CB 4.46Å; L268-V275 HydrophobicContact CG-CG2 4.17Å; K273-V275 PolarHBondContact O-N 2.89Å
276	G	86.8	Confident	86.5	Confident	45 Å²	45	49.4 Å²	49.4	46%	0.464	26%	0.26	S	S	.	.	P	Polyproline II helix	trans	-87	135.3	178.8	0	0	0	0	0	112.8
277	T	89.5	Confident	85.3	Confident	1 Å²	1	55.4 Å²	55.4	1%	0.006	29%	0.288	C	S	.	.			trans	-102.4	9.8	-179.3	50.6	0	0	0	0	114	L217 Q220 M226 L230 V264 K279 L280 T281	L217-T277 HydrophobicContact CD2-CG2 3.77Å; Q220-T277 PolarHBondContact NE2-O 3.32Å; Q220-T277 PolarHBondContact NE2-OG1 3.02Å; M226-T277 HydrophobicContact CE-CG2 4.09Å; M226-T277 WeakPolarHBondContact CE-OG1 3.36Å; L230-T277 HydrophobicContact CD1-CG2 3.72Å; V264-T277 HydrophobicContact CG2-CG2 4.39Å; T277-K279 PolarHBondContact O-N 3.22Å; T277-L280 WeakPolarHBondContact O-CB 3.32Å; T277-L280 PolarHBondContact O-N 3.19Å; T277-T281 PolarHBondContact O-N 3.08Å; T277-T281 VanDerWaalsContact O-N 3.14Å
278	K	86.3	Confident	84.1	Confident	153 Å²	153	59.4 Å²	59.4	67%	0.665	32%	0.315	S	S	*	.	H	α-helix	trans	-59.4	-38	-173.3	-67.8	-173.4	177	-172.4	0	114.4	Q220 L280 T281 K282	Q220-K278 HydrophobicContact CG-CG 4.3Å; Q220-K278 VanDerWaalsContact NE2-N 3.15Å; K278-L280 VanDerWaalsContact C-N 3.31Å; K278-T281 PolarHBondContact O-OG1 3.33Å; K278-T281 VanDerWaalsContact O-OG1 3.05Å; K278-K282 WeakPolarHBondContact O-CB 3.49Å; K278-K282 PolarHBondContact O-N 3.45Å
279	K	87.8	Confident	82.7	Confident	52 Å²	52	65.2 Å²	65.2	23%	0.226	35%	0.345	C	S	.	.	H	α-helix	trans	-73.3	-26.8	177.5	-71.5	-172.8	-178.3	171.7	0	112.1	T277 S283 E555 E559	T277-K279 PolarHBondContact O-N 3.22Å; K279-S283 WeakPolarHBondContact O-CB 3.39Å; K279-S283 PolarHBondContact O-N 2.75Å; K279-E555 IonicContact NZ-OE2 2.7Å; K279-E555 PolarHBondContact NZ-OE2 2.65Å; K279-E559 WeakPolarHBondContact CE-OE1 3.46Å; K279-E559 IonicContact NZ-OE1 3.82Å; K279-E559 PolarHBondContact NZ-OE1 2.89Å
280	L	89.4	Confident	81.5	Confident	2 Å²	2	65.9 Å²	65.9	1%	0.01	35%	0.35	C	S	.	.	H	α-helix	trans	-71.7	-49.3	176.8	-177.3	68.1	0	0	0	110.9	M226 L230 A260 V264 T277 K278 K282 S283 F284	M226-L280 HydrophobicContact SD-CD2 4Å; L230-L280 HydrophobicContact CD1-CD2 3.71Å; L230-L280 HydrophobicContact CD2-CD2 3.79Å; L230-L280 HydrophobicContact CG-CD2 4.3Å; A260-L280 HydrophobicContact CB-CB 4.15Å; A260-L280 HydrophobicContact CB-CD1 3.72Å; V264-L280 HydrophobicContact CG2-CB 4.48Å; V264-L280 HydrophobicContact CG2-CD2 4.47Å; T277-L280 WeakPolarHBondContact O-CB 3.32Å; T277-L280 PolarHBondContact O-N 3.19Å; K278-L280 VanDerWaalsContact C-N 3.31Å; L280-K282 VanDerWaalsContact C-N 3.3Å; L280-K282 PolarHBondContact O-N 2.86Å; L280-S283 WeakPolarHBondContact O-CB 3.42Å; L280-S283 PolarHBondContact O-N 2.81Å; L280-S283 PolarHBondContact O-OG 2.9Å; L280-F284 HydrophobicContact CD1-CE1 4.41Å; L280-F284 HydrophobicContact CD1-CE2 4.23Å; L280-F284 HydrophobicContact CD1-CZ 3.8Å; L280-F284 HydrophobicContact CD2-CE2 4.38Å; L280-F284 HydrophobicContact CD2-CZ 4.46Å; L280-F284 HydrophobicContact CG-CE2 3.83Å; L280-F284 HydrophobicContact CG-CZ 3.91Å; L280-F284 PolarHBondContact O-N 2.83Å
281	T	86.4	Confident	80.1	Confident	8 Å²	8	63.4 Å²	63.4	5%	0.049	34%	0.339	C	S	.	.	H	α-helix	trans	-59.1	-43.6	175.1	50.2	0	0	0	0	111.2	Q220 M226 T277 K278 S283 F284 W286	Q220-T281 PolarHBondContact OE1-OG1 3.25Å; M226-T281 HydrophobicContact CE-CG2 3.69Å; M226-T281 HydrophobicContact SD-CG2 3.93Å; T277-T281 PolarHBondContact O-N 3.08Å; T277-T281 VanDerWaalsContact O-N 3.14Å; K278-T281 PolarHBondContact O-OG1 3.33Å; K278-T281 VanDerWaalsContact O-OG1 3.05Å; T281-S283 VanDerWaalsContact C-N 3.27Å; T281-S283 PolarHBondContact O-N 3.2Å; T281-F284 PolarHBondContact O-N 3.4Å; T281-F284 VanDerWaalsContact O-N 3.11Å; T281-W286 HydrophobicContact CG2-CE3 4.04Å; T281-W286 HydrophobicContact CG2-CZ3 4.47Å; T281-W286 WeakPolarHBondContact O-CB 3.38Å; T281-W286 PolarHBondContact O-N 2.93Å
282	K	85.4	Confident	78.9	Confident	129 Å²	129	68.3 Å²	68.3	56%	0.561	36%	0.358	S	S	*	.	H	α-helix	trans	-59.1	-36.1	174.1	-170.2	174.4	-178.2	177.7	0	113.2	K278 L280 F284 G285	K278-K282 WeakPolarHBondContact O-CB 3.49Å; K278-K282 PolarHBondContact O-N 3.45Å; L280-K282 VanDerWaalsContact C-N 3.3Å; L280-K282 PolarHBondContact O-N 2.86Å; K282-F284 VanDerWaalsContact C-N 3.27Å; K282-F284 PolarHBondContact O-N 2.85Å; K282-G285 PolarHBondContact O-N 2.95Å
283	S	87.3	Confident	78.1	Confident	13 Å²	13	68.2 Å²	68.2	9%	0.091	36%	0.355	C	S	.	.	H	α-helix	trans	-69.1	-24.1	178.8	73.1	0	0	0	0	113.7	S254 K279 L280 T281 G285	S254-S283 WeakPolarHBondContact O-CA 3.42Å; K279-S283 WeakPolarHBondContact O-CB 3.39Å; K279-S283 PolarHBondContact O-N 2.75Å; L280-S283 WeakPolarHBondContact O-CB 3.42Å; L280-S283 PolarHBondContact O-N 2.81Å; L280-S283 PolarHBondContact O-OG 2.9Å; T281-S283 VanDerWaalsContact C-N 3.27Å; T281-S283 PolarHBondContact O-N 3.2Å; S283-G285 PolarHBondContact O-N 2.77Å
284	F	82	Confident	77.4	Confident	48 Å²	48	64.6 Å²	64.6	21%	0.211	34%	0.341	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77	-5.8	170.2	-58.5	-42.3	0	0	0	113.3	M226 V257 L280 T281 K282 W286 L304	M226-F284 HydrophobicContact SD-CE2 4.3Å; V257-F284 HydrophobicContact CB-CE1 4.25Å; V257-F284 HydrophobicContact CG1-CD1 4.33Å; V257-F284 HydrophobicContact CG1-CE1 3.56Å; V257-F284 HydrophobicContact CG1-CZ 4.37Å; V257-F284 HydrophobicContact CG2-CD1 3.54Å; V257-F284 HydrophobicContact CG2-CE1 3.66Å; L280-F284 HydrophobicContact CD1-CE1 4.41Å; L280-F284 HydrophobicContact CD1-CE2 4.23Å; L280-F284 HydrophobicContact CD1-CZ 3.8Å; L280-F284 HydrophobicContact CD2-CE2 4.38Å; L280-F284 HydrophobicContact CD2-CZ 4.46Å; L280-F284 HydrophobicContact CG-CE2 3.83Å; L280-F284 HydrophobicContact CG-CZ 3.91Å; L280-F284 PolarHBondContact O-N 2.83Å; T281-F284 PolarHBondContact O-N 3.4Å; T281-F284 VanDerWaalsContact O-N 3.11Å; K282-F284 VanDerWaalsContact C-N 3.27Å; K282-F284 PolarHBondContact O-N 2.85Å; F284-W286 VanDerWaalsContact C-N 3.3Å; F284-W286 HydrophobicContact CB-CD2 4.34Å; F284-W286 HydrophobicContact CB-CG 4.09Å; F284-W286 HydrophobicContact CD2-CD2 4.45Å; F284-L304 HydrophobicContact CE1-CD1 4.08Å; F284-L304 HydrophobicContact CZ-CD1 3.94Å
285	G	79.5	Confident	77	Confident	60 Å²	60	65.2 Å²	65.2	62%	0.619	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.3	13.5	-172.5	0	0	0	0	0	113.5	K282 S283	K282-G285 PolarHBondContact O-N 2.95Å; S283-G285 PolarHBondContact O-N 2.77Å
286	W	77	Confident	76.5	Confident	57 Å²	57	67.2 Å²	67.2	22%	0.216	35%	0.35	C	S	.	.			trans	-74.5	131	177.2	-67.7	2.8	0	0	0	110.7	Y225 T281 F284 D290 H295 L300	Y225-W286 HydrophobicContact CE2-CH2 4.22Å; Y225-W286 WeakPolarHBondContact OH-CH2 3.05Å; Y225-W286 WeakPolarHBondContact OH-CZ3 3.37Å; T281-W286 HydrophobicContact CG2-CE3 4.04Å; T281-W286 HydrophobicContact CG2-CZ3 4.47Å; T281-W286 WeakPolarHBondContact O-CB 3.38Å; T281-W286 PolarHBondContact O-N 2.93Å; F284-W286 VanDerWaalsContact C-N 3.3Å; F284-W286 HydrophobicContact CB-CD2 4.34Å; F284-W286 HydrophobicContact CB-CG 4.09Å; F284-W286 HydrophobicContact CD2-CD2 4.45Å; W286-D290 WeakPolarHBondContact CA-OD2 3.39Å; W286-D290 HydrophobicContact CB-CB 3.88Å; W286-D290 HydrophobicContact CG-CB 4.11Å; W286-H295 AromaticContact CH2-CD2 3.99Å; W286-L300 HydrophobicContact CH2-CD1 4.26Å; W286-L300 HydrophobicContact CZ2-CD1 4.49Å
287	E	70.1	Confident	76.2	Confident	143 Å²	143	65 Å²	65	67%	0.668	33%	0.328	S	S	*	.			trans	-82.4	175.1	170.5	-63.7	-167.8	174.7	0	0	111	L289 D290 S291	E287-L289 PolarHBondContact O-N 2.82Å; E287-D290 PolarHBondContact N-OD2 2.76Å; E287-D290 PolarHBondContact O-N 2.99Å; E287-S291 PolarHBondContact O-N 3.11Å
288	T	66.8	Low	75.8	Confident	112 Å²	112	66 Å²	66	69%	0.687	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.6	-31.2	-177	-44.9	0	0	0	0	111.5	S291 F292	T288-S291 PolarHBondContact O-N 3.12Å; T288-S291 PolarHBondContact O-OG 2.98Å; T288-F292 HydrophobicContact CG2-CE2 4.37Å; T288-F292 WeakPolarHBondContact O-CD2 3.18Å; T288-F292 WeakPolarHBondContact O-CE2 3.45Å
289	L	64.6	Low	75.7	Confident	133 Å²	133	64 Å²	64	70%	0.696	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.3	-36.9	178.2	-69.2	171.1	0	0	0	112.3	E287 S291 F292	E287-L289 PolarHBondContact O-N 2.82Å; L289-S291 PolarHBondContact O-N 2.82Å; L289-F292 PolarHBondContact O-N 3.49Å
290	D	67.7	Low	75.6	Confident	50 Å²	50	62.1 Å²	62.1	27%	0.267	32%	0.318	S	S	.	.	G	3₁₀ helix	trans	-64.8	-28.2	178.4	-54.7	-35.5	0	0	0	111.3	W286 E287 F292 M293	W286-D290 WeakPolarHBondContact CA-OD2 3.39Å; W286-D290 HydrophobicContact CB-CB 3.88Å; W286-D290 HydrophobicContact CG-CB 4.11Å; E287-D290 PolarHBondContact N-OD2 2.76Å; E287-D290 PolarHBondContact O-N 2.99Å; D290-F292 PolarHBondContact O-N 2.84Å; D290-F292 VanDerWaalsContact O-N 3.15Å; D290-M293 WeakPolarHBondContact O-CB 3.38Å; D290-M293 PolarHBondContact O-N 3.07Å
291	S	61.2	Low	75.6	Confident	5 Å²	5	62.2 Å²	62.2	4%	0.035	32%	0.319	C	S	.	.	G	3₁₀ helix	trans	-67	-11	174.7	74.8	0	0	0	0	114.8	A222 E287 T288 L289	A222-S291 PolarHBondContact N-O 2.98Å; E287-S291 PolarHBondContact O-N 3.11Å; T288-S291 PolarHBondContact O-N 3.12Å; T288-S291 PolarHBondContact O-OG 2.98Å; L289-S291 PolarHBondContact O-N 2.82Å
292	F	60.6	Low	75.6	Confident	124 Å²	124	67.5 Å²	67.5	54%	0.544	34%	0.338	S	S	.	.	G	3₁₀ helix	trans	-99.2	-3.2	171.4	-63.9	-84	0	0	0	112.8	A222 T288 L289 D290	A222-F292 WeakPolarHBondContact CB-O 3.43Å; T288-F292 HydrophobicContact CG2-CE2 4.37Å; T288-F292 WeakPolarHBondContact O-CD2 3.18Å; T288-F292 WeakPolarHBondContact O-CE2 3.45Å; L289-F292 PolarHBondContact O-N 3.49Å; D290-F292 PolarHBondContact O-N 2.84Å; D290-F292 VanDerWaalsContact O-N 3.15Å
293	M	63.2	Low	75.7	Confident	100 Å²	100	65.3 Å²	65.3	49%	0.493	34%	0.335	S	S	.	.	S	Bend	trans	-83.2	132.8	173.9	-66.4	-173.8	60.1	0	0	110.5	Y225 D290 H295	Y225-M293 PolarHBondContact OH-O 2.94Å; D290-M293 WeakPolarHBondContact O-CB 3.38Å; D290-M293 PolarHBondContact O-N 3.07Å; M293-H295 PolarHBondContact O-CD2 3.03Å
294	Q	64.8	Low	75.7	Confident	75 Å²	75	64.9 Å²	64.9	35%	0.35	33%	0.332	S	S	.	.			trans	-82.8	131	172.1	-59.6	-162.8	-8	0	0	108.9	A222 G464	A222-Q294 HydrophobicContact CB-CG 4.23Å; Q294-G464 PolarHBondContact NE2-O 3.29Å
295	H	71.7	Confident	76.1	Confident	54 Å²	54	63 Å²	63	25%	0.25	32%	0.324	C	S	.	.			trans	-121.1	158	176.5	-69.9	-87.6	0	0	0	109.9	Y225 W286 M293 V297	Y225-H295 HydrophobicContact CD2-CB 4.31Å; Y225-H295 HydrophobicContact CE1-CB 4.33Å; Y225-H295 HydrophobicContact CE2-CB 3.73Å; Y225-H295 AromaticContact CZ-CD2 3.9Å; Y225-H295 PolarHBondContact OH-CD2 3.33Å; Y225-H295 VanDerWaalsContact OH-CD2 3.23Å; W286-H295 AromaticContact CH2-CD2 3.99Å; M293-H295 PolarHBondContact O-CD2 3.03Å; H295-V297 PolarHBondContact O-N 2.87Å
296	D	79.3	Confident	76.5	Confident	47 Å²	47	63.3 Å²	63.3	25%	0.251	31%	0.311	S	S	.	.			trans	-68.7	129.4	171.1	-166.6	-40.3	0	0	0	109.8	Q298 E299 L300 Y522	D296-Q298 PolarHBondContact O-N 3.26Å; D296-Q298 WeakPolarHBondContact OD1-CB 3.47Å; D296-Q298 PolarHBondContact OD1-N 3.03Å; D296-E299 HydrophobicContact CB-CB 4.11Å; D296-E299 PolarHBondContact O-N 3.36Å; D296-L300 PolarHBondContact O-N 3.1Å; D296-L300 VanDerWaalsContact O-N 3.12Å; D296-Y522 WeakPolarHBondContact OD1-CE1 3.22Å; D296-Y522 PolarHBondContact OD1-OH 2.78Å; D296-Y522 VanDerWaalsContact OD1-OH 3.1Å; D296-Y522 PolarHBondContact OD2-OH 3.1Å
297	V	79.8	Confident	77.1	Confident	0 Å²	0	63.4 Å²	63.4	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-63.7	-30.4	179.5	67.9	0	0	0	0	112.5	L229 H295 C301 L455 Y466 Y522 M523	L229-V297 HydrophobicContact CB-CG2 3.83Å; H295-V297 PolarHBondContact O-N 2.87Å; V297-C301 VanDerWaalsContact O-CB 3.31Å; V297-C301 WeakPolarHBondContact O-CB 3.47Å; V297-C301 PolarHBondContact O-N 2.97Å; V297-L455 HydrophobicContact CG1-CD2 4.31Å; V297-L455 HydrophobicContact CG2-CD2 3.75Å; V297-Y466 HydrophobicContact CB-CE1 4.45Å; V297-Y466 HydrophobicContact CG1-CE1 4.27Å; V297-Y522 HydrophobicContact CG1-CD1 3.5Å; V297-Y522 HydrophobicContact CG1-CE1 3.57Å; V297-M523 HydrophobicContact CG1-SD 4.33Å
298	Q	81.7	Confident	78	Confident	21 Å²	21	56.8 Å²	56.8	10%	0.098	29%	0.285	C	S	.	.	H	α-helix	trans	-72.3	-40.5	177.9	-179.4	-93.5	-2.7	0	0	111.5	D296 L300 C301 R302 D350 Q406	D296-Q298 PolarHBondContact O-N 3.26Å; D296-Q298 WeakPolarHBondContact OD1-CB 3.47Å; D296-Q298 PolarHBondContact OD1-N 3.03Å; Q298-L300 VanDerWaalsContact C-N 3.35Å; Q298-L300 PolarHBondContact O-N 2.81Å; Q298-C301 WeakPolarHBondContact O-CB 3.49Å; Q298-C301 PolarHBondContact O-N 2.83Å; Q298-R302 PolarHBondContact O-N 3.08Å; Q298-D350 PolarHBondContact NE2-OD2 2.85Å; Q298-Q406 HydrophobicContact CB-CG 4.38Å; Q298-Q406 VanDerWaalsContact CD-OE1 3.31Å; Q298-Q406 HydrophobicContact CG-CG 4.46Å; Q298-Q406 VanDerWaalsContact CG-OE1 3.23Å
299	E	83.3	Confident	79.2	Confident	111 Å²	111	52.7 Å²	52.7	52%	0.519	26%	0.259	S	S	.	.	H	α-helix	trans	-60.9	-47.5	175	-174.8	179.8	-162.2	0	0	110.1	D296 C301 R302 V303	D296-E299 HydrophobicContact CB-CB 4.11Å; D296-E299 PolarHBondContact O-N 3.36Å; E299-C301 VanDerWaalsContact C-N 3.32Å; E299-C301 PolarHBondContact O-N 2.77Å; E299-R302 PolarHBondContact O-N 3.41Å; E299-V303 WeakPolarHBondContact O-CG2 3.44Å; E299-V303 PolarHBondContact O-N 2.81Å
300	L	86.1	Confident	80.4	Confident	12 Å²	12	50.8 Å²	50.8	6%	0.063	25%	0.249	C	C	.	.	H	α-helix	trans	-60.5	-41.2	175.5	-178.1	69.3	0	0	0	111.9	Y225 M226 L229 W286 D296 Q298 R302 V303 L304	Y225-L300 HydrophobicContact CD2-CD2 3.75Å; Y225-L300 HydrophobicContact CE2-CD2 3.72Å; M226-L300 HydrophobicContact CB-CD2 3.66Å; M226-L300 HydrophobicContact CG-CD2 3.82Å; L229-L300 HydrophobicContact CD2-CB 4.22Å; L229-L300 HydrophobicContact CD2-CD2 3.78Å; L229-L300 HydrophobicContact CD2-CG 3.82Å; W286-L300 HydrophobicContact CH2-CD1 4.26Å; W286-L300 HydrophobicContact CZ2-CD1 4.49Å; D296-L300 PolarHBondContact O-N 3.1Å; D296-L300 VanDerWaalsContact O-N 3.12Å; Q298-L300 VanDerWaalsContact C-N 3.35Å; Q298-L300 PolarHBondContact O-N 2.81Å; L300-R302 PolarHBondContact O-N 2.88Å; L300-V303 PolarHBondContact O-N 2.87Å; L300-L304 VanDerWaalsContact O-CB 3.23Å; L300-L304 WeakPolarHBondContact O-CB 3.42Å; L300-L304 PolarHBondContact O-N 3.42Å
301	C	88.9	Confident	81.4	Confident	4 Å²	4	53.6 Å²	53.6	3%	0.027	26%	0.259	C	S	.	.	H	α-helix	trans	-58.6	-47.6	177.9	-174.3	0	0	0	0	111.4	L229 V297 Q298 E299 L304 L305	L229-C301 HydrophobicContact CD1-CB 3.76Å; L229-C301 HydrophobicContact CD2-CB 3.92Å; V297-C301 VanDerWaalsContact O-CB 3.31Å; V297-C301 WeakPolarHBondContact O-CB 3.47Å; V297-C301 PolarHBondContact O-N 2.97Å; Q298-C301 WeakPolarHBondContact O-CB 3.49Å; Q298-C301 PolarHBondContact O-N 2.83Å; E299-C301 VanDerWaalsContact C-N 3.32Å; E299-C301 PolarHBondContact O-N 2.77Å; C301-L304 PolarHBondContact O-N 2.96Å; C301-L305 VanDerWaalsContact O-CB 3.32Å; C301-L305 WeakPolarHBondContact O-CB 3.35Å; C301-L305 VanDerWaalsContact O-CG 3.27Å; C301-L305 WeakPolarHBondContact O-CG 3.21Å; C301-L305 PolarHBondContact O-N 2.88Å
302	R	87	Confident	82.9	Confident	120 Å²	120	53.4 Å²	53.4	45%	0.453	26%	0.257	S	S	.	.	H	α-helix	trans	-64.2	-48.3	177.7	-72.3	-173.9	62.4	153.5	-1.5	112.2	Q298 E299 L300 L304 L305 D306	Q298-R302 PolarHBondContact O-N 3.08Å; E299-R302 PolarHBondContact O-N 3.41Å; L300-R302 PolarHBondContact O-N 2.88Å; R302-L304 VanDerWaalsContact C-N 3.28Å; R302-L304 PolarHBondContact O-N 3.34Å; R302-L305 PolarHBondContact O-N 2.99Å; R302-D306 VanDerWaalsContact O-CB 3.25Å; R302-D306 WeakPolarHBondContact O-CB 3.12Å; R302-D306 VanDerWaalsContact O-CG 3.29Å; R302-D306 PolarHBondContact O-N 3.06Å
303	V	86.8	Confident	84.3	Confident	82 Å²	82	52.9 Å²	52.9	50%	0.497	26%	0.255	S	S	.	.	H	α-helix	trans	-58.6	-43.2	179	172.1	0	0	0	0	111	E299 L300 N307	E299-V303 WeakPolarHBondContact O-CG2 3.44Å; E299-V303 PolarHBondContact O-N 2.81Å; L300-V303 PolarHBondContact O-N 2.87Å; V303-N307 VanDerWaalsContact O-CB 3.23Å; V303-N307 WeakPolarHBondContact O-CB 3.41Å; V303-N307 PolarHBondContact O-N 3.28Å
304	L	88.3	Confident	85.6	Confident	4 Å²	4	51.5 Å²	51.5	2%	0.021	27%	0.267	C	S	.	.	H	α-helix	trans	-68.9	-48.3	179.6	-176.8	59.9	0	0	0	111.9	L229 L233 V257 L261 F284 L300 C301 R302 N307 V308	L229-L304 HydrophobicContact CD2-CD2 4.5Å; L233-L304 HydrophobicContact CD1-CD2 3.63Å; V257-L304 HydrophobicContact CG1-CD1 3.9Å; L261-L304 HydrophobicContact CD1-CD2 4.28Å; F284-L304 HydrophobicContact CE1-CD1 4.08Å; F284-L304 HydrophobicContact CZ-CD1 3.94Å; L300-L304 VanDerWaalsContact O-CB 3.23Å; L300-L304 WeakPolarHBondContact O-CB 3.42Å; L300-L304 PolarHBondContact O-N 3.42Å; C301-L304 PolarHBondContact O-N 2.96Å; R302-L304 VanDerWaalsContact C-N 3.28Å; R302-L304 PolarHBondContact O-N 3.34Å; L304-N307 PolarHBondContact O-N 3.36Å; L304-V308 HydrophobicContact CD1-CG2 4.25Å; L304-V308 WeakPolarHBondContact O-CB 3.2Å; L304-V308 VanDerWaalsContact O-CG2 3.27Å; L304-V308 WeakPolarHBondContact O-CG2 3.48Å; L304-V308 PolarHBondContact O-N 2.77Å
305	L	89.7	Confident	86.8	Confident	9 Å²	9	49.4 Å²	49.4	5%	0.047	26%	0.259	C	S	.	.	H	α-helix	trans	-64.9	-41.1	-179.9	-71.4	179.5	0	0	0	111.8	L233 L239 C301 R302 V308 E309 I321 F325	L233-L305 HydrophobicContact CD2-CD2 4.2Å; L239-L305 HydrophobicContact CD2-CD2 4.47Å; C301-L305 VanDerWaalsContact O-CB 3.32Å; C301-L305 WeakPolarHBondContact O-CB 3.35Å; C301-L305 VanDerWaalsContact O-CG 3.27Å; C301-L305 WeakPolarHBondContact O-CG 3.21Å; C301-L305 PolarHBondContact O-N 2.88Å; R302-L305 PolarHBondContact O-N 2.99Å; L305-V308 PolarHBondContact O-N 2.85Å; L305-E309 VanDerWaalsContact O-CB 3.26Å; L305-E309 WeakPolarHBondContact O-CB 3.42Å; L305-E309 PolarHBondContact O-N 2.74Å; L305-I321 HydrophobicContact CB-CG2 4.15Å; L305-I321 HydrophobicContact CD2-CD1 4.25Å; L305-I321 HydrophobicContact CD2-CG2 4.2Å; L305-F325 HydrophobicContact CD1-CD2 4.43Å; L305-F325 HydrophobicContact CD2-CE2 4.2Å
306	D	88.9	Confident	87.6	Confident	67 Å²	67	52.2 Å²	52.2	36%	0.358	28%	0.284	S	S	.	.	H	α-helix	trans	-65.8	-39.2	176.3	-75	-14.6	0	0	0	111.4	R302 N310	R302-D306 VanDerWaalsContact O-CB 3.25Å; R302-D306 WeakPolarHBondContact O-CB 3.12Å; R302-D306 VanDerWaalsContact O-CG 3.29Å; R302-D306 PolarHBondContact O-N 3.06Å; D306-N310 WeakPolarHBondContact O-CB 3.32Å; D306-N310 VanDerWaalsContact O-CG 3.3Å; D306-N310 PolarHBondContact O-N 2.94Å; D306-N310 PolarHBondContact O-ND2 2.77Å
307	N	88	Confident	88.2	Confident	59 Å²	59	50.9 Å²	50.9	32%	0.316	28%	0.277	S	S	.	.	H	α-helix	trans	-63.4	-47.4	175.8	-170.9	-83.5	0	0	0	111.3	V303 L304 N310 K311	V303-N307 VanDerWaalsContact O-CB 3.23Å; V303-N307 WeakPolarHBondContact O-CB 3.41Å; V303-N307 PolarHBondContact O-N 3.28Å; L304-N307 PolarHBondContact O-N 3.36Å; N307-N310 PolarHBondContact O-N 2.98Å; N307-K311 WeakPolarHBondContact O-CB 3.35Å; N307-K311 WeakPolarHBondContact O-CG 3.28Å; N307-K311 PolarHBondContact O-N 2.61Å
308	V	89.6	Confident	88.9	Confident	3 Å²	3	56.3 Å²	56.3	2%	0.018	30%	0.302	C	S	.	.	H	α-helix	trans	-65.9	-43.8	178.8	173.5	0	0	0	0	110.9	V243 M246 L261 L304 L305 N310 K311 M312 I321	V243-V308 HydrophobicContact CG2-CG1 4.47Å; M246-V308 HydrophobicContact SD-CG1 4.09Å; L261-V308 HydrophobicContact CD2-CG2 4.07Å; L304-V308 HydrophobicContact CD1-CG2 4.25Å; L304-V308 WeakPolarHBondContact O-CB 3.2Å; L304-V308 VanDerWaalsContact O-CG2 3.27Å; L304-V308 WeakPolarHBondContact O-CG2 3.48Å; L304-V308 PolarHBondContact O-N 2.77Å; L305-V308 PolarHBondContact O-N 2.85Å; V308-N310 VanDerWaalsContact C-N 3.35Å; V308-N310 PolarHBondContact O-N 3.03Å; V308-K311 CarbonylContact O-C 3.55Å; V308-K311 PolarHBondContact O-N 2.99Å; V308-K311 VanDerWaalsContact O-N 3.14Å; V308-M312 HydrophobicContact CG1-CE 3.46Å; V308-M312 VanDerWaalsContact CG1-CE 3.46Å; V308-M312 HydrophobicContact CG1-CG 4.33Å; V308-M312 HydrophobicContact CG1-SD 4Å; V308-M312 VanDerWaalsContact O-CG 3.29Å; V308-M312 WeakPolarHBondContact O-CG 3.39Å; V308-M312 PolarHBondContact O-N 3.28Å; V308-I321 HydrophobicContact CG1-CD1 4.19Å
309	E	92.1	Very high	89.4	Confident	27 Å²	27	57 Å²	57	13%	0.126	31%	0.314	C	S	.	.	H	α-helix	trans	-57.6	-47.9	176.3	-175.8	178.8	146.8	0	0	110.9	L305 K311 M312 K313 I321 P322 Y349	L305-E309 VanDerWaalsContact O-CB 3.26Å; L305-E309 WeakPolarHBondContact O-CB 3.42Å; L305-E309 PolarHBondContact O-N 2.74Å; E309-K311 VanDerWaalsContact C-N 3.27Å; E309-K311 PolarHBondContact O-N 3.39Å; E309-M312 PolarHBondContact O-N 2.82Å; E309-M312 VanDerWaalsContact O-N 3.15Å; E309-K313 PolarHBondContact O-N 3.1Å; E309-I321 HydrophobicContact CB-CB 4.05Å; E309-I321 HydrophobicContact CB-CG1 3.89Å; E309-I321 HydrophobicContact CG-CB 4.25Å; E309-I321 HydrophobicContact CG-CG1 4.47Å; E309-P322 HydrophobicContact CG-CG 4.43Å; E309-P322 WeakPolarHBondContact OE2-CD 3.37Å; E309-Y349 WeakPolarHBondContact OE2-CE1 3.5Å; E309-Y349 PolarHBondContact OE2-OH 2.89Å
310	N	89.5	Confident	89.9	Confident	93 Å²	93	52.7 Å²	52.7	50%	0.497	30%	0.296	S	S	.	.	H	α-helix	trans	-63.4	-34.3	178.5	-76.5	-47	0	0	0	112.6	D306 N307 V308 K313	D306-N310 WeakPolarHBondContact O-CB 3.32Å; D306-N310 VanDerWaalsContact O-CG 3.3Å; D306-N310 PolarHBondContact O-N 2.94Å; D306-N310 PolarHBondContact O-ND2 2.77Å; N307-N310 PolarHBondContact O-N 2.98Å; V308-N310 VanDerWaalsContact C-N 3.35Å; V308-N310 PolarHBondContact O-N 3.03Å; N310-K313 PolarHBondContact OD1-NZ 3Å
311	K	89.1	Confident	90.2	Very high	109 Å²	109	52.1 Å²	52.1	47%	0.474	29%	0.293	S	S	.	.	H	α-helix	trans	-76.5	-20.6	176.1	-73.7	-73	-174.3	173	0	113.7	M246 P258 N307 V308 E309	M246-K311 HydrophobicContact CE-CB 3.51Å; P258-K311 HydrophobicContact CG-CB 3.84Å; P258-K311 HydrophobicContact CG-CD 4.29Å; P258-K311 HydrophobicContact CG-CG 3.75Å; N307-K311 WeakPolarHBondContact O-CB 3.35Å; N307-K311 WeakPolarHBondContact O-CG 3.28Å; N307-K311 PolarHBondContact O-N 2.61Å; V308-K311 CarbonylContact O-C 3.55Å; V308-K311 PolarHBondContact O-N 2.99Å; V308-K311 VanDerWaalsContact O-N 3.14Å; E309-K311 VanDerWaalsContact C-N 3.27Å; E309-K311 PolarHBondContact O-N 3.39Å
312	M	91.9	Very high	90.5	Very high	1 Å²	1	53.1 Å²	53.1	1%	0.005	30%	0.3	C	S	.	.	H	α-helix	trans	-81	-15.9	174.1	-71.7	177.7	172.3	0	0	113.2	A242 V243 M246 V308 E309 G314 T315 V317 E318 I321	A242-M312 HydrophobicContact CB-CE 4.01Å; V243-M312 HydrophobicContact CG2-CE 4.08Å; M246-M312 HydrophobicContact CE-CG 3.88Å; M246-M312 HydrophobicContact CG-CE 4.08Å; M246-M312 HydrophobicContact CG-CG 4.14Å; M246-M312 HydrophobicContact SD-CE 3.66Å; M246-M312 HydrophobicContact SD-CG 3.94Å; V308-M312 HydrophobicContact CG1-CE 3.46Å; V308-M312 VanDerWaalsContact CG1-CE 3.46Å; V308-M312 HydrophobicContact CG1-CG 4.33Å; V308-M312 HydrophobicContact CG1-SD 4Å; V308-M312 VanDerWaalsContact O-CG 3.29Å; V308-M312 WeakPolarHBondContact O-CG 3.39Å; V308-M312 PolarHBondContact O-N 3.28Å; E309-M312 PolarHBondContact O-N 2.82Å; E309-M312 VanDerWaalsContact O-N 3.15Å; M312-G314 PolarHBondContact O-N 3.35Å; M312-T315 WeakPolarHBondContact O-CB 3.29Å; M312-T315 PolarHBondContact O-N 3.27Å; M312-T315 VanDerWaalsContact O-N 3.15Å; M312-T315 PolarHBondContact O-OG1 3.33Å; M312-V317 HydrophobicContact CB-CG2 4.35Å; M312-V317 HydrophobicContact CE-CG2 4.43Å; M312-V317 HydrophobicContact CG-CG2 3.92Å; M312-V317 HydrophobicContact SD-CG2 4.32Å; M312-E318 WeakPolarHBondContact O-CA 3.43Å; M312-E318 WeakPolarHBondContact O-CB 3.34Å; M312-I321 HydrophobicContact CE-CD1 4.38Å; M312-I321 HydrophobicContact SD-CD1 4.17Å; M312-I321 HydrophobicContact SD-CG1 4.06Å
313	K	91.8	Very high	90.8	Very high	112 Å²	112	53.1 Å²	53.1	49%	0.487	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.7	131.5	178	-70.9	175.4	-179.8	167.1	0	111.3	E309 N310 T315	E309-K313 PolarHBondContact O-N 3.1Å; N310-K313 PolarHBondContact OD1-NZ 3Å; K313-T315 VanDerWaalsContact C-N 3.29Å
314	G	88.6	Confident	91.2	Very high	72 Å²	72	49.2 Å²	49.2	74%	0.742	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.9	11	-176.7	0	0	0	0	0	114.7	M312 E318	M312-G314 PolarHBondContact O-N 3.35Å; G314-E318 PolarHBondContact N-OE2 3.19Å
315	T	91.6	Very high	91.6	Very high	30 Å²	30	49 Å²	49	18%	0.184	28%	0.278	C	S	.	.	S	Bend	trans	-111	174.2	176.7	77.3	0	0	0	0	111.3	P247 M312 K313 V317 E318	P247-T315 HydrophobicContact CG-CG2 3.73Å; M312-T315 WeakPolarHBondContact O-CB 3.29Å; M312-T315 PolarHBondContact O-N 3.27Å; M312-T315 VanDerWaalsContact O-N 3.15Å; M312-T315 PolarHBondContact O-OG1 3.33Å; K313-T315 VanDerWaalsContact C-N 3.29Å; T315-V317 PolarHBondContact O-N 3.17Å; T315-V317 VanDerWaalsContact O-N 3.16Å; T315-V317 WeakPolarHBondContact OG1-CG2 3.45Å; T315-V317 PolarHBondContact OG1-N 2.93Å; T315-E318 PolarHBondContact O-N 2.67Å
316	C	88.7	Confident	91.9	Very high	114 Å²	114	52.9 Å²	52.9	77%	0.77	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.3	-10.8	177.5	65.5	0	0	0	0	114.7
317	V	91.9	Very high	92.2	Very high	18 Å²	18	49.7 Å²	49.7	11%	0.109	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-115.3	19.2	-178.8	-66.5	0	0	0	0	112.9	A242 M245 M246 M312 T315 G319 T320	A242-V317 HydrophobicContact CB-CB 4.13Å; A242-V317 HydrophobicContact CB-CG1 4.12Å; M245-V317 HydrophobicContact CB-CG1 3.78Å; M246-V317 HydrophobicContact CG-CG2 4.15Å; M312-V317 HydrophobicContact CB-CG2 4.35Å; M312-V317 HydrophobicContact CE-CG2 4.43Å; M312-V317 HydrophobicContact CG-CG2 3.92Å; M312-V317 HydrophobicContact SD-CG2 4.32Å; T315-V317 PolarHBondContact O-N 3.17Å; T315-V317 VanDerWaalsContact O-N 3.16Å; T315-V317 WeakPolarHBondContact OG1-CG2 3.45Å; T315-V317 PolarHBondContact OG1-N 2.93Å; V317-G319 PolarHBondContact O-N 3.27Å; V317-T320 WeakPolarHBondContact O-CB 3.44Å; V317-T320 PolarHBondContact O-N 3.25Å; V317-T320 PolarHBondContact O-OG1 2.82Å
318	E	93.4	Very high	92.5	Very high	115 Å²	115	51.3 Å²	51.3	54%	0.537	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.1	138.3	175.9	-177.8	168.1	177.8	0	0	111.9	M312 G314 T315 T320	M312-E318 WeakPolarHBondContact O-CA 3.43Å; M312-E318 WeakPolarHBondContact O-CB 3.34Å; G314-E318 PolarHBondContact N-OE2 3.19Å; T315-E318 PolarHBondContact O-N 2.67Å; E318-T320 VanDerWaalsContact C-N 3.29Å; E318-T320 PolarHBondContact O-N 3.02Å
319	G	91.4	Very high	92.7	Very high	34 Å²	34	52.3 Å²	52.3	35%	0.351	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	78.3	5.5	177	0	0	0	0	0	115.3	V317 P322 K323	V317-G319 PolarHBondContact O-N 3.27Å; G319-P322 WeakPolarHBondContact O-CD 3.49Å; G319-K323 WeakPolarHBondContact O-CB 3.24Å; G319-K323 PolarHBondContact O-N 2.93Å
320	T	93.8	Very high	92.8	Very high	22 Å²	22	51.2 Å²	51.2	14%	0.135	28%	0.279	C	S	.	.	H	α-helix	trans	-62.6	-44.3	177.7	-57.2	0	0	0	0	112.7	A242 V317 E318 K323 L324	A242-T320 HydrophobicContact CB-CG2 3.67Å; V317-T320 WeakPolarHBondContact O-CB 3.44Å; V317-T320 PolarHBondContact O-N 3.25Å; V317-T320 PolarHBondContact O-OG1 2.82Å; E318-T320 VanDerWaalsContact C-N 3.29Å; E318-T320 PolarHBondContact O-N 3.02Å; T320-K323 PolarHBondContact O-N 3.49Å; T320-L324 HydrophobicContact CG2-CD1 3.95Å; T320-L324 HydrophobicContact CG2-CG 4.43Å; T320-L324 WeakPolarHBondContact O-CG 3.46Å; T320-L324 PolarHBondContact O-N 3.07Å; T320-L324 VanDerWaalsContact O-N 3.1Å
321	I	94	Very high	93	Very high	0 Å²	0	48 Å²	48	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-62.5	-51	180	-48.2	-56.6	0	0	0	110.9	L239 L305 V308 E309 M312 K323 L324 F325 Y349	L239-I321 HydrophobicContact CD1-CD1 3.25Å; L305-I321 HydrophobicContact CB-CG2 4.15Å; L305-I321 HydrophobicContact CD2-CD1 4.25Å; L305-I321 HydrophobicContact CD2-CG2 4.2Å; V308-I321 HydrophobicContact CG1-CD1 4.19Å; E309-I321 HydrophobicContact CB-CB 4.05Å; E309-I321 HydrophobicContact CB-CG1 3.89Å; E309-I321 HydrophobicContact CG-CB 4.25Å; E309-I321 HydrophobicContact CG-CG1 4.47Å; M312-I321 HydrophobicContact CE-CD1 4.38Å; M312-I321 HydrophobicContact SD-CD1 4.17Å; M312-I321 HydrophobicContact SD-CG1 4.06Å; I321-K323 VanDerWaalsContact C-N 3.3Å; I321-K323 PolarHBondContact O-N 2.93Å; I321-L324 PolarHBondContact O-N 2.94Å; I321-F325 HydrophobicContact CG2-CD2 3.83Å; I321-F325 HydrophobicContact CG2-CE2 4.46Å; I321-F325 WeakPolarHBondContact O-CD2 3.3Å; I321-F325 PolarHBondContact O-N 2.7Å; I321-Y349 HydrophobicContact CG2-CD1 4.3Å; I321-Y349 HydrophobicContact CG2-CE1 3.88Å
322	P	94.1	Very high	93.2	Very high	25 Å²	25	44.1 Å²	44.1	16%	0.162	25%	0.246	C	C	.	.	H	α-helix	trans	-56.5	-41	172.8	-25.1	31.5	0	0	0	113.4	E309 G319 L324 R326	E309-P322 HydrophobicContact CG-CG 4.43Å; E309-P322 WeakPolarHBondContact OE2-CD 3.37Å; G319-P322 WeakPolarHBondContact O-CD 3.49Å; P322-L324 VanDerWaalsContact C-N 3.26Å; P322-L324 PolarHBondContact O-N 3.02Å; P322-R326 HydrophobicContact CB-CB 4.14Å; P322-R326 WeakPolarHBondContact O-CA 3.38Å; P322-R326 WeakPolarHBondContact O-CB 3.22Å; P322-R326 PolarHBondContact O-N 3.16Å
323	K	94.6	Very high	93.2	Very high	119 Å²	119	45.2 Å²	45.2	52%	0.517	25%	0.252	S	S	.	.	H	α-helix	trans	-60.3	-36	-179.8	-173.8	-172.1	171.8	-157.8	0	112.5	G319 T320 I321 P401 E534	G319-K323 WeakPolarHBondContact O-CB 3.24Å; G319-K323 PolarHBondContact O-N 2.93Å; T320-K323 PolarHBondContact O-N 3.49Å; I321-K323 VanDerWaalsContact C-N 3.3Å; I321-K323 PolarHBondContact O-N 2.93Å; K323-P401 WeakPolarHBondContact O-CD 3.4Å; K323-P401 WeakPolarHBondContact O-CG 3.38Å; K323-E534 IonicContact NZ-OE1 3.1Å; K323-E534 PolarHBondContact NZ-OE1 3.23Å
324	L	95.2	Very high	93.2	Very high	1 Å²	1	42.3 Å²	42.3	1%	0.005	24%	0.24	C	C	.	.	H	α-helix	trans	-87.5	-40.1	-175.6	-73.2	178.1	0	0	0	113.7	T236 Q238 L239 T320 I321 P322 P401 I402 V535	T236-L324 HydrophobicContact CG2-CD1 4.45Å; Q238-L324 HydrophobicContact CB-CD1 4.47Å; Q238-L324 HydrophobicContact CB-CD2 4.37Å; Q238-L324 HydrophobicContact CG-CD1 4.47Å; Q238-L324 HydrophobicContact CG-CD2 4.24Å; Q238-L324 VanDerWaalsContact OE1-CD2 3.25Å; L239-L324 HydrophobicContact CB-CD1 3.89Å; T320-L324 HydrophobicContact CG2-CD1 3.95Å; T320-L324 HydrophobicContact CG2-CG 4.43Å; T320-L324 WeakPolarHBondContact O-CG 3.46Å; T320-L324 PolarHBondContact O-N 3.07Å; T320-L324 VanDerWaalsContact O-N 3.1Å; I321-L324 PolarHBondContact O-N 2.94Å; P322-L324 VanDerWaalsContact C-N 3.26Å; P322-L324 PolarHBondContact O-N 3.02Å; L324-P401 WeakPolarHBondContact O-CD 3.28Å; L324-I402 HydrophobicContact CB-CD1 4.17Å; L324-I402 HydrophobicContact CD1-CD1 4.47Å; L324-I402 HydrophobicContact CD2-CD1 4.13Å; L324-I402 PolarHBondContact O-N 2.94Å; L324-V535 HydrophobicContact CD2-CG2 4.25Å
325	F	95.8	Very high	93.4	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-116.4	-19.3	-167.1	-59	-78.1	0	0	0	114	T236 L239 L305 I321 G327 Y349 P400 I402 H404	T236-F325 HydrophobicContact CG2-CZ 4.46Å; L239-F325 HydrophobicContact CD2-CE2 4.2Å; L239-F325 HydrophobicContact CD2-CZ 4.14Å; L305-F325 HydrophobicContact CD1-CD2 4.43Å; L305-F325 HydrophobicContact CD2-CE2 4.2Å; I321-F325 HydrophobicContact CG2-CD2 3.83Å; I321-F325 HydrophobicContact CG2-CE2 4.46Å; I321-F325 WeakPolarHBondContact O-CD2 3.3Å; I321-F325 PolarHBondContact O-N 2.7Å; F325-G327 PolarHBondContact O-N 3.09Å; F325-Y349 HydrophobicContact CB-CD1 3.83Å; F325-P400 VanDerWaalsContact C-CB 3.48Å; F325-P400 WeakPolarHBondContact O-CB 3.35Å; F325-P400 WeakPolarHBondContact O-CG 3.47Å; F325-I402 HydrophobicContact CD1-CB 3.91Å; F325-I402 HydrophobicContact CD1-CG2 4.02Å; F325-I402 HydrophobicContact CE1-CB 3.82Å; F325-I402 HydrophobicContact CE1-CD1 3.88Å; F325-I402 HydrophobicContact CE1-CG1 4.47Å; F325-I402 HydrophobicContact CE1-CG2 3.63Å; F325-I402 HydrophobicContact CZ-CD1 3.94Å; F325-H404 AromaticContact CD1-CE1 3.93Å; F325-H404 AromaticContact CD1-NE2 3.92Å; F325-H404 AromaticContact CE1-CE1 3.6Å; F325-H404 AromaticContact CE1-NE2 3.43Å; F325-H404 WeakPolarHBondContact CE1-NE2 3.4Å
326	R	95.6	Very high	93.3	Very high	90 Å²	90	42.2 Å²	42.2	34%	0.34	22%	0.217	S	C	.	.			trans	-77.8	116.6	-175.4	-174.1	-174	-78.3	-164.5	6.8	111.3	P322 D347 Y348 Y349	P322-R326 HydrophobicContact CB-CB 4.14Å; P322-R326 WeakPolarHBondContact O-CA 3.38Å; P322-R326 WeakPolarHBondContact O-CB 3.22Å; P322-R326 PolarHBondContact O-N 3.16Å; R326-D347 HydrophobicContact CG-CB 3.92Å; R326-D347 IonicContact CZ-OD2 2.73Å; R326-D347 IonicContact NE-OD2 3.78Å; R326-D347 PolarHBondContact NE-OD2 3.03Å; R326-D347 IonicContact NH1-OD2 3.59Å; R326-D347 PolarHBondContact NH1-OD2 2.85Å; R326-Y348 CarbonylContact C-O 3.6Å; R326-Y348 WeakPolarHBondContact CA-O 3.36Å; R326-Y349 HydrophobicContact CB-CE2 4.31Å; R326-Y349 HydrophobicContact CG-CE2 4.26Å; R326-Y349 PolarHBondContact NE-OH 2.83Å; R326-Y349 PolarHBondContact NH2-OH 2.91Å
327	G	95.1	Very high	93.3	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	171.1	162.4	0	0	0	0	0	112.1	F325 D347 Y348	F325-G327 PolarHBondContact O-N 3.09Å; G327-D347 WeakPolarHBondContact O-CA 3.05Å; G327-Y348 PolarHBondContact N-O 3.11Å; G327-Y348 PolarHBondContact O-N 3.39Å
328	K	94.9	Very high	93.2	Very high	93 Å²	93	43.8 Å²	43.8	40%	0.404	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	133.6	174.4	-61.1	-165.8	171.8	-172.1	0	110.7	I345 E346 D347 Y348 L397 T398	K328-I345 HydrophobicContact CD-CG2 4.5Å; K328-E346 WeakPolarHBondContact CA-O 3.36Å; K328-D347 WeakPolarHBondContact CE-OD1 3.12Å; K328-D347 WeakPolarHBondContact CG-OD1 3.47Å; K328-Y348 VanDerWaalsContact N-CE1 3.35Å; K328-L397 HydrophobicContact CB-CB 4.09Å; K328-L397 HydrophobicContact CB-CD1 4.36Å; K328-L397 WeakPolarHBondContact O-CB 3.35Å; K328-L397 PolarHBondContact O-N 2.5Å; K328-T398 WeakPolarHBondContact CB-OG1 3.39Å; K328-T398 PolarHBondContact N-O 3.42Å; K328-T398 VanDerWaalsContact N-O 3.17Å; K328-T398 PolarHBondContact N-OG1 2.92Å; K328-T398 VanDerWaalsContact N-OG1 3.12Å; K328-T398 PolarHBondContact O-N 2.98Å; K328-T398 VanDerWaalsContact O-N 3.1Å
329	M	94.7	Very high	93	Very high	24 Å²	24	45.8 Å²	45.8	12%	0.118	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	157.3	173.2	64.8	-176.3	-179.6	0	0	110.1	I345 E346 Y348 V394 K395 F396	M329-I345 WeakPolarHBondContact O-CA 3.43Å; M329-E346 HydrophobicContact CE-CB 3.99Å; M329-E346 HydrophobicContact CG-CB 4.18Å; M329-E346 PolarHBondContact N-O 3.17Å; M329-E346 PolarHBondContact O-N 3.16Å; M329-Y348 HydrophobicContact CB-CD1 4.1Å; M329-Y348 HydrophobicContact CB-CE1 4.12Å; M329-Y348 HydrophobicContact CG-CD1 3.97Å; M329-Y348 HydrophobicContact CG-CE1 4.49Å; M329-Y348 HydrophobicContact SD-CD1 4.14Å; M329-V394 HydrophobicContact CB-CG1 4.28Å; M329-V394 HydrophobicContact CG-CG1 4.48Å; M329-V394 HydrophobicContact SD-CG1 4.04Å; M329-K395 CarbonylContact C-O 3.54Å; M329-K395 WeakPolarHBondContact CA-O 3.44Å; M329-F396 HydrophobicContact CB-CD1 4.06Å; M329-F396 HydrophobicContact CB-CE1 4.37Å
330	V	94.1	Very high	92.9	Very high	4 Å²	4	47.9 Å²	47.9	2%	0.024	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	121.6	174.2	63.6	0	0	0	0	108.8	E343 R344 I345 V394 K395 L397	V330-E343 HydrophobicContact CG2-CB 4.08Å; V330-R344 WeakPolarHBondContact CA-O 3.43Å; V330-I345 HydrophobicContact CG2-CG1 4.34Å; V330-V394 WeakPolarHBondContact O-CA 3.08Å; V330-K395 HydrophobicContact CG1-CB 3.89Å; V330-K395 PolarHBondContact N-O 2.98Å; V330-K395 PolarHBondContact O-N 2.77Å; V330-L397 HydrophobicContact CB-CD1 4.29Å; V330-L397 HydrophobicContact CB-CD2 4.44Å; V330-L397 HydrophobicContact CB-CG 4.28Å; V330-L397 HydrophobicContact CG1-CD2 4.03Å; V330-L397 HydrophobicContact CG1-CG 4.26Å
331	S	92.8	Very high	92.7	Very high	25 Å²	25	53.2 Å²	53.2	18%	0.175	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	118.6	164.2	-176.2	0	0	0	0	107	R344 G393	S331-R344 PolarHBondContact N-O 3.43Å; S331-R344 PolarHBondContact O-N 2.96Å; S331-G393 WeakPolarHBondContact CA-O 3.45Å
332	Y	92.6	Very high	92.5	Very high	27 Å²	27	55 Å²	55	11%	0.106	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	146.5	175.2	71.3	-87.1	0	0	0	110.2	S342 T371 K392 G393 K395	Y332-S342 CarbonylContact C-O 3.56Å; Y332-S342 VanDerWaalsContact CA-O 3.32Å; Y332-S342 WeakPolarHBondContact CA-O 3.5Å; Y332-T371 WeakPolarHBondContact OH-CG2 3.25Å; Y332-K392 WeakPolarHBondContact O-CA 3.46Å; Y332-G393 VanDerWaalsContact CD1-O 3.23Å; Y332-G393 WeakPolarHBondContact CD1-O 3.28Å; Y332-G393 VanDerWaalsContact CE1-C 3.5Å; Y332-G393 PolarHBondContact N-O 3.22Å; Y332-G393 PolarHBondContact O-N 3.01Å; Y332-K395 HydrophobicContact CD1-CD 4.45Å; Y332-K395 HydrophobicContact CD1-CG 4.44Å; Y332-K395 HydrophobicContact CE1-CD 3.98Å; Y332-K395 HydrophobicContact CE1-CG 3.97Å
333	I	92.4	Very high	92.4	Very high	24 Å²	24	58.6 Å²	58.6	12%	0.123	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	118.9	171.6	-57.1	175.4	0	0	0	107.1	R341 S342 L374 Y380 A390 E391 K392	I333-R341 WeakPolarHBondContact O-CA 3.19Å; I333-S342 PolarHBondContact N-O 2.54Å; I333-S342 PolarHBondContact O-N 3.08Å; I333-L374 HydrophobicContact CG2-CD1 4.28Å; I333-Y380 HydrophobicContact CB-CE1 4.42Å; I333-Y380 HydrophobicContact CB-CE2 4.4Å; I333-Y380 HydrophobicContact CD1-CD2 3.64Å; I333-Y380 HydrophobicContact CD1-CE2 3.34Å; I333-Y380 HydrophobicContact CD1-CG 4.49Å; I333-Y380 HydrophobicContact CG1-CE2 4.45Å; I333-Y380 HydrophobicContact CG2-CD1 3.6Å; I333-Y380 HydrophobicContact CG2-CD2 3.81Å; I333-Y380 HydrophobicContact CG2-CE1 3.85Å; I333-Y380 HydrophobicContact CG2-CE2 4.08Å; I333-Y380 HydrophobicContact CG2-CG 3.56Å; I333-A390 HydrophobicContact CG2-CB 3.65Å; I333-E391 CarbonylContact C-O 3.58Å; I333-E391 WeakPolarHBondContact CA-O 3.45Å; I333-K392 HydrophobicContact CG1-CB 4.19Å; I333-K392 HydrophobicContact CG1-CG 4.11Å
334	Q	92.4	Very high	92.3	Very high	51 Å²	51	59.9 Å²	59.9	24%	0.238	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	117.7	-179.4	-179.5	65.4	53.4	0	0	109.3	Y340 R341 A390 E391	Q334-Y340 PolarHBondContact NE2-O 2.84Å; Q334-R341 VanDerWaalsContact OE1-CB 3.32Å; Q334-R341 VanDerWaalsContact OE1-CG 3.31Å; Q334-A390 CarbonylContact O-C 3.53Å; Q334-A390 WeakPolarHBondContact O-CA 3.49Å; Q334-A390 WeakPolarHBondContact O-CB 3.37Å; Q334-E391 PolarHBondContact N-O 3.14Å; Q334-E391 PolarHBondContact O-N 2.83Å
335	C	91.9	Very high	92.2	Very high	5 Å²	5	65 Å²	65	3%	0.034	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	142.9	173.4	-68.7	0	0	0	0	110.7	V338 Y340 Q388	C335-V338 HydrophobicContact CB-CB 4.38Å; C335-V338 VanDerWaalsContact CB-O 3.26Å; C335-V338 WeakPolarHBondContact CB-O 3.4Å; C335-Y340 PolarHBondContact N-O 3.48Å; C335-Q388 HydrophobicContact CB-CB 4.31Å
336	K	90.4	Very high	92	Very high	95 Å²	95	67.7 Å²	67.7	41%	0.413	31%	0.312	S	S	.	.	S	Bend	trans	-82.6	-41.1	-178.8	-68.1	-174.9	177.8	179.1	0	113.3	E389 E391	K336-E389 HydrophobicContact CD-CB 4.46Å; K336-E389 PolarHBondContact N-O 2.86Å; K336-E391 WeakPolarHBondContact CE-OE1 3.18Å; K336-E391 HydrophobicContact CG-CG 4.25Å
337	H	89.1	Confident	92	Very high	128 Å²	128	66.7 Å²	66.7	59%	0.593	31%	0.313	S	S	*	.	S	Bend	trans	-101	-5.7	-171.5	-53.7	-59.7	0	0	0	113.2	E389	H337-E389 IonicContact CD2-OE2 3.9Å; H337-E389 IonicContact CE1-OE2 3.87Å; H337-E389 IonicContact NE2-OE2 3.83Å; H337-E389 PolarHBondContact NE2-OE2 2.86Å
338	V	88.6	Confident	92	Very high	38 Å²	38	67.3 Å²	67.3	23%	0.23	32%	0.316	C	S	.	.	S	Bend	trans	-137.8	142.1	179.9	-175	0	0	0	0	108.6	C335 Y340 H385 Q388	C335-V338 HydrophobicContact CB-CB 4.38Å; C335-V338 VanDerWaalsContact CB-O 3.26Å; C335-V338 WeakPolarHBondContact CB-O 3.4Å; V338-Y340 PolarHBondContact O-N 2.83Å; V338-H385 HydrophobicContact CG1-CB 4.34Å; V338-Q388 HydrophobicContact CG2-CG 4.29Å
339	D	88.6	Confident	91.9	Very high	157 Å²	157	65 Å²	65	84%	0.84	31%	0.305	S	S	*	.			trans	-77.6	67.1	176.2	-167	20.6	0	0	0	111.1
340	Y	89.5	Confident	91.9	Very high	77 Å²	77	64.9 Å²	64.9	30%	0.302	31%	0.305	S	S	.	.			trans	-123.9	124.9	175.7	-175.5	-86.9	0	0	0	109.7	Q334 C335 V338 Y380 A382	Q334-Y340 PolarHBondContact NE2-O 2.84Å; C335-Y340 PolarHBondContact N-O 3.48Å; V338-Y340 PolarHBondContact O-N 2.83Å; Y340-Y380 HydrophobicContact CD1-CE1 4.07Å; Y340-Y380 AromaticContact CE1-CE1 3.73Å; Y340-Y380 HydrophobicContact CE1-CE1 3.73Å; Y340-A382 HydrophobicContact CD1-CB 3.86Å; Y340-A382 HydrophobicContact CE1-CB 4.19Å; Y340-A382 HydrophobicContact CG-CB 4.15Å
341	R	89.8	Confident	92	Very high	134 Å²	134	64.8 Å²	64.8	51%	0.506	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	125.4	177.4	-172.1	177.2	176	159.4	-4.8	109.8	I333 Q334 E343	I333-R341 WeakPolarHBondContact O-CA 3.19Å; Q334-R341 VanDerWaalsContact OE1-CB 3.32Å; Q334-R341 VanDerWaalsContact OE1-CG 3.31Å; R341-E343 HydrophobicContact CG-CG 4.21Å; R341-E343 IonicContact CZ-OE1 2.65Å; R341-E343 IonicContact NE-OE1 3.15Å; R341-E343 PolarHBondContact NE-OE1 2.84Å; R341-E343 IonicContact NH2-OE1 2.67Å; R341-E343 PolarHBondContact NH2-OE1 3.04Å
342	S	90	Very high	92	Very high	37 Å²	37	67.7 Å²	67.7	26%	0.259	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	132.3	171.1	-173	0	0	0	0	109.2	Y332 I333 Y380	Y332-S342 CarbonylContact C-O 3.56Å; Y332-S342 VanDerWaalsContact CA-O 3.32Å; Y332-S342 WeakPolarHBondContact CA-O 3.5Å; I333-S342 PolarHBondContact N-O 2.54Å; I333-S342 PolarHBondContact O-N 3.08Å; S342-Y380 VanDerWaalsContact CB-OH 3.31Å; S342-Y380 WeakPolarHBondContact CB-OH 3.37Å; S342-Y380 PolarHBondContact OG-OH 3.43Å
343	E	91.9	Very high	92.2	Very high	101 Å²	101	66.4 Å²	66.4	47%	0.472	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	131.7	175.3	-61.7	-167.2	148.4	0	0	109.6	V330 R341	V330-E343 HydrophobicContact CG2-CB 4.08Å; R341-E343 HydrophobicContact CG-CG 4.21Å; R341-E343 IonicContact CZ-OE1 2.65Å; R341-E343 IonicContact NE-OE1 3.15Å; R341-E343 PolarHBondContact NE-OE1 2.84Å; R341-E343 IonicContact NH2-OE1 2.67Å; R341-E343 PolarHBondContact NH2-OE1 3.04Å
344	R	92.3	Very high	92.2	Very high	147 Å²	147	67.7 Å²	67.7	56%	0.555	32%	0.321	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-126.7	118	174.9	-175	171.2	128.2	-177.6	-6.9	108.8	V330 S331 E346	V330-R344 WeakPolarHBondContact CA-O 3.43Å; S331-R344 PolarHBondContact N-O 3.43Å; S331-R344 PolarHBondContact O-N 2.96Å; R344-E346 HydrophobicContact CG-CG 4.17Å; R344-E346 IonicContact CZ-OE1 3.96Å; R344-E346 IonicContact NE-OE1 3.76Å; R344-E346 PolarHBondContact NE-OE1 3.07Å; R344-E346 IonicContact NH2-OE1 2.91Å; R344-E346 PolarHBondContact NH2-OE1 3.38Å; R344-E346 IonicContact NH2-OE2 3.94Å
345	I	93.9	Very high	92.2	Very high	109 Å²	109	65.5 Å²	65.5	56%	0.559	31%	0.31	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.6	128.4	174.2	-59.1	175.9	0	0	0	107.9	K328 M329 V330 L397	K328-I345 HydrophobicContact CD-CG2 4.5Å; M329-I345 WeakPolarHBondContact O-CA 3.43Å; V330-I345 HydrophobicContact CG2-CG1 4.34Å; I345-L397 HydrophobicContact CD1-CD1 4.17Å; I345-L397 HydrophobicContact CG1-CD1 4.15Å; I345-L397 HydrophobicContact CG2-CD1 4.02Å
346	E	92.2	Very high	92.1	Very high	55 Å²	55	71 Å²	71	26%	0.257	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	143.8	179.3	-62.4	-176.3	-167.6	0	0	110.4	K328 M329 R344	K328-E346 WeakPolarHBondContact CA-O 3.36Å; M329-E346 HydrophobicContact CE-CB 3.99Å; M329-E346 HydrophobicContact CG-CB 4.18Å; M329-E346 PolarHBondContact N-O 3.17Å; M329-E346 PolarHBondContact O-N 3.16Å; R344-E346 HydrophobicContact CG-CG 4.17Å; R344-E346 IonicContact CZ-OE1 3.96Å; R344-E346 IonicContact NE-OE1 3.76Å; R344-E346 PolarHBondContact NE-OE1 3.07Å; R344-E346 IonicContact NH2-OE1 2.91Å; R344-E346 PolarHBondContact NH2-OE1 3.38Å; R344-E346 IonicContact NH2-OE2 3.94Å
347	D	94.3	Very high	92	Very high	69 Å²	69	69.8 Å²	69.8	37%	0.369	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	142.5	172.2	-67.6	-25.8	0	0	0	109	R326 G327 K328	R326-D347 HydrophobicContact CG-CB 3.92Å; R326-D347 IonicContact CZ-OD2 2.73Å; R326-D347 IonicContact NE-OD2 3.78Å; R326-D347 PolarHBondContact NE-OD2 3.03Å; R326-D347 IonicContact NH1-OD2 3.59Å; R326-D347 PolarHBondContact NH1-OD2 2.85Å; G327-D347 WeakPolarHBondContact O-CA 3.05Å; K328-D347 WeakPolarHBondContact CE-OD1 3.12Å; K328-D347 WeakPolarHBondContact CG-OD1 3.47Å
348	Y	94.8	Very high	92.3	Very high	14 Å²	14	66.1 Å²	66.1	6%	0.055	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	151.9	175.3	67.9	-91	0	0	0	110.6	R326 G327 K328 M329 D350 I351 F396 T398 F399 L403	R326-Y348 CarbonylContact C-O 3.6Å; R326-Y348 WeakPolarHBondContact CA-O 3.36Å; G327-Y348 PolarHBondContact N-O 3.11Å; G327-Y348 PolarHBondContact O-N 3.39Å; K328-Y348 VanDerWaalsContact N-CE1 3.35Å; M329-Y348 HydrophobicContact CB-CD1 4.1Å; M329-Y348 HydrophobicContact CB-CE1 4.12Å; M329-Y348 HydrophobicContact CG-CD1 3.97Å; M329-Y348 HydrophobicContact CG-CE1 4.49Å; M329-Y348 HydrophobicContact SD-CD1 4.14Å; Y348-D350 WeakPolarHBondContact CD2-O 3.35Å; Y348-I351 HydrophobicContact CD2-CD1 4.42Å; Y348-I351 HydrophobicContact CD2-CG1 3.79Å; Y348-I351 HydrophobicContact CE2-CD1 3.76Å; Y348-I351 HydrophobicContact CE2-CG1 3.62Å; Y348-F396 AromaticContact CE1-CD1 3.75Å; Y348-F396 HydrophobicContact CE1-CD1 3.75Å; Y348-F396 AromaticContact CE1-CE1 3.97Å; Y348-F396 HydrophobicContact CE1-CE1 3.97Å; Y348-F396 AromaticContact CZ-CD1 3.85Å; Y348-F396 AromaticContact CZ-CE1 3.97Å; Y348-T398 PolarHBondContact OH-O 2.81Å; Y348-F399 WeakPolarHBondContact OH-CD1 3.35Å; Y348-L403 HydrophobicContact CE2-CD1 4.37Å
349	Y	93.9	Very high	92.5	Very high	45 Å²	45	71.1 Å²	71.1	18%	0.176	35%	0.35	C	S	.	.	S	Bend	trans	-116	-18.5	177.7	-73.5	-116.2	0	0	0	111.9	E309 I321 F325 R326	E309-Y349 WeakPolarHBondContact OE2-CE1 3.5Å; E309-Y349 PolarHBondContact OE2-OH 2.89Å; I321-Y349 HydrophobicContact CG2-CD1 4.3Å; I321-Y349 HydrophobicContact CG2-CE1 3.88Å; F325-Y349 HydrophobicContact CB-CD1 3.83Å; R326-Y349 HydrophobicContact CB-CE2 4.31Å; R326-Y349 HydrophobicContact CG-CE2 4.26Å; R326-Y349 PolarHBondContact NE-OH 2.83Å; R326-Y349 PolarHBondContact NH2-OH 2.91Å
350	D	94.4	Very high	92.7	Very high	21 Å²	21	65.4 Å²	65.4	11%	0.112	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	162.9	173	53.2	38.6	0	0	0	109.8	Q298 Y348 H404	Q298-D350 PolarHBondContact NE2-OD2 2.85Å; Y348-D350 WeakPolarHBondContact CD2-O 3.35Å; D350-H404 CarbonylContact C-O 3.49Å; D350-H404 WeakPolarHBondContact CA-O 3.32Å; D350-H404 HydrophobicContact CB-CB 4.04Å
351	I	95.4	Very high	93	Very high	1 Å²	1	61.7 Å²	61.7	1%	0.005	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	127.6	172.8	-55.7	178.9	0	0	0	108.4	Y348 L353 F365 Y368 F396 F399 L403 H404 L405 Q406	Y348-I351 HydrophobicContact CD2-CD1 4.42Å; Y348-I351 HydrophobicContact CD2-CG1 3.79Å; Y348-I351 HydrophobicContact CE2-CD1 3.76Å; Y348-I351 HydrophobicContact CE2-CG1 3.62Å; I351-L353 HydrophobicContact CG2-CD2 3.87Å; I351-L353 HydrophobicContact CG2-CG 4.39Å; I351-F365 HydrophobicContact CD1-CE1 4.08Å; I351-F365 HydrophobicContact CD1-CZ 4.24Å; I351-Y368 HydrophobicContact CG2-CD2 4.33Å; I351-Y368 HydrophobicContact CG2-CE2 4.04Å; I351-F396 HydrophobicContact CD1-CE1 3.64Å; I351-F396 HydrophobicContact CD1-CZ 3.8Å; I351-F396 HydrophobicContact CG1-CE1 4.33Å; I351-F396 HydrophobicContact CG2-CZ 4.43Å; I351-F399 HydrophobicContact CD1-CD1 4.38Å; I351-F399 HydrophobicContact CD1-CE1 3.93Å; I351-L403 HydrophobicContact CD1-CD1 3.77Å; I351-L403 HydrophobicContact CG1-CD1 4.26Å; I351-H404 PolarHBondContact N-O 3.27Å; I351-L405 HydrophobicContact CB-CD2 3.81Å; I351-L405 HydrophobicContact CD1-CD2 4.21Å; I351-L405 HydrophobicContact CG1-CD2 4.34Å; I351-L405 HydrophobicContact CG2-CD2 4.49Å; I351-L405 WeakPolarHBondContact O-CA 3.18Å; I351-Q406 PolarHBondContact O-N 2.77Å
352	Q	94.3	Very high	93.3	Very high	87 Å²	87	58.1 Å²	58.1	41%	0.407	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	117.2	177.4	-66.7	171.1	-3.4	0	0	109.7	Q406 M408	Q352-Q406 HydrophobicContact CG-CB 4.41Å; Q352-M408 HydrophobicContact CB-CG 4.27Å; Q352-M408 HydrophobicContact CB-SD 4.01Å; Q352-M408 HydrophobicContact CG-SD 4.18Å
353	L	95	Very high	93.5	Very high	0 Å²	0	59.8 Å²	59.8	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	124.4	-177.6	-64	-179.5	0	0	0	110.9	I351 I361 F365 L405 Q406 L407 M408	I351-L353 HydrophobicContact CG2-CD2 3.87Å; I351-L353 HydrophobicContact CG2-CG 4.39Å; L353-I361 HydrophobicContact CD1-CG2 4.28Å; L353-F365 HydrophobicContact CD1-CD2 4.1Å; L353-F365 HydrophobicContact CD1-CE2 3.74Å; L353-F365 HydrophobicContact CD2-CD2 4.03Å; L353-F365 HydrophobicContact CD2-CE2 4.04Å; L353-F365 HydrophobicContact CD2-CG 4.35Å; L353-F365 HydrophobicContact CD2-CZ 4.36Å; L353-L405 HydrophobicContact CD1-CB 4.26Å; L353-L405 HydrophobicContact CD1-CD1 4.13Å; L353-L405 HydrophobicContact CD1-CD2 4.34Å; L353-L405 HydrophobicContact CD1-CG 4.49Å; L353-Q406 PolarHBondContact N-O 2.93Å; L353-L407 HydrophobicContact CB-CD2 4.28Å; L353-L407 HydrophobicContact CD1-CD2 4.3Å; L353-M408 WeakPolarHBondContact O-CB 3.34Å; L353-M408 WeakPolarHBondContact O-CG 3.46Å; L353-M408 PolarHBondContact O-N 3.04Å
354	S	93.3	Very high	93.7	Very high	51 Å²	51	55 Å²	55	36%	0.357	27%	0.274	S	S	.	.			trans	-67.7	131	171.2	-176.6	0	0	0	0	110.1	K358 S364	S354-K358 WeakPolarHBondContact O-CG 3.1Å; S354-S364 WeakPolarHBondContact O-CB 3.41Å; S354-S364 PolarHBondContact O-OG 2.78Å
355	I	92.8	Very high	93.8	Very high	4 Å²	4	48 Å²	48	2%	0.021	25%	0.248	C	C	.	.			trans	-109.2	-24.4	-179.3	66.1	176.3	0	0	0	113.2	G357 K358 L407 M408 R409 I422 F426	I355-G357 PolarHBondContact O-N 2.98Å; I355-G357 VanDerWaalsContact O-N 3.15Å; I355-K358 PolarHBondContact O-N 2.9Å; I355-L407 HydrophobicContact CG2-CB 4.05Å; I355-M408 WeakPolarHBondContact CD1-O 3.42Å; I355-M408 WeakPolarHBondContact CG1-O 3.26Å; I355-R409 HydrophobicContact CD1-CB 4Å; I355-R409 HydrophobicContact CD1-CG 3.29Å; I355-I422 HydrophobicContact CD1-CB 3.79Å; I355-I422 HydrophobicContact CD1-CD1 4.08Å; I355-I422 HydrophobicContact CD1-CG2 3.64Å; I355-I422 HydrophobicContact CG1-CD1 4.05Å; I355-I422 HydrophobicContact CG1-CG2 4.1Å; I355-F426 HydrophobicContact CB-CD2 4.13Å; I355-F426 HydrophobicContact CB-CE2 4.43Å; I355-F426 HydrophobicContact CG2-CD1 4.48Å; I355-F426 HydrophobicContact CG2-CD2 4.08Å; I355-F426 HydrophobicContact CG2-CE2 4.14Å; I355-F426 HydrophobicContact CG2-CG 4.25Å; I355-F426 HydrophobicContact CG2-CZ 4.32Å
356	K	89.4	Confident	93.8	Very high	121 Å²	121	48.5 Å²	48.5	53%	0.526	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.8	119.8	-170.6	-171.8	171.9	-171.9	169.2	0	109.3	K358 M411 I422	K356-K358 VanDerWaalsContact C-N 3.27Å; K356-K358 PolarHBondContact O-N 2.87Å; K356-M411 HydrophobicContact CD-CE 4.02Å; K356-M411 HydrophobicContact CD-SD 3.6Å; K356-M411 VanDerWaalsContact CD-SD 3.6Å; K356-M411 PolarHBondContact NZ-SD 3.38Å; K356-I422 HydrophobicContact CB-CD1 4.27Å
357	G	88.6	Confident	93.9	Very high	70 Å²	70	49.1 Å²	49.1	72%	0.722	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.2	15	-176.6	0	0	0	0	0	114.8	I355	I355-G357 PolarHBondContact O-N 2.98Å; I355-G357 VanDerWaalsContact O-N 3.15Å
358	K	94.5	Very high	93.9	Very high	50 Å²	50	49.1 Å²	49.1	22%	0.217	25%	0.246	C	C	.	.			trans	-112.9	138.3	175.4	-47.5	-57.9	-179.9	176.1	0	109.5	S354 I355 K356 E363 D367 F426	S354-K358 WeakPolarHBondContact O-CG 3.1Å; I355-K358 PolarHBondContact O-N 2.9Å; K356-K358 VanDerWaalsContact C-N 3.27Å; K356-K358 PolarHBondContact O-N 2.87Å; K358-E363 HydrophobicContact CB-CB 4.35Å; K358-D367 VanDerWaalsContact CE-CG 3.43Å; K358-D367 WeakPolarHBondContact CE-OD2 3.38Å; K358-D367 IonicContact NZ-OD1 2.73Å; K358-D367 PolarHBondContact NZ-OD1 3.35Å; K358-D367 IonicContact NZ-OD2 2.72Å; K358-D367 PolarHBondContact NZ-OD2 3.39Å; K358-F426 HydrophobicContact CB-CE2 4.19Å
359	K	93	Very high	93.8	Very high	144 Å²	144	50.2 Å²	50.2	63%	0.626	25%	0.254	S	S	*	.			trans	-88.2	-30.4	-176.7	-64.6	-179.9	-179.8	179.7	0	113.5	E363 E427	K359-E363 PolarHBondContact N-OE2 3.26Å; K359-E427 PolarHBondContact O-N 3.35Å
360	N	94.1	Very high	93.8	Very high	36 Å²	36	50.3 Å²	50.3	19%	0.193	26%	0.264	C	S	.	.	B	Isolated β-bridge	trans	-153.8	169.7	-173.9	60	56.6	0	0	0	112.1	F362 E363 S364 F426 E427	N360-F362 VanDerWaalsContact C-N 3.28Å; N360-F362 PolarHBondContact O-N 3.27Å; N360-F362 WeakPolarHBondContact OD1-CB 3.28Å; N360-F362 PolarHBondContact OD1-N 3.34Å; N360-F362 VanDerWaalsContact OD1-N 3.08Å; N360-E363 PolarHBondContact O-N 2.82Å; N360-E363 PolarHBondContact OD1-N 3.25Å; N360-S364 PolarHBondContact O-N 2.73Å; N360-F426 VanDerWaalsContact C-CE2 3.47Å; N360-F426 WeakPolarHBondContact O-CE2 3.49Å; N360-E427 VanDerWaalsContact CA-O 3.22Å; N360-E427 WeakPolarHBondContact CA-O 3.37Å; N360-E427 HydrophobicContact CB-CB 3.98Å; N360-E427 WeakPolarHBondContact CB-O 3.4Å
361	I	95.5	Very high	93.6	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-53	-40.7	178.4	-72.6	-174.5	0	0	0	113.2	L353 E363 S364 F365 L405 F426 E427 F428 L432 L524 Y526	L353-I361 HydrophobicContact CD1-CG2 4.28Å; I361-E363 PolarHBondContact O-N 2.79Å; I361-S364 WeakPolarHBondContact O-CB 3.22Å; I361-S364 PolarHBondContact O-N 3.33Å; I361-F365 HydrophobicContact CG2-CD2 3.45Å; I361-F365 VanDerWaalsContact CG2-CD2 3.45Å; I361-F365 HydrophobicContact CG2-CE2 3.55Å; I361-F365 WeakPolarHBondContact O-CD2 3.41Å; I361-F365 PolarHBondContact O-N 2.79Å; I361-L405 HydrophobicContact CD1-CD1 4.29Å; I361-F426 HydrophobicContact CB-CZ 4.41Å; I361-F426 HydrophobicContact CG1-CE1 3.55Å; I361-F426 HydrophobicContact CG1-CZ 3.82Å; I361-E427 PolarHBondContact N-O 3.39Å; I361-F428 HydrophobicContact CD1-CB 3.28Å; I361-F428 HydrophobicContact CG1-CB 3.84Å; I361-L432 HydrophobicContact CB-CD1 4.49Å; I361-L432 HydrophobicContact CG2-CD1 3.71Å; I361-L432 HydrophobicContact CG2-CD2 4.12Å; I361-L524 HydrophobicContact CD1-CD1 3.59Å; I361-Y526 HydrophobicContact CD1-CE2 4.28Å
362	F	94.8	Very high	93.4	Very high	58 Å²	58	57.5 Å²	57.5	25%	0.254	30%	0.302	S	S	.	.	H	α-helix	trans	-64.9	-40	-177.1	-66.1	-82.9	0	0	0	112.4	N360 S364 F365 K366 P429 L432 P433 F437	N360-F362 VanDerWaalsContact C-N 3.28Å; N360-F362 PolarHBondContact O-N 3.27Å; N360-F362 WeakPolarHBondContact OD1-CB 3.28Å; N360-F362 PolarHBondContact OD1-N 3.34Å; N360-F362 VanDerWaalsContact OD1-N 3.08Å; F362-S364 VanDerWaalsContact C-N 3.31Å; F362-F365 PolarHBondContact O-N 2.79Å; F362-K366 WeakPolarHBondContact O-CB 3.37Å; F362-K366 WeakPolarHBondContact O-CG 3.35Å; F362-K366 PolarHBondContact O-N 3.17Å; F362-P429 HydrophobicContact CE2-CG 4.07Å; F362-P429 HydrophobicContact CZ-CG 4.48Å; F362-L432 HydrophobicContact CE1-CD1 4.11Å; F362-L432 HydrophobicContact CE2-CD1 4.33Å; F362-L432 HydrophobicContact CZ-CD1 3.94Å; F362-P433 HydrophobicContact CE1-CG 3.97Å; F362-P433 HydrophobicContact CZ-CG 3.91Å; F362-F437 HydrophobicContact CD1-CE2 4.46Å
363	E	95.3	Very high	93.2	Very high	73 Å²	73	57 Å²	57	34%	0.341	30%	0.3	S	S	.	.	H	α-helix	trans	-63.2	-39.2	174.4	-71.1	-178.5	-178.5	0	0	111.5	K358 K359 N360 I361 K366 D367	K358-E363 HydrophobicContact CB-CB 4.35Å; K359-E363 PolarHBondContact N-OE2 3.26Å; N360-E363 PolarHBondContact O-N 2.82Å; N360-E363 PolarHBondContact OD1-N 3.25Å; I361-E363 PolarHBondContact O-N 2.79Å; E363-K366 PolarHBondContact O-N 3.21Å; E363-D367 WeakPolarHBondContact O-CB 3.48Å; E363-D367 PolarHBondContact O-N 3.26Å
364	S	95.7	Very high	92.9	Very high	1 Å²	1	58.4 Å²	58.4	1%	0.007	31%	0.307	C	S	.	.	H	α-helix	trans	-67.8	-38.9	175.6	-60.3	0	0	0	0	113.1	S354 N360 I361 F362 D367 Y368 F426	S354-S364 WeakPolarHBondContact O-CB 3.41Å; S354-S364 PolarHBondContact O-OG 2.78Å; N360-S364 PolarHBondContact O-N 2.73Å; I361-S364 WeakPolarHBondContact O-CB 3.22Å; I361-S364 PolarHBondContact O-N 3.33Å; F362-S364 VanDerWaalsContact C-N 3.31Å; S364-D367 WeakPolarHBondContact O-CB 3.43Å; S364-D367 PolarHBondContact O-N 3.27Å; S364-Y368 WeakPolarHBondContact O-CB 3.45Å; S364-Y368 PolarHBondContact O-N 3.49Å; S364-F426 WeakPolarHBondContact OG-CE2 3.5Å; S364-F426 WeakPolarHBondContact OG-CZ 3.4Å
365	F	95.2	Very high	92.6	Very high	0 Å²	0	60.2 Å²	60.2	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-67.2	-38.9	173.9	-92.5	-87	0	0	0	112	I351 L353 I361 F362 D367 Y368 V369 F396 F399 L405 L434 F437	I351-F365 HydrophobicContact CD1-CE1 4.08Å; I351-F365 HydrophobicContact CD1-CZ 4.24Å; L353-F365 HydrophobicContact CD1-CD2 4.1Å; L353-F365 HydrophobicContact CD1-CE2 3.74Å; L353-F365 HydrophobicContact CD2-CD2 4.03Å; L353-F365 HydrophobicContact CD2-CE2 4.04Å; L353-F365 HydrophobicContact CD2-CG 4.35Å; L353-F365 HydrophobicContact CD2-CZ 4.36Å; I361-F365 HydrophobicContact CG2-CD2 3.45Å; I361-F365 VanDerWaalsContact CG2-CD2 3.45Å; I361-F365 HydrophobicContact CG2-CE2 3.55Å; I361-F365 WeakPolarHBondContact O-CD2 3.41Å; I361-F365 PolarHBondContact O-N 2.79Å; F362-F365 PolarHBondContact O-N 2.79Å; F365-D367 VanDerWaalsContact C-N 3.31Å; F365-D367 PolarHBondContact O-N 2.97Å; F365-Y368 WeakPolarHBondContact O-CB 3.36Å; F365-Y368 PolarHBondContact O-N 2.92Å; F365-V369 WeakPolarHBondContact O-CG2 3.41Å; F365-V369 PolarHBondContact O-N 2.84Å; F365-F396 HydrophobicContact CD1-CE2 4.19Å; F365-F396 HydrophobicContact CE1-CE2 4.21Å; F365-F396 HydrophobicContact CE1-CZ 4.4Å; F365-F399 HydrophobicContact CE1-CE1 4.23Å; F365-F399 HydrophobicContact CE1-CZ 4.32Å; F365-L405 HydrophobicContact CE2-CD1 4.09Å; F365-L405 HydrophobicContact CE2-CD2 4.27Å; F365-L405 HydrophobicContact CZ-CD1 4.39Å; F365-L405 HydrophobicContact CZ-CD2 3.86Å; F365-L434 HydrophobicContact CD1-CD2 4.29Å; F365-L434 HydrophobicContact CD2-CD2 4.19Å; F365-L434 HydrophobicContact CE1-CD2 4.09Å; F365-L434 HydrophobicContact CE2-CD2 3.98Å; F365-L434 HydrophobicContact CG-CD2 4.33Å; F365-L434 HydrophobicContact CZ-CD1 4.21Å; F365-L434 HydrophobicContact CZ-CD2 3.93Å; F365-F437 HydrophobicContact CB-CD1 4.11Å; F365-F437 HydrophobicContact CB-CD2 4.12Å; F365-F437 HydrophobicContact CB-CE1 3.64Å; F365-F437 HydrophobicContact CB-CE2 3.65Å; F365-F437 HydrophobicContact CB-CG 4.34Å; F365-F437 HydrophobicContact CB-CZ 3.38Å; F365-F437 HydrophobicContact CD1-CD2 4.18Å; F365-F437 HydrophobicContact CD1-CE2 4.47Å; F365-F437 HydrophobicContact CD1-CG 4.29Å; F365-F437 HydrophobicContact CG-CD2 4.31Å; F365-F437 HydrophobicContact CG-CE2 4.14Å; F365-F437 HydrophobicContact CG-CZ 4.35Å
366	K	94.3	Very high	92.4	Very high	118 Å²	118	62 Å²	62	51%	0.513	33%	0.332	S	S	.	.	H	α-helix	trans	-61.6	-40.2	173.5	-76.3	176.1	-178.5	175.9	0	112	F362 E363 A370 F437	F362-K366 WeakPolarHBondContact O-CB 3.37Å; F362-K366 WeakPolarHBondContact O-CG 3.35Å; F362-K366 PolarHBondContact O-N 3.17Å; E363-K366 PolarHBondContact O-N 3.21Å; K366-A370 WeakPolarHBondContact O-CB 3.24Å; K366-A370 PolarHBondContact O-N 2.89Å; K366-F437 HydrophobicContact CG-CE1 3.83Å; K366-F437 HydrophobicContact CG-CZ 4.1Å
367	D	93.8	Very high	92.2	Very high	69 Å²	69	58.8 Å²	58.8	37%	0.369	32%	0.321	S	S	.	.	H	α-helix	trans	-63.9	-42.3	172.9	-165.4	67.1	0	0	0	111.5	K358 E363 S364 F365 V369 A370	K358-D367 VanDerWaalsContact CE-CG 3.43Å; K358-D367 WeakPolarHBondContact CE-OD2 3.38Å; K358-D367 IonicContact NZ-OD1 2.73Å; K358-D367 PolarHBondContact NZ-OD1 3.35Å; K358-D367 IonicContact NZ-OD2 2.72Å; K358-D367 PolarHBondContact NZ-OD2 3.39Å; E363-D367 WeakPolarHBondContact O-CB 3.48Å; E363-D367 PolarHBondContact O-N 3.26Å; S364-D367 WeakPolarHBondContact O-CB 3.43Å; S364-D367 PolarHBondContact O-N 3.27Å; F365-D367 VanDerWaalsContact C-N 3.31Å; F365-D367 PolarHBondContact O-N 2.97Å; D367-V369 PolarHBondContact O-N 2.82Å; D367-A370 VanDerWaalsContact O-CB 3.23Å; D367-A370 WeakPolarHBondContact O-CB 3.38Å; D367-A370 PolarHBondContact O-N 3.16Å; D367-A370 VanDerWaalsContact O-N 3.16Å
368	Y	93.4	Very high	92.2	Very high	69 Å²	69	60.6 Å²	60.6	27%	0.271	31%	0.313	S	S	.	.	H	α-helix	trans	-62.5	-40.1	179.8	-166.2	-82.8	0	0	0	113.1	I351 S364 F365 V394 F396	I351-Y368 HydrophobicContact CG2-CD2 4.33Å; I351-Y368 HydrophobicContact CG2-CE2 4.04Å; S364-Y368 WeakPolarHBondContact O-CB 3.45Å; S364-Y368 PolarHBondContact O-N 3.49Å; F365-Y368 WeakPolarHBondContact O-CB 3.36Å; F365-Y368 PolarHBondContact O-N 2.92Å; Y368-V394 HydrophobicContact CE1-CB 4.41Å; Y368-V394 HydrophobicContact CE1-CG1 3.87Å; Y368-F396 AromaticContact CD1-CE2 3.82Å; Y368-F396 HydrophobicContact CD1-CE2 3.82Å; Y368-F396 AromaticContact CD1-CZ 3.6Å; Y368-F396 HydrophobicContact CD1-CZ 3.6Å; Y368-F396 HydrophobicContact CE1-CE1 4.19Å; Y368-F396 HydrophobicContact CE1-CE2 4.06Å; Y368-F396 AromaticContact CE1-CZ 3.42Å; Y368-F396 HydrophobicContact CE1-CZ 3.42Å; Y368-F396 VanDerWaalsContact CE1-CZ 3.42Å
369	V	93.6	Very high	91.9	Very high	37 Å²	37	61.4 Å²	61.4	22%	0.224	32%	0.317	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.3	2.1	177.2	-55.4	0	0	0	0	113.2	F365 D367 V394 F396 F437	F365-V369 WeakPolarHBondContact O-CG2 3.41Å; F365-V369 PolarHBondContact O-N 2.84Å; D367-V369 PolarHBondContact O-N 2.82Å; V369-V394 WeakPolarHBondContact CB-O 3.43Å; V369-F396 HydrophobicContact CG1-CD2 4.07Å; V369-F396 HydrophobicContact CG1-CE2 3.87Å; V369-F437 HydrophobicContact CG1-CD1 4.22Å; V369-F437 HydrophobicContact CG2-CD1 3.89Å; V369-F437 HydrophobicContact CG2-CE1 4.27Å
370	A	93.1	Very high	91.7	Very high	47 Å²	47	56.7 Å²	56.7	39%	0.388	30%	0.296	S	S	.	.	S	Bend	trans	-63.1	140.5	178.6	0	0	0	0	0	110	K366 D367 E372	K366-A370 WeakPolarHBondContact O-CB 3.24Å; K366-A370 PolarHBondContact O-N 2.89Å; D367-A370 VanDerWaalsContact O-CB 3.23Å; D367-A370 WeakPolarHBondContact O-CB 3.38Å; D367-A370 PolarHBondContact O-N 3.16Å; D367-A370 VanDerWaalsContact O-N 3.16Å; A370-E372 PolarHBondContact O-N 3.39Å
371	T	91.3	Very high	91.5	Very high	67 Å²	67	59.8 Å²	59.8	41%	0.411	31%	0.312	S	S	.	.	P	Polyproline II helix	trans	-75	118.2	176.6	48.3	0	0	0	0	110.2	Y332 K392	Y332-T371 WeakPolarHBondContact OH-CG2 3.25Å; T371-K392 CarbonylContact C-O 3.53Å; T371-K392 WeakPolarHBondContact CA-O 3.47Å
372	E	89.8	Confident	91.2	Very high	106 Å²	106	59.8 Å²	59.8	50%	0.495	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	133.9	169.6	-63.5	179.1	156.7	0	0	109.5	A370 K392	A370-E372 PolarHBondContact O-N 3.39Å; E372-K392 HydrophobicContact CB-CB 4.43Å; E372-K392 PolarHBondContact N-O 2.91Å; E372-K392 PolarHBondContact O-N 2.7Å; E372-K392 IonicContact OE2-NZ 2.8Å; E372-K392 PolarHBondContact OE2-NZ 3.37Å
373	Q	90.6	Very high	90.9	Very high	77 Å²	77	59.6 Å²	59.6	36%	0.36	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	119.3	176.3	-64.6	-66.5	-21.6	0	0	108.6	D375 E391	Q373-D375 PolarHBondContact O-N 3.25Å; Q373-E391 PolarHBondContact NE2-OE1 2.83Å
374	L	89.4	Confident	90.5	Very high	29 Å²	29	65.2 Å²	65.2	15%	0.152	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	79.3	174.3	-61.9	-176	0	0	0	108.4	I333 N378 E389 A390 K392	I333-L374 HydrophobicContact CG2-CD1 4.28Å; L374-N378 WeakPolarHBondContact CB-O 3.41Å; L374-E389 WeakPolarHBondContact O-CA 3.18Å; L374-A390 WeakPolarHBondContact CA-O 3.43Å; L374-A390 HydrophobicContact CB-CB 4.36Å; L374-A390 VanDerWaalsContact CB-O 3.31Å; L374-A390 WeakPolarHBondContact CB-O 3.25Å; L374-A390 HydrophobicContact CD1-CB 4.37Å; L374-A390 PolarHBondContact N-O 3.2Å; L374-A390 PolarHBondContact O-N 2.86Å; L374-K392 HydrophobicContact CD1-CB 3.84Å; L374-K392 HydrophobicContact CD1-CD 4.48Å; L374-K392 HydrophobicContact CD2-CB 4.46Å; L374-K392 HydrophobicContact CG-CB 4.01Å
375	D	86.2	Confident	90	Very high	88 Å²	88	69.1 Å²	69.1	47%	0.471	37%	0.371	S	S	.	.			trans	-115.2	179.7	178.7	65.4	5	0	0	0	112.2	Q373 D377 N378	Q373-D375 PolarHBondContact O-N 3.25Å; D375-D377 PolarHBondContact O-N 2.73Å; D375-D377 VanDerWaalsContact O-N 3.08Å; D375-N378 PolarHBondContact O-N 3.08Å
376	G	89.1	Confident	89.7	Confident	41 Å²	41	70.4 Å²	70.4	42%	0.423	38%	0.384	S	S	.	.	G	3₁₀ helix	trans	53.2	-115.8	179.6	0	0	0	0	0	112.9	K379	G376-K379 VanDerWaalsContact O-CE 3.25Å; G376-K379 WeakPolarHBondContact O-CE 3.24Å; G376-K379 WeakPolarHBondContact O-CG 3.34Å
377	D	85.8	Confident	89.6	Confident	55 Å²	55	68.4 Å²	68.4	29%	0.294	38%	0.379	S	S	.	.	G	3₁₀ helix	trans	-88.6	-15.3	-175.1	-62.8	-36	0	0	0	113.2	D375 K379 K1005 E1006	D375-D377 PolarHBondContact O-N 2.73Å; D375-D377 VanDerWaalsContact O-N 3.08Å; D377-K379 PolarHBondContact O-N 2.67Å; D377-K1005 HydrophobicContact CB-CB 3.82Å; D377-K1005 HydrophobicContact CB-CD 4.01Å; D377-K1005 HydrophobicContact CB-CG 4.27Å; D377-K1005 VanDerWaalsContact CG-C 3.47Å; D377-K1005 PolarHBondContact O-NZ 3Å; D377-K1005 WeakPolarHBondContact OD1-CA 3.09Å; D377-K1005 WeakPolarHBondContact OD1-CB 3.42Å; D377-K1005 WeakPolarHBondContact OD1-CG 3.38Å; D377-E1006 HydrophobicContact CB-CG 3.59Å; D377-E1006 WeakPolarHBondContact OD2-CA 3.49Å; D377-E1006 WeakPolarHBondContact OD2-CG 3.3Å; D377-E1006 PolarHBondContact OD2-N 3.13Å
378	N	87.2	Confident	89.4	Confident	107 Å²	107	67 Å²	67	57%	0.572	37%	0.37	S	S	*	.	G	3₁₀ helix	trans	-92.2	17	178.3	-65.9	-45.9	0	0	0	113.9	L374 D375	L374-N378 WeakPolarHBondContact CB-O 3.41Å; D375-N378 PolarHBondContact O-N 3.08Å
379	K	88.6	Confident	89.4	Confident	68 Å²	68	66.3 Å²	66.3	30%	0.296	37%	0.369	S	S	.	.			trans	-53.1	140.6	175.7	-72.4	-179	-158.9	-142.3	0	112.3	G376 D377 L387 Q388 E389	G376-K379 VanDerWaalsContact O-CE 3.25Å; G376-K379 WeakPolarHBondContact O-CE 3.24Å; G376-K379 WeakPolarHBondContact O-CG 3.34Å; D377-K379 PolarHBondContact O-N 2.67Å; K379-L387 HydrophobicContact CB-CB 4.12Å; K379-L387 WeakPolarHBondContact O-CD2 3.16Å; K379-Q388 CarbonylContact C-O 3.51Å; K379-Q388 WeakPolarHBondContact CB-O 3.38Å; K379-E389 HydrophobicContact CD-CG 4.03Å; K379-E389 HydrophobicContact CG-CG 4Å; K379-E389 IonicContact NZ-OE1 2.68Å; K379-E389 PolarHBondContact NZ-OE1 3.46Å
380	Y	89.4	Confident	89.3	Confident	44 Å²	44	64.5 Å²	64.5	17%	0.173	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	131.7	-178.7	177.3	-114.1	0	0	0	111.9	I333 Y340 S342 A382 L387 Q388 A390	I333-Y380 HydrophobicContact CB-CE1 4.42Å; I333-Y380 HydrophobicContact CB-CE2 4.4Å; I333-Y380 HydrophobicContact CD1-CD2 3.64Å; I333-Y380 HydrophobicContact CD1-CE2 3.34Å; I333-Y380 HydrophobicContact CD1-CG 4.49Å; I333-Y380 HydrophobicContact CG1-CE2 4.45Å; I333-Y380 HydrophobicContact CG2-CD1 3.6Å; I333-Y380 HydrophobicContact CG2-CD2 3.81Å; I333-Y380 HydrophobicContact CG2-CE1 3.85Å; I333-Y380 HydrophobicContact CG2-CE2 4.08Å; I333-Y380 HydrophobicContact CG2-CG 3.56Å; Y340-Y380 HydrophobicContact CD1-CE1 4.07Å; Y340-Y380 AromaticContact CE1-CE1 3.73Å; Y340-Y380 HydrophobicContact CE1-CE1 3.73Å; S342-Y380 VanDerWaalsContact CB-OH 3.31Å; S342-Y380 WeakPolarHBondContact CB-OH 3.37Å; S342-Y380 PolarHBondContact OG-OH 3.43Å; Y380-A382 HydrophobicContact CD1-CB 4.06Å; Y380-A382 HydrophobicContact CE1-CB 4.1Å; Y380-A382 PolarHBondContact O-N 2.96Å; Y380-L387 CarbonylContact O-C 3.07Å; Y380-L387 WeakPolarHBondContact O-CA 3.46Å; Y380-Q388 PolarHBondContact N-O 3.43Å; Y380-Q388 PolarHBondContact O-N 2.92Å; Y380-A390 HydrophobicContact CD1-CB 4.42Å; Y380-A390 HydrophobicContact CG-CB 4.35Å
381	D	90.6	Very high	89.3	Confident	101 Å²	101	65.4 Å²	65.4	54%	0.54	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	99.6	171.8	-174.6	5.3	0	0	0	110.3	G383 L387	D381-G383 PolarHBondContact O-N 2.9Å; D381-G383 PolarHBondContact OD1-N 3.14Å; D381-G383 VanDerWaalsContact OD1-N 3.1Å; D381-L387 HydrophobicContact CB-CD2 4.06Å
382	A	88.3	Confident	89.3	Confident	1 Å²	1	65.3 Å²	65.3	1%	0.008	35%	0.348	C	S	.	.			trans	-82.4	18.3	179.4	0	0	0	0	0	113	Y340 Y380 E384 H385 G386 Q388	Y340-A382 HydrophobicContact CD1-CB 3.86Å; Y340-A382 HydrophobicContact CE1-CB 4.19Å; Y340-A382 HydrophobicContact CG-CB 4.15Å; Y380-A382 HydrophobicContact CD1-CB 4.06Å; Y380-A382 HydrophobicContact CE1-CB 4.1Å; Y380-A382 PolarHBondContact O-N 2.96Å; A382-E384 PolarHBondContact O-N 2.99Å; A382-H385 HydrophobicContact CB-CB 4.02Å; A382-G386 PolarHBondContact N-O 2.78Å; A382-Q388 HydrophobicContact CB-CB 4.48Å; A382-Q388 HydrophobicContact CB-CG 4.16Å
383	G	89.3	Confident	89.4	Confident	53 Å²	53	60.4 Å²	60.4	55%	0.546	33%	0.326	S	S	.	.	G	3₁₀ helix	trans	69.6	-100.8	177.6	0	0	0	0	0	111.8	D381 H385 G386	D381-G383 PolarHBondContact O-N 2.9Å; D381-G383 PolarHBondContact OD1-N 3.14Å; D381-G383 VanDerWaalsContact OD1-N 3.1Å; G383-H385 PolarHBondContact O-N 2.89Å; G383-G386 PolarHBondContact O-N 3.16Å; G383-G386 VanDerWaalsContact O-N 3.17Å
384	E	85.9	Confident	89.5	Confident	192 Å²	192	58 Å²	58	90%	0.897	32%	0.317	S	S	*	.	G	3₁₀ helix	trans	-64.1	-25.1	-178.6	-64	-171.3	173.2	0	0	113	A382	A382-E384 PolarHBondContact O-N 2.99Å
385	H	84.9	Confident	89.5	Confident	82 Å²	82	60.7 Å²	60.7	38%	0.38	33%	0.327	S	S	.	.	G	3₁₀ helix	trans	-96.2	3.2	179.4	-57.7	-65.9	0	0	0	113.9	V338 A382 G383 Q388	V338-H385 HydrophobicContact CG1-CB 4.34Å; A382-H385 HydrophobicContact CB-CB 4.02Å; G383-H385 PolarHBondContact O-N 2.89Å; H385-Q388 HydrophobicContact CB-CG 4.18Å; H385-Q388 PolarHBondContact O-NE2 2.96Å
386	G	89.8	Confident	90	Very high	27 Å²	27	56.5 Å²	56.5	28%	0.278	30%	0.304	S	S	.	.			trans	60.9	-154.3	-178.3	0	0	0	0	0	113.7	A382 G383 Q388	A382-G386 PolarHBondContact N-O 2.78Å; G383-G386 PolarHBondContact O-N 3.16Å; G383-G386 VanDerWaalsContact O-N 3.17Å; G386-Q388 PolarHBondContact O-N 3.26Å
387	L	91.4	Very high	90.2	Very high	77 Å²	77	57.1 Å²	57.1	40%	0.403	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	111.7	-178.9	-67.2	172.2	0	0	0	111.5	K379 Y380 D381	K379-L387 HydrophobicContact CB-CB 4.12Å; K379-L387 WeakPolarHBondContact O-CD2 3.16Å; Y380-L387 CarbonylContact O-C 3.07Å; Y380-L387 WeakPolarHBondContact O-CA 3.46Å; D381-L387 HydrophobicContact CB-CD2 4.06Å
388	Q	90.4	Very high	90.6	Very high	39 Å²	39	57.7 Å²	57.7	18%	0.182	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	146.1	-178.6	-67.2	-59.8	-35.7	0	0	111.4	C335 V338 K379 Y380 A382 H385 G386 A390	C335-Q388 HydrophobicContact CB-CB 4.31Å; V338-Q388 HydrophobicContact CG2-CG 4.29Å; K379-Q388 CarbonylContact C-O 3.51Å; K379-Q388 WeakPolarHBondContact CB-O 3.38Å; Y380-Q388 PolarHBondContact N-O 3.43Å; Y380-Q388 PolarHBondContact O-N 2.92Å; A382-Q388 HydrophobicContact CB-CB 4.48Å; A382-Q388 HydrophobicContact CB-CG 4.16Å; H385-Q388 HydrophobicContact CB-CG 4.18Å; H385-Q388 PolarHBondContact O-NE2 2.96Å; G386-Q388 PolarHBondContact O-N 3.26Å; Q388-A390 PolarHBondContact O-N 3.22Å
389	E	91.9	Very high	91	Very high	54 Å²	54	52.9 Å²	52.9	25%	0.252	28%	0.277	S	S	.	.			trans	-67.7	128.6	164.6	-73.7	164.9	-158.5	0	0	109	K336 H337 L374 K379	K336-E389 HydrophobicContact CD-CB 4.46Å; K336-E389 PolarHBondContact N-O 2.86Å; H337-E389 IonicContact CD2-OE2 3.9Å; H337-E389 IonicContact CE1-OE2 3.87Å; H337-E389 IonicContact NE2-OE2 3.83Å; H337-E389 PolarHBondContact NE2-OE2 2.86Å; L374-E389 WeakPolarHBondContact O-CA 3.18Å; K379-E389 HydrophobicContact CD-CG 4.03Å; K379-E389 HydrophobicContact CG-CG 4Å; K379-E389 IonicContact NZ-OE1 2.68Å; K379-E389 PolarHBondContact NZ-OE1 3.46Å
390	A	92.6	Very high	91.4	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	162.4	-174.6	0	0	0	0	0	111.3	I333 Q334 L374 Y380 Q388	I333-A390 HydrophobicContact CG2-CB 3.65Å; Q334-A390 CarbonylContact O-C 3.53Å; Q334-A390 WeakPolarHBondContact O-CA 3.49Å; Q334-A390 WeakPolarHBondContact O-CB 3.37Å; L374-A390 WeakPolarHBondContact CA-O 3.43Å; L374-A390 HydrophobicContact CB-CB 4.36Å; L374-A390 VanDerWaalsContact CB-O 3.31Å; L374-A390 WeakPolarHBondContact CB-O 3.25Å; L374-A390 HydrophobicContact CD1-CB 4.37Å; L374-A390 PolarHBondContact N-O 3.2Å; L374-A390 PolarHBondContact O-N 2.86Å; Y380-A390 HydrophobicContact CD1-CB 4.42Å; Y380-A390 HydrophobicContact CG-CB 4.35Å; Q388-A390 PolarHBondContact O-N 3.22Å
391	E	92.1	Very high	91.7	Very high	65 Å²	65	49 Å²	49	30%	0.304	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	120.9	170.8	-57.3	-168.5	150.8	0	0	107.6	I333 Q334 K336 Q373	I333-E391 CarbonylContact C-O 3.58Å; I333-E391 WeakPolarHBondContact CA-O 3.45Å; Q334-E391 PolarHBondContact N-O 3.14Å; Q334-E391 PolarHBondContact O-N 2.83Å; K336-E391 WeakPolarHBondContact CE-OE1 3.18Å; K336-E391 HydrophobicContact CG-CG 4.25Å; Q373-E391 PolarHBondContact NE2-OE1 2.83Å
392	K	92.5	Very high	92	Very high	66 Å²	66	44.2 Å²	44.2	29%	0.287	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	129.9	173.6	175.4	178	161.6	-120.7	0	108.2	Y332 I333 T371 E372 L374	Y332-K392 WeakPolarHBondContact O-CA 3.46Å; I333-K392 HydrophobicContact CG1-CB 4.19Å; I333-K392 HydrophobicContact CG1-CG 4.11Å; T371-K392 CarbonylContact C-O 3.53Å; T371-K392 WeakPolarHBondContact CA-O 3.47Å; E372-K392 HydrophobicContact CB-CB 4.43Å; E372-K392 PolarHBondContact N-O 2.91Å; E372-K392 PolarHBondContact O-N 2.7Å; E372-K392 IonicContact OE2-NZ 2.8Å; E372-K392 PolarHBondContact OE2-NZ 3.37Å; L374-K392 HydrophobicContact CD1-CB 3.84Å; L374-K392 HydrophobicContact CD1-CD 4.48Å; L374-K392 HydrophobicContact CD2-CB 4.46Å; L374-K392 HydrophobicContact CG-CB 4.01Å
393	G	90.7	Very high	92.4	Very high	2 Å²	2	44.2 Å²	44.2	2%	0.021	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	160.5	176	0	0	0	0	0	111.5	S331 Y332	S331-G393 WeakPolarHBondContact CA-O 3.45Å; Y332-G393 VanDerWaalsContact CD1-O 3.23Å; Y332-G393 WeakPolarHBondContact CD1-O 3.28Å; Y332-G393 VanDerWaalsContact CE1-C 3.5Å; Y332-G393 PolarHBondContact N-O 3.22Å; Y332-G393 PolarHBondContact O-N 3.01Å
394	V	93.1	Very high	92.8	Very high	28 Å²	28	41.9 Å²	41.9	17%	0.17	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	135	175.3	-176	0	0	0	0	108.6	M329 V330 Y368 V369	M329-V394 HydrophobicContact CB-CG1 4.28Å; M329-V394 HydrophobicContact CG-CG1 4.48Å; M329-V394 HydrophobicContact SD-CG1 4.04Å; V330-V394 WeakPolarHBondContact O-CA 3.08Å; Y368-V394 HydrophobicContact CE1-CB 4.41Å; Y368-V394 HydrophobicContact CE1-CG1 3.87Å; V369-V394 WeakPolarHBondContact CB-O 3.43Å
395	K	90.7	Very high	93.3	Very high	84 Å²	84	32.7 Å²	32.7	37%	0.365	17%	0.171	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	144.3	174	-69.9	179.9	-179.3	-179.6	0	110.5	M329 V330 Y332	M329-K395 CarbonylContact C-O 3.54Å; M329-K395 WeakPolarHBondContact CA-O 3.44Å; V330-K395 HydrophobicContact CG1-CB 3.89Å; V330-K395 PolarHBondContact N-O 2.98Å; V330-K395 PolarHBondContact O-N 2.77Å; Y332-K395 HydrophobicContact CD1-CD 4.45Å; Y332-K395 HydrophobicContact CD1-CG 4.44Å; Y332-K395 HydrophobicContact CE1-CD 3.98Å; Y332-K395 HydrophobicContact CE1-CG 3.97Å
396	F	94.9	Very high	93.7	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	130.8	175.4	-64.3	-78.8	0	0	0	110.4	M329 Y348 I351 F365 Y368 V369 F399 F437 L438 Q439	M329-F396 HydrophobicContact CB-CD1 4.06Å; M329-F396 HydrophobicContact CB-CE1 4.37Å; Y348-F396 AromaticContact CE1-CD1 3.75Å; Y348-F396 HydrophobicContact CE1-CD1 3.75Å; Y348-F396 AromaticContact CE1-CE1 3.97Å; Y348-F396 HydrophobicContact CE1-CE1 3.97Å; Y348-F396 AromaticContact CZ-CD1 3.85Å; Y348-F396 AromaticContact CZ-CE1 3.97Å; I351-F396 HydrophobicContact CD1-CE1 3.64Å; I351-F396 HydrophobicContact CD1-CZ 3.8Å; I351-F396 HydrophobicContact CG1-CE1 4.33Å; I351-F396 HydrophobicContact CG2-CZ 4.43Å; F365-F396 HydrophobicContact CD1-CE2 4.19Å; F365-F396 HydrophobicContact CE1-CE2 4.21Å; F365-F396 HydrophobicContact CE1-CZ 4.4Å; Y368-F396 AromaticContact CD1-CE2 3.82Å; Y368-F396 HydrophobicContact CD1-CE2 3.82Å; Y368-F396 AromaticContact CD1-CZ 3.6Å; Y368-F396 HydrophobicContact CD1-CZ 3.6Å; Y368-F396 HydrophobicContact CE1-CE1 4.19Å; Y368-F396 HydrophobicContact CE1-CE2 4.06Å; Y368-F396 AromaticContact CE1-CZ 3.42Å; Y368-F396 HydrophobicContact CE1-CZ 3.42Å; Y368-F396 VanDerWaalsContact CE1-CZ 3.42Å; V369-F396 HydrophobicContact CG1-CD2 4.07Å; V369-F396 HydrophobicContact CG1-CE2 3.87Å; F396-F399 HydrophobicContact CB-CE1 4.04Å; F396-F399 HydrophobicContact CB-CE2 4.03Å; F396-F399 HydrophobicContact CB-CZ 3.66Å; F396-F399 HydrophobicContact CD1-CD1 4.37Å; F396-F399 AromaticContact CD1-CE1 3.64Å; F396-F399 HydrophobicContact CD1-CE1 3.64Å; F396-F399 HydrophobicContact CD1-CZ 4.04Å; F396-F399 AromaticContact CD2-CE1 3.92Å; F396-F399 HydrophobicContact CD2-CE1 3.92Å; F396-F399 AromaticContact CD2-CZ 3.54Å; F396-F399 HydrophobicContact CD2-CZ 3.54Å; F396-F399 HydrophobicContact CE1-CE1 4.02Å; F396-F399 HydrophobicContact CE2-CE1 4.27Å; F396-F399 HydrophobicContact CE2-CZ 4.17Å; F396-F399 AromaticContact CG-CE1 3.57Å; F396-F399 HydrophobicContact CG-CE1 3.57Å; F396-F399 HydrophobicContact CG-CE2 4.32Å; F396-F399 AromaticContact CG-CZ 3.45Å; F396-F399 HydrophobicContact CG-CZ 3.45Å; F396-F399 VanDerWaalsContact CG-CZ 3.45Å; F396-F399 HydrophobicContact CZ-CE1 4.31Å; F396-F437 HydrophobicContact CD2-CB 4.18Å; F396-L438 HydrophobicContact CB-CD2 4.09Å; F396-L438 WeakPolarHBondContact O-CA 3.47Å; F396-Q439 PolarHBondContact O-N 3.12Å
397	L	93.6	Very high	94	Very high	55 Å²	55	28 Å²	28	29%	0.288	14%	0.141	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	-43.9	172.5	-63.8	178.4	0	0	0	110.5	K328 V330 I345 Q439	K328-L397 HydrophobicContact CB-CB 4.09Å; K328-L397 HydrophobicContact CB-CD1 4.36Å; K328-L397 WeakPolarHBondContact O-CB 3.35Å; K328-L397 PolarHBondContact O-N 2.5Å; V330-L397 HydrophobicContact CB-CD1 4.29Å; V330-L397 HydrophobicContact CB-CD2 4.44Å; V330-L397 HydrophobicContact CB-CG 4.28Å; V330-L397 HydrophobicContact CG1-CD2 4.03Å; V330-L397 HydrophobicContact CG1-CG 4.26Å; I345-L397 HydrophobicContact CD1-CD1 4.17Å; I345-L397 HydrophobicContact CG1-CD1 4.15Å; I345-L397 HydrophobicContact CG2-CD1 4.02Å; L397-Q439 HydrophobicContact CD2-CB 4.32Å
398	T	94.5	Very high	94	Very high	67 Å²	67	27.8 Å²	27.8	41%	0.411	14%	0.139	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	140	-179.3	57	0	0	0	0	109.8	K328 Y348	K328-T398 WeakPolarHBondContact CB-OG1 3.39Å; K328-T398 PolarHBondContact N-O 3.42Å; K328-T398 VanDerWaalsContact N-O 3.17Å; K328-T398 PolarHBondContact N-OG1 2.92Å; K328-T398 VanDerWaalsContact N-OG1 3.12Å; K328-T398 PolarHBondContact O-N 2.98Å; K328-T398 VanDerWaalsContact O-N 3.1Å; Y348-T398 PolarHBondContact OH-O 2.81Å
399	F	96.1	Very high	94	Very high	6 Å²	6	25.9 Å²	25.9	3%	0.026	13%	0.131	C	C	.	.			trans	-100.7	138.2	166.5	-69.5	-69	0	0	0	110.3	Y348 I351 F365 F396 L403 L434 F437 L438 A447 Y449 R528	Y348-F399 WeakPolarHBondContact OH-CD1 3.35Å; I351-F399 HydrophobicContact CD1-CD1 4.38Å; I351-F399 HydrophobicContact CD1-CE1 3.93Å; F365-F399 HydrophobicContact CE1-CE1 4.23Å; F365-F399 HydrophobicContact CE1-CZ 4.32Å; F396-F399 HydrophobicContact CB-CE1 4.04Å; F396-F399 HydrophobicContact CB-CE2 4.03Å; F396-F399 HydrophobicContact CB-CZ 3.66Å; F396-F399 HydrophobicContact CD1-CD1 4.37Å; F396-F399 AromaticContact CD1-CE1 3.64Å; F396-F399 HydrophobicContact CD1-CE1 3.64Å; F396-F399 HydrophobicContact CD1-CZ 4.04Å; F396-F399 AromaticContact CD2-CE1 3.92Å; F396-F399 HydrophobicContact CD2-CE1 3.92Å; F396-F399 AromaticContact CD2-CZ 3.54Å; F396-F399 HydrophobicContact CD2-CZ 3.54Å; F396-F399 HydrophobicContact CE1-CE1 4.02Å; F396-F399 HydrophobicContact CE2-CE1 4.27Å; F396-F399 HydrophobicContact CE2-CZ 4.17Å; F396-F399 AromaticContact CG-CE1 3.57Å; F396-F399 HydrophobicContact CG-CE1 3.57Å; F396-F399 HydrophobicContact CG-CE2 4.32Å; F396-F399 AromaticContact CG-CZ 3.45Å; F396-F399 HydrophobicContact CG-CZ 3.45Å; F396-F399 VanDerWaalsContact CG-CZ 3.45Å; F396-F399 HydrophobicContact CZ-CE1 4.31Å; F399-L403 HydrophobicContact CD1-CD1 4.27Å; F399-L434 HydrophobicContact CD1-CD1 4.42Å; F399-L434 HydrophobicContact CD2-CB 4.14Å; F399-L434 HydrophobicContact CE1-CD1 4.29Å; F399-L434 HydrophobicContact CE2-CB 3.73Å; F399-L434 HydrophobicContact CE2-CD1 4.37Å; F399-L434 HydrophobicContact CZ-CB 4.21Å; F399-L434 HydrophobicContact CZ-CD1 4.27Å; F399-F437 HydrophobicContact CE2-CB 4.41Å; F399-F437 HydrophobicContact CZ-CB 4.2Å; F399-L438 HydrophobicContact CD2-CD1 4.21Å; F399-L438 HydrophobicContact CD2-CD2 3.49Å; F399-L438 VanDerWaalsContact CD2-CD2 3.49Å; F399-L438 HydrophobicContact CD2-CG 3.75Å; F399-L438 HydrophobicContact CE2-CD2 3.66Å; F399-L438 HydrophobicContact CE2-CG 3.73Å; F399-L438 HydrophobicContact CG-CD2 4.39Å; F399-A447 HydrophobicContact CD2-CB 4.3Å; F399-Y449 HydrophobicContact CB-CE2 4.09Å; F399-Y449 WeakPolarHBondContact CB-OH 3.34Å; F399-R528 PolarHBondContact O-NH1 2.77Å
400	P	96.3	Very high	93.8	Very high	3 Å²	3	25.4 Å²	25.4	2%	0.019	13%	0.128	C	C	.	.			trans	-71.7	161.5	-178.4	30	-36.5	0	0	0	112.7	F325 I402 L403 Y449	F325-P400 VanDerWaalsContact C-CB 3.48Å; F325-P400 WeakPolarHBondContact O-CB 3.35Å; F325-P400 WeakPolarHBondContact O-CG 3.47Å; P400-I402 WeakPolarHBondContact CG-O 3.29Å; P400-I402 PolarHBondContact O-N 3.06Å; P400-L403 HydrophobicContact CG-CD1 4.04Å; P400-Y449 WeakPolarHBondContact O-CE1 3.49Å; P400-Y449 PolarHBondContact O-OH 3.01Å
401	P	96.2	Very high	93.2	Very high	27 Å²	27	27.9 Å²	27.9	18%	0.175	14%	0.14	C	C	.	.	S	Bend	trans	-54.2	-37.7	171.7	-27.6	35.5	0	0	0	113.8	K323 L324 I527 R528 K531 V535	K323-P401 WeakPolarHBondContact O-CD 3.4Å; K323-P401 WeakPolarHBondContact O-CG 3.38Å; L324-P401 WeakPolarHBondContact O-CD 3.28Å; P401-I527 WeakPolarHBondContact O-CA 3.4Å; P401-R528 PolarHBondContact O-N 2.97Å; P401-K531 HydrophobicContact CB-CB 4.13Å; P401-K531 HydrophobicContact CB-CG 4.24Å; P401-K531 HydrophobicContact CG-CG 4.43Å; P401-V535 HydrophobicContact CB-CG2 4.19Å
402	I	96.7	Very high	92.5	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	122.3	177.3	-51.3	175.4	0	0	0	108.5	T236 L324 F325 P400 V525 Y526 V535	T236-I402 HydrophobicContact CG2-CD1 3.22Å; L324-I402 HydrophobicContact CB-CD1 4.17Å; L324-I402 HydrophobicContact CD1-CD1 4.47Å; L324-I402 HydrophobicContact CD2-CD1 4.13Å; L324-I402 PolarHBondContact O-N 2.94Å; F325-I402 HydrophobicContact CD1-CB 3.91Å; F325-I402 HydrophobicContact CD1-CG2 4.02Å; F325-I402 HydrophobicContact CE1-CB 3.82Å; F325-I402 HydrophobicContact CE1-CD1 3.88Å; F325-I402 HydrophobicContact CE1-CG1 4.47Å; F325-I402 HydrophobicContact CE1-CG2 3.63Å; F325-I402 HydrophobicContact CZ-CD1 3.94Å; P400-I402 WeakPolarHBondContact CG-O 3.29Å; P400-I402 PolarHBondContact O-N 3.06Å; I402-V525 HydrophobicContact CG2-CG1 3.73Å; I402-Y526 WeakPolarHBondContact CA-O 3.34Å; I402-V535 HydrophobicContact CD1-CG1 3.74Å; I402-V535 HydrophobicContact CG1-CG1 4Å; I402-V535 HydrophobicContact CG1-CG2 4.29Å
403	L	96.8	Very high	91.7	Very high	1 Å²	1	28.5 Å²	28.5	1%	0.005	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	114.9	-175.7	-173.5	67.1	0	0	0	110	Y348 I351 F399 P400 L405 L434 Y449 V525 Y526	Y348-L403 HydrophobicContact CE2-CD1 4.37Å; I351-L403 HydrophobicContact CD1-CD1 3.77Å; I351-L403 HydrophobicContact CG1-CD1 4.26Å; F399-L403 HydrophobicContact CD1-CD1 4.27Å; P400-L403 HydrophobicContact CG-CD1 4.04Å; L403-L405 HydrophobicContact CD1-CD2 4.23Å; L403-L405 HydrophobicContact CD2-CD1 4.41Å; L403-L405 HydrophobicContact CD2-CD2 3.84Å; L403-L405 HydrophobicContact CD2-CG 4.25Å; L403-L405 HydrophobicContact CG-CD2 3.73Å; L403-L405 HydrophobicContact CG-CG 4.13Å; L403-L434 HydrophobicContact CD2-CD1 3.51Å; L403-Y449 HydrophobicContact CB-CD1 4.07Å; L403-Y449 HydrophobicContact CB-CE1 3.82Å; L403-Y449 HydrophobicContact CD2-CD1 4.49Å; L403-Y449 HydrophobicContact CD2-CE1 4.47Å; L403-V525 WeakPolarHBondContact O-CA 3.37Å; L403-Y526 PolarHBondContact N-O 3.49Å; L403-Y526 PolarHBondContact O-N 3.09Å
404	H	96.9	Very high	91	Very high	4 Å²	4	33.1 Å²	33.1	2%	0.019	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	117.2	172.4	-74.2	-173.7	0	0	0	109.7	F325 D350 I351 M523	F325-H404 AromaticContact CD1-CE1 3.93Å; F325-H404 AromaticContact CD1-NE2 3.92Å; F325-H404 AromaticContact CE1-CE1 3.6Å; F325-H404 AromaticContact CE1-NE2 3.43Å; F325-H404 WeakPolarHBondContact CE1-NE2 3.4Å; D350-H404 CarbonylContact C-O 3.49Å; D350-H404 WeakPolarHBondContact CA-O 3.32Å; D350-H404 HydrophobicContact CB-CB 4.04Å; I351-H404 PolarHBondContact N-O 3.27Å; H404-M523 HydrophobicContact CB-CE 3.68Å; H404-M523 VanDerWaalsContact CG-CE 3.49Å; H404-M523 WeakPolarHBondContact ND1-CE 3.34Å
405	L	96.6	Very high	90.3	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	114.4	176.4	-56.3	-179.3	0	0	0	109.1	I351 L353 I361 F365 L403 L432 M523 L524 Y526	I351-L405 HydrophobicContact CB-CD2 3.81Å; I351-L405 HydrophobicContact CD1-CD2 4.21Å; I351-L405 HydrophobicContact CG1-CD2 4.34Å; I351-L405 HydrophobicContact CG2-CD2 4.49Å; I351-L405 WeakPolarHBondContact O-CA 3.18Å; L353-L405 HydrophobicContact CD1-CB 4.26Å; L353-L405 HydrophobicContact CD1-CD1 4.13Å; L353-L405 HydrophobicContact CD1-CD2 4.34Å; L353-L405 HydrophobicContact CD1-CG 4.49Å; I361-L405 HydrophobicContact CD1-CD1 4.29Å; F365-L405 HydrophobicContact CE2-CD1 4.09Å; F365-L405 HydrophobicContact CE2-CD2 4.27Å; F365-L405 HydrophobicContact CZ-CD1 4.39Å; F365-L405 HydrophobicContact CZ-CD2 3.86Å; L403-L405 HydrophobicContact CD1-CD2 4.23Å; L403-L405 HydrophobicContact CD2-CD1 4.41Å; L403-L405 HydrophobicContact CD2-CD2 3.84Å; L403-L405 HydrophobicContact CD2-CG 4.25Å; L403-L405 HydrophobicContact CG-CD2 3.73Å; L403-L405 HydrophobicContact CG-CG 4.13Å; L405-L432 HydrophobicContact CD1-CD2 4Å; L405-M523 WeakPolarHBondContact O-CA 3.43Å; L405-L524 HydrophobicContact CB-CB 4.33Å; L405-L524 PolarHBondContact N-O 3.4Å; L405-L524 PolarHBondContact O-N 3.44Å; L405-Y526 HydrophobicContact CD1-CD2 3.82Å; L405-Y526 HydrophobicContact CD1-CE2 3.77Å; L405-Y526 HydrophobicContact CG-CD2 4.38Å
406	Q	94.8	Very high	89.4	Confident	9 Å²	9	39.8 Å²	39.8	4%	0.042	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	123.2	172.7	-176.3	-179.4	11.6	0	0	108.7	Q298 I351 Q352 L353 Y522	Q298-Q406 HydrophobicContact CB-CG 4.38Å; Q298-Q406 VanDerWaalsContact CD-OE1 3.31Å; Q298-Q406 HydrophobicContact CG-CG 4.46Å; Q298-Q406 VanDerWaalsContact CG-OE1 3.23Å; I351-Q406 PolarHBondContact O-N 2.77Å; Q352-Q406 HydrophobicContact CG-CB 4.41Å; L353-Q406 PolarHBondContact N-O 2.93Å; Q406-Y522 PolarHBondContact NE2-OH 3.39Å
407	L	94.9	Very high	88.6	Confident	0 Å²	0	45.6 Å²	45.6	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	119.8	174.8	-55.6	-175.9	0	0	0	108.1	L353 I355 R409 F426 A521 Y522 L524	L353-L407 HydrophobicContact CB-CD2 4.28Å; L353-L407 HydrophobicContact CD1-CD2 4.3Å; I355-L407 HydrophobicContact CG2-CB 4.05Å; L407-R409 HydrophobicContact CB-CG 4.45Å; L407-R409 PolarHBondContact O-N 3.46Å; L407-F426 HydrophobicContact CD1-CD1 3.91Å; L407-F426 HydrophobicContact CD1-CE1 4.05Å; L407-F426 HydrophobicContact CD2-CD1 4.21Å; L407-F426 HydrophobicContact CD2-CE1 3.54Å; L407-F426 HydrophobicContact CD2-CZ 4.21Å; L407-F426 HydrophobicContact CG-CE1 4.43Å; L407-A521 HydrophobicContact CD1-CB 4.24Å; L407-A521 WeakPolarHBondContact CD1-O 3.49Å; L407-Y522 WeakPolarHBondContact CB-O 3.29Å; L407-Y522 PolarHBondContact N-O 3.42Å; L407-L524 HydrophobicContact CD1-CD1 4.12Å; L407-L524 HydrophobicContact CD1-CG 4.32Å; L407-L524 HydrophobicContact CD2-CD1 4.36Å; L407-L524 HydrophobicContact CG-CD1 4.49Å
408	M	92.2	Very high	87.7	Confident	73 Å²	73	47.2 Å²	47.2	36%	0.36	24%	0.243	S	C	.	.			trans	-73.1	66.7	-176.1	-64.9	-62	-68.3	0	0	111.8	Q352 L353 I355 F410	Q352-M408 HydrophobicContact CB-CG 4.27Å; Q352-M408 HydrophobicContact CB-SD 4.01Å; Q352-M408 HydrophobicContact CG-SD 4.18Å; L353-M408 WeakPolarHBondContact O-CB 3.34Å; L353-M408 WeakPolarHBondContact O-CG 3.46Å; L353-M408 PolarHBondContact O-N 3.04Å; I355-M408 WeakPolarHBondContact CD1-O 3.42Å; I355-M408 WeakPolarHBondContact CG1-O 3.26Å; M408-F410 VanDerWaalsContact C-N 3.28Å; M408-F410 PolarHBondContact O-N 3.39Å
409	R	90.4	Very high	86.9	Confident	0 Å²	0	47.6 Å²	47.6	0%	0	24%	0.243	C	C	.	.			trans	-79.7	-1.8	-179.5	-78.2	-166.2	-177.3	-82.8	5.6	114.6	I355 L407 K421 I422 D424 Y506 N520 A521 Y522	I355-R409 HydrophobicContact CD1-CB 4Å; I355-R409 HydrophobicContact CD1-CG 3.29Å; L407-R409 HydrophobicContact CB-CG 4.45Å; L407-R409 PolarHBondContact O-N 3.46Å; R409-K421 CarbonylContact O-C 3.55Å; R409-K421 VanDerWaalsContact O-CA 3.27Å; R409-K421 WeakPolarHBondContact O-CA 3.45Å; R409-I422 PolarHBondContact NH1-O 3.3Å; R409-I422 PolarHBondContact O-N 3.34Å; R409-D424 PolarHBondContact NH1-O 3.23Å; R409-Y506 PolarHBondContact NH2-O 3.28Å; R409-N520 WeakPolarHBondContact CD-OD1 3.44Å; R409-N520 PolarHBondContact NE-OD1 3.5Å; R409-A521 VanDerWaalsContact CD-O 3.23Å; R409-A521 WeakPolarHBondContact CD-O 3.41Å; R409-A521 PolarHBondContact NE-O 2.94Å; R409-Y522 HydrophobicContact CB-CD2 4.22Å
410	F	86.6	Confident	86.3	Confident	43 Å²	43	50 Å²	50	19%	0.189	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	132.1	173	-61.1	-78.9	0	0	0	109.5	M408 I420 K421 N461 Y522	M408-F410 VanDerWaalsContact C-N 3.28Å; M408-F410 PolarHBondContact O-N 3.39Å; F410-I420 WeakPolarHBondContact CA-O 3.23Å; F410-K421 HydrophobicContact CD1-CB 3.97Å; F410-K421 HydrophobicContact CD1-CG 4.16Å; F410-K421 HydrophobicContact CE1-CB 3.73Å; F410-K421 HydrophobicContact CE1-CD 3.97Å; F410-K421 HydrophobicContact CE1-CG 3.71Å; F410-K421 HydrophobicContact CZ-CD 4.15Å; F410-K421 HydrophobicContact CZ-CG 4.19Å; F410-N461 HydrophobicContact CD1-CB 4.22Å; F410-N461 HydrophobicContact CE1-CB 4.18Å; F410-Y522 HydrophobicContact CD2-CD2 4.31Å; F410-Y522 AromaticContact CD2-CE2 3.52Å; F410-Y522 HydrophobicContact CD2-CE2 3.52Å; F410-Y522 AromaticContact CE2-CD2 3.81Å; F410-Y522 HydrophobicContact CE2-CD2 3.81Å; F410-Y522 AromaticContact CE2-CE2 3.37Å; F410-Y522 HydrophobicContact CE2-CE2 3.37Å
411	M	80.8	Confident	85.9	Confident	52 Å²	52	50.9 Å²	50.9	26%	0.256	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	147.1	174.2	68.6	172.9	-56.2	0	0	110.5	K356 D413 N419 I420 I422	K356-M411 HydrophobicContact CD-CE 4.02Å; K356-M411 HydrophobicContact CD-SD 3.6Å; K356-M411 VanDerWaalsContact CD-SD 3.6Å; K356-M411 PolarHBondContact NZ-SD 3.38Å; M411-D413 PolarHBondContact O-N 3Å; M411-N419 WeakPolarHBondContact O-CA 3.28Å; M411-I420 HydrophobicContact CG-CD1 4.31Å; M411-I420 HydrophobicContact CG-CG1 3.84Å; M411-I420 PolarHBondContact N-O 3.3Å; M411-I420 PolarHBondContact O-N 3.2Å; M411-I422 HydrophobicContact CB-CD1 4.11Å; M411-I422 HydrophobicContact CG-CD1 3.77Å; M411-I422 HydrophobicContact CG-CG1 3.88Å; M411-I422 HydrophobicContact SD-CD1 3.69Å; M411-I422 HydrophobicContact SD-CG1 4.02Å
412	Y	77.9	Confident	85.6	Confident	115 Å²	115	50.2 Å²	50.2	45%	0.451	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	126.8	169.2	176.3	-104	0	0	0	109.2	P414 D417 N419	Y412-P414 HydrophobicContact CD1-CG 4.16Å; Y412-P414 HydrophobicContact CE1-CB 4.23Å; Y412-P414 HydrophobicContact CE1-CG 4.06Å; Y412-P414 WeakPolarHBondContact O-CD 3.37Å; Y412-D417 PolarHBondContact OH-OD1 3.41Å; Y412-N419 WeakPolarHBondContact CA-OD1 3.21Å; Y412-N419 WeakPolarHBondContact CB-OD1 3.45Å
413	D	75.6	Confident	85.2	Confident	29 Å²	29	52.5 Å²	52.5	16%	0.155	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	108.8	174.3	174.8	23.5	0	0	0	110.3	M411 Q415 T416 D417 Q418 I420	M411-D413 PolarHBondContact O-N 3Å; D413-Q415 PolarHBondContact O-N 3.43Å; D413-Q415 VanDerWaalsContact O-N 3.14Å; D413-Q415 PolarHBondContact OD1-N 2.84Å; D413-T416 WeakPolarHBondContact CB-OG1 3.33Å; D413-T416 PolarHBondContact O-N 2.96Å; D413-T416 WeakPolarHBondContact OD2-CG2 3.41Å; D413-T416 PolarHBondContact OD2-N 2.8Å; D413-T416 PolarHBondContact OD2-OG1 3.22Å; D413-D417 PolarHBondContact O-N 3.07Å; D413-Q418 PolarHBondContact N-O 2.83Å; D413-I420 HydrophobicContact CB-CD1 3.84Å; D413-I420 HydrophobicContact CB-CG1 3.96Å; D413-I420 HydrophobicContact CB-CG2 4.06Å
414	P	76.6	Confident	84.9	Confident	99 Å²	99	56.4 Å²	56.4	64%	0.643	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.1	-19.1	179.9	-21.3	33	0	0	0	114.2	Y412	Y412-P414 HydrophobicContact CD1-CG 4.16Å; Y412-P414 HydrophobicContact CE1-CB 4.23Å; Y412-P414 HydrophobicContact CE1-CG 4.06Å; Y412-P414 WeakPolarHBondContact O-CD 3.37Å
415	Q	77.1	Confident	84.8	Confident	182 Å²	182	62.3 Å²	62.3	85%	0.85	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.1	-37.5	178.8	-63.2	-172.7	-1.3	0	0	112.1	D413	D413-Q415 PolarHBondContact O-N 3.43Å; D413-Q415 VanDerWaalsContact O-N 3.14Å; D413-Q415 PolarHBondContact OD1-N 2.84Å
416	T	72.4	Confident	84.7	Confident	70 Å²	70	62.4 Å²	62.4	43%	0.429	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.1	-3.1	-178.2	55.6	0	0	0	0	113.8	D413 Q418	D413-T416 WeakPolarHBondContact CB-OG1 3.33Å; D413-T416 PolarHBondContact O-N 2.96Å; D413-T416 WeakPolarHBondContact OD2-CG2 3.41Å; D413-T416 PolarHBondContact OD2-N 2.8Å; D413-T416 PolarHBondContact OD2-OG1 3.22Å; T416-Q418 PolarHBondContact O-N 2.61Å; T416-Q418 WeakPolarHBondContact OG1-CG 3.37Å
417	D	78.7	Confident	84.8	Confident	123 Å²	123	65 Å²	65	66%	0.658	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	53	34.9	-179	-161.9	23.8	0	0	0	113.1	Y412 D413	Y412-D417 PolarHBondContact OH-OD1 3.41Å; D413-D417 PolarHBondContact O-N 3.07Å
418	Q	74	Confident	84.9	Confident	89 Å²	89	65.1 Å²	65.1	42%	0.416	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	160.6	-179.7	61.2	-179.8	-1.5	0	0	111.5	D413 T416 I420	D413-Q418 PolarHBondContact N-O 2.83Å; T416-Q418 PolarHBondContact O-N 2.61Å; T416-Q418 WeakPolarHBondContact OG1-CG 3.37Å; Q418-I420 HydrophobicContact CG-CG2 4.37Å
419	N	77	Confident	85	Confident	75 Å²	75	63.3 Å²	63.3	40%	0.401	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	128.7	172.2	-70.1	-24.7	0	0	0	109.9	M411 Y412 N461	M411-N419 WeakPolarHBondContact O-CA 3.28Å; Y412-N419 WeakPolarHBondContact CA-OD1 3.21Å; Y412-N419 WeakPolarHBondContact CB-OD1 3.45Å; N419-N461 WeakPolarHBondContact O-CB 3.48Å; N419-N461 PolarHBondContact O-ND2 3.44Å
420	I	83.7	Confident	85	Confident	56 Å²	56	64.8 Å²	64.8	29%	0.287	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	148.3	177.8	63.6	167.7	0	0	0	110.6	F410 M411 D413 Q418	F410-I420 WeakPolarHBondContact CA-O 3.23Å; M411-I420 HydrophobicContact CG-CD1 4.31Å; M411-I420 HydrophobicContact CG-CG1 3.84Å; M411-I420 PolarHBondContact N-O 3.3Å; M411-I420 PolarHBondContact O-N 3.2Å; D413-I420 HydrophobicContact CB-CD1 3.84Å; D413-I420 HydrophobicContact CB-CG1 3.96Å; D413-I420 HydrophobicContact CB-CG2 4.06Å; Q418-I420 HydrophobicContact CG-CG2 4.37Å
421	K	88.3	Confident	85.3	Confident	21 Å²	21	67.6 Å²	67.6	9%	0.091	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	128.7	172.4	-169.8	179.5	176.7	-116.6	0	110.4	R409 F410 N423 H457 G459 C518 N520	R409-K421 CarbonylContact O-C 3.55Å; R409-K421 VanDerWaalsContact O-CA 3.27Å; R409-K421 WeakPolarHBondContact O-CA 3.45Å; F410-K421 HydrophobicContact CD1-CB 3.97Å; F410-K421 HydrophobicContact CD1-CG 4.16Å; F410-K421 HydrophobicContact CE1-CB 3.73Å; F410-K421 HydrophobicContact CE1-CD 3.97Å; F410-K421 HydrophobicContact CE1-CG 3.71Å; F410-K421 HydrophobicContact CZ-CD 4.15Å; F410-K421 HydrophobicContact CZ-CG 4.19Å; K421-N423 PolarHBondContact NZ-OD1 2.93Å; K421-H457 WeakPolarHBondContact CE-ND1 3.41Å; K421-H457 PolarHBondContact NZ-O 3.25Å; K421-G459 WeakPolarHBondContact CD-O 3.49Å; K421-C518 PolarHBondContact NZ-O 3.3Å; K421-N520 VanDerWaalsContact CE-OD1 3.23Å; K421-N520 WeakPolarHBondContact CE-OD1 3.48Å; K421-N520 VanDerWaalsContact NZ-CG 3.33Å; K421-N520 PolarHBondContact NZ-ND2 3.26Å; K421-N520 PolarHBondContact NZ-OD1 2.93Å
422	I	89.1	Confident	85.9	Confident	13 Å²	13	65.2 Å²	65.2	7%	0.067	33%	0.325	C	S	.	.			trans	-87.6	112	176.1	-56.4	171.2	0	0	0	108.6	I355 K356 R409 M411 D424	I355-I422 HydrophobicContact CD1-CB 3.79Å; I355-I422 HydrophobicContact CD1-CD1 4.08Å; I355-I422 HydrophobicContact CD1-CG2 3.64Å; I355-I422 HydrophobicContact CG1-CD1 4.05Å; I355-I422 HydrophobicContact CG1-CG2 4.1Å; K356-I422 HydrophobicContact CB-CD1 4.27Å; R409-I422 PolarHBondContact NH1-O 3.3Å; R409-I422 PolarHBondContact O-N 3.34Å; M411-I422 HydrophobicContact CB-CD1 4.11Å; M411-I422 HydrophobicContact CG-CD1 3.77Å; M411-I422 HydrophobicContact CG-CG1 3.88Å; M411-I422 HydrophobicContact SD-CD1 3.69Å; M411-I422 HydrophobicContact SD-CG1 4.02Å; I422-D424 HydrophobicContact CG2-CB 3.92Å
423	N	89.8	Confident	86.8	Confident	49 Å²	49	62.4 Å²	62.4	26%	0.262	32%	0.321	S	S	.	.			trans	-99.2	7.8	-179.8	-63.2	-49.8	0	0	0	113.8	K421 G508 N520	K421-N423 PolarHBondContact NZ-OD1 2.93Å; N423-G508 PolarHBondContact O-N 3.04Å; N423-N520 WeakPolarHBondContact CA-ND2 3.5Å; N423-N520 PolarHBondContact OD1-ND2 3.36Å
424	D	90.7	Very high	87.7	Confident	82 Å²	82	61 Å²	61	44%	0.439	31%	0.314	S	S	.	.			trans	-50.5	146.1	177.1	-60	8.8	0	0	0	112	R409 I422 F426	R409-D424 PolarHBondContact NH1-O 3.23Å; I422-D424 HydrophobicContact CG2-CB 3.92Å; D424-F426 PolarHBondContact O-N 3.07Å
425	R	93.4	Very high	88.4	Confident	129 Å²	129	58.3 Å²	58.3	49%	0.487	29%	0.294	S	S	.	.			trans	-66.5	121.4	177.2	-170.2	168.4	179.5	-78.7	-5	110.3	E427 Y506 G507	R425-E427 IonicContact CZ-OE1 2.79Å; R425-E427 IonicContact NH1-OE1 2.66Å; R425-E427 PolarHBondContact NH1-OE1 3.11Å; R425-E427 IonicContact NH2-OE1 2.71Å; R425-E427 PolarHBondContact NH2-OE1 2.96Å; R425-Y506 CarbonylContact C-O 3.57Å; R425-Y506 WeakPolarHBondContact CA-O 3.37Å; R425-G507 WeakPolarHBondContact CB-O 3.41Å; R425-G507 WeakPolarHBondContact CG-O 3.48Å
426	F	95.8	Very high	89.2	Confident	1 Å²	1	55.3 Å²	55.3	0%	0.004	28%	0.28	C	S	.	.			trans	-136.6	115.6	-179.2	-175.3	-96.8	0	0	0	110.7	I355 K358 N360 I361 S364 L407 D424 Y506	I355-F426 HydrophobicContact CB-CD2 4.13Å; I355-F426 HydrophobicContact CB-CE2 4.43Å; I355-F426 HydrophobicContact CG2-CD1 4.48Å; I355-F426 HydrophobicContact CG2-CD2 4.08Å; I355-F426 HydrophobicContact CG2-CE2 4.14Å; I355-F426 HydrophobicContact CG2-CG 4.25Å; I355-F426 HydrophobicContact CG2-CZ 4.32Å; K358-F426 HydrophobicContact CB-CE2 4.19Å; N360-F426 VanDerWaalsContact C-CE2 3.47Å; N360-F426 WeakPolarHBondContact O-CE2 3.49Å; I361-F426 HydrophobicContact CB-CZ 4.41Å; I361-F426 HydrophobicContact CG1-CE1 3.55Å; I361-F426 HydrophobicContact CG1-CZ 3.82Å; S364-F426 WeakPolarHBondContact OG-CE2 3.5Å; S364-F426 WeakPolarHBondContact OG-CZ 3.4Å; L407-F426 HydrophobicContact CD1-CD1 3.91Å; L407-F426 HydrophobicContact CD1-CE1 4.05Å; L407-F426 HydrophobicContact CD2-CD1 4.21Å; L407-F426 HydrophobicContact CD2-CE1 3.54Å; L407-F426 HydrophobicContact CD2-CZ 4.21Å; L407-F426 HydrophobicContact CG-CE1 4.43Å; D424-F426 PolarHBondContact O-N 3.07Å; F426-Y506 PolarHBondContact N-O 3.05Å; F426-Y506 WeakPolarHBondContact O-CA 3.32Å; F426-Y506 WeakPolarHBondContact O-CD1 3.49Å
427	E	96.2	Very high	90.1	Very high	65 Å²	65	52.6 Å²	52.6	30%	0.304	26%	0.262	S	S	.	.	B	Isolated β-bridge	trans	-89	141.4	-174.7	-57.6	178.8	157.1	0	0	112.8	K359 N360 I361 R425 Y506	K359-E427 PolarHBondContact O-N 3.35Å; N360-E427 VanDerWaalsContact CA-O 3.22Å; N360-E427 WeakPolarHBondContact CA-O 3.37Å; N360-E427 HydrophobicContact CB-CB 3.98Å; N360-E427 WeakPolarHBondContact CB-O 3.4Å; I361-E427 PolarHBondContact N-O 3.39Å; R425-E427 IonicContact CZ-OE1 2.79Å; R425-E427 IonicContact NH1-OE1 2.66Å; R425-E427 PolarHBondContact NH1-OE1 3.11Å; R425-E427 IonicContact NH2-OE1 2.71Å; R425-E427 PolarHBondContact NH2-OE1 2.96Å; E427-Y506 HydrophobicContact CB-CD1 4.49Å; E427-Y506 HydrophobicContact CB-CE1 4.28Å; E427-Y506 HydrophobicContact CB-CE2 4.29Å; E427-Y506 HydrophobicContact CG-CD2 3.93Å; E427-Y506 HydrophobicContact CG-CE2 3.95Å; E427-Y506 HydrophobicContact CG-CG 4.29Å
428	F	96.9	Very high	90.8	Very high	2 Å²	2	47.7 Å²	47.7	1%	0.009	24%	0.236	C	C	.	.			trans	-135.7	129.2	175.6	51.6	-92.5	0	0	0	110.8	I361 L451 V454 I502 N505 Y506 A521 L524	I361-F428 HydrophobicContact CD1-CB 3.28Å; I361-F428 HydrophobicContact CG1-CB 3.84Å; F428-L451 HydrophobicContact CD2-CD2 4.12Å; F428-L451 HydrophobicContact CE2-CD2 4.18Å; F428-V454 HydrophobicContact CE2-CG1 4.06Å; F428-V454 HydrophobicContact CE2-CG2 3.86Å; F428-V454 HydrophobicContact CZ-CG1 3.8Å; F428-V454 HydrophobicContact CZ-CG2 4.44Å; F428-I502 HydrophobicContact CD2-CG2 3.92Å; F428-I502 HydrophobicContact CE2-CB 4.14Å; F428-I502 HydrophobicContact CE2-CG1 4.37Å; F428-I502 HydrophobicContact CE2-CG2 3.64Å; F428-I502 HydrophobicContact CZ-CG2 4.35Å; F428-I502 WeakPolarHBondContact CZ-O 3.46Å; F428-I502 WeakPolarHBondContact O-CG2 3.47Å; F428-N505 HydrophobicContact CZ-CB 4.15Å; F428-Y506 AromaticContact CD1-CD1 3.75Å; F428-Y506 HydrophobicContact CD1-CD1 3.75Å; F428-Y506 AromaticContact CD1-CE1 3.83Å; F428-Y506 HydrophobicContact CD1-CE1 3.83Å; F428-Y506 HydrophobicContact CD2-CE1 4.34Å; F428-Y506 AromaticContact CE1-CD1 3.56Å; F428-Y506 HydrophobicContact CE1-CD1 3.56Å; F428-Y506 AromaticContact CE1-CE1 3.87Å; F428-Y506 HydrophobicContact CE1-CE1 3.87Å; F428-Y506 HydrophobicContact CE2-CE1 4.38Å; F428-Y506 HydrophobicContact CG-CD1 4.45Å; F428-Y506 HydrophobicContact CG-CE1 4.07Å; F428-Y506 HydrophobicContact CZ-CD1 4.12Å; F428-Y506 HydrophobicContact CZ-CE1 4.14Å; F428-Y506 PolarHBondContact O-OH 2.74Å; F428-A521 HydrophobicContact CD1-CB 4.38Å; F428-A521 HydrophobicContact CE1-CB 3.48Å; F428-A521 VanDerWaalsContact CE1-CB 3.48Å; F428-A521 HydrophobicContact CZ-CB 3.76Å; F428-L524 HydrophobicContact CB-CD1 3.6Å; F428-L524 HydrophobicContact CD1-CD1 4.05Å; F428-L524 HydrophobicContact CD1-CD2 4.3Å; F428-L524 HydrophobicContact CD2-CD1 4.08Å; F428-L524 HydrophobicContact CD2-CD2 3.84Å; F428-L524 HydrophobicContact CE1-CD2 4.29Å; F428-L524 HydrophobicContact CE2-CD2 3.82Å; F428-L524 HydrophobicContact CG-CD1 3.66Å; F428-L524 HydrophobicContact CG-CD2 4.09Å; F428-L524 HydrophobicContact CZ-CD2 4.06Å
429	P	94.1	Very high	91.5	Very high	35 Å²	35	48.2 Å²	48.2	23%	0.227	24%	0.238	C	C	.	.			trans	-84.5	154.8	-173.5	35.2	-36.5	0	0	0	112.3	F362 Q431 L432 Y526	F362-P429 HydrophobicContact CE2-CG 4.07Å; F362-P429 HydrophobicContact CZ-CG 4.48Å; P429-Q431 VanDerWaalsContact C-N 3.31Å; P429-Q431 WeakPolarHBondContact CB-O 3.29Å; P429-Q431 WeakPolarHBondContact CG-O 3.39Å; P429-Q431 PolarHBondContact O-N 3.16Å; P429-L432 HydrophobicContact CG-CB 4.23Å; P429-L432 HydrophobicContact CG-CD1 3.82Å; P429-Y526 WeakPolarHBondContact O-CE1 3.33Å; P429-Y526 PolarHBondContact O-OH 2.88Å
430	D	90.3	Very high	92.1	Very high	31 Å²	31	53 Å²	53	17%	0.166	26%	0.255	C	S	.	.	S	Bend	trans	-65.9	-33.4	171.4	-177.4	29.2	0	0	0	112.6	L451 K498 I502	D430-L451 PolarHBondContact O-N 3.21Å; D430-K498 WeakPolarHBondContact OD2-CE 3.44Å; D430-K498 IonicContact OD2-NZ 2.77Å; D430-K498 PolarHBondContact OD2-NZ 3.17Å; D430-I502 HydrophobicContact CB-CD1 4.08Å
431	Q	92.4	Very high	92.2	Very high	102 Å²	102	54.1 Å²	54.1	48%	0.477	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	122.9	172.7	-67.8	178.9	21.7	0	0	109.9	P429 P433 Y449	P429-Q431 VanDerWaalsContact C-N 3.31Å; P429-Q431 WeakPolarHBondContact CB-O 3.29Å; P429-Q431 WeakPolarHBondContact CG-O 3.39Å; P429-Q431 PolarHBondContact O-N 3.16Å; Q431-P433 WeakPolarHBondContact O-CD 3.29Å; Q431-Y449 CarbonylContact C-O 3.5Å; Q431-Y449 WeakPolarHBondContact CA-O 3.43Å
432	L	95	Very high	92.1	Very high	1 Å²	1	57 Å²	57	1%	0.005	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	97.1	-174.7	-176.4	65	0	0	0	110.6	I361 F362 L405 P429 L434 Y449 Y526	I361-L432 HydrophobicContact CB-CD1 4.49Å; I361-L432 HydrophobicContact CG2-CD1 3.71Å; I361-L432 HydrophobicContact CG2-CD2 4.12Å; F362-L432 HydrophobicContact CE1-CD1 4.11Å; F362-L432 HydrophobicContact CE2-CD1 4.33Å; F362-L432 HydrophobicContact CZ-CD1 3.94Å; L405-L432 HydrophobicContact CD1-CD2 4Å; P429-L432 HydrophobicContact CG-CB 4.23Å; P429-L432 HydrophobicContact CG-CD1 3.82Å; L432-L434 HydrophobicContact CD1-CD2 4.14Å; L432-L434 HydrophobicContact CD2-CD1 4.1Å; L432-L434 HydrophobicContact CD2-CD2 4.01Å; L432-L434 HydrophobicContact CD2-CG 4.17Å; L432-L434 HydrophobicContact CG-CD1 4.37Å; L432-L434 HydrophobicContact CG-CD2 3.82Å; L432-L434 HydrophobicContact CG-CG 3.93Å; L432-Y449 PolarHBondContact N-O 3.39Å; L432-Y449 PolarHBondContact O-N 3.26Å; L432-Y526 HydrophobicContact CB-CD1 3.96Å; L432-Y526 HydrophobicContact CB-CE1 3.63Å; L432-Y526 HydrophobicContact CD2-CD1 4.29Å; L432-Y526 HydrophobicContact CD2-CD2 4.34Å; L432-Y526 HydrophobicContact CD2-CE1 4.09Å; L432-Y526 HydrophobicContact CD2-CE2 4.14Å; L432-Y526 HydrophobicContact CD2-CG 4.41Å; L432-Y526 HydrophobicContact CG-CE1 4.49Å
433	P	94.8	Very high	91.7	Very high	57 Å²	57	61.9 Å²	61.9	37%	0.37	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	123.8	169.6	27.5	-34.1	0	0	0	111	F362 Q431	F362-P433 HydrophobicContact CE1-CG 3.97Å; F362-P433 HydrophobicContact CZ-CG 3.91Å; Q431-P433 WeakPolarHBondContact O-CD 3.29Å
434	L	95	Very high	91.6	Very high	0 Å²	0	68.4 Å²	68.4	0%	0	34%	0.344	C	S	.	.			trans	-119.4	6.5	-179	-64.9	177.6	0	0	0	114.2	F365 F399 L403 L432 E436 F437 A447 Y449	F365-L434 HydrophobicContact CD1-CD2 4.29Å; F365-L434 HydrophobicContact CD2-CD2 4.19Å; F365-L434 HydrophobicContact CE1-CD2 4.09Å; F365-L434 HydrophobicContact CE2-CD2 3.98Å; F365-L434 HydrophobicContact CG-CD2 4.33Å; F365-L434 HydrophobicContact CZ-CD1 4.21Å; F365-L434 HydrophobicContact CZ-CD2 3.93Å; F399-L434 HydrophobicContact CD1-CD1 4.42Å; F399-L434 HydrophobicContact CD2-CB 4.14Å; F399-L434 HydrophobicContact CE1-CD1 4.29Å; F399-L434 HydrophobicContact CE2-CB 3.73Å; F399-L434 HydrophobicContact CE2-CD1 4.37Å; F399-L434 HydrophobicContact CZ-CB 4.21Å; F399-L434 HydrophobicContact CZ-CD1 4.27Å; L403-L434 HydrophobicContact CD2-CD1 3.51Å; L432-L434 HydrophobicContact CD1-CD2 4.14Å; L432-L434 HydrophobicContact CD2-CD1 4.1Å; L432-L434 HydrophobicContact CD2-CD2 4.01Å; L432-L434 HydrophobicContact CD2-CG 4.17Å; L432-L434 HydrophobicContact CG-CD1 4.37Å; L432-L434 HydrophobicContact CG-CD2 3.82Å; L432-L434 HydrophobicContact CG-CG 3.93Å; L434-E436 PolarHBondContact O-N 3.25Å; L434-E436 VanDerWaalsContact O-N 3.16Å; L434-F437 HydrophobicContact CB-CD2 4.41Å; L434-F437 HydrophobicContact CD2-CD2 3.8Å; L434-F437 HydrophobicContact CD2-CE2 4.03Å; L434-F437 PolarHBondContact O-N 2.99Å; L434-A447 HydrophobicContact CB-CB 4.22Å; L434-A447 PolarHBondContact N-O 3.45Å; L434-Y449 HydrophobicContact CD1-CD2 3.88Å; L434-Y449 HydrophobicContact CD1-CE2 4.12Å; L434-Y449 HydrophobicContact CG-CD2 4.38Å
435	D	92.6	Very high	91.5	Very high	42 Å²	42	66.3 Å²	66.3	23%	0.225	33%	0.333	C	S	.	.	G	3₁₀ helix	trans	-58	-31.2	-177.7	-80.6	-55.1	0	0	0	113.1	F437 L438 P441 A447	D435-F437 PolarHBondContact O-N 3.03Å; D435-L438 PolarHBondContact O-N 2.86Å; D435-P441 HydrophobicContact CB-CB 4.43Å; D435-A447 VanDerWaalsContact CG-N 3.26Å; D435-A447 WeakPolarHBondContact OD1-CB 3.37Å; D435-A447 PolarHBondContact OD1-N 3.36Å; D435-A447 PolarHBondContact OD2-N 2.65Å
436	E	92.3	Very high	91.4	Very high	119 Å²	119	62.8 Å²	62.8	56%	0.556	33%	0.327	S	S	*	.	G	3₁₀ helix	trans	-65.3	-21.2	179.2	70.6	174.4	-179	0	0	113.7	L434	L434-E436 PolarHBondContact O-N 3.25Å; L434-E436 VanDerWaalsContact O-N 3.16Å
437	F	92.8	Very high	91.2	Very high	13 Å²	13	62.7 Å²	62.7	6%	0.057	33%	0.326	C	S	.	.	G	3₁₀ helix	trans	-96	-7.6	-177.9	-55.7	-69.2	0	0	0	113.3	F362 F365 K366 V369 F396 F399 L434 D435	F362-F437 HydrophobicContact CD1-CE2 4.46Å; F365-F437 HydrophobicContact CB-CD1 4.11Å; F365-F437 HydrophobicContact CB-CD2 4.12Å; F365-F437 HydrophobicContact CB-CE1 3.64Å; F365-F437 HydrophobicContact CB-CE2 3.65Å; F365-F437 HydrophobicContact CB-CG 4.34Å; F365-F437 HydrophobicContact CB-CZ 3.38Å; F365-F437 HydrophobicContact CD1-CD2 4.18Å; F365-F437 HydrophobicContact CD1-CE2 4.47Å; F365-F437 HydrophobicContact CD1-CG 4.29Å; F365-F437 HydrophobicContact CG-CD2 4.31Å; F365-F437 HydrophobicContact CG-CE2 4.14Å; F365-F437 HydrophobicContact CG-CZ 4.35Å; K366-F437 HydrophobicContact CG-CE1 3.83Å; K366-F437 HydrophobicContact CG-CZ 4.1Å; V369-F437 HydrophobicContact CG1-CD1 4.22Å; V369-F437 HydrophobicContact CG2-CD1 3.89Å; V369-F437 HydrophobicContact CG2-CE1 4.27Å; F396-F437 HydrophobicContact CD2-CB 4.18Å; F399-F437 HydrophobicContact CE2-CB 4.41Å; F399-F437 HydrophobicContact CZ-CB 4.2Å; L434-F437 HydrophobicContact CB-CD2 4.41Å; L434-F437 HydrophobicContact CD2-CD2 3.8Å; L434-F437 HydrophobicContact CD2-CE2 4.03Å; L434-F437 PolarHBondContact O-N 2.99Å; D435-F437 PolarHBondContact O-N 3.03Å
438	L	92.1	Very high	91.1	Very high	20 Å²	20	62.2 Å²	62.2	11%	0.105	33%	0.326	C	S	.	.	B	Isolated β-bridge	trans	-80.4	137.6	174.9	-74.8	176.2	0	0	0	111.1	F396 F399 D435 K440 A447	F396-L438 HydrophobicContact CB-CD2 4.09Å; F396-L438 WeakPolarHBondContact O-CA 3.47Å; F399-L438 HydrophobicContact CD2-CD1 4.21Å; F399-L438 HydrophobicContact CD2-CD2 3.49Å; F399-L438 VanDerWaalsContact CD2-CD2 3.49Å; F399-L438 HydrophobicContact CD2-CG 3.75Å; F399-L438 HydrophobicContact CE2-CD2 3.66Å; F399-L438 HydrophobicContact CE2-CG 3.73Å; F399-L438 HydrophobicContact CG-CD2 4.39Å; D435-L438 PolarHBondContact O-N 2.86Å; L438-K440 PolarHBondContact O-N 2.7Å; L438-A447 HydrophobicContact CD1-CB 3.8Å
439	Q	89.3	Confident	91	Very high	100 Å²	100	62.2 Å²	62.2	47%	0.467	33%	0.326	S	S	.	.	S	Bend	trans	-60.9	-34.2	174.1	-179.3	174.3	-10.3	0	0	112.2	F396 L397	F396-Q439 PolarHBondContact O-N 3.12Å; L397-Q439 HydrophobicContact CD2-CB 4.32Å
440	K	89.5	Confident	91	Very high	175 Å²	175	61.3 Å²	61.3	76%	0.761	32%	0.319	S	S	*	.	S	Bend	trans	-140.8	102.5	176.1	-172.9	178.7	178.8	-178.4	0	109.4	L438	L438-K440 PolarHBondContact O-N 2.7Å
441	P	86.3	Confident	91.3	Very high	80 Å²	80	59.9 Å²	59.9	52%	0.519	31%	0.311	S	S	.	.			trans	-68.5	145.7	176.7	27.6	-33.1	0	0	0	110.5	D435	D435-P441 HydrophobicContact CB-CB 4.43Å
442	D	85.8	Confident	91.3	Very high	82 Å²	82	55.3 Å²	55.3	44%	0.439	29%	0.29	S	S	.	.			trans	-101.3	111.8	174.2	-170.4	-12.2	0	0	0	110.2	K444 D445	D442-K444 PolarHBondContact O-N 3.23Å; D442-K444 PolarHBondContact OD1-N 3.01Å; D442-D445 HydrophobicContact CB-CB 4.49Å; D442-D445 CarbonylContact O-C 3.48Å; D442-D445 VanDerWaalsContact O-C 3.28Å; D442-D445 PolarHBondContact O-N 2.94Å; D442-D445 VanDerWaalsContact O-N 3.13Å
443	S	81.6	Confident	91.4	Very high	115 Å²	115	55.2 Å²	55.2	80%	0.804	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.7	-21.8	176.3	56.6	0	0	0	0	114.8
444	K	85.8	Confident	91.5	Very high	186 Å²	186	52.5 Å²	52.5	81%	0.809	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.2	-18	-179.7	-65.3	-175.8	-179.3	-179.5	0	113.6	D442	D442-K444 PolarHBondContact O-N 3.23Å; D442-K444 PolarHBondContact OD1-N 3.01Å
445	D	89.6	Confident	91.5	Very high	37 Å²	37	52.5 Å²	52.5	20%	0.198	27%	0.272	C	S	.	.	S	Bend	trans	-138.4	77.9	179.7	-174.6	12.8	0	0	0	109.1	D442 R528 S530	D442-D445 HydrophobicContact CB-CB 4.49Å; D442-D445 CarbonylContact O-C 3.48Å; D442-D445 VanDerWaalsContact O-C 3.28Å; D442-D445 PolarHBondContact O-N 2.94Å; D442-D445 VanDerWaalsContact O-N 3.13Å; D445-R528 VanDerWaalsContact CG-CZ 3.44Å; D445-R528 PolarHBondContact O-NH2 3.4Å; D445-R528 IonicContact OD1-CZ 2.79Å; D445-R528 IonicContact OD1-NE 2.65Å; D445-R528 PolarHBondContact OD1-NE 2.96Å; D445-R528 IonicContact OD1-NH2 2.72Å; D445-R528 PolarHBondContact OD1-NH2 3.05Å; D445-R528 IonicContact OD2-CZ 4Å; D445-R528 IonicContact OD2-NE 3.36Å; D445-R528 IonicContact OD2-NH1 3.19Å; D445-R528 IonicContact OD2-NH2 3.02Å; D445-R528 PolarHBondContact OD2-NH2 3.11Å; D445-R528 VanDerWaalsContact OD2-NH2 3.16Å; D445-S530 WeakPolarHBondContact OD1-CB 2.9Å; D445-S530 PolarHBondContact OD1-OG 3.35Å
446	P	90.9	Very high	91.6	Very high	55 Å²	55	50.6 Å²	50.6	36%	0.357	26%	0.261	S	S	.	.			trans	-56	143.7	177.3	-23.8	34.2	0	0	0	111.6	N448 R528	P446-N448 PolarHBondContact O-N 2.65Å; P446-R528 PolarHBondContact O-NE 3.34Å
447	A	92.9	Very high	91.6	Very high	0 Å²	0	45 Å²	45	0%	0	24%	0.235	C	C	.	.			trans	-80.3	52	174.1	0	0	0	0	0	111.4	F399 L434 D435 L438 Y449	F399-A447 HydrophobicContact CD2-CB 4.3Å; L434-A447 HydrophobicContact CB-CB 4.22Å; L434-A447 PolarHBondContact N-O 3.45Å; D435-A447 VanDerWaalsContact CG-N 3.26Å; D435-A447 WeakPolarHBondContact OD1-CB 3.37Å; D435-A447 PolarHBondContact OD1-N 3.36Å; D435-A447 PolarHBondContact OD2-N 2.65Å; L438-A447 HydrophobicContact CD1-CB 3.8Å; A447-Y449 HydrophobicContact CB-CE2 4.33Å; A447-Y449 WeakPolarHBondContact O-CD2 3.45Å
448	N	94	Very high	91.2	Very high	54 Å²	54	45.5 Å²	45.5	29%	0.289	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	128.9	173	-69.6	-21.2	0	0	0	110	P446 E529	P446-N448 PolarHBondContact O-N 2.65Å; N448-E529 HydrophobicContact CB-CB 4.33Å; N448-E529 WeakPolarHBondContact O-CB 3.43Å; N448-E529 PolarHBondContact O-N 3.31Å
449	Y	95.1	Very high	90.8	Very high	2 Å²	2	45.3 Å²	45.3	1%	0.008	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	145.3	-178	-79.6	-95.3	0	0	0	111.6	F399 P400 L403 Q431 L432 L434 A447 I527 R528	F399-Y449 HydrophobicContact CB-CE2 4.09Å; F399-Y449 WeakPolarHBondContact CB-OH 3.34Å; P400-Y449 WeakPolarHBondContact O-CE1 3.49Å; P400-Y449 PolarHBondContact O-OH 3.01Å; L403-Y449 HydrophobicContact CB-CD1 4.07Å; L403-Y449 HydrophobicContact CB-CE1 3.82Å; L403-Y449 HydrophobicContact CD2-CD1 4.49Å; L403-Y449 HydrophobicContact CD2-CE1 4.47Å; Q431-Y449 CarbonylContact C-O 3.5Å; Q431-Y449 WeakPolarHBondContact CA-O 3.43Å; L432-Y449 PolarHBondContact N-O 3.39Å; L432-Y449 PolarHBondContact O-N 3.26Å; L434-Y449 HydrophobicContact CD1-CD2 3.88Å; L434-Y449 HydrophobicContact CD1-CE2 4.12Å; L434-Y449 HydrophobicContact CG-CD2 4.38Å; A447-Y449 HydrophobicContact CB-CE2 4.33Å; A447-Y449 WeakPolarHBondContact O-CD2 3.45Å; Y449-I527 WeakPolarHBondContact CA-O 3.3Å; Y449-R528 HydrophobicContact CD1-CB 4.17Å; Y449-R528 HydrophobicContact CE1-CB 3.67Å; Y449-R528 HydrophobicContact CE1-CG 4.36Å; Y449-R528 HydrophobicContact CE2-CB 4.47Å; Y449-R528 HydrophobicContact CE2-CG 4.28Å
450	I	93.8	Very high	90.1	Very high	17 Å²	17	44.6 Å²	44.6	9%	0.087	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	132	177.2	-60.9	168	0	0	0	108.3	H452 Y526 I527 E529 L532	I450-H452 PolarHBondContact O-N 2.64Å; I450-Y526 CarbonylContact O-C 3.58Å; I450-Y526 WeakPolarHBondContact O-CA 3.13Å; I450-I527 PolarHBondContact N-O 3.17Å; I450-I527 PolarHBondContact O-N 2.83Å; I450-E529 HydrophobicContact CD1-CB 4.17Å; I450-E529 HydrophobicContact CD1-CG 4.08Å; I450-E529 HydrophobicContact CG1-CB 4.48Å; I450-L532 HydrophobicContact CD1-CD2 3.95Å
451	L	94.9	Very high	89.2	Confident	1 Å²	1	38.9 Å²	38.9	1%	0.005	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66	127.4	178.2	-174.5	68.1	0	0	0	110.3	F428 D430 V454 W485 I502 L524 Y526	F428-L451 HydrophobicContact CD2-CD2 4.12Å; F428-L451 HydrophobicContact CE2-CD2 4.18Å; D430-L451 PolarHBondContact O-N 3.21Å; L451-V454 HydrophobicContact CD1-CG2 4.15Å; L451-V454 HydrophobicContact CD2-CG2 3.72Å; L451-V454 HydrophobicContact CG-CG2 4.17Å; L451-W485 HydrophobicContact CD2-CH2 3.9Å; L451-W485 HydrophobicContact CD2-CZ2 4.27Å; L451-W485 HydrophobicContact CG-CH2 3.94Å; L451-I502 HydrophobicContact CD2-CD1 3.63Å; L451-I502 HydrophobicContact CD2-CG1 3.74Å; L451-L524 HydrophobicContact CD1-CB 4.37Å; L451-L524 HydrophobicContact CD1-CD2 4.34Å; L451-Y526 HydrophobicContact CB-CD1 4.12Å; L451-Y526 HydrophobicContact CB-CE1 3.76Å; L451-Y526 HydrophobicContact CD1-CD1 4.27Å; L451-Y526 HydrophobicContact CD1-CD2 4.13Å; L451-Y526 HydrophobicContact CD1-CE1 3.83Å; L451-Y526 HydrophobicContact CD1-CE2 3.67Å; L451-Y526 HydrophobicContact CD1-CG 4.41Å; L451-Y526 HydrophobicContact CG-CE1 4.37Å
452	H	94.3	Very high	88.2	Confident	5 Å²	5	41.3 Å²	41.3	2%	0.023	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	-41.4	-176.6	-178.6	60.8	0	0	0	112.7	I450 L470 N471 V525 I527	I450-H452 PolarHBondContact O-N 2.64Å; H452-L470 WeakPolarHBondContact O-CA 3.47Å; H452-N471 PolarHBondContact CE1-O 3.27Å; H452-N471 VanDerWaalsContact CE1-O 3.26Å; H452-N471 PolarHBondContact ND1-O 2.98Å; H452-N471 PolarHBondContact O-N 2.96Å; H452-V525 WeakPolarHBondContact CA-O 3.4Å; H452-V525 PolarHBondContact N-O 3.09Å; H452-I527 HydrophobicContact CB-CD1 3.77Å; H452-I527 HydrophobicContact CB-CG1 3.9Å; H452-I527 VanDerWaalsContact CG-CD1 3.48Å
453	A	95.9	Very high	87.3	Confident	0 Å²	0	39 Å²	39	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	144.1	179	0	0	0	0	0	112.5	T232 L455 V468 Y469 L470 V525	T232-A453 HydrophobicContact CG2-CB 4.03Å; A453-L455 HydrophobicContact CB-CD1 4.26Å; A453-V468 HydrophobicContact CB-CG2 4.32Å; A453-Y469 CarbonylContact C-O 3.41Å; A453-Y469 VanDerWaalsContact CA-O 3.3Å; A453-Y469 WeakPolarHBondContact CA-O 3.02Å; A453-L470 HydrophobicContact CB-CD2 3.4Å; A453-L470 HydrophobicContact CB-CG 4.05Å; A453-V525 HydrophobicContact CB-CB 3.79Å; A453-V525 HydrophobicContact CB-CG2 4.05Å; A453-V525 PolarHBondContact N-O 3.02Å; A453-V525 VanDerWaalsContact N-O 3.13Å; A453-V525 PolarHBondContact O-N 3.19Å
454	V	96.9	Very high	87.2	Confident	0 Å²	0	34.2 Å²	34.2	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	105	172.7	-174.8	0	0	0	0	107.9	F428 L451 V456 V468 Y469 W485 N505 A521 L524	F428-V454 HydrophobicContact CE2-CG1 4.06Å; F428-V454 HydrophobicContact CE2-CG2 3.86Å; F428-V454 HydrophobicContact CZ-CG1 3.8Å; F428-V454 HydrophobicContact CZ-CG2 4.44Å; L451-V454 HydrophobicContact CD1-CG2 4.15Å; L451-V454 HydrophobicContact CD2-CG2 3.72Å; L451-V454 HydrophobicContact CG-CG2 4.17Å; V454-V456 HydrophobicContact CG1-CG2 3.85Å; V454-V468 WeakPolarHBondContact O-CA 3.43Å; V454-Y469 PolarHBondContact N-O 3.33Å; V454-Y469 PolarHBondContact O-N 2.73Å; V454-W485 HydrophobicContact CG2-CH2 4.46Å; V454-W485 HydrophobicContact CG2-CZ3 4.37Å; V454-N505 HydrophobicContact CG1-CB 4.45Å; V454-A521 HydrophobicContact CG1-CB 3.74Å; V454-L524 HydrophobicContact CB-CD2 4.23Å; V454-L524 HydrophobicContact CG1-CD2 3.81Å; V454-L524 HydrophobicContact CG2-CD2 4.04Å
455	L	96.2	Very high	87.1	Confident	0 Å²	0	28.2 Å²	28.2	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	124.1	173.9	-69.3	78.1	0	0	0	108.1	T232 V297 A453 V468 A521 Y522 M523 V525	T232-L455 HydrophobicContact CG2-CD1 4.45Å; V297-L455 HydrophobicContact CG1-CD2 4.31Å; V297-L455 HydrophobicContact CG2-CD2 3.75Å; A453-L455 HydrophobicContact CB-CD1 4.26Å; L455-V468 HydrophobicContact CD1-CG2 3.99Å; L455-V468 HydrophobicContact CG-CB 4.3Å; L455-V468 HydrophobicContact CG-CG2 3.85Å; L455-A521 CarbonylContact O-C 3.08Å; L455-A521 WeakPolarHBondContact O-CA 3.29Å; L455-Y522 PolarHBondContact O-N 3.09Å; L455-M523 HydrophobicContact CB-CB 4.1Å; L455-M523 HydrophobicContact CD1-CB 4.41Å; L455-M523 HydrophobicContact CD1-CG 4.49Å; L455-M523 HydrophobicContact CD2-CB 4.44Å; L455-M523 HydrophobicContact CD2-SD 4.19Å; L455-M523 PolarHBondContact N-O 2.97Å; L455-M523 PolarHBondContact O-N 3.03Å; L455-V525 HydrophobicContact CD1-CG2 4.32Å
456	V	94.4	Very high	87.1	Confident	1 Å²	1	27 Å²	27	1%	0.006	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	135.1	-172.2	177.9	0	0	0	0	109.2	V454 Y466 V467 Y469 N505 T519 N520	V454-V456 HydrophobicContact CG1-CG2 3.85Å; V456-Y466 WeakPolarHBondContact O-CA 3.49Å; V456-V467 PolarHBondContact N-O 2.72Å; V456-V467 PolarHBondContact O-N 3.29Å; V456-Y469 HydrophobicContact CB-CE2 4.3Å; V456-Y469 HydrophobicContact CG2-CD2 3.73Å; V456-Y469 HydrophobicContact CG2-CE2 3.72Å; V456-N505 HydrophobicContact CG2-CB 4.07Å; V456-T519 HydrophobicContact CG1-CG2 3.49Å; V456-T519 VanDerWaalsContact CG1-CG2 3.49Å; V456-N520 WeakPolarHBondContact CA-O 3.44Å
457	H	90.8	Very high	87.2	Confident	2 Å²	2	24.7 Å²	24.7	1%	0.009	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	124.4	173.9	-178.5	-98.5	0	0	0	109.9	K421 D460 G464 Y466 C518 N520	K421-H457 WeakPolarHBondContact CE-ND1 3.41Å; K421-H457 PolarHBondContact NZ-O 3.25Å; H457-D460 PolarHBondContact CE1-O 3.04Å; H457-D460 VanDerWaalsContact CE1-O 3.26Å; H457-G464 WeakPolarHBondContact NE2-CA 3.32Å; H457-Y466 HydrophobicContact CB-CD1 4.21Å; H457-Y466 HydrophobicContact CB-CE1 3.96Å; H457-Y466 AromaticContact CD2-CD1 3.99Å; H457-Y466 AromaticContact CD2-CD2 3.72Å; H457-Y466 AromaticContact CD2-CE1 3.61Å; H457-Y466 AromaticContact CD2-CE2 3.33Å; H457-Y466 WeakPolarHBondContact CD2-CE2 3.48Å; H457-Y466 AromaticContact CD2-CZ 3.27Å; H457-Y466 AromaticContact NE2-CE2 3.85Å; H457-C518 VanDerWaalsContact O-O 3.05Å; H457-N520 PolarHBondContact N-O 3.31Å; H457-N520 PolarHBondContact O-N 3.22Å
458	S	86.1	Confident	87.3	Confident	24 Å²	24	24.7 Å²	24.7	17%	0.168	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	122.6	173.6	-56.7	0	0	0	0	109.7	G464 H465 C518 T519	S458-G464 CarbonylContact O-C 3.42Å; S458-G464 WeakPolarHBondContact O-CA 3.24Å; S458-H465 PolarHBondContact N-O 3.01Å; S458-H465 PolarHBondContact O-N 3.1Å; S458-C518 WeakPolarHBondContact CA-O 3.47Å; S458-T519 WeakPolarHBondContact CB-OG1 3.47Å; S458-T519 VanDerWaalsContact OG-CG2 3.3Å; S458-T519 WeakPolarHBondContact OG-CG2 3.47Å; S458-T519 PolarHBondContact OG-OG1 3.05Å
459	G	82.7	Confident	87.4	Confident	15 Å²	15	23.6 Å²	23.6	16%	0.155	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	125.9	-163.1	-177.1	0	0	0	0	0	112.7	K421 C518	K421-G459 WeakPolarHBondContact CD-O 3.49Å; G459-C518 PolarHBondContact N-O 2.82Å; G459-C518 PolarHBondContact N-SG 2.9Å; G459-C518 WeakPolarHBondContact O-CB 3.44Å
460	D	74.3	Confident	87.3	Confident	85 Å²	85	23.5 Å²	23.5	46%	0.455	13%	0.133	S	C	.	.			trans	-113.2	-166.1	-177.3	74.8	8.5	0	0	0	112.4	H457 H462 G463	H457-D460 PolarHBondContact CE1-O 3.04Å; H457-D460 VanDerWaalsContact CE1-O 3.26Å; D460-H462 VanDerWaalsContact C-N 3.33Å; D460-H462 PolarHBondContact OD1-N 3.43Å; D460-G463 PolarHBondContact N-O 2.93Å; D460-G463 VanDerWaalsContact N-O 3.08Å; D460-G463 PolarHBondContact OD1-N 3.45Å
461	N	71	Confident	87.1	Confident	55 Å²	55	22.9 Å²	22.9	29%	0.294	13%	0.13	S	C	.	.	S	Bend	trans	-70.8	-24.7	179.9	-179.5	65.2	0	0	0	114	F410 N419	F410-N461 HydrophobicContact CD1-CB 4.22Å; F410-N461 HydrophobicContact CE1-CB 4.18Å; N419-N461 WeakPolarHBondContact O-CB 3.48Å; N419-N461 PolarHBondContact O-ND2 3.44Å
462	H	66.1	Low	86.5	Confident	132 Å²	132	23.1 Å²	23.1	61%	0.611	13%	0.131	S	C	*	.	S	Bend	trans	-98.9	-17.4	-173.9	-59.1	103.3	0	0	0	112.8	D460	D460-H462 VanDerWaalsContact C-N 3.33Å; D460-H462 PolarHBondContact OD1-N 3.43Å
463	G	66.8	Low	85.8	Confident	32 Å²	32	29.4 Å²	29.4	33%	0.33	16%	0.159	S	C	.	.	S	Bend	trans	-166.6	126.1	176.4	0	0	0	0	0	112.4	D460	D460-G463 PolarHBondContact N-O 2.93Å; D460-G463 VanDerWaalsContact N-O 3.08Å; D460-G463 PolarHBondContact OD1-N 3.45Å
464	G	78.1	Confident	84.5	Confident	16 Å²	16	29.7 Å²	29.7	17%	0.165	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.9	-175.1	168	0	0	0	0	0	114.8	Q294 H457 S458	Q294-G464 PolarHBondContact NE2-O 3.29Å; H457-G464 WeakPolarHBondContact NE2-CA 3.32Å; S458-G464 CarbonylContact O-C 3.42Å; S458-G464 WeakPolarHBondContact O-CA 3.24Å
465	H	85.1	Confident	82.9	Confident	60 Å²	60	32.1 Å²	32.1	28%	0.278	17%	0.174	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	132.6	-179.8	-175.5	50.6	0	0	0	109.9	S458 D489 D490	S458-H465 PolarHBondContact N-O 3.01Å; S458-H465 PolarHBondContact O-N 3.1Å; H465-D489 IonicContact CD2-OD1 3.46Å; H465-D489 IonicContact CE1-OD1 2.7Å; H465-D489 IonicContact NE2-OD1 3.19Å; H465-D489 PolarHBondContact NE2-OD1 3.21Å; H465-D490 IonicContact CE1-OD2 3.32Å; H465-D490 PolarHBondContact CE1-OD2 3.29Å
466	Y	89.6	Confident	80.8	Confident	12 Å²	12	33.8 Å²	33.8	5%	0.047	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	133.6	-179.2	-74	-93.9	0	0	0	110.5	C224 V297 V456 H457 Y522	C224-Y466 PolarHBondContact SG-N 2.8Å; V297-Y466 HydrophobicContact CB-CE1 4.45Å; V297-Y466 HydrophobicContact CG1-CE1 4.27Å; V456-Y466 WeakPolarHBondContact O-CA 3.49Å; H457-Y466 HydrophobicContact CB-CD1 4.21Å; H457-Y466 HydrophobicContact CB-CE1 3.96Å; H457-Y466 AromaticContact CD2-CD1 3.99Å; H457-Y466 AromaticContact CD2-CD2 3.72Å; H457-Y466 AromaticContact CD2-CE1 3.61Å; H457-Y466 AromaticContact CD2-CE2 3.33Å; H457-Y466 WeakPolarHBondContact CD2-CE2 3.48Å; H457-Y466 AromaticContact CD2-CZ 3.27Å; H457-Y466 AromaticContact NE2-CE2 3.85Å; Y466-Y522 HydrophobicContact CE1-CD1 4.3Å
467	V	92.1	Very high	78.5	Confident	6 Å²	6	39.2 Å²	39.2	4%	0.036	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	151.4	176	177.4	0	0	0	0	107.9	V456 Y469 K487 F488 D489	V456-V467 PolarHBondContact N-O 2.72Å; V456-V467 PolarHBondContact O-N 3.29Å; V467-Y469 HydrophobicContact CG1-CE2 4.22Å; V467-K487 HydrophobicContact CG1-CD 4.23Å; V467-K487 VanDerWaalsContact CG1-CE 3.46Å; V467-K487 HydrophobicContact CG1-CG 3.66Å; V467-F488 WeakPolarHBondContact CG1-O 3.47Å; V467-D489 HydrophobicContact CG1-CB 4.28Å; V467-D489 HydrophobicContact CG2-CB 4.41Å
468	V	95.8	Very high	76.2	Confident	0 Å²	0	45.1 Å²	45.1	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	134.5	173.3	65.7	0	0	0	0	112	Q231 A453 V454 L455 L470 F488	Q231-V468 HydrophobicContact CB-CG1 4.12Å; A453-V468 HydrophobicContact CB-CG2 4.32Å; V454-V468 WeakPolarHBondContact O-CA 3.43Å; L455-V468 HydrophobicContact CD1-CG2 3.99Å; L455-V468 HydrophobicContact CG-CB 4.3Å; L455-V468 HydrophobicContact CG-CG2 3.85Å; V468-L470 HydrophobicContact CB-CD1 4.45Å; V468-L470 HydrophobicContact CG1-CD1 3.73Å; V468-L470 HydrophobicContact CG2-CD1 3.89Å; V468-L470 HydrophobicContact CG2-CG 3.91Å; V468-F488 HydrophobicContact CG1-CB 3.73Å; V468-F488 HydrophobicContact CG1-CG 4.44Å; V468-F488 PolarHBondContact N-O 3.1Å; V468-F488 PolarHBondContact O-N 3.36Å
469	Y	95.1	Very high	73.8	Confident	30 Å²	30	47.2 Å²	47.2	12%	0.118	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	129	168.8	-61.1	-96.8	0	0	0	108.6	A453 V454 V456 V467 C486 K487 C496 A501	A453-Y469 CarbonylContact C-O 3.41Å; A453-Y469 VanDerWaalsContact CA-O 3.3Å; A453-Y469 WeakPolarHBondContact CA-O 3.02Å; V454-Y469 PolarHBondContact N-O 3.33Å; V454-Y469 PolarHBondContact O-N 2.73Å; V456-Y469 HydrophobicContact CB-CE2 4.3Å; V456-Y469 HydrophobicContact CG2-CD2 3.73Å; V456-Y469 HydrophobicContact CG2-CE2 3.72Å; V467-Y469 HydrophobicContact CG1-CE2 4.22Å; Y469-C486 WeakPolarHBondContact CA-O 3.21Å; Y469-K487 HydrophobicContact CD1-CB 3.82Å; Y469-K487 HydrophobicContact CD1-CG 4.09Å; Y469-K487 HydrophobicContact CE1-CB 3.62Å; Y469-K487 HydrophobicContact CE1-CD 3.94Å; Y469-K487 HydrophobicContact CE1-CG 3.58Å; Y469-C496 HydrophobicContact CE1-CB 4.5Å; Y469-A501 HydrophobicContact CD1-CB 3.95Å; Y469-A501 HydrophobicContact CG-CB 4.04Å
470	L	93.3	Very high	71.8	Confident	0 Å²	0	54.2 Å²	54.2	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	149	-176.6	-77.2	142.5	0	0	0	110.8	Q231 F235 H452 A453 V468 P472 W485 C486 F488	Q231-L470 HydrophobicContact CB-CD1 3.85Å; F235-L470 HydrophobicContact CD2-CD1 3.87Å; F235-L470 HydrophobicContact CD2-CD2 4.32Å; F235-L470 HydrophobicContact CE2-CD1 4.19Å; H452-L470 WeakPolarHBondContact O-CA 3.47Å; A453-L470 HydrophobicContact CB-CD2 3.4Å; A453-L470 HydrophobicContact CB-CG 4.05Å; V468-L470 HydrophobicContact CB-CD1 4.45Å; V468-L470 HydrophobicContact CG1-CD1 3.73Å; V468-L470 HydrophobicContact CG2-CD1 3.89Å; V468-L470 HydrophobicContact CG2-CG 3.91Å; L470-P472 HydrophobicContact CB-CG 4.4Å; L470-P472 WeakPolarHBondContact O-CD 3.14Å; L470-W485 VanDerWaalsContact C-CE3 3.48Å; L470-C486 PolarHBondContact N-O 3.1Å; L470-C486 PolarHBondContact O-N 3.02Å; L470-F488 HydrophobicContact CB-CD2 4.15Å; L470-F488 HydrophobicContact CB-CE2 3.81Å; L470-F488 HydrophobicContact CD1-CD2 3.65Å; L470-F488 HydrophobicContact CD1-CE2 3.82Å; L470-F488 HydrophobicContact CD1-CG 4.25Å; L470-F488 HydrophobicContact CG-CD2 4.45Å; L470-F488 HydrophobicContact CG-CE2 4.45Å
471	N	89.8	Confident	70.4	Confident	4 Å²	4	58.5 Å²	58.5	2%	0.021	32%	0.32	C	S	.	.			trans	-111.6	84.7	162.2	178.1	2.4	0	0	0	109	H452 K473 G474 W485	H452-N471 PolarHBondContact CE1-O 3.27Å; H452-N471 VanDerWaalsContact CE1-O 3.26Å; H452-N471 PolarHBondContact ND1-O 2.98Å; H452-N471 PolarHBondContact O-N 2.96Å; N471-K473 VanDerWaalsContact C-N 3.3Å; N471-K473 PolarHBondContact O-N 3.01Å; N471-G474 PolarHBondContact O-N 2.91Å; N471-G474 PolarHBondContact OD1-N 3.24Å; N471-W485 HydrophobicContact CB-CD2 4.14Å; N471-W485 HydrophobicContact CB-CE3 4.24Å; N471-W485 HydrophobicContact CB-CH2 4.25Å; N471-W485 HydrophobicContact CB-CZ2 4.16Å; N471-W485 HydrophobicContact CB-CZ3 4.29Å
472	P	82.9	Confident	69.4	Low	7 Å²	7	64.2 Å²	64.2	5%	0.045	35%	0.345	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-33.1	-169.3	-32	40.1	0	0	0	115.8	Y214 F235 L470 F488	Y214-P472 HydrophobicContact CD2-CG 4.47Å; Y214-P472 HydrophobicContact CE1-CB 4.24Å; Y214-P472 HydrophobicContact CE1-CG 4.43Å; Y214-P472 HydrophobicContact CE2-CB 4.29Å; Y214-P472 HydrophobicContact CE2-CG 3.84Å; Y214-P472 WeakPolarHBondContact OH-CB 2.97Å; F235-P472 HydrophobicContact CD1-CB 3.54Å; F235-P472 HydrophobicContact CD1-CG 4.06Å; F235-P472 HydrophobicContact CD2-CG 4.41Å; F235-P472 HydrophobicContact CE1-CB 3.7Å; F235-P472 HydrophobicContact CE1-CG 3.93Å; F235-P472 HydrophobicContact CE2-CG 4.32Å; F235-P472 HydrophobicContact CG-CB 4.05Å; F235-P472 HydrophobicContact CG-CG 4.29Å; F235-P472 HydrophobicContact CZ-CB 4.34Å; F235-P472 HydrophobicContact CZ-CG 4.07Å; L470-P472 HydrophobicContact CB-CG 4.4Å; L470-P472 WeakPolarHBondContact O-CD 3.14Å; P472-F488 HydrophobicContact CG-CZ 4.47Å
473	K	78.7	Confident	68.9	Low	136 Å²	136	59.7 Å²	59.7	59%	0.591	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.9	-14.6	-174.7	-65.6	-175	176.3	-179.1	0	113.3	N471 D475	N471-K473 VanDerWaalsContact C-N 3.3Å; N471-K473 PolarHBondContact O-N 3.01Å; K473-D475 HydrophobicContact CB-CB 4.45Å; K473-D475 VanDerWaalsContact CB-CG 3.42Å; K473-D475 WeakPolarHBondContact CB-OD1 2.72Å; K473-D475 VanDerWaalsContact CB-OD2 3.24Å; K473-D475 WeakPolarHBondContact CB-OD2 3.44Å; K473-D475 VanDerWaalsContact CD-OD2 3.32Å; K473-D475 WeakPolarHBondContact CD-OD2 3.41Å; K473-D475 PolarHBondContact O-N 2.93Å
474	G	68.6	Low	69.2	Low	6 Å²	6	62.4 Å²	62.4	6%	0.062	33%	0.333	C	S	.	.			trans	66.9	22.1	-176.5	0	0	0	0	0	113.3	N471 G476	N471-G474 PolarHBondContact O-N 2.91Å; N471-G474 PolarHBondContact OD1-N 3.24Å; G474-G476 PolarHBondContact O-N 3.48Å
475	D	64.2	Low	69.6	Low	51 Å²	51	61.7 Å²	61.7	27%	0.273	33%	0.326	S	S	.	.			trans	-69.9	9.9	-168.6	-69.7	-21.8	0	0	0	114.9	K473 K477 V478	K473-D475 HydrophobicContact CB-CB 4.45Å; K473-D475 VanDerWaalsContact CB-CG 3.42Å; K473-D475 WeakPolarHBondContact CB-OD1 2.72Å; K473-D475 VanDerWaalsContact CB-OD2 3.24Å; K473-D475 WeakPolarHBondContact CB-OD2 3.44Å; K473-D475 VanDerWaalsContact CD-OD2 3.32Å; K473-D475 WeakPolarHBondContact CD-OD2 3.41Å; K473-D475 PolarHBondContact O-N 2.93Å; D475-K477 PolarHBondContact O-N 2.93Å; D475-V478 PolarHBondContact O-N 2.75Å
476	G	52.6	Low	69.7	Low	35 Å²	35	58.9 Å²	58.9	36%	0.361	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.4	0.2	-176.1	0	0	0	0	0	116.2	G474	G474-G476 PolarHBondContact O-N 3.48Å
477	K	45.6	Very low	69.6	Low	115 Å²	115	60.4 Å²	60.4	50%	0.5	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-135.3	-5.8	174.2	-75.5	-166.3	175	-178.9	0	116.5	D475 E529	D475-K477 PolarHBondContact O-N 2.93Å; K477-E529 IonicContact NZ-OE1 2.67Å; K477-E529 PolarHBondContact NZ-OE1 2.81Å; K477-E529 IonicContact NZ-OE2 2.73Å
478	V	42.9	Very low	69.6	Low	126 Å²	126	60.3 Å²	60.3	76%	0.764	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-117	-9.7	-162.9	-172.3	0	0	0	0	115.1	D475	D475-V478 PolarHBondContact O-N 2.75Å
479	S	35.5	Very low	69.2	Low	68 Å²	68	61 Å²	61	48%	0.476	32%	0.322	S	S	.	.			trans	-117.5	142.2	-178.8	-56.8	0	0	0	0	112.5	K481	S479-K481 WeakPolarHBondContact CB-O 3.46Å; S479-K481 PolarHBondContact O-N 3.23Å
480	V	39.9	Very low	68.9	Low	162 Å²	162	60.2 Å²	60.2	98%	0.982	32%	0.32	S	S	*	.	S	Bend	trans	-65	2	170.1	-175.6	0	0	0	0	112.3
481	K	44.8	Very low	68.3	Low	176 Å²	176	63.2 Å²	63.2	77%	0.765	34%	0.336	S	S	*	.	S	Bend	trans	-120.8	136.3	175.5	-71.3	-177.7	174.2	-176.1	0	108.4	S479	S479-K481 WeakPolarHBondContact CB-O 3.46Å; S479-K481 PolarHBondContact O-N 3.23Å
482	E	50.7	Low	67.6	Low	174 Å²	174	63.3 Å²	63.3	81%	0.813	34%	0.337	S	S	*	.			trans	-47.5	151	-177.9	-66.5	175.3	167.1	0	0	114.1	I484	E482-I484 PolarHBondContact O-N 3.46Å
483	P	56.1	Low	67.6	Low	37 Å²	37	63 Å²	63	24%	0.24	34%	0.335	C	S	.	.			trans	-58.8	124.4	177.2	22.5	-31.8	0	0	0	111.3	W485	P483-W485 PolarHBondContact O-N 2.91Å
484	I	71	Confident	67.6	Low	90 Å²	90	56.9 Å²	56.9	46%	0.462	31%	0.309	S	S	.	.			trans	-83.8	101.1	-179.5	-55.1	174.6	0	0	0	108.7	E482 R495	E482-I484 PolarHBondContact O-N 3.46Å; I484-R495 HydrophobicContact CG2-CG 3.97Å
485	W	86.6	Confident	68.2	Low	1 Å²	1	63 Å²	63	0%	0.004	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	144.8	168.6	-75.1	86.2	0	0	0	110.6	L451 V454 L470 N471 P483 R495 C496 A501 I502	L451-W485 HydrophobicContact CD2-CH2 3.9Å; L451-W485 HydrophobicContact CD2-CZ2 4.27Å; L451-W485 HydrophobicContact CG-CH2 3.94Å; V454-W485 HydrophobicContact CG2-CH2 4.46Å; V454-W485 HydrophobicContact CG2-CZ3 4.37Å; L470-W485 VanDerWaalsContact C-CE3 3.48Å; N471-W485 HydrophobicContact CB-CD2 4.14Å; N471-W485 HydrophobicContact CB-CE3 4.24Å; N471-W485 HydrophobicContact CB-CH2 4.25Å; N471-W485 HydrophobicContact CB-CZ2 4.16Å; N471-W485 HydrophobicContact CB-CZ3 4.29Å; P483-W485 PolarHBondContact O-N 2.91Å; W485-R495 WeakPolarHBondContact O-CA 3.4Å; W485-C496 WeakPolarHBondContact CB-O 3.44Å; W485-C496 VanDerWaalsContact CB-SG 3.53Å; W485-C496 PolarHBondContact O-N 3.19Å; W485-C496 PolarHBondContact O-SG 2.81Å; W485-A501 HydrophobicContact CB-CB 4.25Å; W485-A501 HydrophobicContact CD2-CB 3.61Å; W485-A501 HydrophobicContact CE3-CB 3.49Å; W485-A501 VanDerWaalsContact CE3-CB 3.49Å; W485-A501 HydrophobicContact CG-CB 3.97Å; W485-A501 HydrophobicContact CZ3-CB 4.07Å; W485-I502 HydrophobicContact CZ2-CD1 4.19Å; W485-I502 HydrophobicContact CZ2-CG1 4.5Å
486	C	87.1	Confident	68.9	Low	1 Å²	1	61.5 Å²	61.5	1%	0.007	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	133.9	173.8	-69.5	0	0	0	0	110.2	Y469 L470 F488 V493 S494	Y469-C486 WeakPolarHBondContact CA-O 3.21Å; L470-C486 PolarHBondContact N-O 3.1Å; L470-C486 PolarHBondContact O-N 3.02Å; C486-F488 HydrophobicContact CB-CD2 4.18Å; C486-F488 HydrophobicContact CB-CE2 3.51Å; C486-F488 HydrophobicContact CB-CZ 4.12Å; C486-F488 WeakPolarHBondContact O-CD2 3.08Å; C486-V493 HydrophobicContact CB-CG1 4.23Å; C486-S494 CarbonylContact C-O 3.41Å; C486-S494 VanDerWaalsContact CA-O 3.23Å; C486-S494 WeakPolarHBondContact CA-O 3.49Å
487	K	88.8	Confident	70.2	Confident	43 Å²	43	63.1 Å²	63.1	19%	0.187	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	121	168.4	-176.5	-170.9	177.3	-153.5	0	108.6	V467 Y469 D489 V493 S494	V467-K487 HydrophobicContact CG1-CD 4.23Å; V467-K487 VanDerWaalsContact CG1-CE 3.46Å; V467-K487 HydrophobicContact CG1-CG 3.66Å; Y469-K487 HydrophobicContact CD1-CB 3.82Å; Y469-K487 HydrophobicContact CD1-CG 4.09Å; Y469-K487 HydrophobicContact CE1-CB 3.62Å; Y469-K487 HydrophobicContact CE1-CD 3.94Å; Y469-K487 HydrophobicContact CE1-CG 3.58Å; K487-D489 VanDerWaalsContact CE-OD2 3.3Å; K487-D489 WeakPolarHBondContact CE-OD2 3.38Å; K487-D489 IonicContact NZ-OD2 3.6Å; K487-D489 PolarHBondContact NZ-OD2 2.78Å; K487-V493 WeakPolarHBondContact O-CA 3.23Å; K487-S494 PolarHBondContact N-O 3.25Å; K487-S494 PolarHBondContact O-N 2.89Å
488	F	91.8	Very high	72.1	Confident	4 Å²	4	61.2 Å²	61.2	2%	0.018	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	102.7	173.7	-65.3	-103.6	0	0	0	108.2	Y214 Q231 F235 V467 V468 L470 P472 C486 V493	Y214-F488 HydrophobicContact CD2-CZ 4.18Å; Y214-F488 HydrophobicContact CG-CE1 4.48Å; Y214-F488 HydrophobicContact CG-CZ 4.18Å; Q231-F488 HydrophobicContact CB-CD1 4.49Å; Q231-F488 HydrophobicContact CG-CB 4.31Å; Q231-F488 HydrophobicContact CG-CD1 3.94Å; Q231-F488 HydrophobicContact CG-CG 4.31Å; F235-F488 HydrophobicContact CD2-CZ 4.45Å; F235-F488 AromaticContact CE2-CE1 3.62Å; F235-F488 HydrophobicContact CE2-CE1 3.62Å; F235-F488 HydrophobicContact CE2-CE2 4.07Å; F235-F488 AromaticContact CE2-CZ 3.35Å; F235-F488 HydrophobicContact CE2-CZ 3.35Å; F235-F488 AromaticContact CZ-CE1 3.87Å; F235-F488 HydrophobicContact CZ-CE1 3.87Å; F235-F488 AromaticContact CZ-CZ 3.58Å; F235-F488 HydrophobicContact CZ-CZ 3.58Å; V467-F488 WeakPolarHBondContact CG1-O 3.47Å; V468-F488 HydrophobicContact CG1-CB 3.73Å; V468-F488 HydrophobicContact CG1-CG 4.44Å; V468-F488 PolarHBondContact N-O 3.1Å; V468-F488 PolarHBondContact O-N 3.36Å; L470-F488 HydrophobicContact CB-CD2 4.15Å; L470-F488 HydrophobicContact CB-CE2 3.81Å; L470-F488 HydrophobicContact CD1-CD2 3.65Å; L470-F488 HydrophobicContact CD1-CE2 3.82Å; L470-F488 HydrophobicContact CD1-CG 4.25Å; L470-F488 HydrophobicContact CG-CD2 4.45Å; L470-F488 HydrophobicContact CG-CE2 4.45Å; P472-F488 HydrophobicContact CG-CZ 4.47Å; C486-F488 HydrophobicContact CB-CD2 4.18Å; C486-F488 HydrophobicContact CB-CE2 3.51Å; C486-F488 HydrophobicContact CB-CZ 4.12Å; C486-F488 WeakPolarHBondContact O-CD2 3.08Å; F488-V493 HydrophobicContact CD1-CB 4.3Å; F488-V493 HydrophobicContact CD1-CG1 3.74Å; F488-V493 HydrophobicContact CD1-CG2 3.55Å; F488-V493 HydrophobicContact CD2-CG1 4.31Å; F488-V493 HydrophobicContact CE1-CB 4.4Å; F488-V493 HydrophobicContact CE1-CG1 3.6Å; F488-V493 HydrophobicContact CE1-CG2 3.83Å; F488-V493 HydrophobicContact CE2-CG1 4.17Å; F488-V493 HydrophobicContact CG-CG1 4.1Å; F488-V493 HydrophobicContact CG-CG2 4.36Å; F488-V493 HydrophobicContact CZ-CG1 3.81Å
489	D	87.4	Confident	74.1	Confident	15 Å²	15	59.4 Å²	59.4	8%	0.08	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	87.3	-179.2	-160.2	-17.7	0	0	0	107.8	H465 V467 K487 D491 V492	H465-D489 IonicContact CD2-OD1 3.46Å; H465-D489 IonicContact CE1-OD1 2.7Å; H465-D489 IonicContact NE2-OD1 3.19Å; H465-D489 PolarHBondContact NE2-OD1 3.21Å; V467-D489 HydrophobicContact CG1-CB 4.28Å; V467-D489 HydrophobicContact CG2-CB 4.41Å; K487-D489 VanDerWaalsContact CE-OD2 3.3Å; K487-D489 WeakPolarHBondContact CE-OD2 3.38Å; K487-D489 IonicContact NZ-OD2 3.6Å; K487-D489 PolarHBondContact NZ-OD2 2.78Å; D489-D491 PolarHBondContact O-N 2.91Å; D489-V492 CarbonylContact C-O 3.6Å; D489-V492 PolarHBondContact N-O 2.73Å; D489-V492 PolarHBondContact O-N 3.33Å
490	D	89.7	Confident	76.4	Confident	14 Å²	14	58 Å²	58	8%	0.075	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	46.8	-109.8	-172.2	-69.1	-33.7	0	0	0	113.2	G216 L217 N219 N227 H465 V492	G216-D490 CarbonylContact C-O 3.48Å; G216-D490 WeakPolarHBondContact CA-O 3.42Å; L217-D490 PolarHBondContact N-O 3.33Å; L217-D490 CarbonylContact O-C 3.53Å; L217-D490 WeakPolarHBondContact O-CA 3.5Å; N219-D490 HydrophobicContact CB-CB 4.15Å; N219-D490 WeakPolarHBondContact CB-OD2 3.39Å; N219-D490 PolarHBondContact ND2-OD2 2.95Å; N227-D490 PolarHBondContact ND2-OD1 2.97Å; H465-D490 IonicContact CE1-OD2 3.32Å; H465-D490 PolarHBondContact CE1-OD2 3.29Å; D490-V492 VanDerWaalsContact C-N 3.32Å
491	D	79.3	Confident	78.7	Confident	62 Å²	62	50.3 Å²	50.3	33%	0.332	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.8	-12.9	-175	61.6	-46.1	0	0	0	113.5	S208 L217 P274 D489	S208-D491 PolarHBondContact OG-O 2.73Å; L217-D491 PolarHBondContact O-N 2.96Å; L217-D491 VanDerWaalsContact O-N 3.1Å; P274-D491 HydrophobicContact CB-CB 3.71Å; P274-D491 HydrophobicContact CG-CB 3.77Å; D489-D491 PolarHBondContact O-N 2.91Å
492	V	76.1	Confident	80.9	Confident	6 Å²	6	42.2 Å²	42.2	4%	0.036	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	124.4	-178	-178.5	0	0	0	0	110.4	A200 W206 D489 D490	A200-V492 HydrophobicContact CB-CG1 3.76Å; W206-V492 HydrophobicContact CG-CG1 4.42Å; D489-V492 CarbonylContact C-O 3.6Å; D489-V492 PolarHBondContact N-O 2.73Å; D489-V492 PolarHBondContact O-N 3.33Å; D490-V492 VanDerWaalsContact C-N 3.32Å
493	V	82.3	Confident	82.8	Confident	0 Å²	0	39.2 Å²	39.2	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	132.1	170.2	-167.6	0	0	0	0	108.7	W206 S208 T212 C486 K487 F488	W206-V493 PolarHBondContact NE1-O 3.45Å; S208-V493 PolarHBondContact OG-N 3.29Å; T212-V493 HydrophobicContact CG2-CB 4.34Å; T212-V493 HydrophobicContact CG2-CG1 4.07Å; T212-V493 WeakPolarHBondContact CG2-O 3.38Å; C486-V493 HydrophobicContact CB-CG1 4.23Å; K487-V493 WeakPolarHBondContact O-CA 3.23Å; F488-V493 HydrophobicContact CD1-CB 4.3Å; F488-V493 HydrophobicContact CD1-CG1 3.74Å; F488-V493 HydrophobicContact CD1-CG2 3.55Å; F488-V493 HydrophobicContact CD2-CG1 4.31Å; F488-V493 HydrophobicContact CE1-CB 4.4Å; F488-V493 HydrophobicContact CE1-CG1 3.6Å; F488-V493 HydrophobicContact CE1-CG2 3.83Å; F488-V493 HydrophobicContact CE2-CG1 4.17Å; F488-V493 HydrophobicContact CG-CG1 4.1Å; F488-V493 HydrophobicContact CG-CG2 4.36Å; F488-V493 HydrophobicContact CZ-CG1 3.81Å
494	S	79.3	Confident	84.3	Confident	9 Å²	9	43.3 Å²	43.3	6%	0.063	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	147.9	179.5	59.7	0	0	0	0	111.1	C486 K487	C486-S494 CarbonylContact C-O 3.41Å; C486-S494 VanDerWaalsContact CA-O 3.23Å; C486-S494 WeakPolarHBondContact CA-O 3.49Å; K487-S494 PolarHBondContact N-O 3.25Å; K487-S494 PolarHBondContact O-N 2.89Å
495	R	79.9	Confident	85.4	Confident	134 Å²	134	39.2 Å²	39.2	51%	0.506	19%	0.187	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	142.6	169.2	-66	-177.2	-169.5	163.6	8.8	109.4	H211 T212 I484 W485	H211-R495 PolarHBondContact O-NE 3.11Å; H211-R495 PolarHBondContact O-NH2 2.99Å; T212-R495 HydrophobicContact CG2-CG 4.25Å; I484-R495 HydrophobicContact CG2-CG 3.97Å; W485-R495 WeakPolarHBondContact O-CA 3.4Å
496	C	78.8	Confident	85.7	Confident	19 Å²	19	40.6 Å²	40.6	13%	0.128	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	162.4	178.5	55.6	0	0	0	0	110.1	Y469 W485 E500	Y469-C496 HydrophobicContact CE1-CB 4.5Å; W485-C496 WeakPolarHBondContact CB-O 3.44Å; W485-C496 VanDerWaalsContact CB-SG 3.53Å; W485-C496 PolarHBondContact O-N 3.19Å; W485-C496 PolarHBondContact O-SG 2.81Å; C496-E500 VanDerWaalsContact CA-OE2 3.28Å; C496-E500 WeakPolarHBondContact CA-OE2 3.34Å; C496-E500 HydrophobicContact CB-CB 4.16Å; C496-E500 VanDerWaalsContact CB-OE2 3.23Å; C496-E500 WeakPolarHBondContact CB-OE2 3.49Å
497	T	81.6	Confident	85.7	Confident	69 Å²	69	41.1 Å²	41.1	42%	0.423	20%	0.198	S	C	.	.			trans	-76.3	166.2	173.8	60	0	0	0	0	111.2	E499 E500 A501	T497-E499 VanDerWaalsContact C-N 3.3Å; T497-E499 WeakPolarHBondContact CB-OE2 3.3Å; T497-E500 PolarHBondContact N-OE2 2.95Å; T497-E500 PolarHBondContact O-N 2.83Å; T497-E500 WeakPolarHBondContact OG1-CB 3.38Å; T497-E500 WeakPolarHBondContact OG1-CG 3.18Å; T497-E500 PolarHBondContact OG1-N 2.74Å; T497-E500 PolarHBondContact OG1-OE2 3.2Å; T497-E500 VanDerWaalsContact OG1-OE2 3.06Å; T497-A501 PolarHBondContact O-N 3.02Å
498	K	84.3	Confident	85.2	Confident	76 Å²	76	40.8 Å²	40.8	33%	0.33	21%	0.207	S	C	.	.	H	α-helix	trans	-67.1	-37.1	176.6	-176	-177.5	-176.6	178.6	0	111	D430 E500 A501 I502	D430-K498 WeakPolarHBondContact OD2-CE 3.44Å; D430-K498 IonicContact OD2-NZ 2.77Å; D430-K498 PolarHBondContact OD2-NZ 3.17Å; K498-E500 VanDerWaalsContact C-N 3.33Å; K498-A501 PolarHBondContact O-N 3.25Å; K498-I502 HydrophobicContact CD-CD1 4.42Å; K498-I502 HydrophobicContact CG-CD1 3.76Å; K498-I502 HydrophobicContact CG-CG1 4.4Å; K498-I502 WeakPolarHBondContact O-CB 3.41Å; K498-I502 PolarHBondContact O-N 3.16Å
499	E	85.3	Confident	83.9	Confident	88 Å²	88	46.5 Å²	46.5	41%	0.411	23%	0.233	S	C	.	.	H	α-helix	trans	-62.4	-41.7	178.3	-62.9	71.4	-156.1	0	0	110.5	T497 E503 H504	T497-E499 VanDerWaalsContact C-N 3.3Å; T497-E499 WeakPolarHBondContact CB-OE2 3.3Å; E499-E503 PolarHBondContact O-N 3.36Å; E499-H504 PolarHBondContact O-N 3.25Å
500	E	83.4	Confident	82.2	Confident	38 Å²	38	53.2 Å²	53.2	18%	0.178	27%	0.269	C	S	.	.	H	α-helix	trans	-64.6	-37.7	173.5	-75.1	168.2	151.1	0	0	113.5	C496 T497 K498 H504 N505	C496-E500 VanDerWaalsContact CA-OE2 3.28Å; C496-E500 WeakPolarHBondContact CA-OE2 3.34Å; C496-E500 HydrophobicContact CB-CB 4.16Å; C496-E500 VanDerWaalsContact CB-OE2 3.23Å; C496-E500 WeakPolarHBondContact CB-OE2 3.49Å; T497-E500 PolarHBondContact N-OE2 2.95Å; T497-E500 PolarHBondContact O-N 2.83Å; T497-E500 WeakPolarHBondContact OG1-CB 3.38Å; T497-E500 WeakPolarHBondContact OG1-CG 3.18Å; T497-E500 PolarHBondContact OG1-N 2.74Å; T497-E500 PolarHBondContact OG1-OE2 3.2Å; T497-E500 VanDerWaalsContact OG1-OE2 3.06Å; K498-E500 VanDerWaalsContact C-N 3.33Å; E500-H504 WeakPolarHBondContact CA-ND1 3.35Å; E500-N505 PolarHBondContact O-ND2 3Å
501	A	88.3	Confident	80.1	Confident	0 Å²	0	59 Å²	59	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-75.7	-32.6	179.6	0	0	0	0	0	113	Y469 W485 T497 K498 N505	Y469-A501 HydrophobicContact CD1-CB 3.95Å; Y469-A501 HydrophobicContact CG-CB 4.04Å; W485-A501 HydrophobicContact CB-CB 4.25Å; W485-A501 HydrophobicContact CD2-CB 3.61Å; W485-A501 HydrophobicContact CE3-CB 3.49Å; W485-A501 VanDerWaalsContact CE3-CB 3.49Å; W485-A501 HydrophobicContact CG-CB 3.97Å; W485-A501 HydrophobicContact CZ3-CB 4.07Å; T497-A501 PolarHBondContact O-N 3.02Å; K498-A501 PolarHBondContact O-N 3.25Å; A501-N505 VanDerWaalsContact C-ND2 3.31Å; A501-N505 PolarHBondContact O-ND2 3.13Å
502	I	91.6	Very high	78.6	Confident	7 Å²	7	62.9 Å²	62.9	4%	0.036	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	-112.9	-69	-170.6	-56.8	-179.5	0	0	0	111.1	F428 D430 L451 W485 K498 H504 N505 Y506	F428-I502 HydrophobicContact CD2-CG2 3.92Å; F428-I502 HydrophobicContact CE2-CB 4.14Å; F428-I502 HydrophobicContact CE2-CG1 4.37Å; F428-I502 HydrophobicContact CE2-CG2 3.64Å; F428-I502 HydrophobicContact CZ-CG2 4.35Å; F428-I502 WeakPolarHBondContact CZ-O 3.46Å; F428-I502 WeakPolarHBondContact O-CG2 3.47Å; D430-I502 HydrophobicContact CB-CD1 4.08Å; L451-I502 HydrophobicContact CD2-CD1 3.63Å; L451-I502 HydrophobicContact CD2-CG1 3.74Å; W485-I502 HydrophobicContact CZ2-CD1 4.19Å; W485-I502 HydrophobicContact CZ2-CG1 4.5Å; K498-I502 HydrophobicContact CD-CD1 4.42Å; K498-I502 HydrophobicContact CG-CD1 3.76Å; K498-I502 HydrophobicContact CG-CG1 4.4Å; K498-I502 WeakPolarHBondContact O-CB 3.41Å; K498-I502 PolarHBondContact O-N 3.16Å; I502-H504 PolarHBondContact O-N 2.74Å; I502-N505 PolarHBondContact O-N 3.47Å; I502-Y506 HydrophobicContact CG2-CE1 3.78Å; I502-Y506 WeakPolarHBondContact CG2-OH 3.26Å; I502-Y506 WeakPolarHBondContact O-CD1 3.25Å
503	E	89.9	Confident	77.1	Confident	111 Å²	111	71.5 Å²	71.5	52%	0.519	37%	0.366	S	S	.	.	G	3₁₀ helix	trans	-66.7	-40.4	-167.4	-60.4	-173.7	-171	0	0	112.9	E499 N505 Y506	E499-E503 PolarHBondContact O-N 3.36Å; E503-N505 PolarHBondContact O-N 2.65Å; E503-N505 VanDerWaalsContact O-N 3.14Å; E503-Y506 HydrophobicContact CB-CE2 4.17Å; E503-Y506 HydrophobicContact CG-CE2 4.16Å; E503-Y506 WeakPolarHBondContact O-CD2 3.43Å; E503-Y506 PolarHBondContact O-N 3.07Å
504	H	88.1	Confident	75.6	Confident	122 Å²	122	74.3 Å²	74.3	57%	0.565	39%	0.385	S	S	*	.	G	3₁₀ helix	trans	-66.1	-13.2	176.6	-67.8	168.7	0	0	0	113.3	E499 E500 I502	E499-H504 PolarHBondContact O-N 3.25Å; E500-H504 WeakPolarHBondContact CA-ND1 3.35Å; I502-H504 PolarHBondContact O-N 2.74Å
505	N	93	Very high	74.3	Confident	4 Å²	4	79.2 Å²	79.2	2%	0.021	41%	0.414	C	S	.	.	G	3₁₀ helix	trans	-104.7	9.9	-176.9	-62.8	-50.8	0	0	0	113.7	F428 V454 V456 E500 A501 I502 E503 N520 A521	F428-N505 HydrophobicContact CZ-CB 4.15Å; V454-N505 HydrophobicContact CG1-CB 4.45Å; V456-N505 HydrophobicContact CG2-CB 4.07Å; E500-N505 PolarHBondContact O-ND2 3Å; A501-N505 VanDerWaalsContact C-ND2 3.31Å; A501-N505 PolarHBondContact O-ND2 3.13Å; I502-N505 PolarHBondContact O-N 3.47Å; E503-N505 PolarHBondContact O-N 2.65Å; E503-N505 VanDerWaalsContact O-N 3.14Å; N505-N520 WeakPolarHBondContact O-CA 3.29Å; N505-A521 HydrophobicContact CB-CB 4.29Å; N505-A521 PolarHBondContact O-N 2.67Å
506	Y	93.1	Very high	73.1	Confident	31 Å²	31	78.9 Å²	78.9	12%	0.122	41%	0.413	C	S	.	.	S	Bend	trans	-69	-31.2	175.6	-65.3	-22.5	0	0	0	113.4	R409 R425 F426 E427 F428 I502 E503	R409-Y506 PolarHBondContact NH2-O 3.28Å; R425-Y506 CarbonylContact C-O 3.57Å; R425-Y506 WeakPolarHBondContact CA-O 3.37Å; F426-Y506 PolarHBondContact N-O 3.05Å; F426-Y506 WeakPolarHBondContact O-CA 3.32Å; F426-Y506 WeakPolarHBondContact O-CD1 3.49Å; E427-Y506 HydrophobicContact CB-CD1 4.49Å; E427-Y506 HydrophobicContact CB-CE1 4.28Å; E427-Y506 HydrophobicContact CB-CE2 4.29Å; E427-Y506 HydrophobicContact CG-CD2 3.93Å; E427-Y506 HydrophobicContact CG-CE2 3.95Å; E427-Y506 HydrophobicContact CG-CG 4.29Å; F428-Y506 AromaticContact CD1-CD1 3.75Å; F428-Y506 HydrophobicContact CD1-CD1 3.75Å; F428-Y506 AromaticContact CD1-CE1 3.83Å; F428-Y506 HydrophobicContact CD1-CE1 3.83Å; F428-Y506 HydrophobicContact CD2-CE1 4.34Å; F428-Y506 AromaticContact CE1-CD1 3.56Å; F428-Y506 HydrophobicContact CE1-CD1 3.56Å; F428-Y506 AromaticContact CE1-CE1 3.87Å; F428-Y506 HydrophobicContact CE1-CE1 3.87Å; F428-Y506 HydrophobicContact CE2-CE1 4.38Å; F428-Y506 HydrophobicContact CG-CD1 4.45Å; F428-Y506 HydrophobicContact CG-CE1 4.07Å; F428-Y506 HydrophobicContact CZ-CD1 4.12Å; F428-Y506 HydrophobicContact CZ-CE1 4.14Å; F428-Y506 PolarHBondContact O-OH 2.74Å; I502-Y506 HydrophobicContact CG2-CE1 3.78Å; I502-Y506 WeakPolarHBondContact CG2-OH 3.26Å; I502-Y506 WeakPolarHBondContact O-CD1 3.25Å; E503-Y506 HydrophobicContact CB-CE2 4.17Å; E503-Y506 HydrophobicContact CG-CE2 4.16Å; E503-Y506 WeakPolarHBondContact O-CD2 3.43Å; E503-Y506 PolarHBondContact O-N 3.07Å
507	G	87.4	Confident	72.2	Confident	12 Å²	12	80.3 Å²	80.3	12%	0.124	42%	0.418	C	S	.	.			trans	88.8	-172.8	-172.8	0	0	0	0	0	113.8	R425	R425-G507 WeakPolarHBondContact CB-O 3.41Å; R425-G507 WeakPolarHBondContact CG-O 3.48Å
508	G	78.8	Confident	71.9	Confident	36 Å²	36	78.4 Å²	78.4	37%	0.371	41%	0.407	S	S	.	.			trans	67.4	31.6	175.5	0	0	0	0	0	116	N423	N423-G508 PolarHBondContact O-N 3.04Å
509	H	64.8	Low	71.9	Confident	124 Å²	124	76.2 Å²	76.2	57%	0.574	40%	0.4	S	S	*	.			trans	-69.2	135.2	158.3	-95.3	53.1	0	0	0	107.9	H517	H509-H517 VanDerWaalsContact C-CE1 3.43Å; H509-H517 PolarHBondContact O-CE1 3.08Å; H509-H517 PolarHBondContact O-ND1 2.62Å
510	D	51.8	Low	72.3	Confident	156 Å²	156	72 Å²	72	83%	0.834	38%	0.38	S	S	*	.			trans	-117.6	0.2	174.3	-98.5	-27.7	0	0	0	111.8
511	D	46.1	Very low	72.8	Confident	136 Å²	136	70.2 Å²	70.2	73%	0.727	37%	0.372	S	S	*	.	S	Bend	trans	-93.1	115.1	179.2	-72.3	-30	0	0	0	111.4	H517	D511-H517 PolarHBondContact O-NE2 3.04Å; D511-H517 VanDerWaalsContact O-NE2 3.07Å
512	D	46.2	Very low	73	Confident	142 Å²	142	70.4 Å²	70.4	76%	0.759	37%	0.373	S	S	*	.	S	Bend	trans	59	125.5	170.8	-80.3	-21.6	0	0	0	119.6	S514 H517	D512-S514 PolarHBondContact O-N 3.19Å; D512-S514 PolarHBondContact O-OG 3.4Å; D512-H517 PolarHBondContact O-CD2 3.43Å; D512-H517 PolarHBondContact O-NE2 3.3Å
513	L	44.9	Very low	73.2	Confident	188 Å²	188	70.2 Å²	70.2	98%	0.984	37%	0.372	S	S	*	.	S	Bend	trans	-24.6	29.8	167.4	-96	141.1	0	0	0	120.4
514	S	51.6	Low	73.5	Confident	59 Å²	59	64.9 Å²	64.9	41%	0.413	35%	0.347	S	S	.	.	S	Bend	trans	-94.4	155	-179	71.9	0	0	0	0	111.7	D512 R516 H517	D512-S514 PolarHBondContact O-N 3.19Å; D512-S514 PolarHBondContact O-OG 3.4Å; S514-R516 PolarHBondContact O-N 3.12Å; S514-H517 PolarHBondContact O-CD2 3.37Å; S514-H517 PolarHBondContact O-N 3.43Å; S514-H517 VanDerWaalsContact O-N 3.16Å
515	V	50.7	Low	73.9	Confident	112 Å²	112	59.1 Å²	59.1	68%	0.679	32%	0.32	S	S	*	.	G	3₁₀ helix	trans	-57.7	-19.4	179.1	-179	0	0	0	0	112.8	H517 C518	V515-H517 PolarHBondContact O-N 2.95Å; V515-C518 PolarHBondContact O-N 3.32Å; V515-C518 PolarHBondContact O-SG 2.79Å
516	R	54.6	Low	74.1	Confident	127 Å²	127	58.9 Å²	58.9	48%	0.479	32%	0.319	S	S	.	.	G	3₁₀ helix	trans	-62.3	-21.5	177.4	-71	-173.4	177.1	178.9	0.7	113.7	Q136 S514 C518 T519	Q136-R516 VanDerWaalsContact CD-NH2 3.31Å; S514-R516 PolarHBondContact O-N 3.12Å; R516-C518 PolarHBondContact O-N 3.19Å; R516-T519 PolarHBondContact O-N 3.26Å
517	H	61.3	Low	74.2	Confident	48 Å²	48	57.5 Å²	57.5	22%	0.222	31%	0.313	C	S	.	.	G	3₁₀ helix	trans	-59.1	-30.5	176.4	-80.7	-65.1	0	0	0	113.8	H509 D511 D512 S514 V515	H509-H517 VanDerWaalsContact C-CE1 3.43Å; H509-H517 PolarHBondContact O-CE1 3.08Å; H509-H517 PolarHBondContact O-ND1 2.62Å; D511-H517 PolarHBondContact O-NE2 3.04Å; D511-H517 VanDerWaalsContact O-NE2 3.07Å; D512-H517 PolarHBondContact O-CD2 3.43Å; D512-H517 PolarHBondContact O-NE2 3.3Å; S514-H517 PolarHBondContact O-CD2 3.37Å; S514-H517 PolarHBondContact O-N 3.43Å; S514-H517 VanDerWaalsContact O-N 3.16Å; V515-H517 PolarHBondContact O-N 2.95Å
518	C	73.8	Confident	74.6	Confident	30 Å²	30	58.3 Å²	58.3	20%	0.203	31%	0.313	C	S	.	.	G	3₁₀ helix	trans	-111.7	15.1	-175.6	64.6	0	0	0	0	113.5	K421 H457 S458 G459 V515 R516	K421-C518 PolarHBondContact NZ-O 3.3Å; H457-C518 VanDerWaalsContact O-O 3.05Å; S458-C518 WeakPolarHBondContact CA-O 3.47Å; G459-C518 PolarHBondContact N-O 2.82Å; G459-C518 PolarHBondContact N-SG 2.9Å; G459-C518 WeakPolarHBondContact O-CB 3.44Å; V515-C518 PolarHBondContact O-N 3.32Å; V515-C518 PolarHBondContact O-SG 2.79Å; R516-C518 PolarHBondContact O-N 3.19Å
519	T	86	Confident	75.2	Confident	29 Å²	29	59.8 Å²	59.8	18%	0.178	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	115.8	174.8	-60.9	0	0	0	0	110.2	V456 S458 R516	V456-T519 HydrophobicContact CG1-CG2 3.49Å; V456-T519 VanDerWaalsContact CG1-CG2 3.49Å; S458-T519 WeakPolarHBondContact CB-OG1 3.47Å; S458-T519 VanDerWaalsContact OG-CG2 3.3Å; S458-T519 WeakPolarHBondContact OG-CG2 3.47Å; S458-T519 PolarHBondContact OG-OG1 3.05Å; R516-T519 PolarHBondContact O-N 3.26Å
520	N	91.8	Very high	76.5	Confident	0 Å²	0	57.1 Å²	57.1	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.4	160.1	176.3	43.4	49.1	0	0	0	112.2	R409 K421 N423 V456 H457 N505 Y522	R409-N520 WeakPolarHBondContact CD-OD1 3.44Å; R409-N520 PolarHBondContact NE-OD1 3.5Å; K421-N520 VanDerWaalsContact CE-OD1 3.23Å; K421-N520 WeakPolarHBondContact CE-OD1 3.48Å; K421-N520 VanDerWaalsContact NZ-CG 3.33Å; K421-N520 PolarHBondContact NZ-ND2 3.26Å; K421-N520 PolarHBondContact NZ-OD1 2.93Å; N423-N520 WeakPolarHBondContact CA-ND2 3.5Å; N423-N520 PolarHBondContact OD1-ND2 3.36Å; V456-N520 WeakPolarHBondContact CA-O 3.44Å; H457-N520 PolarHBondContact N-O 3.31Å; H457-N520 PolarHBondContact O-N 3.22Å; N505-N520 WeakPolarHBondContact O-CA 3.29Å; N520-Y522 PolarHBondContact O-N 3.3Å
521	A	94.9	Very high	78.4	Confident	0 Å²	0	53.2 Å²	53.2	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.6	130.5	178	0	0	0	0	0	110.8	L407 R409 F428 V454 L455 N505 L524	L407-A521 HydrophobicContact CD1-CB 4.24Å; L407-A521 WeakPolarHBondContact CD1-O 3.49Å; R409-A521 VanDerWaalsContact CD-O 3.23Å; R409-A521 WeakPolarHBondContact CD-O 3.41Å; R409-A521 PolarHBondContact NE-O 2.94Å; F428-A521 HydrophobicContact CD1-CB 4.38Å; F428-A521 HydrophobicContact CE1-CB 3.48Å; F428-A521 VanDerWaalsContact CE1-CB 3.48Å; F428-A521 HydrophobicContact CZ-CB 3.76Å; V454-A521 HydrophobicContact CG1-CB 3.74Å; L455-A521 CarbonylContact O-C 3.08Å; L455-A521 WeakPolarHBondContact O-CA 3.29Å; N505-A521 HydrophobicContact CB-CB 4.29Å; N505-A521 PolarHBondContact O-N 2.67Å; A521-L524 HydrophobicContact CB-CD2 4.07Å
522	Y	92.3	Very high	80.5	Confident	4 Å²	4	48.2 Å²	48.2	2%	0.016	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	-39.9	178.5	-178.5	-108	0	0	0	112.1	D296 V297 Q406 L407 R409 F410 L455 Y466 N520	D296-Y522 WeakPolarHBondContact OD1-CE1 3.22Å; D296-Y522 PolarHBondContact OD1-OH 2.78Å; D296-Y522 VanDerWaalsContact OD1-OH 3.1Å; D296-Y522 PolarHBondContact OD2-OH 3.1Å; V297-Y522 HydrophobicContact CG1-CD1 3.5Å; V297-Y522 HydrophobicContact CG1-CE1 3.57Å; Q406-Y522 PolarHBondContact NE2-OH 3.39Å; L407-Y522 WeakPolarHBondContact CB-O 3.29Å; L407-Y522 PolarHBondContact N-O 3.42Å; R409-Y522 HydrophobicContact CB-CD2 4.22Å; F410-Y522 HydrophobicContact CD2-CD2 4.31Å; F410-Y522 AromaticContact CD2-CE2 3.52Å; F410-Y522 HydrophobicContact CD2-CE2 3.52Å; F410-Y522 AromaticContact CE2-CD2 3.81Å; F410-Y522 HydrophobicContact CE2-CD2 3.81Å; F410-Y522 AromaticContact CE2-CE2 3.37Å; F410-Y522 HydrophobicContact CE2-CE2 3.37Å; L455-Y522 PolarHBondContact O-N 3.09Å; Y466-Y522 HydrophobicContact CE1-CD1 4.3Å; N520-Y522 PolarHBondContact O-N 3.3Å
523	M	95.4	Very high	82.5	Confident	3 Å²	3	46.6 Å²	46.6	2%	0.015	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	139.2	179.8	-178.1	-175.2	-179.9	0	0	109.7	V297 H404 L405 L455	V297-M523 HydrophobicContact CG1-SD 4.33Å; H404-M523 HydrophobicContact CB-CE 3.68Å; H404-M523 VanDerWaalsContact CG-CE 3.49Å; H404-M523 WeakPolarHBondContact ND1-CE 3.34Å; L405-M523 WeakPolarHBondContact O-CA 3.43Å; L455-M523 HydrophobicContact CB-CB 4.1Å; L455-M523 HydrophobicContact CD1-CB 4.41Å; L455-M523 HydrophobicContact CD1-CG 4.49Å; L455-M523 HydrophobicContact CD2-CB 4.44Å; L455-M523 HydrophobicContact CD2-SD 4.19Å; L455-M523 PolarHBondContact N-O 2.97Å; L455-M523 PolarHBondContact O-N 3.03Å
524	L	97.3	Very high	84.7	Confident	0 Å²	0	40.9 Å²	40.9	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	141.8	-179.8	-56.4	171.6	0	0	0	109.8	I361 L405 L407 F428 L451 V454 A521 Y526	I361-L524 HydrophobicContact CD1-CD1 3.59Å; L405-L524 HydrophobicContact CB-CB 4.33Å; L405-L524 PolarHBondContact N-O 3.4Å; L405-L524 PolarHBondContact O-N 3.44Å; L407-L524 HydrophobicContact CD1-CD1 4.12Å; L407-L524 HydrophobicContact CD1-CG 4.32Å; L407-L524 HydrophobicContact CD2-CD1 4.36Å; L407-L524 HydrophobicContact CG-CD1 4.49Å; F428-L524 HydrophobicContact CB-CD1 3.6Å; F428-L524 HydrophobicContact CD1-CD1 4.05Å; F428-L524 HydrophobicContact CD1-CD2 4.3Å; F428-L524 HydrophobicContact CD2-CD1 4.08Å; F428-L524 HydrophobicContact CD2-CD2 3.84Å; F428-L524 HydrophobicContact CE1-CD2 4.29Å; F428-L524 HydrophobicContact CE2-CD2 3.82Å; F428-L524 HydrophobicContact CG-CD1 3.66Å; F428-L524 HydrophobicContact CG-CD2 4.09Å; F428-L524 HydrophobicContact CZ-CD2 4.06Å; L451-L524 HydrophobicContact CD1-CB 4.37Å; L451-L524 HydrophobicContact CD1-CD2 4.34Å; V454-L524 HydrophobicContact CB-CD2 4.23Å; V454-L524 HydrophobicContact CG1-CD2 3.81Å; V454-L524 HydrophobicContact CG2-CD2 4.04Å; A521-L524 HydrophobicContact CB-CD2 4.07Å; L524-Y526 HydrophobicContact CB-CD2 4.2Å; L524-Y526 HydrophobicContact CB-CE2 3.75Å; L524-Y526 HydrophobicContact CD1-CE2 4.09Å
525	V	97.1	Very high	86.7	Confident	0 Å²	0	38.1 Å²	38.1	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	124.1	175.5	-178.5	0	0	0	0	109.3	T232 I402 L403 H452 A453 L455	T232-V525 HydrophobicContact CG2-CB 4.43Å; T232-V525 HydrophobicContact CG2-CG2 3.68Å; I402-V525 HydrophobicContact CG2-CG1 3.73Å; L403-V525 WeakPolarHBondContact O-CA 3.37Å; H452-V525 WeakPolarHBondContact CA-O 3.4Å; H452-V525 PolarHBondContact N-O 3.09Å; A453-V525 HydrophobicContact CB-CB 3.79Å; A453-V525 HydrophobicContact CB-CG2 4.05Å; A453-V525 PolarHBondContact N-O 3.02Å; A453-V525 VanDerWaalsContact N-O 3.13Å; A453-V525 PolarHBondContact O-N 3.19Å; L455-V525 HydrophobicContact CD1-CG2 4.32Å
526	Y	96.5	Very high	88.6	Confident	0 Å²	0	33.7 Å²	33.7	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	145.5	178.7	-77.2	-92.7	0	0	0	110.5	I361 I402 L403 L405 P429 L432 I450 L451 L524	I361-Y526 HydrophobicContact CD1-CE2 4.28Å; I402-Y526 WeakPolarHBondContact CA-O 3.34Å; L403-Y526 PolarHBondContact N-O 3.49Å; L403-Y526 PolarHBondContact O-N 3.09Å; L405-Y526 HydrophobicContact CD1-CD2 3.82Å; L405-Y526 HydrophobicContact CD1-CE2 3.77Å; L405-Y526 HydrophobicContact CG-CD2 4.38Å; P429-Y526 WeakPolarHBondContact O-CE1 3.33Å; P429-Y526 PolarHBondContact O-OH 2.88Å; L432-Y526 HydrophobicContact CB-CD1 3.96Å; L432-Y526 HydrophobicContact CB-CE1 3.63Å; L432-Y526 HydrophobicContact CD2-CD1 4.29Å; L432-Y526 HydrophobicContact CD2-CD2 4.34Å; L432-Y526 HydrophobicContact CD2-CE1 4.09Å; L432-Y526 HydrophobicContact CD2-CE2 4.14Å; L432-Y526 HydrophobicContact CD2-CG 4.41Å; L432-Y526 HydrophobicContact CG-CE1 4.49Å; I450-Y526 CarbonylContact O-C 3.58Å; I450-Y526 WeakPolarHBondContact O-CA 3.13Å; L451-Y526 HydrophobicContact CB-CD1 4.12Å; L451-Y526 HydrophobicContact CB-CE1 3.76Å; L451-Y526 HydrophobicContact CD1-CD1 4.27Å; L451-Y526 HydrophobicContact CD1-CD2 4.13Å; L451-Y526 HydrophobicContact CD1-CE1 3.83Å; L451-Y526 HydrophobicContact CD1-CE2 3.67Å; L451-Y526 HydrophobicContact CD1-CG 4.41Å; L451-Y526 HydrophobicContact CG-CE1 4.37Å; L524-Y526 HydrophobicContact CB-CD2 4.2Å; L524-Y526 HydrophobicContact CB-CE2 3.75Å; L524-Y526 HydrophobicContact CD1-CE2 4.09Å
527	I	95.8	Very high	90.2	Very high	1 Å²	1	29.8 Å²	29.8	1%	0.005	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	134	175.6	-59.4	174	0	0	0	109.3	P401 Y449 I450 H452 E529 L532 V535 L536	P401-I527 WeakPolarHBondContact O-CA 3.4Å; Y449-I527 WeakPolarHBondContact CA-O 3.3Å; I450-I527 PolarHBondContact N-O 3.17Å; I450-I527 PolarHBondContact O-N 2.83Å; H452-I527 HydrophobicContact CB-CD1 3.77Å; H452-I527 HydrophobicContact CB-CG1 3.9Å; H452-I527 VanDerWaalsContact CG-CD1 3.48Å; I527-E529 PolarHBondContact O-N 2.94Å; I527-L532 HydrophobicContact CB-CD1 4.03Å; I527-L532 HydrophobicContact CD1-CD1 4.39Å; I527-L532 HydrophobicContact CG2-CD1 3.81Å; I527-V535 HydrophobicContact CD1-CG1 3.99Å; I527-V535 HydrophobicContact CG2-CB 4.18Å; I527-V535 HydrophobicContact CG2-CG1 4.32Å; I527-V535 HydrophobicContact CG2-CG2 4.26Å; I527-L536 HydrophobicContact CD1-CD1 4.09Å; I527-L536 HydrophobicContact CD1-CD2 3.83Å; I527-L536 HydrophobicContact CD1-CG 3.98Å
528	R	94.8	Very high	91.4	Very high	30 Å²	30	33 Å²	33	11%	0.113	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.3	130.1	177.9	-166.1	176.6	-173.3	156.5	-1.8	110.2	F399 P401 D445 P446 Y449 S530 K531 L532	F399-R528 PolarHBondContact O-NH1 2.77Å; P401-R528 PolarHBondContact O-N 2.97Å; D445-R528 VanDerWaalsContact CG-CZ 3.44Å; D445-R528 PolarHBondContact O-NH2 3.4Å; D445-R528 IonicContact OD1-CZ 2.79Å; D445-R528 IonicContact OD1-NE 2.65Å; D445-R528 PolarHBondContact OD1-NE 2.96Å; D445-R528 IonicContact OD1-NH2 2.72Å; D445-R528 PolarHBondContact OD1-NH2 3.05Å; D445-R528 IonicContact OD2-CZ 4Å; D445-R528 IonicContact OD2-NE 3.36Å; D445-R528 IonicContact OD2-NH1 3.19Å; D445-R528 IonicContact OD2-NH2 3.02Å; D445-R528 PolarHBondContact OD2-NH2 3.11Å; D445-R528 VanDerWaalsContact OD2-NH2 3.16Å; P446-R528 PolarHBondContact O-NE 3.34Å; Y449-R528 HydrophobicContact CD1-CB 4.17Å; Y449-R528 HydrophobicContact CE1-CB 3.67Å; Y449-R528 HydrophobicContact CE1-CG 4.36Å; Y449-R528 HydrophobicContact CE2-CB 4.47Å; Y449-R528 HydrophobicContact CE2-CG 4.28Å; R528-S530 VanDerWaalsContact C-N 3.29Å; R528-S530 PolarHBondContact O-N 3.47Å; R528-K531 HydrophobicContact CB-CB 4.35Å; R528-K531 HydrophobicContact CB-CG 4.46Å; R528-K531 CarbonylContact O-C 3.53Å; R528-K531 PolarHBondContact O-N 3.49Å; R528-L532 PolarHBondContact O-N 2.95Å
529	E	91.4	Very high	92	Very high	66 Å²	66	32.9 Å²	32.9	31%	0.308	19%	0.185	S	C	.	.	G	3₁₀ helix	trans	-56.2	-42.3	-174.5	-179.8	170.8	-146.8	0	0	112.4	N448 I450 K477 I527 K531 L532	N448-E529 HydrophobicContact CB-CB 4.33Å; N448-E529 WeakPolarHBondContact O-CB 3.43Å; N448-E529 PolarHBondContact O-N 3.31Å; I450-E529 HydrophobicContact CD1-CB 4.17Å; I450-E529 HydrophobicContact CD1-CG 4.08Å; I450-E529 HydrophobicContact CG1-CB 4.48Å; K477-E529 IonicContact NZ-OE1 2.67Å; K477-E529 PolarHBondContact NZ-OE1 2.81Å; K477-E529 IonicContact NZ-OE2 2.73Å; I527-E529 PolarHBondContact O-N 2.94Å; E529-K531 PolarHBondContact O-N 3.3Å; E529-L532 WeakPolarHBondContact O-CB 3.42Å; E529-L532 PolarHBondContact O-N 3.37Å
530	S	91.6	Very high	92.2	Very high	69 Å²	69	35.3 Å²	35.3	48%	0.483	20%	0.199	S	C	.	.	G	3₁₀ helix	trans	-66.3	-18.8	178.2	62	0	0	0	0	114.4	D445 R528	D445-S530 WeakPolarHBondContact OD1-CB 2.9Å; D445-S530 PolarHBondContact OD1-OG 3.35Å; R528-S530 VanDerWaalsContact C-N 3.29Å; R528-S530 PolarHBondContact O-N 3.47Å
531	K	93.1	Very high	92	Very high	74 Å²	74	40.4 Å²	40.4	32%	0.322	23%	0.226	S	C	.	.	G	3₁₀ helix	trans	-110.4	-1.6	-177.7	-61.2	-57.7	-172.7	176.5	0	113.5	P401 R528 E529 S533 E534 V535	P401-K531 HydrophobicContact CB-CB 4.13Å; P401-K531 HydrophobicContact CB-CG 4.24Å; P401-K531 HydrophobicContact CG-CG 4.43Å; R528-K531 HydrophobicContact CB-CB 4.35Å; R528-K531 HydrophobicContact CB-CG 4.46Å; R528-K531 CarbonylContact O-C 3.53Å; R528-K531 PolarHBondContact O-N 3.49Å; E529-K531 PolarHBondContact O-N 3.3Å; K531-S533 VanDerWaalsContact C-N 3.34Å; K531-S533 PolarHBondContact O-N 3.47Å; K531-E534 IonicContact NZ-OE2 3.51Å; K531-E534 PolarHBondContact NZ-OE2 2.81Å; K531-E534 PolarHBondContact O-N 2.8Å; K531-V535 HydrophobicContact CB-CG2 4.34Å; K531-V535 WeakPolarHBondContact O-CG2 3.47Å; K531-V535 PolarHBondContact O-N 2.88Å
532	L	89.9	Confident	91.7	Very high	30 Å²	30	43.9 Å²	43.9	16%	0.157	26%	0.262	C	S	.	.	H	α-helix	trans	-53.6	-48.3	-175.6	-170.2	72.1	0	0	0	112.4	I450 I527 R528 E529 E534 V535 L536	I450-L532 HydrophobicContact CD1-CD2 3.95Å; I527-L532 HydrophobicContact CB-CD1 4.03Å; I527-L532 HydrophobicContact CD1-CD1 4.39Å; I527-L532 HydrophobicContact CG2-CD1 3.81Å; R528-L532 PolarHBondContact O-N 2.95Å; E529-L532 WeakPolarHBondContact O-CB 3.42Å; E529-L532 PolarHBondContact O-N 3.37Å; L532-E534 VanDerWaalsContact C-N 3.33Å; L532-E534 PolarHBondContact O-N 2.79Å; L532-V535 PolarHBondContact O-N 3.35Å; L532-L536 HydrophobicContact CD1-CD1 3.62Å; L532-L536 HydrophobicContact CD1-CG 4.31Å; L532-L536 HydrophobicContact CG-CD1 4.21Å; L532-L536 WeakPolarHBondContact O-CB 3.42Å; L532-L536 PolarHBondContact O-N 2.83Å
533	S	88.3	Confident	91.6	Very high	109 Å²	109	44.7 Å²	44.7	76%	0.762	27%	0.267	S	S	*	.	H	α-helix	trans	-68.5	-27.7	-179.8	-50.4	0	0	0	0	113.8	K531 Q537	K531-S533 VanDerWaalsContact C-N 3.34Å; K531-S533 PolarHBondContact O-N 3.47Å; S533-Q537 PolarHBondContact O-N 2.97Å
534	E	90.8	Very high	91.5	Very high	68 Å²	68	45.1 Å²	45.1	32%	0.318	27%	0.269	S	S	.	.	H	α-helix	trans	-74.9	-46.4	175.7	-171.6	-173.1	161.3	0	0	110.3	Q238 K323 K531 L532	Q238-E534 PolarHBondContact NE2-OE1 2.66Å; K323-E534 IonicContact NZ-OE1 3.1Å; K323-E534 PolarHBondContact NZ-OE1 3.23Å; K531-E534 IonicContact NZ-OE2 3.51Å; K531-E534 PolarHBondContact NZ-OE2 2.81Å; K531-E534 PolarHBondContact O-N 2.8Å; L532-E534 VanDerWaalsContact C-N 3.33Å; L532-E534 PolarHBondContact O-N 2.79Å
535	V	92.7	Very high	91.4	Very high	0 Å²	0	47 Å²	47	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-69.6	-43.5	-176.8	174	0	0	0	0	111.5	T236 N237 Q238 L324 P401 I402 I527 K531 L532	T236-V535 HydrophobicContact CG2-CG1 4.19Å; N237-V535 WeakPolarHBondContact CB-O 3.43Å; N237-V535 PolarHBondContact N-O 2.86Å; Q238-V535 PolarHBondContact N-O 2.89Å; L324-V535 HydrophobicContact CD2-CG2 4.25Å; P401-V535 HydrophobicContact CB-CG2 4.19Å; I402-V535 HydrophobicContact CD1-CG1 3.74Å; I402-V535 HydrophobicContact CG1-CG1 4Å; I402-V535 HydrophobicContact CG1-CG2 4.29Å; I527-V535 HydrophobicContact CD1-CG1 3.99Å; I527-V535 HydrophobicContact CG2-CB 4.18Å; I527-V535 HydrophobicContact CG2-CG1 4.32Å; I527-V535 HydrophobicContact CG2-CG2 4.26Å; K531-V535 HydrophobicContact CB-CG2 4.34Å; K531-V535 WeakPolarHBondContact O-CG2 3.47Å; K531-V535 PolarHBondContact O-N 2.88Å; L532-V535 PolarHBondContact O-N 3.35Å
536	L	91.6	Very high	91.2	Very high	19 Å²	19	53.6 Å²	53.6	10%	0.099	31%	0.312	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.1	23.9	-176.4	-59.3	-175.9	0	0	0	113.3	F235 N237 I527 L532	F235-L536 VanDerWaalsContact O-CD2 3.28Å; F235-L536 WeakPolarHBondContact O-CD2 3.41Å; N237-L536 PolarHBondContact ND2-O 3.37Å; N237-L536 VanDerWaalsContact ND2-O 3.15Å; I527-L536 HydrophobicContact CD1-CD1 4.09Å; I527-L536 HydrophobicContact CD1-CD2 3.83Å; I527-L536 HydrophobicContact CD1-CG 3.98Å; L532-L536 HydrophobicContact CD1-CD1 3.62Å; L532-L536 HydrophobicContact CD1-CG 4.31Å; L532-L536 HydrophobicContact CG-CD1 4.21Å; L532-L536 WeakPolarHBondContact O-CB 3.42Å; L532-L536 PolarHBondContact O-N 2.83Å
537	Q	88.3	Confident	90.9	Very high	46 Å²	46	59.3 Å²	59.3	22%	0.215	34%	0.339	C	S	.	.	P	Polyproline II helix	trans	-48.6	139.2	176.7	65.9	-175.8	-22.6	0	0	111.7	N237 S533 M539	N237-Q537 HydrophobicContact CB-CG 4.4Å; N237-Q537 WeakPolarHBondContact CB-O 3.49Å; N237-Q537 PolarHBondContact ND2-O 3.25Å; S533-Q537 PolarHBondContact O-N 2.97Å; Q537-M539 PolarHBondContact O-N 3.29Å
538	P	86.6	Confident	90.8	Very high	115 Å²	115	59.8 Å²	59.8	75%	0.747	34%	0.341	S	S	*	.	P	Polyproline II helix	trans	-62.8	134.7	178.8	26.1	-33	0	0	0	109.8
539	M	86.8	Confident	90.7	Very high	28 Å²	28	59.8 Å²	59.8	14%	0.138	35%	0.345	C	S	.	.	P	Polyproline II helix	trans	-97.3	136.8	176.5	-76.4	-70	-67.5	0	0	109.9	N237 R240 R241 Y244 Q537 D543	N237-M539 HydrophobicContact CB-CG 4.1Å; R240-M539 HydrophobicContact CG-CE 4.42Å; R241-M539 HydrophobicContact CB-CE 4.01Å; R241-M539 HydrophobicContact CB-SD 3.66Å; R241-M539 HydrophobicContact CG-CE 4.27Å; R241-M539 HydrophobicContact CG-SD 4Å; Y244-M539 HydrophobicContact CD2-CE 3.55Å; Y244-M539 HydrophobicContact CE2-CE 3.62Å; Q537-M539 PolarHBondContact O-N 3.29Å; M539-D543 HydrophobicContact CE-CB 3.78Å; M539-D543 HydrophobicContact SD-CB 4.23Å
540	T	89.6	Confident	90.8	Very high	80 Å²	80	61.7 Å²	61.7	49%	0.491	35%	0.354	S	S	.	.			trans	-121.1	165.3	174.7	65	0	0	0	0	110.7	G542 D543	T540-G542 PolarHBondContact O-N 3.26Å; T540-D543 PolarHBondContact N-OD2 3.46Å; T540-D543 WeakPolarHBondContact O-CB 3.4Å; T540-D543 PolarHBondContact O-N 3.05Å; T540-D543 PolarHBondContact OG1-OD2 3.2Å
541	D	87.5	Confident	90.9	Very high	106 Å²	106	61.1 Å²	61.1	57%	0.567	34%	0.341	S	S	*	.	G	3₁₀ helix	trans	-66.5	-20.3	178.3	-58.7	-15.3	0	0	0	112.2	Q269 H270 D543 I544	Q269-D541 PolarHBondContact NE2-OD1 2.98Å; Q269-D541 VanDerWaalsContact NE2-OD1 3.09Å; H270-D541 IonicContact CE1-OD1 3.8Å; H270-D541 IonicContact NE2-OD1 3.56Å; H270-D541 PolarHBondContact NE2-OD1 3.05Å; H270-D541 IonicContact NE2-OD2 2.7Å; D541-D543 PolarHBondContact O-N 3.18Å; D541-I544 PolarHBondContact O-N 3.03Å
542	G	87.8	Confident	90.9	Very high	73 Å²	73	57.8 Å²	57.8	75%	0.753	33%	0.326	S	S	*	.	G	3₁₀ helix	trans	-69.6	-15.3	172.6	0	0	0	0	0	114.3	T540 I544	T540-G542 PolarHBondContact O-N 3.26Å; G542-I544 VanDerWaalsContact C-N 3.25Å
543	D	90.4	Very high	91	Very high	22 Å²	22	60.1 Å²	60.1	12%	0.118	34%	0.337	C	S	.	.	G	3₁₀ helix	trans	-82.7	-2	174.6	-64.1	-69.4	0	0	0	112.8	R241 M245 M539 T540 D541	R241-D543 IonicContact CZ-OD1 2.77Å; R241-D543 IonicContact NE-OD1 2.67Å; R241-D543 PolarHBondContact NE-OD1 3.05Å; R241-D543 IonicContact NH2-OD1 3.77Å; R241-D543 PolarHBondContact NH2-OD1 3.28Å; M245-D543 VanDerWaalsContact CE-O 3.26Å; M245-D543 WeakPolarHBondContact CE-O 3.35Å; M539-D543 HydrophobicContact CE-CB 3.78Å; M539-D543 HydrophobicContact SD-CB 4.23Å; T540-D543 PolarHBondContact N-OD2 3.46Å; T540-D543 WeakPolarHBondContact O-CB 3.4Å; T540-D543 PolarHBondContact O-N 3.05Å; T540-D543 PolarHBondContact OG1-OD2 3.2Å; D541-D543 PolarHBondContact O-N 3.18Å
544	I	94	Very high	91.1	Very high	11 Å²	11	59.4 Å²	59.4	6%	0.056	32%	0.321	C	S	.	.	S	Bend	trans	-105.6	122.2	-178.4	-50.7	179.3	0	0	0	108.8	Y244 Y266 D541 G542 Q546 L548 V549	Y244-I544 HydrophobicContact CD1-CG2 4.47Å; Y244-I544 HydrophobicContact CD2-CD1 4.5Å; Y244-I544 HydrophobicContact CD2-CG1 3.89Å; Y244-I544 HydrophobicContact CE2-CD1 4.07Å; Y244-I544 HydrophobicContact CE2-CG1 3.94Å; Y244-I544 HydrophobicContact CG-CG1 4.29Å; Y266-I544 HydrophobicContact CD2-CD1 4.07Å; Y266-I544 HydrophobicContact CD2-CG2 4.36Å; Y266-I544 HydrophobicContact CE2-CD1 4.39Å; D541-I544 PolarHBondContact O-N 3.03Å; G542-I544 VanDerWaalsContact C-N 3.25Å; I544-Q546 PolarHBondContact O-N 3.21Å; I544-L548 HydrophobicContact CG2-CD2 4.14Å; I544-V549 HydrophobicContact CB-CG2 4.27Å; I544-V549 HydrophobicContact CG2-CG2 3.67Å
545	P	94.2	Very high	91	Very high	40 Å²	40	57.5 Å²	57.5	26%	0.26	31%	0.313	S	S	.	.			trans	-56.8	131.7	177.2	-27.3	36	0	0	0	112.4	Y244 M245 Q547 L548 V549	Y244-P545 WeakPolarHBondContact O-CD 3.46Å; Y244-P545 WeakPolarHBondContact O-CG 3.3Å; M245-P545 HydrophobicContact SD-CG 3.82Å; P545-Q547 PolarHBondContact O-N 2.83Å; P545-L548 HydrophobicContact CB-CB 4.44Å; P545-L548 WeakPolarHBondContact O-CB 3.13Å; P545-L548 PolarHBondContact O-N 3.14Å; P545-V549 PolarHBondContact O-N 3.01Å
546	Q	92.7	Very high	90.7	Very high	139 Å²	139	61.5 Å²	61.5	65%	0.65	33%	0.33	S	S	*	.	H	α-helix	trans	-56.9	-36.9	-177.9	-176.7	177.6	-11.4	0	0	112.7	I544 L548 V549 E550	I544-Q546 PolarHBondContact O-N 3.21Å; Q546-L548 VanDerWaalsContact C-N 3.28Å; Q546-L548 PolarHBondContact O-N 2.66Å; Q546-V549 WeakPolarHBondContact O-CB 3.47Å; Q546-V549 PolarHBondContact O-N 2.83Å; Q546-V549 VanDerWaalsContact O-N 3.16Å; Q546-E550 HydrophobicContact CG-CG 4.35Å; Q546-E550 WeakPolarHBondContact CG-OE1 3.49Å; Q546-E550 PolarHBondContact NE2-OE1 3.31Å; Q546-E550 WeakPolarHBondContact O-CG 3.46Å; Q546-E550 PolarHBondContact O-N 3.46Å
547	Q	91.1	Very high	90.6	Very high	120 Å²	120	68 Å²	68	56%	0.561	35%	0.353	S	S	*	.	H	α-helix	trans	-60.4	-37.5	177.2	-63.8	179	1.1	0	0	112.3	E249 P545 R551	E249-Q547 PolarHBondContact OE1-OE1 3.28Å; P545-Q547 PolarHBondContact O-N 2.83Å; Q547-R551 WeakPolarHBondContact O-CB 3.44Å; Q547-R551 PolarHBondContact O-N 3.04Å; Q547-R551 VanDerWaalsContact O-N 3.1Å
548	L	93.2	Very high	90.6	Very high	10 Å²	10	68.9 Å²	68.9	5%	0.052	36%	0.361	C	S	.	.	H	α-helix	trans	-68	-43.6	175.7	-179	63.3	0	0	0	110.7	Y244 L259 Q262 I544 P545 Q546 R551 L552	Y244-L548 HydrophobicContact CD1-CD2 3.96Å; L259-L548 HydrophobicContact CD1-CD1 4.1Å; Q262-L548 HydrophobicContact CB-CD1 4.19Å; Q262-L548 HydrophobicContact CB-CD2 4.09Å; Q262-L548 HydrophobicContact CG-CD2 4.13Å; I544-L548 HydrophobicContact CG2-CD2 4.14Å; P545-L548 HydrophobicContact CB-CB 4.44Å; P545-L548 WeakPolarHBondContact O-CB 3.13Å; P545-L548 PolarHBondContact O-N 3.14Å; Q546-L548 VanDerWaalsContact C-N 3.28Å; Q546-L548 PolarHBondContact O-N 2.66Å; L548-R551 PolarHBondContact O-N 3.16Å; L548-L552 HydrophobicContact CD1-CD1 4.11Å; L548-L552 HydrophobicContact CD1-CG 4.14Å; L548-L552 HydrophobicContact CG-CD1 4.1Å; L548-L552 HydrophobicContact CG-CG 4.44Å; L548-L552 WeakPolarHBondContact O-CB 3.48Å; L548-L552 VanDerWaalsContact O-CG 3.29Å; L548-L552 WeakPolarHBondContact O-CG 3.48Å; L548-L552 PolarHBondContact O-N 3.07Å
549	V	94.1	Very high	90.5	Very high	31 Å²	31	67.8 Å²	67.8	19%	0.188	35%	0.346	C	S	.	.	H	α-helix	trans	-59.2	-50.9	177.4	178.4	0	0	0	0	111	Y266 I544 P545 Q546 R551 L552 Q553	Y266-V549 HydrophobicContact CE2-CG1 4.45Å; Y266-V549 HydrophobicContact CE2-CG2 4.05Å; I544-V549 HydrophobicContact CB-CG2 4.27Å; I544-V549 HydrophobicContact CG2-CG2 3.67Å; P545-V549 PolarHBondContact O-N 3.01Å; Q546-V549 WeakPolarHBondContact O-CB 3.47Å; Q546-V549 PolarHBondContact O-N 2.83Å; Q546-V549 VanDerWaalsContact O-N 3.16Å; V549-R551 VanDerWaalsContact C-N 3.33Å; V549-R551 PolarHBondContact O-N 2.88Å; V549-L552 PolarHBondContact O-N 3.01Å; V549-Q553 HydrophobicContact CG1-CG 4.37Å; V549-Q553 WeakPolarHBondContact O-CB 3.1Å; V549-Q553 VanDerWaalsContact O-CG 3.29Å; V549-Q553 WeakPolarHBondContact O-CG 3.42Å; V549-Q553 PolarHBondContact O-N 2.93Å
550	E	93.3	Very high	90.3	Very high	105 Å²	105	69.3 Å²	69.3	49%	0.491	36%	0.364	S	S	.	.	H	α-helix	trans	-59	-45.1	179.6	-72.8	174.4	-173.7	0	0	111.4	Q546 Q553 E554	Q546-E550 HydrophobicContact CG-CG 4.35Å; Q546-E550 WeakPolarHBondContact CG-OE1 3.49Å; Q546-E550 PolarHBondContact NE2-OE1 3.31Å; Q546-E550 WeakPolarHBondContact O-CG 3.46Å; Q546-E550 PolarHBondContact O-N 3.46Å; E550-Q553 PolarHBondContact O-N 3.5Å; E550-E554 WeakPolarHBondContact O-CB 3.41Å; E550-E554 PolarHBondContact O-N 3.5Å
551	R	93.4	Very high	90.2	Very high	58 Å²	58	70.1 Å²	70.1	22%	0.219	36%	0.362	C	S	.	.	H	α-helix	trans	-60.9	-47.8	177.2	-179.3	177.7	-178.5	161.9	6.2	112.5	T248 E249 D251 Q547 L548 V549 E554 E555	T248-R551 PolarHBondContact O-NH1 3.35Å; E249-R551 PolarHBondContact O-NH1 3.26Å; E249-R551 VanDerWaalsContact O-NH1 3.15Å; D251-R551 PolarHBondContact O-NH2 3.44Å; Q547-R551 WeakPolarHBondContact O-CB 3.44Å; Q547-R551 PolarHBondContact O-N 3.04Å; Q547-R551 VanDerWaalsContact O-N 3.1Å; L548-R551 PolarHBondContact O-N 3.16Å; V549-R551 VanDerWaalsContact C-N 3.33Å; V549-R551 PolarHBondContact O-N 2.88Å; R551-E554 PolarHBondContact O-N 3.44Å; R551-E555 IonicContact NE-OE1 3.88Å; R551-E555 WeakPolarHBondContact O-CG 3.43Å; R551-E555 PolarHBondContact O-N 2.78Å
552	L	92.6	Very high	90	Very high	3 Å²	3	70.5 Å²	70.5	2%	0.016	36%	0.359	C	S	.	.	H	α-helix	trans	-68.8	-35.3	-178	-67	-177.7	0	0	0	112	R263 Y266 L548 V549 E555 K556	R263-L552 HydrophobicContact CB-CD2 3.91Å; R263-L552 HydrophobicContact CG-CD2 3.92Å; Y266-L552 HydrophobicContact CD1-CB 4.33Å; Y266-L552 HydrophobicContact CD1-CD1 3.66Å; Y266-L552 HydrophobicContact CD2-CD1 4.18Å; Y266-L552 HydrophobicContact CE1-CB 4.41Å; Y266-L552 HydrophobicContact CE1-CD1 4.43Å; Y266-L552 HydrophobicContact CG-CD1 3.51Å; L548-L552 HydrophobicContact CD1-CD1 4.11Å; L548-L552 HydrophobicContact CD1-CG 4.14Å; L548-L552 HydrophobicContact CG-CD1 4.1Å; L548-L552 HydrophobicContact CG-CG 4.44Å; L548-L552 WeakPolarHBondContact O-CB 3.48Å; L548-L552 VanDerWaalsContact O-CG 3.29Å; L548-L552 WeakPolarHBondContact O-CG 3.48Å; L548-L552 PolarHBondContact O-N 3.07Å; V549-L552 PolarHBondContact O-N 3.01Å; L552-E555 PolarHBondContact O-N 2.97Å; L552-K556 WeakPolarHBondContact O-CG 3.37Å; L552-K556 PolarHBondContact O-N 3.45Å
553	Q	91.7	Very high	89.5	Confident	80 Å²	80	74.5 Å²	74.5	37%	0.374	35%	0.351	S	S	.	.	H	α-helix	trans	-65.2	-41.4	172.8	-72.7	-179.3	6	0	0	111.9	V549 E550 K556 R557	V549-Q553 HydrophobicContact CG1-CG 4.37Å; V549-Q553 WeakPolarHBondContact O-CB 3.1Å; V549-Q553 VanDerWaalsContact O-CG 3.29Å; V549-Q553 WeakPolarHBondContact O-CG 3.42Å; V549-Q553 PolarHBondContact O-N 2.93Å; E550-Q553 PolarHBondContact O-N 3.5Å; Q553-K556 WeakPolarHBondContact O-CB 3.39Å; Q553-K556 PolarHBondContact O-N 3.37Å; Q553-R557 WeakPolarHBondContact O-CG 3.44Å; Q553-R557 PolarHBondContact O-N 3.36Å
554	E	91.3	Very high	89.1	Confident	93 Å²	93	78.8 Å²	78.8	44%	0.435	37%	0.368	S	S	.	.	H	α-helix	trans	-65.6	-42.2	175.9	-171.8	55.8	-152.6	0	0	111.7	E550 R551 K556 R557 V558	E550-E554 WeakPolarHBondContact O-CB 3.41Å; E550-E554 PolarHBondContact O-N 3.5Å; R551-E554 PolarHBondContact O-N 3.44Å; E554-K556 VanDerWaalsContact C-N 3.27Å; E554-K556 PolarHBondContact O-N 3.14Å; E554-R557 WeakPolarHBondContact O-CB 3.18Å; E554-R557 PolarHBondContact O-N 2.98Å; E554-R557 VanDerWaalsContact O-N 3.09Å; E554-R557 IonicContact OE2-CZ 2.8Å; E554-R557 IonicContact OE2-NH1 2.69Å; E554-R557 PolarHBondContact OE2-NH1 3.35Å; E554-V558 WeakPolarHBondContact O-CG2 3.43Å; E554-V558 PolarHBondContact O-N 2.82Å
555	E	88.6	Confident	88.7	Confident	29 Å²	29	82.8 Å²	82.8	14%	0.136	39%	0.387	C	S	.	.	H	α-helix	trans	-57.1	-41	172.6	-75.8	-168.8	-179.7	0	0	112.1	S253 R263 K279 R551 L552 V558 E559	S253-E555 WeakPolarHBondContact CB-OE1 3.3Å; S253-E555 PolarHBondContact OG-OE1 3.43Å; R263-E555 IonicContact CZ-OE2 3.66Å; R263-E555 IonicContact NE-OE2 3.7Å; R263-E555 PolarHBondContact NE-OE2 3.15Å; R263-E555 VanDerWaalsContact NH2-CD 3.34Å; R263-E555 IonicContact NH2-OE1 2.94Å; R263-E555 PolarHBondContact NH2-OE1 3.19Å; R263-E555 IonicContact NH2-OE2 3.2Å; R263-E555 PolarHBondContact NH2-OE2 3.05Å; K279-E555 IonicContact NZ-OE2 2.7Å; K279-E555 PolarHBondContact NZ-OE2 2.65Å; R551-E555 IonicContact NE-OE1 3.88Å; R551-E555 WeakPolarHBondContact O-CG 3.43Å; R551-E555 PolarHBondContact O-N 2.78Å; L552-E555 PolarHBondContact O-N 2.97Å; E555-V558 PolarHBondContact O-N 2.68Å; E555-E559 WeakPolarHBondContact O-CG 3.48Å; E555-E559 PolarHBondContact O-N 3.29Å
556	K	86.6	Confident	88	Confident	84 Å²	84	89 Å²	89	37%	0.365	41%	0.405	S	S	.	.	H	α-helix	trans	-62.5	-41.5	174.6	-79	-175.9	177.2	179.4	0	112.7	E267 L552 Q553 E554 E559 A560	E267-K556 WeakPolarHBondContact OE1-CE 3.03Å; E267-K556 IonicContact OE1-NZ 3.26Å; E267-K556 PolarHBondContact OE1-NZ 2.94Å; E267-K556 WeakPolarHBondContact OE2-CE 3.44Å; E267-K556 IonicContact OE2-NZ 3.69Å; E267-K556 PolarHBondContact OE2-NZ 2.87Å; L552-K556 WeakPolarHBondContact O-CG 3.37Å; L552-K556 PolarHBondContact O-N 3.45Å; Q553-K556 WeakPolarHBondContact O-CB 3.39Å; Q553-K556 PolarHBondContact O-N 3.37Å; E554-K556 VanDerWaalsContact C-N 3.27Å; E554-K556 PolarHBondContact O-N 3.14Å; K556-E559 PolarHBondContact O-N 3.2Å; K556-A560 WeakPolarHBondContact O-CB 3.16Å; K556-A560 PolarHBondContact O-N 3.2Å
557	R	89.1	Confident	87.4	Confident	154 Å²	154	87.5 Å²	87.5	58%	0.581	40%	0.398	S	S	*	.	H	α-helix	trans	-62.1	-45.8	177.4	-71.4	180	-171.9	144.4	-0.8	111.1	Q553 E554 E559 A560 Q561	Q553-R557 WeakPolarHBondContact O-CG 3.44Å; Q553-R557 PolarHBondContact O-N 3.36Å; E554-R557 WeakPolarHBondContact O-CB 3.18Å; E554-R557 PolarHBondContact O-N 2.98Å; E554-R557 VanDerWaalsContact O-N 3.09Å; E554-R557 IonicContact OE2-CZ 2.8Å; E554-R557 IonicContact OE2-NH1 2.69Å; E554-R557 PolarHBondContact OE2-NH1 3.35Å; R557-E559 VanDerWaalsContact C-N 3.34Å; R557-E559 PolarHBondContact O-N 2.77Å; R557-A560 PolarHBondContact O-N 2.87Å; R557-Q561 WeakPolarHBondContact O-CB 3.47Å; R557-Q561 PolarHBondContact O-N 2.8Å
558	V	88.9	Confident	87.1	Confident	65 Å²	65	86 Å²	86	39%	0.394	39%	0.391	S	S	.	.	H	α-helix	trans	-62.5	-40.9	176.5	177.6	0	0	0	0	111.3	E554 E555 Q561 K562	E554-V558 WeakPolarHBondContact O-CG2 3.43Å; E554-V558 PolarHBondContact O-N 2.82Å; E555-V558 PolarHBondContact O-N 2.68Å; V558-Q561 PolarHBondContact O-N 3.08Å; V558-K562 HydrophobicContact CG1-CD 4.41Å; V558-K562 WeakPolarHBondContact O-CG 3.45Å; V558-K562 PolarHBondContact O-N 3.22Å
559	E	83.3	Confident	86.6	Confident	92 Å²	92	88 Å²	88	43%	0.43	41%	0.41	S	S	.	.	H	α-helix	trans	-67.4	-38.6	176.4	-77.9	-177.9	-171.8	0	0	113.3	K279 E555 K556 R557 K562 R563	K279-E559 WeakPolarHBondContact CE-OE1 3.46Å; K279-E559 IonicContact NZ-OE1 3.82Å; K279-E559 PolarHBondContact NZ-OE1 2.89Å; E555-E559 WeakPolarHBondContact O-CG 3.48Å; E555-E559 PolarHBondContact O-N 3.29Å; K556-E559 PolarHBondContact O-N 3.2Å; R557-E559 VanDerWaalsContact C-N 3.34Å; R557-E559 PolarHBondContact O-N 2.77Å; E559-K562 PolarHBondContact O-N 2.91Å; E559-R563 WeakPolarHBondContact O-CB 3.43Å; E559-R563 PolarHBondContact O-N 2.97Å
560	A	82.6	Confident	86.2	Confident	61 Å²	61	92.9 Å²	92.9	50%	0.504	43%	0.43	S	S	.	.	H	α-helix	trans	-63	-44.4	174.4	0	0	0	0	0	111	K556 R557 R563 K564	K556-A560 WeakPolarHBondContact O-CB 3.16Å; K556-A560 PolarHBondContact O-N 3.2Å; R557-A560 PolarHBondContact O-N 2.87Å; A560-R563 WeakPolarHBondContact O-CB 3.32Å; A560-R563 PolarHBondContact O-N 2.99Å; A560-R563 VanDerWaalsContact O-N 3.16Å; A560-K564 PolarHBondContact O-N 3.09Å
561	Q	87.3	Confident	86.1	Confident	96 Å²	96	92.8 Å²	92.8	45%	0.449	43%	0.432	S	S	.	.	H	α-helix	trans	-60.1	-48.6	174.7	-178.1	58.4	25.8	0	0	111.4	R557 V558 R563 K564 E565	R557-Q561 WeakPolarHBondContact O-CB 3.47Å; R557-Q561 PolarHBondContact O-N 2.8Å; V558-Q561 PolarHBondContact O-N 3.08Å; Q561-R563 PolarHBondContact O-N 2.87Å; Q561-K564 WeakPolarHBondContact O-CB 3.34Å; Q561-K564 PolarHBondContact O-N 3.1Å; Q561-K564 VanDerWaalsContact O-N 3.14Å; Q561-E565 WeakPolarHBondContact CG-OE1 3.37Å; Q561-E565 PolarHBondContact NE2-OE1 3.36Å; Q561-E565 VanDerWaalsContact NE2-OE1 3.08Å; Q561-E565 WeakPolarHBondContact O-CG 3.43Å; Q561-E565 PolarHBondContact O-N 3.18Å
562	K	83.2	Confident	86.1	Confident	115 Å²	115	94 Å²	94	50%	0.5	44%	0.437	S	S	.	.	H	α-helix	trans	-63	-27.9	175.1	-75.4	-179.4	179	179.3	0	113.8	V558 E559 R566	V558-K562 HydrophobicContact CG1-CD 4.41Å; V558-K562 WeakPolarHBondContact O-CG 3.45Å; V558-K562 PolarHBondContact O-N 3.22Å; E559-K562 PolarHBondContact O-N 2.91Å; K562-R566 WeakPolarHBondContact O-CB 3.19Å; K562-R566 WeakPolarHBondContact O-CG 3.47Å; K562-R566 PolarHBondContact O-N 2.73Å; K562-R566 PolarHBondContact O-NE 2.79Å
563	R	77.8	Confident	86.2	Confident	157 Å²	157	94 Å²	94	59%	0.592	44%	0.437	S	S	*	.	H	α-helix	trans	-73.7	-43.2	174.7	-176.7	179.8	177.6	178.1	-0	110.1	E559 A560 Q561 R566 Q567	E559-R563 WeakPolarHBondContact O-CB 3.43Å; E559-R563 PolarHBondContact O-N 2.97Å; A560-R563 WeakPolarHBondContact O-CB 3.32Å; A560-R563 PolarHBondContact O-N 2.99Å; A560-R563 VanDerWaalsContact O-N 3.16Å; Q561-R563 PolarHBondContact O-N 2.87Å; R563-R566 PolarHBondContact O-N 3.39Å; R563-Q567 WeakPolarHBondContact O-CG 3.44Å; R563-Q567 PolarHBondContact O-N 2.67Å
564	K	82.9	Confident	86.4	Confident	112 Å²	112	94.8 Å²	94.8	49%	0.487	44%	0.441	S	S	.	.	H	α-helix	trans	-59.9	-48.8	174.3	-173.1	178	176.4	-177	0	111	A560 Q561 R566 Q567 E568	A560-K564 PolarHBondContact O-N 3.09Å; Q561-K564 WeakPolarHBondContact O-CB 3.34Å; Q561-K564 PolarHBondContact O-N 3.1Å; Q561-K564 VanDerWaalsContact O-N 3.14Å; K564-R566 VanDerWaalsContact C-N 3.29Å; K564-R566 PolarHBondContact O-N 3.22Å; K564-Q567 WeakPolarHBondContact O-CB 3.44Å; K564-Q567 PolarHBondContact O-N 3.07Å; K564-Q567 VanDerWaalsContact O-N 3.1Å; K564-E568 WeakPolarHBondContact CE-OE1 3.5Å; K564-E568 WeakPolarHBondContact O-CB 3.25Å; K564-E568 WeakPolarHBondContact O-CG 3.38Å; K564-E568 PolarHBondContact O-N 3.43Å
565	E	84.7	Confident	86.6	Confident	94 Å²	94	90.3 Å²	90.3	44%	0.439	42%	0.42	S	S	.	.	H	α-helix	trans	-58.1	-38.2	175.4	-72.8	167.6	-172.2	0	0	112.8	Q561 A569	Q561-E565 WeakPolarHBondContact CG-OE1 3.37Å; Q561-E565 PolarHBondContact NE2-OE1 3.36Å; Q561-E565 VanDerWaalsContact NE2-OE1 3.08Å; Q561-E565 WeakPolarHBondContact O-CG 3.43Å; Q561-E565 PolarHBondContact O-N 3.18Å; E565-A569 WeakPolarHBondContact O-CB 3.27Å; E565-A569 PolarHBondContact O-N 3.35Å
566	R	80.1	Confident	87	Confident	170 Å²	170	90.4 Å²	90.4	64%	0.642	42%	0.42	S	S	*	.	H	α-helix	trans	-70.3	-38.4	175.5	-81.7	-179	-77.6	171.3	-5.6	112.8	K562 R563 K564 H570	K562-R566 WeakPolarHBondContact O-CB 3.19Å; K562-R566 WeakPolarHBondContact O-CG 3.47Å; K562-R566 PolarHBondContact O-N 2.73Å; K562-R566 PolarHBondContact O-NE 2.79Å; R563-R566 PolarHBondContact O-N 3.39Å; K564-R566 VanDerWaalsContact C-N 3.29Å; K564-R566 PolarHBondContact O-N 3.22Å; R566-H570 PolarHBondContact O-N 3.37Å; R566-H570 VanDerWaalsContact O-N 3.07Å
567	Q	80.5	Confident	87.4	Confident	109 Å²	109	86.4 Å²	86.4	51%	0.509	40%	0.403	S	S	.	.	H	α-helix	trans	-66.1	-44.2	174.9	-74.6	173.5	-35.8	0	0	110.6	R563 K564 H570 L571	R563-Q567 WeakPolarHBondContact O-CG 3.44Å; R563-Q567 PolarHBondContact O-N 2.67Å; K564-Q567 WeakPolarHBondContact O-CB 3.44Å; K564-Q567 PolarHBondContact O-N 3.07Å; K564-Q567 VanDerWaalsContact O-N 3.1Å; Q567-H570 WeakPolarHBondContact O-CB 3.45Å; Q567-H570 PolarHBondContact O-N 2.77Å; Q567-L571 PolarHBondContact O-N 3.1Å
568	E	85	Confident	87.8	Confident	87 Å²	87	79.1 Å²	79.1	41%	0.407	38%	0.376	S	S	.	.	H	α-helix	trans	-62	-48.3	173.7	-73.1	174.6	-173.9	0	0	111	K564 H570 L571 Y572	K564-E568 WeakPolarHBondContact CE-OE1 3.5Å; K564-E568 WeakPolarHBondContact O-CB 3.25Å; K564-E568 WeakPolarHBondContact O-CG 3.38Å; K564-E568 PolarHBondContact O-N 3.43Å; E568-H570 PolarHBondContact O-N 3.5Å; E568-H570 VanDerWaalsContact O-N 3.16Å; E568-L571 VanDerWaalsContact O-CB 3.31Å; E568-L571 WeakPolarHBondContact O-CB 3.26Å; E568-L571 PolarHBondContact O-N 3.26Å; E568-Y572 WeakPolarHBondContact O-CD2 3.39Å
569	A	82.8	Confident	88.1	Confident	54 Å²	54	77.8 Å²	77.8	45%	0.446	37%	0.368	S	S	.	.	H	α-helix	trans	-58	-30.8	177.2	0	0	0	0	0	113	E565 L571 Y572	E565-A569 WeakPolarHBondContact O-CB 3.27Å; E565-A569 PolarHBondContact O-N 3.35Å; A569-L571 VanDerWaalsContact C-N 3.26Å; A569-L571 PolarHBondContact O-N 3.09Å; A569-Y572 PolarHBondContact O-N 2.87Å
570	H	85.4	Confident	88.6	Confident	133 Å²	133	75.8 Å²	75.8	62%	0.616	36%	0.358	S	S	*	.	H	α-helix	trans	-69	-22.6	176.1	-172.2	73.8	0	0	0	113.4	R566 Q567 E568 Y572 K606	R566-H570 PolarHBondContact O-N 3.37Å; R566-H570 VanDerWaalsContact O-N 3.07Å; Q567-H570 WeakPolarHBondContact O-CB 3.45Å; Q567-H570 PolarHBondContact O-N 2.77Å; E568-H570 PolarHBondContact O-N 3.5Å; E568-H570 VanDerWaalsContact O-N 3.16Å; H570-Y572 VanDerWaalsContact C-N 3.28Å; H570-K606 WeakPolarHBondContact O-CD 3.23Å; H570-K606 WeakPolarHBondContact O-CE 3.47Å; H570-K606 PolarHBondContact O-NZ 2.75Å
571	L	90.8	Very high	89.1	Confident	103 Å²	103	77.2 Å²	77.2	54%	0.539	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.3	-14.1	174.9	-60.2	173.4	0	0	0	112.9	Q567 E568 A569 K606	Q567-L571 PolarHBondContact O-N 3.1Å; E568-L571 VanDerWaalsContact O-CB 3.31Å; E568-L571 WeakPolarHBondContact O-CB 3.26Å; E568-L571 PolarHBondContact O-N 3.26Å; A569-L571 VanDerWaalsContact C-N 3.26Å; A569-L571 PolarHBondContact O-N 3.09Å; L571-K606 WeakPolarHBondContact O-CB 3.4Å; L571-K606 WeakPolarHBondContact O-CG 3.45Å; L571-K606 PolarHBondContact O-N 3.18Å
572	Y	92.3	Very high	89.5	Confident	83 Å²	83	74.9 Å²	74.9	33%	0.325	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	153.7	178.7	-67.7	-95.7	0	0	0	111.6	E568 A569 H570 K603 I604 L605	E568-Y572 WeakPolarHBondContact O-CD2 3.39Å; A569-Y572 PolarHBondContact O-N 2.87Å; H570-Y572 VanDerWaalsContact C-N 3.28Å; Y572-K603 HydrophobicContact CD1-CD 4.27Å; Y572-K603 HydrophobicContact CD1-CG 3.84Å; Y572-K603 HydrophobicContact CG-CD 4.43Å; Y572-K603 HydrophobicContact CG-CG 4.2Å; Y572-I604 CarbonylContact C-O 3.56Å; Y572-I604 WeakPolarHBondContact CA-O 3.48Å; Y572-I604 WeakPolarHBondContact CB-O 3.16Å; Y572-I604 WeakPolarHBondContact CD1-O 3.47Å; Y572-L605 HydrophobicContact CD1-CD2 4.03Å; Y572-L605 HydrophobicContact CD1-CG 4.26Å; Y572-L605 HydrophobicContact CD2-CD2 4.33Å; Y572-L605 HydrophobicContact CE1-CD2 3.58Å; Y572-L605 HydrophobicContact CE1-CG 3.79Å; Y572-L605 HydrophobicContact CE2-CD2 3.89Å; Y572-L605 HydrophobicContact CG-CD2 4.37Å; Y572-L605 VanDerWaalsContact CZ-CD2 3.48Å
573	M	94.8	Very high	90.1	Very high	2 Å²	2	69.5 Å²	69.5	1%	0.01	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	163.2	167.5	64.8	-175.1	-66.6	0	0	110.5	V575 I604 K606 M656 I657 S660 W666	M573-V575 HydrophobicContact CE-CG2 4.34Å; M573-I604 HydrophobicContact CG-CD1 4.15Å; M573-I604 HydrophobicContact CG-CG1 3.63Å; M573-I604 PolarHBondContact N-O 2.88Å; M573-I604 PolarHBondContact O-N 2.89Å; M573-I604 HydrophobicContact SD-CD1 4.4Å; M573-I604 HydrophobicContact SD-CG1 4.46Å; M573-K606 HydrophobicContact CB-CG 3.93Å; M573-K606 HydrophobicContact CG-CG 4.17Å; M573-K606 HydrophobicContact SD-CG 4.31Å; M573-M656 HydrophobicContact SD-CB 3.79Å; M573-I657 HydrophobicContact CE-CD1 4.47Å; M573-I657 HydrophobicContact SD-CB 4.3Å; M573-I657 HydrophobicContact SD-CD1 4.3Å; M573-S660 WeakPolarHBondContact CE-OG 3.42Å; M573-W666 HydrophobicContact CE-CB 3.87Å
574	Q	96	Very high	90.9	Very high	97 Å²	97	65.8 Å²	65.8	45%	0.453	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	128.6	174.5	-67.3	-178.6	0.2	0	0	109.5	V601 F602 N664 P665 W666	Q574-V601 HydrophobicContact CB-CG1 4.16Å; Q574-V601 HydrophobicContact CG-CG1 4.36Å; Q574-F602 WeakPolarHBondContact CA-O 3.4Å; Q574-N664 PolarHBondContact N-OD1 2.88Å; Q574-P665 HydrophobicContact CB-CB 4.04Å; Q574-P665 CarbonylContact O-C 3.58Å; Q574-P665 VanDerWaalsContact O-CA 3.26Å; Q574-P665 WeakPolarHBondContact O-CA 3.4Å; Q574-W666 PolarHBondContact O-N 2.75Å
575	V	96.8	Very high	91.3	Very high	0 Å²	0	63 Å²	63	0%	0	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	125	170.6	-177.9	0	0	0	0	108.5	M573 M577 V601 F602 I604 F613 M656 W666 I668	M573-V575 HydrophobicContact CE-CG2 4.34Å; V575-M577 HydrophobicContact CG1-SD 3.84Å; V575-V601 WeakPolarHBondContact O-CA 3.42Å; V575-F602 PolarHBondContact N-O 3.06Å; V575-F602 PolarHBondContact O-N 3.22Å; V575-I604 HydrophobicContact CG2-CD1 3.41Å; V575-I604 VanDerWaalsContact CG2-CD1 3.41Å; V575-I604 HydrophobicContact CG2-CG1 4.03Å; V575-F613 HydrophobicContact CB-CE2 4.42Å; V575-F613 HydrophobicContact CB-CZ 4.12Å; V575-F613 HydrophobicContact CG1-CE1 4.19Å; V575-F613 HydrophobicContact CG1-CZ 3.74Å; V575-M656 HydrophobicContact CG2-CE 3.86Å; V575-W666 CarbonylContact C-O 3.58Å; V575-W666 WeakPolarHBondContact CA-O 3.47Å; V575-W666 HydrophobicContact CG2-CE3 4.28Å; V575-I668 HydrophobicContact CG1-CD1 3.63Å; V575-I668 HydrophobicContact CG1-CG1 4.05Å
576	Q	97.1	Very high	91.8	Very high	30 Å²	30	60 Å²	60	14%	0.14	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	109.1	-179.5	-68.8	177.7	-18.2	0	0	108.9	Y599 V601 P665 W666 T667 I668	Q576-Y599 HydrophobicContact CB-CD1 3.92Å; Q576-Y599 HydrophobicContact CB-CD2 4.42Å; Q576-Y599 HydrophobicContact CB-CE1 4.47Å; Q576-Y599 HydrophobicContact CB-CG 3.87Å; Q576-Y599 HydrophobicContact CG-CD2 4.41Å; Q576-Y599 HydrophobicContact CG-CG 4.25Å; Q576-V601 HydrophobicContact CG-CG2 4.29Å; Q576-P665 HydrophobicContact CG-CB 4.02Å; Q576-W666 PolarHBondContact N-O 3.15Å; Q576-T667 HydrophobicContact CB-CG2 4.33Å; Q576-T667 CarbonylContact O-C 3.57Å; Q576-T667 WeakPolarHBondContact O-CA 3.36Å; Q576-T667 PolarHBondContact OE1-OG1 3.35Å; Q576-I668 PolarHBondContact O-N 3.24Å
577	M	95.3	Very high	92.5	Very high	1 Å²	1	55.1 Å²	55.1	1%	0.005	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	129	174.9	-55.3	-57.3	-59.5	0	0	109.7	V575 Y599 T600 F602 F613 L617 M621 L630 I668 L670	V575-M577 HydrophobicContact CG1-SD 3.84Å; M577-Y599 WeakPolarHBondContact O-CA 3.39Å; M577-T600 PolarHBondContact N-O 2.87Å; M577-T600 PolarHBondContact O-N 3.07Å; M577-F602 HydrophobicContact CB-CE2 4.36Å; M577-F602 HydrophobicContact CG-CD2 3.7Å; M577-F602 HydrophobicContact CG-CE2 3.59Å; M577-F613 HydrophobicContact SD-CE1 4.27Å; M577-F613 HydrophobicContact SD-CZ 3.94Å; M577-L617 HydrophobicContact CE-CD1 4.47Å; M577-L617 HydrophobicContact CE-CD2 3.92Å; M577-L617 HydrophobicContact CG-CD1 4.09Å; M577-M621 HydrophobicContact CB-CE 4.12Å; M577-M621 HydrophobicContact CG-CE 4.39Å; M577-L630 HydrophobicContact CE-CG 4.39Å; M577-I668 WeakPolarHBondContact CA-O 3.34Å; M577-I668 HydrophobicContact CE-CB 3.94Å; M577-I668 HydrophobicContact CE-CG2 3.77Å; M577-I668 HydrophobicContact SD-CB 3.83Å; M577-I668 HydrophobicContact SD-CD1 4.29Å; M577-I668 HydrophobicContact SD-CG1 4.5Å; M577-I668 HydrophobicContact SD-CG2 4.28Å; M577-L670 HydrophobicContact CE-CB 3.62Å; M577-L670 HydrophobicContact CE-CD1 3.98Å; M577-L670 HydrophobicContact CE-CD2 4.33Å; M577-L670 HydrophobicContact CE-CG 4.18Å
578	V	96.5	Very high	93.1	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	136.8	170.2	64.1	0	0	0	0	109.3	Q582 F583 Y592 V597 Y599 M633 I668 F669 L670	V578-Q582 HydrophobicContact CG2-CB 3.77Å; V578-Q582 HydrophobicContact CG2-CG 3.94Å; V578-F583 HydrophobicContact CG1-CE1 4.25Å; V578-F583 HydrophobicContact CG1-CZ 4.39Å; V578-F583 HydrophobicContact CG2-CE1 3.84Å; V578-Y592 HydrophobicContact CG1-CE1 4.09Å; V578-Y592 HydrophobicContact CG2-CD1 4.28Å; V578-Y592 HydrophobicContact CG2-CE1 4.21Å; V578-V597 HydrophobicContact CG2-CG2 3.65Å; V578-Y599 HydrophobicContact CB-CD1 4.02Å; V578-Y599 HydrophobicContact CB-CE1 4.04Å; V578-M633 HydrophobicContact CG1-CG 4.43Å; V578-I668 PolarHBondContact N-O 3.41Å; V578-F669 HydrophobicContact CG1-CB 4.06Å; V578-F669 CarbonylContact O-C 3.58Å; V578-F669 WeakPolarHBondContact O-CA 3.16Å; V578-F669 WeakPolarHBondContact O-CD2 3.44Å; V578-L670 PolarHBondContact O-N 3.28Å
579	T	94.4	Very high	93.5	Very high	37 Å²	37	47.7 Å²	47.7	23%	0.227	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	160.2	179.7	42.8	0	0	0	0	110.5	D581 Q582 L670	T579-D581 WeakPolarHBondContact CB-OD1 3.46Å; T579-D581 PolarHBondContact O-N 3.38Å; T579-D581 PolarHBondContact OG1-OD1 2.99Å; T579-Q582 WeakPolarHBondContact O-CB 3.47Å; T579-Q582 PolarHBondContact O-N 3.26Å; T579-L670 HydrophobicContact CG2-CB 4.35Å
580	E	94.7	Very high	94.1	Very high	50 Å²	50	46.1 Å²	46.1	23%	0.234	25%	0.248	C	C	.	.	G	3₁₀ helix	trans	-61.6	-26.6	-171.9	-169.3	172.1	-161.6	0	0	113.4	Q582 F583 F669 Y709 G711 H712	E580-Q582 PolarHBondContact O-N 3.21Å; E580-Q582 VanDerWaalsContact O-N 3.16Å; E580-F583 HydrophobicContact CG-CD2 4.16Å; E580-F583 WeakPolarHBondContact O-CB 3.38Å; E580-F583 PolarHBondContact O-N 3.34Å; E580-F669 HydrophobicContact CB-CE2 3.95Å; E580-F669 HydrophobicContact CB-CZ 4.3Å; E580-Y709 HydrophobicContact CG-CE1 3.66Å; E580-Y709 PolarHBondContact OE1-OH 3.42Å; E580-G711 WeakPolarHBondContact OE1-CA 3.44Å; E580-H712 IonicContact OE1-CE1 2.99Å; E580-H712 IonicContact OE1-CG 3.3Å; E580-H712 IonicContact OE1-ND1 3.9Å; E580-H712 PolarHBondContact OE1-ND1 2.91Å; E580-H712 IonicContact OE2-CE1 3.37Å; E580-H712 IonicContact OE2-ND1 2.77Å
581	D	93.3	Very high	94.6	Very high	92 Å²	92	40 Å²	40	49%	0.492	22%	0.219	S	C	.	.	G	3₁₀ helix	trans	-60.7	-25	176	65.9	-69.7	0	0	0	113.2	T579 F583 C584	T579-D581 WeakPolarHBondContact CB-OD1 3.46Å; T579-D581 PolarHBondContact O-N 3.38Å; T579-D581 PolarHBondContact OG1-OD1 2.99Å; D581-F583 PolarHBondContact O-N 3.23Å; D581-C584 WeakPolarHBondContact O-CB 3.49Å; D581-C584 PolarHBondContact O-N 3.16Å
582	Q	95.1	Very high	94.8	Very high	46 Å²	46	35.9 Å²	35.9	22%	0.215	20%	0.197	C	C	.	.	G	3₁₀ helix	trans	-73.3	-18.3	176.2	-60.1	-59.6	-63.2	0	0	112.6	V578 T579 E580 V597	V578-Q582 HydrophobicContact CG2-CB 3.77Å; V578-Q582 HydrophobicContact CG2-CG 3.94Å; T579-Q582 WeakPolarHBondContact O-CB 3.47Å; T579-Q582 PolarHBondContact O-N 3.26Å; E580-Q582 PolarHBondContact O-N 3.21Å; E580-Q582 VanDerWaalsContact O-N 3.16Å; Q582-V597 HydrophobicContact CB-CG2 4.17Å; Q582-V597 HydrophobicContact CG-CG2 4.32Å
583	F	96.3	Very high	94.7	Very high	2 Å²	2	34.3 Å²	34.3	1%	0.009	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.7	-25.8	177.1	-51.1	-15.2	0	0	0	110.8	V578 E580 D581 G585 H586 M591 Y592 F669 F696 Y709	V578-F583 HydrophobicContact CG1-CE1 4.25Å; V578-F583 HydrophobicContact CG1-CZ 4.39Å; V578-F583 HydrophobicContact CG2-CE1 3.84Å; E580-F583 HydrophobicContact CG-CD2 4.16Å; E580-F583 WeakPolarHBondContact O-CB 3.38Å; E580-F583 PolarHBondContact O-N 3.34Å; D581-F583 PolarHBondContact O-N 3.23Å; F583-G585 PolarHBondContact O-N 2.98Å; F583-H586 WeakPolarHBondContact O-CB 3.47Å; F583-H586 PolarHBondContact O-N 3.19Å; F583-M591 WeakPolarHBondContact CA-O 3.41Å; F583-M591 HydrophobicContact CD1-CB 3.73Å; F583-M591 HydrophobicContact CD2-CB 4.44Å; F583-M591 HydrophobicContact CD2-SD 4.47Å; F583-M591 HydrophobicContact CE1-CB 3.76Å; F583-M591 HydrophobicContact CE1-CG 4.49Å; F583-M591 HydrophobicContact CE2-CB 4.42Å; F583-M591 HydrophobicContact CE2-CG 4.46Å; F583-M591 HydrophobicContact CG-CB 4.11Å; F583-M591 HydrophobicContact CZ-CB 4.08Å; F583-M591 HydrophobicContact CZ-CG 4.33Å; F583-Y592 AromaticContact CD1-CD1 3.74Å; F583-Y592 HydrophobicContact CD1-CD1 3.74Å; F583-Y592 AromaticContact CE1-CD1 3.43Å; F583-Y592 HydrophobicContact CE1-CD1 3.43Å; F583-Y592 VanDerWaalsContact CE1-CD1 3.43Å; F583-Y592 AromaticContact CE1-CE1 3.88Å; F583-Y592 HydrophobicContact CE1-CE1 3.88Å; F583-F669 HydrophobicContact CE1-CD2 4.48Å; F583-F669 HydrophobicContact CE2-CD1 4.45Å; F583-F669 AromaticContact CE2-CD2 3.61Å; F583-F669 HydrophobicContact CE2-CD2 3.61Å; F583-F669 HydrophobicContact CE2-CE1 4.37Å; F583-F669 AromaticContact CE2-CE2 3.51Å; F583-F669 HydrophobicContact CE2-CE2 3.51Å; F583-F669 HydrophobicContact CE2-CG 4.11Å; F583-F669 AromaticContact CE2-CZ 3.92Å; F583-F669 HydrophobicContact CE2-CZ 3.92Å; F583-F669 HydrophobicContact CZ-CB 4.33Å; F583-F669 AromaticContact CZ-CD2 3.37Å; F583-F669 HydrophobicContact CZ-CD2 3.37Å; F583-F669 AromaticContact CZ-CE2 3.77Å; F583-F669 HydrophobicContact CZ-CE2 3.77Å; F583-F669 AromaticContact CZ-CG 3.84Å; F583-F669 HydrophobicContact CZ-CG 3.84Å; F583-F696 HydrophobicContact CD2-CE1 4.14Å; F583-F696 AromaticContact CE2-CE1 3.92Å; F583-F696 HydrophobicContact CE2-CE1 3.92Å; F583-F696 HydrophobicContact CE2-CZ 4.42Å; F583-Y709 HydrophobicContact CB-CD1 4.24Å; F583-Y709 HydrophobicContact CB-CD2 4.14Å; F583-Y709 HydrophobicContact CB-CE1 4.12Å; F583-Y709 HydrophobicContact CB-CE2 4.03Å; F583-Y709 HydrophobicContact CB-CG 4.24Å; F583-Y709 HydrophobicContact CD2-CE1 4.49Å; F583-Y709 HydrophobicContact CD2-CE2 4.27Å; F583-Y709 AromaticContact CD2-CZ 3.9Å
584	C	93.8	Very high	94.3	Very high	79 Å²	79	38 Å²	38	53%	0.534	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.8	124.6	179.1	-67.2	0	0	0	0	112	D581 H586	D581-C584 WeakPolarHBondContact O-CB 3.49Å; D581-C584 PolarHBondContact O-N 3.16Å; C584-H586 VanDerWaalsContact C-N 3.29Å; C584-H586 PolarHBondContact O-N 3.35Å
585	G	91.5	Very high	93.9	Very high	53 Å²	53	39.9 Å²	39.9	55%	0.546	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	83	-1.8	178.1	0	0	0	0	0	114.8	F583 Q587	F583-G585 PolarHBondContact O-N 2.98Å; G585-Q587 PolarHBondContact O-N 2.89Å; G585-Q587 PolarHBondContact O-NE2 3.15Å
586	H	95.1	Very high	93.5	Very high	32 Å²	32	47.2 Å²	47.2	15%	0.148	25%	0.252	C	S	.	.			trans	-61.1	130.5	173.1	-178.1	50	0	0	0	111.3	F583 C584 G588 N589 D590 M591 Y592 D593	F583-H586 WeakPolarHBondContact O-CB 3.47Å; F583-H586 PolarHBondContact O-N 3.19Å; C584-H586 VanDerWaalsContact C-N 3.29Å; C584-H586 PolarHBondContact O-N 3.35Å; H586-G588 WeakPolarHBondContact CE1-CA 3.28Å; H586-G588 PolarHBondContact CE1-N 3.32Å; H586-G588 VanDerWaalsContact CE1-N 3.28Å; H586-G588 PolarHBondContact ND1-N 3.32Å; H586-G588 WeakPolarHBondContact NE2-CA 3.36Å; H586-G588 PolarHBondContact NE2-N 2.86Å; H586-N589 PolarHBondContact NE2-O 3.49Å; H586-D590 PolarHBondContact CD2-O 3.32Å; H586-D590 VanDerWaalsContact CD2-O 3.3Å; H586-M591 VanDerWaalsContact CD2-C 3.5Å; H586-M591 PolarHBondContact CD2-O 3.39Å; H586-Y592 PolarHBondContact NE2-O 3.36Å; H586-D593 PolarHBondContact CE1-N 3.04Å; H586-D593 VanDerWaalsContact CE1-N 3.34Å
587	Q	94.3	Very high	93.3	Very high	68 Å²	68	46.7 Å²	46.7	32%	0.318	25%	0.251	S	S	.	.			trans	-104.2	-4.1	-177.7	-62.6	-54.3	-62.8	0	0	112.4	G585 S706 L707 Y794	G585-Q587 PolarHBondContact O-N 2.89Å; G585-Q587 PolarHBondContact O-NE2 3.15Å; Q587-S706 VanDerWaalsContact OE1-CA 3.29Å; Q587-L707 PolarHBondContact NE2-O 3.2Å; Q587-Y794 PolarHBondContact O-OH 2.99Å; Q587-Y794 PolarHBondContact OE1-OH 3.45Å
588	G	93.3	Very high	93.2	Very high	13 Å²	13	54.1 Å²	54.1	13%	0.134	28%	0.283	C	S	.	.	S	Bend	trans	-92.7	-173.4	-175.4	0	0	0	0	0	114.4	H586 K698	H586-G588 WeakPolarHBondContact CE1-CA 3.28Å; H586-G588 PolarHBondContact CE1-N 3.32Å; H586-G588 VanDerWaalsContact CE1-N 3.28Å; H586-G588 PolarHBondContact ND1-N 3.32Å; H586-G588 WeakPolarHBondContact NE2-CA 3.36Å; H586-G588 PolarHBondContact NE2-N 2.86Å; G588-K698 PolarHBondContact O-NZ 3.43Å
589	N	93.9	Very high	93.1	Very high	26 Å²	26	56.4 Å²	56.4	14%	0.139	29%	0.292	C	S	.	.	S	Bend	trans	-68.6	159	162.9	-71.6	107.9	0	0	0	111.4	H586 E745 P748 F795	H586-N589 PolarHBondContact NE2-O 3.49Å; N589-E745 WeakPolarHBondContact CA-OE1 3.48Å; N589-E745 WeakPolarHBondContact CB-OE1 3.32Å; N589-E745 PolarHBondContact ND2-OE1 3.38Å; N589-P748 HydrophobicContact CB-CG 4.03Å; N589-F795 WeakPolarHBondContact ND2-CD1 3.18Å; N589-F795 WeakPolarHBondContact ND2-CE1 3.31Å
590	D	96	Very high	93.1	Very high	22 Å²	22	57.7 Å²	57.7	12%	0.118	30%	0.3	C	S	.	.	S	Bend	trans	60	-161	-179.8	-65.3	-7.4	0	0	0	113	H586 T640 K641 R642 K698 E745	H586-D590 PolarHBondContact CD2-O 3.32Å; H586-D590 VanDerWaalsContact CD2-O 3.3Å; D590-T640 WeakPolarHBondContact OD1-CB 3.47Å; D590-T640 WeakPolarHBondContact OD1-CG2 3.41Å; D590-T640 VanDerWaalsContact OD2-CA 3.25Å; D590-T640 WeakPolarHBondContact OD2-CA 3.45Å; D590-T640 VanDerWaalsContact OD2-CB 3.29Å; D590-T640 WeakPolarHBondContact OD2-CB 3.31Å; D590-K641 PolarHBondContact OD2-N 3.31Å; D590-R642 IonicContact OD1-CZ 2.74Å; D590-R642 IonicContact OD1-NE 2.83Å; D590-R642 PolarHBondContact OD1-NE 2.91Å; D590-R642 IonicContact OD1-NH2 2.68Å; D590-R642 PolarHBondContact OD1-NH2 2.83Å; D590-K698 WeakPolarHBondContact O-CE 3.43Å; D590-K698 PolarHBondContact O-NZ 3.12Å; D590-E745 PolarHBondContact N-OE1 2.95Å
591	M	95.8	Very high	93.1	Very high	4 Å²	4	59 Å²	59	2%	0.02	31%	0.311	C	S	.	.	S	Bend	trans	-78	-38.8	-170.2	-59.7	-54.7	141.3	0	0	113.3	F583 H586 M633 P643 F696 I773	F583-M591 WeakPolarHBondContact CA-O 3.41Å; F583-M591 HydrophobicContact CD1-CB 3.73Å; F583-M591 HydrophobicContact CD2-CB 4.44Å; F583-M591 HydrophobicContact CD2-SD 4.47Å; F583-M591 HydrophobicContact CE1-CB 3.76Å; F583-M591 HydrophobicContact CE1-CG 4.49Å; F583-M591 HydrophobicContact CE2-CB 4.42Å; F583-M591 HydrophobicContact CE2-CG 4.46Å; F583-M591 HydrophobicContact CG-CB 4.11Å; F583-M591 HydrophobicContact CZ-CB 4.08Å; F583-M591 HydrophobicContact CZ-CG 4.33Å; H586-M591 VanDerWaalsContact CD2-C 3.5Å; H586-M591 PolarHBondContact CD2-O 3.39Å; M591-M633 HydrophobicContact CG-CE 4.32Å; M591-P643 HydrophobicContact CG-CG 4.27Å; M591-F696 HydrophobicContact CE-CB 4.1Å; M591-F696 HydrophobicContact CE-CD1 4.35Å; M591-F696 HydrophobicContact CE-CD2 3.68Å; M591-F696 HydrophobicContact CE-CE2 4.2Å; M591-F696 HydrophobicContact CE-CG 3.76Å; M591-F696 HydrophobicContact SD-CB 4.35Å; M591-F696 HydrophobicContact SD-CD1 3.75Å; M591-F696 HydrophobicContact SD-CD2 4.09Å; M591-F696 HydrophobicContact SD-CE1 4.02Å; M591-F696 HydrophobicContact SD-CE2 4.35Å; M591-F696 HydrophobicContact SD-CG 3.78Å; M591-F696 HydrophobicContact SD-CZ 4.33Å; M591-I773 HydrophobicContact CE-CD1 3.45Å; M591-I773 VanDerWaalsContact CE-CD1 3.45Å; M591-I773 HydrophobicContact CE-CG1 3.42Å; M591-I773 VanDerWaalsContact CE-CG1 3.42Å
592	Y	94.6	Very high	93.2	Very high	17 Å²	17	55.5 Å²	55.5	7%	0.067	29%	0.291	C	S	.	.	S	Bend	trans	-155.2	170.5	-173	53.5	-97.6	0	0	0	111.7	V578 F583 H586 E594 V597 Y599 M633	V578-Y592 HydrophobicContact CG1-CE1 4.09Å; V578-Y592 HydrophobicContact CG2-CD1 4.28Å; V578-Y592 HydrophobicContact CG2-CE1 4.21Å; F583-Y592 AromaticContact CD1-CD1 3.74Å; F583-Y592 HydrophobicContact CD1-CD1 3.74Å; F583-Y592 AromaticContact CE1-CD1 3.43Å; F583-Y592 HydrophobicContact CE1-CD1 3.43Å; F583-Y592 VanDerWaalsContact CE1-CD1 3.43Å; F583-Y592 AromaticContact CE1-CE1 3.88Å; F583-Y592 HydrophobicContact CE1-CE1 3.88Å; H586-Y592 PolarHBondContact NE2-O 3.36Å; Y592-E594 WeakPolarHBondContact CE2-OE2 3.36Å; Y592-V597 HydrophobicContact CD1-CG2 4.47Å; Y592-V597 HydrophobicContact CD2-CB 3.61Å; Y592-V597 HydrophobicContact CD2-CG1 3.72Å; Y592-V597 HydrophobicContact CD2-CG2 3.83Å; Y592-V597 HydrophobicContact CE2-CB 4.16Å; Y592-V597 HydrophobicContact CE2-CG1 3.87Å; Y592-V597 HydrophobicContact CE2-CG2 4.17Å; Y592-V597 HydrophobicContact CG-CB 4.08Å; Y592-V597 HydrophobicContact CG-CG2 3.99Å; Y592-Y599 WeakPolarHBondContact CE2-OH 3.19Å; Y592-Y599 PolarHBondContact OH-OH 3.27Å; Y592-M633 HydrophobicContact CE1-CE 3.83Å; Y592-M633 HydrophobicContact CE1-SD 4.42Å
593	D	89.9	Confident	93.1	Very high	49 Å²	49	60 Å²	60	26%	0.262	31%	0.31	S	S	.	.			trans	-89.6	115.6	170.8	-175.9	-27.2	0	0	0	109.3	H586 E595 K596 V597	H586-D593 PolarHBondContact CE1-N 3.04Å; H586-D593 VanDerWaalsContact CE1-N 3.34Å; D593-E595 PolarHBondContact O-N 2.64Å; D593-E595 PolarHBondContact OD1-N 3.07Å; D593-K596 HydrophobicContact CB-CB 4.13Å; D593-K596 HydrophobicContact CB-CD 4.22Å; D593-K596 HydrophobicContact CB-CG 4.21Å; D593-K596 PolarHBondContact O-N 3.39Å; D593-K596 WeakPolarHBondContact OD2-CE 3.5Å; D593-K596 IonicContact OD2-NZ 2.97Å; D593-K596 PolarHBondContact OD2-NZ 2.64Å; D593-V597 WeakPolarHBondContact O-CB 3.37Å; D593-V597 WeakPolarHBondContact O-CG1 3.35Å; D593-V597 PolarHBondContact O-N 3.36Å
594	E	87.4	Confident	93	Very high	80 Å²	80	60.5 Å²	60.5	37%	0.374	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.1	-23.6	-177.3	-164.6	70	-146.7	0	0	113.4	Y592 Y599	Y592-E594 WeakPolarHBondContact CE2-OE2 3.36Å; E594-Y599 PolarHBondContact OE1-OH 3.43Å
595	E	86.1	Confident	93	Very high	136 Å²	136	60.1 Å²	60.1	64%	0.636	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90	-20.1	178.3	-61.4	-169.5	170.2	0	0	113.5	D593	D593-E595 PolarHBondContact O-N 2.64Å; D593-E595 PolarHBondContact OD1-N 3.07Å
596	K	88.7	Confident	93.2	Very high	154 Å²	154	59.6 Å²	59.6	67%	0.67	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.5	-22.5	-175.6	-60.5	-178.4	-176	122.8	0	113.8	D593	D593-K596 HydrophobicContact CB-CB 4.13Å; D593-K596 HydrophobicContact CB-CD 4.22Å; D593-K596 HydrophobicContact CB-CG 4.21Å; D593-K596 PolarHBondContact O-N 3.39Å; D593-K596 WeakPolarHBondContact OD2-CE 3.5Å; D593-K596 IonicContact OD2-NZ 2.97Å; D593-K596 PolarHBondContact OD2-NZ 2.64Å
597	V	93.3	Very high	93.1	Very high	19 Å²	19	62.4 Å²	62.4	12%	0.115	31%	0.311	C	S	.	.			trans	-58.3	139.2	-179.9	61.4	0	0	0	0	111.1	V578 Q582 Y592 D593 Y599	V578-V597 HydrophobicContact CG2-CG2 3.65Å; Q582-V597 HydrophobicContact CB-CG2 4.17Å; Q582-V597 HydrophobicContact CG-CG2 4.32Å; Y592-V597 HydrophobicContact CD1-CG2 4.47Å; Y592-V597 HydrophobicContact CD2-CB 3.61Å; Y592-V597 HydrophobicContact CD2-CG1 3.72Å; Y592-V597 HydrophobicContact CD2-CG2 3.83Å; Y592-V597 HydrophobicContact CE2-CB 4.16Å; Y592-V597 HydrophobicContact CE2-CG1 3.87Å; Y592-V597 HydrophobicContact CE2-CG2 4.17Å; Y592-V597 HydrophobicContact CG-CB 4.08Å; Y592-V597 HydrophobicContact CG-CG2 3.99Å; D593-V597 WeakPolarHBondContact O-CB 3.37Å; D593-V597 WeakPolarHBondContact O-CG1 3.35Å; D593-V597 PolarHBondContact O-N 3.36Å; V597-Y599 HydrophobicContact CG1-CD2 4.24Å; V597-Y599 HydrophobicContact CG1-CE1 3.93Å; V597-Y599 HydrophobicContact CG1-CE2 3.48Å; V597-Y599 VanDerWaalsContact CG1-CE2 3.48Å; V597-Y599 WeakPolarHBondContact CG1-OH 3.39Å; V597-Y599 HydrophobicContact CG2-CD1 4.15Å; V597-Y599 HydrophobicContact CG2-CE1 3.76Å
598	K	94.2	Very high	93.2	Very high	157 Å²	157	59.9 Å²	59.9	68%	0.683	30%	0.301	S	S	*	.			trans	-104.3	118.1	175.4	-62.2	176.3	-174.4	171.7	0	108.9
599	Y	94.6	Very high	93.4	Very high	49 Å²	49	60.8 Å²	60.8	19%	0.192	30%	0.304	C	S	.	.			trans	-97	144	177.5	-59.6	-65.1	0	0	0	111.5	Q576 M577 V578 Y592 E594 V597 T667	Q576-Y599 HydrophobicContact CB-CD1 3.92Å; Q576-Y599 HydrophobicContact CB-CD2 4.42Å; Q576-Y599 HydrophobicContact CB-CE1 4.47Å; Q576-Y599 HydrophobicContact CB-CG 3.87Å; Q576-Y599 HydrophobicContact CG-CD2 4.41Å; Q576-Y599 HydrophobicContact CG-CG 4.25Å; M577-Y599 WeakPolarHBondContact O-CA 3.39Å; V578-Y599 HydrophobicContact CB-CD1 4.02Å; V578-Y599 HydrophobicContact CB-CE1 4.04Å; Y592-Y599 WeakPolarHBondContact CE2-OH 3.19Å; Y592-Y599 PolarHBondContact OH-OH 3.27Å; E594-Y599 PolarHBondContact OE1-OH 3.43Å; V597-Y599 HydrophobicContact CG1-CD2 4.24Å; V597-Y599 HydrophobicContact CG1-CE1 3.93Å; V597-Y599 HydrophobicContact CG1-CE2 3.48Å; V597-Y599 VanDerWaalsContact CG1-CE2 3.48Å; V597-Y599 WeakPolarHBondContact CG1-OH 3.39Å; V597-Y599 HydrophobicContact CG2-CD1 4.15Å; V597-Y599 HydrophobicContact CG2-CE1 3.76Å; Y599-T667 HydrophobicContact CD1-CG2 4.36Å; Y599-T667 HydrophobicContact CE1-CG2 3.65Å
600	T	93.9	Very high	93.4	Very high	63 Å²	63	59.6 Å²	59.6	39%	0.387	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	115.2	160.3	-55.8	0	0	0	0	108.2	M577 F602 M621	M577-T600 PolarHBondContact N-O 2.87Å; M577-T600 PolarHBondContact O-N 3.07Å; T600-F602 HydrophobicContact CG2-CD2 4.44Å; T600-F602 HydrophobicContact CG2-CE2 3.62Å; T600-F602 HydrophobicContact CG2-CZ 4.02Å; T600-M621 HydrophobicContact CG2-CE 3.84Å; T600-M621 HydrophobicContact CG2-SD 4.39Å
601	V	95.1	Very high	93.4	Very high	78 Å²	78	63.2 Å²	63.2	47%	0.473	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	126.6	-170.7	-173.5	0	0	0	0	111.2	Q574 V575 Q576	Q574-V601 HydrophobicContact CB-CG1 4.16Å; Q574-V601 HydrophobicContact CG-CG1 4.36Å; V575-V601 WeakPolarHBondContact O-CA 3.42Å; Q576-V601 HydrophobicContact CG-CG2 4.29Å
602	F	94.3	Very high	93.3	Very high	19 Å²	19	68.3 Å²	68.3	8%	0.083	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	131.4	174.5	-67	-96.6	0	0	0	110	Q574 V575 M577 T600 I604 F613 L617 T620 M621	Q574-F602 WeakPolarHBondContact CA-O 3.4Å; V575-F602 PolarHBondContact N-O 3.06Å; V575-F602 PolarHBondContact O-N 3.22Å; M577-F602 HydrophobicContact CB-CE2 4.36Å; M577-F602 HydrophobicContact CG-CD2 3.7Å; M577-F602 HydrophobicContact CG-CE2 3.59Å; T600-F602 HydrophobicContact CG2-CD2 4.44Å; T600-F602 HydrophobicContact CG2-CE2 3.62Å; T600-F602 HydrophobicContact CG2-CZ 4.02Å; F602-I604 HydrophobicContact CB-CG2 4.26Å; F602-F613 HydrophobicContact CB-CE2 4Å; F602-F613 HydrophobicContact CG-CE2 4.14Å; F602-L617 HydrophobicContact CD2-CD1 4.44Å; F602-L617 HydrophobicContact CE1-CD1 4.17Å; F602-L617 HydrophobicContact CE2-CD1 3.68Å; F602-L617 HydrophobicContact CZ-CD1 3.52Å; F602-T620 HydrophobicContact CE1-CG2 3.69Å; F602-T620 HydrophobicContact CZ-CG2 4.01Å; F602-M621 HydrophobicContact CE2-CE 3.93Å; F602-M621 HydrophobicContact CZ-CE 4.07Å; F602-M621 HydrophobicContact CZ-CG 4.4Å; F602-M621 HydrophobicContact CZ-SD 4.33Å
603	K	94.1	Very high	93.3	Very high	140 Å²	140	67.6 Å²	67.6	61%	0.609	34%	0.335	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.8	116.4	170.4	-178.3	-176.8	175.1	-172.6	0	108.4	Y572	Y572-K603 HydrophobicContact CD1-CD 4.27Å; Y572-K603 HydrophobicContact CD1-CG 3.84Å; Y572-K603 HydrophobicContact CG-CD 4.43Å; Y572-K603 HydrophobicContact CG-CG 4.2Å
604	I	93.9	Very high	93.6	Very high	12 Å²	12	65.6 Å²	65.6	6%	0.062	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	159.1	-176	65.4	174	0	0	0	111	Y572 M573 V575 F602 F613 M656	Y572-I604 CarbonylContact C-O 3.56Å; Y572-I604 WeakPolarHBondContact CA-O 3.48Å; Y572-I604 WeakPolarHBondContact CB-O 3.16Å; Y572-I604 WeakPolarHBondContact CD1-O 3.47Å; M573-I604 HydrophobicContact CG-CD1 4.15Å; M573-I604 HydrophobicContact CG-CG1 3.63Å; M573-I604 PolarHBondContact N-O 2.88Å; M573-I604 PolarHBondContact O-N 2.89Å; M573-I604 HydrophobicContact SD-CD1 4.4Å; M573-I604 HydrophobicContact SD-CG1 4.46Å; V575-I604 HydrophobicContact CG2-CD1 3.41Å; V575-I604 VanDerWaalsContact CG2-CD1 3.41Å; V575-I604 HydrophobicContact CG2-CG1 4.03Å; F602-I604 HydrophobicContact CB-CG2 4.26Å; I604-F613 HydrophobicContact CD1-CD2 4.08Å; I604-F613 HydrophobicContact CD1-CE2 4.46Å; I604-F613 HydrophobicContact CD1-CG 4.46Å; I604-F613 HydrophobicContact CG2-CD2 3.84Å; I604-F613 HydrophobicContact CG2-CE2 4.09Å; I604-M656 HydrophobicContact CD1-CB 3.83Å; I604-M656 HydrophobicContact CD1-CE 3.38Å; I604-M656 HydrophobicContact CD1-CG 3.69Å; I604-M656 HydrophobicContact CD1-SD 4.35Å
605	L	93.9	Very high	93.8	Very high	71 Å²	71	67.4 Å²	67.4	37%	0.372	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	138.2	172.7	-72.9	166.7	0	0	0	109.1	Y572 S607 S608	Y572-L605 HydrophobicContact CD1-CD2 4.03Å; Y572-L605 HydrophobicContact CD1-CG 4.26Å; Y572-L605 HydrophobicContact CD2-CD2 4.33Å; Y572-L605 HydrophobicContact CE1-CD2 3.58Å; Y572-L605 HydrophobicContact CE1-CG 3.79Å; Y572-L605 HydrophobicContact CE2-CD2 3.89Å; Y572-L605 HydrophobicContact CG-CD2 4.37Å; Y572-L605 VanDerWaalsContact CZ-CD2 3.48Å; L605-S607 PolarHBondContact O-N 3.41Å; L605-S608 PolarHBondContact O-N 2.8Å; L605-S608 VanDerWaalsContact O-N 3.12Å; L605-S608 PolarHBondContact O-OG 3.13Å
606	K	94.8	Very high	94.1	Very high	43 Å²	43	64.5 Å²	64.5	19%	0.187	32%	0.322	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-33.8	175.6	-76.8	176.6	174.7	176.4	0	112.4	H570 L571 M573 M656 I657	H570-K606 WeakPolarHBondContact O-CD 3.23Å; H570-K606 WeakPolarHBondContact O-CE 3.47Å; H570-K606 PolarHBondContact O-NZ 2.75Å; L571-K606 WeakPolarHBondContact O-CB 3.4Å; L571-K606 WeakPolarHBondContact O-CG 3.45Å; L571-K606 PolarHBondContact O-N 3.18Å; M573-K606 HydrophobicContact CB-CG 3.93Å; M573-K606 HydrophobicContact CG-CG 4.17Å; M573-K606 HydrophobicContact SD-CG 4.31Å; K606-M656 PolarHBondContact O-N 3.48Å; K606-I657 HydrophobicContact CB-CB 3.91Å; K606-I657 HydrophobicContact CB-CG1 4.46Å; K606-I657 HydrophobicContact CB-CG2 4.08Å; K606-I657 HydrophobicContact CD-CD1 4.26Å; K606-I657 HydrophobicContact CD-CG1 4.3Å; K606-I657 HydrophobicContact CG-CB 4.18Å; K606-I657 HydrophobicContact CG-CD1 4.22Å; K606-I657 HydrophobicContact CG-CG1 4.31Å; K606-I657 WeakPolarHBondContact O-CG2 3.33Å; K606-I657 PolarHBondContact O-N 3Å
607	S	94.3	Very high	94.3	Very high	90 Å²	90	57.2 Å²	57.2	63%	0.629	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85	-7.2	-179.8	60.2	0	0	0	0	114.5	L605	L605-S607 PolarHBondContact O-N 3.41Å
608	S	95.7	Very high	94.2	Very high	16 Å²	16	57.2 Å²	57.2	11%	0.112	29%	0.291	C	S	.	.			trans	-64.6	148.4	177.7	61.8	0	0	0	0	110.2	L605 E612 M656	L605-S608 PolarHBondContact O-N 2.8Å; L605-S608 VanDerWaalsContact O-N 3.12Å; L605-S608 PolarHBondContact O-OG 3.13Å; S608-E612 WeakPolarHBondContact CA-OE2 3.43Å; S608-E612 WeakPolarHBondContact CB-OE2 3.41Å; S608-M656 VanDerWaalsContact O-CG 3.25Å; S608-M656 WeakPolarHBondContact O-CG 3.04Å; S608-M656 PolarHBondContact O-N 2.9Å
609	T	96.6	Very high	94	Very high	32 Å²	32	57.4 Å²	57.4	20%	0.196	29%	0.294	C	S	.	.	B	Isolated β-bridge	trans	-80.8	160.5	179.6	66.6	0	0	0	0	111.7	Q611 E612 F613 K654	T609-Q611 VanDerWaalsContact C-N 3.25Å; T609-Q611 PolarHBondContact O-N 3.45Å; T609-E612 PolarHBondContact N-OE2 3.45Å; T609-E612 PolarHBondContact O-N 3.19Å; T609-E612 WeakPolarHBondContact OG1-CG 3.33Å; T609-E612 PolarHBondContact OG1-N 3.16Å; T609-F613 PolarHBondContact O-N 2.85Å; T609-F613 VanDerWaalsContact O-N 3.12Å; T609-K654 WeakPolarHBondContact CA-O 3.34Å
610	L	95.5	Very high	93.8	Very high	1 Å²	1	59.1 Å²	59.1	1%	0.005	31%	0.309	C	S	.	.	H	α-helix	trans	-58.7	-39	173.5	177.9	61.9	0	0	0	111.9	F613 V614 L630 L646 Y648 D651 C652 K654 M656 L659	L610-F613 PolarHBondContact O-N 2.63Å; L610-V614 HydrophobicContact CD1-CG2 4.08Å; L610-V614 HydrophobicContact CG-CG2 4.41Å; L610-V614 WeakPolarHBondContact O-CG2 3.23Å; L610-V614 PolarHBondContact O-N 3.43Å; L610-L630 HydrophobicContact CD1-CD2 4.43Å; L610-L646 HydrophobicContact CD1-CD2 4.05Å; L610-L646 HydrophobicContact CD2-CD2 3.84Å; L610-L646 HydrophobicContact CD2-CG 4.33Å; L610-Y648 HydrophobicContact CD2-CD2 3.78Å; L610-Y648 HydrophobicContact CD2-CE2 4.34Å; L610-Y648 HydrophobicContact CG-CD2 4.02Å; L610-Y648 HydrophobicContact CG-CE2 4.12Å; L610-D651 HydrophobicContact CD2-CB 4.27Å; L610-C652 PolarHBondContact N-O 3.46Å; L610-K654 PolarHBondContact N-O 3.24Å; L610-M656 HydrophobicContact CB-SD 4.4Å; L610-M656 HydrophobicContact CD1-SD 4.05Å; L610-L659 HydrophobicContact CB-CD1 3.69Å; L610-L659 HydrophobicContact CD1-CD1 4.34Å; L610-L659 HydrophobicContact CD2-CD1 4.05Å; L610-L659 HydrophobicContact CG-CD1 4.24Å
611	Q	94.7	Very high	93.4	Very high	98 Å²	98	58.3 Å²	58.3	46%	0.458	30%	0.302	S	S	.	.	H	α-helix	trans	-60.6	-47.3	178.2	-175.6	178.7	15	0	0	112.3	T609 F613 V614 Q615 C652	T609-Q611 VanDerWaalsContact C-N 3.25Å; T609-Q611 PolarHBondContact O-N 3.45Å; Q611-F613 VanDerWaalsContact C-N 3.29Å; Q611-F613 PolarHBondContact O-N 2.9Å; Q611-V614 PolarHBondContact O-N 2.8Å; Q611-Q615 PolarHBondContact O-N 3.27Å; Q611-C652 HydrophobicContact CB-CB 4.48Å; Q611-C652 PolarHBondContact N-O 3.18Å; Q611-C652 VanDerWaalsContact N-O 3.14Å
612	E	94.4	Very high	93.1	Very high	110 Å²	110	57.6 Å²	57.6	51%	0.514	31%	0.31	S	S	.	.	H	α-helix	trans	-60.6	-41.6	176.9	-72.3	172.9	166.7	0	0	111.2	S608 T609 Q615 N616	S608-E612 WeakPolarHBondContact CA-OE2 3.43Å; S608-E612 WeakPolarHBondContact CB-OE2 3.41Å; T609-E612 PolarHBondContact N-OE2 3.45Å; T609-E612 PolarHBondContact O-N 3.19Å; T609-E612 WeakPolarHBondContact OG1-CG 3.33Å; T609-E612 PolarHBondContact OG1-N 3.16Å; E612-Q615 PolarHBondContact O-N 3.02Å; E612-N616 PolarHBondContact O-N 3.19Å
613	F	95.1	Very high	92.6	Very high	3 Å²	3	59.2 Å²	59.2	1%	0.013	32%	0.317	C	S	.	.	H	α-helix	trans	-63.6	-48.1	177.6	176.3	-116.7	0	0	0	112.1	V575 M577 F602 I604 T609 L610 Q611 Q615 N616 L617 L630 M656 I668	V575-F613 HydrophobicContact CB-CE2 4.42Å; V575-F613 HydrophobicContact CB-CZ 4.12Å; V575-F613 HydrophobicContact CG1-CE1 4.19Å; V575-F613 HydrophobicContact CG1-CZ 3.74Å; M577-F613 HydrophobicContact SD-CE1 4.27Å; M577-F613 HydrophobicContact SD-CZ 3.94Å; F602-F613 HydrophobicContact CB-CE2 4Å; F602-F613 HydrophobicContact CG-CE2 4.14Å; I604-F613 HydrophobicContact CD1-CD2 4.08Å; I604-F613 HydrophobicContact CD1-CE2 4.46Å; I604-F613 HydrophobicContact CD1-CG 4.46Å; I604-F613 HydrophobicContact CG2-CD2 3.84Å; I604-F613 HydrophobicContact CG2-CE2 4.09Å; T609-F613 PolarHBondContact O-N 2.85Å; T609-F613 VanDerWaalsContact O-N 3.12Å; L610-F613 PolarHBondContact O-N 2.63Å; Q611-F613 VanDerWaalsContact C-N 3.29Å; Q611-F613 PolarHBondContact O-N 2.9Å; F613-Q615 VanDerWaalsContact C-N 3.3Å; F613-Q615 PolarHBondContact O-N 3.37Å; F613-N616 PolarHBondContact O-N 3.11Å; F613-L617 HydrophobicContact CE1-CD2 4.36Å; F613-L617 VanDerWaalsContact O-CB 3.32Å; F613-L617 WeakPolarHBondContact O-CB 3.1Å; F613-L617 PolarHBondContact O-N 3.48Å; F613-L630 HydrophobicContact CD1-CD2 4.1Å; F613-L630 HydrophobicContact CE1-CD2 3.79Å; F613-M656 HydrophobicContact CB-CE 3.97Å; F613-M656 HydrophobicContact CB-CG 4.41Å; F613-M656 HydrophobicContact CB-SD 3.89Å; F613-M656 HydrophobicContact CD1-CE 3.33Å; F613-M656 HydrophobicContact CD1-SD 4.05Å; F613-M656 HydrophobicContact CD2-CE 4.17Å; F613-M656 HydrophobicContact CE1-CE 3.79Å; F613-M656 HydrophobicContact CG-CE 3.53Å; F613-M656 HydrophobicContact CG-SD 4.12Å; F613-M656 HydrophobicContact CZ-CE 4.37Å; F613-I668 HydrophobicContact CE1-CD1 4.29Å
614	V	94.3	Very high	92.3	Very high	6 Å²	6	55.3 Å²	55.3	4%	0.036	31%	0.306	C	S	.	.	H	α-helix	trans	-63.1	-37	179.5	170.6	0	0	0	0	111.4	L610 Q611 L617 S618 Q625 L630 Y648	L610-V614 HydrophobicContact CD1-CG2 4.08Å; L610-V614 HydrophobicContact CG-CG2 4.41Å; L610-V614 WeakPolarHBondContact O-CG2 3.23Å; L610-V614 PolarHBondContact O-N 3.43Å; Q611-V614 PolarHBondContact O-N 2.8Å; V614-L617 PolarHBondContact O-N 2.92Å; V614-S618 WeakPolarHBondContact O-CB 3.25Å; V614-S618 PolarHBondContact O-N 3.04Å; V614-S618 PolarHBondContact O-OG 2.86Å; V614-Q625 HydrophobicContact CG1-CG 4.16Å; V614-L630 HydrophobicContact CG2-CD1 3.98Å; V614-L630 HydrophobicContact CG2-CD2 4Å; V614-Y648 HydrophobicContact CB-CE2 4.04Å; V614-Y648 HydrophobicContact CG1-CE2 4.26Å; V614-Y648 HydrophobicContact CG2-CD2 4.26Å; V614-Y648 HydrophobicContact CG2-CE2 3.73Å
615	Q	92.5	Very high	91.9	Very high	118 Å²	118	59.1 Å²	59.1	55%	0.551	32%	0.324	S	S	*	.	H	α-helix	trans	-62.3	-47.1	173.9	-173.2	176	1.7	0	0	111.8	Q611 E612 F613 S618 Q619	Q611-Q615 PolarHBondContact O-N 3.27Å; E612-Q615 PolarHBondContact O-N 3.02Å; F613-Q615 VanDerWaalsContact C-N 3.3Å; F613-Q615 PolarHBondContact O-N 3.37Å; Q615-S618 PolarHBondContact O-N 3.36Å; Q615-S618 PolarHBondContact O-OG 3.31Å; Q615-Q619 PolarHBondContact O-N 2.77Å
616	N	91.9	Very high	91.5	Very high	76 Å²	76	60.5 Å²	60.5	41%	0.406	33%	0.331	S	S	.	.	H	α-helix	trans	-64.6	-41.2	177	-171.6	-3.8	0	0	0	112.1	E612 F613 S618 Q619 T620	E612-N616 PolarHBondContact O-N 3.19Å; F613-N616 PolarHBondContact O-N 3.11Å; N616-S618 PolarHBondContact O-N 3.29Å; N616-Q619 PolarHBondContact O-N 3.25Å; N616-T620 WeakPolarHBondContact O-CB 3.48Å; N616-T620 PolarHBondContact O-N 3.47Å; N616-T620 PolarHBondContact O-OG1 3.04Å; N616-T620 PolarHBondContact OD1-OG1 3.05Å
617	L	93	Very high	91.3	Very high	0 Å²	0	59.6 Å²	59.6	0%	0	33%	0.328	C	S	.	.	H	α-helix	trans	-59.6	-46.2	176.2	-177.7	66.5	0	0	0	111	M577 F602 F613 V614 Q619 T620 M621 M628 L630 L670	M577-L617 HydrophobicContact CE-CD1 4.47Å; M577-L617 HydrophobicContact CE-CD2 3.92Å; M577-L617 HydrophobicContact CG-CD1 4.09Å; F602-L617 HydrophobicContact CD2-CD1 4.44Å; F602-L617 HydrophobicContact CE1-CD1 4.17Å; F602-L617 HydrophobicContact CE2-CD1 3.68Å; F602-L617 HydrophobicContact CZ-CD1 3.52Å; F613-L617 HydrophobicContact CE1-CD2 4.36Å; F613-L617 VanDerWaalsContact O-CB 3.32Å; F613-L617 WeakPolarHBondContact O-CB 3.1Å; F613-L617 PolarHBondContact O-N 3.48Å; V614-L617 PolarHBondContact O-N 2.92Å; L617-Q619 VanDerWaalsContact C-N 3.34Å; L617-Q619 PolarHBondContact O-N 3.48Å; L617-T620 PolarHBondContact O-N 3.23Å; L617-M621 HydrophobicContact CD1-CE 4.07Å; L617-M621 HydrophobicContact CD1-CG 3.62Å; L617-M621 HydrophobicContact CG-CG 4.22Å; L617-M621 WeakPolarHBondContact O-CB 3.04Å; L617-M621 WeakPolarHBondContact O-CG 3.42Å; L617-M621 PolarHBondContact O-N 2.9Å; L617-M628 HydrophobicContact CD2-SD 4.16Å; L617-M628 HydrophobicContact CG-SD 4.34Å; L617-L630 HydrophobicContact CD2-CD1 4.04Å; L617-L630 HydrophobicContact CD2-CD2 4.2Å; L617-L630 HydrophobicContact CD2-CG 4.29Å; L617-L670 HydrophobicContact CD2-CD1 3.99Å
618	S	91.6	Very high	91.2	Very high	19 Å²	19	56 Å²	56	13%	0.133	30%	0.301	C	S	.	.	H	α-helix	trans	-58.8	-43.5	178.7	72.8	0	0	0	0	112.7	V614 Q615 N616 G622 F623	V614-S618 WeakPolarHBondContact O-CB 3.25Å; V614-S618 PolarHBondContact O-N 3.04Å; V614-S618 PolarHBondContact O-OG 2.86Å; Q615-S618 PolarHBondContact O-N 3.36Å; Q615-S618 PolarHBondContact O-OG 3.31Å; N616-S618 PolarHBondContact O-N 3.29Å; S618-G622 WeakPolarHBondContact O-CA 3.3Å; S618-G622 PolarHBondContact O-N 2.77Å; S618-F623 WeakPolarHBondContact CA-O 3.44Å; S618-F623 VanDerWaalsContact CB-O 3.28Å; S618-F623 WeakPolarHBondContact CB-O 3.44Å; S618-F623 PolarHBondContact O-N 3.43Å
619	Q	90.3	Very high	91.1	Very high	162 Å²	162	58 Å²	58	76%	0.757	31%	0.306	S	S	*	.	H	α-helix	trans	-69	-39.9	178	-172.5	178	7	0	0	112.2	Q615 N616 L617	Q615-Q619 PolarHBondContact O-N 2.77Å; N616-Q619 PolarHBondContact O-N 3.25Å; L617-Q619 VanDerWaalsContact C-N 3.34Å; L617-Q619 PolarHBondContact O-N 3.48Å
620	T	89.9	Confident	91	Very high	84 Å²	84	57.2 Å²	57.2	52%	0.515	30%	0.301	S	S	.	.	H	α-helix	trans	-74.9	-41.1	-176.2	-56.5	0	0	0	0	112.1	F602 N616 L617	F602-T620 HydrophobicContact CE1-CG2 3.69Å; F602-T620 HydrophobicContact CZ-CG2 4.01Å; N616-T620 WeakPolarHBondContact O-CB 3.48Å; N616-T620 PolarHBondContact O-N 3.47Å; N616-T620 PolarHBondContact O-OG1 3.04Å; N616-T620 PolarHBondContact OD1-OG1 3.05Å; L617-T620 PolarHBondContact O-N 3.23Å
621	M	86.8	Confident	91.1	Very high	47 Å²	47	57.2 Å²	57.2	23%	0.232	30%	0.301	C	S	.	.	H	α-helix	trans	-82.8	-16.5	179.8	-63.7	-64.3	-147.6	0	0	112.7	M577 T600 F602 L617 F623 L670	M577-M621 HydrophobicContact CB-CE 4.12Å; M577-M621 HydrophobicContact CG-CE 4.39Å; T600-M621 HydrophobicContact CG2-CE 3.84Å; T600-M621 HydrophobicContact CG2-SD 4.39Å; F602-M621 HydrophobicContact CE2-CE 3.93Å; F602-M621 HydrophobicContact CZ-CE 4.07Å; F602-M621 HydrophobicContact CZ-CG 4.4Å; F602-M621 HydrophobicContact CZ-SD 4.33Å; L617-M621 HydrophobicContact CD1-CE 4.07Å; L617-M621 HydrophobicContact CD1-CG 3.62Å; L617-M621 HydrophobicContact CG-CG 4.22Å; L617-M621 WeakPolarHBondContact O-CB 3.04Å; L617-M621 WeakPolarHBondContact O-CG 3.42Å; L617-M621 PolarHBondContact O-N 2.9Å; M621-F623 VanDerWaalsContact C-N 3.34Å; M621-F623 HydrophobicContact CB-CD2 3.94Å; M621-F623 WeakPolarHBondContact O-CD2 3.4Å; M621-L670 HydrophobicContact CE-CD2 3.93Å; M621-L670 HydrophobicContact CG-CD2 4.22Å
622	G	87.1	Confident	91.2	Very high	62 Å²	62	53.2 Å²	53.2	64%	0.639	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	75	22	179.4	0	0	0	0	0	114.1	S618	S618-G622 WeakPolarHBondContact O-CA 3.3Å; S618-G622 PolarHBondContact O-N 2.77Å
623	F	85.2	Confident	91.3	Very high	53 Å²	53	48 Å²	48	23%	0.232	26%	0.259	C	S	.	.			trans	-108.3	138.8	175.5	-71.7	-86.9	0	0	0	110.3	S618 M621 M628 T672	S618-F623 WeakPolarHBondContact CA-O 3.44Å; S618-F623 VanDerWaalsContact CB-O 3.28Å; S618-F623 WeakPolarHBondContact CB-O 3.44Å; S618-F623 PolarHBondContact O-N 3.43Å; M621-F623 VanDerWaalsContact C-N 3.34Å; M621-F623 HydrophobicContact CB-CD2 3.94Å; M621-F623 WeakPolarHBondContact O-CD2 3.4Å; F623-M628 HydrophobicContact CB-CE 3.4Å; F623-M628 VanDerWaalsContact CB-CE 3.4Å; F623-M628 WeakPolarHBondContact O-CE 3.23Å; F623-T672 HydrophobicContact CD1-CG2 4.35Å; F623-T672 HydrophobicContact CD2-CG2 4.2Å; F623-T672 HydrophobicContact CE1-CG2 4.31Å; F623-T672 HydrophobicContact CE2-CG2 4.16Å; F623-T672 HydrophobicContact CG-CG2 4.29Å; F623-T672 HydrophobicContact CZ-CG2 4.21Å
624	P	87.3	Confident	91.2	Very high	59 Å²	59	53.5 Å²	53.5	38%	0.383	29%	0.285	S	S	.	.			trans	-57	149.1	165.4	-25.2	35.5	0	0	0	112.5	D626 Q627 M628	P624-D626 VanDerWaalsContact C-N 3.25Å; P624-D626 WeakPolarHBondContact CB-OD1 3.28Å; P624-D626 PolarHBondContact O-N 3.28Å; P624-Q627 HydrophobicContact CB-CB 4.28Å; P624-Q627 HydrophobicContact CB-CG 4.08Å; P624-Q627 VanDerWaalsContact CD-OE1 3.22Å; P624-Q627 HydrophobicContact CG-CG 4.22Å; P624-Q627 PolarHBondContact O-N 3.43Å; P624-M628 VanDerWaalsContact O-CE 3.28Å; P624-M628 WeakPolarHBondContact O-CE 3.49Å
625	Q	85.8	Confident	91.2	Very high	91 Å²	91	56.8 Å²	56.8	43%	0.425	31%	0.313	S	S	.	.	G	3₁₀ helix	trans	-63.9	-29.7	-178.6	-67.2	-176.6	11.9	0	0	113.1	V614 Q627	V614-Q625 HydrophobicContact CG1-CG 4.16Å; Q625-Q627 VanDerWaalsContact C-N 3.25Å; Q625-Q627 PolarHBondContact O-N 3.18Å
626	D	85.4	Confident	91.2	Very high	100 Å²	100	53.6 Å²	53.6	54%	0.535	30%	0.296	S	S	.	.	G	3₁₀ helix	trans	-80.4	-4	176.4	60.3	-26.6	0	0	0	113.6	P624 L684	P624-D626 VanDerWaalsContact C-N 3.25Å; P624-D626 WeakPolarHBondContact CB-OD1 3.28Å; P624-D626 PolarHBondContact O-N 3.28Å; D626-L684 PolarHBondContact O-N 2.96Å
627	Q	89.4	Confident	91	Very high	25 Å²	25	56.3 Å²	56.3	12%	0.117	32%	0.321	C	S	.	.	G	3₁₀ helix	trans	-108.1	7.9	175.8	-65.5	-171.9	-14.1	0	0	113	P624 Q625 T672 V673 A682	P624-Q627 HydrophobicContact CB-CB 4.28Å; P624-Q627 HydrophobicContact CB-CG 4.08Å; P624-Q627 VanDerWaalsContact CD-OE1 3.22Å; P624-Q627 HydrophobicContact CG-CG 4.22Å; P624-Q627 PolarHBondContact O-N 3.43Å; Q625-Q627 VanDerWaalsContact C-N 3.25Å; Q625-Q627 PolarHBondContact O-N 3.18Å; Q627-T672 WeakPolarHBondContact O-CA 3.37Å; Q627-V673 HydrophobicContact CB-CB 4.42Å; Q627-V673 HydrophobicContact CB-CG2 3.77Å; Q627-V673 HydrophobicContact CG-CG2 3.98Å; Q627-V673 PolarHBondContact O-N 3.23Å; Q627-A682 PolarHBondContact NE2-O 2.64Å
628	M	92.1	Very high	90.7	Very high	13 Å²	13	58.8 Å²	58.8	6%	0.064	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	152.8	176.8	70	-178.2	77.2	0	0	112.6	L617 F623 P624 L670 E671 L684	L617-M628 HydrophobicContact CD2-SD 4.16Å; L617-M628 HydrophobicContact CG-SD 4.34Å; F623-M628 HydrophobicContact CB-CE 3.4Å; F623-M628 VanDerWaalsContact CB-CE 3.4Å; F623-M628 WeakPolarHBondContact O-CE 3.23Å; P624-M628 VanDerWaalsContact O-CE 3.28Å; P624-M628 WeakPolarHBondContact O-CE 3.49Å; M628-L670 HydrophobicContact CB-CD1 3.98Å; M628-L670 HydrophobicContact SD-CD1 4.38Å; M628-E671 CarbonylContact C-O 3.53Å; M628-E671 WeakPolarHBondContact CA-O 3.39Å; M628-L684 VanDerWaalsContact C-CD1 3.45Å
629	R	93.6	Very high	90.6	Very high	58 Å²	58	61 Å²	61	22%	0.219	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142	140	172.3	-175.3	176.4	-68.9	143.4	1.6	109.8	W631 E671 L684 P685 Y714	R629-W631 VanDerWaalsContact CD-CZ2 3.43Å; R629-W631 HydrophobicContact CG-CZ2 4.32Å; R629-E671 HydrophobicContact CB-CB 4.36Å; R629-E671 WeakPolarHBondContact CB-OE2 3.49Å; R629-E671 PolarHBondContact N-O 2.78Å; R629-E671 IonicContact NH1-OE2 3.52Å; R629-E671 PolarHBondContact O-N 2.91Å; R629-L684 HydrophobicContact CB-CD1 3.89Å; R629-P685 PolarHBondContact NH1-O 3.31Å; R629-P685 PolarHBondContact NH2-O 3.39Å; R629-Y714 PolarHBondContact NH1-OH 3.48Å
630	L	95.4	Very high	90.7	Very high	16 Å²	16	53.4 Å²	53.4	8%	0.084	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	126.2	-177.4	-75.8	73.8	0	0	0	109.2	M577 L610 F613 V614 L617 I668 L670	M577-L630 HydrophobicContact CE-CG 4.39Å; L610-L630 HydrophobicContact CD1-CD2 4.43Å; F613-L630 HydrophobicContact CD1-CD2 4.1Å; F613-L630 HydrophobicContact CE1-CD2 3.79Å; V614-L630 HydrophobicContact CG2-CD1 3.98Å; V614-L630 HydrophobicContact CG2-CD2 4Å; L617-L630 HydrophobicContact CD2-CD1 4.04Å; L617-L630 HydrophobicContact CD2-CD2 4.2Å; L617-L630 HydrophobicContact CD2-CG 4.29Å; L630-I668 HydrophobicContact CB-CG2 3.84Å; L630-I668 HydrophobicContact CD2-CD1 4.24Å; L630-I668 HydrophobicContact CD2-CG2 4.34Å; L630-I668 HydrophobicContact CG-CG2 4.12Å; L630-L670 HydrophobicContact CD1-CD1 4.23Å; L630-L670 HydrophobicContact CG-CD1 4.47Å
631	W	96.9	Very high	90.9	Very high	2 Å²	2	51.3 Å²	51.3	1%	0.008	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	96.8	177.1	-63.4	94.3	0	0	0	109.5	R629 M633 P643 A644 M645 F669 E671 F687 M694 Y714 D770	R629-W631 VanDerWaalsContact CD-CZ2 3.43Å; R629-W631 HydrophobicContact CG-CZ2 4.32Å; W631-M633 PolarHBondContact O-N 3.42Å; W631-P643 HydrophobicContact CB-CB 3.95Å; W631-A644 CarbonylContact C-O 3.3Å; W631-A644 WeakPolarHBondContact CA-O 3.49Å; W631-M645 HydrophobicContact CE3-CB 4.44Å; W631-M645 HydrophobicContact CZ3-CB 3.92Å; W631-M645 HydrophobicContact CZ3-CG 4.1Å; W631-F669 HydrophobicContact CB-CB 4.15Å; W631-F669 HydrophobicContact CB-CD1 3.79Å; W631-F669 HydrophobicContact CB-CG 4.41Å; W631-F669 AromaticContact CD1-CD1 3.83Å; W631-F669 HydrophobicContact CG-CD1 4.01Å; W631-F669 PolarHBondContact N-O 3.04Å; W631-F669 WeakPolarHBondContact O-CB 3.42Å; W631-F669 PolarHBondContact O-N 2.74Å; W631-E671 PolarHBondContact NE1-OE2 3.42Å; W631-F687 HydrophobicContact CH2-CD1 4Å; W631-F687 HydrophobicContact CH2-CD2 4.27Å; W631-F687 AromaticContact CH2-CE1 3.76Å; W631-F687 HydrophobicContact CH2-CE1 3.76Å; W631-F687 HydrophobicContact CH2-CE2 4.05Å; W631-F687 HydrophobicContact CH2-CG 4.25Å; W631-F687 AromaticContact CH2-CZ 3.8Å; W631-F687 HydrophobicContact CH2-CZ 3.8Å; W631-F687 HydrophobicContact CZ3-CE1 4.38Å; W631-F687 HydrophobicContact CZ3-CZ 4.43Å; W631-M694 HydrophobicContact CB-CE 4.47Å; W631-M694 HydrophobicContact CD2-CE 3.29Å; W631-M694 HydrophobicContact CD2-SD 4.08Å; W631-M694 HydrophobicContact CE3-CE 3.42Å; W631-M694 VanDerWaalsContact CE3-CE 3.42Å; W631-M694 HydrophobicContact CG-CE 3.78Å; W631-M694 HydrophobicContact CH2-CB 4.02Å; W631-M694 HydrophobicContact CH2-CE 3.99Å; W631-M694 HydrophobicContact CH2-SD 4.2Å; W631-M694 HydrophobicContact CZ2-CB 4.38Å; W631-M694 HydrophobicContact CZ2-CE 3.87Å; W631-M694 HydrophobicContact CZ2-SD 3.7Å; W631-M694 HydrophobicContact CZ3-CB 4.4Å; W631-M694 HydrophobicContact CZ3-CE 3.78Å; W631-Y714 HydrophobicContact CH2-CE1 4.32Å; W631-Y714 AromaticContact CZ2-CE1 3.84Å; W631-Y714 HydrophobicContact CZ2-CE1 3.84Å; W631-Y714 WeakPolarHBondContact CZ2-OH 3.36Å; W631-D770 HydrophobicContact CZ3-CB 4.13Å
632	P	96.8	Very high	91.4	Very high	13 Å²	13	49.2 Å²	49.2	8%	0.084	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-54	134.2	178.2	-28.6	36.3	0	0	0	112.1	Q634 P643 A644 L646 W666	P632-Q634 PolarHBondContact O-N 2.97Å; P632-P643 CarbonylContact O-C 3.58Å; P632-A644 VanDerWaalsContact CD-O 3.27Å; P632-A644 WeakPolarHBondContact CD-O 3.25Å; P632-A644 PolarHBondContact O-N 3.43Å; P632-L646 HydrophobicContact CG-CB 3.79Å; P632-L646 HydrophobicContact CG-CD1 4.35Å; P632-L646 HydrophobicContact CG-CD2 4.06Å; P632-L646 HydrophobicContact CG-CG 4.3Å; P632-W666 HydrophobicContact CB-CZ2 3.73Å; P632-W666 HydrophobicContact CG-CH2 4.21Å; P632-W666 HydrophobicContact CG-CZ2 3.59Å
633	M	96.9	Very high	91.9	Very high	1 Å²	1	46.2 Å²	46.2	1%	0.005	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	101.8	176.6	-68.9	-64.4	-57.9	0	0	109.3	V578 M591 Y592 W631 K641 R642 P643 T667 F669	V578-M633 HydrophobicContact CG1-CG 4.43Å; M591-M633 HydrophobicContact CG-CE 4.32Å; Y592-M633 HydrophobicContact CE1-CE 3.83Å; Y592-M633 HydrophobicContact CE1-SD 4.42Å; W631-M633 PolarHBondContact O-N 3.42Å; M633-K641 HydrophobicContact CB-CD 4.4Å; M633-K641 HydrophobicContact CB-CG 4.16Å; M633-K641 HydrophobicContact CE-CG 4.17Å; M633-K641 WeakPolarHBondContact CE-O 3.33Å; M633-K641 WeakPolarHBondContact O-CE 3.43Å; M633-R642 CarbonylContact C-O 3.55Å; M633-P643 HydrophobicContact CE-CG 4.36Å; M633-P643 HydrophobicContact SD-CB 4.14Å; M633-P643 HydrophobicContact SD-CG 3.58Å; M633-P643 VanDerWaalsContact SD-CG 3.58Å; M633-T667 HydrophobicContact CB-CG2 4.12Å; M633-T667 WeakPolarHBondContact CB-O 3.37Å; M633-T667 HydrophobicContact CG-CG2 3.93Å; M633-T667 PolarHBondContact N-O 2.64Å; M633-F669 HydrophobicContact CG-CB 4.44Å; M633-F669 HydrophobicContact SD-CB 3.98Å
634	Q	94	Very high	92.3	Very high	118 Å²	118	44.3 Å²	44.3	55%	0.551	26%	0.261	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99	133.4	-176.2	-160.8	168.7	32.4	0	0	111.6	P632 K641 R642 A644	P632-Q634 PolarHBondContact O-N 2.97Å; Q634-K641 WeakPolarHBondContact O-CA 3.48Å; Q634-R642 PolarHBondContact N-O 2.9Å; Q634-R642 PolarHBondContact O-N 3.02Å; Q634-A644 HydrophobicContact CB-CB 3.82Å
635	A	92.9	Very high	92.6	Very high	76 Å²	76	45 Å²	45	63%	0.628	26%	0.26	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.3	120.6	171.2	0	0	0	0	0	109.9	T640	A635-T640 CarbonylContact C-O 3.59Å; A635-T640 WeakPolarHBondContact CA-O 3.36Å
636	R	92.2	Very high	92.9	Very high	50 Å²	50	42.1 Å²	42.1	19%	0.189	25%	0.248	C	C	.	.	P	Polyproline II helix	trans	-84.7	161.9	178.4	-61.8	-171.5	-178.2	177.8	6.2	111.1	N638 G639 T640 D770 D772	R636-N638 PolarHBondContact O-N 2.86Å; R636-N638 VanDerWaalsContact O-N 3.1Å; R636-G639 PolarHBondContact O-N 3.35Å; R636-T640 PolarHBondContact N-O 3.26Å; R636-D770 PolarHBondContact NH2-O 3.34Å; R636-D772 IonicContact CZ-OD1 3.14Å; R636-D772 VanDerWaalsContact CZ-OD1 3.23Å; R636-D772 IonicContact NH1-OD1 3.85Å; R636-D772 PolarHBondContact NH1-OD1 2.93Å; R636-D772 IonicContact NH2-OD1 2.68Å; R636-D772 PolarHBondContact NH2-OD1 2.78Å
637	S	88.9	Confident	93.1	Very high	134 Å²	134	38.8 Å²	38.8	94%	0.937	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.5	-25.4	-179	61.7	0	0	0	0	113.9	G639	S637-G639 VanDerWaalsContact C-N 3.31Å
638	N	87.3	Confident	93.1	Very high	52 Å²	52	41.7 Å²	41.7	28%	0.278	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.4	1.3	-179.2	69	5	0	0	0	113.9	R636 T640 V746 K747	R636-N638 PolarHBondContact O-N 2.86Å; R636-N638 VanDerWaalsContact O-N 3.1Å; N638-T640 PolarHBondContact OD1-N 2.73Å; N638-T640 PolarHBondContact OD1-OG1 2.87Å; N638-V746 PolarHBondContact ND2-O 2.92Å; N638-K747 HydrophobicContact CB-CD 4.13Å
639	G	88.3	Confident	92.8	Very high	66 Å²	66	49.2 Å²	49.2	68%	0.68	28%	0.275	S	S	*	.	S	Bend	trans	87.2	11.1	176.2	0	0	0	0	0	115.5	R636 S637	R636-G639 PolarHBondContact O-N 3.35Å; S637-G639 VanDerWaalsContact C-N 3.31Å
640	T	93.3	Very high	92.6	Very high	1 Å²	1	49.6 Å²	49.6	1%	0.006	29%	0.29	C	S	.	.			trans	-89.1	155.1	168.2	60.3	0	0	0	0	111.2	D590 A635 R636 N638 K747	D590-T640 WeakPolarHBondContact OD1-CB 3.47Å; D590-T640 WeakPolarHBondContact OD1-CG2 3.41Å; D590-T640 VanDerWaalsContact OD2-CA 3.25Å; D590-T640 WeakPolarHBondContact OD2-CA 3.45Å; D590-T640 VanDerWaalsContact OD2-CB 3.29Å; D590-T640 WeakPolarHBondContact OD2-CB 3.31Å; A635-T640 CarbonylContact C-O 3.59Å; A635-T640 WeakPolarHBondContact CA-O 3.36Å; R636-T640 PolarHBondContact N-O 3.26Å; N638-T640 PolarHBondContact OD1-N 2.73Å; N638-T640 PolarHBondContact OD1-OG1 2.87Å; T640-K747 HydrophobicContact CG2-CB 3.89Å
641	K	94.3	Very high	92.5	Very high	41 Å²	41	50 Å²	50	18%	0.178	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	112.6	172.4	-169.7	171.6	176.7	171.3	0	108.6	D590 M633 Q634 E663 T667	D590-K641 PolarHBondContact OD2-N 3.31Å; M633-K641 HydrophobicContact CB-CD 4.4Å; M633-K641 HydrophobicContact CB-CG 4.16Å; M633-K641 HydrophobicContact CE-CG 4.17Å; M633-K641 WeakPolarHBondContact CE-O 3.33Å; M633-K641 WeakPolarHBondContact O-CE 3.43Å; Q634-K641 WeakPolarHBondContact O-CA 3.48Å; K641-E663 IonicContact NZ-OE1 3.81Å; K641-T667 PolarHBondContact NZ-OG1 3.07Å; K641-T667 VanDerWaalsContact NZ-OG1 3.08Å
642	R	96.3	Very high	92.2	Very high	2 Å²	2	51 Å²	51	1%	0.008	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	151.3	-171.3	-61.8	-62.9	-177	79.8	3.2	111.4	D590 M633 Q634 A644 E745 G771	D590-R642 IonicContact OD1-CZ 2.74Å; D590-R642 IonicContact OD1-NE 2.83Å; D590-R642 PolarHBondContact OD1-NE 2.91Å; D590-R642 IonicContact OD1-NH2 2.68Å; D590-R642 PolarHBondContact OD1-NH2 2.83Å; M633-R642 CarbonylContact C-O 3.55Å; Q634-R642 PolarHBondContact N-O 2.9Å; Q634-R642 PolarHBondContact O-N 3.02Å; R642-A644 PolarHBondContact O-N 3.3Å; R642-E745 PolarHBondContact NH2-O 2.78Å; R642-E745 IonicContact NH2-OE1 3.5Å; R642-G771 WeakPolarHBondContact CD-O 3.45Å; R642-G771 PolarHBondContact NH1-O 3.05Å; R642-G771 VanDerWaalsContact NH1-O 3.08Å
643	P	97	Very high	92.1	Very high	0 Å²	0	56.2 Å²	56.2	0%	0	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.9	133.2	169	-20.5	32.5	0	0	0	109.9	M591 W631 P632 M633 F669 M694 F696 D770 G771	M591-P643 HydrophobicContact CG-CG 4.27Å; W631-P643 HydrophobicContact CB-CB 3.95Å; P632-P643 CarbonylContact O-C 3.58Å; M633-P643 HydrophobicContact CE-CG 4.36Å; M633-P643 HydrophobicContact SD-CB 4.14Å; M633-P643 HydrophobicContact SD-CG 3.58Å; M633-P643 VanDerWaalsContact SD-CG 3.58Å; P643-F669 HydrophobicContact CB-CB 4.48Å; P643-F669 HydrophobicContact CB-CD1 4.13Å; P643-F669 HydrophobicContact CG-CB 4.39Å; P643-F669 HydrophobicContact CG-CD1 4.12Å; P643-M694 HydrophobicContact CB-CE 4.05Å; P643-F696 HydrophobicContact CB-CE2 4.18Å; P643-F696 HydrophobicContact CB-CZ 4.37Å; P643-F696 HydrophobicContact CG-CE2 3.66Å; P643-F696 HydrophobicContact CG-CZ 3.71Å; P643-D770 CarbonylContact O-C 3.53Å; P643-G771 WeakPolarHBondContact O-CA 3.4Å
644	A	94.9	Very high	92	Very high	13 Å²	13	61.1 Å²	61.1	11%	0.107	35%	0.348	C	S	.	.			trans	-123.4	157.1	176.6	0	0	0	0	0	109.4	W631 P632 Q634 R642	W631-A644 CarbonylContact C-O 3.3Å; W631-A644 WeakPolarHBondContact CA-O 3.49Å; P632-A644 VanDerWaalsContact CD-O 3.27Å; P632-A644 WeakPolarHBondContact CD-O 3.25Å; P632-A644 PolarHBondContact O-N 3.43Å; Q634-A644 HydrophobicContact CB-CB 3.82Å; R642-A644 PolarHBondContact O-N 3.3Å
645	M	93.6	Very high	92	Very high	72 Å²	72	56.5 Å²	56.5	36%	0.355	33%	0.329	S	S	.	.			trans	-70.7	139.8	-179.1	-168.3	-145.2	69.6	0	0	111.6	W631 D647 F687 K689	W631-M645 HydrophobicContact CE3-CB 4.44Å; W631-M645 HydrophobicContact CZ3-CB 3.92Å; W631-M645 HydrophobicContact CZ3-CG 4.1Å; M645-D647 HydrophobicContact CE-CB 3.94Å; M645-F687 HydrophobicContact CG-CE1 4.07Å; M645-F687 HydrophobicContact SD-CE1 4.35Å; M645-K689 HydrophobicContact SD-CB 3.4Å; M645-K689 WeakPolarHBondContact SD-CB 3.32Å; M645-K689 HydrophobicContact SD-CD 4.45Å
646	L	92.1	Very high	92.1	Very high	32 Å²	32	52.9 Å²	52.9	17%	0.168	30%	0.299	C	S	.	.			trans	-120.8	124.8	166.5	-178.1	68.1	0	0	0	109	L610 P632 Y648 D651 L659 W666	L610-L646 HydrophobicContact CD1-CD2 4.05Å; L610-L646 HydrophobicContact CD2-CD2 3.84Å; L610-L646 HydrophobicContact CD2-CG 4.33Å; P632-L646 HydrophobicContact CG-CB 3.79Å; P632-L646 HydrophobicContact CG-CD1 4.35Å; P632-L646 HydrophobicContact CG-CD2 4.06Å; P632-L646 HydrophobicContact CG-CG 4.3Å; L646-Y648 PolarHBondContact O-N 2.83Å; L646-Y648 VanDerWaalsContact O-N 3.15Å; L646-D651 HydrophobicContact CD1-CB 4.46Å; L646-L659 HydrophobicContact CD1-CD2 4.26Å; L646-W666 HydrophobicContact CD2-CH2 4.46Å
647	D	89.9	Confident	92.2	Very high	29 Å²	29	51.6 Å²	51.6	16%	0.155	30%	0.296	C	S	.	.			trans	-85.5	89.6	179.9	-174.1	-13.3	0	0	0	110	M645 E649 A650 D651 K689	M645-D647 HydrophobicContact CE-CB 3.94Å; D647-E649 PolarHBondContact O-N 2.99Å; D647-E649 PolarHBondContact OD1-N 3.48Å; D647-A650 HydrophobicContact CB-CB 4.07Å; D647-A650 PolarHBondContact O-N 2.62Å; D647-A650 PolarHBondContact OD1-N 2.82Å; D647-A650 WeakPolarHBondContact OD2-CB 3.47Å; D647-D651 WeakPolarHBondContact O-CB 3.46Å; D647-D651 PolarHBondContact O-N 3.35Å; D647-K689 IonicContact OD2-NZ 2.63Å; D647-K689 PolarHBondContact OD2-NZ 3.47Å
648	Y	87.8	Confident	92.5	Very high	86 Å²	86	50.4 Å²	50.4	34%	0.337	28%	0.279	S	S	.	.	H	α-helix	trans	-54.7	-37.6	-178	-178	-97.2	0	0	0	113.1	L610 V614 L646 C652	L610-Y648 HydrophobicContact CD2-CD2 3.78Å; L610-Y648 HydrophobicContact CD2-CE2 4.34Å; L610-Y648 HydrophobicContact CG-CD2 4.02Å; L610-Y648 HydrophobicContact CG-CE2 4.12Å; V614-Y648 HydrophobicContact CB-CE2 4.04Å; V614-Y648 HydrophobicContact CG1-CE2 4.26Å; V614-Y648 HydrophobicContact CG2-CD2 4.26Å; V614-Y648 HydrophobicContact CG2-CE2 3.73Å; L646-Y648 PolarHBondContact O-N 2.83Å; L646-Y648 VanDerWaalsContact O-N 3.15Å; Y648-C652 WeakPolarHBondContact O-CA 3.44Å; Y648-C652 WeakPolarHBondContact O-CB 3.48Å; Y648-C652 PolarHBondContact O-N 3.06Å
649	E	86.6	Confident	92.8	Very high	172 Å²	172	49.4 Å²	49.4	80%	0.804	27%	0.273	S	S	*	.	H	α-helix	trans	-70.2	-42.1	-177.7	-66.3	-171.9	177.2	0	0	111.7	D647 C652	D647-E649 PolarHBondContact O-N 2.99Å; D647-E649 PolarHBondContact OD1-N 3.48Å; E649-C652 PolarHBondContact O-SG 2.97Å
650	A	89.8	Confident	93	Very high	65 Å²	65	46.5 Å²	46.5	54%	0.537	24%	0.243	S	C	.	.	H	α-helix	trans	-75.2	-31.6	178.1	0	0	0	0	0	113.2	D647	D647-A650 HydrophobicContact CB-CB 4.07Å; D647-A650 PolarHBondContact O-N 2.62Å; D647-A650 PolarHBondContact OD1-N 2.82Å; D647-A650 WeakPolarHBondContact OD2-CB 3.47Å
651	D	92.8	Very high	93	Very high	25 Å²	25	53 Å²	53	13%	0.134	28%	0.277	C	S	.	.	H	α-helix	trans	-106.2	-4.3	-167.3	-67.4	-32.2	0	0	0	114.4	L610 L646 D647 N653 K654 L659	L610-D651 HydrophobicContact CD2-CB 4.27Å; L646-D651 HydrophobicContact CD1-CB 4.46Å; D647-D651 WeakPolarHBondContact O-CB 3.46Å; D647-D651 PolarHBondContact O-N 3.35Å; D651-N653 PolarHBondContact O-N 3.19Å; D651-K654 HydrophobicContact CB-CD 4.3Å; D651-K654 WeakPolarHBondContact O-CB 3.45Å; D651-K654 PolarHBondContact O-N 3.44Å; D651-K654 WeakPolarHBondContact OD1-CD 3.43Å; D651-K654 VanDerWaalsContact OD1-CE 3.25Å; D651-K654 WeakPolarHBondContact OD1-CE 3.46Å; D651-K654 IonicContact OD1-NZ 3.68Å; D651-K654 PolarHBondContact OD1-NZ 3.21Å; D651-L659 HydrophobicContact CB-CD2 3.79Å
652	C	91.1	Very high	92.9	Very high	23 Å²	23	56.6 Å²	56.6	16%	0.155	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	-50	-35.1	-176.1	55.9	0	0	0	0	115.4	L610 Q611 Y648 E649	L610-C652 PolarHBondContact N-O 3.46Å; Q611-C652 HydrophobicContact CB-CB 4.48Å; Q611-C652 PolarHBondContact N-O 3.18Å; Q611-C652 VanDerWaalsContact N-O 3.14Å; Y648-C652 WeakPolarHBondContact O-CA 3.44Å; Y648-C652 WeakPolarHBondContact O-CB 3.48Å; Y648-C652 PolarHBondContact O-N 3.06Å; E649-C652 PolarHBondContact O-SG 2.97Å
653	N	93.4	Very high	92.6	Very high	123 Å²	123	59.9 Å²	59.9	66%	0.658	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92	-6.3	-177.2	-65.5	-40.6	0	0	0	113.9	D651	D651-N653 PolarHBondContact O-N 3.19Å
654	K	94.7	Very high	92.3	Very high	103 Å²	103	63.6 Å²	63.6	45%	0.448	33%	0.334	S	S	.	.	S	Bend	trans	-75.8	152	178.2	-68.5	-180	179.8	168.1	0	110.5	T609 L610 D651 L659	T609-K654 WeakPolarHBondContact CA-O 3.34Å; L610-K654 PolarHBondContact N-O 3.24Å; D651-K654 HydrophobicContact CB-CD 4.3Å; D651-K654 WeakPolarHBondContact O-CB 3.45Å; D651-K654 PolarHBondContact O-N 3.44Å; D651-K654 WeakPolarHBondContact OD1-CD 3.43Å; D651-K654 VanDerWaalsContact OD1-CE 3.25Å; D651-K654 WeakPolarHBondContact OD1-CE 3.46Å; D651-K654 IonicContact OD1-NZ 3.68Å; D651-K654 PolarHBondContact OD1-NZ 3.21Å; K654-L659 HydrophobicContact CB-CD1 4.19Å; K654-L659 HydrophobicContact CB-CD2 3.85Å; K654-L659 HydrophobicContact CB-CG 3.88Å; K654-L659 HydrophobicContact CD-CD2 3.77Å; K654-L659 HydrophobicContact CG-CD2 4.46Å
655	S	95.3	Very high	92.3	Very high	21 Å²	21	65.4 Å²	65.4	15%	0.147	34%	0.344	C	S	.	.	B	Isolated β-bridge	trans	-72.8	148.8	176.7	85.7	0	0	0	0	111.1	I657 D658 L659	S655-I657 VanDerWaalsContact C-N 3.27Å; S655-I657 PolarHBondContact O-N 3.14Å; S655-I657 WeakPolarHBondContact OG-CG2 3.43Å; S655-D658 PolarHBondContact O-N 3.42Å; S655-D658 PolarHBondContact OG-N 3.43Å; S655-D658 PolarHBondContact OG-OD2 3.05Å; S655-L659 WeakPolarHBondContact O-CG 3.35Å; S655-L659 PolarHBondContact O-N 3.29Å; S655-L659 VanDerWaalsContact O-N 3.08Å
656	M	95.2	Very high	92.4	Very high	0 Å²	0	62.4 Å²	62.4	0%	0	33%	0.329	C	S	.	.	H	α-helix	trans	-63.3	-30.1	-177.6	-71	-71.6	-71	0	0	113.3	M573 V575 I604 K606 S608 L610 F613 S660 W666	M573-M656 HydrophobicContact SD-CB 3.79Å; V575-M656 HydrophobicContact CG2-CE 3.86Å; I604-M656 HydrophobicContact CD1-CB 3.83Å; I604-M656 HydrophobicContact CD1-CE 3.38Å; I604-M656 HydrophobicContact CD1-CG 3.69Å; I604-M656 HydrophobicContact CD1-SD 4.35Å; K606-M656 PolarHBondContact O-N 3.48Å; S608-M656 VanDerWaalsContact O-CG 3.25Å; S608-M656 WeakPolarHBondContact O-CG 3.04Å; S608-M656 PolarHBondContact O-N 2.9Å; L610-M656 HydrophobicContact CB-SD 4.4Å; L610-M656 HydrophobicContact CD1-SD 4.05Å; F613-M656 HydrophobicContact CB-CE 3.97Å; F613-M656 HydrophobicContact CB-CG 4.41Å; F613-M656 HydrophobicContact CB-SD 3.89Å; F613-M656 HydrophobicContact CD1-CE 3.33Å; F613-M656 HydrophobicContact CD1-SD 4.05Å; F613-M656 HydrophobicContact CD2-CE 4.17Å; F613-M656 HydrophobicContact CE1-CE 3.79Å; F613-M656 HydrophobicContact CG-CE 3.53Å; F613-M656 HydrophobicContact CG-SD 4.12Å; F613-M656 HydrophobicContact CZ-CE 4.37Å; M656-S660 WeakPolarHBondContact O-CB 3.23Å; M656-S660 PolarHBondContact O-N 3.32Å; M656-S660 VanDerWaalsContact O-N 3.08Å; M656-S660 PolarHBondContact O-OG 3.28Å; M656-W666 HydrophobicContact CE-CE3 3.86Å; M656-W666 HydrophobicContact CE-CZ3 3.53Å; M656-W666 HydrophobicContact SD-CZ3 4.05Å
657	I	94.6	Very high	92.7	Very high	24 Å²	24	60.9 Å²	60.9	12%	0.123	32%	0.322	C	S	.	.	H	α-helix	trans	-74.7	-32.2	177.5	-166.8	63.6	0	0	0	112.9	M573 K606 S655 S660 D661 N662	M573-I657 HydrophobicContact CE-CD1 4.47Å; M573-I657 HydrophobicContact SD-CB 4.3Å; M573-I657 HydrophobicContact SD-CD1 4.3Å; K606-I657 HydrophobicContact CB-CB 3.91Å; K606-I657 HydrophobicContact CB-CG1 4.46Å; K606-I657 HydrophobicContact CB-CG2 4.08Å; K606-I657 HydrophobicContact CD-CD1 4.26Å; K606-I657 HydrophobicContact CD-CG1 4.3Å; K606-I657 HydrophobicContact CG-CB 4.18Å; K606-I657 HydrophobicContact CG-CD1 4.22Å; K606-I657 HydrophobicContact CG-CG1 4.31Å; K606-I657 WeakPolarHBondContact O-CG2 3.33Å; K606-I657 PolarHBondContact O-N 3Å; S655-I657 VanDerWaalsContact C-N 3.27Å; S655-I657 PolarHBondContact O-N 3.14Å; S655-I657 WeakPolarHBondContact OG-CG2 3.43Å; I657-S660 PolarHBondContact O-OG 2.99Å; I657-D661 PolarHBondContact O-N 3.04Å; I657-N662 PolarHBondContact O-N 3.42Å
658	D	93.8	Very high	93	Very high	109 Å²	109	59.5 Å²	59.5	58%	0.583	31%	0.314	S	S	*	.	H	α-helix	trans	-72.5	-39.8	175.7	-60.4	-34.4	0	0	0	110.1	S655 S660 D661	S655-D658 PolarHBondContact O-N 3.42Å; S655-D658 PolarHBondContact OG-N 3.43Å; S655-D658 PolarHBondContact OG-OD2 3.05Å; D658-S660 VanDerWaalsContact C-N 3.31Å; D658-S660 PolarHBondContact O-N 3.19Å; D658-D661 PolarHBondContact O-N 3.47Å; D658-D661 VanDerWaalsContact O-N 3.17Å
659	L	94	Very high	93.5	Very high	30 Å²	30	55.4 Å²	55.4	16%	0.157	30%	0.298	C	S	.	.	H	α-helix	trans	-65.9	-32.2	175.4	-68.5	175.7	0	0	0	113.2	L610 L646 D651 K654 S655 D661 W666	L610-L659 HydrophobicContact CB-CD1 3.69Å; L610-L659 HydrophobicContact CD1-CD1 4.34Å; L610-L659 HydrophobicContact CD2-CD1 4.05Å; L610-L659 HydrophobicContact CG-CD1 4.24Å; L646-L659 HydrophobicContact CD1-CD2 4.26Å; D651-L659 HydrophobicContact CB-CD2 3.79Å; K654-L659 HydrophobicContact CB-CD1 4.19Å; K654-L659 HydrophobicContact CB-CD2 3.85Å; K654-L659 HydrophobicContact CB-CG 3.88Å; K654-L659 HydrophobicContact CD-CD2 3.77Å; K654-L659 HydrophobicContact CG-CD2 4.46Å; S655-L659 WeakPolarHBondContact O-CG 3.35Å; S655-L659 PolarHBondContact O-N 3.29Å; S655-L659 VanDerWaalsContact O-N 3.08Å; L659-D661 VanDerWaalsContact C-N 3.26Å; L659-D661 PolarHBondContact O-N 3.45Å; L659-W666 HydrophobicContact CB-CH2 3.89Å; L659-W666 HydrophobicContact CB-CZ2 4.47Å; L659-W666 HydrophobicContact CB-CZ3 4.33Å
660	S	93.6	Very high	93.9	Very high	5 Å²	5	47.3 Å²	47.3	4%	0.035	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.4	-0.6	175.4	79.2	0	0	0	0	113.8	M573 M656 I657 D658 N662 E663 W666	M573-S660 WeakPolarHBondContact CE-OG 3.42Å; M656-S660 WeakPolarHBondContact O-CB 3.23Å; M656-S660 PolarHBondContact O-N 3.32Å; M656-S660 VanDerWaalsContact O-N 3.08Å; M656-S660 PolarHBondContact O-OG 3.28Å; I657-S660 PolarHBondContact O-OG 2.99Å; D658-S660 VanDerWaalsContact C-N 3.31Å; D658-S660 PolarHBondContact O-N 3.19Å; S660-N662 PolarHBondContact O-N 3.35Å; S660-E663 WeakPolarHBondContact O-CB 3.35Å; S660-E663 PolarHBondContact O-N 3.5Å; S660-E663 PolarHBondContact OG-N 2.82Å; S660-E663 PolarHBondContact OG-O 3.2Å; S660-W666 VanDerWaalsContact CB-CD2 3.49Å
661	D	92.5	Very high	94.2	Very high	137 Å²	137	44.4 Å²	44.4	73%	0.733	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	49.1	46.4	-172.3	-167.1	20.6	0	0	0	112.1	I657 D658 L659 E663	I657-D661 PolarHBondContact O-N 3.04Å; D658-D661 PolarHBondContact O-N 3.47Å; D658-D661 VanDerWaalsContact O-N 3.17Å; L659-D661 VanDerWaalsContact C-N 3.26Å; L659-D661 PolarHBondContact O-N 3.45Å; D661-E663 PolarHBondContact O-N 3.28Å
662	N	91.3	Very high	94.2	Very high	118 Å²	118	44.8 Å²	44.8	63%	0.631	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	63.4	12.3	-175.3	-56.1	-81.9	0	0	0	115.8	I657 S660 N664	I657-N662 PolarHBondContact O-N 3.42Å; S660-N662 PolarHBondContact O-N 3.35Å; N662-N664 PolarHBondContact O-N 2.69Å
663	E	91.1	Very high	94.1	Very high	70 Å²	70	44.2 Å²	44.2	33%	0.327	24%	0.235	S	C	.	.			trans	-68.3	127.3	172.1	-163.9	-177.1	-176.7	0	0	110.2	K641 S660 D661	K641-E663 IonicContact NZ-OE1 3.81Å; S660-E663 WeakPolarHBondContact O-CB 3.35Å; S660-E663 PolarHBondContact O-N 3.5Å; S660-E663 PolarHBondContact OG-N 2.82Å; S660-E663 PolarHBondContact OG-O 3.2Å; D661-E663 PolarHBondContact O-N 3.28Å
664	N	90.9	Very high	93.7	Very high	78 Å²	78	42.3 Å²	42.3	42%	0.417	22%	0.224	S	C	.	.	S	Bend	trans	-150.5	114.3	175.3	-174.3	15.4	0	0	0	110	Q574 N662	Q574-N664 PolarHBondContact N-OD1 2.88Å; N662-N664 PolarHBondContact O-N 2.69Å
665	P	94.3	Very high	93	Very high	51 Å²	51	41.5 Å²	41.5	33%	0.331	23%	0.229	S	C	.	.	S	Bend	cis	-71.8	145.3	4.1	30.7	-35.3	0	0	0	113	Q574 Q576	Q574-P665 HydrophobicContact CB-CB 4.04Å; Q574-P665 CarbonylContact O-C 3.58Å; Q574-P665 VanDerWaalsContact O-CA 3.26Å; Q574-P665 WeakPolarHBondContact O-CA 3.4Å; Q576-P665 HydrophobicContact CG-CB 4.02Å
666	W	96.7	Very high	92.4	Very high	9 Å²	9	48.4 Å²	48.4	3%	0.034	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	130.1	174.7	-171.7	36.7	0	0	0	110.4	M573 Q574 V575 Q576 P632 L646 M656 L659 S660 I668	M573-W666 HydrophobicContact CE-CB 3.87Å; Q574-W666 PolarHBondContact O-N 2.75Å; V575-W666 CarbonylContact C-O 3.58Å; V575-W666 WeakPolarHBondContact CA-O 3.47Å; V575-W666 HydrophobicContact CG2-CE3 4.28Å; Q576-W666 PolarHBondContact N-O 3.15Å; P632-W666 HydrophobicContact CB-CZ2 3.73Å; P632-W666 HydrophobicContact CG-CH2 4.21Å; P632-W666 HydrophobicContact CG-CZ2 3.59Å; L646-W666 HydrophobicContact CD2-CH2 4.46Å; M656-W666 HydrophobicContact CE-CE3 3.86Å; M656-W666 HydrophobicContact CE-CZ3 3.53Å; M656-W666 HydrophobicContact SD-CZ3 4.05Å; L659-W666 HydrophobicContact CB-CH2 3.89Å; L659-W666 HydrophobicContact CB-CZ2 4.47Å; L659-W666 HydrophobicContact CB-CZ3 4.33Å; S660-W666 VanDerWaalsContact CB-CD2 3.49Å; W666-I668 HydrophobicContact CD2-CD1 4.02Å; W666-I668 HydrophobicContact CD2-CG1 4.03Å; W666-I668 HydrophobicContact CE3-CD1 3.63Å; W666-I668 HydrophobicContact CE3-CG1 4.17Å; W666-I668 HydrophobicContact CH2-CD1 3.88Å; W666-I668 HydrophobicContact CH2-CG1 4.49Å; W666-I668 HydrophobicContact CZ2-CD1 4.27Å; W666-I668 HydrophobicContact CZ2-CG1 4.39Å; W666-I668 HydrophobicContact CZ3-CD1 3.55Å; W666-I668 HydrophobicContact CZ3-CG1 4.39Å
667	T	97	Very high	91.7	Very high	1 Å²	1	53 Å²	53	1%	0.006	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	131.7	-177.1	-44.4	0	0	0	0	110.9	Q576 Y599 M633 K641	Q576-T667 HydrophobicContact CB-CG2 4.33Å; Q576-T667 CarbonylContact O-C 3.57Å; Q576-T667 WeakPolarHBondContact O-CA 3.36Å; Q576-T667 PolarHBondContact OE1-OG1 3.35Å; Y599-T667 HydrophobicContact CD1-CG2 4.36Å; Y599-T667 HydrophobicContact CE1-CG2 3.65Å; M633-T667 HydrophobicContact CB-CG2 4.12Å; M633-T667 WeakPolarHBondContact CB-O 3.37Å; M633-T667 HydrophobicContact CG-CG2 3.93Å; M633-T667 PolarHBondContact N-O 2.64Å; K641-T667 PolarHBondContact NZ-OG1 3.07Å; K641-T667 VanDerWaalsContact NZ-OG1 3.08Å
668	I	97.2	Very high	90.9	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	130.7	-178.8	-55.1	178.7	0	0	0	109.6	V575 Q576 M577 V578 F613 L630 W666	V575-I668 HydrophobicContact CG1-CD1 3.63Å; V575-I668 HydrophobicContact CG1-CG1 4.05Å; Q576-I668 PolarHBondContact O-N 3.24Å; M577-I668 WeakPolarHBondContact CA-O 3.34Å; M577-I668 HydrophobicContact CE-CB 3.94Å; M577-I668 HydrophobicContact CE-CG2 3.77Å; M577-I668 HydrophobicContact SD-CB 3.83Å; M577-I668 HydrophobicContact SD-CD1 4.29Å; M577-I668 HydrophobicContact SD-CG1 4.5Å; M577-I668 HydrophobicContact SD-CG2 4.28Å; V578-I668 PolarHBondContact N-O 3.41Å; F613-I668 HydrophobicContact CE1-CD1 4.29Å; L630-I668 HydrophobicContact CB-CG2 3.84Å; L630-I668 HydrophobicContact CD2-CD1 4.24Å; L630-I668 HydrophobicContact CD2-CG2 4.34Å; L630-I668 HydrophobicContact CG-CG2 4.12Å; W666-I668 HydrophobicContact CD2-CD1 4.02Å; W666-I668 HydrophobicContact CD2-CG1 4.03Å; W666-I668 HydrophobicContact CE3-CD1 3.63Å; W666-I668 HydrophobicContact CE3-CG1 4.17Å; W666-I668 HydrophobicContact CH2-CD1 3.88Å; W666-I668 HydrophobicContact CH2-CG1 4.49Å; W666-I668 HydrophobicContact CZ2-CD1 4.27Å; W666-I668 HydrophobicContact CZ2-CG1 4.39Å; W666-I668 HydrophobicContact CZ3-CD1 3.55Å; W666-I668 HydrophobicContact CZ3-CG1 4.39Å
669	F	97.7	Very high	90.2	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	122.3	166.1	166.5	-127.3	0	0	0	109.8	V578 E580 F583 W631 M633 P643 E671 F696	V578-F669 HydrophobicContact CG1-CB 4.06Å; V578-F669 CarbonylContact O-C 3.58Å; V578-F669 WeakPolarHBondContact O-CA 3.16Å; V578-F669 WeakPolarHBondContact O-CD2 3.44Å; E580-F669 HydrophobicContact CB-CE2 3.95Å; E580-F669 HydrophobicContact CB-CZ 4.3Å; F583-F669 HydrophobicContact CE1-CD2 4.48Å; F583-F669 HydrophobicContact CE2-CD1 4.45Å; F583-F669 AromaticContact CE2-CD2 3.61Å; F583-F669 HydrophobicContact CE2-CD2 3.61Å; F583-F669 HydrophobicContact CE2-CE1 4.37Å; F583-F669 AromaticContact CE2-CE2 3.51Å; F583-F669 HydrophobicContact CE2-CE2 3.51Å; F583-F669 HydrophobicContact CE2-CG 4.11Å; F583-F669 AromaticContact CE2-CZ 3.92Å; F583-F669 HydrophobicContact CE2-CZ 3.92Å; F583-F669 HydrophobicContact CZ-CB 4.33Å; F583-F669 AromaticContact CZ-CD2 3.37Å; F583-F669 HydrophobicContact CZ-CD2 3.37Å; F583-F669 AromaticContact CZ-CE2 3.77Å; F583-F669 HydrophobicContact CZ-CE2 3.77Å; F583-F669 AromaticContact CZ-CG 3.84Å; F583-F669 HydrophobicContact CZ-CG 3.84Å; W631-F669 HydrophobicContact CB-CB 4.15Å; W631-F669 HydrophobicContact CB-CD1 3.79Å; W631-F669 HydrophobicContact CB-CG 4.41Å; W631-F669 AromaticContact CD1-CD1 3.83Å; W631-F669 HydrophobicContact CG-CD1 4.01Å; W631-F669 PolarHBondContact N-O 3.04Å; W631-F669 WeakPolarHBondContact O-CB 3.42Å; W631-F669 PolarHBondContact O-N 2.74Å; M633-F669 HydrophobicContact CG-CB 4.44Å; M633-F669 HydrophobicContact SD-CB 3.98Å; P643-F669 HydrophobicContact CB-CB 4.48Å; P643-F669 HydrophobicContact CB-CD1 4.13Å; P643-F669 HydrophobicContact CG-CB 4.39Å; P643-F669 HydrophobicContact CG-CD1 4.12Å; F669-E671 HydrophobicContact CE1-CB 4.13Å; F669-E671 HydrophobicContact CZ-CB 4.1Å; F669-F696 HydrophobicContact CD1-CZ 4.28Å; F669-F696 HydrophobicContact CE1-CE1 4.39Å; F669-F696 AromaticContact CE1-CZ 3.93Å; F669-F696 HydrophobicContact CE1-CZ 3.93Å
670	L	95.6	Very high	89.5	Confident	2 Å²	2	55.1 Å²	55.1	1%	0.01	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	107.4	173.8	-172.9	59	0	0	0	109.2	M577 V578 T579 L617 M621 M628 L630 T672	M577-L670 HydrophobicContact CE-CB 3.62Å; M577-L670 HydrophobicContact CE-CD1 3.98Å; M577-L670 HydrophobicContact CE-CD2 4.33Å; M577-L670 HydrophobicContact CE-CG 4.18Å; V578-L670 PolarHBondContact O-N 3.28Å; T579-L670 HydrophobicContact CG2-CB 4.35Å; L617-L670 HydrophobicContact CD2-CD1 3.99Å; M621-L670 HydrophobicContact CE-CD2 3.93Å; M621-L670 HydrophobicContact CG-CD2 4.22Å; M628-L670 HydrophobicContact CB-CD1 3.98Å; M628-L670 HydrophobicContact SD-CD1 4.38Å; L630-L670 HydrophobicContact CD1-CD1 4.23Å; L630-L670 HydrophobicContact CG-CD1 4.47Å; L670-T672 HydrophobicContact CD2-CG2 4.19Å; L670-T672 HydrophobicContact CG-CG2 3.96Å
671	E	95.3	Very high	88.7	Confident	4 Å²	4	57.7 Å²	57.7	2%	0.019	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	134.2	166.5	-178.7	-164.7	178.7	0	0	109	M628 R629 W631 F669 L684 H712 Y714	M628-E671 CarbonylContact C-O 3.53Å; M628-E671 WeakPolarHBondContact CA-O 3.39Å; R629-E671 HydrophobicContact CB-CB 4.36Å; R629-E671 WeakPolarHBondContact CB-OE2 3.49Å; R629-E671 PolarHBondContact N-O 2.78Å; R629-E671 IonicContact NH1-OE2 3.52Å; R629-E671 PolarHBondContact O-N 2.91Å; W631-E671 PolarHBondContact NE1-OE2 3.42Å; F669-E671 HydrophobicContact CE1-CB 4.13Å; F669-E671 HydrophobicContact CZ-CB 4.1Å; E671-L684 HydrophobicContact CG-CD1 4.27Å; E671-L684 HydrophobicContact CG-CD2 4.2Å; E671-L684 WeakPolarHBondContact OE1-CD2 3.41Å; E671-H712 IonicContact OE1-NE2 3.42Å; E671-H712 PolarHBondContact OE1-NE2 2.91Å; E671-Y714 WeakPolarHBondContact OE1-CE2 3.31Å; E671-Y714 VanDerWaalsContact OE1-CZ 3.32Å; E671-Y714 PolarHBondContact OE1-OH 3.1Å; E671-Y714 PolarHBondContact OE2-OH 3.31Å
672	T	92.6	Very high	88.3	Confident	33 Å²	33	52.6 Å²	52.6	20%	0.202	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	150	175.3	56.8	0	0	0	0	109.8	F623 Q627 L670	F623-T672 HydrophobicContact CD1-CG2 4.35Å; F623-T672 HydrophobicContact CD2-CG2 4.2Å; F623-T672 HydrophobicContact CE1-CG2 4.31Å; F623-T672 HydrophobicContact CE2-CG2 4.16Å; F623-T672 HydrophobicContact CG-CG2 4.29Å; F623-T672 HydrophobicContact CZ-CG2 4.21Å; Q627-T672 WeakPolarHBondContact O-CA 3.37Å; L670-T672 HydrophobicContact CD2-CG2 4.19Å; L670-T672 HydrophobicContact CG-CG2 3.96Å
673	V	90.3	Very high	88.2	Confident	11 Å²	11	51 Å²	51	7%	0.067	32%	0.317	C	S	.	.			trans	-56.3	141.6	167.4	-176.3	0	0	0	0	109.4	Q627 P675 L677 A678 A682 L684	Q627-V673 HydrophobicContact CB-CB 4.42Å; Q627-V673 HydrophobicContact CB-CG2 3.77Å; Q627-V673 HydrophobicContact CG-CG2 3.98Å; Q627-V673 PolarHBondContact O-N 3.23Å; V673-P675 WeakPolarHBondContact O-CD 3.43Å; V673-P675 VanDerWaalsContact O-N 3.15Å; V673-L677 HydrophobicContact CG1-CB 4.29Å; V673-A678 HydrophobicContact CB-CB 4.23Å; V673-A678 HydrophobicContact CG1-CB 3.98Å; V673-A682 HydrophobicContact CG1-CB 4.01Å; V673-L684 HydrophobicContact CG2-CB 4.47Å; V673-L684 HydrophobicContact CG2-CD2 3.77Å; V673-L684 HydrophobicContact CG2-CG 3.67Å
674	D	84	Confident	88.1	Confident	82 Å²	82	48.7 Å²	48.7	44%	0.439	31%	0.307	S	S	.	.			trans	-50.3	121.9	170.2	-176.7	-25.6	0	0	0	109.4	E676 L677 A678	D674-E676 PolarHBondContact O-N 3.04Å; D674-E676 VanDerWaalsContact O-N 3.09Å; D674-E676 PolarHBondContact OD1-N 3.37Å; D674-L677 HydrophobicContact CB-CB 4.24Å; D674-L677 HydrophobicContact CB-CD1 4.07Å; D674-L677 HydrophobicContact CB-CG 4.28Å; D674-L677 CarbonylContact O-C 3.57Å; D674-L677 PolarHBondContact O-N 2.95Å; D674-A678 WeakPolarHBondContact O-CB 3.46Å; D674-A678 PolarHBondContact O-N 3.35Å
675	P	80.9	Confident	88	Confident	86 Å²	86	48.6 Å²	48.6	56%	0.558	31%	0.311	S	S	*	.	H	α-helix	trans	-52	-32.8	-179.4	-27.8	35	0	0	0	114.2	V673 A679	V673-P675 WeakPolarHBondContact O-CD 3.43Å; V673-P675 VanDerWaalsContact O-N 3.15Å; P675-A679 PolarHBondContact O-N 3.47Å
676	E	81.4	Confident	87.8	Confident	167 Å²	167	55.6 Å²	55.6	78%	0.78	34%	0.336	S	S	*	.	H	α-helix	trans	-68.3	-38.3	177.6	-65.9	-167.9	172.7	0	0	112	D674	D674-E676 PolarHBondContact O-N 3.04Å; D674-E676 VanDerWaalsContact O-N 3.09Å; D674-E676 PolarHBondContact OD1-N 3.37Å
677	L	80.8	Confident	87.6	Confident	96 Å²	96	56.8 Å²	56.8	50%	0.503	34%	0.342	S	S	.	.	H	α-helix	trans	-80.4	-33.4	176.6	-67.8	171.7	0	0	0	112	V673 D674 A679 S680 G681 A682	V673-L677 HydrophobicContact CG1-CB 4.29Å; D674-L677 HydrophobicContact CB-CB 4.24Å; D674-L677 HydrophobicContact CB-CD1 4.07Å; D674-L677 HydrophobicContact CB-CG 4.28Å; D674-L677 CarbonylContact O-C 3.57Å; D674-L677 PolarHBondContact O-N 2.95Å; L677-A679 VanDerWaalsContact C-N 3.26Å; L677-A679 PolarHBondContact O-N 2.96Å; L677-S680 WeakPolarHBondContact O-CA 3.38Å; L677-S680 WeakPolarHBondContact O-CB 3.22Å; L677-S680 PolarHBondContact O-N 3.2Å; L677-S680 PolarHBondContact O-OG 2.93Å; L677-G681 PolarHBondContact O-N 2.95Å; L677-A682 HydrophobicContact CB-CB 3.92Å; L677-A682 VanDerWaalsContact O-CB 3.31Å; L677-A682 WeakPolarHBondContact O-CB 3.37Å; L677-A682 PolarHBondContact O-N 2.91Å
678	A	78.8	Confident	87.4	Confident	20 Å²	20	60 Å²	60	17%	0.165	36%	0.358	C	S	.	.	H	α-helix	trans	-58.8	-38.8	176.6	0	0	0	0	0	111.4	V673 D674 S680 G681	V673-A678 HydrophobicContact CB-CB 4.23Å; V673-A678 HydrophobicContact CG1-CB 3.98Å; D674-A678 WeakPolarHBondContact O-CB 3.46Å; D674-A678 PolarHBondContact O-N 3.35Å; A678-S680 PolarHBondContact O-N 2.95Å; A678-G681 PolarHBondContact O-N 3.26Å
679	A	77.5	Confident	87	Confident	95 Å²	95	64.8 Å²	64.8	79%	0.785	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.3	-23.3	174.9	0	0	0	0	0	113.6	P675 L677	P675-A679 PolarHBondContact O-N 3.47Å; L677-A679 VanDerWaalsContact C-N 3.26Å; L677-A679 PolarHBondContact O-N 2.96Å
680	S	79.9	Confident	86.6	Confident	93 Å²	93	70.1 Å²	70.1	65%	0.65	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.7	2.2	176.1	73.7	0	0	0	0	113.9	L677 A678	L677-S680 WeakPolarHBondContact O-CA 3.38Å; L677-S680 WeakPolarHBondContact O-CB 3.22Å; L677-S680 PolarHBondContact O-N 3.2Å; L677-S680 PolarHBondContact O-OG 2.93Å; A678-S680 PolarHBondContact O-N 2.95Å
681	G	76.9	Confident	86.5	Confident	58 Å²	58	75.6 Å²	75.6	60%	0.598	43%	0.433	S	S	*	.	T	Hydrogen-bonded Turn	trans	86.2	19.9	179.4	0	0	0	0	0	114.4	L677 A678	L677-G681 PolarHBondContact O-N 2.95Å; A678-G681 PolarHBondContact O-N 3.26Å
682	A	85.2	Confident	86.5	Confident	30 Å²	30	77 Å²	77	25%	0.248	44%	0.441	C	S	.	.			trans	-66.5	146.2	174.2	0	0	0	0	0	111.5	Q627 V673 L677	Q627-A682 PolarHBondContact NE2-O 2.64Å; V673-A682 HydrophobicContact CG1-CB 4.01Å; L677-A682 HydrophobicContact CB-CB 3.92Å; L677-A682 VanDerWaalsContact O-CB 3.31Å; L677-A682 WeakPolarHBondContact O-CB 3.37Å; L677-A682 PolarHBondContact O-N 2.91Å
683	T	87.2	Confident	86.7	Confident	84 Å²	84	75.7 Å²	75.7	52%	0.515	43%	0.433	S	S	.	.			trans	-119.4	159.2	173.6	47.7	0	0	0	0	109.2
684	L	89	Confident	87	Confident	22 Å²	22	75.1 Å²	75.1	12%	0.115	43%	0.429	C	S	.	.	P	Polyproline II helix	trans	-64.1	137.9	175.4	-76.7	178.3	0	0	0	110	D626 M628 R629 E671 V673	D626-L684 PolarHBondContact O-N 2.96Å; M628-L684 VanDerWaalsContact C-CD1 3.45Å; R629-L684 HydrophobicContact CB-CD1 3.89Å; E671-L684 HydrophobicContact CG-CD1 4.27Å; E671-L684 HydrophobicContact CG-CD2 4.2Å; E671-L684 WeakPolarHBondContact OE1-CD2 3.41Å; V673-L684 HydrophobicContact CG2-CB 4.47Å; V673-L684 HydrophobicContact CG2-CD2 3.77Å; V673-L684 HydrophobicContact CG2-CG 3.67Å
685	P	89.3	Confident	87.6	Confident	77 Å²	77	71.2 Å²	71.2	50%	0.5	41%	0.408	S	S	.	.	P	Polyproline II helix	trans	-55.1	145.6	172.8	-23.2	33.1	0	0	0	110.9	R629 Y714	R629-P685 PolarHBondContact NH1-O 3.31Å; R629-P685 PolarHBondContact NH2-O 3.39Å; P685-Y714 HydrophobicContact CB-CD2 4.18Å; P685-Y714 HydrophobicContact CG-CD2 4.29Å
686	K	89.6	Confident	88.5	Confident	197 Å²	197	67.1 Å²	67.1	86%	0.857	38%	0.382	S	S	*	.	P	Polyproline II helix	trans	-61.2	144.4	168.7	-67.5	-167.1	174.9	-166.7	0	109.4
687	F	93.2	Very high	89.3	Confident	35 Å²	35	59.2 Å²	59.2	15%	0.154	35%	0.345	C	S	.	.			trans	-119.6	114.4	177	179.4	-101.1	0	0	0	107.9	W631 M645 K689 D692 M694 Y714 D770	W631-F687 HydrophobicContact CH2-CD1 4Å; W631-F687 HydrophobicContact CH2-CD2 4.27Å; W631-F687 AromaticContact CH2-CE1 3.76Å; W631-F687 HydrophobicContact CH2-CE1 3.76Å; W631-F687 HydrophobicContact CH2-CE2 4.05Å; W631-F687 HydrophobicContact CH2-CG 4.25Å; W631-F687 AromaticContact CH2-CZ 3.8Å; W631-F687 HydrophobicContact CH2-CZ 3.8Å; W631-F687 HydrophobicContact CZ3-CE1 4.38Å; W631-F687 HydrophobicContact CZ3-CZ 4.43Å; M645-F687 HydrophobicContact CG-CE1 4.07Å; M645-F687 HydrophobicContact SD-CE1 4.35Å; F687-K689 HydrophobicContact CE1-CB 4.42Å; F687-K689 PolarHBondContact O-N 3.28Å; F687-D692 HydrophobicContact CD2-CB 3.85Å; F687-D692 HydrophobicContact CE2-CB 3.71Å; F687-D692 HydrophobicContact CZ-CB 4.39Å; F687-M694 HydrophobicContact CE2-CB 4.47Å; F687-Y714 AromaticContact CD2-CD1 3.47Å; F687-Y714 HydrophobicContact CD2-CD1 3.47Å; F687-Y714 VanDerWaalsContact CD2-CD1 3.47Å; F687-Y714 AromaticContact CD2-CE1 3.62Å; F687-Y714 HydrophobicContact CD2-CE1 3.62Å; F687-Y714 HydrophobicContact CD2-CG 4.24Å; F687-Y714 AromaticContact CE2-CD1 3.84Å; F687-Y714 HydrophobicContact CE2-CD1 3.84Å; F687-Y714 HydrophobicContact CE2-CE1 4.07Å; F687-Y714 HydrophobicContact CG-CE1 4.42Å; F687-D770 WeakPolarHBondContact CZ-OD1 3.47Å
688	D	92.6	Very high	90.1	Very high	67 Å²	67	55 Å²	55	36%	0.358	32%	0.322	S	S	.	.			trans	-84.7	103.1	173.6	-175.2	-14.9	0	0	0	109.3	D690 H691 D692	D688-D690 PolarHBondContact O-N 2.58Å; D688-D690 PolarHBondContact OD1-N 3.01Å; D688-H691 HydrophobicContact CB-CB 4.49Å; D688-H691 PolarHBondContact O-N 3.33Å; D688-H691 VanDerWaalsContact O-N 3.12Å; D688-H691 IonicContact OD1-ND1 2.78Å; D688-H691 IonicContact OD2-CE1 3.88Å; D688-H691 IonicContact OD2-CG 2.75Å; D688-H691 IonicContact OD2-ND1 3.54Å; D688-H691 PolarHBondContact OD2-ND1 3.43Å; D688-D692 WeakPolarHBondContact CB-OD2 3.48Å; D688-D692 PolarHBondContact N-OD2 3.25Å; D688-D692 WeakPolarHBondContact O-CA 3.44Å; D688-D692 WeakPolarHBondContact O-CB 3.45Å; D688-D692 PolarHBondContact O-N 2.86Å
689	K	89	Confident	91	Very high	102 Å²	102	55.2 Å²	55.2	44%	0.443	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.2	-21.8	-179.2	61.7	174.9	-177.6	178	0	115.2	M645 D647 F687	M645-K689 HydrophobicContact SD-CB 3.4Å; M645-K689 WeakPolarHBondContact SD-CB 3.32Å; M645-K689 HydrophobicContact SD-CD 4.45Å; D647-K689 IonicContact OD2-NZ 2.63Å; D647-K689 PolarHBondContact OD2-NZ 3.47Å; F687-K689 HydrophobicContact CE1-CB 4.42Å; F687-K689 PolarHBondContact O-N 3.28Å
690	D	90	Very high	92	Very high	112 Å²	112	50.7 Å²	50.7	60%	0.599	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.9	-22.5	-176.4	-62.6	-43.5	0	0	0	112.2	D688	D688-D690 PolarHBondContact O-N 2.58Å; D688-D690 PolarHBondContact OD1-N 3.01Å
691	H	93.2	Very high	92.7	Very high	117 Å²	117	48.6 Å²	48.6	54%	0.542	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-130.3	-16.4	-170.6	-56	103.2	0	0	0	115.1	D688 P716 I717	D688-H691 HydrophobicContact CB-CB 4.49Å; D688-H691 PolarHBondContact O-N 3.33Å; D688-H691 VanDerWaalsContact O-N 3.12Å; D688-H691 IonicContact OD1-ND1 2.78Å; D688-H691 IonicContact OD2-CE1 3.88Å; D688-H691 IonicContact OD2-CG 2.75Å; D688-H691 IonicContact OD2-ND1 3.54Å; D688-H691 PolarHBondContact OD2-ND1 3.43Å; H691-P716 CarbonylContact O-C 3.49Å; H691-P716 VanDerWaalsContact O-CA 3.31Å; H691-P716 WeakPolarHBondContact O-CA 3.22Å; H691-I717 WeakPolarHBondContact O-CG1 3.41Å; H691-I717 PolarHBondContact O-N 3.12Å
692	D	95.4	Very high	93.6	Very high	33 Å²	33	46.1 Å²	46.1	18%	0.176	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	157	177	-64.4	-33.7	0	0	0	110.8	F687 D688 T715	F687-D692 HydrophobicContact CD2-CB 3.85Å; F687-D692 HydrophobicContact CE2-CB 3.71Å; F687-D692 HydrophobicContact CZ-CB 4.39Å; D688-D692 WeakPolarHBondContact CB-OD2 3.48Å; D688-D692 PolarHBondContact N-OD2 3.25Å; D688-D692 WeakPolarHBondContact O-CA 3.44Å; D688-D692 WeakPolarHBondContact O-CB 3.45Å; D688-D692 PolarHBondContact O-N 2.86Å; D692-T715 WeakPolarHBondContact CA-O 3.2Å
693	V	96.4	Very high	93.9	Very high	5 Å²	5	52.9 Å²	52.9	3%	0.03	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	142.8	171.9	61.8	0	0	0	0	110.1	L695 T715 I717 L761 L768 D770	V693-L695 HydrophobicContact CG1-CD2 4.43Å; V693-L695 HydrophobicContact CG1-CG 4.2Å; V693-L695 HydrophobicContact CG2-CD2 4.06Å; V693-L695 HydrophobicContact CG2-CG 4.5Å; V693-T715 HydrophobicContact CG1-CG2 3.85Å; V693-T715 PolarHBondContact N-O 3.4Å; V693-T715 PolarHBondContact O-N 3.24Å; V693-I717 HydrophobicContact CB-CG1 4.18Å; V693-I717 HydrophobicContact CG1-CG1 4.27Å; V693-L761 HydrophobicContact CG1-CD1 4Å; V693-L768 HydrophobicContact CG1-CD1 4.46Å; V693-L768 HydrophobicContact CG1-CD2 4.25Å; V693-L768 HydrophobicContact CG2-CD1 4.19Å; V693-L768 HydrophobicContact CG2-CG 4.27Å; V693-D770 WeakPolarHBondContact CA-OD1 3.45Å
694	M	97.1	Very high	94.2	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	115.5	171.6	-172.5	175.6	58.6	0	0	111.1	W631 P643 F687 F696 H712 I713 Y714 D770 G771	W631-M694 HydrophobicContact CB-CE 4.47Å; W631-M694 HydrophobicContact CD2-CE 3.29Å; W631-M694 HydrophobicContact CD2-SD 4.08Å; W631-M694 HydrophobicContact CE3-CE 3.42Å; W631-M694 VanDerWaalsContact CE3-CE 3.42Å; W631-M694 HydrophobicContact CG-CE 3.78Å; W631-M694 HydrophobicContact CH2-CB 4.02Å; W631-M694 HydrophobicContact CH2-CE 3.99Å; W631-M694 HydrophobicContact CH2-SD 4.2Å; W631-M694 HydrophobicContact CZ2-CB 4.38Å; W631-M694 HydrophobicContact CZ2-CE 3.87Å; W631-M694 HydrophobicContact CZ2-SD 3.7Å; W631-M694 HydrophobicContact CZ3-CB 4.4Å; W631-M694 HydrophobicContact CZ3-CE 3.78Å; P643-M694 HydrophobicContact CB-CE 4.05Å; F687-M694 HydrophobicContact CE2-CB 4.47Å; M694-F696 HydrophobicContact CE-CE2 3.81Å; M694-F696 HydrophobicContact CE-CZ 3.98Å; M694-F696 HydrophobicContact CG-CE2 4.48Å; M694-F696 HydrophobicContact SD-CE2 4.42Å; M694-F696 HydrophobicContact SD-CZ 4.31Å; M694-H712 HydrophobicContact CG-CB 4.33Å; M694-I713 WeakPolarHBondContact CA-O 3.33Å; M694-Y714 HydrophobicContact CB-CD1 4.03Å; M694-Y714 HydrophobicContact CB-CE1 3.8Å; M694-Y714 HydrophobicContact CG-CD1 4.19Å; M694-Y714 HydrophobicContact CG-CE1 3.76Å; M694-Y714 HydrophobicContact SD-CE1 3.93Å; M694-D770 PolarHBondContact N-OD1 3.34Å; M694-G771 PolarHBondContact O-N 2.89Å
695	L	97.3	Very high	94.5	Very high	0 Å²	0	57.2 Å²	57.2	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	143.3	177.8	-60.3	178.7	0	0	0	111.8	V693 H712 I713 T715 L724 L761 L768 D772 I774	V693-L695 HydrophobicContact CG1-CD2 4.43Å; V693-L695 HydrophobicContact CG1-CG 4.2Å; V693-L695 HydrophobicContact CG2-CD2 4.06Å; V693-L695 HydrophobicContact CG2-CG 4.5Å; L695-H712 CarbonylContact O-C 3.53Å; L695-H712 WeakPolarHBondContact O-CA 3.5Å; L695-I713 HydrophobicContact CB-CG1 4.04Å; L695-I713 PolarHBondContact N-O 3.34Å; L695-I713 PolarHBondContact O-N 2.85Å; L695-T715 HydrophobicContact CD1-CG2 3.91Å; L695-T715 HydrophobicContact CG-CG2 4.32Å; L695-L724 HydrophobicContact CD1-CD1 4.42Å; L695-L761 HydrophobicContact CD1-CD1 4.07Å; L695-L761 HydrophobicContact CD1-CD2 3.79Å; L695-L768 HydrophobicContact CD2-CD1 4.08Å; L695-D772 HydrophobicContact CD2-CB 3.8Å; L695-I774 HydrophobicContact CD1-CD1 3.98Å
696	F	98.1	Very high	94.8	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	141.9	173	-72.1	-87.1	0	0	0	111	F583 M591 P643 F669 M694 Y709 H712 D772 I773 I774	F583-F696 HydrophobicContact CD2-CE1 4.14Å; F583-F696 AromaticContact CE2-CE1 3.92Å; F583-F696 HydrophobicContact CE2-CE1 3.92Å; F583-F696 HydrophobicContact CE2-CZ 4.42Å; M591-F696 HydrophobicContact CE-CB 4.1Å; M591-F696 HydrophobicContact CE-CD1 4.35Å; M591-F696 HydrophobicContact CE-CD2 3.68Å; M591-F696 HydrophobicContact CE-CE2 4.2Å; M591-F696 HydrophobicContact CE-CG 3.76Å; M591-F696 HydrophobicContact SD-CB 4.35Å; M591-F696 HydrophobicContact SD-CD1 3.75Å; M591-F696 HydrophobicContact SD-CD2 4.09Å; M591-F696 HydrophobicContact SD-CE1 4.02Å; M591-F696 HydrophobicContact SD-CE2 4.35Å; M591-F696 HydrophobicContact SD-CG 3.78Å; M591-F696 HydrophobicContact SD-CZ 4.33Å; P643-F696 HydrophobicContact CB-CE2 4.18Å; P643-F696 HydrophobicContact CB-CZ 4.37Å; P643-F696 HydrophobicContact CG-CE2 3.66Å; P643-F696 HydrophobicContact CG-CZ 3.71Å; F669-F696 HydrophobicContact CD1-CZ 4.28Å; F669-F696 HydrophobicContact CE1-CE1 4.39Å; F669-F696 AromaticContact CE1-CZ 3.93Å; F669-F696 HydrophobicContact CE1-CZ 3.93Å; M694-F696 HydrophobicContact CE-CE2 3.81Å; M694-F696 HydrophobicContact CE-CZ 3.98Å; M694-F696 HydrophobicContact CG-CE2 4.48Å; M694-F696 HydrophobicContact SD-CE2 4.42Å; M694-F696 HydrophobicContact SD-CZ 4.31Å; F696-Y709 AromaticContact CD1-CE2 3.81Å; F696-Y709 HydrophobicContact CD1-CE2 3.81Å; F696-Y709 AromaticContact CD1-CZ 3.96Å; F696-Y709 WeakPolarHBondContact CD1-OH 3.37Å; F696-Y709 VanDerWaalsContact CE1-OH 3.28Å; F696-Y709 WeakPolarHBondContact CE1-OH 3.43Å; F696-H712 HydrophobicContact CD1-CB 3.8Å; F696-H712 HydrophobicContact CE1-CB 3.71Å; F696-H712 HydrophobicContact CG-CB 4.37Å; F696-H712 HydrophobicContact CZ-CB 4.18Å; F696-D772 PolarHBondContact N-O 2.85Å; F696-I773 HydrophobicContact CB-CG1 3.96Å; F696-I773 WeakPolarHBondContact O-CA 3.38Å; F696-I774 PolarHBondContact O-N 2.86Å
697	L	98.1	Very high	95.2	Very high	1 Å²	1	45.3 Å²	45.3	1%	0.005	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	130.7	-176.1	-64.5	171.7	0	0	0	110.1	C710 G711 I713 M728 I774 F776	L697-C710 HydrophobicContact CB-CB 3.8Å; L697-C710 WeakPolarHBondContact O-CA 3.18Å; L697-C710 PolarHBondContact O-N 3.43Å; L697-G711 PolarHBondContact N-O 3.12Å; L697-I713 HydrophobicContact CD1-CD1 4.23Å; L697-I713 HydrophobicContact CD1-CG1 4.26Å; L697-I713 HydrophobicContact CD1-CG2 3.96Å; L697-M728 HydrophobicContact CD1-CG 4.47Å; L697-M728 HydrophobicContact CD2-CE 3.57Å; L697-M728 HydrophobicContact CD2-CG 4.09Å; L697-M728 HydrophobicContact CD2-SD 4.48Å; L697-I774 WeakPolarHBondContact CA-O 3.27Å; L697-I774 HydrophobicContact CD2-CB 4.2Å; L697-F776 HydrophobicContact CB-CE1 4.23Å
698	K	98.2	Very high	95.3	Very high	7 Å²	7	46.6 Å²	46.6	3%	0.03	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	131.9	169.5	-63.8	-179.8	-178.9	173.1	0	109.9	G588 D590 L707 N708 E745 I773 I774 V775 F776	G588-K698 PolarHBondContact O-NZ 3.43Å; D590-K698 WeakPolarHBondContact O-CE 3.43Å; D590-K698 PolarHBondContact O-NZ 3.12Å; K698-L707 HydrophobicContact CD-CD1 4.46Å; K698-N708 CarbonylContact C-O 3.51Å; K698-N708 WeakPolarHBondContact CA-O 3.49Å; K698-E745 IonicContact NZ-OE1 3.57Å; K698-E745 IonicContact NZ-OE2 3.56Å; K698-E745 PolarHBondContact NZ-OE2 2.66Å; K698-I773 HydrophobicContact CD-CG2 3.89Å; K698-I773 HydrophobicContact CG-CG2 3.97Å; K698-I774 PolarHBondContact N-O 3.16Å; K698-V775 HydrophobicContact CB-CG1 4.26Å; K698-V775 HydrophobicContact CB-CG2 4.17Å; K698-V775 HydrophobicContact CD-CG2 4.42Å; K698-V775 CarbonylContact O-C 3.53Å; K698-V775 WeakPolarHBondContact O-CA 3.25Å; K698-F776 VanDerWaalsContact O-CD1 3.24Å; K698-F776 WeakPolarHBondContact O-CD1 3.44Å; K698-F776 PolarHBondContact O-N 2.86Å
699	M	97.9	Very high	95.6	Very high	24 Å²	24	45.2 Å²	45.2	12%	0.118	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	130.6	169.9	-173.2	-84.3	-71.1	0	0	109.5	D701 L707 N708 C710 A732 F734 F776	M699-D701 HydrophobicContact SD-CB 4.14Å; M699-L707 CarbonylContact O-C 3.58Å; M699-L707 WeakPolarHBondContact O-CA 3.43Å; M699-N708 HydrophobicContact CB-CB 4.44Å; M699-N708 HydrophobicContact CE-CB 4.04Å; M699-N708 WeakPolarHBondContact CE-OD1 3.4Å; M699-N708 PolarHBondContact N-O 3.39Å; M699-N708 PolarHBondContact O-N 2.84Å; M699-C710 VanDerWaalsContact CB-SG 3.59Å; M699-A732 HydrophobicContact CB-CB 4.44Å; M699-A732 HydrophobicContact CG-CB 3.96Å; M699-F734 HydrophobicContact CG-CE2 4.23Å; M699-F734 HydrophobicContact CG-CZ 4.06Å; M699-F734 HydrophobicContact SD-CZ 4.15Å; M699-F776 CarbonylContact C-O 3.59Å; M699-F776 VanDerWaalsContact CA-O 3.3Å; M699-F776 WeakPolarHBondContact CA-O 3.33Å; M699-F776 HydrophobicContact CB-CD2 4.49Å; M699-F776 HydrophobicContact CB-CE1 4.11Å; M699-F776 HydrophobicContact CB-CE2 3.91Å; M699-F776 HydrophobicContact CB-CZ 3.7Å; M699-F776 HydrophobicContact CG-CD2 4.25Å; M699-F776 HydrophobicContact CG-CE2 3.78Å; M699-F776 HydrophobicContact CG-CZ 4.1Å
700	Y	98.1	Very high	95.9	Very high	1 Å²	1	41 Å²	41	0%	0.004	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	127.1	172	176.3	-111.9	0	0	0	110.2	P702 S706 L707 F776 Q777 L788 A791 Y794	Y700-P702 HydrophobicContact CD1-CG 3.93Å; Y700-P702 HydrophobicContact CE1-CB 4.04Å; Y700-P702 HydrophobicContact CE1-CG 3.69Å; Y700-P702 WeakPolarHBondContact O-CD 3.38Å; Y700-S706 WeakPolarHBondContact CD2-O 3.19Å; Y700-L707 HydrophobicContact CD2-CD2 3.98Å; Y700-L707 HydrophobicContact CG-CD2 4.42Å; Y700-F776 PolarHBondContact N-O 2.88Å; Y700-Q777 HydrophobicContact CD1-CB 4.39Å; Y700-Q777 VanDerWaalsContact O-CB 3.25Å; Y700-Q777 WeakPolarHBondContact O-CB 3.49Å; Y700-L788 VanDerWaalsContact OH-CB 3.3Å; Y700-L788 WeakPolarHBondContact OH-CB 3.29Å; Y700-L788 PolarHBondContact OH-O 2.84Å; Y700-A791 HydrophobicContact CD1-CB 3.85Å; Y700-A791 VanDerWaalsContact CD1-N 3.29Å; Y700-A791 HydrophobicContact CG-CB 3.83Å; Y700-Y794 HydrophobicContact CD2-CD2 4.43Å; Y700-Y794 HydrophobicContact CD2-CG 4.19Å; Y700-Y794 HydrophobicContact CE2-CD1 4.37Å; Y700-Y794 AromaticContact CE2-CD2 3.55Å; Y700-Y794 HydrophobicContact CE2-CD2 3.55Å; Y700-Y794 HydrophobicContact CE2-CE2 4.28Å; Y700-Y794 AromaticContact CE2-CG 3.58Å; Y700-Y794 HydrophobicContact CE2-CG 3.58Å
701	D	96.1	Very high	96.2	Very high	48 Å²	48	36.2 Å²	36.2	26%	0.257	18%	0.178	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	107.1	172.9	173.9	18.6	0	0	0	110.5	M699 K703 T704 R705 S706	M699-D701 HydrophobicContact SD-CB 4.14Å; D701-K703 PolarHBondContact O-N 2.97Å; D701-K703 VanDerWaalsContact OD1-CB 3.29Å; D701-K703 WeakPolarHBondContact OD1-CB 3.29Å; D701-K703 PolarHBondContact OD1-N 3.43Å; D701-T704 WeakPolarHBondContact CB-OG1 3.34Å; D701-T704 VanDerWaalsContact CG-OG1 3.28Å; D701-T704 PolarHBondContact O-N 2.88Å; D701-T704 WeakPolarHBondContact OD2-CB 3.25Å; D701-T704 WeakPolarHBondContact OD2-CG2 3.24Å; D701-T704 PolarHBondContact OD2-N 3.02Å; D701-T704 PolarHBondContact OD2-OG1 3.41Å; D701-R705 WeakPolarHBondContact O-CA 3.29Å; D701-R705 PolarHBondContact O-N 2.81Å; D701-S706 PolarHBondContact N-O 2.88Å; D701-S706 VanDerWaalsContact N-O 3.07Å; D701-S706 PolarHBondContact O-N 2.95Å
702	P	94.3	Very high	96.3	Very high	6 Å²	6	31.9 Å²	31.9	4%	0.039	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-25.8	178.2	-24.8	35.9	0	0	0	113.8	Y700 N783 S786 P789	Y700-P702 HydrophobicContact CD1-CG 3.93Å; Y700-P702 HydrophobicContact CE1-CB 4.04Å; Y700-P702 HydrophobicContact CE1-CG 3.69Å; Y700-P702 WeakPolarHBondContact O-CD 3.38Å; P702-N783 HydrophobicContact CB-CB 4.41Å; P702-N783 HydrophobicContact CG-CB 4.36Å; P702-N783 WeakPolarHBondContact CG-OD1 3.18Å; P702-S786 VanDerWaalsContact O-CB 3.32Å; P702-S786 WeakPolarHBondContact O-CB 3.06Å; P702-S786 PolarHBondContact O-OG 3.06Å; P702-P789 WeakPolarHBondContact CG-O 3.5Å
703	K	92.2	Very high	96.3	Very high	173 Å²	173	31.1 Å²	31.1	75%	0.752	15%	0.154	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.4	-45.7	-177.3	-175.2	177.1	-178.6	172.8	0	111.8	D701	D701-K703 PolarHBondContact O-N 2.97Å; D701-K703 VanDerWaalsContact OD1-CB 3.29Å; D701-K703 WeakPolarHBondContact OD1-CB 3.29Å; D701-K703 PolarHBondContact OD1-N 3.43Å
704	T	93.5	Very high	96.3	Very high	78 Å²	78	33.2 Å²	33.2	48%	0.479	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.5	-16.1	176.3	57.2	0	0	0	0	112.8	D701 S706	D701-T704 WeakPolarHBondContact CB-OG1 3.34Å; D701-T704 VanDerWaalsContact CG-OG1 3.28Å; D701-T704 PolarHBondContact O-N 2.88Å; D701-T704 WeakPolarHBondContact OD2-CB 3.25Å; D701-T704 WeakPolarHBondContact OD2-CG2 3.24Å; D701-T704 PolarHBondContact OD2-N 3.02Å; D701-T704 PolarHBondContact OD2-OG1 3.41Å; T704-S706 VanDerWaalsContact C-N 3.32Å; T704-S706 PolarHBondContact OG1-OG 2.92Å
705	R	94.8	Very high	96.2	Very high	118 Å²	118	33.5 Å²	33.5	45%	0.445	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	56	48.2	-172.2	-56.4	169.8	-67.3	-119.2	-11.4	110.7	D701 E787 L788 Y794	D701-R705 WeakPolarHBondContact O-CA 3.29Å; D701-R705 PolarHBondContact O-N 2.81Å; R705-E787 IonicContact NH1-OE2 3.89Å; R705-L788 HydrophobicContact CG-CB 4.49Å; R705-Y794 VanDerWaalsContact O-CE2 3.25Å; R705-Y794 WeakPolarHBondContact O-CE2 3.45Å
706	S	95.9	Very high	96.2	Very high	24 Å²	24	36.3 Å²	36.3	17%	0.168	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	152.6	-177.2	71.5	0	0	0	0	111.9	Q587 Y700 D701 T704	Q587-S706 VanDerWaalsContact OE1-CA 3.29Å; Y700-S706 WeakPolarHBondContact CD2-O 3.19Å; D701-S706 PolarHBondContact N-O 2.88Å; D701-S706 VanDerWaalsContact N-O 3.07Å; D701-S706 PolarHBondContact O-N 2.95Å; T704-S706 VanDerWaalsContact C-N 3.32Å; T704-S706 PolarHBondContact OG1-OG 2.92Å
707	L	97.1	Very high	96	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	137.7	170	-70.6	172.1	0	0	0	109.7	Q587 K698 M699 Y700 V775 Y794 F795	Q587-L707 PolarHBondContact NE2-O 3.2Å; K698-L707 HydrophobicContact CD-CD1 4.46Å; M699-L707 CarbonylContact O-C 3.58Å; M699-L707 WeakPolarHBondContact O-CA 3.43Å; Y700-L707 HydrophobicContact CD2-CD2 3.98Å; Y700-L707 HydrophobicContact CG-CD2 4.42Å; L707-V775 HydrophobicContact CD2-CG1 4.03Å; L707-Y794 HydrophobicContact CD1-CD1 4.18Å; L707-Y794 HydrophobicContact CD1-CE1 3.57Å; L707-Y794 HydrophobicContact CG-CD1 4.26Å; L707-Y794 HydrophobicContact CG-CE1 3.78Å; L707-F795 HydrophobicContact CD1-CE1 3.67Å; L707-F795 HydrophobicContact CD1-CZ 3.56Å; L707-F795 HydrophobicContact CD2-CZ 4.26Å
708	N	96.9	Very high	95.8	Very high	62 Å²	62	43.3 Å²	43.3	33%	0.332	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	123.3	173.9	-56.9	114.5	0	0	0	108.6	K698 M699 C710	K698-N708 CarbonylContact C-O 3.51Å; K698-N708 WeakPolarHBondContact CA-O 3.49Å; M699-N708 HydrophobicContact CB-CB 4.44Å; M699-N708 HydrophobicContact CE-CB 4.04Å; M699-N708 WeakPolarHBondContact CE-OD1 3.4Å; M699-N708 PolarHBondContact N-O 3.39Å; M699-N708 PolarHBondContact O-N 2.84Å; N708-C710 PolarHBondContact O-N 3.48Å
709	Y	97.5	Very high	95.7	Very high	38 Å²	38	44.1 Å²	44.1	15%	0.149	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	130.3	174.5	-177.2	-110.7	0	0	0	109.8	E580 F583 F696 G711	E580-Y709 HydrophobicContact CG-CE1 3.66Å; E580-Y709 PolarHBondContact OE1-OH 3.42Å; F583-Y709 HydrophobicContact CB-CD1 4.24Å; F583-Y709 HydrophobicContact CB-CD2 4.14Å; F583-Y709 HydrophobicContact CB-CE1 4.12Å; F583-Y709 HydrophobicContact CB-CE2 4.03Å; F583-Y709 HydrophobicContact CB-CG 4.24Å; F583-Y709 HydrophobicContact CD2-CE1 4.49Å; F583-Y709 HydrophobicContact CD2-CE2 4.27Å; F583-Y709 AromaticContact CD2-CZ 3.9Å; F696-Y709 AromaticContact CD1-CE2 3.81Å; F696-Y709 HydrophobicContact CD1-CE2 3.81Å; F696-Y709 AromaticContact CD1-CZ 3.96Å; F696-Y709 WeakPolarHBondContact CD1-OH 3.37Å; F696-Y709 VanDerWaalsContact CE1-OH 3.28Å; F696-Y709 WeakPolarHBondContact CE1-OH 3.43Å; Y709-G711 VanDerWaalsContact CZ-CA 3.44Å
710	C	96.7	Very high	95.6	Very high	13 Å²	13	47.3 Å²	47.3	9%	0.088	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	33.1	-177.8	-68.9	0	0	0	0	111.2	L697 M699 N708 R731 F776	L697-C710 HydrophobicContact CB-CB 3.8Å; L697-C710 WeakPolarHBondContact O-CA 3.18Å; L697-C710 PolarHBondContact O-N 3.43Å; M699-C710 VanDerWaalsContact CB-SG 3.59Å; N708-C710 PolarHBondContact O-N 3.48Å; C710-R731 HydrophobicContact CB-CB 4.19Å; C710-R731 WeakPolarHBondContact O-CD 3.06Å; C710-R731 PolarHBondContact O-NH1 2.87Å; C710-F776 HydrophobicContact CB-CE1 4.26Å; C710-F776 HydrophobicContact CB-CZ 4.38Å
711	G	94.9	Very high	95.5	Very high	13 Å²	13	47.2 Å²	47.2	13%	0.134	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	69.3	-171.7	177.6	0	0	0	0	0	114.1	E580 L697 Y709 R731	E580-G711 WeakPolarHBondContact OE1-CA 3.44Å; L697-G711 PolarHBondContact N-O 3.12Å; Y709-G711 VanDerWaalsContact CZ-CA 3.44Å; G711-R731 VanDerWaalsContact C-NH1 3.35Å
712	H	95.9	Very high	95.4	Very high	25 Å²	25	50.7 Å²	50.7	12%	0.116	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	161.5	172	66.6	-75.9	0	0	0	111.9	E580 E671 M694 L695 F696 R731	E580-H712 IonicContact OE1-CE1 2.99Å; E580-H712 IonicContact OE1-CG 3.3Å; E580-H712 IonicContact OE1-ND1 3.9Å; E580-H712 PolarHBondContact OE1-ND1 2.91Å; E580-H712 IonicContact OE2-CE1 3.37Å; E580-H712 IonicContact OE2-ND1 2.77Å; E671-H712 IonicContact OE1-NE2 3.42Å; E671-H712 PolarHBondContact OE1-NE2 2.91Å; M694-H712 HydrophobicContact CG-CB 4.33Å; L695-H712 CarbonylContact O-C 3.53Å; L695-H712 WeakPolarHBondContact O-CA 3.5Å; F696-H712 HydrophobicContact CD1-CB 3.8Å; F696-H712 HydrophobicContact CE1-CB 3.71Å; F696-H712 HydrophobicContact CG-CB 4.37Å; F696-H712 HydrophobicContact CZ-CB 4.18Å; H712-R731 VanDerWaalsContact O-CZ 3.29Å; H712-R731 PolarHBondContact O-NH1 3.5Å; H712-R731 PolarHBondContact O-NH2 2.87Å
713	I	95.7	Very high	95.4	Very high	17 Å²	17	55 Å²	55	9%	0.087	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	149	175.6	53.5	168.7	0	0	0	111	M694 L695 L697 T715 L724 V727 R731	M694-I713 WeakPolarHBondContact CA-O 3.33Å; L695-I713 HydrophobicContact CB-CG1 4.04Å; L695-I713 PolarHBondContact N-O 3.34Å; L695-I713 PolarHBondContact O-N 2.85Å; L697-I713 HydrophobicContact CD1-CD1 4.23Å; L697-I713 HydrophobicContact CD1-CG1 4.26Å; L697-I713 HydrophobicContact CD1-CG2 3.96Å; I713-T715 HydrophobicContact CD1-CG2 4.45Å; I713-L724 HydrophobicContact CD1-CD1 4.21Å; I713-L724 HydrophobicContact CD1-CD2 4.04Å; I713-V727 HydrophobicContact CG2-CG1 4.16Å; I713-R731 VanDerWaalsContact CG2-CZ 3.41Å
714	Y	95.8	Very high	95.6	Very high	50 Å²	50	47.2 Å²	47.2	20%	0.196	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	133.8	161.4	-61.8	-51.1	0	0	0	110.1	R629 W631 E671 P685 F687 M694	R629-Y714 PolarHBondContact NH1-OH 3.48Å; W631-Y714 HydrophobicContact CH2-CE1 4.32Å; W631-Y714 AromaticContact CZ2-CE1 3.84Å; W631-Y714 HydrophobicContact CZ2-CE1 3.84Å; W631-Y714 WeakPolarHBondContact CZ2-OH 3.36Å; E671-Y714 WeakPolarHBondContact OE1-CE2 3.31Å; E671-Y714 VanDerWaalsContact OE1-CZ 3.32Å; E671-Y714 PolarHBondContact OE1-OH 3.1Å; E671-Y714 PolarHBondContact OE2-OH 3.31Å; P685-Y714 HydrophobicContact CB-CD2 4.18Å; P685-Y714 HydrophobicContact CG-CD2 4.29Å; F687-Y714 AromaticContact CD2-CD1 3.47Å; F687-Y714 HydrophobicContact CD2-CD1 3.47Å; F687-Y714 VanDerWaalsContact CD2-CD1 3.47Å; F687-Y714 AromaticContact CD2-CE1 3.62Å; F687-Y714 HydrophobicContact CD2-CE1 3.62Å; F687-Y714 HydrophobicContact CD2-CG 4.24Å; F687-Y714 AromaticContact CE2-CD1 3.84Å; F687-Y714 HydrophobicContact CE2-CD1 3.84Å; F687-Y714 HydrophobicContact CE2-CE1 4.07Å; F687-Y714 HydrophobicContact CG-CE1 4.42Å; M694-Y714 HydrophobicContact CB-CD1 4.03Å; M694-Y714 HydrophobicContact CB-CE1 3.8Å; M694-Y714 HydrophobicContact CG-CD1 4.19Å; M694-Y714 HydrophobicContact CG-CE1 3.76Å; M694-Y714 HydrophobicContact SD-CE1 3.93Å
715	T	95.7	Very high	95.7	Very high	5 Å²	5	44.9 Å²	44.9	3%	0.031	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	142.9	179.3	-178.6	0	0	0	0	110.3	D692 V693 L695 I713 C719 L761	D692-T715 WeakPolarHBondContact CA-O 3.2Å; V693-T715 HydrophobicContact CG1-CG2 3.85Å; V693-T715 PolarHBondContact N-O 3.4Å; V693-T715 PolarHBondContact O-N 3.24Å; L695-T715 HydrophobicContact CD1-CG2 3.91Å; L695-T715 HydrophobicContact CG-CG2 4.32Å; I713-T715 HydrophobicContact CD1-CG2 4.45Å; T715-C719 VanDerWaalsContact OG1-CB 3.22Å; T715-C719 WeakPolarHBondContact OG1-CB 3.29Å; T715-L761 HydrophobicContact CG2-CD1 3.37Å
716	P	96.3	Very high	95.8	Very high	60 Å²	60	42 Å²	42	39%	0.39	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.9	139.7	172.5	-23.5	34	0	0	0	110.8	H691 S718 C719	H691-P716 CarbonylContact O-C 3.49Å; H691-P716 VanDerWaalsContact O-CA 3.31Å; H691-P716 WeakPolarHBondContact O-CA 3.22Å; P716-S718 PolarHBondContact O-N 3.06Å; P716-S718 VanDerWaalsContact O-N 3.11Å; P716-C719 WeakPolarHBondContact O-CA 3.49Å; P716-C719 WeakPolarHBondContact O-CB 3.49Å; P716-C719 PolarHBondContact O-N 3.04Å
717	I	94.8	Very high	95.8	Very high	51 Å²	51	43.1 Å²	43.1	26%	0.262	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.8	-32.8	177.1	-65.3	166.1	0	0	0	111.4	H691 V693 C719 L761 D762 L768	H691-I717 WeakPolarHBondContact O-CG1 3.41Å; H691-I717 PolarHBondContact O-N 3.12Å; V693-I717 HydrophobicContact CB-CG1 4.18Å; V693-I717 HydrophobicContact CG1-CG1 4.27Å; I717-C719 VanDerWaalsContact C-N 3.26Å; I717-C719 PolarHBondContact O-N 3.08Å; I717-L761 PolarHBondContact O-N 2.72Å; I717-D762 HydrophobicContact CG2-CB 3.84Å; I717-L768 HydrophobicContact CB-CD2 4.43Å; I717-L768 HydrophobicContact CG1-CD2 4.24Å; I717-L768 HydrophobicContact CG2-CD2 3.83Å
718	S	94.4	Very high	95.7	Very high	97 Å²	97	43.2 Å²	43.2	68%	0.678	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.6	-7.5	176.4	61	0	0	0	0	114.7	P716	P716-S718 PolarHBondContact O-N 3.06Å; P716-S718 VanDerWaalsContact O-N 3.11Å
719	C	95.4	Very high	95.7	Very high	23 Å²	23	40.3 Å²	40.3	16%	0.155	22%	0.216	C	C	.	.			trans	-62.5	140.8	180	-172.1	0	0	0	0	110.3	T715 P716 I717 S760 L761	T715-C719 VanDerWaalsContact OG1-CB 3.22Å; T715-C719 WeakPolarHBondContact OG1-CB 3.29Å; P716-C719 WeakPolarHBondContact O-CA 3.49Å; P716-C719 WeakPolarHBondContact O-CB 3.49Å; P716-C719 PolarHBondContact O-N 3.04Å; I717-C719 VanDerWaalsContact C-N 3.26Å; I717-C719 PolarHBondContact O-N 3.08Å; C719-S760 CarbonylContact O-C 3.51Å; C719-S760 VanDerWaalsContact O-CA 3.26Å; C719-S760 WeakPolarHBondContact O-CA 3.43Å; C719-L761 HydrophobicContact CB-CD1 4.27Å; C719-L761 PolarHBondContact O-N 3Å
720	K	95.9	Very high	95.6	Very high	91 Å²	91	45.1 Å²	45.1	40%	0.396	24%	0.24	S	C	.	.	B	Isolated β-bridge	trans	-81.3	149.2	175.1	-62.8	179.9	172.9	-161.9	0	110.6	R722 D723 D758 V759	K720-R722 PolarHBondContact O-N 2.64Å; K720-D723 PolarHBondContact O-N 2.98Å; K720-D723 VanDerWaalsContact O-N 3.08Å; K720-D758 WeakPolarHBondContact CD-O 3.33Å; K720-D758 VanDerWaalsContact CE-O 3.27Å; K720-D758 WeakPolarHBondContact CE-O 3.37Å; K720-D758 PolarHBondContact NZ-O 2.8Å; K720-V759 VanDerWaalsContact CA-O 3.29Å; K720-V759 WeakPolarHBondContact CA-O 3.45Å
721	I	94.9	Very high	95.4	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-56.2	-39.8	174.8	-66.4	-73.3	0	0	0	111.3	D723 L724 L742 I754 Y757 V759 L761 A764 L765 I774	I721-D723 PolarHBondContact O-N 3.15Å; I721-L724 WeakPolarHBondContact O-CB 3.27Å; I721-L724 PolarHBondContact O-N 3.46Å; I721-L742 HydrophobicContact CG2-CD2 3.52Å; I721-I754 HydrophobicContact CD1-CD1 4.05Å; I721-I754 HydrophobicContact CG1-CG2 4.27Å; I721-I754 HydrophobicContact CG2-CG2 4.48Å; I721-Y757 HydrophobicContact CG2-CD1 3.7Å; I721-Y757 HydrophobicContact CG2-CE1 4.45Å; I721-Y757 HydrophobicContact CG2-CG 4.06Å; I721-V759 PolarHBondContact N-O 2.97Å; I721-L761 HydrophobicContact CD1-CD2 3.53Å; I721-L761 HydrophobicContact CG1-CD2 4.49Å; I721-A764 HydrophobicContact CD1-CB 3.79Å; I721-A764 HydrophobicContact CG1-CB 3.52Å; I721-L765 HydrophobicContact CD1-CD1 4.04Å; I721-I774 HydrophobicContact CD1-CD1 4.33Å
722	R	94.9	Very high	95.4	Very high	120 Å²	120	49.8 Å²	49.8	45%	0.453	26%	0.256	S	S	.	.	H	α-helix	trans	-55.2	-37.1	178.1	-175.5	-179	-64.1	-87.3	1.2	112.7	K720 L724 L725 Y757 D758	K720-R722 PolarHBondContact O-N 2.64Å; R722-L724 PolarHBondContact O-N 2.72Å; R722-L725 HydrophobicContact CG-CD1 4.35Å; R722-L725 WeakPolarHBondContact O-CB 3.44Å; R722-L725 WeakPolarHBondContact O-CG 3.26Å; R722-L725 PolarHBondContact O-N 2.75Å; R722-Y757 WeakPolarHBondContact CB-O 3.32Å; R722-Y757 PolarHBondContact N-O 3.24Å; R722-D758 IonicContact CZ-OD1 2.6Å; R722-D758 IonicContact CZ-OD2 2.89Å; R722-D758 IonicContact NE-OD1 3.49Å; R722-D758 PolarHBondContact NE-OD1 2.94Å; R722-D758 IonicContact NE-OD2 2.59Å; R722-D758 VanDerWaalsContact NH2-CG 3.33Å; R722-D758 IonicContact NH2-OD1 2.77Å; R722-D758 PolarHBondContact NH2-OD1 3.32Å; R722-D758 IonicContact NH2-OD2 3.06Å; R722-D758 PolarHBondContact NH2-OD2 2.97Å
723	D	95.2	Very high	95.3	Very high	96 Å²	96	51.8 Å²	51.8	51%	0.513	28%	0.284	S	S	.	.	H	α-helix	trans	-73.5	-15.5	-176.9	-57.9	-32	0	0	0	111.9	K720 I721	K720-D723 PolarHBondContact O-N 2.98Å; K720-D723 VanDerWaalsContact O-N 3.08Å; I721-D723 PolarHBondContact O-N 3.15Å
724	L	95.7	Very high	95.2	Very high	11 Å²	11	53.6 Å²	53.6	6%	0.058	29%	0.291	C	S	.	.	H	α-helix	trans	-88.8	-18.2	175.7	-55.8	-176.5	0	0	0	113.4	L695 I713 I721 R722 P726 V727 M728 L761	L695-L724 HydrophobicContact CD1-CD1 4.42Å; I713-L724 HydrophobicContact CD1-CD1 4.21Å; I713-L724 HydrophobicContact CD1-CD2 4.04Å; I721-L724 WeakPolarHBondContact O-CB 3.27Å; I721-L724 PolarHBondContact O-N 3.46Å; R722-L724 PolarHBondContact O-N 2.72Å; L724-P726 VanDerWaalsContact C-CD 3.49Å; L724-V727 PolarHBondContact O-N 3.26Å; L724-M728 HydrophobicContact CB-CE 4.13Å; L724-M728 PolarHBondContact O-N 2.89Å; L724-M728 VanDerWaalsContact O-N 3.12Å; L724-L761 HydrophobicContact CD1-CD1 4.4Å; L724-L761 HydrophobicContact CD1-CD2 3.86Å
725	L	95.3	Very high	95.1	Very high	29 Å²	29	58.9 Å²	58.9	15%	0.152	32%	0.318	C	S	.	.	H	α-helix	trans	-58.4	-41.2	-177.9	-58.3	176.2	0	0	0	113.6	R722 V727 M728 C729 L740 L742 Y757	R722-L725 HydrophobicContact CG-CD1 4.35Å; R722-L725 WeakPolarHBondContact O-CB 3.44Å; R722-L725 WeakPolarHBondContact O-CG 3.26Å; R722-L725 PolarHBondContact O-N 2.75Å; L725-V727 VanDerWaalsContact C-N 3.27Å; L725-V727 PolarHBondContact O-N 2.85Å; L725-M728 HydrophobicContact CD2-SD 4.33Å; L725-M728 PolarHBondContact O-N 3.47Å; L725-C729 PolarHBondContact O-N 3Å; L725-C729 PolarHBondContact O-SG 2.92Å; L725-L740 HydrophobicContact CD2-CD1 4.23Å; L725-L742 HydrophobicContact CD2-CD1 3.67Å; L725-L742 HydrophobicContact CD2-CD2 3.96Å; L725-L742 HydrophobicContact CD2-CG 4.48Å; L725-Y757 HydrophobicContact CD1-CD2 4.21Å
726	P	96.1	Very high	94.9	Very high	57 Å²	57	63.6 Å²	63.6	37%	0.37	34%	0.339	S	S	.	.	H	α-helix	trans	-59.1	-38	177.8	-26.4	36.8	0	0	0	113.3	L724 E730 Q736	L724-P726 VanDerWaalsContact C-CD 3.49Å; P726-E730 WeakPolarHBondContact O-CB 3.46Å; P726-E730 PolarHBondContact O-N 3.5Å; P726-Q736 VanDerWaalsContact CA-OE1 3.31Å; P726-Q736 PolarHBondContact O-NE2 2.6Å; P726-Q736 VanDerWaalsContact O-NE2 3.11Å
727	V	95.6	Very high	94.7	Very high	48 Å²	48	70 Å²	70	29%	0.291	36%	0.364	S	S	.	.	H	α-helix	trans	-70.2	-43.1	178.4	-179.3	0	0	0	0	110.5	I713 L724 L725 C729 E730 R731	I713-V727 HydrophobicContact CG2-CG1 4.16Å; L724-V727 PolarHBondContact O-N 3.26Å; L725-V727 VanDerWaalsContact C-N 3.27Å; L725-V727 PolarHBondContact O-N 2.85Å; V727-C729 VanDerWaalsContact C-N 3.34Å; V727-C729 PolarHBondContact O-N 2.82Å; V727-E730 PolarHBondContact O-N 2.74Å; V727-R731 HydrophobicContact CG1-CG 4.34Å; V727-R731 WeakPolarHBondContact O-CB 3.34Å; V727-R731 WeakPolarHBondContact O-CG 3.46Å; V727-R731 PolarHBondContact O-N 2.87Å
728	M	96.6	Very high	94.6	Very high	1 Å²	1	69 Å²	69	1%	0.005	36%	0.36	C	S	.	.	H	α-helix	trans	-60.5	-44	175.4	-67.3	176.8	-175.1	0	0	111.6	L697 L724 L725 A732 L740 L742 I774 F776	L697-M728 HydrophobicContact CD1-CG 4.47Å; L697-M728 HydrophobicContact CD2-CE 3.57Å; L697-M728 HydrophobicContact CD2-CG 4.09Å; L697-M728 HydrophobicContact CD2-SD 4.48Å; L724-M728 HydrophobicContact CB-CE 4.13Å; L724-M728 PolarHBondContact O-N 2.89Å; L724-M728 VanDerWaalsContact O-N 3.12Å; L725-M728 HydrophobicContact CD2-SD 4.33Å; L725-M728 PolarHBondContact O-N 3.47Å; M728-A732 WeakPolarHBondContact O-CB 3.36Å; M728-A732 PolarHBondContact O-N 3.08Å; M728-L740 HydrophobicContact CB-CD1 4.01Å; M728-L742 HydrophobicContact CE-CD2 3.87Å; M728-L742 HydrophobicContact SD-CD1 4.43Å; M728-L742 HydrophobicContact SD-CD2 3.87Å; M728-L742 HydrophobicContact SD-CG 4.17Å; M728-I774 HydrophobicContact CE-CB 4.34Å; M728-I774 HydrophobicContact CE-CD1 4.22Å; M728-I774 HydrophobicContact CE-CG2 3.79Å; M728-F776 HydrophobicContact CB-CD1 4.3Å; M728-F776 HydrophobicContact CB-CD2 4.1Å; M728-F776 HydrophobicContact CB-CE1 4.1Å; M728-F776 HydrophobicContact CB-CE2 3.88Å; M728-F776 HydrophobicContact CB-CG 4.3Å; M728-F776 HydrophobicContact CB-CZ 3.87Å; M728-F776 HydrophobicContact CG-CD1 4.12Å; M728-F776 HydrophobicContact CG-CE1 4.12Å; M728-F776 HydrophobicContact CG-CG 4.42Å; M728-F776 HydrophobicContact CG-CZ 4.39Å; M728-F776 WeakPolarHBondContact O-CE2 3.19Å; M728-F776 WeakPolarHBondContact O-CZ 3.45Å; M728-F776 HydrophobicContact SD-CB 4.24Å; M728-F776 HydrophobicContact SD-CD1 4.1Å; M728-F776 HydrophobicContact SD-CG 4.11Å
729	C	95.7	Very high	94.6	Very high	2 Å²	2	67.7 Å²	67.7	1%	0.014	35%	0.351	C	S	.	.	H	α-helix	trans	-60.9	-47.1	175.3	-74.9	0	0	0	0	111.8	L725 V727 A732 G733 F734	L725-C729 PolarHBondContact O-N 3Å; L725-C729 PolarHBondContact O-SG 2.92Å; V727-C729 VanDerWaalsContact C-N 3.34Å; V727-C729 PolarHBondContact O-N 2.82Å; C729-A732 PolarHBondContact O-N 3.43Å; C729-G733 PolarHBondContact O-N 3.47Å; C729-G733 VanDerWaalsContact O-N 3.08Å; C729-F734 HydrophobicContact CB-CB 4.18Å; C729-F734 PolarHBondContact O-N 2.84Å
730	E	95.4	Very high	94.7	Very high	139 Å²	139	67 Å²	67	65%	0.65	35%	0.346	S	S	*	.	H	α-helix	trans	-59.4	-49.5	178.3	-178.1	178.3	-170.6	0	0	111.7	P726 V727 A732 G733	P726-E730 WeakPolarHBondContact O-CB 3.46Å; P726-E730 PolarHBondContact O-N 3.5Å; V727-E730 PolarHBondContact O-N 2.74Å; E730-A732 VanDerWaalsContact C-N 3.3Å; E730-A732 PolarHBondContact O-N 3.23Å; E730-G733 PolarHBondContact O-N 2.77Å
731	R	93.8	Very high	94.7	Very high	101 Å²	101	63.2 Å²	63.2	38%	0.381	33%	0.33	S	S	.	.	H	α-helix	trans	-67.1	-29	-178	-68.4	-170	-179.5	-162.5	-4.9	113.7	C710 G711 H712 I713 V727 G733	C710-R731 HydrophobicContact CB-CB 4.19Å; C710-R731 WeakPolarHBondContact O-CD 3.06Å; C710-R731 PolarHBondContact O-NH1 2.87Å; G711-R731 VanDerWaalsContact C-NH1 3.35Å; H712-R731 VanDerWaalsContact O-CZ 3.29Å; H712-R731 PolarHBondContact O-NH1 3.5Å; H712-R731 PolarHBondContact O-NH2 2.87Å; I713-R731 VanDerWaalsContact CG2-CZ 3.41Å; V727-R731 HydrophobicContact CG1-CG 4.34Å; V727-R731 WeakPolarHBondContact O-CB 3.34Å; V727-R731 WeakPolarHBondContact O-CG 3.46Å; V727-R731 PolarHBondContact O-N 2.87Å; R731-G733 VanDerWaalsContact C-N 3.35Å
732	A	93.1	Very high	94.9	Very high	22 Å²	22	63.2 Å²	63.2	18%	0.182	33%	0.33	C	S	.	.	H	α-helix	trans	-86.3	-4.4	173.5	0	0	0	0	0	113.7	M699 M728 C729 E730 F734 F776	M699-A732 HydrophobicContact CB-CB 4.44Å; M699-A732 HydrophobicContact CG-CB 3.96Å; M728-A732 WeakPolarHBondContact O-CB 3.36Å; M728-A732 PolarHBondContact O-N 3.08Å; C729-A732 PolarHBondContact O-N 3.43Å; E730-A732 VanDerWaalsContact C-N 3.3Å; E730-A732 PolarHBondContact O-N 3.23Å; A732-F734 VanDerWaalsContact C-N 3.31Å; A732-F734 HydrophobicContact CB-CD1 4.25Å; A732-F734 HydrophobicContact CB-CD2 3.63Å; A732-F734 HydrophobicContact CB-CE1 4.15Å; A732-F734 HydrophobicContact CB-CE2 3.52Å; A732-F734 HydrophobicContact CB-CG 4.01Å; A732-F734 HydrophobicContact CB-CZ 3.79Å; A732-F776 HydrophobicContact CB-CE2 3.69Å; A732-F776 HydrophobicContact CB-CZ 3.96Å
733	G	94.1	Very high	95	Very high	68 Å²	68	58 Å²	58	70%	0.701	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.7	24.2	-175.9	0	0	0	0	0	113.9	C729 E730 R731	C729-G733 PolarHBondContact O-N 3.47Å; C729-G733 VanDerWaalsContact O-N 3.08Å; E730-G733 PolarHBondContact O-N 2.77Å; R731-G733 VanDerWaalsContact C-N 3.35Å
734	F	94.6	Very high	95.1	Very high	54 Å²	54	54 Å²	54	24%	0.237	29%	0.288	C	S	.	.	P	Polyproline II helix	trans	-84.3	160.8	175.5	-58.9	-27.4	0	0	0	111.8	M699 C729 A732 T738 L740 F776 K778	M699-F734 HydrophobicContact CG-CE2 4.23Å; M699-F734 HydrophobicContact CG-CZ 4.06Å; M699-F734 HydrophobicContact SD-CZ 4.15Å; C729-F734 HydrophobicContact CB-CB 4.18Å; C729-F734 PolarHBondContact O-N 2.84Å; A732-F734 VanDerWaalsContact C-N 3.31Å; A732-F734 HydrophobicContact CB-CD1 4.25Å; A732-F734 HydrophobicContact CB-CD2 3.63Å; A732-F734 HydrophobicContact CB-CE1 4.15Å; A732-F734 HydrophobicContact CB-CE2 3.52Å; A732-F734 HydrophobicContact CB-CG 4.01Å; A732-F734 HydrophobicContact CB-CZ 3.79Å; F734-T738 HydrophobicContact CB-CG2 4.47Å; F734-L740 HydrophobicContact CD2-CD2 3.91Å; F734-L740 HydrophobicContact CE2-CD2 4.02Å; F734-F776 HydrophobicContact CE2-CE2 4.22Å; F734-K778 HydrophobicContact CZ-CB 4.49Å
735	Q	92.9	Very high	95.2	Very high	161 Å²	161	53.5 Å²	53.5	75%	0.752	29%	0.286	S	S	*	.	P	Polyproline II helix	trans	-68.3	145.7	171.3	-68	-177.6	-20.6	0	0	109.9	T738	Q735-T738 VanDerWaalsContact O-CB 3.3Å; Q735-T738 WeakPolarHBondContact O-CB 3.21Å; Q735-T738 PolarHBondContact O-N 2.84Å; Q735-T738 PolarHBondContact O-OG1 3.34Å
736	Q	92.6	Very high	95.1	Very high	104 Å²	104	53.5 Å²	53.5	49%	0.486	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.4	147.7	172.5	-68.8	-61.6	-24.3	0	0	110.3	P726 T738	P726-Q736 VanDerWaalsContact CA-OE1 3.31Å; P726-Q736 PolarHBondContact O-NE2 2.6Å; P726-Q736 VanDerWaalsContact O-NE2 3.11Å; Q736-T738 PolarHBondContact O-N 2.96Å
737	E	90.5	Very high	94.9	Very high	195 Å²	195	54.8 Å²	54.8	91%	0.911	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.6	12.6	-173.7	-50	-178.1	169	0	0	115.7	S739	E737-S739 PolarHBondContact O-N 2.81Å
738	T	93.5	Very high	94.7	Very high	30 Å²	30	54.7 Å²	54.7	18%	0.184	29%	0.287	C	S	.	.			trans	-59.1	133.5	169.8	-63.5	0	0	0	0	110.5	F734 Q735 Q736 L740 K778	F734-T738 HydrophobicContact CB-CG2 4.47Å; Q735-T738 VanDerWaalsContact O-CB 3.3Å; Q735-T738 WeakPolarHBondContact O-CB 3.21Å; Q735-T738 PolarHBondContact O-N 2.84Å; Q735-T738 PolarHBondContact O-OG1 3.34Å; Q736-T738 PolarHBondContact O-N 2.96Å; T738-L740 HydrophobicContact CG2-CD2 4.23Å; T738-L740 PolarHBondContact O-N 3.24Å; T738-K778 HydrophobicContact CG2-CD 4.48Å; T738-K778 HydrophobicContact CG2-CG 3.9Å
739	S	95	Very high	94.5	Very high	70 Å²	70	57.5 Å²	57.5	49%	0.49	30%	0.302	S	S	.	.			trans	-68.6	126.6	174.7	-169	0	0	0	0	110.5	E737 D779	E737-S739 PolarHBondContact O-N 2.81Å; S739-D779 PolarHBondContact O-N 3.05Å; S739-D779 PolarHBondContact OG-OD2 3.24Å
740	L	96.8	Very high	94.3	Very high	7 Å²	7	60 Å²	60	4%	0.037	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	145.8	-178	-61.3	-177.9	0	0	0	111.7	L725 M728 F734 T738 L742 Y757 F776 Q777	L725-L740 HydrophobicContact CD2-CD1 4.23Å; M728-L740 HydrophobicContact CB-CD1 4.01Å; F734-L740 HydrophobicContact CD2-CD2 3.91Å; F734-L740 HydrophobicContact CE2-CD2 4.02Å; T738-L740 HydrophobicContact CG2-CD2 4.23Å; T738-L740 PolarHBondContact O-N 3.24Å; L740-L742 HydrophobicContact CB-CD1 3.64Å; L740-Y757 PolarHBondContact O-OH 2.59Å; L740-F776 HydrophobicContact CD1-CD2 3.99Å; L740-F776 HydrophobicContact CD2-CD2 4.36Å; L740-Q777 WeakPolarHBondContact CA-O 3.4Å
741	I	97.3	Very high	94.3	Very high	13 Å²	13	53.6 Å²	53.6	7%	0.067	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	123.1	166.8	-47.2	177.8	0	0	0	107.7	Y743 R753 Y757 F776 Q777 D779	I741-Y743 HydrophobicContact CB-CE2 4.24Å; I741-Y743 HydrophobicContact CG2-CD2 4.32Å; I741-Y743 HydrophobicContact CG2-CE2 3.51Å; I741-R753 HydrophobicContact CG2-CG 4.4Å; I741-Y757 WeakPolarHBondContact CA-OH 3.47Å; I741-F776 CarbonylContact O-C 3.44Å; I741-F776 VanDerWaalsContact O-CA 3.28Å; I741-F776 WeakPolarHBondContact O-CA 3.44Å; I741-Q777 HydrophobicContact CB-CG 3.9Å; I741-Q777 HydrophobicContact CD1-CG 4.4Å; I741-Q777 HydrophobicContact CG1-CG 4.4Å; I741-Q777 PolarHBondContact N-O 2.89Å; I741-Q777 PolarHBondContact O-N 3.4Å; I741-D779 HydrophobicContact CD1-CB 4.2Å; I741-D779 HydrophobicContact CG1-CB 3.7Å
742	L	97.9	Very high	94.4	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	143	179.8	-79.3	65.7	0	0	0	111.2	I721 L725 M728 L740 I754 Y757 I774 V775 F776	I721-L742 HydrophobicContact CG2-CD2 3.52Å; L725-L742 HydrophobicContact CD2-CD1 3.67Å; L725-L742 HydrophobicContact CD2-CD2 3.96Å; L725-L742 HydrophobicContact CD2-CG 4.48Å; M728-L742 HydrophobicContact CE-CD2 3.87Å; M728-L742 HydrophobicContact SD-CD1 4.43Å; M728-L742 HydrophobicContact SD-CD2 3.87Å; M728-L742 HydrophobicContact SD-CG 4.17Å; L740-L742 HydrophobicContact CB-CD1 3.64Å; L742-I754 HydrophobicContact CB-CB 4.14Å; L742-I754 HydrophobicContact CB-CD1 4.09Å; L742-I754 HydrophobicContact CB-CG1 4.3Å; L742-I754 HydrophobicContact CD2-CD1 4.48Å; L742-I754 PolarHBondContact O-N 3.05Å; L742-Y757 HydrophobicContact CB-CE1 4.14Å; L742-Y757 HydrophobicContact CD1-CE1 4.37Å; L742-Y757 PolarHBondContact N-OH 3.49Å; L742-I774 HydrophobicContact CB-CG2 4.33Å; L742-I774 HydrophobicContact CD2-CG2 4.11Å; L742-I774 HydrophobicContact CG-CG2 4.13Å; L742-V775 CarbonylContact C-O 3.48Å; L742-F776 HydrophobicContact CD1-CB 4.18Å; L742-F776 HydrophobicContact CG-CB 4.08Å
743	Y	97.8	Very high	94.6	Very high	11 Å²	11	58 Å²	58	4%	0.043	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	148.7	174.6	-61	-88.6	0	0	0	110.7	I741 T751 E752 R753 I774 V775 Q777 A791 K792	I741-Y743 HydrophobicContact CB-CE2 4.24Å; I741-Y743 HydrophobicContact CG2-CD2 4.32Å; I741-Y743 HydrophobicContact CG2-CE2 3.51Å; Y743-T751 HydrophobicContact CD1-CG2 4Å; Y743-T751 HydrophobicContact CG-CG2 3.95Å; Y743-E752 CarbonylContact C-O 3.47Å; Y743-E752 WeakPolarHBondContact CA-O 3.25Å; Y743-E752 WeakPolarHBondContact CB-O 3.35Å; Y743-R753 HydrophobicContact CD1-CB 3.82Å; Y743-R753 HydrophobicContact CD1-CG 4.2Å; Y743-R753 HydrophobicContact CE1-CB 3.72Å; Y743-R753 HydrophobicContact CE1-CG 3.9Å; Y743-I774 CarbonylContact O-C 3.56Å; Y743-I774 WeakPolarHBondContact O-CA 3.43Å; Y743-V775 PolarHBondContact N-O 2.97Å; Y743-V775 PolarHBondContact O-N 3.29Å; Y743-Q777 HydrophobicContact CE2-CG 4.48Å; Y743-A791 HydrophobicContact CD2-CB 4.04Å; Y743-A791 HydrophobicContact CE2-CB 4.27Å; Y743-K792 HydrophobicContact CD1-CB 4.34Å; Y743-K792 HydrophobicContact CE1-CB 3.96Å
744	E	97.3	Very high	94.7	Very high	10 Å²	10	55 Å²	55	5%	0.047	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	127.9	165.8	-169.8	-171.6	162.2	0	0	109.6	V746 T751 E752 L765 D766	E744-V746 HydrophobicContact CB-CG2 4.38Å; E744-V746 HydrophobicContact CG-CG2 3.97Å; E744-V746 PolarHBondContact O-N 2.91Å; E744-T751 WeakPolarHBondContact O-CA 3.27Å; E744-E752 PolarHBondContact N-O 2.74Å; E744-E752 PolarHBondContact O-N 3.49Å; E744-L765 HydrophobicContact CG-CD2 4.05Å; E744-L765 HydrophobicContact CG-CG 4.1Å; E744-L765 WeakPolarHBondContact OE2-CA 3.38Å; E744-D766 PolarHBondContact OE2-N 3.44Å
745	E	96.6	Very high	94.5	Very high	1 Å²	1	61.1 Å²	61.1	1%	0.005	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	85.5	171.4	-170.9	-161.5	153	0	0	110.3	N589 D590 R642 K698 I773 V775 F795	N589-E745 WeakPolarHBondContact CA-OE1 3.48Å; N589-E745 WeakPolarHBondContact CB-OE1 3.32Å; N589-E745 PolarHBondContact ND2-OE1 3.38Å; D590-E745 PolarHBondContact N-OE1 2.95Å; R642-E745 PolarHBondContact NH2-O 2.78Å; R642-E745 IonicContact NH2-OE1 3.5Å; K698-E745 IonicContact NZ-OE1 3.57Å; K698-E745 IonicContact NZ-OE2 3.56Å; K698-E745 PolarHBondContact NZ-OE2 2.66Å; E745-I773 HydrophobicContact CB-CB 4.03Å; E745-I773 HydrophobicContact CB-CG2 4.09Å; E745-I773 PolarHBondContact N-O 2.99Å; E745-I773 WeakPolarHBondContact OE2-CD1 3.37Å; E745-V775 HydrophobicContact CB-CG2 3.91Å; E745-F795 HydrophobicContact CG-CE2 4.38Å; E745-F795 HydrophobicContact CG-CZ 4.17Å
746	V	93.9	Very high	94.5	Very high	30 Å²	30	57.3 Å²	57.3	18%	0.182	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	-52.3	-177.2	-176.1	0	0	0	0	111.6	N638 E744 L750 E752	N638-V746 PolarHBondContact ND2-O 2.92Å; E744-V746 HydrophobicContact CB-CG2 4.38Å; E744-V746 HydrophobicContact CG-CG2 3.97Å; E744-V746 PolarHBondContact O-N 2.91Å; V746-L750 HydrophobicContact CB-CD2 3.97Å; V746-L750 HydrophobicContact CB-CG 4.12Å; V746-L750 HydrophobicContact CG1-CD2 3.86Å; V746-L750 HydrophobicContact CG2-CD2 4.47Å; V746-L750 HydrophobicContact CG2-CG 4.47Å; V746-L750 PolarHBondContact N-O 2.8Å; V746-E752 HydrophobicContact CG2-CG 4.12Å
747	K	92.8	Very high	94.6	Very high	84 Å²	84	54.4 Å²	54.4	37%	0.365	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.2	169.5	178.4	66.8	178.5	179.1	-163.4	0	110.9	N638 T640 N749 L750	N638-K747 HydrophobicContact CB-CD 4.13Å; T640-K747 HydrophobicContact CG2-CB 3.89Å; K747-N749 PolarHBondContact O-N 2.77Å; K747-L750 HydrophobicContact CD-CB 4.47Å; K747-L750 HydrophobicContact CD-CD2 4.37Å; K747-L750 HydrophobicContact CG-CB 3.59Å; K747-L750 HydrophobicContact CG-CD2 4.08Å; K747-L750 HydrophobicContact CG-CG 4.45Å; K747-L750 PolarHBondContact N-O 3.31Å; K747-L750 CarbonylContact O-C 3.46Å; K747-L750 PolarHBondContact O-N 2.93Å
748	P	91.4	Very high	94.8	Very high	46 Å²	46	48.6 Å²	48.6	30%	0.299	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.9	129.9	176.5	-28.2	35.7	0	0	0	112.9	N589 L750 Y799	N589-P748 HydrophobicContact CB-CG 4.03Å; P748-L750 PolarHBondContact O-N 2.96Å; P748-Y799 HydrophobicContact CB-CD2 3.73Å; P748-Y799 HydrophobicContact CB-CE2 4.24Å
749	N	90.6	Very high	94.9	Very high	59 Å²	59	49 Å²	49	32%	0.316	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.1	11.5	-175	178	84.3	0	0	0	115.7	K747 Y799 H800	K747-N749 PolarHBondContact O-N 2.77Å; N749-Y799 HydrophobicContact CB-CD1 3.6Å; N749-Y799 HydrophobicContact CB-CD2 3.75Å; N749-Y799 HydrophobicContact CB-CE1 4.16Å; N749-Y799 HydrophobicContact CB-CE2 4.28Å; N749-Y799 HydrophobicContact CB-CG 3.37Å; N749-H800 PolarHBondContact OD1-NE2 3.22Å
750	L	93.4	Very high	94.8	Very high	55 Å²	55	46.4 Å²	46.4	29%	0.288	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	100.2	166.4	-174.8	63.3	0	0	0	109.5	V746 K747 P748 E752	V746-L750 HydrophobicContact CB-CD2 3.97Å; V746-L750 HydrophobicContact CB-CG 4.12Å; V746-L750 HydrophobicContact CG1-CD2 3.86Å; V746-L750 HydrophobicContact CG2-CD2 4.47Å; V746-L750 HydrophobicContact CG2-CG 4.47Å; V746-L750 PolarHBondContact N-O 2.8Å; K747-L750 HydrophobicContact CD-CB 4.47Å; K747-L750 HydrophobicContact CD-CD2 4.37Å; K747-L750 HydrophobicContact CG-CB 3.59Å; K747-L750 HydrophobicContact CG-CD2 4.08Å; K747-L750 HydrophobicContact CG-CG 4.45Å; K747-L750 PolarHBondContact N-O 3.31Å; K747-L750 CarbonylContact O-C 3.46Å; K747-L750 PolarHBondContact O-N 2.93Å; P748-L750 PolarHBondContact O-N 2.96Å; L750-E752 HydrophobicContact CD1-CG 4.07Å; L750-E752 HydrophobicContact CG-CG 4.21Å
751	T	95.4	Very high	94.7	Very high	4 Å²	4	46.1 Å²	46.1	3%	0.025	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	107.5	178.1	-51	0	0	0	0	107.3	Y743 E744 K792 F795	Y743-T751 HydrophobicContact CD1-CG2 4Å; Y743-T751 HydrophobicContact CG-CG2 3.95Å; E744-T751 WeakPolarHBondContact O-CA 3.27Å; T751-K792 HydrophobicContact CG2-CB 4.33Å; T751-K792 WeakPolarHBondContact O-CD 3.23Å; T751-F795 HydrophobicContact CG2-CD2 4.05Å; T751-F795 HydrophobicContact CG2-CE2 4.5Å; T751-F795 WeakPolarHBondContact OG1-CD2 3.31Å
752	E	95.7	Very high	94.4	Very high	81 Å²	81	49.4 Å²	49.4	38%	0.379	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	140.9	-172.6	-59	-153.3	157.3	0	0	110.2	Y743 E744 V746 L750	Y743-E752 CarbonylContact C-O 3.47Å; Y743-E752 WeakPolarHBondContact CA-O 3.25Å; Y743-E752 WeakPolarHBondContact CB-O 3.35Å; E744-E752 PolarHBondContact N-O 2.74Å; E744-E752 PolarHBondContact O-N 3.49Å; V746-E752 HydrophobicContact CG2-CG 4.12Å; L750-E752 HydrophobicContact CD1-CG 4.07Å; L750-E752 HydrophobicContact CG-CG 4.21Å
753	R	96.5	Very high	94.1	Very high	134 Å²	134	56.7 Å²	56.7	51%	0.506	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	128.9	-177.7	-173.5	-179.1	176.6	-175.6	4.5	108.7	I741 Y743 Q755	I741-R753 HydrophobicContact CG2-CG 4.4Å; Y743-R753 HydrophobicContact CD1-CB 3.82Å; Y743-R753 HydrophobicContact CD1-CG 4.2Å; Y743-R753 HydrophobicContact CE1-CB 3.72Å; Y743-R753 HydrophobicContact CE1-CG 3.9Å; R753-Q755 PolarHBondContact O-N 3.1Å
754	I	95.9	Very high	93.8	Very high	7 Å²	7	57.3 Å²	57.3	4%	0.036	28%	0.282	C	S	.	.	P	Polyproline II helix	trans	-75	117.5	172	-53.2	-176.5	0	0	0	107.4	I721 L742 Y757 A764 L765 I774	I721-I754 HydrophobicContact CD1-CD1 4.05Å; I721-I754 HydrophobicContact CG1-CG2 4.27Å; I721-I754 HydrophobicContact CG2-CG2 4.48Å; L742-I754 HydrophobicContact CB-CB 4.14Å; L742-I754 HydrophobicContact CB-CD1 4.09Å; L742-I754 HydrophobicContact CB-CG1 4.3Å; L742-I754 HydrophobicContact CD2-CD1 4.48Å; L742-I754 PolarHBondContact O-N 3.05Å; I754-Y757 HydrophobicContact CB-CE1 4.24Å; I754-Y757 HydrophobicContact CG2-CD1 4.05Å; I754-Y757 HydrophobicContact CG2-CE1 4.14Å; I754-Y757 WeakPolarHBondContact O-CE1 3.44Å; I754-A764 HydrophobicContact CG2-CB 4.21Å; I754-L765 HydrophobicContact CD1-CD1 4.05Å; I754-I774 HydrophobicContact CD1-CD1 4.46Å; I754-I774 HydrophobicContact CD1-CG2 4.46Å
755	Q	90.4	Very high	93.4	Very high	181 Å²	181	57 Å²	57	85%	0.846	28%	0.281	S	S	*	.			trans	-93.5	-39	-171.4	-61.6	-177	25.7	0	0	113.1	R753	R753-Q755 PolarHBondContact O-N 3.1Å
756	D	93.3	Very high	93	Very high	82 Å²	82	62.7 Å²	62.7	44%	0.439	31%	0.312	S	S	.	.			trans	-112.5	121.7	-178.5	-168.6	-17.6	0	0	0	109	D758 V759	D756-D758 WeakPolarHBondContact OD1-CB 3.47Å; D756-D758 PolarHBondContact OD1-N 3.06Å; D756-V759 HydrophobicContact CB-CG1 4.33Å; D756-V759 HydrophobicContact CB-CG2 4.15Å; D756-V759 WeakPolarHBondContact O-CG2 3.5Å
757	Y	94.8	Very high	92.7	Very high	42 Å²	42	68.6 Å²	68.6	17%	0.165	34%	0.337	C	S	.	.	S	Bend	trans	-92.5	-8.3	179.5	-59.5	-19.5	0	0	0	112.6	I721 R722 L725 L740 I741 L742 I754	I721-Y757 HydrophobicContact CG2-CD1 3.7Å; I721-Y757 HydrophobicContact CG2-CE1 4.45Å; I721-Y757 HydrophobicContact CG2-CG 4.06Å; R722-Y757 WeakPolarHBondContact CB-O 3.32Å; R722-Y757 PolarHBondContact N-O 3.24Å; L725-Y757 HydrophobicContact CD1-CD2 4.21Å; L740-Y757 PolarHBondContact O-OH 2.59Å; I741-Y757 WeakPolarHBondContact CA-OH 3.47Å; L742-Y757 HydrophobicContact CB-CE1 4.14Å; L742-Y757 HydrophobicContact CD1-CE1 4.37Å; L742-Y757 PolarHBondContact N-OH 3.49Å; I754-Y757 HydrophobicContact CB-CE1 4.24Å; I754-Y757 HydrophobicContact CG2-CD1 4.05Å; I754-Y757 HydrophobicContact CG2-CE1 4.14Å; I754-Y757 WeakPolarHBondContact O-CE1 3.44Å
758	D	94.6	Very high	92.7	Very high	73 Å²	73	66.4 Å²	66.4	39%	0.39	33%	0.329	S	S	.	.	S	Bend	trans	-92.5	-2	-176.9	-72.2	-54.8	0	0	0	113.9	K720 R722 D756	K720-D758 WeakPolarHBondContact CD-O 3.33Å; K720-D758 VanDerWaalsContact CE-O 3.27Å; K720-D758 WeakPolarHBondContact CE-O 3.37Å; K720-D758 PolarHBondContact NZ-O 2.8Å; R722-D758 IonicContact CZ-OD1 2.6Å; R722-D758 IonicContact CZ-OD2 2.89Å; R722-D758 IonicContact NE-OD1 3.49Å; R722-D758 PolarHBondContact NE-OD1 2.94Å; R722-D758 IonicContact NE-OD2 2.59Å; R722-D758 VanDerWaalsContact NH2-CG 3.33Å; R722-D758 IonicContact NH2-OD1 2.77Å; R722-D758 PolarHBondContact NH2-OD1 3.32Å; R722-D758 IonicContact NH2-OD2 3.06Å; R722-D758 PolarHBondContact NH2-OD2 2.97Å; D756-D758 WeakPolarHBondContact OD1-CB 3.47Å; D756-D758 PolarHBondContact OD1-N 3.06Å
759	V	94.8	Very high	92.9	Very high	38 Å²	38	68.4 Å²	68.4	23%	0.23	34%	0.336	C	S	.	.	S	Bend	trans	-89.5	158	172.5	-64.2	0	0	0	0	111.8	K720 I721 D756 K763 A764	K720-V759 VanDerWaalsContact CA-O 3.29Å; K720-V759 WeakPolarHBondContact CA-O 3.45Å; I721-V759 PolarHBondContact N-O 2.97Å; D756-V759 HydrophobicContact CB-CG1 4.33Å; D756-V759 HydrophobicContact CB-CG2 4.15Å; D756-V759 WeakPolarHBondContact O-CG2 3.5Å; V759-K763 HydrophobicContact CB-CB 4.1Å; V759-K763 HydrophobicContact CG2-CB 4.45Å; V759-A764 HydrophobicContact CG2-CB 3.93Å
760	S	94.6	Very high	93.1	Very high	17 Å²	17	67 Å²	67	12%	0.119	33%	0.328	C	S	.	.	B	Isolated β-bridge	trans	-70	160.7	173.8	42	0	0	0	0	112	C719 D762 K763 A764	C719-S760 CarbonylContact O-C 3.51Å; C719-S760 VanDerWaalsContact O-CA 3.26Å; C719-S760 WeakPolarHBondContact O-CA 3.43Å; S760-D762 VanDerWaalsContact C-N 3.3Å; S760-D762 WeakPolarHBondContact CB-OD1 3.38Å; S760-D762 PolarHBondContact O-N 2.79Å; S760-D762 PolarHBondContact OG-OD1 3.39Å; S760-K763 PolarHBondContact O-N 3.14Å; S760-K763 VanDerWaalsContact O-N 3.1Å; S760-A764 WeakPolarHBondContact O-CB 3.32Å; S760-A764 PolarHBondContact O-N 3.28Å
761	L	93.6	Very high	93.2	Very high	0 Å²	0	64.4 Å²	64.4	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-56	-42.6	-178.5	-71.2	166	0	0	0	112.9	V693 L695 T715 I717 C719 I721 L724 K763 A764 L765 L768	V693-L761 HydrophobicContact CG1-CD1 4Å; L695-L761 HydrophobicContact CD1-CD1 4.07Å; L695-L761 HydrophobicContact CD1-CD2 3.79Å; T715-L761 HydrophobicContact CG2-CD1 3.37Å; I717-L761 PolarHBondContact O-N 2.72Å; C719-L761 HydrophobicContact CB-CD1 4.27Å; C719-L761 PolarHBondContact O-N 3Å; I721-L761 HydrophobicContact CD1-CD2 3.53Å; I721-L761 HydrophobicContact CG1-CD2 4.49Å; L724-L761 HydrophobicContact CD1-CD1 4.4Å; L724-L761 HydrophobicContact CD1-CD2 3.86Å; L761-K763 PolarHBondContact O-N 3.42Å; L761-K763 VanDerWaalsContact O-N 3.15Å; L761-A764 PolarHBondContact O-N 2.95Å; L761-A764 VanDerWaalsContact O-N 3.1Å; L761-L765 HydrophobicContact CD2-CD1 4.18Å; L761-L765 PolarHBondContact O-N 3.06Å; L761-L768 HydrophobicContact CB-CD1 4.4Å; L761-L768 HydrophobicContact CB-CD2 3.84Å
762	D	91	Very high	93.3	Very high	82 Å²	82	64.3 Å²	64.3	44%	0.439	31%	0.314	S	S	.	.	H	α-helix	trans	-59.1	-23.3	178.1	70.8	-31	0	0	0	114.6	I717 S760	I717-D762 HydrophobicContact CG2-CB 3.84Å; S760-D762 VanDerWaalsContact C-N 3.3Å; S760-D762 WeakPolarHBondContact CB-OD1 3.38Å; S760-D762 PolarHBondContact O-N 2.79Å; S760-D762 PolarHBondContact OG-OD1 3.39Å
763	K	92	Very high	93.4	Very high	154 Å²	154	60.5 Å²	60.5	67%	0.67	30%	0.296	S	S	*	.	H	α-helix	trans	-101.2	-22.2	178	-70.3	173.8	-170.7	171.4	0	112.5	V759 S760 L761	V759-K763 HydrophobicContact CB-CB 4.1Å; V759-K763 HydrophobicContact CG2-CB 4.45Å; S760-K763 PolarHBondContact O-N 3.14Å; S760-K763 VanDerWaalsContact O-N 3.1Å; L761-K763 PolarHBondContact O-N 3.42Å; L761-K763 VanDerWaalsContact O-N 3.15Å
764	A	90.3	Very high	93.5	Very high	23 Å²	23	54.1 Å²	54.1	19%	0.19	27%	0.272	C	S	.	.	H	α-helix	trans	-83.7	-40.3	-176.9	0	0	0	0	0	112.1	I721 I754 V759 S760 L761	I721-A764 HydrophobicContact CD1-CB 3.79Å; I721-A764 HydrophobicContact CG1-CB 3.52Å; I754-A764 HydrophobicContact CG2-CB 4.21Å; V759-A764 HydrophobicContact CG2-CB 3.93Å; S760-A764 WeakPolarHBondContact O-CB 3.32Å; S760-A764 PolarHBondContact O-N 3.28Å; L761-A764 PolarHBondContact O-N 2.95Å; L761-A764 VanDerWaalsContact O-N 3.1Å
765	L	90.9	Very high	93.6	Very high	5 Å²	5	53.8 Å²	53.8	3%	0.026	27%	0.271	C	S	.	.	S	Bend	trans	-104.6	140.3	178.8	-74.5	74.8	0	0	0	109.3	I721 E744 I754 L761 L768 D772 I774	I721-L765 HydrophobicContact CD1-CD1 4.04Å; E744-L765 HydrophobicContact CG-CD2 4.05Å; E744-L765 HydrophobicContact CG-CG 4.1Å; E744-L765 WeakPolarHBondContact OE2-CA 3.38Å; I754-L765 HydrophobicContact CD1-CD1 4.05Å; L761-L765 HydrophobicContact CD2-CD1 4.18Å; L761-L765 PolarHBondContact O-N 3.06Å; L765-L768 HydrophobicContact CB-CD1 4.26Å; L765-L768 HydrophobicContact CD2-CD1 3.99Å; L765-D772 HydrophobicContact CD2-CB 4.13Å; L765-I774 HydrophobicContact CD1-CD1 4.3Å; L765-I774 HydrophobicContact CD2-CG1 4.32Å
766	D	86.3	Confident	94	Very high	119 Å²	119	45.2 Å²	45.2	64%	0.636	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.6	129.8	176.4	-162.7	13.8	0	0	0	109.7	E744 L768	E744-D766 PolarHBondContact OE2-N 3.44Å; D766-L768 PolarHBondContact O-N 2.86Å
767	E	89.3	Confident	94.1	Very high	155 Å²	155	41.3 Å²	41.3	72%	0.724	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.3	52.7	-175	-58.6	-175.5	159.9	0	0	113.9	M769	E767-M769 WeakPolarHBondContact O-CG 3.04Å; E767-M769 PolarHBondContact O-N 2.57Å
768	L	92.9	Very high	94.2	Very high	37 Å²	37	43.3 Å²	43.3	19%	0.194	22%	0.219	C	C	.	.			trans	-47.1	124	178.7	179.7	71.4	0	0	0	112.6	V693 L695 I717 L761 L765 D766 D772	V693-L768 HydrophobicContact CG1-CD1 4.46Å; V693-L768 HydrophobicContact CG1-CD2 4.25Å; V693-L768 HydrophobicContact CG2-CD1 4.19Å; V693-L768 HydrophobicContact CG2-CG 4.27Å; L695-L768 HydrophobicContact CD2-CD1 4.08Å; I717-L768 HydrophobicContact CB-CD2 4.43Å; I717-L768 HydrophobicContact CG1-CD2 4.24Å; I717-L768 HydrophobicContact CG2-CD2 3.83Å; L761-L768 HydrophobicContact CB-CD1 4.4Å; L761-L768 HydrophobicContact CB-CD2 3.84Å; L765-L768 HydrophobicContact CB-CD1 4.26Å; L765-L768 HydrophobicContact CD2-CD1 3.99Å; D766-L768 PolarHBondContact O-N 2.86Å; L768-D772 WeakPolarHBondContact CA-OD2 3.36Å
769	M	93.8	Very high	94.2	Very high	89 Å²	89	43.8 Å²	43.8	44%	0.438	22%	0.221	S	C	.	.			trans	-141.8	158.9	179	-72.3	-177.9	75.4	0	0	112	E767 G771 D772	E767-M769 WeakPolarHBondContact O-CG 3.04Å; E767-M769 PolarHBondContact O-N 2.57Å; M769-G771 PolarHBondContact O-N 3.45Å; M769-D772 PolarHBondContact N-OD2 2.89Å; M769-D772 WeakPolarHBondContact O-CB 3.48Å; M769-D772 PolarHBondContact O-N 3.36Å
770	D	96.1	Very high	94.1	Very high	29 Å²	29	43.7 Å²	43.7	16%	0.155	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.5	137.3	166.7	-64.7	-59.9	0	0	0	111	W631 R636 P643 F687 V693 M694	W631-D770 HydrophobicContact CZ3-CB 4.13Å; R636-D770 PolarHBondContact NH2-O 3.34Å; P643-D770 CarbonylContact O-C 3.53Å; F687-D770 WeakPolarHBondContact CZ-OD1 3.47Å; V693-D770 WeakPolarHBondContact CA-OD1 3.45Å; M694-D770 PolarHBondContact N-OD1 3.34Å
771	G	95.8	Very high	93.9	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	88.8	5.4	-177.9	0	0	0	0	0	114.9	R642 P643 M694 M769	R642-G771 WeakPolarHBondContact CD-O 3.45Å; R642-G771 PolarHBondContact NH1-O 3.05Å; R642-G771 VanDerWaalsContact NH1-O 3.08Å; P643-G771 WeakPolarHBondContact O-CA 3.4Å; M694-G771 PolarHBondContact O-N 2.89Å; M769-G771 PolarHBondContact O-N 3.45Å
772	D	96.8	Very high	93.7	Very high	3 Å²	3	54.7 Å²	54.7	2%	0.016	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	150	171.8	-71	-7.1	0	0	0	111.5	R636 L695 F696 L765 L768 M769	R636-D772 IonicContact CZ-OD1 3.14Å; R636-D772 VanDerWaalsContact CZ-OD1 3.23Å; R636-D772 IonicContact NH1-OD1 3.85Å; R636-D772 PolarHBondContact NH1-OD1 2.93Å; R636-D772 IonicContact NH2-OD1 2.68Å; R636-D772 PolarHBondContact NH2-OD1 2.78Å; L695-D772 HydrophobicContact CD2-CB 3.8Å; F696-D772 PolarHBondContact N-O 2.85Å; L765-D772 HydrophobicContact CD2-CB 4.13Å; L768-D772 WeakPolarHBondContact CA-OD2 3.36Å; M769-D772 PolarHBondContact N-OD2 2.89Å; M769-D772 WeakPolarHBondContact O-CB 3.48Å; M769-D772 PolarHBondContact O-N 3.36Å
773	I	98.1	Very high	93.7	Very high	1 Å²	1	51.7 Å²	51.7	1%	0.005	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	123.4	-173.9	-59.8	168.2	0	0	0	108.9	M591 F696 K698 E745 V775	M591-I773 HydrophobicContact CE-CD1 3.45Å; M591-I773 VanDerWaalsContact CE-CD1 3.45Å; M591-I773 HydrophobicContact CE-CG1 3.42Å; M591-I773 VanDerWaalsContact CE-CG1 3.42Å; F696-I773 HydrophobicContact CB-CG1 3.96Å; F696-I773 WeakPolarHBondContact O-CA 3.38Å; K698-I773 HydrophobicContact CD-CG2 3.89Å; K698-I773 HydrophobicContact CG-CG2 3.97Å; E745-I773 HydrophobicContact CB-CB 4.03Å; E745-I773 HydrophobicContact CB-CG2 4.09Å; E745-I773 PolarHBondContact N-O 2.99Å; E745-I773 WeakPolarHBondContact OE2-CD1 3.37Å; I773-V775 HydrophobicContact CG2-CG2 3.91Å
774	I	98.1	Very high	93.6	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	122	166.7	-59.9	177.7	0	0	0	108.8	L695 F696 L697 K698 I721 M728 L742 Y743 I754 L765	L695-I774 HydrophobicContact CD1-CD1 3.98Å; F696-I774 PolarHBondContact O-N 2.86Å; L697-I774 WeakPolarHBondContact CA-O 3.27Å; L697-I774 HydrophobicContact CD2-CB 4.2Å; K698-I774 PolarHBondContact N-O 3.16Å; I721-I774 HydrophobicContact CD1-CD1 4.33Å; M728-I774 HydrophobicContact CE-CB 4.34Å; M728-I774 HydrophobicContact CE-CD1 4.22Å; M728-I774 HydrophobicContact CE-CG2 3.79Å; L742-I774 HydrophobicContact CB-CG2 4.33Å; L742-I774 HydrophobicContact CD2-CG2 4.11Å; L742-I774 HydrophobicContact CG-CG2 4.13Å; Y743-I774 CarbonylContact O-C 3.56Å; Y743-I774 WeakPolarHBondContact O-CA 3.43Å; I754-I774 HydrophobicContact CD1-CD1 4.46Å; I754-I774 HydrophobicContact CD1-CG2 4.46Å; L765-I774 HydrophobicContact CD1-CD1 4.3Å; L765-I774 HydrophobicContact CD2-CG1 4.32Å
775	V	98.3	Very high	93.5	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	122.2	174.4	-169.7	0	0	0	0	108.7	K698 L707 L742 Y743 E745 I773 A791 F795	K698-V775 HydrophobicContact CB-CG1 4.26Å; K698-V775 HydrophobicContact CB-CG2 4.17Å; K698-V775 HydrophobicContact CD-CG2 4.42Å; K698-V775 CarbonylContact O-C 3.53Å; K698-V775 WeakPolarHBondContact O-CA 3.25Å; L707-V775 HydrophobicContact CD2-CG1 4.03Å; L742-V775 CarbonylContact C-O 3.48Å; Y743-V775 PolarHBondContact N-O 2.97Å; Y743-V775 PolarHBondContact O-N 3.29Å; E745-V775 HydrophobicContact CB-CG2 3.91Å; I773-V775 HydrophobicContact CG2-CG2 3.91Å; V775-A791 HydrophobicContact CG1-CB 3.76Å; V775-F795 HydrophobicContact CG1-CE2 4.3Å; V775-F795 HydrophobicContact CG2-CE2 3.94Å; V775-F795 HydrophobicContact CG2-CZ 4.22Å
776	F	98	Very high	93.5	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	152.9	-178.6	67.7	-83.5	0	0	0	111.8	L697 K698 M699 Y700 C710 M728 A732 F734 L740 I741 L742	L697-F776 HydrophobicContact CB-CE1 4.23Å; K698-F776 VanDerWaalsContact O-CD1 3.24Å; K698-F776 WeakPolarHBondContact O-CD1 3.44Å; K698-F776 PolarHBondContact O-N 2.86Å; M699-F776 CarbonylContact C-O 3.59Å; M699-F776 VanDerWaalsContact CA-O 3.3Å; M699-F776 WeakPolarHBondContact CA-O 3.33Å; M699-F776 HydrophobicContact CB-CD2 4.49Å; M699-F776 HydrophobicContact CB-CE1 4.11Å; M699-F776 HydrophobicContact CB-CE2 3.91Å; M699-F776 HydrophobicContact CB-CZ 3.7Å; M699-F776 HydrophobicContact CG-CD2 4.25Å; M699-F776 HydrophobicContact CG-CE2 3.78Å; M699-F776 HydrophobicContact CG-CZ 4.1Å; Y700-F776 PolarHBondContact N-O 2.88Å; C710-F776 HydrophobicContact CB-CE1 4.26Å; C710-F776 HydrophobicContact CB-CZ 4.38Å; M728-F776 HydrophobicContact CB-CD1 4.3Å; M728-F776 HydrophobicContact CB-CD2 4.1Å; M728-F776 HydrophobicContact CB-CE1 4.1Å; M728-F776 HydrophobicContact CB-CE2 3.88Å; M728-F776 HydrophobicContact CB-CG 4.3Å; M728-F776 HydrophobicContact CB-CZ 3.87Å; M728-F776 HydrophobicContact CG-CD1 4.12Å; M728-F776 HydrophobicContact CG-CE1 4.12Å; M728-F776 HydrophobicContact CG-CG 4.42Å; M728-F776 HydrophobicContact CG-CZ 4.39Å; M728-F776 WeakPolarHBondContact O-CE2 3.19Å; M728-F776 WeakPolarHBondContact O-CZ 3.45Å; M728-F776 HydrophobicContact SD-CB 4.24Å; M728-F776 HydrophobicContact SD-CD1 4.1Å; M728-F776 HydrophobicContact SD-CG 4.11Å; A732-F776 HydrophobicContact CB-CE2 3.69Å; A732-F776 HydrophobicContact CB-CZ 3.96Å; F734-F776 HydrophobicContact CE2-CE2 4.22Å; L740-F776 HydrophobicContact CD1-CD2 3.99Å; L740-F776 HydrophobicContact CD2-CD2 4.36Å; I741-F776 CarbonylContact O-C 3.44Å; I741-F776 VanDerWaalsContact O-CA 3.28Å; I741-F776 WeakPolarHBondContact O-CA 3.44Å; L742-F776 HydrophobicContact CD1-CB 4.18Å; L742-F776 HydrophobicContact CG-CB 4.08Å
777	Q	97.3	Very high	93.6	Very high	0 Å²	0	57 Å²	57	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144	160.3	175.5	63.4	179.3	89.9	0	0	110.3	Y700 L740 I741 Y743 N783 P789 T790	Y700-Q777 HydrophobicContact CD1-CB 4.39Å; Y700-Q777 VanDerWaalsContact O-CB 3.25Å; Y700-Q777 WeakPolarHBondContact O-CB 3.49Å; L740-Q777 WeakPolarHBondContact CA-O 3.4Å; I741-Q777 HydrophobicContact CB-CG 3.9Å; I741-Q777 HydrophobicContact CD1-CG 4.4Å; I741-Q777 HydrophobicContact CG1-CG 4.4Å; I741-Q777 PolarHBondContact N-O 2.89Å; I741-Q777 PolarHBondContact O-N 3.4Å; Y743-Q777 HydrophobicContact CE2-CG 4.48Å; Q777-N783 PolarHBondContact NE2-ND2 3.18Å; Q777-P789 PolarHBondContact NE2-O 3.31Å; Q777-T790 VanDerWaalsContact OE1-CA 3.24Å
778	K	95.9	Very high	93.8	Very high	85 Å²	85	50.4 Å²	50.4	37%	0.37	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66	132.3	172.3	-165.1	-175.7	-179.7	-150.7	0	110.3	F734 T738 D780 N783	F734-K778 HydrophobicContact CZ-CB 4.49Å; T738-K778 HydrophobicContact CG2-CD 4.48Å; T738-K778 HydrophobicContact CG2-CG 3.9Å; K778-D780 HydrophobicContact CD-CB 4.28Å; K778-D780 WeakPolarHBondContact CE-OD2 3.5Å; K778-D780 HydrophobicContact CG-CB 4.33Å; K778-D780 IonicContact NZ-OD2 3.72Å; K778-D780 PolarHBondContact NZ-OD2 2.98Å; K778-D780 PolarHBondContact O-N 3.45Å; K778-N783 PolarHBondContact O-ND2 3.29Å
779	D	95.3	Very high	93.8	Very high	82 Å²	82	50 Å²	50	44%	0.439	27%	0.27	S	S	.	.			trans	-82.3	92.9	171.3	-170	17.6	0	0	0	109.1	S739 I741	S739-D779 PolarHBondContact O-N 3.05Å; S739-D779 PolarHBondContact OG-OD2 3.24Å; I741-D779 HydrophobicContact CD1-CB 4.2Å; I741-D779 HydrophobicContact CG1-CB 3.7Å
780	D	92	Very high	94	Very high	36 Å²	36	47.1 Å²	47.1	19%	0.193	26%	0.258	C	S	.	.			trans	-133.8	131.8	-173.5	-158.7	-52.9	0	0	0	110.1	K778 E782 N783	K778-D780 HydrophobicContact CD-CB 4.28Å; K778-D780 WeakPolarHBondContact CE-OD2 3.5Å; K778-D780 HydrophobicContact CG-CB 4.33Å; K778-D780 IonicContact NZ-OD2 3.72Å; K778-D780 PolarHBondContact NZ-OD2 2.98Å; K778-D780 PolarHBondContact O-N 3.45Å; D780-E782 PolarHBondContact O-N 2.95Å; D780-E782 VanDerWaalsContact O-N 3.13Å; D780-E782 WeakPolarHBondContact OD1-CB 3.45Å; D780-E782 PolarHBondContact OD1-N 2.61Å; D780-N783 PolarHBondContact N-ND2 3.49Å; D780-N783 WeakPolarHBondContact O-CB 3.45Å; D780-N783 PolarHBondContact O-N 3.26Å; D780-N783 PolarHBondContact O-ND2 2.73Å; D780-N783 VanDerWaalsContact O-ND2 3.16Å
781	P	89.7	Confident	93.9	Very high	111 Å²	111	45.8 Å²	45.8	72%	0.721	25%	0.251	S	S	*	.	G	3₁₀ helix	trans	-57.1	-23.5	174.3	-25.6	34.8	0	0	0	114.1	N783 D784	P781-N783 PolarHBondContact O-N 3.24Å; P781-D784 PolarHBondContact O-N 3.48Å
782	E	90.1	Very high	93.9	Very high	137 Å²	137	50.4 Å²	50.4	64%	0.64	27%	0.271	S	S	*	.	G	3₁₀ helix	trans	-62.4	-21.2	174.8	-69.6	-173.4	-173.8	0	0	112.8	D780 D784 S785	D780-E782 PolarHBondContact O-N 2.95Å; D780-E782 VanDerWaalsContact O-N 3.13Å; D780-E782 WeakPolarHBondContact OD1-CB 3.45Å; D780-E782 PolarHBondContact OD1-N 2.61Å; E782-D784 PolarHBondContact O-N 2.92Å; E782-S785 WeakPolarHBondContact O-CB 3.48Å; E782-S785 PolarHBondContact O-N 3.45Å; E782-S785 VanDerWaalsContact O-N 3.09Å; E782-S785 PolarHBondContact O-OG 3.02Å
783	N	90.8	Very high	93.8	Very high	20 Å²	20	51.6 Å²	51.6	11%	0.107	28%	0.277	C	S	.	.	G	3₁₀ helix	trans	-59.1	-35.3	179.5	-64.7	-17.5	0	0	0	112.4	P702 Q777 K778 D780 P781 S785 S786 P789	P702-N783 HydrophobicContact CB-CB 4.41Å; P702-N783 HydrophobicContact CG-CB 4.36Å; P702-N783 WeakPolarHBondContact CG-OD1 3.18Å; Q777-N783 PolarHBondContact NE2-ND2 3.18Å; K778-N783 PolarHBondContact O-ND2 3.29Å; D780-N783 PolarHBondContact N-ND2 3.49Å; D780-N783 WeakPolarHBondContact O-CB 3.45Å; D780-N783 PolarHBondContact O-N 3.26Å; D780-N783 PolarHBondContact O-ND2 2.73Å; D780-N783 VanDerWaalsContact O-ND2 3.16Å; P781-N783 PolarHBondContact O-N 3.24Å; N783-S785 PolarHBondContact O-N 3.03Å; N783-S785 VanDerWaalsContact O-N 3.17Å; N783-S786 WeakPolarHBondContact O-CB 3.41Å; N783-S786 PolarHBondContact O-N 3.04Å; N783-P789 HydrophobicContact CB-CB 4.5Å; N783-P789 WeakPolarHBondContact O-CA 3.27Å; N783-P789 WeakPolarHBondContact O-CB 3.48Å
784	D	89.3	Confident	93.6	Very high	134 Å²	134	52.7 Å²	52.7	72%	0.717	28%	0.281	S	S	*	.	G	3₁₀ helix	trans	-66.3	-16.9	-179.3	-68.7	-25	0	0	0	113	P781 E782 S786	P781-D784 PolarHBondContact O-N 3.48Å; E782-D784 PolarHBondContact O-N 2.92Å; D784-S786 VanDerWaalsContact C-N 3.34Å
785	S	88.9	Confident	93.4	Very high	109 Å²	109	52.7 Å²	52.7	76%	0.762	28%	0.281	S	S	*	.	G	3₁₀ helix	trans	-81.8	-13.8	174.7	74.2	0	0	0	0	113.4	E782 N783	E782-S785 WeakPolarHBondContact O-CB 3.48Å; E782-S785 PolarHBondContact O-N 3.45Å; E782-S785 VanDerWaalsContact O-N 3.09Å; E782-S785 PolarHBondContact O-OG 3.02Å; N783-S785 PolarHBondContact O-N 3.03Å; N783-S785 VanDerWaalsContact O-N 3.17Å
786	S	90.9	Very high	93.2	Very high	23 Å²	23	57.6 Å²	57.6	16%	0.161	30%	0.3	C	S	.	.	S	Bend	trans	-80.8	152.4	174.9	-172.5	0	0	0	0	111.6	P702 N783 D784 L788	P702-S786 VanDerWaalsContact O-CB 3.32Å; P702-S786 WeakPolarHBondContact O-CB 3.06Å; P702-S786 PolarHBondContact O-OG 3.06Å; N783-S786 WeakPolarHBondContact O-CB 3.41Å; N783-S786 PolarHBondContact O-N 3.04Å; D784-S786 VanDerWaalsContact C-N 3.34Å; S786-L788 PolarHBondContact O-N 2.97Å; S786-L788 PolarHBondContact OG-N 2.95Å
787	E	89.1	Confident	92.8	Very high	145 Å²	145	60.1 Å²	60.1	68%	0.678	31%	0.313	S	S	*	.	S	Bend	trans	-62.7	-30.9	172.4	-176.6	178.5	-167.4	0	0	112.3	R705	R705-E787 IonicContact NH1-OE2 3.89Å
788	L	92.5	Very high	92.4	Very high	18 Å²	18	62.8 Å²	62.8	9%	0.094	33%	0.327	C	S	.	.	S	Bend	trans	-126.4	80.7	179.8	-61.2	173	0	0	0	108.7	Y700 R705 S786 T790 D793 Y794 D797	Y700-L788 VanDerWaalsContact OH-CB 3.3Å; Y700-L788 WeakPolarHBondContact OH-CB 3.29Å; Y700-L788 PolarHBondContact OH-O 2.84Å; R705-L788 HydrophobicContact CG-CB 4.49Å; S786-L788 PolarHBondContact O-N 2.97Å; S786-L788 PolarHBondContact OG-N 2.95Å; L788-T790 PolarHBondContact O-N 3.25Å; L788-D793 HydrophobicContact CD2-CB 4.13Å; L788-Y794 HydrophobicContact CD1-CD2 4.11Å; L788-D797 HydrophobicContact CD1-CB 4.21Å; L788-D797 HydrophobicContact CD2-CB 3.94Å
789	P	94	Very high	92.1	Very high	28 Å²	28	62.2 Å²	62.2	18%	0.182	32%	0.323	C	S	.	.			trans	-62.1	-29.3	-173.1	-24.9	35.4	0	0	0	113.6	P702 Q777 N783	P702-P789 WeakPolarHBondContact CG-O 3.5Å; Q777-P789 PolarHBondContact NE2-O 3.31Å; N783-P789 HydrophobicContact CB-CB 4.5Å; N783-P789 WeakPolarHBondContact O-CA 3.27Å; N783-P789 WeakPolarHBondContact O-CB 3.48Å
790	T	96.5	Very high	91.8	Very high	29 Å²	29	59.1 Å²	59.1	18%	0.178	31%	0.306	C	S	.	.	S	Bend	trans	-125.1	155.2	-176	72.1	0	0	0	0	113.4	Q777 L788 K792 D793 Y794	Q777-T790 VanDerWaalsContact OE1-CA 3.24Å; L788-T790 PolarHBondContact O-N 3.25Å; T790-K792 PolarHBondContact O-N 3.14Å; T790-D793 PolarHBondContact N-OD2 3.44Å; T790-D793 WeakPolarHBondContact O-CB 3.41Å; T790-D793 PolarHBondContact O-N 2.52Å; T790-D793 PolarHBondContact OG1-N 2.97Å; T790-D793 VanDerWaalsContact OG1-N 3.12Å; T790-D793 PolarHBondContact OG1-OD2 3.12Å; T790-Y794 PolarHBondContact O-N 3.46Å
791	A	95.6	Very high	91.7	Very high	0 Å²	0	63.8 Å²	63.8	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-57.4	-34	171.2	0	0	0	0	0	111.7	Y700 Y743 V775 Y794 F795	Y700-A791 HydrophobicContact CD1-CB 3.85Å; Y700-A791 VanDerWaalsContact CD1-N 3.29Å; Y700-A791 HydrophobicContact CG-CB 3.83Å; Y743-A791 HydrophobicContact CD2-CB 4.04Å; Y743-A791 HydrophobicContact CE2-CB 4.27Å; V775-A791 HydrophobicContact CG1-CB 3.76Å; A791-Y794 WeakPolarHBondContact O-CB 3.4Å; A791-Y794 PolarHBondContact O-N 3.49Å; A791-F795 WeakPolarHBondContact O-CD2 3.45Å; A791-F795 PolarHBondContact O-N 2.79Å
792	K	95.5	Very high	91.8	Very high	97 Å²	97	59.2 Å²	59.2	42%	0.422	29%	0.291	S	S	.	.	H	α-helix	trans	-62.6	-41.8	173.9	-178.5	171.7	-172.1	160	0	112.1	Y743 T751 T790 Y794 R796	Y743-K792 HydrophobicContact CD1-CB 4.34Å; Y743-K792 HydrophobicContact CE1-CB 3.96Å; T751-K792 HydrophobicContact CG2-CB 4.33Å; T751-K792 WeakPolarHBondContact O-CD 3.23Å; T790-K792 PolarHBondContact O-N 3.14Å; K792-Y794 VanDerWaalsContact C-N 3.33Å; K792-R796 VanDerWaalsContact O-CB 3.29Å; K792-R796 WeakPolarHBondContact O-CB 3.3Å; K792-R796 PolarHBondContact O-N 3.45Å; K792-R796 VanDerWaalsContact O-N 3.11Å
793	D	93.6	Very high	91.9	Very high	29 Å²	29	57 Å²	57	16%	0.155	28%	0.283	C	S	.	.	H	α-helix	trans	-67.3	-38	175.2	-60.7	-49.9	0	0	0	111.1	L788 T790 R796 D797	L788-D793 HydrophobicContact CD2-CB 4.13Å; T790-D793 PolarHBondContact N-OD2 3.44Å; T790-D793 WeakPolarHBondContact O-CB 3.41Å; T790-D793 PolarHBondContact O-N 2.52Å; T790-D793 PolarHBondContact OG1-N 2.97Å; T790-D793 VanDerWaalsContact OG1-N 3.12Å; T790-D793 PolarHBondContact OG1-OD2 3.12Å; D793-R796 PolarHBondContact O-N 2.94Å; D793-R796 IonicContact OD1-CZ 2.8Å; D793-R796 VanDerWaalsContact OD1-CZ 3.22Å; D793-R796 IonicContact OD1-NH1 3.23Å; D793-R796 PolarHBondContact OD1-NH1 2.86Å; D793-R796 IonicContact OD1-NH2 3.93Å; D793-R796 PolarHBondContact OD1-NH2 3.4Å; D793-D797 PolarHBondContact O-N 3.24Å
794	Y	94.9	Very high	92.1	Very high	23 Å²	23	56 Å²	56	9%	0.09	28%	0.278	C	S	.	.	H	α-helix	trans	-59.3	-54.5	175.3	178.5	-93	0	0	0	113	Q587 Y700 R705 L707 L788 T790 A791 K792 R796 D797 L798	Q587-Y794 PolarHBondContact O-OH 2.99Å; Q587-Y794 PolarHBondContact OE1-OH 3.45Å; Y700-Y794 HydrophobicContact CD2-CD2 4.43Å; Y700-Y794 HydrophobicContact CD2-CG 4.19Å; Y700-Y794 HydrophobicContact CE2-CD1 4.37Å; Y700-Y794 AromaticContact CE2-CD2 3.55Å; Y700-Y794 HydrophobicContact CE2-CD2 3.55Å; Y700-Y794 HydrophobicContact CE2-CE2 4.28Å; Y700-Y794 AromaticContact CE2-CG 3.58Å; Y700-Y794 HydrophobicContact CE2-CG 3.58Å; R705-Y794 VanDerWaalsContact O-CE2 3.25Å; R705-Y794 WeakPolarHBondContact O-CE2 3.45Å; L707-Y794 HydrophobicContact CD1-CD1 4.18Å; L707-Y794 HydrophobicContact CD1-CE1 3.57Å; L707-Y794 HydrophobicContact CG-CD1 4.26Å; L707-Y794 HydrophobicContact CG-CE1 3.78Å; L788-Y794 HydrophobicContact CD1-CD2 4.11Å; T790-Y794 PolarHBondContact O-N 3.46Å; A791-Y794 WeakPolarHBondContact O-CB 3.4Å; A791-Y794 PolarHBondContact O-N 3.49Å; K792-Y794 VanDerWaalsContact C-N 3.33Å; Y794-R796 VanDerWaalsContact C-N 3.26Å; Y794-R796 PolarHBondContact O-N 2.97Å; Y794-D797 PolarHBondContact O-N 3.33Å; Y794-D797 VanDerWaalsContact O-N 3.16Å; Y794-L798 WeakPolarHBondContact O-CB 3.35Å; Y794-L798 PolarHBondContact O-N 3.38Å
795	F	94.4	Very high	92.3	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-65.8	-31.4	178.7	-72.6	-63.3	0	0	0	112.8	N589 L707 E745 T751 V775 A791 L798 Y799	N589-F795 WeakPolarHBondContact ND2-CD1 3.18Å; N589-F795 WeakPolarHBondContact ND2-CE1 3.31Å; L707-F795 HydrophobicContact CD1-CE1 3.67Å; L707-F795 HydrophobicContact CD1-CZ 3.56Å; L707-F795 HydrophobicContact CD2-CZ 4.26Å; E745-F795 HydrophobicContact CG-CE2 4.38Å; E745-F795 HydrophobicContact CG-CZ 4.17Å; T751-F795 HydrophobicContact CG2-CD2 4.05Å; T751-F795 HydrophobicContact CG2-CE2 4.5Å; T751-F795 WeakPolarHBondContact OG1-CD2 3.31Å; V775-F795 HydrophobicContact CG1-CE2 4.3Å; V775-F795 HydrophobicContact CG2-CE2 3.94Å; V775-F795 HydrophobicContact CG2-CZ 4.22Å; A791-F795 WeakPolarHBondContact O-CD2 3.45Å; A791-F795 PolarHBondContact O-N 2.79Å; F795-L798 HydrophobicContact CD1-CD2 4.44Å; F795-Y799 WeakPolarHBondContact O-CB 3.4Å; F795-Y799 PolarHBondContact O-N 3Å
796	R	92.3	Very high	92.6	Very high	103 Å²	103	46.6 Å²	46.6	39%	0.389	22%	0.219	S	C	.	.	H	α-helix	trans	-63.6	-48.8	172.1	-175	174.1	70.6	-147.3	-4.2	110.3	K792 D793 Y794 Y799 H800	K792-R796 VanDerWaalsContact O-CB 3.29Å; K792-R796 WeakPolarHBondContact O-CB 3.3Å; K792-R796 PolarHBondContact O-N 3.45Å; K792-R796 VanDerWaalsContact O-N 3.11Å; D793-R796 PolarHBondContact O-N 2.94Å; D793-R796 IonicContact OD1-CZ 2.8Å; D793-R796 VanDerWaalsContact OD1-CZ 3.22Å; D793-R796 IonicContact OD1-NH1 3.23Å; D793-R796 PolarHBondContact OD1-NH1 2.86Å; D793-R796 IonicContact OD1-NH2 3.93Å; D793-R796 PolarHBondContact OD1-NH2 3.4Å; Y794-R796 VanDerWaalsContact C-N 3.26Å; Y794-R796 PolarHBondContact O-N 2.97Å; R796-Y799 PolarHBondContact O-N 2.81Å; R796-H800 PolarHBondContact O-CD2 3.43Å; R796-H800 PolarHBondContact O-N 3.38Å
797	D	89.8	Confident	92.8	Very high	53 Å²	53	46 Å²	46	28%	0.283	22%	0.215	S	C	.	.	H	α-helix	trans	-59	-49.9	176.9	-175.7	68.6	0	0	0	111.3	L788 D793 Y794 Y799 H800 R801	L788-D797 HydrophobicContact CD1-CB 4.21Å; L788-D797 HydrophobicContact CD2-CB 3.94Å; D793-D797 PolarHBondContact O-N 3.24Å; Y794-D797 PolarHBondContact O-N 3.33Å; Y794-D797 VanDerWaalsContact O-N 3.16Å; D797-Y799 VanDerWaalsContact C-N 3.3Å; D797-Y799 PolarHBondContact O-N 3.12Å; D797-H800 PolarHBondContact O-N 3.36Å; D797-H800 VanDerWaalsContact O-N 3.12Å; D797-R801 VanDerWaalsContact O-CB 3.26Å; D797-R801 WeakPolarHBondContact O-CB 3.42Å; D797-R801 PolarHBondContact O-N 2.68Å; D797-R801 IonicContact OD2-CZ 2.87Å; D797-R801 VanDerWaalsContact OD2-CZ 3.25Å; D797-R801 IonicContact OD2-NE 2.78Å; D797-R801 PolarHBondContact OD2-NE 3.38Å; D797-R801 VanDerWaalsContact OD2-NE 3.09Å; D797-R801 IonicContact OD2-NH2 3.52Å; D797-R801 PolarHBondContact OD2-NH2 3.36Å
798	L	89.8	Confident	93	Very high	57 Å²	57	39.8 Å²	39.8	30%	0.298	19%	0.186	S	C	.	.	H	α-helix	trans	-54.6	-43.6	179.6	-174.8	72.5	0	0	0	112.6	Y794 F795	Y794-L798 WeakPolarHBondContact O-CB 3.35Å; Y794-L798 PolarHBondContact O-N 3.38Å; F795-L798 HydrophobicContact CD1-CD2 4.44Å
799	Y	89.7	Confident	92.9	Very high	72 Å²	72	43.6 Å²	43.6	28%	0.282	20%	0.202	S	C	.	.	H	α-helix	trans	-69.8	-35.5	-180	176.1	-87.9	0	0	0	113.3	P748 N749 F795 R796 D797 N823 R870	P748-Y799 HydrophobicContact CB-CD2 3.73Å; P748-Y799 HydrophobicContact CB-CE2 4.24Å; N749-Y799 HydrophobicContact CB-CD1 3.6Å; N749-Y799 HydrophobicContact CB-CD2 3.75Å; N749-Y799 HydrophobicContact CB-CE1 4.16Å; N749-Y799 HydrophobicContact CB-CE2 4.28Å; N749-Y799 HydrophobicContact CB-CG 3.37Å; F795-Y799 WeakPolarHBondContact O-CB 3.4Å; F795-Y799 PolarHBondContact O-N 3Å; R796-Y799 PolarHBondContact O-N 2.81Å; D797-Y799 VanDerWaalsContact C-N 3.3Å; D797-Y799 PolarHBondContact O-N 3.12Å; Y799-N823 PolarHBondContact O-ND2 2.86Å; Y799-R870 PolarHBondContact OH-NH2 3.33Å
800	H	89.3	Confident	92.6	Very high	17 Å²	17	47.1 Å²	47.1	8%	0.079	22%	0.223	C	C	.	.	H	α-helix	trans	-83	-25.9	178	-62.9	-56.4	0	0	0	111.7	N749 R796 D797 V802 S822 N823 R824	N749-H800 PolarHBondContact OD1-NE2 3.22Å; R796-H800 PolarHBondContact O-CD2 3.43Å; R796-H800 PolarHBondContact O-N 3.38Å; D797-H800 PolarHBondContact O-N 3.36Å; D797-H800 VanDerWaalsContact O-N 3.12Å; H800-V802 PolarHBondContact O-N 3.16Å; H800-S822 WeakPolarHBondContact CB-OG 3.4Å; H800-S822 CarbonylContact O-C 3.58Å; H800-S822 VanDerWaalsContact O-CA 3.27Å; H800-S822 WeakPolarHBondContact O-CA 3.44Å; H800-N823 WeakPolarHBondContact O-CB 3.41Å; H800-N823 PolarHBondContact O-N 3.01Å; H800-N823 PolarHBondContact O-ND2 3.03Å; H800-R824 PolarHBondContact CD2-NE 3.24Å; H800-R824 VanDerWaalsContact CD2-NE 3.3Å; H800-R824 PolarHBondContact CE1-NE 3.16Å; H800-R824 PolarHBondContact CE1-NH2 3.48Å; H800-R824 PolarHBondContact ND1-NE 3.05Å; H800-R824 VanDerWaalsContact NE2-CZ 3.25Å; H800-R824 PolarHBondContact NE2-NE 3.29Å; H800-R824 PolarHBondContact NE2-NH2 2.96Å
801	R	90.1	Very high	92.1	Very high	135 Å²	135	50.2 Å²	50.2	51%	0.509	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.5	128.2	179.4	-170	-177.6	-67.4	-155.1	-2.1	110.6	D797 T820 L821	D797-R801 VanDerWaalsContact O-CB 3.26Å; D797-R801 WeakPolarHBondContact O-CB 3.42Å; D797-R801 PolarHBondContact O-N 2.68Å; D797-R801 IonicContact OD2-CZ 2.87Å; D797-R801 VanDerWaalsContact OD2-CZ 3.25Å; D797-R801 IonicContact OD2-NE 2.78Å; D797-R801 PolarHBondContact OD2-NE 3.38Å; D797-R801 VanDerWaalsContact OD2-NE 3.09Å; D797-R801 IonicContact OD2-NH2 3.52Å; D797-R801 PolarHBondContact OD2-NH2 3.36Å; R801-T820 HydrophobicContact CG-CG2 3.49Å; R801-T820 VanDerWaalsContact CG-CG2 3.49Å; R801-L821 WeakPolarHBondContact CA-O 3.49Å
802	V	91.3	Very high	91.4	Very high	15 Å²	15	58 Å²	58	9%	0.091	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	130.7	178.5	61.9	0	0	0	0	110.2	H800 V804 L821 N823 L869 L873 K882	H800-V802 PolarHBondContact O-N 3.16Å; V802-V804 HydrophobicContact CG1-CG2 4.12Å; V802-V804 HydrophobicContact CG2-CG2 4.12Å; V802-L821 HydrophobicContact CG1-CB 4.39Å; V802-L821 PolarHBondContact N-O 3.35Å; V802-L821 PolarHBondContact O-N 2.67Å; V802-N823 WeakPolarHBondContact CG1-OD1 3.45Å; V802-L869 HydrophobicContact CG1-CD2 3.67Å; V802-L873 HydrophobicContact CG1-CD1 4.3Å; V802-L873 HydrophobicContact CG2-CD1 3.96Å; V802-K882 HydrophobicContact CG2-CD 4.1Å; V802-K882 HydrophobicContact CG2-CG 4.31Å
803	D	91.9	Very high	90.9	Very high	89 Å²	89	60.1 Å²	60.1	48%	0.476	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	122.8	170.7	-73.6	-24.1	0	0	0	109.6	V818 T820	D803-V818 HydrophobicContact CB-CG1 3.77Å; D803-T820 VanDerWaalsContact OD1-CA 3.3Å; D803-T820 WeakPolarHBondContact OD1-CA 3.13Å; D803-T820 VanDerWaalsContact OD1-CB 3.23Å; D803-T820 WeakPolarHBondContact OD1-CB 3.38Å; D803-T820 WeakPolarHBondContact OD1-CG2 3.49Å; D803-T820 PolarHBondContact OD1-OG1 3.15Å
804	V	93.9	Very high	90.6	Very high	0 Å²	0	60.6 Å²	60.6	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	128.5	179.8	-173.3	0	0	0	0	109.5	V802 F806 V819 L821 L869 L873 K882 L884	V802-V804 HydrophobicContact CG1-CG2 4.12Å; V802-V804 HydrophobicContact CG2-CG2 4.12Å; V804-F806 HydrophobicContact CB-CE2 3.89Å; V804-F806 HydrophobicContact CB-CZ 4.38Å; V804-F806 HydrophobicContact CG1-CD2 4.39Å; V804-F806 HydrophobicContact CG1-CE2 3.88Å; V804-F806 HydrophobicContact CG1-CZ 4.03Å; V804-V819 PolarHBondContact N-O 3.34Å; V804-V819 PolarHBondContact O-N 3.01Å; V804-L821 HydrophobicContact CB-CD1 4.45Å; V804-L821 HydrophobicContact CG2-CD1 4.37Å; V804-L869 HydrophobicContact CG2-CD2 4.18Å; V804-L873 HydrophobicContact CG2-CD1 3.77Å; V804-K882 WeakPolarHBondContact CA-O 3.32Å; V804-K882 HydrophobicContact CG2-CB 4.43Å; V804-L884 HydrophobicContact CG1-CB 4.22Å; V804-L884 HydrophobicContact CG1-CD1 4.11Å; V804-L884 HydrophobicContact CG1-CG 3.96Å
805	I	94.6	Very high	90.3	Very high	45 Å²	45	64.9 Å²	64.9	23%	0.231	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	124.7	173.4	-56.9	164.7	0	0	0	108.4	F817 V818 P881 K882 K883 L884	I805-F817 CarbonylContact C-O 3.59Å; I805-F817 WeakPolarHBondContact CA-O 3.35Å; I805-V818 HydrophobicContact CG1-CG2 3.97Å; I805-P881 HydrophobicContact CD1-CB 3.89Å; I805-K882 PolarHBondContact N-O 2.99Å; I805-K883 HydrophobicContact CB-CB 4.16Å; I805-K883 CarbonylContact O-C 3.54Å; I805-K883 VanDerWaalsContact O-CA 3.25Å; I805-K883 WeakPolarHBondContact O-CA 3.38Å; I805-L884 PolarHBondContact O-N 3.18Å
806	F	95.2	Very high	90.2	Very high	0 Å²	0	66 Å²	66	0%	0	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	117.5	173.6	-73.7	-86.6	0	0	0	110.2	V804 G816 F817 V819 L821 V830 V834 F847 L884 Y886	V804-F806 HydrophobicContact CB-CE2 3.89Å; V804-F806 HydrophobicContact CB-CZ 4.38Å; V804-F806 HydrophobicContact CG1-CD2 4.39Å; V804-F806 HydrophobicContact CG1-CE2 3.88Å; V804-F806 HydrophobicContact CG1-CZ 4.03Å; F806-G816 CarbonylContact O-C 3.59Å; F806-G816 WeakPolarHBondContact O-CA 3.38Å; F806-F817 HydrophobicContact CB-CD1 4.43Å; F806-F817 HydrophobicContact CB-CE1 3.91Å; F806-F817 HydrophobicContact CB-CE2 4.15Å; F806-F817 HydrophobicContact CB-CZ 3.76Å; F806-F817 HydrophobicContact CG-CZ 4.49Å; F806-F817 PolarHBondContact N-O 2.73Å; F806-F817 PolarHBondContact O-N 2.98Å; F806-V819 HydrophobicContact CD2-CB 4.17Å; F806-V819 HydrophobicContact CD2-CG2 3.86Å; F806-V819 HydrophobicContact CE2-CB 4.06Å; F806-V819 HydrophobicContact CE2-CG2 4.19Å; F806-L821 HydrophobicContact CE2-CD1 3.76Å; F806-L821 HydrophobicContact CZ-CD1 3.78Å; F806-V830 HydrophobicContact CE1-CG1 4.47Å; F806-V830 HydrophobicContact CZ-CG1 4.02Å; F806-V834 HydrophobicContact CD1-CG1 4.36Å; F806-V834 HydrophobicContact CD1-CG2 4.18Å; F806-V834 HydrophobicContact CD2-CG2 4.02Å; F806-V834 HydrophobicContact CE1-CG2 3.78Å; F806-V834 HydrophobicContact CE2-CG2 3.6Å; F806-V834 HydrophobicContact CG-CG1 4.41Å; F806-V834 HydrophobicContact CG-CG2 4.29Å; F806-V834 HydrophobicContact CZ-CG2 3.46Å; F806-V834 VanDerWaalsContact CZ-CG2 3.46Å; F806-F847 HydrophobicContact CD1-CD1 4.19Å; F806-F847 AromaticContact CD1-CE1 3.82Å; F806-F847 HydrophobicContact CD1-CE1 3.82Å; F806-F847 AromaticContact CE1-CD1 3.87Å; F806-F847 HydrophobicContact CE1-CD1 3.87Å; F806-F847 AromaticContact CE1-CE1 3.52Å; F806-F847 HydrophobicContact CE1-CE1 3.52Å; F806-L884 WeakPolarHBondContact CA-O 3.34Å; F806-L884 HydrophobicContact CD1-CB 4.13Å; F806-L884 HydrophobicContact CE1-CB 3.91Å; F806-L884 HydrophobicContact CE1-CD1 4.13Å; F806-L884 HydrophobicContact CZ-CD1 4.32Å; F806-Y886 HydrophobicContact CB-CD1 3.92Å; F806-Y886 HydrophobicContact CB-CE1 4.04Å; F806-Y886 HydrophobicContact CD1-CD1 4.45Å
807	C	94.1	Very high	90.3	Very high	12 Å²	12	63 Å²	63	8%	0.081	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	135.9	178.5	-62	0	0	0	0	111	K809 D814 L884 Y885 Y886	C807-K809 PolarHBondContact O-N 3.5Å; C807-D814 WeakPolarHBondContact CA-OD2 3.43Å; C807-L884 PolarHBondContact N-O 2.8Å; C807-Y885 HydrophobicContact CB-CD1 3.74Å; C807-Y885 HydrophobicContact CB-CE1 3.85Å; C807-Y885 CarbonylContact O-C 3.54Å; C807-Y885 VanDerWaalsContact O-CA 3.25Å; C807-Y885 WeakPolarHBondContact O-CA 3.08Å; C807-Y886 WeakPolarHBondContact O-CD1 3.5Å; C807-Y886 PolarHBondContact O-N 3.36Å
808	D	93.4	Very high	90.5	Very high	14 Å²	14	64.4 Å²	64.4	8%	0.075	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	120.5	174.8	-162.7	-51.9	0	0	0	110.7	T810 I811 D814 Y886	D808-T810 PolarHBondContact O-N 2.71Å; D808-T810 WeakPolarHBondContact OD1-CB 3.36Å; D808-T810 PolarHBondContact OD1-N 3.13Å; D808-T810 PolarHBondContact OD1-OG1 3.15Å; D808-I811 HydrophobicContact CB-CB 4.39Å; D808-I811 HydrophobicContact CB-CD1 4.07Å; D808-I811 HydrophobicContact CB-CG1 4.21Å; D808-I811 PolarHBondContact O-N 3.07Å; D808-D814 PolarHBondContact N-OD2 3.19Å; D808-Y886 CarbonylContact C-O 3.56Å; D808-Y886 WeakPolarHBondContact CA-O 3.47Å; D808-Y886 HydrophobicContact CB-CE1 4.29Å
809	K	90.4	Very high	90.8	Very high	97 Å²	97	62.2 Å²	62.2	42%	0.422	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63	-27.2	179.7	175.3	175.7	-179.6	-175.9	0	113	C807 I811 F848 P857 Y886	C807-K809 PolarHBondContact O-N 3.5Å; K809-I811 VanDerWaalsContact C-N 3.35Å; K809-F848 HydrophobicContact CB-CE2 4.21Å; K809-F848 HydrophobicContact CD-CD1 4.3Å; K809-F848 HydrophobicContact CD-CD2 4Å; K809-F848 HydrophobicContact CD-CE1 3.87Å; K809-F848 HydrophobicContact CD-CE2 3.52Å; K809-F848 HydrophobicContact CD-CG 4.38Å; K809-F848 HydrophobicContact CD-CZ 3.46Å; K809-F848 VanDerWaalsContact CD-CZ 3.46Å; K809-F848 VanDerWaalsContact NZ-CE1 3.31Å; K809-P857 HydrophobicContact CD-CB 4.13Å; K809-P857 HydrophobicContact CD-CG 3.97Å; K809-P857 HydrophobicContact CG-CB 4.5Å; K809-P857 HydrophobicContact CG-CG 4Å; K809-Y886 PolarHBondContact N-O 2.92Å
810	T	87.8	Confident	90.9	Very high	103 Å²	103	62.5 Å²	62.5	63%	0.632	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.2	-18.7	-176	67.7	0	0	0	0	112.7	D808 Q887	D808-T810 PolarHBondContact O-N 2.71Å; D808-T810 WeakPolarHBondContact OD1-CB 3.36Å; D808-T810 PolarHBondContact OD1-N 3.13Å; D808-T810 PolarHBondContact OD1-OG1 3.15Å; T810-Q887 HydrophobicContact CG2-CB 4.16Å
811	I	87.1	Confident	91.1	Very high	93 Å²	93	62 Å²	62	48%	0.477	33%	0.331	S	S	.	.	S	Bend	trans	-100.4	116.7	-179.2	-58.6	175.9	0	0	0	108.5	D808 K809 N813 D814	D808-I811 HydrophobicContact CB-CB 4.39Å; D808-I811 HydrophobicContact CB-CD1 4.07Å; D808-I811 HydrophobicContact CB-CG1 4.21Å; D808-I811 PolarHBondContact O-N 3.07Å; K809-I811 VanDerWaalsContact C-N 3.35Å; I811-N813 PolarHBondContact O-N 3.49Å; I811-D814 HydrophobicContact CB-CB 4.06Å; I811-D814 HydrophobicContact CG2-CB 4.04Å; I811-D814 PolarHBondContact O-N 2.9Å
812	H	80.1	Confident	91.2	Very high	164 Å²	164	57 Å²	57	76%	0.759	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.5	128.2	177.7	-165.7	-25.6	0	0	0	110.3	D814	H812-D814 VanDerWaalsContact C-N 3.32Å; H812-D814 PolarHBondContact O-N 3.16Å
813	N	84.3	Confident	91.1	Very high	141 Å²	141	57.6 Å²	57.6	75%	0.754	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.7	36.2	-179.8	-60.5	-17.9	0	0	0	113.9	I811 P815	I811-N813 PolarHBondContact O-N 3.49Å; N813-P815 WeakPolarHBondContact O-CD 3.42Å
814	D	89.3	Confident	91	Very high	39 Å²	39	60 Å²	60	21%	0.209	32%	0.322	C	S	.	.			trans	-59	121.5	173.7	-178.3	26.3	0	0	0	111.3	C807 D808 I811 H812 G816	C807-D814 WeakPolarHBondContact CA-OD2 3.43Å; D808-D814 PolarHBondContact N-OD2 3.19Å; I811-D814 HydrophobicContact CB-CB 4.06Å; I811-D814 HydrophobicContact CG2-CB 4.04Å; I811-D814 PolarHBondContact O-N 2.9Å; H812-D814 VanDerWaalsContact C-N 3.32Å; H812-D814 PolarHBondContact O-N 3.16Å; D814-G816 VanDerWaalsContact CG-N 3.33Å; D814-G816 PolarHBondContact O-N 3.29Å; D814-G816 PolarHBondContact OD1-N 3.31Å
815	P	87.3	Confident	91	Very high	113 Å²	113	62 Å²	62	73%	0.734	33%	0.331	S	S	*	.			trans	-63.4	-20.3	172.7	27.3	-36.3	0	0	0	112.5	N813	N813-P815 WeakPolarHBondContact O-CD 3.42Å
816	G	92.4	Very high	90.9	Very high	23 Å²	23	63.2 Å²	63.2	24%	0.237	34%	0.338	C	S	.	.			trans	69.1	-172.2	-179	0	0	0	0	0	113.4	F806 D814	F806-G816 CarbonylContact O-C 3.59Å; F806-G816 WeakPolarHBondContact O-CA 3.38Å; D814-G816 VanDerWaalsContact CG-N 3.33Å; D814-G816 PolarHBondContact O-N 3.29Å; D814-G816 PolarHBondContact OD1-N 3.31Å
817	F	94.6	Very high	90.8	Very high	40 Å²	40	64 Å²	64	18%	0.175	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	147.9	175.6	61.9	-83.8	0	0	0	111.2	I805 F806 V819 V834 R837 L838 Y886	I805-F817 CarbonylContact C-O 3.59Å; I805-F817 WeakPolarHBondContact CA-O 3.35Å; F806-F817 HydrophobicContact CB-CD1 4.43Å; F806-F817 HydrophobicContact CB-CE1 3.91Å; F806-F817 HydrophobicContact CB-CE2 4.15Å; F806-F817 HydrophobicContact CB-CZ 3.76Å; F806-F817 HydrophobicContact CG-CZ 4.49Å; F806-F817 PolarHBondContact N-O 2.73Å; F806-F817 PolarHBondContact O-N 2.98Å; F817-V819 HydrophobicContact CD2-CG2 3.6Å; F817-V819 HydrophobicContact CE2-CG2 3.38Å; F817-V834 HydrophobicContact CZ-CG1 4.08Å; F817-R837 HydrophobicContact CD2-CG 3.8Å; F817-R837 HydrophobicContact CE2-CB 4.14Å; F817-R837 HydrophobicContact CE2-CG 3.57Å; F817-R837 HydrophobicContact CZ-CG 4.49Å; F817-L838 HydrophobicContact CE1-CD1 4.44Å; F817-L838 HydrophobicContact CE1-CD2 3.63Å; F817-L838 HydrophobicContact CE1-CG 4.2Å; F817-L838 HydrophobicContact CZ-CD1 4.06Å; F817-L838 HydrophobicContact CZ-CD2 3.7Å; F817-L838 HydrophobicContact CZ-CG 3.77Å; F817-Y886 AromaticContact CE1-CE1 3.72Å; F817-Y886 HydrophobicContact CE1-CE1 3.72Å; F817-Y886 AromaticContact CE1-CZ 3.96Å; F817-Y886 HydrophobicContact CZ-CE1 4.3Å
818	V	94.7	Very high	90.7	Very high	83 Å²	83	68.9 Å²	68.9	50%	0.503	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	136.1	179.3	-178.5	0	0	0	0	110.3	D803 I805	D803-V818 HydrophobicContact CB-CG1 3.77Å; I805-V818 HydrophobicContact CG1-CG2 3.97Å
819	V	94.8	Very high	90.7	Very high	12 Å²	12	72.5 Å²	72.5	7%	0.073	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	128	168.3	-172.7	0	0	0	0	109	V804 F806 F817 L821 T833 R837	V804-V819 PolarHBondContact N-O 3.34Å; V804-V819 PolarHBondContact O-N 3.01Å; F806-V819 HydrophobicContact CD2-CB 4.17Å; F806-V819 HydrophobicContact CD2-CG2 3.86Å; F806-V819 HydrophobicContact CE2-CB 4.06Å; F806-V819 HydrophobicContact CE2-CG2 4.19Å; F817-V819 HydrophobicContact CD2-CG2 3.6Å; F817-V819 HydrophobicContact CE2-CG2 3.38Å; V819-L821 HydrophobicContact CB-CG 4.35Å; V819-L821 HydrophobicContact CG1-CD2 3.63Å; V819-L821 HydrophobicContact CG1-CG 3.92Å; V819-L821 PolarHBondContact O-N 3.36Å; V819-T833 HydrophobicContact CG1-CG2 3.85Å; V819-R837 HydrophobicContact CG2-CG 4.35Å
820	T	92.1	Very high	90.9	Very high	77 Å²	77	68.3 Å²	68.3	47%	0.472	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	116.9	171.8	-50.2	0	0	0	0	109.3	R801 D803	R801-T820 HydrophobicContact CG-CG2 3.49Å; R801-T820 VanDerWaalsContact CG-CG2 3.49Å; D803-T820 VanDerWaalsContact OD1-CA 3.3Å; D803-T820 WeakPolarHBondContact OD1-CA 3.13Å; D803-T820 VanDerWaalsContact OD1-CB 3.23Å; D803-T820 WeakPolarHBondContact OD1-CB 3.38Å; D803-T820 WeakPolarHBondContact OD1-CG2 3.49Å; D803-T820 PolarHBondContact OD1-OG1 3.15Å
821	L	93.6	Very high	91.2	Very high	6 Å²	6	63.4 Å²	63.4	3%	0.031	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	177.3	-176.8	-62.9	176.9	0	0	0	110.3	R801 V802 V804 F806 V819 M825 V830 T833 L869	R801-L821 WeakPolarHBondContact CA-O 3.49Å; V802-L821 HydrophobicContact CG1-CB 4.39Å; V802-L821 PolarHBondContact N-O 3.35Å; V802-L821 PolarHBondContact O-N 2.67Å; V804-L821 HydrophobicContact CB-CD1 4.45Å; V804-L821 HydrophobicContact CG2-CD1 4.37Å; F806-L821 HydrophobicContact CE2-CD1 3.76Å; F806-L821 HydrophobicContact CZ-CD1 3.78Å; V819-L821 HydrophobicContact CB-CG 4.35Å; V819-L821 HydrophobicContact CG1-CD2 3.63Å; V819-L821 HydrophobicContact CG1-CG 3.92Å; V819-L821 PolarHBondContact O-N 3.36Å; L821-M825 HydrophobicContact CB-SD 3.98Å; L821-M825 HydrophobicContact CD2-SD 3.76Å; L821-M825 HydrophobicContact CG-SD 4.44Å; L821-V830 HydrophobicContact CD1-CG1 3.99Å; L821-V830 HydrophobicContact CD1-CG2 4.38Å; L821-T833 HydrophobicContact CD2-CG2 3.68Å; L821-L869 HydrophobicContact CB-CD2 3.57Å; L821-L869 HydrophobicContact CD1-CD2 3.79Å; L821-L869 HydrophobicContact CG-CD2 4.35Å
822	S	91.4	Very high	91.5	Very high	30 Å²	30	63.8 Å²	63.8	21%	0.21	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	135.9	170.5	170.1	0	0	0	0	110.6	H800 R824 M825	H800-S822 WeakPolarHBondContact CB-OG 3.4Å; H800-S822 CarbonylContact O-C 3.58Å; H800-S822 VanDerWaalsContact O-CA 3.27Å; H800-S822 WeakPolarHBondContact O-CA 3.44Å; S822-R824 PolarHBondContact O-N 2.93Å; S822-R824 PolarHBondContact OG-N 3.3Å; S822-M825 VanDerWaalsContact O-CB 3.25Å; S822-M825 WeakPolarHBondContact O-CB 3.43Å; S822-M825 WeakPolarHBondContact O-CG 3.42Å; S822-M825 PolarHBondContact O-N 3.38Å
823	N	90.8	Very high	92.2	Very high	29 Å²	29	57.9 Å²	57.9	16%	0.155	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.9	-21.9	174.8	-82	-40.1	0	0	0	112.8	Y799 H800 V802 T868 R870	Y799-N823 PolarHBondContact O-ND2 2.86Å; H800-N823 WeakPolarHBondContact O-CB 3.41Å; H800-N823 PolarHBondContact O-N 3.01Å; H800-N823 PolarHBondContact O-ND2 3.03Å; V802-N823 WeakPolarHBondContact CG1-OD1 3.45Å; N823-T868 WeakPolarHBondContact O-CB 3.48Å; N823-R870 HydrophobicContact CB-CB 4.16Å; N823-R870 WeakPolarHBondContact O-CB 3.23Å; N823-R870 PolarHBondContact O-N 3.06Å; N823-R870 VanDerWaalsContact O-N 3.09Å
824	R	89.8	Confident	92.7	Very high	139 Å²	139	51.2 Å²	51.2	53%	0.525	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.6	-8.7	176.1	-62.2	-177.2	179	-166.7	-4.3	113.7	H800 S822 N826	H800-R824 PolarHBondContact CD2-NE 3.24Å; H800-R824 VanDerWaalsContact CD2-NE 3.3Å; H800-R824 PolarHBondContact CE1-NE 3.16Å; H800-R824 PolarHBondContact CE1-NH2 3.48Å; H800-R824 PolarHBondContact ND1-NE 3.05Å; H800-R824 VanDerWaalsContact NE2-CZ 3.25Å; H800-R824 PolarHBondContact NE2-NE 3.29Å; H800-R824 PolarHBondContact NE2-NH2 2.96Å; S822-R824 PolarHBondContact O-N 2.93Å; S822-R824 PolarHBondContact OG-N 3.3Å; R824-N826 PolarHBondContact O-N 2.85Å
825	M	92.5	Very high	92.9	Very high	42 Å²	42	49.4 Å²	49.4	21%	0.207	26%	0.259	C	S	.	.			trans	-64.8	131.3	-177.9	-71.9	179.6	177.4	0	0	110.3	L821 S822 Q829 V830 T868 L869	L821-M825 HydrophobicContact CB-SD 3.98Å; L821-M825 HydrophobicContact CD2-SD 3.76Å; L821-M825 HydrophobicContact CG-SD 4.44Å; S822-M825 VanDerWaalsContact O-CB 3.25Å; S822-M825 WeakPolarHBondContact O-CB 3.43Å; S822-M825 WeakPolarHBondContact O-CG 3.42Å; S822-M825 PolarHBondContact O-N 3.38Å; M825-Q829 VanDerWaalsContact CA-OE1 3.29Å; M825-Q829 HydrophobicContact CB-CB 3.94Å; M825-Q829 HydrophobicContact CG-CB 4.01Å; M825-Q829 HydrophobicContact SD-CB 4.47Å; M825-V830 HydrophobicContact CB-CG2 3.66Å; M825-T868 CarbonylContact O-C 3.53Å; M825-T868 WeakPolarHBondContact O-CA 3.46Å; M825-L869 PolarHBondContact O-N 3.17Å
826	N	93.8	Very high	93.2	Very high	70 Å²	70	49.7 Å²	49.7	37%	0.374	25%	0.251	S	S	.	.	B	Isolated β-bridge	trans	-79.4	173.5	169.4	65.2	25.5	0	0	0	110.8	R824 F828 Q829 V830	R824-N826 PolarHBondContact O-N 2.85Å; N826-F828 VanDerWaalsContact C-N 3.27Å; N826-F828 PolarHBondContact O-N 3.07Å; N826-F828 PolarHBondContact OD1-N 3.43Å; N826-Q829 VanDerWaalsContact N-OE1 3.16Å; N826-Q829 PolarHBondContact O-N 3.04Å; N826-Q829 WeakPolarHBondContact OD1-CG 3.37Å; N826-Q829 PolarHBondContact OD1-N 3.2Å; N826-V830 WeakPolarHBondContact O-CG2 3.41Å; N826-V830 PolarHBondContact O-N 3.48Å
827	Y	92.4	Very high	93.3	Very high	16 Å²	16	55.9 Å²	55.9	6%	0.063	27%	0.267	C	S	.	.	H	α-helix	trans	-49.4	-47.5	179.8	-178.8	-86.5	0	0	0	112.8	Q829 V830 A831 L845 F847 L861 H863 I893	Y827-Q829 PolarHBondContact O-N 2.9Å; Y827-V830 PolarHBondContact O-N 2.7Å; Y827-A831 HydrophobicContact CD1-CB 4.38Å; Y827-A831 HydrophobicContact CE1-CB 4.04Å; Y827-A831 VanDerWaalsContact O-CB 3.25Å; Y827-A831 WeakPolarHBondContact O-CB 3.21Å; Y827-A831 PolarHBondContact O-N 3.33Å; Y827-L845 PolarHBondContact OH-O 3.26Å; Y827-F847 AromaticContact CE2-CD2 3.72Å; Y827-F847 HydrophobicContact CE2-CD2 3.72Å; Y827-F847 HydrophobicContact CE2-CE2 4.48Å; Y827-F847 AromaticContact CZ-CD2 3.83Å; Y827-L861 HydrophobicContact CD2-CD2 3.76Å; Y827-L861 HydrophobicContact CD2-CG 4.12Å; Y827-L861 HydrophobicContact CE2-CD2 3.94Å; Y827-L861 HydrophobicContact CE2-CG 4.12Å; Y827-H863 HydrophobicContact CD1-CB 4.42Å; Y827-H863 WeakPolarHBondContact CD1-O 3.36Å; Y827-H863 VanDerWaalsContact CE1-CA 3.5Å; Y827-H863 HydrophobicContact CE1-CB 3.81Å; Y827-I893 WeakPolarHBondContact OH-CD1 3.32Å
828	F	92.1	Very high	93.1	Very high	116 Å²	116	55.9 Å²	55.9	51%	0.509	27%	0.268	S	S	.	.	H	α-helix	trans	-63.6	-41.8	-175.9	-178.6	-100.4	0	0	0	112.5	N826 K832 M843	N826-F828 VanDerWaalsContact C-N 3.27Å; N826-F828 PolarHBondContact O-N 3.07Å; N826-F828 PolarHBondContact OD1-N 3.43Å; F828-K832 HydrophobicContact CE1-CD 4.48Å; F828-K832 VanDerWaalsContact O-CB 3.24Å; F828-K832 WeakPolarHBondContact O-CB 3.42Å; F828-K832 PolarHBondContact O-N 2.81Å; F828-M843 HydrophobicContact CD2-CE 4.35Å; F828-M843 HydrophobicContact CE2-CE 4.31Å
829	Q	93.4	Very high	93.1	Very high	90 Å²	90	59.4 Å²	59.4	42%	0.421	28%	0.284	S	S	.	.	H	α-helix	trans	-66.5	-44.9	177.6	-71.8	168.9	-31.4	0	0	111.5	M825 N826 Y827 K832 T833	M825-Q829 VanDerWaalsContact CA-OE1 3.29Å; M825-Q829 HydrophobicContact CB-CB 3.94Å; M825-Q829 HydrophobicContact CG-CB 4.01Å; M825-Q829 HydrophobicContact SD-CB 4.47Å; N826-Q829 VanDerWaalsContact N-OE1 3.16Å; N826-Q829 PolarHBondContact O-N 3.04Å; N826-Q829 WeakPolarHBondContact OD1-CG 3.37Å; N826-Q829 PolarHBondContact OD1-N 3.2Å; Y827-Q829 PolarHBondContact O-N 2.9Å; Q829-K832 PolarHBondContact O-N 3.28Å; Q829-T833 PolarHBondContact O-N 2.82Å; Q829-T833 PolarHBondContact O-OG1 2.88Å; Q829-T833 VanDerWaalsContact O-OG1 3.05Å
830	V	94.4	Very high	93	Very high	8 Å²	8	60.6 Å²	60.6	5%	0.048	29%	0.292	C	S	.	.	H	α-helix	trans	-60.4	-51.1	175.4	175.3	0	0	0	0	110.4	F806 L821 M825 N826 Y827 K832 T833 V834 L869	F806-V830 HydrophobicContact CE1-CG1 4.47Å; F806-V830 HydrophobicContact CZ-CG1 4.02Å; L821-V830 HydrophobicContact CD1-CG1 3.99Å; L821-V830 HydrophobicContact CD1-CG2 4.38Å; M825-V830 HydrophobicContact CB-CG2 3.66Å; N826-V830 WeakPolarHBondContact O-CG2 3.41Å; N826-V830 PolarHBondContact O-N 3.48Å; Y827-V830 PolarHBondContact O-N 2.7Å; V830-K832 VanDerWaalsContact C-N 3.3Å; V830-K832 PolarHBondContact O-N 3.33Å; V830-T833 PolarHBondContact O-N 3.45Å; V830-V834 HydrophobicContact CG1-CG2 4.23Å; V830-V834 VanDerWaalsContact O-CG2 3.29Å; V830-V834 WeakPolarHBondContact O-CG2 3.48Å; V830-V834 PolarHBondContact O-N 3.42Å; V830-L869 HydrophobicContact CG2-CB 4.24Å; V830-L869 HydrophobicContact CG2-CD1 4.42Å; V830-L869 HydrophobicContact CG2-CD2 4.4Å
831	A	94	Very high	92.8	Very high	1 Å²	1	60.4 Å²	60.4	1%	0.008	29%	0.288	C	S	.	.	H	α-helix	trans	-57.8	-42.8	179.6	0	0	0	0	0	111.6	Y827 A835 P842 F847	Y827-A831 HydrophobicContact CD1-CB 4.38Å; Y827-A831 HydrophobicContact CE1-CB 4.04Å; Y827-A831 VanDerWaalsContact O-CB 3.25Å; Y827-A831 WeakPolarHBondContact O-CB 3.21Å; Y827-A831 PolarHBondContact O-N 3.33Å; A831-A835 WeakPolarHBondContact O-CB 3.22Å; A831-A835 PolarHBondContact O-N 3.47Å; A831-P842 HydrophobicContact CB-CB 4.12Å; A831-F847 HydrophobicContact CB-CE2 3.76Å; A831-F847 HydrophobicContact CB-CZ 4.41Å
832	K	94.6	Very high	92.6	Very high	101 Å²	101	61.5 Å²	61.5	44%	0.439	30%	0.295	S	S	.	.	H	α-helix	trans	-61.7	-48.3	177.2	-174.3	179.8	177.5	-176.4	0	112.4	F828 Q829 V830 A835 Q836 P842	F828-K832 HydrophobicContact CE1-CD 4.48Å; F828-K832 VanDerWaalsContact O-CB 3.24Å; F828-K832 WeakPolarHBondContact O-CB 3.42Å; F828-K832 PolarHBondContact O-N 2.81Å; Q829-K832 PolarHBondContact O-N 3.28Å; V830-K832 VanDerWaalsContact C-N 3.3Å; V830-K832 PolarHBondContact O-N 3.33Å; K832-A835 PolarHBondContact O-N 2.75Å; K832-Q836 WeakPolarHBondContact O-CB 3.48Å; K832-Q836 VanDerWaalsContact O-CG 3.27Å; K832-Q836 WeakPolarHBondContact O-CG 3.39Å; K832-Q836 PolarHBondContact O-N 3.41Å; K832-P842 HydrophobicContact CB-CG 4.42Å
833	T	94.7	Very high	92.5	Very high	40 Å²	40	62.2 Å²	62.2	25%	0.245	30%	0.296	C	S	.	.	H	α-helix	trans	-65.9	-42.9	-179	-54.4	0	0	0	0	111.6	V819 L821 Q829 V830 Q836 R837	V819-T833 HydrophobicContact CG1-CG2 3.85Å; L821-T833 HydrophobicContact CD2-CG2 3.68Å; Q829-T833 PolarHBondContact O-N 2.82Å; Q829-T833 PolarHBondContact O-OG1 2.88Å; Q829-T833 VanDerWaalsContact O-OG1 3.05Å; V830-T833 PolarHBondContact O-N 3.45Å; T833-Q836 PolarHBondContact O-N 2.61Å; T833-R837 PolarHBondContact O-N 2.9Å; T833-R837 VanDerWaalsContact O-N 3.08Å
834	V	94.9	Very high	92.5	Very high	0 Å²	0	63 Å²	63	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-67.1	-41	177.6	177.9	0	0	0	0	111	F806 F817 V830 Q836 R837 L838 L845 F847	F806-V834 HydrophobicContact CD1-CG1 4.36Å; F806-V834 HydrophobicContact CD1-CG2 4.18Å; F806-V834 HydrophobicContact CD2-CG2 4.02Å; F806-V834 HydrophobicContact CE1-CG2 3.78Å; F806-V834 HydrophobicContact CE2-CG2 3.6Å; F806-V834 HydrophobicContact CG-CG1 4.41Å; F806-V834 HydrophobicContact CG-CG2 4.29Å; F806-V834 HydrophobicContact CZ-CG2 3.46Å; F806-V834 VanDerWaalsContact CZ-CG2 3.46Å; F817-V834 HydrophobicContact CZ-CG1 4.08Å; V830-V834 HydrophobicContact CG1-CG2 4.23Å; V830-V834 VanDerWaalsContact O-CG2 3.29Å; V830-V834 WeakPolarHBondContact O-CG2 3.48Å; V830-V834 PolarHBondContact O-N 3.42Å; V834-Q836 PolarHBondContact O-N 3.4Å; V834-R837 WeakPolarHBondContact O-CB 3.18Å; V834-R837 PolarHBondContact O-N 2.74Å; V834-R837 VanDerWaalsContact O-N 3.12Å; V834-L838 HydrophobicContact CG1-CD1 3.93Å; V834-L838 HydrophobicContact CG1-CG 4.48Å; V834-L838 WeakPolarHBondContact O-CB 3.45Å; V834-L838 WeakPolarHBondContact O-CG 3.35Å; V834-L838 PolarHBondContact O-N 2.84Å; V834-L845 HydrophobicContact CB-CD1 4.37Å; V834-L845 HydrophobicContact CG1-CD1 4.02Å; V834-F847 HydrophobicContact CB-CE1 4.35Å; V834-F847 HydrophobicContact CB-CZ 4.05Å; V834-F847 HydrophobicContact CG1-CE1 4.09Å; V834-F847 HydrophobicContact CG1-CZ 4.11Å; V834-F847 HydrophobicContact CG2-CE1 4.31Å; V834-F847 HydrophobicContact CG2-CZ 4.28Å
835	A	93.5	Very high	92.6	Very high	1 Å²	1	56.4 Å²	56.4	1%	0.008	28%	0.275	C	S	.	.	H	α-helix	trans	-64.9	-38.5	176.9	0	0	0	0	0	112.7	A831 K832 R837 L838 N839 T840 P842 L845	A831-A835 WeakPolarHBondContact O-CB 3.22Å; A831-A835 PolarHBondContact O-N 3.47Å; K832-A835 PolarHBondContact O-N 2.75Å; A835-R837 VanDerWaalsContact C-N 3.3Å; A835-R837 PolarHBondContact O-N 2.88Å; A835-L838 CarbonylContact O-C 3.56Å; A835-L838 PolarHBondContact O-N 2.89Å; A835-N839 WeakPolarHBondContact O-CA 3.42Å; A835-N839 PolarHBondContact O-N 2.82Å; A835-T840 HydrophobicContact CB-CG2 4.12Å; A835-T840 WeakPolarHBondContact CB-O 3.47Å; A835-T840 PolarHBondContact O-N 3.31Å; A835-P842 HydrophobicContact CB-CB 4.11Å; A835-P842 HydrophobicContact CB-CG 3.73Å; A835-L845 HydrophobicContact CB-CD1 3.76Å
836	Q	93.7	Very high	92.6	Very high	120 Å²	120	54.7 Å²	54.7	56%	0.561	27%	0.267	S	S	*	.	H	α-helix	trans	-60	-41.3	170.7	-76.4	173.7	-15.6	0	0	111.4	K832 T833 V834 L838 N839	K832-Q836 WeakPolarHBondContact O-CB 3.48Å; K832-Q836 VanDerWaalsContact O-CG 3.27Å; K832-Q836 WeakPolarHBondContact O-CG 3.39Å; K832-Q836 PolarHBondContact O-N 3.41Å; T833-Q836 PolarHBondContact O-N 2.61Å; V834-Q836 PolarHBondContact O-N 3.4Å; Q836-L838 VanDerWaalsContact C-N 3.29Å; Q836-L838 PolarHBondContact O-N 3.29Å; Q836-N839 PolarHBondContact O-N 3.47Å; Q836-N839 PolarHBondContact O-OD1 3.31Å
837	R	92.6	Very high	92.6	Very high	152 Å²	152	51.7 Å²	51.7	57%	0.574	25%	0.25	S	S	*	.	H	α-helix	trans	-66.1	-32.8	177.3	-172.8	62.7	178.8	94.1	-2.7	113	F817 V819 T833 V834 A835	F817-R837 HydrophobicContact CD2-CG 3.8Å; F817-R837 HydrophobicContact CE2-CB 4.14Å; F817-R837 HydrophobicContact CE2-CG 3.57Å; F817-R837 HydrophobicContact CZ-CG 4.49Å; V819-R837 HydrophobicContact CG2-CG 4.35Å; T833-R837 PolarHBondContact O-N 2.9Å; T833-R837 VanDerWaalsContact O-N 3.08Å; V834-R837 WeakPolarHBondContact O-CB 3.18Å; V834-R837 PolarHBondContact O-N 2.74Å; V834-R837 VanDerWaalsContact O-N 3.12Å; A835-R837 VanDerWaalsContact C-N 3.3Å; A835-R837 PolarHBondContact O-N 2.88Å
838	L	92.3	Very high	92.6	Very high	40 Å²	40	51.3 Å²	51.3	21%	0.209	25%	0.249	C	C	.	.	H	α-helix	trans	-92.2	-1.9	179.9	-70.1	175.8	0	0	0	114.1	F817 V834 A835 Q836 T840 L845 Y886	F817-L838 HydrophobicContact CE1-CD1 4.44Å; F817-L838 HydrophobicContact CE1-CD2 3.63Å; F817-L838 HydrophobicContact CE1-CG 4.2Å; F817-L838 HydrophobicContact CZ-CD1 4.06Å; F817-L838 HydrophobicContact CZ-CD2 3.7Å; F817-L838 HydrophobicContact CZ-CG 3.77Å; V834-L838 HydrophobicContact CG1-CD1 3.93Å; V834-L838 HydrophobicContact CG1-CG 4.48Å; V834-L838 WeakPolarHBondContact O-CB 3.45Å; V834-L838 WeakPolarHBondContact O-CG 3.35Å; V834-L838 PolarHBondContact O-N 2.84Å; A835-L838 CarbonylContact O-C 3.56Å; A835-L838 PolarHBondContact O-N 2.89Å; Q836-L838 VanDerWaalsContact C-N 3.29Å; Q836-L838 PolarHBondContact O-N 3.29Å; L838-T840 VanDerWaalsContact C-N 3.31Å; L838-T840 HydrophobicContact CB-CG2 3.95Å; L838-T840 PolarHBondContact O-N 2.84Å; L838-L845 HydrophobicContact CD1-CD1 4.22Å; L838-L845 HydrophobicContact CD1-CD2 3.87Å; L838-Y886 HydrophobicContact CD1-CD2 4.1Å; L838-Y886 HydrophobicContact CD1-CE1 4.47Å; L838-Y886 HydrophobicContact CD1-CE2 3.46Å; L838-Y886 VanDerWaalsContact CD1-CE2 3.46Å
839	N	93.3	Very high	92.5	Very high	157 Å²	157	50.5 Å²	50.5	84%	0.84	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.9	44.1	-173.4	-59.6	-39.2	0	0	0	113.5	A835 Q836	A835-N839 WeakPolarHBondContact O-CA 3.42Å; A835-N839 PolarHBondContact O-N 2.82Å; Q836-N839 PolarHBondContact O-N 3.47Å; Q836-N839 PolarHBondContact O-OD1 3.31Å
840	T	92.8	Very high	91.9	Very high	37 Å²	37	46.9 Å²	46.9	23%	0.227	23%	0.23	C	C	.	.	S	Bend	trans	-130.1	174.2	179.9	-166.5	0	0	0	0	112	A835 L838 L845	A835-T840 HydrophobicContact CB-CG2 4.12Å; A835-T840 WeakPolarHBondContact CB-O 3.47Å; A835-T840 PolarHBondContact O-N 3.31Å; L838-T840 VanDerWaalsContact C-N 3.31Å; L838-T840 HydrophobicContact CB-CG2 3.95Å; L838-T840 PolarHBondContact O-N 2.84Å; T840-L845 HydrophobicContact CG2-CD1 4.12Å; T840-L845 HydrophobicContact CG2-CD2 3.86Å; T840-L845 HydrophobicContact CG2-CG 3.92Å
841	D	89.1	Confident	91.1	Very high	73 Å²	73	51.2 Å²	51.2	39%	0.39	25%	0.249	S	C	.	.			trans	-79.3	133	172.8	-173.5	-42.3	0	0	0	109.5	M843 L844	D841-M843 PolarHBondContact O-N 2.89Å; D841-M843 VanDerWaalsContact O-N 3.12Å; D841-M843 WeakPolarHBondContact OD1-CB 3.45Å; D841-M843 PolarHBondContact OD1-N 3.07Å; D841-L844 HydrophobicContact CB-CD1 3.96Å; D841-L844 HydrophobicContact CB-CG 4Å; D841-L844 WeakPolarHBondContact O-CB 3.4Å; D841-L844 PolarHBondContact O-N 3.41Å
842	P	89.6	Confident	89.7	Confident	29 Å²	29	52 Å²	52	19%	0.188	26%	0.257	C	S	.	.	G	3₁₀ helix	trans	-53.6	-30.7	176.3	-24.2	32.3	0	0	0	114.3	A831 K832 A835 L844 L845	A831-P842 HydrophobicContact CB-CB 4.12Å; K832-P842 HydrophobicContact CB-CG 4.42Å; A835-P842 HydrophobicContact CB-CB 4.11Å; A835-P842 HydrophobicContact CB-CG 3.73Å; P842-L844 PolarHBondContact O-N 3.33Å; P842-L845 PolarHBondContact O-N 3.01Å
843	M	88.4	Confident	88.1	Confident	46 Å²	46	56.6 Å²	56.6	23%	0.227	27%	0.274	C	S	.	.	G	3₁₀ helix	trans	-74.7	-10.2	177.8	-61.9	-65.1	139.4	0	0	112.7	F828 D841 K892 I893 T894	F828-M843 HydrophobicContact CD2-CE 4.35Å; F828-M843 HydrophobicContact CE2-CE 4.31Å; D841-M843 PolarHBondContact O-N 2.89Å; D841-M843 VanDerWaalsContact O-N 3.12Å; D841-M843 WeakPolarHBondContact OD1-CB 3.45Å; D841-M843 PolarHBondContact OD1-N 3.07Å; M843-K892 HydrophobicContact CB-CB 4.21Å; M843-K892 HydrophobicContact CB-CG 4.1Å; M843-K892 CarbonylContact O-C 3.57Å; M843-K892 WeakPolarHBondContact O-CA 3.43Å; M843-I893 HydrophobicContact CB-CG2 4.43Å; M843-I893 WeakPolarHBondContact O-CB 3.22Å; M843-I893 PolarHBondContact O-N 3.2Å; M843-I893 HydrophobicContact SD-CG2 3.85Å; M843-T894 HydrophobicContact SD-CG2 4.35Å
844	L	90.6	Very high	86.7	Confident	46 Å²	46	63.9 Å²	63.9	24%	0.241	30%	0.296	C	S	.	.	G	3₁₀ helix	trans	-96	10.8	173.9	-60.6	176.4	0	0	0	112.3	D841 P842 Q888 L889 M891	D841-L844 HydrophobicContact CB-CD1 3.96Å; D841-L844 HydrophobicContact CB-CG 4Å; D841-L844 WeakPolarHBondContact O-CB 3.4Å; D841-L844 PolarHBondContact O-N 3.41Å; P842-L844 PolarHBondContact O-N 3.33Å; L844-Q888 CarbonylContact O-C 3.48Å; L844-Q888 WeakPolarHBondContact O-CA 3.43Å; L844-L889 PolarHBondContact O-N 3.39Å; L844-M891 VanDerWaalsContact CD2-C 3.49Å; L844-M891 WeakPolarHBondContact CD2-O 3.44Å
845	L	92.1	Very high	85.6	Confident	0 Å²	0	69.8 Å²	69.8	0%	0	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	128.2	176.6	-65.7	-179.5	0	0	0	110.9	Y827 V834 A835 L838 T840 P842 F847 Y886 Q888 I893	Y827-L845 PolarHBondContact OH-O 3.26Å; V834-L845 HydrophobicContact CB-CD1 4.37Å; V834-L845 HydrophobicContact CG1-CD1 4.02Å; A835-L845 HydrophobicContact CB-CD1 3.76Å; L838-L845 HydrophobicContact CD1-CD1 4.22Å; L838-L845 HydrophobicContact CD1-CD2 3.87Å; T840-L845 HydrophobicContact CG2-CD1 4.12Å; T840-L845 HydrophobicContact CG2-CD2 3.86Å; T840-L845 HydrophobicContact CG2-CG 3.92Å; P842-L845 PolarHBondContact O-N 3.01Å; L845-F847 HydrophobicContact CB-CE2 4.1Å; L845-F847 HydrophobicContact CB-CZ 4.23Å; L845-F847 HydrophobicContact CD1-CZ 4.1Å; L845-Y886 HydrophobicContact CD2-CD2 3.9Å; L845-Y886 HydrophobicContact CD2-CE2 4.26Å; L845-Q888 HydrophobicContact CD2-CG 4.07Å; L845-I893 WeakPolarHBondContact O-CD1 3.46Å
846	Q	92	Very high	84.9	Confident	6 Å²	6	70.5 Å²	70.5	3%	0.028	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	115.6	169.9	175.5	66.9	72.5	0	0	109.4	F848 P860 L861 Y886 Q887 L889 I893	Q846-F848 HydrophobicContact CG-CE2 4.23Å; Q846-F848 HydrophobicContact CG-CZ 3.97Å; Q846-P860 HydrophobicContact CG-CB 4.34Å; Q846-L861 PolarHBondContact NE2-O 3.49Å; Q846-Y886 CarbonylContact O-C 3.54Å; Q846-Y886 WeakPolarHBondContact O-CA 3.49Å; Q846-Q887 HydrophobicContact CB-CG 3.86Å; Q846-Q887 HydrophobicContact CG-CG 4.35Å; Q846-Q887 PolarHBondContact N-O 3.43Å; Q846-Q887 PolarHBondContact O-N 3.07Å; Q846-L889 HydrophobicContact CB-CD1 4.09Å; Q846-L889 HydrophobicContact CB-CD2 3.89Å; Q846-L889 HydrophobicContact CB-CG 4.03Å; Q846-I893 HydrophobicContact CB-CD1 4.42Å; Q846-I893 VanDerWaalsContact OE1-CD1 3.31Å
847	F	94.6	Very high	84.5	Confident	6 Å²	6	66.8 Å²	66.8	3%	0.026	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	160.9	173.9	-62.1	-79	0	0	0	111.5	F806 Y827 A831 V834 L845 L861 Y885	F806-F847 HydrophobicContact CD1-CD1 4.19Å; F806-F847 AromaticContact CD1-CE1 3.82Å; F806-F847 HydrophobicContact CD1-CE1 3.82Å; F806-F847 AromaticContact CE1-CD1 3.87Å; F806-F847 HydrophobicContact CE1-CD1 3.87Å; F806-F847 AromaticContact CE1-CE1 3.52Å; F806-F847 HydrophobicContact CE1-CE1 3.52Å; Y827-F847 AromaticContact CE2-CD2 3.72Å; Y827-F847 HydrophobicContact CE2-CD2 3.72Å; Y827-F847 HydrophobicContact CE2-CE2 4.48Å; Y827-F847 AromaticContact CZ-CD2 3.83Å; A831-F847 HydrophobicContact CB-CE2 3.76Å; A831-F847 HydrophobicContact CB-CZ 4.41Å; V834-F847 HydrophobicContact CB-CE1 4.35Å; V834-F847 HydrophobicContact CB-CZ 4.05Å; V834-F847 HydrophobicContact CG1-CE1 4.09Å; V834-F847 HydrophobicContact CG1-CZ 4.11Å; V834-F847 HydrophobicContact CG2-CE1 4.31Å; V834-F847 HydrophobicContact CG2-CZ 4.28Å; L845-F847 HydrophobicContact CB-CE2 4.1Å; L845-F847 HydrophobicContact CB-CZ 4.23Å; L845-F847 HydrophobicContact CD1-CZ 4.1Å; F847-L861 HydrophobicContact CB-CB 4.14Å; F847-L861 HydrophobicContact CB-CD2 4.24Å; F847-L861 PolarHBondContact O-N 3.21Å; F847-Y885 CarbonylContact C-O 3.59Å; F847-Y885 WeakPolarHBondContact CA-O 3.46Å
848	F	91.8	Very high	84.2	Confident	9 Å²	9	60 Å²	60	4%	0.039	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	142.2	175.7	-61	-91	0	0	0	110.6	K809 Q846 P857 G858 P860 Y885 Q887	K809-F848 HydrophobicContact CB-CE2 4.21Å; K809-F848 HydrophobicContact CD-CD1 4.3Å; K809-F848 HydrophobicContact CD-CD2 4Å; K809-F848 HydrophobicContact CD-CE1 3.87Å; K809-F848 HydrophobicContact CD-CE2 3.52Å; K809-F848 HydrophobicContact CD-CG 4.38Å; K809-F848 HydrophobicContact CD-CZ 3.46Å; K809-F848 VanDerWaalsContact CD-CZ 3.46Å; K809-F848 VanDerWaalsContact NZ-CE1 3.31Å; Q846-F848 HydrophobicContact CG-CE2 4.23Å; Q846-F848 HydrophobicContact CG-CZ 3.97Å; F848-P857 HydrophobicContact CB-CB 3.96Å; F848-P857 HydrophobicContact CG-CB 4.1Å; F848-G858 WeakPolarHBondContact CD1-O 3.46Å; F848-P860 HydrophobicContact CD1-CB 4.06Å; F848-P860 HydrophobicContact CE1-CB 3.92Å; F848-Y885 PolarHBondContact N-O 2.97Å; F848-Q887 HydrophobicContact CE2-CB 4.2Å; F848-Q887 HydrophobicContact CE2-CG 3.8Å; F848-Q887 HydrophobicContact CZ-CG 4.01Å
849	K	89.3	Confident	83.9	Confident	99 Å²	99	64 Å²	64	43%	0.43	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.4	142	172.1	-65.7	-175.8	177.9	-174.6	0	109.8	G858 N859 L861	K849-G858 WeakPolarHBondContact O-CA 3.45Å; K849-G858 PolarHBondContact O-N 2.84Å; K849-N859 PolarHBondContact N-O 3.14Å; K849-L861 HydrophobicContact CD-CD1 4.5Å; K849-L861 HydrophobicContact CG-CB 4.48Å; K849-L861 HydrophobicContact CG-CD1 4.03Å
850	S	82.6	Confident	83.6	Confident	13 Å²	13	60.1 Å²	60.1	9%	0.091	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	143.6	171.7	179.2	0	0	0	0	110.8	G852 F876	S850-G852 VanDerWaalsContact C-N 3.33Å; S850-G852 PolarHBondContact OG-N 3Å; S850-F876 WeakPolarHBondContact OG-CE2 3.33Å; S850-F876 WeakPolarHBondContact OG-CZ 3.34Å
851	Q	76.8	Confident	83.5	Confident	99 Å²	99	58.7 Å²	58.7	46%	0.463	29%	0.294	S	S	.	.			trans	-89.3	7.5	174.8	-65	-169.4	-6.4	0	0	113.7	Y853 R854	Q851-Y853 VanDerWaalsContact C-N 3.31Å; Q851-Y853 PolarHBondContact O-N 3.27Å; Q851-R854 HydrophobicContact CB-CB 4.27Å
852	G	65.4	Low	83.3	Confident	17 Å²	17	63 Å²	63	18%	0.175	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	68.7	-76.4	172.6	0	0	0	0	0	114.2	S850	S850-G852 VanDerWaalsContact C-N 3.33Å; S850-G852 PolarHBondContact OG-N 3Å
853	Y	60.4	Low	83.1	Confident	199 Å²	199	64.5 Å²	64.5	78%	0.78	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88	-29.2	-177.3	-85	-87.9	0	0	0	114	Q851	Q851-Y853 VanDerWaalsContact C-N 3.31Å; Q851-Y853 PolarHBondContact O-N 3.27Å
854	R	66	Low	83	Confident	193 Å²	193	66.7 Å²	66.7	73%	0.728	32%	0.322	S	S	*	.	S	Bend	trans	-92.6	129.4	172.2	-76.9	-170.3	-177	-173.8	1.4	109.3	Q851 G856	Q851-R854 HydrophobicContact CB-CB 4.27Å; R854-G856 PolarHBondContact O-N 2.92Å
855	D	71	Confident	83	Confident	124 Å²	124	67.3 Å²	67.3	66%	0.663	32%	0.322	S	S	*	.	S	Bend	trans	-69.8	113.8	172	-158.9	-25.1	0	0	0	109.2	K883 Y885	D855-K883 IonicContact OD1-NZ 3.22Å; D855-K883 PolarHBondContact OD1-NZ 3.21Å; D855-K883 IonicContact OD2-NZ 2.77Å; D855-K883 PolarHBondContact OD2-NZ 3.23Å; D855-Y885 PolarHBondContact OD1-OH 3.41Å
856	G	77.9	Confident	82.8	Confident	15 Å²	15	75.1 Å²	75.1	16%	0.155	36%	0.364	C	S	.	.	S	Bend	trans	149.9	165.1	175.9	0	0	0	0	0	115.2	R854 Y885	R854-G856 PolarHBondContact O-N 2.92Å; G856-Y885 VanDerWaalsContact C-CE2 3.48Å
857	P	85.6	Confident	82.7	Confident	43 Å²	43	75.5 Å²	75.5	28%	0.279	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	129.1	176.9	28.1	-33.2	0	0	0	110.9	K809 F848 Y885	K809-P857 HydrophobicContact CD-CB 4.13Å; K809-P857 HydrophobicContact CD-CG 3.97Å; K809-P857 HydrophobicContact CG-CB 4.5Å; K809-P857 HydrophobicContact CG-CG 4Å; F848-P857 HydrophobicContact CB-CB 3.96Å; F848-P857 HydrophobicContact CG-CB 4.1Å; P857-Y885 HydrophobicContact CB-CD1 4.38Å; P857-Y885 HydrophobicContact CB-CD2 4Å; P857-Y885 HydrophobicContact CB-CG 3.8Å; P857-Y885 HydrophobicContact CG-CG 4.41Å
858	G	85.8	Confident	82.7	Confident	9 Å²	9	77.3 Å²	77.3	9%	0.093	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	-147.5	169.7	0	0	0	0	0	113.1	F848 K849	F848-G858 WeakPolarHBondContact CD1-O 3.46Å; K849-G858 WeakPolarHBondContact O-CA 3.45Å; K849-G858 PolarHBondContact O-N 2.84Å
859	N	86.2	Confident	82.7	Confident	125 Å²	125	76.9 Å²	76.9	67%	0.668	38%	0.379	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-65.8	146	-179.9	-69.1	-23	0	0	0	111.3	K849 L861	K849-N859 PolarHBondContact N-O 3.14Å; N859-L861 PolarHBondContact O-N 3.45Å
860	P	87.9	Confident	82.8	Confident	75 Å²	75	78.9 Å²	78.9	49%	0.487	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.1	138.3	175	24.4	-32.8	0	0	0	110.7	Q846 F848	Q846-P860 HydrophobicContact CG-CB 4.34Å; F848-P860 HydrophobicContact CD1-CB 4.06Å; F848-P860 HydrophobicContact CE1-CB 3.92Å
861	L	89.4	Confident	83.2	Confident	6 Å²	6	81.4 Å²	81.4	3%	0.031	40%	0.396	C	S	.	.	P	Polyproline II helix	trans	-86.3	123	176.7	-175.2	65.3	0	0	0	109.2	Y827 Q846 F847 K849 N859 Y865 L872	Y827-L861 HydrophobicContact CD2-CD2 3.76Å; Y827-L861 HydrophobicContact CD2-CG 4.12Å; Y827-L861 HydrophobicContact CE2-CD2 3.94Å; Y827-L861 HydrophobicContact CE2-CG 4.12Å; Q846-L861 PolarHBondContact NE2-O 3.49Å; F847-L861 HydrophobicContact CB-CB 4.14Å; F847-L861 HydrophobicContact CB-CD2 4.24Å; F847-L861 PolarHBondContact O-N 3.21Å; K849-L861 HydrophobicContact CD-CD1 4.5Å; K849-L861 HydrophobicContact CG-CB 4.48Å; K849-L861 HydrophobicContact CG-CD1 4.03Å; N859-L861 PolarHBondContact O-N 3.45Å; L861-Y865 HydrophobicContact CD1-CD1 4.14Å; L861-Y865 HydrophobicContact CD1-CD2 3.85Å; L861-Y865 HydrophobicContact CD1-CE2 4.34Å; L861-Y865 HydrophobicContact CD1-CG 3.73Å; L861-Y865 HydrophobicContact CG-CG 4.44Å; L861-L872 HydrophobicContact CD1-CD2 3.7Å; L861-L872 HydrophobicContact CD2-CD1 3.56Å; L861-L872 HydrophobicContact CD2-CD2 3.89Å; L861-L872 HydrophobicContact CD2-CG 4.39Å; L861-L872 HydrophobicContact CG-CD2 4.47Å
862	R	85.2	Confident	83.8	Confident	165 Å²	165	77.5 Å²	77.5	62%	0.623	38%	0.378	S	S	*	.	P	Polyproline II helix	trans	-68.3	146.5	179.9	-60.6	-174	-177.7	-178.6	0.7	111.5	N864 Y865 E897	R862-N864 VanDerWaalsContact CB-OD1 3.29Å; R862-N864 WeakPolarHBondContact CB-OD1 3.47Å; R862-N864 PolarHBondContact O-N 2.7Å; R862-Y865 VanDerWaalsContact O-CB 3.28Å; R862-Y865 WeakPolarHBondContact O-CB 3.33Å; R862-Y865 PolarHBondContact O-N 2.82Å; R862-E897 VanDerWaalsContact CA-OE1 3.29Å; R862-E897 WeakPolarHBondContact CA-OE1 3.38Å
863	H	86.3	Confident	85	Confident	59 Å²	59	77.3 Å²	77.3	27%	0.273	37%	0.374	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-25.5	179.3	79	-75.6	0	0	0	113.9	Y827 Y865 I893 E897	Y827-H863 HydrophobicContact CD1-CB 4.42Å; Y827-H863 WeakPolarHBondContact CD1-O 3.36Å; Y827-H863 VanDerWaalsContact CE1-CA 3.5Å; Y827-H863 HydrophobicContact CE1-CB 3.81Å; H863-Y865 VanDerWaalsContact C-N 3.27Å; H863-Y865 PolarHBondContact O-N 3.12Å; H863-I893 HydrophobicContact CB-CD1 4.14Å; H863-I893 HydrophobicContact CB-CG1 4.35Å; H863-I893 HydrophobicContact CB-CG2 3.86Å; H863-E897 IonicContact CE1-OE2 3.33Å; H863-E897 PolarHBondContact CE1-OE2 2.95Å; H863-E897 IonicContact CG-OE1 3.2Å; H863-E897 IonicContact CG-OE2 2.95Å; H863-E897 PolarHBondContact N-OE1 3.46Å; H863-E897 VanDerWaalsContact ND1-CD 3.25Å; H863-E897 IonicContact ND1-OE1 3.33Å; H863-E897 PolarHBondContact ND1-OE1 3.38Å; H863-E897 IonicContact ND1-OE2 3.59Å; H863-E897 PolarHBondContact ND1-OE2 2.85Å
864	N	86.4	Confident	86.3	Confident	93 Å²	93	74.1 Å²	74.1	50%	0.497	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.8	25.4	176.2	72.2	-19.6	0	0	0	112.8	R862 D866	R862-N864 VanDerWaalsContact CB-OD1 3.29Å; R862-N864 WeakPolarHBondContact CB-OD1 3.47Å; R862-N864 PolarHBondContact O-N 2.7Å; N864-D866 PolarHBondContact O-N 3.44Å; N864-D866 VanDerWaalsContact O-N 3.14Å
865	Y	89.8	Confident	87	Confident	58 Å²	58	70.5 Å²	70.5	23%	0.227	36%	0.355	C	S	.	.			trans	-63.7	115.5	177.2	177.8	-111.8	0	0	0	110.9	L861 R862 H863 G867 D871 L872	L861-Y865 HydrophobicContact CD1-CD1 4.14Å; L861-Y865 HydrophobicContact CD1-CD2 3.85Å; L861-Y865 HydrophobicContact CD1-CE2 4.34Å; L861-Y865 HydrophobicContact CD1-CG 3.73Å; L861-Y865 HydrophobicContact CG-CG 4.44Å; R862-Y865 VanDerWaalsContact O-CB 3.28Å; R862-Y865 WeakPolarHBondContact O-CB 3.33Å; R862-Y865 PolarHBondContact O-N 2.82Å; H863-Y865 VanDerWaalsContact C-N 3.27Å; H863-Y865 PolarHBondContact O-N 3.12Å; Y865-G867 VanDerWaalsContact C-N 3.28Å; Y865-G867 PolarHBondContact O-N 2.87Å; Y865-D871 WeakPolarHBondContact OH-CB 3.01Å; Y865-L872 HydrophobicContact CD1-CD2 4.27Å; Y865-L872 HydrophobicContact CE1-CD1 4.18Å; Y865-L872 HydrophobicContact CE1-CD2 3.59Å; Y865-L872 HydrophobicContact CE1-CG 3.75Å; Y865-L872 HydrophobicContact CE2-CD2 4.41Å
866	D	88.1	Confident	87.6	Confident	164 Å²	164	65.6 Å²	65.6	88%	0.877	33%	0.328	S	S	*	.			trans	-75.5	-14.5	-176.8	-63.9	-44.7	0	0	0	113.9	N864	N864-D866 PolarHBondContact O-N 3.44Å; N864-D866 VanDerWaalsContact O-N 3.14Å
867	G	90.9	Very high	87.8	Confident	14 Å²	14	70 Å²	70	14%	0.144	34%	0.343	C	S	.	.	S	Bend	trans	-80.2	179.2	179.9	0	0	0	0	0	113.8	Y865	Y865-G867 VanDerWaalsContact C-N 3.28Å; Y865-G867 PolarHBondContact O-N 2.87Å
868	T	93.3	Very high	87.3	Confident	44 Å²	44	73.3 Å²	73.3	27%	0.27	37%	0.365	S	S	.	.	B	Isolated β-bridge	trans	-105.8	169.5	-179.5	64.1	0	0	0	0	111.9	N823 M825 R870 D871 L872	N823-T868 WeakPolarHBondContact O-CB 3.48Å; M825-T868 CarbonylContact O-C 3.53Å; M825-T868 WeakPolarHBondContact O-CA 3.46Å; T868-R870 PolarHBondContact O-N 2.88Å; T868-R870 PolarHBondContact OG1-N 2.91Å; T868-D871 PolarHBondContact N-OD2 3.04Å; T868-D871 WeakPolarHBondContact O-CB 3.37Å; T868-D871 PolarHBondContact O-N 3.43Å; T868-D871 VanDerWaalsContact O-N 3.1Å; T868-D871 PolarHBondContact OG1-OD2 2.95Å; T868-L872 PolarHBondContact O-N 2.84Å
869	L	92.8	Very high	86.8	Confident	0 Å²	0	81.8 Å²	81.8	0%	0	39%	0.394	C	S	.	.	H	α-helix	trans	-56.1	-35	172.2	-177.4	60.2	0	0	0	112.1	V802 V804 L821 M825 V830 D871 L872 L873 L884	V802-L869 HydrophobicContact CG1-CD2 3.67Å; V804-L869 HydrophobicContact CG2-CD2 4.18Å; L821-L869 HydrophobicContact CB-CD2 3.57Å; L821-L869 HydrophobicContact CD1-CD2 3.79Å; L821-L869 HydrophobicContact CG-CD2 4.35Å; M825-L869 PolarHBondContact O-N 3.17Å; V830-L869 HydrophobicContact CG2-CB 4.24Å; V830-L869 HydrophobicContact CG2-CD1 4.42Å; V830-L869 HydrophobicContact CG2-CD2 4.4Å; L869-D871 VanDerWaalsContact C-N 3.29Å; L869-D871 PolarHBondContact O-N 3.1Å; L869-L872 PolarHBondContact O-N 2.85Å; L869-L873 HydrophobicContact CD1-CD1 3.91Å; L869-L873 HydrophobicContact CD1-CG 4.01Å; L869-L873 HydrophobicContact CD2-CD1 4.34Å; L869-L873 HydrophobicContact CG-CD1 3.78Å; L869-L873 HydrophobicContact CG-CG 4.24Å; L869-L873 WeakPolarHBondContact O-CG 3.36Å; L869-L873 PolarHBondContact O-N 3.22Å; L869-L873 VanDerWaalsContact O-N 3.07Å; L869-L884 HydrophobicContact CD1-CD1 3.89Å
870	R	90.9	Very high	86.6	Confident	141 Å²	141	80 Å²	80	53%	0.532	38%	0.381	S	S	.	.	H	α-helix	trans	-56.3	-43.5	175.3	-170.7	-179.6	-178	-176	0.3	112.3	Y799 N823 T868 L872 L873 Q874	Y799-R870 PolarHBondContact OH-NH2 3.33Å; N823-R870 HydrophobicContact CB-CB 4.16Å; N823-R870 WeakPolarHBondContact O-CB 3.23Å; N823-R870 PolarHBondContact O-N 3.06Å; N823-R870 VanDerWaalsContact O-N 3.09Å; T868-R870 PolarHBondContact O-N 2.88Å; T868-R870 PolarHBondContact OG1-N 2.91Å; R870-L872 VanDerWaalsContact C-N 3.29Å; R870-L872 PolarHBondContact O-N 3.16Å; R870-L873 PolarHBondContact O-N 2.7Å; R870-Q874 PolarHBondContact O-N 2.85Å; R870-Q874 VanDerWaalsContact O-N 3.1Å
871	D	90.6	Very high	86.4	Confident	66 Å²	66	80.9 Å²	80.9	35%	0.353	39%	0.387	S	S	.	.	H	α-helix	trans	-68.3	-31.3	-178	-55.3	-50.9	0	0	0	111.7	Y865 T868 L869 Q874	Y865-D871 WeakPolarHBondContact OH-CB 3.01Å; T868-D871 PolarHBondContact N-OD2 3.04Å; T868-D871 WeakPolarHBondContact O-CB 3.37Å; T868-D871 PolarHBondContact O-N 3.43Å; T868-D871 VanDerWaalsContact O-N 3.1Å; T868-D871 PolarHBondContact OG1-OD2 2.95Å; L869-D871 VanDerWaalsContact C-N 3.29Å; L869-D871 PolarHBondContact O-N 3.1Å; D871-Q874 WeakPolarHBondContact O-CG 3.45Å
872	L	90.6	Very high	86.4	Confident	17 Å²	17	83.3 Å²	83.3	9%	0.089	40%	0.397	C	S	.	.	H	α-helix	trans	-73.3	-31.9	174.9	-61.2	176	0	0	0	112.5	L861 Y865 T868 L869 R870	L861-L872 HydrophobicContact CD1-CD2 3.7Å; L861-L872 HydrophobicContact CD2-CD1 3.56Å; L861-L872 HydrophobicContact CD2-CD2 3.89Å; L861-L872 HydrophobicContact CD2-CG 4.39Å; L861-L872 HydrophobicContact CG-CD2 4.47Å; Y865-L872 HydrophobicContact CD1-CD2 4.27Å; Y865-L872 HydrophobicContact CE1-CD1 4.18Å; Y865-L872 HydrophobicContact CE1-CD2 3.59Å; Y865-L872 HydrophobicContact CE1-CG 3.75Å; Y865-L872 HydrophobicContact CE2-CD2 4.41Å; T868-L872 PolarHBondContact O-N 2.84Å; L869-L872 PolarHBondContact O-N 2.85Å; R870-L872 VanDerWaalsContact C-N 3.29Å; R870-L872 PolarHBondContact O-N 3.16Å
873	L	90.1	Very high	86.7	Confident	14 Å²	14	77.7 Å²	77.7	7%	0.073	38%	0.377	C	S	.	.	H	α-helix	trans	-94.6	-4.1	-174.7	-62.7	-179.3	0	0	0	114.2	V802 V804 L869 R870 F875 F876 K882 L884	V802-L873 HydrophobicContact CG1-CD1 4.3Å; V802-L873 HydrophobicContact CG2-CD1 3.96Å; V804-L873 HydrophobicContact CG2-CD1 3.77Å; L869-L873 HydrophobicContact CD1-CD1 3.91Å; L869-L873 HydrophobicContact CD1-CG 4.01Å; L869-L873 HydrophobicContact CD2-CD1 4.34Å; L869-L873 HydrophobicContact CG-CD1 3.78Å; L869-L873 HydrophobicContact CG-CG 4.24Å; L869-L873 WeakPolarHBondContact O-CG 3.36Å; L869-L873 PolarHBondContact O-N 3.22Å; L869-L873 VanDerWaalsContact O-N 3.07Å; R870-L873 PolarHBondContact O-N 2.7Å; L873-F875 PolarHBondContact O-N 3.47Å; L873-F876 HydrophobicContact CB-CD2 4.39Å; L873-F876 HydrophobicContact CD2-CD2 3.94Å; L873-F876 HydrophobicContact CD2-CE2 3.93Å; L873-F876 WeakPolarHBondContact O-CB 3.34Å; L873-F876 PolarHBondContact O-N 3.1Å; L873-K882 HydrophobicContact CD1-CB 4.2Å; L873-K882 HydrophobicContact CD1-CG 4.24Å; L873-K882 HydrophobicContact CD2-CB 4.03Å; L873-K882 HydrophobicContact CD2-CG 4.47Å; L873-L884 HydrophobicContact CD2-CD1 4.39Å; L873-L884 HydrophobicContact CD2-CD2 4.22Å; L873-L884 HydrophobicContact CD2-CG 4.15Å
874	Q	86.8	Confident	87	Confident	132 Å²	132	75.1 Å²	75.1	62%	0.617	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.3	-23.8	-176.3	72	179.8	-4.5	0	0	114.9	R870 D871 F876	R870-Q874 PolarHBondContact O-N 2.85Å; R870-Q874 VanDerWaalsContact O-N 3.1Å; D871-Q874 WeakPolarHBondContact O-CG 3.45Å; Q874-F876 VanDerWaalsContact C-N 3.31Å
875	F	82.2	Confident	87.4	Confident	116 Å²	116	71.9 Å²	71.9	51%	0.509	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.5	-14.5	-179.6	-58.8	-72.1	0	0	0	113.3	L873	L873-F875 PolarHBondContact O-N 3.47Å
876	F	83.9	Confident	87.6	Confident	21 Å²	21	69.8 Å²	69.8	9%	0.092	34%	0.339	C	S	.	.	S	Bend	trans	-81.6	134.4	176.6	-69.7	-85.1	0	0	0	110.4	S850 L873 Q874 K882 K883	S850-F876 WeakPolarHBondContact OG-CE2 3.33Å; S850-F876 WeakPolarHBondContact OG-CZ 3.34Å; L873-F876 HydrophobicContact CB-CD2 4.39Å; L873-F876 HydrophobicContact CD2-CD2 3.94Å; L873-F876 HydrophobicContact CD2-CE2 3.93Å; L873-F876 WeakPolarHBondContact O-CB 3.34Å; L873-F876 PolarHBondContact O-N 3.1Å; Q874-F876 VanDerWaalsContact C-N 3.31Å; F876-K882 HydrophobicContact CB-CG 4.24Å; F876-K882 HydrophobicContact CG-CG 4.37Å; F876-K883 HydrophobicContact CE1-CG 3.7Å; F876-K883 WeakPolarHBondContact CE2-O 3.45Å; F876-K883 HydrophobicContact CZ-CG 3.73Å; F876-K883 WeakPolarHBondContact CZ-O 3.29Å
877	K	80.3	Confident	87.9	Confident	107 Å²	107	63.8 Å²	63.8	47%	0.465	31%	0.305	S	S	.	.			trans	-66.8	149.9	168.9	-65.3	-66.6	-176	178.6	0	109.6	R879 Q880	K877-R879 PolarHBondContact O-N 3.2Å; K877-R879 VanDerWaalsContact O-N 3.13Å; K877-Q880 HydrophobicContact CB-CB 4.47Å; K877-Q880 HydrophobicContact CB-CG 4.08Å; K877-Q880 PolarHBondContact O-N 2.77Å
878	P	76.2	Confident	87.8	Confident	113 Å²	113	68.2 Å²	68.2	73%	0.734	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52	-39.2	-179.5	-29.2	35.3	0	0	0	114.1	Q880 K882	P878-Q880 VanDerWaalsContact C-N 3.35Å; P878-K882 PolarHBondContact O-NZ 3.47Å
879	R	74.2	Confident	87.4	Confident	188 Å²	188	66.9 Å²	66.9	71%	0.709	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.7	-13.2	178.7	-62.3	-177.4	178.3	160.5	-1.4	114.8	K877	K877-R879 PolarHBondContact O-N 3.2Å; K877-R879 VanDerWaalsContact O-N 3.13Å
880	Q	82.3	Confident	86.6	Confident	86 Å²	86	77.3 Å²	77.3	40%	0.402	36%	0.359	S	S	.	.	S	Bend	trans	-85.2	136.9	179.9	-73.9	174.6	-12.4	0	0	110.1	K877 P878 K882	K877-Q880 HydrophobicContact CB-CB 4.47Å; K877-Q880 HydrophobicContact CB-CG 4.08Å; K877-Q880 PolarHBondContact O-N 2.77Å; P878-Q880 VanDerWaalsContact C-N 3.35Å; Q880-K882 VanDerWaalsContact O-CE 3.32Å; Q880-K882 WeakPolarHBondContact O-CE 3.34Å; Q880-K882 PolarHBondContact O-N 2.92Å; Q880-K882 PolarHBondContact O-NZ 3.35Å
881	P	83.9	Confident	86	Confident	94 Å²	94	74.1 Å²	74.1	61%	0.61	35%	0.351	S	S	*	.	P	Polyproline II helix	trans	-57.1	131.1	167.3	-22.3	32.8	0	0	0	109.8	I805	I805-P881 HydrophobicContact CD1-CB 3.89Å
882	K	90	Very high	85.5	Confident	57 Å²	57	76 Å²	76	25%	0.248	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	125.6	-177.1	-66.9	87.4	-168	163.2	0	107.3	V802 V804 I805 L873 F876 P878 Q880	V802-K882 HydrophobicContact CG2-CD 4.1Å; V802-K882 HydrophobicContact CG2-CG 4.31Å; V804-K882 WeakPolarHBondContact CA-O 3.32Å; V804-K882 HydrophobicContact CG2-CB 4.43Å; I805-K882 PolarHBondContact N-O 2.99Å; L873-K882 HydrophobicContact CD1-CB 4.2Å; L873-K882 HydrophobicContact CD1-CG 4.24Å; L873-K882 HydrophobicContact CD2-CB 4.03Å; L873-K882 HydrophobicContact CD2-CG 4.47Å; F876-K882 HydrophobicContact CB-CG 4.24Å; F876-K882 HydrophobicContact CG-CG 4.37Å; P878-K882 PolarHBondContact O-NZ 3.47Å; Q880-K882 VanDerWaalsContact O-CE 3.32Å; Q880-K882 WeakPolarHBondContact O-CE 3.34Å; Q880-K882 PolarHBondContact O-N 2.92Å; Q880-K882 PolarHBondContact O-NZ 3.35Å
883	K	91	Very high	84.8	Confident	47 Å²	47	75.2 Å²	75.2	20%	0.204	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	140.4	-179.2	61	175.5	170.9	-174	0	112.3	I805 D855 F876 Y885	I805-K883 HydrophobicContact CB-CB 4.16Å; I805-K883 CarbonylContact O-C 3.54Å; I805-K883 VanDerWaalsContact O-CA 3.25Å; I805-K883 WeakPolarHBondContact O-CA 3.38Å; D855-K883 IonicContact OD1-NZ 3.22Å; D855-K883 PolarHBondContact OD1-NZ 3.21Å; D855-K883 IonicContact OD2-NZ 2.77Å; D855-K883 PolarHBondContact OD2-NZ 3.23Å; F876-K883 HydrophobicContact CE1-CG 3.7Å; F876-K883 WeakPolarHBondContact CE2-O 3.45Å; F876-K883 HydrophobicContact CZ-CG 3.73Å; F876-K883 WeakPolarHBondContact CZ-O 3.29Å; K883-Y885 HydrophobicContact CD-CE2 4.44Å
884	L	93.4	Very high	84.1	Confident	6 Å²	6	76.5 Å²	76.5	3%	0.031	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	148.7	171.7	-69.8	178.9	0	0	0	109.2	V804 I805 F806 C807 L869 L873	V804-L884 HydrophobicContact CG1-CB 4.22Å; V804-L884 HydrophobicContact CG1-CD1 4.11Å; V804-L884 HydrophobicContact CG1-CG 3.96Å; I805-L884 PolarHBondContact O-N 3.18Å; F806-L884 WeakPolarHBondContact CA-O 3.34Å; F806-L884 HydrophobicContact CD1-CB 4.13Å; F806-L884 HydrophobicContact CE1-CB 3.91Å; F806-L884 HydrophobicContact CE1-CD1 4.13Å; F806-L884 HydrophobicContact CZ-CD1 4.32Å; C807-L884 PolarHBondContact N-O 2.8Å; L869-L884 HydrophobicContact CD1-CD1 3.89Å; L873-L884 HydrophobicContact CD2-CD1 4.39Å; L873-L884 HydrophobicContact CD2-CD2 4.22Å; L873-L884 HydrophobicContact CD2-CG 4.15Å
885	Y	94	Very high	83.2	Confident	25 Å²	25	74 Å²	74	10%	0.098	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	146.7	177.3	-62.8	-93.8	0	0	0	109.9	C807 F847 F848 D855 G856 P857 K883	C807-Y885 HydrophobicContact CB-CD1 3.74Å; C807-Y885 HydrophobicContact CB-CE1 3.85Å; C807-Y885 CarbonylContact O-C 3.54Å; C807-Y885 VanDerWaalsContact O-CA 3.25Å; C807-Y885 WeakPolarHBondContact O-CA 3.08Å; F847-Y885 CarbonylContact C-O 3.59Å; F847-Y885 WeakPolarHBondContact CA-O 3.46Å; F848-Y885 PolarHBondContact N-O 2.97Å; D855-Y885 PolarHBondContact OD1-OH 3.41Å; G856-Y885 VanDerWaalsContact C-CE2 3.48Å; P857-Y885 HydrophobicContact CB-CD1 4.38Å; P857-Y885 HydrophobicContact CB-CD2 4Å; P857-Y885 HydrophobicContact CB-CG 3.8Å; P857-Y885 HydrophobicContact CG-CG 4.41Å; K883-Y885 HydrophobicContact CD-CE2 4.44Å
886	Y	95.1	Very high	82.5	Confident	13 Å²	13	71.9 Å²	71.9	5%	0.051	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	169.4	173.4	78.3	-80.8	0	0	0	111.1	F806 C807 D808 K809 F817 L838 L845 Q846 Q888	F806-Y886 HydrophobicContact CB-CD1 3.92Å; F806-Y886 HydrophobicContact CB-CE1 4.04Å; F806-Y886 HydrophobicContact CD1-CD1 4.45Å; C807-Y886 WeakPolarHBondContact O-CD1 3.5Å; C807-Y886 PolarHBondContact O-N 3.36Å; D808-Y886 CarbonylContact C-O 3.56Å; D808-Y886 WeakPolarHBondContact CA-O 3.47Å; D808-Y886 HydrophobicContact CB-CE1 4.29Å; K809-Y886 PolarHBondContact N-O 2.92Å; F817-Y886 AromaticContact CE1-CE1 3.72Å; F817-Y886 HydrophobicContact CE1-CE1 3.72Å; F817-Y886 AromaticContact CE1-CZ 3.96Å; F817-Y886 HydrophobicContact CZ-CE1 4.3Å; L838-Y886 HydrophobicContact CD1-CD2 4.1Å; L838-Y886 HydrophobicContact CD1-CE1 4.47Å; L838-Y886 HydrophobicContact CD1-CE2 3.46Å; L838-Y886 VanDerWaalsContact CD1-CE2 3.46Å; L845-Y886 HydrophobicContact CD2-CD2 3.9Å; L845-Y886 HydrophobicContact CD2-CE2 4.26Å; Q846-Y886 CarbonylContact O-C 3.54Å; Q846-Y886 WeakPolarHBondContact O-CA 3.49Å; Y886-Q888 HydrophobicContact CE2-CG 4.25Å
887	Q	92.5	Very high	81.6	Confident	39 Å²	39	73.2 Å²	73.2	18%	0.182	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	152.5	164.4	68.2	-177.9	30.2	0	0	109.3	T810 Q846 F848 L889	T810-Q887 HydrophobicContact CG2-CB 4.16Å; Q846-Q887 HydrophobicContact CB-CG 3.86Å; Q846-Q887 HydrophobicContact CG-CG 4.35Å; Q846-Q887 PolarHBondContact N-O 3.43Å; Q846-Q887 PolarHBondContact O-N 3.07Å; F848-Q887 HydrophobicContact CE2-CB 4.2Å; F848-Q887 HydrophobicContact CE2-CG 3.8Å; F848-Q887 HydrophobicContact CZ-CG 4.01Å; Q887-L889 HydrophobicContact CG-CD2 4.32Å
888	Q	90.6	Very high	80.9	Confident	106 Å²	106	72.2 Å²	72.2	50%	0.495	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	135.8	171.6	-59.6	-168.3	21.5	0	0	111.1	L844 L845 Y886	L844-Q888 CarbonylContact O-C 3.48Å; L844-Q888 WeakPolarHBondContact O-CA 3.43Å; L845-Q888 HydrophobicContact CD2-CG 4.07Å; Y886-Q888 HydrophobicContact CE2-CG 4.25Å
889	L	83.4	Confident	80.6	Confident	17 Å²	17	71.3 Å²	71.3	9%	0.089	33%	0.33	C	S	.	.			trans	-99.3	151.6	177.3	-57.2	-179.8	0	0	0	110.6	L844 Q846 Q887 M891 I893 F896	L844-L889 PolarHBondContact O-N 3.39Å; Q846-L889 HydrophobicContact CB-CD1 4.09Å; Q846-L889 HydrophobicContact CB-CD2 3.89Å; Q846-L889 HydrophobicContact CB-CG 4.03Å; Q887-L889 HydrophobicContact CG-CD2 4.32Å; L889-M891 WeakPolarHBondContact CB-O 3.2Å; L889-I893 HydrophobicContact CD1-CB 3.86Å; L889-I893 HydrophobicContact CD1-CG1 4.16Å; L889-F896 HydrophobicContact CD1-CB 4.25Å; L889-F896 HydrophobicContact CD1-CD1 4.24Å; L889-F896 HydrophobicContact CD1-CG 4.22Å; L889-F896 HydrophobicContact CD2-CD1 4.35Å; L889-F896 HydrophobicContact CD2-CE1 4.29Å; L889-F896 HydrophobicContact CD2-CG 4.5Å; L889-F896 HydrophobicContact CD2-CZ 4.39Å
890	K	77.4	Confident	80.5	Confident	219 Å²	219	65.8 Å²	65.8	95%	0.952	31%	0.309	S	S	*	.	S	Bend	trans	-85.8	-10.7	172.3	-63.7	-177.4	180	179.6	0	113.3
891	M	77.5	Confident	80.4	Confident	73 Å²	73	65 Å²	65	36%	0.36	31%	0.313	S	S	.	.	S	Bend	trans	-141.3	163.2	-179.9	64.9	-179.9	67.1	0	0	109.7	L844 L889 F896	L844-M891 VanDerWaalsContact CD2-C 3.49Å; L844-M891 WeakPolarHBondContact CD2-O 3.44Å; L889-M891 WeakPolarHBondContact CB-O 3.2Å; M891-F896 HydrophobicContact CG-CB 4.23Å; M891-F896 HydrophobicContact CG-CD2 4.3Å; M891-F896 HydrophobicContact SD-CB 4.5Å; M891-F896 HydrophobicContact SD-CD2 4.29Å
892	K	79.8	Confident	80.4	Confident	107 Å²	107	60.9 Å²	60.9	47%	0.465	29%	0.286	S	S	.	.			trans	-62.5	140.9	-177.4	-66.5	-177.5	177.6	-179.7	0	111.3	M843 T894 D895 F896	M843-K892 HydrophobicContact CB-CB 4.21Å; M843-K892 HydrophobicContact CB-CG 4.1Å; M843-K892 CarbonylContact O-C 3.57Å; M843-K892 WeakPolarHBondContact O-CA 3.43Å; K892-T894 PolarHBondContact O-N 3.29Å; K892-D895 PolarHBondContact O-N 2.86Å; K892-F896 WeakPolarHBondContact O-CB 3.43Å; K892-F896 PolarHBondContact O-N 2.92Å
893	I	76.6	Confident	80.4	Confident	0 Å²	0	64.2 Å²	64.2	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-60.4	-32.3	-178.7	-169.2	166.5	0	0	0	112.3	Y827 M843 L845 Q846 H863 L889 D895 F896 E897	Y827-I893 WeakPolarHBondContact OH-CD1 3.32Å; M843-I893 HydrophobicContact CB-CG2 4.43Å; M843-I893 WeakPolarHBondContact O-CB 3.22Å; M843-I893 PolarHBondContact O-N 3.2Å; M843-I893 HydrophobicContact SD-CG2 3.85Å; L845-I893 WeakPolarHBondContact O-CD1 3.46Å; Q846-I893 HydrophobicContact CB-CD1 4.42Å; Q846-I893 VanDerWaalsContact OE1-CD1 3.31Å; H863-I893 HydrophobicContact CB-CD1 4.14Å; H863-I893 HydrophobicContact CB-CG1 4.35Å; H863-I893 HydrophobicContact CB-CG2 3.86Å; L889-I893 HydrophobicContact CD1-CB 3.86Å; L889-I893 HydrophobicContact CD1-CG1 4.16Å; I893-D895 VanDerWaalsContact C-N 3.29Å; I893-D895 PolarHBondContact O-N 2.79Å; I893-F896 PolarHBondContact O-N 2.88Å; I893-E897 WeakPolarHBondContact CD1-OE1 3.45Å; I893-E897 HydrophobicContact CG1-CG 3.95Å; I893-E897 WeakPolarHBondContact CG1-OE1 3.23Å; I893-E897 VanDerWaalsContact O-CB 3.31Å; I893-E897 WeakPolarHBondContact O-CB 3.41Å; I893-E897 VanDerWaalsContact O-CG 3.3Å; I893-E897 WeakPolarHBondContact O-CG 3.42Å; I893-E897 PolarHBondContact O-N 2.66Å
894	T	74.4	Confident	80.4	Confident	41 Å²	41	62.2 Å²	62.2	25%	0.252	29%	0.292	S	S	.	.	H	α-helix	trans	-60.3	-40.5	173.8	52.8	0	0	0	0	112.1	M843 K892 N898	M843-T894 HydrophobicContact SD-CG2 4.35Å; K892-T894 PolarHBondContact O-N 3.29Å; T894-N898 PolarHBondContact O-ND2 2.79Å
895	D	68.9	Low	80.4	Confident	80 Å²	80	63.2 Å²	63.2	43%	0.428	30%	0.297	S	S	.	.	H	α-helix	trans	-81.2	-34.2	-179.4	-54.2	-22.2	0	0	0	110.1	K892 I893 R899	K892-D895 PolarHBondContact O-N 2.86Å; I893-D895 VanDerWaalsContact C-N 3.29Å; I893-D895 PolarHBondContact O-N 2.79Å; D895-R899 WeakPolarHBondContact O-CB 3.15Å; D895-R899 WeakPolarHBondContact O-CD 3.42Å; D895-R899 WeakPolarHBondContact O-CG 3.49Å; D895-R899 PolarHBondContact O-N 2.79Å
896	F	66.6	Low	80.4	Confident	71 Å²	71	62.5 Å²	62.5	31%	0.311	29%	0.294	S	S	.	.	H	α-helix	trans	-67.5	-41.4	176.8	-173.8	-101.1	0	0	0	112.6	L889 M891 K892 I893 R899	L889-F896 HydrophobicContact CD1-CB 4.25Å; L889-F896 HydrophobicContact CD1-CD1 4.24Å; L889-F896 HydrophobicContact CD1-CG 4.22Å; L889-F896 HydrophobicContact CD2-CD1 4.35Å; L889-F896 HydrophobicContact CD2-CE1 4.29Å; L889-F896 HydrophobicContact CD2-CG 4.5Å; L889-F896 HydrophobicContact CD2-CZ 4.39Å; M891-F896 HydrophobicContact CG-CB 4.23Å; M891-F896 HydrophobicContact CG-CD2 4.3Å; M891-F896 HydrophobicContact SD-CB 4.5Å; M891-F896 HydrophobicContact SD-CD2 4.29Å; K892-F896 WeakPolarHBondContact O-CB 3.43Å; K892-F896 PolarHBondContact O-N 2.92Å; I893-F896 PolarHBondContact O-N 2.88Å; F896-R899 PolarHBondContact O-N 2.67Å; F896-R899 VanDerWaalsContact O-O 3.12Å
897	E	66.1	Low	80.2	Confident	48 Å²	48	62.2 Å²	62.2	22%	0.224	29%	0.294	C	S	.	.	H	α-helix	trans	-71.9	-29.4	179.9	-76.3	-178.1	-168.6	0	0	113.3	R862 H863 I893 R899	R862-E897 VanDerWaalsContact CA-OE1 3.29Å; R862-E897 WeakPolarHBondContact CA-OE1 3.38Å; H863-E897 IonicContact CE1-OE2 3.33Å; H863-E897 PolarHBondContact CE1-OE2 2.95Å; H863-E897 IonicContact CG-OE1 3.2Å; H863-E897 IonicContact CG-OE2 2.95Å; H863-E897 PolarHBondContact N-OE1 3.46Å; H863-E897 VanDerWaalsContact ND1-CD 3.25Å; H863-E897 IonicContact ND1-OE1 3.33Å; H863-E897 PolarHBondContact ND1-OE1 3.38Å; H863-E897 IonicContact ND1-OE2 3.59Å; H863-E897 PolarHBondContact ND1-OE2 2.85Å; I893-E897 WeakPolarHBondContact CD1-OE1 3.45Å; I893-E897 HydrophobicContact CG1-CG 3.95Å; I893-E897 WeakPolarHBondContact CG1-OE1 3.23Å; I893-E897 VanDerWaalsContact O-CB 3.31Å; I893-E897 WeakPolarHBondContact O-CB 3.41Å; I893-E897 VanDerWaalsContact O-CG 3.3Å; I893-E897 WeakPolarHBondContact O-CG 3.42Å; I893-E897 PolarHBondContact O-N 2.66Å; E897-R899 VanDerWaalsContact C-N 3.3Å
898	N	64.4	Low	79.9	Confident	86 Å²	86	61.5 Å²	61.5	46%	0.46	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.6	-9	175.4	-70	-26.2	0	0	0	112.7	T894 D921 K922	T894-N898 PolarHBondContact O-ND2 2.79Å; N898-D921 WeakPolarHBondContact O-CA 3.19Å; N898-K922 WeakPolarHBondContact O-CB 3.49Å; N898-K922 PolarHBondContact O-N 2.76Å
899	R	69.7	Low	79.4	Confident	95 Å²	95	60.9 Å²	60.9	36%	0.358	30%	0.298	S	S	.	.	B	Isolated β-bridge	trans	-100.3	134.8	176.8	-73.9	174.7	179.1	-115.2	7.4	111.1	D895 F896 E897 Y919 P920 E932	D895-R899 WeakPolarHBondContact O-CB 3.15Å; D895-R899 WeakPolarHBondContact O-CD 3.42Å; D895-R899 WeakPolarHBondContact O-CG 3.49Å; D895-R899 PolarHBondContact O-N 2.79Å; F896-R899 PolarHBondContact O-N 2.67Å; F896-R899 VanDerWaalsContact O-O 3.12Å; E897-R899 VanDerWaalsContact C-N 3.3Å; R899-Y919 VanDerWaalsContact CD-O 3.29Å; R899-Y919 WeakPolarHBondContact CD-O 3.41Å; R899-Y919 WeakPolarHBondContact CG-O 3.43Å; R899-Y919 PolarHBondContact NH1-O 3Å; R899-P920 CarbonylContact C-O 3.55Å; R899-P920 WeakPolarHBondContact CA-O 3.45Å; R899-E932 IonicContact NH1-OE2 2.77Å; R899-E932 PolarHBondContact NH1-OE2 2.83Å; R899-E932 VanDerWaalsContact NH1-OE2 3.1Å
900	R	73.4	Confident	79.3	Confident	72 Å²	72	66.2 Å²	66.2	27%	0.272	32%	0.323	S	S	.	.	P	Polyproline II helix	trans	-95	130.4	173	176.4	178.8	174.2	-171.9	-1.6	108.5	F902 Y919 P920 K922 L967	R900-F902 PolarHBondContact O-N 3.13Å; R900-Y919 WeakPolarHBondContact O-CA 3.04Å; R900-P920 PolarHBondContact N-O 2.99Å; R900-P920 WeakPolarHBondContact O-CD 3.36Å; R900-K922 HydrophobicContact CB-CB 4.23Å; R900-K922 HydrophobicContact CB-CG 4.3Å; R900-L967 PolarHBondContact NH1-O 2.71Å
901	S	79.9	Confident	79.5	Confident	70 Å²	70	58.2 Å²	58.2	49%	0.49	29%	0.288	S	S	.	.	P	Polyproline II helix	trans	-67.3	117.5	164.9	-177.4	0	0	0	0	108.7	T917	S901-T917 WeakPolarHBondContact OG-CG2 3.49Å
902	F	84.3	Confident	79.7	Confident	7 Å²	7	62.4 Å²	62.4	3%	0.031	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	102.7	177.7	-161.2	-80.7	0	0	0	108.5	R900 C904 L918 P920 L929 L970 F978	R900-F902 PolarHBondContact O-N 3.13Å; F902-C904 HydrophobicContact CD1-CB 4.01Å; F902-C904 HydrophobicContact CE1-CB 3.88Å; F902-L918 PolarHBondContact N-O 2.93Å; F902-L918 PolarHBondContact O-N 3.46Å; F902-P920 HydrophobicContact CB-CG 4.23Å; F902-L929 HydrophobicContact CB-CD1 4.01Å; F902-L929 HydrophobicContact CD1-CD1 3.76Å; F902-L929 HydrophobicContact CD1-CD2 3.82Å; F902-L929 HydrophobicContact CD1-CG 4.47Å; F902-L929 HydrophobicContact CE1-CD1 4.44Å; F902-L929 HydrophobicContact CE1-CD2 3.65Å; F902-L929 HydrophobicContact CE2-CD2 4.37Å; F902-L929 HydrophobicContact CG-CD1 3.91Å; F902-L929 HydrophobicContact CG-CD2 4.25Å; F902-L929 HydrophobicContact CZ-CD2 3.95Å; F902-L970 HydrophobicContact CE2-CD1 3.77Å; F902-L970 HydrophobicContact CZ-CD1 3.84Å; F902-F978 HydrophobicContact CE1-CB 3.86Å; F902-F978 HydrophobicContact CE1-CD2 4.1Å; F902-F978 HydrophobicContact CE1-CG 4.06Å; F902-F978 HydrophobicContact CZ-CB 4.1Å; F902-F978 HydrophobicContact CZ-CD1 4.38Å; F902-F978 AromaticContact CZ-CD2 3.62Å; F902-F978 HydrophobicContact CZ-CD2 3.62Å; F902-F978 HydrophobicContact CZ-CE2 4.15Å; F902-F978 AromaticContact CZ-CG 3.76Å; F902-F978 HydrophobicContact CZ-CG 3.76Å
903	K	88.4	Confident	80	Confident	126 Å²	126	61.3 Å²	61.3	55%	0.548	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	123.2	177.4	-169.8	178.5	-178.8	-175.1	0	109.3	E915	K903-E915 WeakPolarHBondContact CE-OE2 3.26Å; K903-E915 IonicContact NZ-OE1 2.85Å; K903-E915 IonicContact NZ-OE2 3.18Å; K903-E915 PolarHBondContact NZ-OE2 2.92Å
904	C	91.4	Very high	80.5	Confident	6 Å²	6	66 Å²	66	4%	0.041	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	177	-179.5	59.9	0	0	0	0	111.3	F902 I916 F978	F902-C904 HydrophobicContact CD1-CB 4.01Å; F902-C904 HydrophobicContact CE1-CB 3.88Å; C904-I916 PolarHBondContact N-O 2.84Å; C904-I916 PolarHBondContact O-N 2.9Å; C904-F978 WeakPolarHBondContact CA-O 3.38Å; C904-F978 HydrophobicContact CB-CB 4.01Å; C904-F978 VanDerWaalsContact CB-O 3.27Å; C904-F978 WeakPolarHBondContact CB-O 3.31Å
905	I	93.7	Very high	81.1	Confident	26 Å²	26	70.4 Å²	70.4	13%	0.133	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	138.3	174.7	-56.1	-57.4	0	0	0	109.2	E913 E914 E915 T977 F978 R979 I980	I905-E913 HydrophobicContact CG2-CB 3.58Å; I905-E913 HydrophobicContact CG2-CG 3.68Å; I905-E914 CarbonylContact C-O 3.48Å; I905-E914 WeakPolarHBondContact CA-O 3.33Å; I905-E915 HydrophobicContact CD1-CG 3.8Å; I905-T977 HydrophobicContact CG1-CG2 3.77Å; I905-F978 PolarHBondContact N-O 3.5Å; I905-R979 HydrophobicContact CB-CB 4.22Å; I905-R979 HydrophobicContact CB-CG 3.93Å; I905-R979 HydrophobicContact CG2-CG 3.95Å; I905-R979 CarbonylContact O-C 3.55Å; I905-R979 VanDerWaalsContact O-CA 3.24Å; I905-R979 WeakPolarHBondContact O-CA 3.44Å; I905-R979 WeakPolarHBondContact O-CG 3.39Å; I905-I980 PolarHBondContact O-N 2.81Å
906	W	93.9	Very high	82.1	Confident	11 Å²	11	67.9 Å²	67.9	4%	0.042	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	127	167.5	167	-115.1	0	0	0	108.8	E913 E914 I916 V937 L939 L947 I980 E982	W906-E913 WeakPolarHBondContact O-CA 3.24Å; W906-E914 PolarHBondContact N-O 3.24Å; W906-E914 PolarHBondContact O-N 3.17Å; W906-I916 HydrophobicContact CB-CB 4.4Å; W906-I916 HydrophobicContact CB-CG2 3.99Å; W906-V937 HydrophobicContact CD2-CB 4.49Å; W906-V937 HydrophobicContact CD2-CG1 3.99Å; W906-V937 HydrophobicContact CD2-CG2 4.39Å; W906-V937 HydrophobicContact CG-CG1 4.09Å; W906-V937 HydrophobicContact CH2-CG2 3.77Å; W906-V937 HydrophobicContact CZ2-CB 4.09Å; W906-V937 HydrophobicContact CZ2-CG1 4.47Å; W906-V937 HydrophobicContact CZ2-CG2 3.58Å; W906-V937 HydrophobicContact CZ3-CG2 4.23Å; W906-L939 HydrophobicContact CH2-CD2 3.96Å; W906-L939 HydrophobicContact CZ2-CD2 4.45Å; W906-L947 HydrophobicContact CH2-CD2 3.86Å; W906-L947 HydrophobicContact CZ3-CD1 4.26Å; W906-L947 HydrophobicContact CZ3-CD2 3.85Å; W906-I980 WeakPolarHBondContact CA-O 3.27Å; W906-I980 HydrophobicContact CE3-CB 4.21Å; W906-I980 HydrophobicContact CE3-CG2 3.98Å; W906-I980 HydrophobicContact CZ3-CG2 3.95Å; W906-E982 HydrophobicContact CH2-CB 4.39Å
907	L	91.6	Very high	83	Confident	7 Å²	7	67.3 Å²	67.3	4%	0.037	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	112.6	171.5	-166.6	73.8	0	0	0	109	F911 R912 E913 R979 I980 E981 I1013	L907-F911 HydrophobicContact CD2-CD2 4.24Å; L907-F911 HydrophobicContact CD2-CE2 4.17Å; L907-F911 HydrophobicContact CD2-CG 4.46Å; L907-F911 HydrophobicContact CD2-CZ 4.34Å; L907-R912 WeakPolarHBondContact CA-O 3.48Å; L907-E913 HydrophobicContact CD1-CG 3.78Å; L907-R979 HydrophobicContact CB-CG 4.37Å; L907-I980 PolarHBondContact N-O 2.99Å; L907-E981 HydrophobicContact CB-CB 3.76Å; L907-E981 HydrophobicContact CD2-CB 4.3Å; L907-E981 WeakPolarHBondContact CD2-OE2 3.46Å; L907-I1013 HydrophobicContact CD1-CG2 3.9Å
908	N	86.3	Confident	84	Confident	24 Å²	24	65.4 Å²	65.4	13%	0.128	32%	0.316	C	S	.	.			trans	-78.7	172.6	-178.9	72.1	19.9	0	0	0	112.3	Q910 F911 R912 E914	N908-Q910 PolarHBondContact O-N 3.01Å; N908-Q910 VanDerWaalsContact O-N 3.08Å; N908-Q910 WeakPolarHBondContact OD1-CA 3.4Å; N908-Q910 WeakPolarHBondContact OD1-CB 3.37Å; N908-Q910 PolarHBondContact OD1-N 2.9Å; N908-F911 PolarHBondContact O-N 2.92Å; N908-F911 PolarHBondContact OD1-N 3.1Å; N908-R912 PolarHBondContact N-O 3.34Å; N908-R912 PolarHBondContact OD1-N 3.12Å; N908-R912 PolarHBondContact OD1-O 2.91Å; N908-E914 PolarHBondContact ND2-OE1 2.9Å
909	S	80.8	Confident	84.8	Confident	92 Å²	92	65.8 Å²	65.8	64%	0.643	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62	-16	-179.1	56.3	0	0	0	0	114.7	F911	S909-F911 VanDerWaalsContact C-N 3.31Å
910	Q	80.1	Confident	85.5	Confident	129 Å²	129	61.4 Å²	61.4	60%	0.603	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.2	12	175.7	-59.8	170.9	5.2	0	0	112.3	N908 R912	N908-Q910 PolarHBondContact O-N 3.01Å; N908-Q910 VanDerWaalsContact O-N 3.08Å; N908-Q910 WeakPolarHBondContact OD1-CA 3.4Å; N908-Q910 WeakPolarHBondContact OD1-CB 3.37Å; N908-Q910 PolarHBondContact OD1-N 2.9Å; Q910-R912 VanDerWaalsContact C-N 3.31Å; Q910-R912 HydrophobicContact CB-CG 4.43Å; Q910-R912 PolarHBondContact O-N 2.94Å
911	F	81.3	Confident	85.7	Confident	52 Å²	52	61.6 Å²	61.6	23%	0.228	30%	0.302	C	S	.	.	S	Bend	trans	62.1	34.6	-179.6	-126.8	-104.7	0	0	0	113.8	L907 N908 S909 I1013 F1015 M1035	L907-F911 HydrophobicContact CD2-CD2 4.24Å; L907-F911 HydrophobicContact CD2-CE2 4.17Å; L907-F911 HydrophobicContact CD2-CG 4.46Å; L907-F911 HydrophobicContact CD2-CZ 4.34Å; N908-F911 PolarHBondContact O-N 2.92Å; N908-F911 PolarHBondContact OD1-N 3.1Å; S909-F911 VanDerWaalsContact C-N 3.31Å; F911-I1013 HydrophobicContact CE1-CG2 4.49Å; F911-F1015 HydrophobicContact CE1-CB 3.81Å; F911-F1015 AromaticContact CE1-CD1 3.95Å; F911-F1015 HydrophobicContact CE1-CD1 3.95Å; F911-F1015 AromaticContact CE1-CG 3.97Å; F911-F1015 HydrophobicContact CE1-CG 3.97Å; F911-F1015 HydrophobicContact CZ-CB 3.44Å; F911-F1015 VanDerWaalsContact CZ-CB 3.44Å; F911-F1015 HydrophobicContact CZ-CD1 4.25Å; F911-F1015 HydrophobicContact CZ-CD2 4.37Å; F911-F1015 AromaticContact CZ-CG 3.8Å; F911-F1015 HydrophobicContact CZ-CG 3.8Å; F911-M1035 HydrophobicContact CE2-CE 3.84Å; F911-M1035 HydrophobicContact CZ-CE 3.71Å
912	R	81.5	Confident	85.2	Confident	160 Å²	160	63.3 Å²	63.3	60%	0.604	30%	0.301	S	S	*	.			trans	-112.5	140.7	177.5	-59.4	-178.7	179.7	-178.6	1.1	111.5	L907 N908 Q910	L907-R912 WeakPolarHBondContact CA-O 3.48Å; N908-R912 PolarHBondContact N-O 3.34Å; N908-R912 PolarHBondContact OD1-N 3.12Å; N908-R912 PolarHBondContact OD1-O 2.91Å; Q910-R912 VanDerWaalsContact C-N 3.31Å; Q910-R912 HydrophobicContact CB-CG 4.43Å; Q910-R912 PolarHBondContact O-N 2.94Å
913	E	86	Confident	84.8	Confident	84 Å²	84	68.9 Å²	68.9	39%	0.393	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	128.2	179	-69.8	-172.4	154.3	0	0	111.6	I905 W906 L907 R979 I1013	I905-E913 HydrophobicContact CG2-CB 3.58Å; I905-E913 HydrophobicContact CG2-CG 3.68Å; W906-E913 WeakPolarHBondContact O-CA 3.24Å; L907-E913 HydrophobicContact CD1-CG 3.78Å; E913-R979 IonicContact OE1-NH1 3.09Å; E913-R979 PolarHBondContact OE1-NH1 2.88Å; E913-I1013 HydrophobicContact CG-CD1 4.07Å; E913-I1013 HydrophobicContact CG-CG1 4.15Å; E913-I1013 HydrophobicContact CG-CG2 4.29Å
914	E	87.9	Confident	84.5	Confident	98 Å²	98	63.1 Å²	63.1	46%	0.458	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	134.4	175.7	-66.9	175.7	-164.7	0	0	109.6	I905 W906 N908 I916	I905-E914 CarbonylContact C-O 3.48Å; I905-E914 WeakPolarHBondContact CA-O 3.33Å; W906-E914 PolarHBondContact N-O 3.24Å; W906-E914 PolarHBondContact O-N 3.17Å; N908-E914 PolarHBondContact ND2-OE1 2.9Å; E914-I916 PolarHBondContact O-N 3.48Å
915	E	87.9	Confident	84.3	Confident	134 Å²	134	63.8 Å²	63.8	63%	0.626	31%	0.308	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.2	126.3	173.9	-77.4	-170.8	-168.4	0	0	110.1	K903 I905	K903-E915 WeakPolarHBondContact CE-OE2 3.26Å; K903-E915 IonicContact NZ-OE1 2.85Å; K903-E915 IonicContact NZ-OE2 3.18Å; K903-E915 PolarHBondContact NZ-OE2 2.92Å; I905-E915 HydrophobicContact CD1-CG 3.8Å
916	I	88.9	Confident	84.1	Confident	27 Å²	27	62.6 Å²	62.6	14%	0.138	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	142	176.9	-164.2	166.4	0	0	0	110.7	C904 W906 E914 L918 A936 V937	C904-I916 PolarHBondContact N-O 2.84Å; C904-I916 PolarHBondContact O-N 2.9Å; W906-I916 HydrophobicContact CB-CB 4.4Å; W906-I916 HydrophobicContact CB-CG2 3.99Å; E914-I916 PolarHBondContact O-N 3.48Å; I916-L918 HydrophobicContact CD1-CD2 3.8Å; I916-L918 HydrophobicContact CD1-CG 4.47Å; I916-L918 HydrophobicContact CG1-CD2 3.89Å; I916-L918 HydrophobicContact CG1-CG 4.24Å; I916-L918 HydrophobicContact CG2-CG 4.41Å; I916-A936 HydrophobicContact CD1-CB 3.95Å; I916-V937 HydrophobicContact CD1-CG1 3.69Å
917	T	86.6	Confident	84	Confident	60 Å²	60	67.1 Å²	67.1	37%	0.368	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	113.6	174	-57.1	0	0	0	0	108.7	S901 Y919	S901-T917 WeakPolarHBondContact OG-CG2 3.49Å; T917-Y919 HydrophobicContact CG2-CE2 4.09Å
918	L	86.6	Confident	83.8	Confident	7 Å²	7	70 Å²	70	4%	0.037	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	158.6	-178.3	-59.3	174	0	0	0	110.2	F902 I916 P920 L929 C933 A936 I980	F902-L918 PolarHBondContact N-O 2.93Å; F902-L918 PolarHBondContact O-N 3.46Å; I916-L918 HydrophobicContact CD1-CD2 3.8Å; I916-L918 HydrophobicContact CD1-CG 4.47Å; I916-L918 HydrophobicContact CG1-CD2 3.89Å; I916-L918 HydrophobicContact CG1-CG 4.24Å; I916-L918 HydrophobicContact CG2-CG 4.41Å; L918-P920 VanDerWaalsContact C-CD 3.42Å; L918-L929 HydrophobicContact CB-CD1 3.94Å; L918-L929 HydrophobicContact CD1-CD1 3.62Å; L918-L929 HydrophobicContact CD1-CG 4.44Å; L918-L929 HydrophobicContact CG-CD1 4.42Å; L918-C933 HydrophobicContact CD1-CB 3.6Å; L918-A936 HydrophobicContact CD2-CB 3.94Å; L918-I980 HydrophobicContact CD1-CD1 3.71Å
919	Y	81.8	Confident	84.1	Confident	95 Å²	95	68.9 Å²	68.9	37%	0.373	33%	0.328	S	S	.	.			trans	-129.1	62	-178.3	-62.4	-88.3	0	0	0	111.4	R899 R900 T917	R899-Y919 VanDerWaalsContact CD-O 3.29Å; R899-Y919 WeakPolarHBondContact CD-O 3.41Å; R899-Y919 WeakPolarHBondContact CG-O 3.43Å; R899-Y919 PolarHBondContact NH1-O 3Å; R900-Y919 WeakPolarHBondContact O-CA 3.04Å; T917-Y919 HydrophobicContact CG2-CE2 4.09Å
920	P	83.9	Confident	84.7	Confident	2 Å²	2	65 Å²	65	1%	0.013	30%	0.3	C	S	.	.			trans	-69.9	166.8	174.9	33.6	-40.3	0	0	0	112.1	R899 R900 F902 L918 K922 L929 L967	R899-P920 CarbonylContact C-O 3.55Å; R899-P920 WeakPolarHBondContact CA-O 3.45Å; R900-P920 PolarHBondContact N-O 2.99Å; R900-P920 WeakPolarHBondContact O-CD 3.36Å; F902-P920 HydrophobicContact CB-CG 4.23Å; L918-P920 VanDerWaalsContact C-CD 3.42Å; P920-K922 PolarHBondContact O-N 2.79Å; P920-L929 HydrophobicContact CB-CB 4.44Å; P920-L929 HydrophobicContact CG-CB 4.46Å; P920-L929 HydrophobicContact CG-CD1 3.92Å; P920-L967 HydrophobicContact CB-CD1 3.76Å; P920-L967 HydrophobicContact CG-CD1 3.62Å
921	D	77.4	Confident	85.2	Confident	77 Å²	77	63.4 Å²	63.4	41%	0.412	29%	0.293	S	S	.	.	B	Isolated β-bridge	trans	-58	134.6	169.3	-167.3	-44.4	0	0	0	110.1	N898 H923 G924	N898-D921 WeakPolarHBondContact O-CA 3.19Å; D921-H923 PolarHBondContact O-N 3.13Å; D921-H923 PolarHBondContact OD1-N 3.39Å; D921-H923 IonicContact OD1-ND1 4Å; D921-G924 PolarHBondContact O-N 3.22Å
922	K	69.4	Low	85.5	Confident	105 Å²	105	63 Å²	63	46%	0.457	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-31.7	-179.3	-172.5	-178.2	177.8	-166.6	0	112.9	N898 R900 P920	N898-K922 WeakPolarHBondContact O-CB 3.49Å; N898-K922 PolarHBondContact O-N 2.76Å; R900-K922 HydrophobicContact CB-CB 4.23Å; R900-K922 HydrophobicContact CB-CG 4.3Å; P920-K922 PolarHBondContact O-N 2.79Å
923	H	76.1	Confident	86	Confident	124 Å²	124	55.3 Å²	55.3	57%	0.574	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.8	9.7	176.4	-47.2	96.6	0	0	0	112.3	D921	D921-H923 PolarHBondContact O-N 3.13Å; D921-H923 PolarHBondContact OD1-N 3.39Å; D921-H923 IonicContact OD1-ND1 4Å
924	G	81	Confident	86.2	Confident	6 Å²	6	54.4 Å²	54.4	6%	0.062	26%	0.257	C	S	.	.			trans	-67.5	172.4	176	0	0	0	0	0	112.6	D921 D928 L967	D921-G924 PolarHBondContact O-N 3.22Å; G924-D928 WeakPolarHBondContact CA-OD2 3.46Å; G924-L967 WeakPolarHBondContact O-CB 3.35Å; G924-L967 WeakPolarHBondContact O-CG 3.49Å; G924-L967 PolarHBondContact O-N 3.43Å
925	C	88.5	Confident	86.2	Confident	20 Å²	20	56.4 Å²	56.4	14%	0.135	26%	0.264	C	S	.	.	B	Isolated β-bridge	trans	-101.8	171.5	173.7	59.5	0	0	0	0	111.4	R927 D928 L929 E963 E965	C925-R927 PolarHBondContact O-N 2.92Å; C925-D928 PolarHBondContact N-OD2 3.2Å; C925-D928 WeakPolarHBondContact O-CB 3.38Å; C925-D928 PolarHBondContact O-N 2.72Å; C925-D928 PolarHBondContact SG-OD2 3.49Å; C925-L929 PolarHBondContact O-N 3.2Å; C925-E963 WeakPolarHBondContact CB-O 3.32Å; C925-E965 CarbonylContact C-O 3.38Å; C925-E965 WeakPolarHBondContact CA-O 3.48Å; C925-E965 WeakPolarHBondContact CB-O 3.41Å
926	V	89.7	Confident	86.1	Confident	1 Å²	1	53 Å²	53	1%	0.006	26%	0.259	C	S	.	.	H	α-helix	trans	-55.1	-34.6	175.8	170.3	0	0	0	0	111	D928 L929 L930 L949 H961 Q962 E963 E965 L967 L970	V926-D928 VanDerWaalsContact C-N 3.3Å; V926-D928 PolarHBondContact O-N 2.95Å; V926-L929 WeakPolarHBondContact O-CB 3.33Å; V926-L929 PolarHBondContact O-N 3.5Å; V926-L929 VanDerWaalsContact O-N 3.17Å; V926-L930 HydrophobicContact CG1-CD1 4.03Å; V926-L930 HydrophobicContact CG1-CG 4.15Å; V926-L930 WeakPolarHBondContact O-CG 3.41Å; V926-L930 PolarHBondContact O-N 2.62Å; V926-L949 HydrophobicContact CB-CD2 4.42Å; V926-L949 HydrophobicContact CG1-CB 3.7Å; V926-L949 HydrophobicContact CG1-CD2 3.76Å; V926-L949 HydrophobicContact CG1-CG 4.38Å; V926-L949 HydrophobicContact CG2-CD2 3.79Å; V926-H961 HydrophobicContact CG2-CB 4.21Å; V926-Q962 WeakPolarHBondContact CB-O 3.37Å; V926-E963 PolarHBondContact N-O 3.33Å; V926-E965 HydrophobicContact CG2-CB 4.08Å; V926-E965 WeakPolarHBondContact CG2-O 3.31Å; V926-E965 PolarHBondContact N-O 3.25Å; V926-L967 HydrophobicContact CG2-CD2 4.16Å; V926-L970 HydrophobicContact CG2-CD1 4.32Å; V926-L970 HydrophobicContact CG2-CD2 4.35Å
927	R	91.8	Very high	86	Confident	106 Å²	106	53 Å²	53	40%	0.4	26%	0.26	S	S	.	.	H	α-helix	trans	-54.1	-44.6	172.9	-170.7	178.7	-69.7	129.4	5	112.7	C925 L929 L930 E931 E963 D964	C925-R927 PolarHBondContact O-N 2.92Å; R927-L929 VanDerWaalsContact C-N 3.31Å; R927-L929 PolarHBondContact O-N 2.83Å; R927-L930 PolarHBondContact O-N 2.89Å; R927-E931 WeakPolarHBondContact O-CB 3.46Å; R927-E931 PolarHBondContact O-N 2.94Å; R927-E963 HydrophobicContact CB-CB 4.12Å; R927-E963 IonicContact CZ-OE2 2.66Å; R927-E963 PolarHBondContact N-O 2.86Å; R927-E963 IonicContact NE-OE2 3.25Å; R927-E963 PolarHBondContact NE-OE2 2.78Å; R927-E963 IonicContact NH2-OE2 2.66Å; R927-E963 PolarHBondContact NH2-OE2 2.9Å; R927-D964 IonicContact CZ-OD1 3.33Å; R927-D964 IonicContact NH1-OD1 3.14Å; R927-D964 PolarHBondContact NH1-OD1 3.29Å; R927-D964 IonicContact NH2-OD1 2.73Å; R927-D964 PolarHBondContact NH2-OD1 2.9Å
928	D	87.5	Confident	85.9	Confident	67 Å²	67	58.8 Å²	58.8	36%	0.358	28%	0.283	S	S	.	.	H	α-helix	trans	-66.1	-37.8	-178.8	-56.8	-48.7	0	0	0	111.1	G924 C925 V926 E932	G924-D928 WeakPolarHBondContact CA-OD2 3.46Å; C925-D928 PolarHBondContact N-OD2 3.2Å; C925-D928 WeakPolarHBondContact O-CB 3.38Å; C925-D928 PolarHBondContact O-N 2.72Å; C925-D928 PolarHBondContact SG-OD2 3.49Å; V926-D928 VanDerWaalsContact C-N 3.3Å; V926-D928 PolarHBondContact O-N 2.95Å; D928-E932 WeakPolarHBondContact O-CB 3.45Å; D928-E932 WeakPolarHBondContact O-CG 2.85Å; D928-E932 PolarHBondContact O-N 2.9Å
929	L	91.3	Very high	85.8	Confident	0 Å²	0	60.2 Å²	60.2	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-65	-42.9	173.3	174.6	69.1	0	0	0	112	F902 L918 P920 C925 V926 R927 E932 C933 L949 L967 I980	F902-L929 HydrophobicContact CB-CD1 4.01Å; F902-L929 HydrophobicContact CD1-CD1 3.76Å; F902-L929 HydrophobicContact CD1-CD2 3.82Å; F902-L929 HydrophobicContact CD1-CG 4.47Å; F902-L929 HydrophobicContact CE1-CD1 4.44Å; F902-L929 HydrophobicContact CE1-CD2 3.65Å; F902-L929 HydrophobicContact CE2-CD2 4.37Å; F902-L929 HydrophobicContact CG-CD1 3.91Å; F902-L929 HydrophobicContact CG-CD2 4.25Å; F902-L929 HydrophobicContact CZ-CD2 3.95Å; L918-L929 HydrophobicContact CB-CD1 3.94Å; L918-L929 HydrophobicContact CD1-CD1 3.62Å; L918-L929 HydrophobicContact CD1-CG 4.44Å; L918-L929 HydrophobicContact CG-CD1 4.42Å; P920-L929 HydrophobicContact CB-CB 4.44Å; P920-L929 HydrophobicContact CG-CB 4.46Å; P920-L929 HydrophobicContact CG-CD1 3.92Å; C925-L929 PolarHBondContact O-N 3.2Å; V926-L929 WeakPolarHBondContact O-CB 3.33Å; V926-L929 PolarHBondContact O-N 3.5Å; V926-L929 VanDerWaalsContact O-N 3.17Å; R927-L929 VanDerWaalsContact C-N 3.31Å; R927-L929 PolarHBondContact O-N 2.83Å; L929-E932 PolarHBondContact O-N 2.89Å; L929-C933 PolarHBondContact O-N 3.37Å; L929-L949 HydrophobicContact CD2-CD1 4.14Å; L929-L949 HydrophobicContact CD2-CD2 4.09Å; L929-L967 HydrophobicContact CB-CD1 4.28Å; L929-L967 HydrophobicContact CB-CD2 3.89Å; L929-L967 HydrophobicContact CD2-CD2 3.91Å; L929-I980 HydrophobicContact CD1-CD1 4.39Å; L929-I980 HydrophobicContact CD2-CD1 4.33Å; L929-I980 HydrophobicContact CG-CD1 4Å
930	L	92.9	Very high	85.7	Confident	12 Å²	12	57.5 Å²	57.5	6%	0.063	29%	0.286	C	S	.	.	H	α-helix	trans	-65.6	-41.2	177.5	-65.6	175.5	0	0	0	111.5	V926 R927 C933 K934 L947 L949 E963 I980	V926-L930 HydrophobicContact CG1-CD1 4.03Å; V926-L930 HydrophobicContact CG1-CG 4.15Å; V926-L930 WeakPolarHBondContact O-CG 3.41Å; V926-L930 PolarHBondContact O-N 2.62Å; R927-L930 PolarHBondContact O-N 2.89Å; L930-C933 WeakPolarHBondContact O-CB 3.38Å; L930-C933 PolarHBondContact O-N 2.98Å; L930-K934 WeakPolarHBondContact O-CB 3.47Å; L930-K934 PolarHBondContact O-N 2.88Å; L930-L947 HydrophobicContact CB-CB 4.3Å; L930-L947 HydrophobicContact CD2-CB 3.86Å; L930-L947 HydrophobicContact CG-CB 4.45Å; L930-L947 WeakPolarHBondContact O-CD1 3.45Å; L930-L949 HydrophobicContact CD2-CB 4.28Å; L930-E963 HydrophobicContact CD1-CG 4.13Å; L930-I980 HydrophobicContact CD2-CD1 4.36Å; L930-I980 HydrophobicContact CD2-CG1 4.2Å; L930-I980 HydrophobicContact CD2-CG2 3.65Å
931	E	90.5	Very high	85.1	Confident	95 Å²	95	66.5 Å²	66.5	44%	0.444	33%	0.328	S	S	.	.	H	α-helix	trans	-67.9	-38.6	177.6	-168.9	60.2	-152.1	0	0	112	R927 C933 K934 K935	R927-E931 WeakPolarHBondContact O-CB 3.46Å; R927-E931 PolarHBondContact O-N 2.94Å; E931-C933 VanDerWaalsContact C-N 3.31Å; E931-C933 PolarHBondContact O-N 3.08Å; E931-K934 PolarHBondContact O-N 2.59Å; E931-K935 WeakPolarHBondContact O-CG 3.4Å; E931-K935 PolarHBondContact O-N 2.96Å; E931-K935 VanDerWaalsContact O-N 3.14Å
932	E	89	Confident	84.8	Confident	42 Å²	42	69.9 Å²	69.9	20%	0.196	35%	0.345	C	S	.	.	H	α-helix	trans	-63.9	-37.4	171.1	-74.5	-68.2	111.6	0	0	111.7	R899 D928 L929 K935 A936	R899-E932 IonicContact NH1-OE2 2.77Å; R899-E932 PolarHBondContact NH1-OE2 2.83Å; R899-E932 VanDerWaalsContact NH1-OE2 3.1Å; D928-E932 WeakPolarHBondContact O-CB 3.45Å; D928-E932 WeakPolarHBondContact O-CG 2.85Å; D928-E932 PolarHBondContact O-N 2.9Å; L929-E932 PolarHBondContact O-N 2.89Å; E932-K935 PolarHBondContact O-N 2.92Å; E932-K935 IonicContact OE1-NZ 3.39Å; E932-K935 PolarHBondContact OE1-NZ 2.83Å; E932-A936 WeakPolarHBondContact O-CB 3.19Å; E932-A936 PolarHBondContact O-N 3.28Å
933	C	90.9	Very high	85.2	Confident	0 Å²	0	66 Å²	66	0%	0	34%	0.335	C	S	.	.	H	α-helix	trans	-62.7	-45.8	172.8	-164.9	0	0	0	0	111.1	L918 L929 L930 E931 K935 A936 V937 L947 I980	L918-C933 HydrophobicContact CD1-CB 3.6Å; L929-C933 PolarHBondContact O-N 3.37Å; L930-C933 WeakPolarHBondContact O-CB 3.38Å; L930-C933 PolarHBondContact O-N 2.98Å; E931-C933 VanDerWaalsContact C-N 3.31Å; E931-C933 PolarHBondContact O-N 3.08Å; C933-K935 PolarHBondContact O-N 3.2Å; C933-A936 WeakPolarHBondContact O-CA 3.18Å; C933-A936 PolarHBondContact O-N 3.19Å; C933-V937 WeakPolarHBondContact O-CG2 3.42Å; C933-V937 PolarHBondContact O-N 3.09Å; C933-V937 VanDerWaalsContact O-N 3.1Å; C933-L947 HydrophobicContact CB-CD1 4.2Å; C933-I980 HydrophobicContact CB-CD1 3.81Å; C933-I980 HydrophobicContact CB-CG2 4.2Å
934	K	90.2	Very high	85.6	Confident	65 Å²	65	61.1 Å²	61.1	28%	0.283	32%	0.315	S	S	.	.	H	α-helix	trans	-58.4	-32.1	179.2	-175.6	163.4	-178.1	167	0	113	L930 E931 L939 E945 L947	L930-K934 WeakPolarHBondContact O-CB 3.47Å; L930-K934 PolarHBondContact O-N 2.88Å; E931-K934 PolarHBondContact O-N 2.59Å; K934-L939 HydrophobicContact CD-CD1 4.01Å; K934-L939 HydrophobicContact CG-CD1 3.87Å; K934-E945 PolarHBondContact NZ-O 2.84Å; K934-E945 IonicContact NZ-OE2 3.26Å; K934-L947 HydrophobicContact CB-CD1 4.02Å
935	K	87.6	Confident	85.8	Confident	139 Å²	139	66.6 Å²	66.6	60%	0.604	34%	0.339	S	S	*	.	H	α-helix	trans	-76.1	-27	173.1	-65.1	170.5	-161	163.4	0	113.5	E931 E932 C933	E931-K935 WeakPolarHBondContact O-CG 3.4Å; E931-K935 PolarHBondContact O-N 2.96Å; E931-K935 VanDerWaalsContact O-N 3.14Å; E932-K935 PolarHBondContact O-N 2.92Å; E932-K935 IonicContact OE1-NZ 3.39Å; E932-K935 PolarHBondContact OE1-NZ 2.83Å; C933-K935 PolarHBondContact O-N 3.2Å
936	A	86.6	Confident	85.9	Confident	63 Å²	63	71 Å²	71	52%	0.521	36%	0.356	S	S	.	.	H	α-helix	trans	-90.1	-15.3	-173.9	0	0	0	0	0	113.5	I916 L918 E932 C933	I916-A936 HydrophobicContact CD1-CB 3.95Å; L918-A936 HydrophobicContact CD2-CB 3.94Å; E932-A936 WeakPolarHBondContact O-CB 3.19Å; E932-A936 PolarHBondContact O-N 3.28Å; C933-A936 WeakPolarHBondContact O-CA 3.18Å; C933-A936 PolarHBondContact O-N 3.19Å
937	V	87.4	Confident	86.1	Confident	26 Å²	26	71.6 Å²	71.6	16%	0.158	36%	0.359	C	S	.	.	S	Bend	trans	-124.8	152.4	-176.7	-53	0	0	0	0	111.3	W906 I916 C933 L939	W906-V937 HydrophobicContact CD2-CB 4.49Å; W906-V937 HydrophobicContact CD2-CG1 3.99Å; W906-V937 HydrophobicContact CD2-CG2 4.39Å; W906-V937 HydrophobicContact CG-CG1 4.09Å; W906-V937 HydrophobicContact CH2-CG2 3.77Å; W906-V937 HydrophobicContact CZ2-CB 4.09Å; W906-V937 HydrophobicContact CZ2-CG1 4.47Å; W906-V937 HydrophobicContact CZ2-CG2 3.58Å; W906-V937 HydrophobicContact CZ3-CG2 4.23Å; I916-V937 HydrophobicContact CD1-CG1 3.69Å; C933-V937 WeakPolarHBondContact O-CG2 3.42Å; C933-V937 PolarHBondContact O-N 3.09Å; C933-V937 VanDerWaalsContact O-N 3.1Å; V937-L939 HydrophobicContact CG2-CD2 4.08Å
938	E	83.1	Confident	86.2	Confident	183 Å²	183	67.5 Å²	67.5	86%	0.855	34%	0.343	S	S	*	.	P	Polyproline II helix	trans	-88.5	119	170.9	-166.9	172.4	-167.2	0	0	108.9
939	L	84.6	Confident	86.6	Confident	37 Å²	37	64.3 Å²	64.3	19%	0.194	33%	0.326	C	S	.	.	P	Polyproline II helix	trans	-78.8	161.3	179.5	-63.5	179.3	0	0	0	111.4	W906 K934 V937 E945 L947	W906-L939 HydrophobicContact CH2-CD2 3.96Å; W906-L939 HydrophobicContact CZ2-CD2 4.45Å; K934-L939 HydrophobicContact CD-CD1 4.01Å; K934-L939 HydrophobicContact CG-CD1 3.87Å; V937-L939 HydrophobicContact CG2-CD2 4.08Å; L939-E945 HydrophobicContact CD1-CB 4.32Å; L939-E945 HydrophobicContact CD1-CG 4.48Å; L939-L947 HydrophobicContact CD2-CD2 3.89Å
940	S	79.3	Confident	86.7	Confident	38 Å²	38	64.3 Å²	64.3	27%	0.266	33%	0.326	S	S	.	.	P	Polyproline II helix	trans	-69.9	134.9	-179.8	59.5	0	0	0	0	112.3	N942 G943 E982	S940-N942 PolarHBondContact O-N 2.93Å; S940-G943 PolarHBondContact O-N 3.29Å; S940-G943 WeakPolarHBondContact OG-CA 3.29Å; S940-G943 PolarHBondContact OG-N 3.27Å; S940-E982 PolarHBondContact N-OE2 2.83Å; S940-E982 PolarHBondContact OG-OE2 2.91Å
941	E	72.3	Confident	86.7	Confident	191 Å²	191	64.9 Å²	64.9	89%	0.893	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.5	-22	-174.2	-68.3	-175.2	162	0	0	114.5
942	N	71.8	Confident	86.8	Confident	147 Å²	147	60.9 Å²	60.9	79%	0.786	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-126.5	26.8	176.9	-63.1	-50.3	0	0	0	112.2	S940	S940-N942 PolarHBondContact O-N 2.93Å
943	G	76.6	Confident	86.8	Confident	23 Å²	23	60.1 Å²	60.1	24%	0.237	31%	0.308	C	S	.	.	S	Bend	trans	-78.2	-178.2	-178.7	0	0	0	0	0	114.4	S940 E945 E982	S940-G943 PolarHBondContact O-N 3.29Å; S940-G943 WeakPolarHBondContact OG-CA 3.29Å; S940-G943 PolarHBondContact OG-N 3.27Å; G943-E945 VanDerWaalsContact C-N 3.31Å; G943-E982 VanDerWaalsContact CA-OE1 3.3Å; G943-E982 WeakPolarHBondContact CA-OE1 3.38Å
944	S	84.8	Confident	86.6	Confident	22 Å²	22	63.9 Å²	63.9	15%	0.154	34%	0.335	C	S	.	.			trans	-80.7	-15	175.4	72.9	0	0	0	0	113.3	K946 E982 I983	S944-K946 PolarHBondContact O-N 3.34Å; S944-K946 PolarHBondContact OG-N 2.77Å; S944-K946 PolarHBondContact OG-O 3.48Å; S944-E982 PolarHBondContact N-OE1 2.95Å; S944-E982 VanDerWaalsContact N-OE1 3.1Å; S944-I983 WeakPolarHBondContact CB-O 3.49Å; S944-I983 PolarHBondContact OG-O 3.11Å
945	E	85.6	Confident	86.6	Confident	122 Å²	122	67.1 Å²	67.1	57%	0.57	35%	0.346	S	S	*	.			trans	56.3	7.8	-170.7	-57.2	-173.2	-172.2	0	0	115.9	K934 L939 G943 E982	K934-E945 PolarHBondContact NZ-O 2.84Å; K934-E945 IonicContact NZ-OE2 3.26Å; L939-E945 HydrophobicContact CD1-CB 4.32Å; L939-E945 HydrophobicContact CD1-CG 4.48Å; G943-E945 VanDerWaalsContact C-N 3.31Å; E945-E982 PolarHBondContact N-OE1 2.92Å
946	K	89.9	Confident	86.7	Confident	112 Å²	112	62.4 Å²	62.4	49%	0.487	33%	0.326	S	S	.	.			trans	-103.3	128.3	177.9	-66.7	-179.9	-177.5	178.1	0	109.1	S944 I983 V988	S944-K946 PolarHBondContact O-N 3.34Å; S944-K946 PolarHBondContact OG-N 2.77Å; S944-K946 PolarHBondContact OG-O 3.48Å; K946-I983 HydrophobicContact CB-CB 4.48Å; K946-I983 HydrophobicContact CB-CD1 4.03Å; K946-I983 HydrophobicContact CB-CG1 4.48Å; K946-I983 WeakPolarHBondContact O-CG1 3.25Å; K946-I983 PolarHBondContact O-N 3.5Å; K946-V988 HydrophobicContact CD-CG1 3.99Å; K946-V988 VanDerWaalsContact NZ-CG1 3.35Å
947	L	93.9	Very high	86.9	Confident	13 Å²	13	60.2 Å²	60.2	7%	0.068	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	156.8	178.5	-55.9	-173.6	0	0	0	110.8	W906 L930 C933 K934 L939 I980 E981 E982	W906-L947 HydrophobicContact CH2-CD2 3.86Å; W906-L947 HydrophobicContact CZ3-CD1 4.26Å; W906-L947 HydrophobicContact CZ3-CD2 3.85Å; L930-L947 HydrophobicContact CB-CB 4.3Å; L930-L947 HydrophobicContact CD2-CB 3.86Å; L930-L947 HydrophobicContact CG-CB 4.45Å; L930-L947 WeakPolarHBondContact O-CD1 3.45Å; C933-L947 HydrophobicContact CB-CD1 4.2Å; K934-L947 HydrophobicContact CB-CD1 4.02Å; L939-L947 HydrophobicContact CD2-CD2 3.89Å; L947-I980 HydrophobicContact CB-CG2 4.24Å; L947-I980 HydrophobicContact CD1-CG2 4.12Å; L947-E981 WeakPolarHBondContact CA-O 3.35Å; L947-E982 HydrophobicContact CD2-CB 3.91Å; L947-E982 HydrophobicContact CD2-CG 4.34Å
948	R	94.8	Very high	86.9	Confident	20 Å²	20	63 Å²	63	8%	0.075	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	154.4	169.8	62.6	178.1	173.5	-148.7	-3.6	111.6	L950 V960 I980 E981 I983	R948-L950 HydrophobicContact CG-CD2 4.5Å; R948-V960 HydrophobicContact CB-CG1 4.29Å; R948-I980 WeakPolarHBondContact O-CA 3.2Å; R948-E981 HydrophobicContact CG-CG 3.88Å; R948-E981 IonicContact CZ-OE1 3.8Å; R948-E981 PolarHBondContact N-O 2.79Å; R948-E981 IonicContact NE-OE1 2.83Å; R948-E981 PolarHBondContact NE-OE1 3.31Å; R948-E981 IonicContact NH2-OE1 3.37Å; R948-E981 PolarHBondContact NH2-OE1 2.94Å; R948-E981 PolarHBondContact O-N 2.92Å; R948-I983 HydrophobicContact CB-CD1 4.13Å; R948-I983 HydrophobicContact CB-CG1 4.04Å; R948-I983 HydrophobicContact CG-CD1 4.49Å; R948-I983 HydrophobicContact CG-CG1 3.9Å
949	L	95.7	Very high	87.1	Confident	0 Å²	0	55.6 Å²	55.6	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	122.1	174	-177.3	69.2	0	0	0	110.2	V926 L929 L930 H961 L970 F978 I980	V926-L949 HydrophobicContact CB-CD2 4.42Å; V926-L949 HydrophobicContact CG1-CB 3.7Å; V926-L949 HydrophobicContact CG1-CD2 3.76Å; V926-L949 HydrophobicContact CG1-CG 4.38Å; V926-L949 HydrophobicContact CG2-CD2 3.79Å; L929-L949 HydrophobicContact CD2-CD1 4.14Å; L929-L949 HydrophobicContact CD2-CD2 4.09Å; L930-L949 HydrophobicContact CD2-CB 4.28Å; L949-H961 HydrophobicContact CB-CB 4.23Å; L949-H961 HydrophobicContact CD2-CB 4.01Å; L949-H961 HydrophobicContact CG-CB 4.32Å; L949-H961 PolarHBondContact O-N 3.24Å; L949-L970 HydrophobicContact CD2-CD1 3.93Å; L949-L970 HydrophobicContact CD2-CD2 4.42Å; L949-F978 HydrophobicContact CD1-CB 4.11Å; L949-F978 HydrophobicContact CD1-CD1 4.43Å; L949-F978 HydrophobicContact CD2-CD1 4.42Å; L949-F978 HydrophobicContact CG-CD1 4.49Å; L949-I980 HydrophobicContact CD1-CD1 4.47Å; L949-I980 HydrophobicContact CD1-CG1 3.69Å
950	L	94.3	Very high	87.4	Confident	0 Å²	0	56.9 Å²	56.9	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	140.5	176.8	-60.4	179	0	0	0	111	R948 I957 V960 F978 R979 E981 L1016	R948-L950 HydrophobicContact CG-CD2 4.5Å; L950-I957 HydrophobicContact CD1-CD1 3.86Å; L950-I957 HydrophobicContact CD1-CG1 4.27Å; L950-I957 HydrophobicContact CD2-CG2 4.15Å; L950-V960 HydrophobicContact CD2-CB 4.22Å; L950-V960 HydrophobicContact CD2-CG1 4.11Å; L950-V960 HydrophobicContact CD2-CG2 3.61Å; L950-F978 WeakPolarHBondContact O-CA 3.22Å; L950-R979 HydrophobicContact CB-CB 4.45Å; L950-R979 PolarHBondContact N-O 2.84Å; L950-R979 PolarHBondContact O-N 2.89Å; L950-E981 VanDerWaalsContact CD1-CD 3.4Å; L950-E981 HydrophobicContact CD1-CG 4.18Å; L950-E981 WeakPolarHBondContact CD1-OE1 3.1Å; L950-E981 VanDerWaalsContact CD1-OE2 3.24Å; L950-E981 WeakPolarHBondContact CD1-OE2 3.35Å; L950-L1016 HydrophobicContact CD2-CD1 3.8Å
951	E	92.9	Very high	88	Confident	25 Å²	25	56.2 Å²	56.2	12%	0.117	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	119.8	170.1	-162.8	-179.1	-162.9	0	0	109.2	I958 G959 H961 R976 F978	E951-I958 HydrophobicContact CB-CD1 4.35Å; E951-I958 HydrophobicContact CB-CG1 3.93Å; E951-I958 HydrophobicContact CG-CD1 3.82Å; E951-I958 HydrophobicContact CG-CG1 3.93Å; E951-I958 VanDerWaalsContact O-CG1 3.24Å; E951-I958 WeakPolarHBondContact O-CG1 3.35Å; E951-I958 PolarHBondContact O-N 3.1Å; E951-I958 WeakPolarHBondContact OE2-CD1 3.38Å; E951-G959 PolarHBondContact N-O 2.97Å; E951-H961 IonicContact OE2-NE2 2.62Å; E951-R976 WeakPolarHBondContact OE1-CD 3.49Å; E951-R976 IonicContact OE1-CZ 3.33Å; E951-R976 IonicContact OE1-NE 2.74Å; E951-R976 PolarHBondContact OE1-NE 2.91Å; E951-F978 HydrophobicContact CB-CE1 4.39Å; E951-F978 HydrophobicContact CG-CD1 4.4Å; E951-F978 HydrophobicContact CG-CE1 3.92Å
952	I	91.6	Very high	88.9	Confident	10 Å²	10	53.6 Å²	53.6	5%	0.051	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	131.4	-176	-58	175.9	0	0	0	109.8	K956 I957 T977 R979 P1014	I952-K956 CarbonylContact C-O 3.5Å; I952-K956 VanDerWaalsContact CA-O 3.26Å; I952-K956 WeakPolarHBondContact CA-O 3.49Å; I952-I957 HydrophobicContact CG1-CG1 4.17Å; I952-T977 WeakPolarHBondContact CA-O 3.45Å; I952-T977 WeakPolarHBondContact CB-O 3.42Å; I952-T977 PolarHBondContact N-O 2.77Å; I952-T977 PolarHBondContact O-N 2.78Å; I952-R979 HydrophobicContact CD1-CB 3.71Å; I952-R979 HydrophobicContact CD1-CG 4.48Å; I952-P1014 HydrophobicContact CD1-CG 4.03Å; I952-P1014 HydrophobicContact CG1-CG 4.42Å; I952-P1014 HydrophobicContact CG2-CG 4.08Å
953	V	88	Confident	89.8	Confident	26 Å²	26	50.8 Å²	50.8	16%	0.158	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	127.8	174.8	178.1	0	0	0	0	108.8	Y955 K956 I958	V953-Y955 PolarHBondContact O-N 2.91Å; V953-K956 PolarHBondContact N-O 3.22Å; V953-K956 WeakPolarHBondContact O-CB 3.24Å; V953-K956 PolarHBondContact O-N 2.97Å; V953-I958 HydrophobicContact CB-CD1 4.39Å; V953-I958 HydrophobicContact CB-CG2 4.08Å; V953-I958 HydrophobicContact CG2-CD1 3.49Å; V953-I958 VanDerWaalsContact CG2-CD1 3.49Å; V953-I958 HydrophobicContact CG2-CG1 4.05Å; V953-I958 HydrophobicContact CG2-CG2 4.33Å
954	S	87.6	Confident	90.4	Very high	80 Å²	80	55.3 Å²	55.3	56%	0.559	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.4	45	178.4	-52.6	0	0	0	0	111.6	K956 T1010	S954-K956 VanDerWaalsContact C-N 3.27Å; S954-K956 PolarHBondContact O-N 3.5Å; S954-T1010 WeakPolarHBondContact O-CB 3.35Å; S954-T1010 PolarHBondContact O-OG1 3Å
955	Y	90.2	Very high	90.5	Very high	133 Å²	133	57.1 Å²	57.1	52%	0.522	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	61	25.1	-177.7	-50.1	-83.5	0	0	0	115.5	V953 T1010 G1012 P1014	V953-Y955 PolarHBondContact O-N 2.91Å; Y955-T1010 WeakPolarHBondContact CD2-O 3.48Å; Y955-G1012 VanDerWaalsContact CD1-O 3.29Å; Y955-G1012 WeakPolarHBondContact CD1-O 3.14Å; Y955-P1014 WeakPolarHBondContact O-CB 3.46Å; Y955-P1014 WeakPolarHBondContact O-CG 3.37Å
956	K	89.6	Confident	90.4	Very high	39 Å²	39	55.5 Å²	55.5	17%	0.17	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	137.9	173.5	-63.6	175.2	-177.5	172.8	0	110.7	I952 V953 S954 I958 A1001 V1007 T1010 W1084	I952-K956 CarbonylContact C-O 3.5Å; I952-K956 VanDerWaalsContact CA-O 3.26Å; I952-K956 WeakPolarHBondContact CA-O 3.49Å; V953-K956 PolarHBondContact N-O 3.22Å; V953-K956 WeakPolarHBondContact O-CB 3.24Å; V953-K956 PolarHBondContact O-N 2.97Å; S954-K956 VanDerWaalsContact C-N 3.27Å; S954-K956 PolarHBondContact O-N 3.5Å; K956-I958 PolarHBondContact O-N 3.26Å; K956-A1001 HydrophobicContact CG-CB 4.07Å; K956-V1007 PolarHBondContact NZ-O 3.2Å; K956-T1010 HydrophobicContact CD-CG2 4.17Å; K956-T1010 WeakPolarHBondContact CE-OG1 3.41Å; K956-T1010 HydrophobicContact CG-CG2 3.95Å; K956-W1084 HydrophobicContact CD-CZ2 4.09Å
957	I	91.9	Very high	90.1	Very high	18 Å²	18	50.2 Å²	50.2	9%	0.092	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	115.2	170.1	-65.1	163.6	0	0	0	107.7	L950 I952 P999 P1014 L1016	L950-I957 HydrophobicContact CD1-CD1 3.86Å; L950-I957 HydrophobicContact CD1-CG1 4.27Å; L950-I957 HydrophobicContact CD2-CG2 4.15Å; I952-I957 HydrophobicContact CG1-CG1 4.17Å; I957-P999 HydrophobicContact CB-CB 4.3Å; I957-P1014 HydrophobicContact CD1-CB 4.15Å; I957-P1014 HydrophobicContact CD1-CG 4.5Å; I957-P1014 HydrophobicContact CG1-CB 3.96Å; I957-P1014 HydrophobicContact CG1-CG 4.02Å; I957-L1016 HydrophobicContact CD1-CG 4.11Å
958	I	87.1	Confident	89.3	Confident	85 Å²	85	56.5 Å²	56.5	44%	0.436	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	-19.1	180	57.7	158.3	0	0	0	112.4	E951 V953 K956	E951-I958 HydrophobicContact CB-CD1 4.35Å; E951-I958 HydrophobicContact CB-CG1 3.93Å; E951-I958 HydrophobicContact CG-CD1 3.82Å; E951-I958 HydrophobicContact CG-CG1 3.93Å; E951-I958 VanDerWaalsContact O-CG1 3.24Å; E951-I958 WeakPolarHBondContact O-CG1 3.35Å; E951-I958 PolarHBondContact O-N 3.1Å; E951-I958 WeakPolarHBondContact OE2-CD1 3.38Å; V953-I958 HydrophobicContact CB-CD1 4.39Å; V953-I958 HydrophobicContact CB-CG2 4.08Å; V953-I958 HydrophobicContact CG2-CD1 3.49Å; V953-I958 VanDerWaalsContact CG2-CD1 3.49Å; V953-I958 HydrophobicContact CG2-CG1 4.05Å; V953-I958 HydrophobicContact CG2-CG2 4.33Å; K956-I958 PolarHBondContact O-N 3.26Å
959	G	87.2	Confident	88.6	Confident	27 Å²	27	59.8 Å²	59.8	28%	0.278	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-170.1	159.9	179.7	0	0	0	0	0	113.3	E951	E951-G959 PolarHBondContact N-O 2.97Å
960	V	91.2	Very high	88.1	Confident	63 Å²	63	59.9 Å²	59.9	38%	0.382	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	118.4	168.1	-170.7	0	0	0	0	106.8	R948 L950 L1016	R948-V960 HydrophobicContact CB-CG1 4.29Å; L950-V960 HydrophobicContact CD2-CB 4.22Å; L950-V960 HydrophobicContact CD2-CG1 4.11Å; L950-V960 HydrophobicContact CD2-CG2 3.61Å; V960-L1016 HydrophobicContact CG2-CD1 3.82Å
961	H	91.8	Very high	87.2	Confident	25 Å²	25	61.8 Å²	61.8	12%	0.116	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	144.5	179.1	-73.5	-74.8	0	0	0	110.8	V926 L949 E951 E965 L970 F978	V926-H961 HydrophobicContact CG2-CB 4.21Å; L949-H961 HydrophobicContact CB-CB 4.23Å; L949-H961 HydrophobicContact CD2-CB 4.01Å; L949-H961 HydrophobicContact CG-CB 4.32Å; L949-H961 PolarHBondContact O-N 3.24Å; E951-H961 IonicContact OE2-NE2 2.62Å; H961-E965 IonicContact CE1-OE1 3.01Å; H961-E965 IonicContact CE1-OE2 3.92Å; H961-E965 IonicContact CG-OE2 2.79Å; H961-E965 VanDerWaalsContact ND1-CD 3.25Å; H961-E965 IonicContact ND1-OE1 2.78Å; H961-E965 PolarHBondContact ND1-OE1 2.88Å; H961-E965 IonicContact ND1-OE2 2.97Å; H961-E965 PolarHBondContact ND1-OE2 3.43Å; H961-L970 WeakPolarHBondContact CE1-CD2 3.29Å; H961-L970 WeakPolarHBondContact ND1-CD2 3.34Å; H961-F978 AromaticContact NE2-CE1 3.64Å
962	Q	91.3	Very high	86.3	Confident	136 Å²	136	66.3 Å²	66.3	64%	0.636	36%	0.359	S	S	*	.			trans	-82.9	147.6	176.8	-61.2	-59.3	-47	0	0	109.9	V926 D964 E965	V926-Q962 WeakPolarHBondContact CB-O 3.37Å; Q962-D964 PolarHBondContact O-N 3.01Å; Q962-E965 WeakPolarHBondContact O-CB 3.24Å; Q962-E965 PolarHBondContact O-N 3.14Å; Q962-E965 VanDerWaalsContact O-N 3.07Å
963	E	89.9	Confident	85.6	Confident	88 Å²	88	67.8 Å²	67.8	41%	0.411	37%	0.372	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-34.2	-179	-73.2	-175.2	-155.9	0	0	113.7	C925 V926 R927 L930 E965	C925-E963 WeakPolarHBondContact CB-O 3.32Å; V926-E963 PolarHBondContact N-O 3.33Å; R927-E963 HydrophobicContact CB-CB 4.12Å; R927-E963 IonicContact CZ-OE2 2.66Å; R927-E963 PolarHBondContact N-O 2.86Å; R927-E963 IonicContact NE-OE2 3.25Å; R927-E963 PolarHBondContact NE-OE2 2.78Å; R927-E963 IonicContact NH2-OE2 2.66Å; R927-E963 PolarHBondContact NH2-OE2 2.9Å; L930-E963 HydrophobicContact CD1-CG 4.13Å; E963-E965 PolarHBondContact O-N 3.34Å
964	D	88.8	Confident	84.9	Confident	118 Å²	118	71.9 Å²	71.9	63%	0.631	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.5	-3.4	-178.3	-58.1	-46.3	0	0	0	113.2	R927 Q962	R927-D964 IonicContact CZ-OD1 3.33Å; R927-D964 IonicContact NH1-OD1 3.14Å; R927-D964 PolarHBondContact NH1-OD1 3.29Å; R927-D964 IonicContact NH2-OD1 2.73Å; R927-D964 PolarHBondContact NH2-OD1 2.9Å; Q962-D964 PolarHBondContact O-N 3.01Å
965	E	87.5	Confident	84.4	Confident	59 Å²	59	71.5 Å²	71.5	28%	0.276	41%	0.406	S	S	.	.	S	Bend	trans	-72.2	135.5	179.3	-166.3	174.1	170.1	0	0	110.9	C925 V926 H961 Q962 E963 C969	C925-E965 CarbonylContact C-O 3.38Å; C925-E965 WeakPolarHBondContact CA-O 3.48Å; C925-E965 WeakPolarHBondContact CB-O 3.41Å; V926-E965 HydrophobicContact CG2-CB 4.08Å; V926-E965 WeakPolarHBondContact CG2-O 3.31Å; V926-E965 PolarHBondContact N-O 3.25Å; H961-E965 IonicContact CE1-OE1 3.01Å; H961-E965 IonicContact CE1-OE2 3.92Å; H961-E965 IonicContact CG-OE2 2.79Å; H961-E965 VanDerWaalsContact ND1-CD 3.25Å; H961-E965 IonicContact ND1-OE1 2.78Å; H961-E965 PolarHBondContact ND1-OE1 2.88Å; H961-E965 IonicContact ND1-OE2 2.97Å; H961-E965 PolarHBondContact ND1-OE2 3.43Å; Q962-E965 WeakPolarHBondContact O-CB 3.24Å; Q962-E965 PolarHBondContact O-N 3.14Å; Q962-E965 VanDerWaalsContact O-N 3.07Å; E963-E965 PolarHBondContact O-N 3.34Å; E965-C969 HydrophobicContact CG-CB 4.49Å
966	L	83.9	Confident	84.1	Confident	89 Å²	89	69.1 Å²	69.1	47%	0.466	40%	0.396	S	S	.	.	B	Isolated β-bridge	trans	-72.8	138.9	180	-64.9	174.9	0	0	0	111	E968 C969	L966-E968 PolarHBondContact O-N 3.46Å; L966-E968 VanDerWaalsContact O-N 3.14Å; L966-C969 WeakPolarHBondContact O-CB 3.49Å; L966-C969 PolarHBondContact O-N 2.81Å
967	L	82.5	Confident	84.1	Confident	0 Å²	0	70.4 Å²	70.4	0%	0	41%	0.408	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-22.4	177.7	-65.4	178.8	0	0	0	113	R900 P920 G924 V926 L929 C969 L970	R900-L967 PolarHBondContact NH1-O 2.71Å; P920-L967 HydrophobicContact CB-CD1 3.76Å; P920-L967 HydrophobicContact CG-CD1 3.62Å; G924-L967 WeakPolarHBondContact O-CB 3.35Å; G924-L967 WeakPolarHBondContact O-CG 3.49Å; G924-L967 PolarHBondContact O-N 3.43Å; V926-L967 HydrophobicContact CG2-CD2 4.16Å; L929-L967 HydrophobicContact CB-CD1 4.28Å; L929-L967 HydrophobicContact CB-CD2 3.89Å; L929-L967 HydrophobicContact CD2-CD2 3.91Å; L967-C969 VanDerWaalsContact C-N 3.35Å; L967-L970 HydrophobicContact CD2-CD1 3.67Å; L967-L970 PolarHBondContact O-N 2.99Å
968	E	78.6	Confident	84.2	Confident	146 Å²	146	70.4 Å²	70.4	68%	0.682	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.8	-30.2	173.7	-174.3	171.6	-169.9	0	0	112.7	L966 L970	L966-E968 PolarHBondContact O-N 3.46Å; L966-E968 VanDerWaalsContact O-N 3.14Å; E968-L970 VanDerWaalsContact C-N 3.25Å; E968-L970 PolarHBondContact O-N 2.92Å
969	C	79.7	Confident	84.6	Confident	88 Å²	88	66.3 Å²	66.3	60%	0.595	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.2	-12.3	178.2	-64.3	0	0	0	0	112.9	E965 L966 L967	E965-C969 HydrophobicContact CG-CB 4.49Å; L966-C969 WeakPolarHBondContact O-CB 3.49Å; L966-C969 PolarHBondContact O-N 2.81Å; L967-C969 VanDerWaalsContact C-N 3.35Å
970	L	83.6	Confident	85	Confident	3 Å²	3	65 Å²	65	2%	0.016	37%	0.373	C	S	.	.	S	Bend	trans	-70.9	130.1	176.1	-59.7	-178.6	0	0	0	110.7	F902 V926 L949 H961 L967 E968 F978	F902-L970 HydrophobicContact CE2-CD1 3.77Å; F902-L970 HydrophobicContact CZ-CD1 3.84Å; V926-L970 HydrophobicContact CG2-CD1 4.32Å; V926-L970 HydrophobicContact CG2-CD2 4.35Å; L949-L970 HydrophobicContact CD2-CD1 3.93Å; L949-L970 HydrophobicContact CD2-CD2 4.42Å; H961-L970 WeakPolarHBondContact CE1-CD2 3.29Å; H961-L970 WeakPolarHBondContact ND1-CD2 3.34Å; L967-L970 HydrophobicContact CD2-CD1 3.67Å; L967-L970 PolarHBondContact O-N 2.99Å; E968-L970 VanDerWaalsContact C-N 3.25Å; E968-L970 PolarHBondContact O-N 2.92Å; L970-F978 HydrophobicContact CB-CE1 4.32Å; L970-F978 HydrophobicContact CB-CZ 3.95Å; L970-F978 HydrophobicContact CD1-CE1 4.47Å; L970-F978 HydrophobicContact CD2-CE1 4.26Å
971	S	76.4	Confident	85.1	Confident	40 Å²	40	62.4 Å²	62.4	28%	0.28	36%	0.356	S	S	.	.			trans	-60.7	128.4	-176.6	-179.5	0	0	0	0	112.5	A973	S971-A973 VanDerWaalsContact C-N 3.27Å; S971-A973 PolarHBondContact O-N 3.42Å; S971-A973 PolarHBondContact OG-N 3.22Å
972	P	74.1	Confident	85.2	Confident	120 Å²	120	62.6 Å²	62.6	78%	0.779	36%	0.357	S	S	*	.			trans	-84.2	6	177.7	34.6	-36	0	0	0	113.7	A974	P972-A974 PolarHBondContact O-N 2.83Å
973	A	77.4	Confident	85.2	Confident	41 Å²	41	57.5 Å²	57.5	34%	0.339	33%	0.334	S	S	.	.			trans	-64.1	133.2	-174	0	0	0	0	0	112.3	S971 S975 R976	S971-A973 VanDerWaalsContact C-N 3.27Å; S971-A973 PolarHBondContact O-N 3.42Å; S971-A973 PolarHBondContact OG-N 3.22Å; A973-S975 PolarHBondContact O-N 2.78Å; A973-R976 HydrophobicContact CB-CG 4.14Å; A973-R976 WeakPolarHBondContact O-CB 3.47Å; A973-R976 PolarHBondContact O-N 2.95Å
974	A	73.6	Confident	85.1	Confident	111 Å²	111	55.2 Å²	55.2	92%	0.917	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	-18.5	-179	0	0	0	0	0	114.2	P972 R976	P972-A974 PolarHBondContact O-N 2.83Å; A974-R976 VanDerWaalsContact C-N 3.29Å
975	S	76.5	Confident	84.9	Confident	73 Å²	73	55.1 Å²	55.1	51%	0.51	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.4	-10.2	174.9	60.6	0	0	0	0	114.2	A973	A973-S975 PolarHBondContact O-N 2.78Å
976	R	83.1	Confident	84.8	Confident	83 Å²	83	55.8 Å²	55.8	31%	0.313	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	131.9	-180	-64.5	-69.5	-165	-101.9	6.3	109.8	E951 A973 A974 F978	E951-R976 WeakPolarHBondContact OE1-CD 3.49Å; E951-R976 IonicContact OE1-CZ 3.33Å; E951-R976 IonicContact OE1-NE 2.74Å; E951-R976 PolarHBondContact OE1-NE 2.91Å; A973-R976 HydrophobicContact CB-CG 4.14Å; A973-R976 WeakPolarHBondContact O-CB 3.47Å; A973-R976 PolarHBondContact O-N 2.95Å; A974-R976 VanDerWaalsContact C-N 3.29Å; R976-F978 HydrophobicContact CB-CE2 4.41Å
977	T	90.1	Very high	85	Confident	66 Å²	66	52 Å²	52	41%	0.405	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	122.8	168.8	-60.3	0	0	0	0	108.4	I905 I952	I905-T977 HydrophobicContact CG1-CG2 3.77Å; I952-T977 WeakPolarHBondContact CA-O 3.45Å; I952-T977 WeakPolarHBondContact CB-O 3.42Å; I952-T977 PolarHBondContact N-O 2.77Å; I952-T977 PolarHBondContact O-N 2.78Å
978	F	94.1	Very high	85.2	Confident	17 Å²	17	53.7 Å²	53.7	8%	0.075	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	135.9	174.3	-66.3	-75	0	0	0	109.7	F902 C904 I905 L949 L950 E951 H961 L970 R976	F902-F978 HydrophobicContact CE1-CB 3.86Å; F902-F978 HydrophobicContact CE1-CD2 4.1Å; F902-F978 HydrophobicContact CE1-CG 4.06Å; F902-F978 HydrophobicContact CZ-CB 4.1Å; F902-F978 HydrophobicContact CZ-CD1 4.38Å; F902-F978 AromaticContact CZ-CD2 3.62Å; F902-F978 HydrophobicContact CZ-CD2 3.62Å; F902-F978 HydrophobicContact CZ-CE2 4.15Å; F902-F978 AromaticContact CZ-CG 3.76Å; F902-F978 HydrophobicContact CZ-CG 3.76Å; C904-F978 WeakPolarHBondContact CA-O 3.38Å; C904-F978 HydrophobicContact CB-CB 4.01Å; C904-F978 VanDerWaalsContact CB-O 3.27Å; C904-F978 WeakPolarHBondContact CB-O 3.31Å; I905-F978 PolarHBondContact N-O 3.5Å; L949-F978 HydrophobicContact CD1-CB 4.11Å; L949-F978 HydrophobicContact CD1-CD1 4.43Å; L949-F978 HydrophobicContact CD2-CD1 4.42Å; L949-F978 HydrophobicContact CG-CD1 4.49Å; L950-F978 WeakPolarHBondContact O-CA 3.22Å; E951-F978 HydrophobicContact CB-CE1 4.39Å; E951-F978 HydrophobicContact CG-CD1 4.4Å; E951-F978 HydrophobicContact CG-CE1 3.92Å; H961-F978 AromaticContact NE2-CE1 3.64Å; L970-F978 HydrophobicContact CB-CE1 4.32Å; L970-F978 HydrophobicContact CB-CZ 3.95Å; L970-F978 HydrophobicContact CD1-CE1 4.47Å; L970-F978 HydrophobicContact CD2-CE1 4.26Å; R976-F978 HydrophobicContact CB-CE2 4.41Å
979	R	95.6	Very high	85.4	Confident	0 Å²	0	53.4 Å²	53.4	0%	0	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	131	175.8	-169.8	174.8	80.3	-160.4	0.4	111.2	I905 L907 E913 L950 I952 E981 I1013 P1014	I905-R979 HydrophobicContact CB-CB 4.22Å; I905-R979 HydrophobicContact CB-CG 3.93Å; I905-R979 HydrophobicContact CG2-CG 3.95Å; I905-R979 CarbonylContact O-C 3.55Å; I905-R979 VanDerWaalsContact O-CA 3.24Å; I905-R979 WeakPolarHBondContact O-CA 3.44Å; I905-R979 WeakPolarHBondContact O-CG 3.39Å; L907-R979 HydrophobicContact CB-CG 4.37Å; E913-R979 IonicContact OE1-NH1 3.09Å; E913-R979 PolarHBondContact OE1-NH1 2.88Å; L950-R979 HydrophobicContact CB-CB 4.45Å; L950-R979 PolarHBondContact N-O 2.84Å; L950-R979 PolarHBondContact O-N 2.89Å; I952-R979 HydrophobicContact CD1-CB 3.71Å; I952-R979 HydrophobicContact CD1-CG 4.48Å; R979-E981 IonicContact CZ-OE2 2.66Å; R979-E981 IonicContact NE-OE2 3.52Å; R979-E981 PolarHBondContact NE-OE2 3.15Å; R979-E981 VanDerWaalsContact NE-OE2 3.14Å; R979-E981 IonicContact NH2-OE2 3.72Å; R979-E981 PolarHBondContact NH2-OE2 2.73Å; R979-I1013 VanDerWaalsContact NH1-CG2 3.33Å; R979-P1014 PolarHBondContact NH1-O 3.02Å; R979-P1014 PolarHBondContact NH2-O 3.22Å
980	I	95.8	Very high	85.5	Confident	0 Å²	0	51.8 Å²	51.8	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	135.1	171.9	-57.8	174.3	0	0	0	107.9	I905 W906 L907 L918 L929 L930 C933 L947 R948 L949	I905-I980 PolarHBondContact O-N 2.81Å; W906-I980 WeakPolarHBondContact CA-O 3.27Å; W906-I980 HydrophobicContact CE3-CB 4.21Å; W906-I980 HydrophobicContact CE3-CG2 3.98Å; W906-I980 HydrophobicContact CZ3-CG2 3.95Å; L907-I980 PolarHBondContact N-O 2.99Å; L918-I980 HydrophobicContact CD1-CD1 3.71Å; L929-I980 HydrophobicContact CD1-CD1 4.39Å; L929-I980 HydrophobicContact CD2-CD1 4.33Å; L929-I980 HydrophobicContact CG-CD1 4Å; L930-I980 HydrophobicContact CD2-CD1 4.36Å; L930-I980 HydrophobicContact CD2-CG1 4.2Å; L930-I980 HydrophobicContact CD2-CG2 3.65Å; C933-I980 HydrophobicContact CB-CD1 3.81Å; C933-I980 HydrophobicContact CB-CG2 4.2Å; L947-I980 HydrophobicContact CB-CG2 4.24Å; L947-I980 HydrophobicContact CD1-CG2 4.12Å; R948-I980 WeakPolarHBondContact O-CA 3.2Å; L949-I980 HydrophobicContact CD1-CD1 4.47Å; L949-I980 HydrophobicContact CD1-CG1 3.69Å
981	E	93.3	Very high	85.6	Confident	8 Å²	8	55.1 Å²	55.1	4%	0.037	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	155.2	177.2	67.1	-174.6	-149.8	0	0	111.4	L907 L947 R948 L950 R979	L907-E981 HydrophobicContact CB-CB 3.76Å; L907-E981 HydrophobicContact CD2-CB 4.3Å; L907-E981 WeakPolarHBondContact CD2-OE2 3.46Å; L947-E981 WeakPolarHBondContact CA-O 3.35Å; R948-E981 HydrophobicContact CG-CG 3.88Å; R948-E981 IonicContact CZ-OE1 3.8Å; R948-E981 PolarHBondContact N-O 2.79Å; R948-E981 IonicContact NE-OE1 2.83Å; R948-E981 PolarHBondContact NE-OE1 3.31Å; R948-E981 IonicContact NH2-OE1 3.37Å; R948-E981 PolarHBondContact NH2-OE1 2.94Å; R948-E981 PolarHBondContact O-N 2.92Å; L950-E981 VanDerWaalsContact CD1-CD 3.4Å; L950-E981 HydrophobicContact CD1-CG 4.18Å; L950-E981 WeakPolarHBondContact CD1-OE1 3.1Å; L950-E981 VanDerWaalsContact CD1-OE2 3.24Å; L950-E981 WeakPolarHBondContact CD1-OE2 3.35Å; R979-E981 IonicContact CZ-OE2 2.66Å; R979-E981 IonicContact NE-OE2 3.52Å; R979-E981 PolarHBondContact NE-OE2 3.15Å; R979-E981 VanDerWaalsContact NE-OE2 3.14Å; R979-E981 IonicContact NH2-OE2 3.72Å; R979-E981 PolarHBondContact NH2-OE2 2.73Å
982	E	92.8	Very high	85.6	Confident	28 Å²	28	62.5 Å²	62.5	13%	0.131	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	130.4	170.5	-173.9	171.9	-160.7	0	0	110.3	W906 S940 G943 S944 E945 L947 P984	W906-E982 HydrophobicContact CH2-CB 4.39Å; S940-E982 PolarHBondContact N-OE2 2.83Å; S940-E982 PolarHBondContact OG-OE2 2.91Å; G943-E982 VanDerWaalsContact CA-OE1 3.3Å; G943-E982 WeakPolarHBondContact CA-OE1 3.38Å; S944-E982 PolarHBondContact N-OE1 2.95Å; S944-E982 VanDerWaalsContact N-OE1 3.1Å; E945-E982 PolarHBondContact N-OE1 2.92Å; L947-E982 HydrophobicContact CD2-CB 3.91Å; L947-E982 HydrophobicContact CD2-CG 4.34Å; E982-P984 WeakPolarHBondContact O-CD 3.19Å
983	I	91.4	Very high	85.7	Confident	30 Å²	30	63.7 Å²	63.7	15%	0.154	35%	0.354	C	S	.	.	P	Polyproline II helix	trans	-69.3	125	179.5	-59.9	176.6	0	0	0	108.4	S944 K946 R948 Q987 V988	S944-I983 WeakPolarHBondContact CB-O 3.49Å; S944-I983 PolarHBondContact OG-O 3.11Å; K946-I983 HydrophobicContact CB-CB 4.48Å; K946-I983 HydrophobicContact CB-CD1 4.03Å; K946-I983 HydrophobicContact CB-CG1 4.48Å; K946-I983 WeakPolarHBondContact O-CG1 3.25Å; K946-I983 PolarHBondContact O-N 3.5Å; R948-I983 HydrophobicContact CB-CD1 4.13Å; R948-I983 HydrophobicContact CB-CG1 4.04Å; R948-I983 HydrophobicContact CG-CD1 4.49Å; R948-I983 HydrophobicContact CG-CG1 3.9Å; I983-Q987 HydrophobicContact CG2-CB 3.99Å; I983-V988 HydrophobicContact CG2-CG2 3.96Å
984	P	88.1	Confident	86.1	Confident	40 Å²	40	63.8 Å²	63.8	26%	0.26	35%	0.351	S	S	.	.	P	Polyproline II helix	trans	-62.8	146.6	175.2	-24.5	35.8	0	0	0	112.1	E982 D986 Q987	E982-P984 WeakPolarHBondContact O-CD 3.19Å; P984-D986 WeakPolarHBondContact CB-OD1 3.35Å; P984-D986 PolarHBondContact O-N 3.19Å; P984-D986 VanDerWaalsContact O-N 3.14Å; P984-Q987 HydrophobicContact CB-CG 4.13Å; P984-Q987 HydrophobicContact CG-CG 4.34Å; P984-Q987 WeakPolarHBondContact O-CB 3.4Å; P984-Q987 PolarHBondContact O-N 3.39Å
985	L	85.8	Confident	86.8	Confident	116 Å²	116	60.1 Å²	60.1	61%	0.607	32%	0.315	S	S	*	.	G	3₁₀ helix	trans	-55.2	-34.6	-176.5	-74.4	172.8	0	0	0	113.5	Q987	L985-Q987 PolarHBondContact O-N 2.9Å
986	D	85	Confident	87.4	Confident	73 Å²	73	58.1 Å²	58.1	39%	0.39	30%	0.298	S	S	.	.	G	3₁₀ helix	trans	-74.8	-6.4	179.3	68.1	-52.7	0	0	0	114	P984 K1018	P984-D986 WeakPolarHBondContact CB-OD1 3.35Å; P984-D986 PolarHBondContact O-N 3.19Å; P984-D986 VanDerWaalsContact O-N 3.14Å; D986-K1018 WeakPolarHBondContact O-CD 3.37Å; D986-K1018 WeakPolarHBondContact O-CE 3.01Å; D986-K1018 PolarHBondContact O-NZ 2.82Å
987	Q	88.1	Confident	87.8	Confident	8 Å²	8	56.3 Å²	56.3	4%	0.037	29%	0.294	C	S	.	.	G	3₁₀ helix	trans	-111.8	-2.1	-178.4	-54.8	-172.3	7.9	0	0	113.6	I983 P984 L985 L997 L1016	I983-Q987 HydrophobicContact CG2-CB 3.99Å; P984-Q987 HydrophobicContact CB-CG 4.13Å; P984-Q987 HydrophobicContact CG-CG 4.34Å; P984-Q987 WeakPolarHBondContact O-CB 3.4Å; P984-Q987 PolarHBondContact O-N 3.39Å; L985-Q987 PolarHBondContact O-N 2.9Å; Q987-L997 HydrophobicContact CB-CD2 4.12Å; Q987-L997 HydrophobicContact CG-CD2 3.79Å; Q987-L1016 PolarHBondContact NE2-O 3.17Å
988	V	85.2	Confident	87.9	Confident	37 Å²	37	53.2 Å²	53.2	22%	0.224	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.5	-52.5	-177.8	179.8	0	0	0	0	111.1	K946 I983	K946-V988 HydrophobicContact CD-CG1 3.99Å; K946-V988 VanDerWaalsContact NZ-CG1 3.35Å; I983-V988 HydrophobicContact CG2-CG2 3.96Å
989	D	83.1	Confident	87.8	Confident	140 Å²	140	53.7 Å²	53.7	75%	0.749	28%	0.28	S	S	*	.	S	Bend	trans	-117	102.8	-179.2	-63.7	-47.8	0	0	0	108.9
990	L	83.3	Confident	87.8	Confident	53 Å²	53	53.7 Å²	53.7	28%	0.277	28%	0.28	S	S	.	.			trans	-102.2	135.6	-179.2	-65.3	160.4	0	0	0	110.5	K992 E995 L997 K1018	L990-K992 PolarHBondContact O-N 2.87Å; L990-E995 HydrophobicContact CD2-CB 4.36Å; L990-L997 HydrophobicContact CD1-CD1 3.57Å; L990-L997 HydrophobicContact CD1-CD2 4.37Å; L990-L997 HydrophobicContact CD1-CG 3.52Å; L990-L997 HydrophobicContact CD2-CG 4.44Å; L990-K1018 HydrophobicContact CD2-CB 4.49Å; L990-K1018 HydrophobicContact CD2-CD 3.38Å; L990-K1018 HydrophobicContact CD2-CG 3.8Å
991	D	84.9	Confident	87.7	Confident	74 Å²	74	53.8 Å²	53.8	40%	0.396	28%	0.281	S	S	.	.			trans	-74.2	102.6	166.8	179.8	2.5	0	0	0	109.6	D993 T994 E995	D991-D993 PolarHBondContact O-N 2.9Å; D991-D993 PolarHBondContact OD1-N 2.87Å; D991-T994 PolarHBondContact O-N 2.77Å; D991-T994 VanDerWaalsContact O-N 3.13Å; D991-T994 PolarHBondContact OD2-OG1 2.93Å; D991-E995 HydrophobicContact CB-CG 4.27Å; D991-E995 PolarHBondContact N-OE2 2.72Å; D991-E995 WeakPolarHBondContact O-CA 3.2Å; D991-E995 WeakPolarHBondContact O-CB 3.47Å; D991-E995 PolarHBondContact O-N 2.79Å
992	K	75.9	Confident	87.7	Confident	194 Å²	194	54 Å²	54	84%	0.843	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.8	-18.2	-173.2	-63.3	-178.9	-178.6	177.7	0	114.4	L990	L990-K992 PolarHBondContact O-N 2.87Å
993	D	77.6	Confident	87.6	Confident	145 Å²	145	52.6 Å²	52.6	78%	0.775	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.8	-21.9	-179.2	-66.3	-30.4	0	0	0	112.5	D991	D991-D993 PolarHBondContact O-N 2.9Å; D991-D993 PolarHBondContact OD1-N 2.87Å
994	T	84.4	Confident	87.4	Confident	43 Å²	43	53.5 Å²	53.5	26%	0.264	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-126.6	-10.5	-175.6	73.4	0	0	0	0	114.9	D991 R1020 Q1021	D991-T994 PolarHBondContact O-N 2.77Å; D991-T994 VanDerWaalsContact O-N 3.13Å; D991-T994 PolarHBondContact OD2-OG1 2.93Å; T994-R1020 CarbonylContact O-C 3.37Å; T994-R1020 VanDerWaalsContact O-CA 3.29Å; T994-R1020 WeakPolarHBondContact O-CA 3.49Å; T994-R1020 VanDerWaalsContact O-CG 3.31Å; T994-R1020 WeakPolarHBondContact O-CG 3.44Å; T994-Q1021 PolarHBondContact O-N 3.21Å
995	E	89.4	Confident	87	Confident	35 Å²	35	54 Å²	54	16%	0.164	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	144.9	-177.7	-59.7	-178.5	134.7	0	0	111.9	L990 D991 K1018 I1019 R1020	L990-E995 HydrophobicContact CD2-CB 4.36Å; D991-E995 HydrophobicContact CB-CG 4.27Å; D991-E995 PolarHBondContact N-OE2 2.72Å; D991-E995 WeakPolarHBondContact O-CA 3.2Å; D991-E995 WeakPolarHBondContact O-CB 3.47Å; D991-E995 PolarHBondContact O-N 2.79Å; E995-K1018 HydrophobicContact CB-CD 4.4Å; E995-K1018 HydrophobicContact CB-CG 4.47Å; E995-K1018 HydrophobicContact CG-CD 4.46Å; E995-K1018 IonicContact OE1-NZ 2.86Å; E995-K1018 PolarHBondContact OE1-NZ 2.96Å; E995-K1018 IonicContact OE2-NZ 2.71Å; E995-I1019 CarbonylContact C-O 3.6Å; E995-I1019 VanDerWaalsContact CA-O 3.29Å; E995-I1019 WeakPolarHBondContact CA-O 3.26Å; E995-R1020 HydrophobicContact CG-CB 4.41Å; E995-R1020 HydrophobicContact CG-CG 4.14Å
996	M	88.9	Confident	86.8	Confident	31 Å²	31	52.6 Å²	52.6	15%	0.153	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	143.2	179.7	-174	177.2	-177.7	0	0	111.2	I998 K1018 I1019 L1068 F1071 E1072	M996-I998 HydrophobicContact CE-CG2 4.35Å; M996-I998 HydrophobicContact CG-CG2 4.13Å; M996-I998 HydrophobicContact SD-CG2 4.12Å; M996-K1018 CarbonylContact O-C 3.53Å; M996-K1018 WeakPolarHBondContact O-CA 3.36Å; M996-I1019 HydrophobicContact CB-CG1 4.15Å; M996-I1019 PolarHBondContact N-O 3.1Å; M996-I1019 WeakPolarHBondContact O-CG1 3.37Å; M996-I1019 PolarHBondContact O-N 3.25Å; M996-L1068 HydrophobicContact CB-CD1 4.38Å; M996-L1068 HydrophobicContact CB-CD2 3.61Å; M996-F1071 HydrophobicContact CE-CB 4.29Å; M996-F1071 WeakPolarHBondContact CE-O 3.41Å; M996-F1071 HydrophobicContact SD-CB 4.02Å; M996-E1072 HydrophobicContact CE-CG 4.48Å
997	L	91.5	Very high	86.7	Confident	45 Å²	45	49.5 Å²	49.5	24%	0.236	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	125	165.7	-73.7	176.1	0	0	0	110.3	Q987 L990 L1017 K1018	Q987-L997 HydrophobicContact CB-CD2 4.12Å; Q987-L997 HydrophobicContact CG-CD2 3.79Å; L990-L997 HydrophobicContact CD1-CD1 3.57Å; L990-L997 HydrophobicContact CD1-CD2 4.37Å; L990-L997 HydrophobicContact CD1-CG 3.52Å; L990-L997 HydrophobicContact CD2-CG 4.44Å; L997-L1017 WeakPolarHBondContact CA-O 3.47Å; L997-K1018 HydrophobicContact CD2-CB 4.09Å
998	I	91.8	Very high	86.4	Confident	1 Å²	1	56.2 Å²	56.2	1%	0.005	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	142	176.5	59.8	163.9	0	0	0	111	M996 L1016 L1017 I1019 F1071 L1085	M996-I998 HydrophobicContact CE-CG2 4.35Å; M996-I998 HydrophobicContact CG-CG2 4.13Å; M996-I998 HydrophobicContact SD-CG2 4.12Å; I998-L1016 WeakPolarHBondContact O-CA 3.31Å; I998-L1017 HydrophobicContact CG1-CB 4.38Å; I998-L1017 WeakPolarHBondContact CG1-O 3.3Å; I998-L1017 PolarHBondContact N-O 2.73Å; I998-L1017 PolarHBondContact O-N 3.14Å; I998-I1019 HydrophobicContact CD1-CD1 3.99Å; I998-I1019 HydrophobicContact CD1-CG1 4.3Å; I998-I1019 HydrophobicContact CD1-CG2 3.75Å; I998-I1019 HydrophobicContact CG1-CD1 4.31Å; I998-I1019 HydrophobicContact CG1-CG1 4.23Å; I998-I1019 HydrophobicContact CG1-CG2 4.05Å; I998-I1019 HydrophobicContact CG2-CD1 3.7Å; I998-I1019 HydrophobicContact CG2-CG1 4.01Å; I998-F1071 HydrophobicContact CB-CD1 4.44Å; I998-F1071 HydrophobicContact CD1-CD1 4.03Å; I998-F1071 HydrophobicContact CD1-CE1 3.82Å; I998-F1071 HydrophobicContact CD1-CZ 4.17Å; I998-F1071 HydrophobicContact CG2-CB 3.72Å; I998-F1071 HydrophobicContact CG2-CD1 3.99Å; I998-F1071 HydrophobicContact CG2-CG 3.88Å; I998-L1085 HydrophobicContact CD1-CB 3.84Å; I998-L1085 HydrophobicContact CD1-CD2 4.2Å
999	P	92.8	Very high	86.4	Confident	26 Å²	26	56.1 Å²	56.1	17%	0.169	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	136.1	169.8	26.9	-30.2	0	0	0	110.5	I957 L1016 W1084 L1085	I957-P999 HydrophobicContact CB-CB 4.3Å; P999-L1016 HydrophobicContact CB-CD2 4.29Å; P999-W1084 HydrophobicContact CB-CB 4.25Å; P999-W1084 HydrophobicContact CG-CB 3.71Å; P999-W1084 WeakPolarHBondContact O-CA 3.28Å; P999-W1084 WeakPolarHBondContact O-CB 3.42Å; P999-L1085 PolarHBondContact O-N 3.33Å
1000	V	94.1	Very high	86.7	Confident	1 Å²	1	50 Å²	50	1%	0.006	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	132.7	176	-171.4	0	0	0	0	108.3	P1014 F1015 L1017 L1085 L1087	V1000-P1014 CarbonylContact O-C 3.59Å; V1000-P1014 VanDerWaalsContact O-CA 3.24Å; V1000-P1014 WeakPolarHBondContact O-CA 3.44Å; V1000-P1014 WeakPolarHBondContact O-CB 3.49Å; V1000-F1015 WeakPolarHBondContact CA-O 3.43Å; V1000-F1015 HydrophobicContact CB-CD1 4.42Å; V1000-F1015 HydrophobicContact CB-CD2 4.08Å; V1000-F1015 HydrophobicContact CB-CE1 4.17Å; V1000-F1015 HydrophobicContact CB-CE2 3.83Å; V1000-F1015 HydrophobicContact CB-CG 4.37Å; V1000-F1015 HydrophobicContact CB-CZ 3.88Å; V1000-F1015 WeakPolarHBondContact CB-O 3.46Å; V1000-F1015 HydrophobicContact CG1-CE1 3.9Å; V1000-F1015 HydrophobicContact CG1-CE2 3.99Å; V1000-F1015 HydrophobicContact CG1-CZ 3.56Å; V1000-F1015 HydrophobicContact CG2-CD2 4.24Å; V1000-F1015 HydrophobicContact CG2-CE2 3.91Å; V1000-F1015 HydrophobicContact CG2-CZ 4.36Å; V1000-F1015 PolarHBondContact N-O 3.05Å; V1000-F1015 PolarHBondContact O-N 3.23Å; V1000-L1017 HydrophobicContact CG2-CB 3.51Å; V1000-L1017 HydrophobicContact CG2-CD2 4.14Å; V1000-L1017 HydrophobicContact CG2-CG 4.49Å; V1000-L1085 VanDerWaalsContact CA-O 3.29Å; V1000-L1085 WeakPolarHBondContact CA-O 3.49Å; V1000-L1085 HydrophobicContact CG2-CB 4.23Å; V1000-L1085 HydrophobicContact CG2-CD2 4.3Å; V1000-L1087 HydrophobicContact CG1-CD1 3.6Å; V1000-L1087 HydrophobicContact CG1-CD2 3.95Å; V1000-L1087 HydrophobicContact CG1-CG 3.57Å
1001	A	93.6	Very high	87	Confident	2 Å²	2	48.4 Å²	48.4	2%	0.017	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	150.9	175.6	0	0	0	0	0	111.2	K956 T1010 P1014 W1084 L1085 G1086 L1087	K956-A1001 HydrophobicContact CG-CB 4.07Å; A1001-T1010 HydrophobicContact CB-CG2 4.4Å; A1001-P1014 HydrophobicContact CB-CB 4.16Å; A1001-W1084 HydrophobicContact CB-CE3 3.85Å; A1001-W1084 HydrophobicContact CB-CZ3 3.69Å; A1001-L1085 PolarHBondContact N-O 2.95Å; A1001-L1085 VanDerWaalsContact N-O 3.11Å; A1001-G1086 WeakPolarHBondContact O-CA 3.11Å; A1001-L1087 PolarHBondContact O-N 2.92Å
1002	H	93.3	Very high	87.1	Confident	11 Å²	11	46.3 Å²	46.3	5%	0.051	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	134.4	177.5	-46.3	-96.5	0	0	0	109.3	T1010 F1011 I1013 F1015 L1087 H1089	H1002-T1010 CarbonylContact O-C 3.55Å; H1002-T1010 WeakPolarHBondContact O-CA 3.46Å; H1002-T1010 WeakPolarHBondContact O-CB 3.24Å; H1002-T1010 VanDerWaalsContact O-CG2 3.3Å; H1002-T1010 WeakPolarHBondContact O-CG2 3.37Å; H1002-F1011 HydrophobicContact CB-CD2 4.26Å; H1002-F1011 HydrophobicContact CB-CE1 4.3Å; H1002-F1011 HydrophobicContact CB-CE2 3.91Å; H1002-F1011 HydrophobicContact CB-CZ 3.93Å; H1002-F1011 WeakPolarHBondContact CB-O 3.21Å; H1002-F1011 PolarHBondContact O-N 2.65Å; H1002-I1013 PolarHBondContact CD2-O 2.85Å; H1002-I1013 PolarHBondContact NE2-O 2.99Å; H1002-F1015 AromaticContact NE2-CE1 3.96Å; H1002-L1087 WeakPolarHBondContact CA-O 3.39Å; H1002-H1089 AromaticContact CE1-NE2 3.78Å; H1002-H1089 AromaticContact CG-NE2 3.53Å; H1002-H1089 AromaticContact ND1-CD2 3.7Å; H1002-H1089 AromaticContact ND1-CE1 3.85Å; H1002-H1089 AromaticContact ND1-NE2 2.81Å; H1002-H1089 PolarHBondContact ND1-NE2 2.99Å
1003	F	91.7	Very high	87.8	Confident	0 Å²	0	39.2 Å²	39.2	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	163.7	171.1	75.9	-78	0	0	0	109.4	E1006 T1010 F1011 A1049 W1084 L1087 D1088 H1089	F1003-E1006 WeakPolarHBondContact CD2-O 3.42Å; F1003-T1010 HydrophobicContact CB-CG2 3.82Å; F1003-F1011 WeakPolarHBondContact O-CE1 3.29Å; F1003-A1049 HydrophobicContact CZ-CB 4.43Å; F1003-W1084 HydrophobicContact CD1-CH2 4.31Å; F1003-W1084 HydrophobicContact CD1-CZ3 4.42Å; F1003-L1087 PolarHBondContact N-O 2.82Å; F1003-L1087 VanDerWaalsContact O-O 3.12Å; F1003-D1088 HydrophobicContact CD1-CB 4.35Å; F1003-D1088 HydrophobicContact CE1-CB 3.74Å; F1003-D1088 HydrophobicContact CE2-CB 3.99Å; F1003-D1088 HydrophobicContact CZ-CB 3.55Å; F1003-D1088 VanDerWaalsContact O-CA 3.31Å; F1003-D1088 WeakPolarHBondContact O-CA 3.45Å; F1003-H1089 PolarHBondContact O-N 2.96Å; F1003-H1089 VanDerWaalsContact O-N 3.15Å
1004	H	87.6	Confident	88.6	Confident	49 Å²	49	32.4 Å²	32.4	23%	0.227	18%	0.175	C	C	.	.			trans	-130.3	126.1	170.9	-175.2	54.1	0	0	0	106.7	E1006 G1009 F1011 D1088 H1089 F1090	H1004-E1006 PolarHBondContact O-N 3.36Å; H1004-G1009 PolarHBondContact N-O 3.43Å; H1004-F1011 HydrophobicContact CB-CD1 4.4Å; H1004-F1011 HydrophobicContact CB-CE1 3.74Å; H1004-D1088 IonicContact ND1-OD1 3.21Å; H1004-H1089 WeakPolarHBondContact CB-O 3.47Å; H1004-H1089 PolarHBondContact ND1-O 2.97Å; H1004-F1090 AromaticContact CE1-CD1 3.48Å; H1004-F1090 VanDerWaalsContact CE1-CD1 3.48Å; H1004-F1090 WeakPolarHBondContact CE1-CD1 3.18Å; H1004-F1090 AromaticContact CE1-CE1 3.37Å; H1004-F1090 WeakPolarHBondContact CE1-CE1 3.45Å; H1004-F1090 AromaticContact CE1-CG 3.91Å; H1004-F1090 AromaticContact CE1-CZ 3.69Å; H1004-F1090 AromaticContact NE2-CD1 3.6Å; H1004-F1090 AromaticContact NE2-CE1 3.37Å; H1004-F1090 WeakPolarHBondContact NE2-CE1 3.4Å
1005	K	78.9	Confident	89	Confident	51 Å²	51	30.5 Å²	30.5	22%	0.222	16%	0.163	C	C	.	.	S	Bend	trans	66.9	-76.6	170.4	-90.3	-179.7	170.9	-167.7	0	112.6	D377 D1088	D377-K1005 HydrophobicContact CB-CB 3.82Å; D377-K1005 HydrophobicContact CB-CD 4.01Å; D377-K1005 HydrophobicContact CB-CG 4.27Å; D377-K1005 VanDerWaalsContact CG-C 3.47Å; D377-K1005 PolarHBondContact O-NZ 3Å; D377-K1005 WeakPolarHBondContact OD1-CA 3.09Å; D377-K1005 WeakPolarHBondContact OD1-CB 3.42Å; D377-K1005 WeakPolarHBondContact OD1-CG 3.38Å; K1005-D1088 PolarHBondContact N-OD1 3.18Å
1006	E	82.2	Confident	89.2	Confident	85 Å²	85	29.3 Å²	29.3	40%	0.397	16%	0.158	S	C	.	.	S	Bend	trans	-87.1	136.3	175.2	-67.5	-175.4	-176.3	0	0	111.5	D377 F1003 H1004 F1008 G1009	D377-E1006 HydrophobicContact CB-CG 3.59Å; D377-E1006 WeakPolarHBondContact OD2-CA 3.49Å; D377-E1006 WeakPolarHBondContact OD2-CG 3.3Å; D377-E1006 PolarHBondContact OD2-N 3.13Å; F1003-E1006 WeakPolarHBondContact CD2-O 3.42Å; H1004-E1006 PolarHBondContact O-N 3.36Å; E1006-F1008 PolarHBondContact O-N 3.48Å; E1006-F1008 VanDerWaalsContact O-N 3.09Å; E1006-G1009 WeakPolarHBondContact O-CA 3.31Å; E1006-G1009 PolarHBondContact O-N 3.02Å
1007	V	82.5	Confident	89.4	Confident	9 Å²	9	28 Å²	28	6%	0.055	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-22.3	176.5	-179.4	0	0	0	0	113.1	K956 V1051 H1056 W1084	K956-V1007 PolarHBondContact NZ-O 3.2Å; V1007-V1051 HydrophobicContact CG1-CB 4.43Å; V1007-V1051 HydrophobicContact CG1-CG1 3.25Å; V1007-V1051 HydrophobicContact CG1-CG2 4.37Å; V1007-H1056 HydrophobicContact CG2-CB 3.82Å; V1007-H1056 WeakPolarHBondContact CG2-ND1 3.49Å; V1007-W1084 HydrophobicContact CG1-CH2 4.29Å; V1007-W1084 HydrophobicContact CG1-CZ2 3.73Å
1008	F	82	Confident	89.5	Confident	149 Å²	149	27.4 Å²	27.4	65%	0.654	15%	0.147	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.1	-18.5	175.6	-57.6	-74	0	0	0	112.8	E1006 T1010	E1006-F1008 PolarHBondContact O-N 3.48Å; E1006-F1008 VanDerWaalsContact O-N 3.09Å; F1008-T1010 PolarHBondContact O-N 3.22Å
1009	G	84.8	Confident	89.4	Confident	34 Å²	34	27.5 Å²	27.5	35%	0.351	15%	0.148	S	C	.	.			trans	-78.9	51.1	176	0	0	0	0	0	112.8	H1004 E1006	H1004-G1009 PolarHBondContact N-O 3.43Å; E1006-G1009 WeakPolarHBondContact O-CA 3.31Å; E1006-G1009 PolarHBondContact O-N 3.02Å
1010	T	89.9	Confident	89.4	Confident	13 Å²	13	32.8 Å²	32.8	8%	0.08	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	148.2	179.1	34.9	0	0	0	0	112.9	S954 Y955 K956 A1001 H1002 F1003 F1008 W1084	S954-T1010 WeakPolarHBondContact O-CB 3.35Å; S954-T1010 PolarHBondContact O-OG1 3Å; Y955-T1010 WeakPolarHBondContact CD2-O 3.48Å; K956-T1010 HydrophobicContact CD-CG2 4.17Å; K956-T1010 WeakPolarHBondContact CE-OG1 3.41Å; K956-T1010 HydrophobicContact CG-CG2 3.95Å; A1001-T1010 HydrophobicContact CB-CG2 4.4Å; H1002-T1010 CarbonylContact O-C 3.55Å; H1002-T1010 WeakPolarHBondContact O-CA 3.46Å; H1002-T1010 WeakPolarHBondContact O-CB 3.24Å; H1002-T1010 VanDerWaalsContact O-CG2 3.3Å; H1002-T1010 WeakPolarHBondContact O-CG2 3.37Å; F1003-T1010 HydrophobicContact CB-CG2 3.82Å; F1008-T1010 PolarHBondContact O-N 3.22Å; T1010-W1084 HydrophobicContact CG2-CH2 3.87Å; T1010-W1084 HydrophobicContact CG2-CZ3 4.43Å
1011	F	88.6	Confident	89.3	Confident	18 Å²	18	36.9 Å²	36.9	8%	0.079	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.7	-178.6	-179.4	66.8	-89.7	0	0	0	110.6	H1002 F1003 H1004 H1089 N1091	H1002-F1011 HydrophobicContact CB-CD2 4.26Å; H1002-F1011 HydrophobicContact CB-CE1 4.3Å; H1002-F1011 HydrophobicContact CB-CE2 3.91Å; H1002-F1011 HydrophobicContact CB-CZ 3.93Å; H1002-F1011 WeakPolarHBondContact CB-O 3.21Å; H1002-F1011 PolarHBondContact O-N 2.65Å; F1003-F1011 WeakPolarHBondContact O-CE1 3.29Å; H1004-F1011 HydrophobicContact CB-CD1 4.4Å; H1004-F1011 HydrophobicContact CB-CE1 3.74Å; F1011-H1089 AromaticContact CE2-CE1 3.64Å; F1011-H1089 AromaticContact CZ-CE1 3.68Å; F1011-H1089 AromaticContact CZ-ND1 3.89Å; F1011-H1089 VanDerWaalsContact CZ-O 3.28Å; F1011-H1089 WeakPolarHBondContact CZ-O 3.44Å; F1011-N1091 HydrophobicContact CD1-CB 3.98Å; F1011-N1091 HydrophobicContact CD2-CB 3.47Å; F1011-N1091 VanDerWaalsContact CD2-CB 3.47Å; F1011-N1091 WeakPolarHBondContact CD2-OD1 3.36Å; F1011-N1091 HydrophobicContact CE1-CB 3.93Å; F1011-N1091 VanDerWaalsContact CE2-CA 3.42Å; F1011-N1091 HydrophobicContact CE2-CB 3.44Å; F1011-N1091 VanDerWaalsContact CE2-CB 3.44Å; F1011-N1091 HydrophobicContact CG-CB 3.77Å; F1011-N1091 HydrophobicContact CZ-CB 3.68Å
1012	G	88.4	Confident	89	Confident	30 Å²	30	38.7 Å²	38.7	31%	0.309	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	75.4	-159	173	0	0	0	0	0	113	Y955 P1014	Y955-G1012 VanDerWaalsContact CD1-O 3.29Å; Y955-G1012 WeakPolarHBondContact CD1-O 3.14Å; G1012-P1014 WeakPolarHBondContact O-CD 3.41Å
1013	I	90.6	Very high	88.9	Confident	46 Å²	46	39.4 Å²	39.4	24%	0.236	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	102.9	-174.1	-57.9	173.2	0	0	0	107.5	L907 F911 E913 R979 H1002	L907-I1013 HydrophobicContact CD1-CG2 3.9Å; F911-I1013 HydrophobicContact CE1-CG2 4.49Å; E913-I1013 HydrophobicContact CG-CD1 4.07Å; E913-I1013 HydrophobicContact CG-CG1 4.15Å; E913-I1013 HydrophobicContact CG-CG2 4.29Å; R979-I1013 VanDerWaalsContact NH1-CG2 3.33Å; H1002-I1013 PolarHBondContact CD2-O 2.85Å; H1002-I1013 PolarHBondContact NE2-O 2.99Å
1014	P	93.4	Very high	88.8	Confident	2 Å²	2	42.8 Å²	42.8	1%	0.013	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	154.8	175.6	31	-36.6	0	0	0	110.3	I952 Y955 I957 R979 V1000 A1001 G1012	I952-P1014 HydrophobicContact CD1-CG 4.03Å; I952-P1014 HydrophobicContact CG1-CG 4.42Å; I952-P1014 HydrophobicContact CG2-CG 4.08Å; Y955-P1014 WeakPolarHBondContact O-CB 3.46Å; Y955-P1014 WeakPolarHBondContact O-CG 3.37Å; I957-P1014 HydrophobicContact CD1-CB 4.15Å; I957-P1014 HydrophobicContact CD1-CG 4.5Å; I957-P1014 HydrophobicContact CG1-CB 3.96Å; I957-P1014 HydrophobicContact CG1-CG 4.02Å; R979-P1014 PolarHBondContact NH1-O 3.02Å; R979-P1014 PolarHBondContact NH2-O 3.22Å; V1000-P1014 CarbonylContact O-C 3.59Å; V1000-P1014 VanDerWaalsContact O-CA 3.24Å; V1000-P1014 WeakPolarHBondContact O-CA 3.44Å; V1000-P1014 WeakPolarHBondContact O-CB 3.49Å; A1001-P1014 HydrophobicContact CB-CB 4.16Å; G1012-P1014 WeakPolarHBondContact O-CD 3.41Å
1015	F	93.3	Very high	89	Confident	2 Å²	2	40.7 Å²	40.7	1%	0.009	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	163.1	-180	57.8	-86.2	0	0	0	112.3	F911 V1000 H1002 L1017 I1032 M1035 L1036 L1087	F911-F1015 HydrophobicContact CE1-CB 3.81Å; F911-F1015 AromaticContact CE1-CD1 3.95Å; F911-F1015 HydrophobicContact CE1-CD1 3.95Å; F911-F1015 AromaticContact CE1-CG 3.97Å; F911-F1015 HydrophobicContact CE1-CG 3.97Å; F911-F1015 HydrophobicContact CZ-CB 3.44Å; F911-F1015 VanDerWaalsContact CZ-CB 3.44Å; F911-F1015 HydrophobicContact CZ-CD1 4.25Å; F911-F1015 HydrophobicContact CZ-CD2 4.37Å; F911-F1015 AromaticContact CZ-CG 3.8Å; F911-F1015 HydrophobicContact CZ-CG 3.8Å; V1000-F1015 WeakPolarHBondContact CA-O 3.43Å; V1000-F1015 HydrophobicContact CB-CD1 4.42Å; V1000-F1015 HydrophobicContact CB-CD2 4.08Å; V1000-F1015 HydrophobicContact CB-CE1 4.17Å; V1000-F1015 HydrophobicContact CB-CE2 3.83Å; V1000-F1015 HydrophobicContact CB-CG 4.37Å; V1000-F1015 HydrophobicContact CB-CZ 3.88Å; V1000-F1015 WeakPolarHBondContact CB-O 3.46Å; V1000-F1015 HydrophobicContact CG1-CE1 3.9Å; V1000-F1015 HydrophobicContact CG1-CE2 3.99Å; V1000-F1015 HydrophobicContact CG1-CZ 3.56Å; V1000-F1015 HydrophobicContact CG2-CD2 4.24Å; V1000-F1015 HydrophobicContact CG2-CE2 3.91Å; V1000-F1015 HydrophobicContact CG2-CZ 4.36Å; V1000-F1015 PolarHBondContact N-O 3.05Å; V1000-F1015 PolarHBondContact O-N 3.23Å; H1002-F1015 AromaticContact NE2-CE1 3.96Å; F1015-L1017 HydrophobicContact CD2-CB 4.45Å; F1015-L1017 HydrophobicContact CE2-CB 4.28Å; F1015-L1017 HydrophobicContact CE2-CD1 4.48Å; F1015-I1032 HydrophobicContact CZ-CG1 4.49Å; F1015-I1032 HydrophobicContact CZ-CG2 4.21Å; F1015-M1035 HydrophobicContact CD2-CE 3.61Å; F1015-M1035 HydrophobicContact CD2-SD 4.42Å; F1015-M1035 HydrophobicContact CE2-CE 4.02Å; F1015-M1035 HydrophobicContact CE2-SD 4.27Å; F1015-M1035 HydrophobicContact CG-CE 4.33Å; F1015-L1036 HydrophobicContact CE1-CD2 3.83Å; F1015-L1036 HydrophobicContact CZ-CD2 4.37Å; F1015-L1087 HydrophobicContact CE1-CD1 4.08Å; F1015-L1087 HydrophobicContact CZ-CD1 4.01Å
1016	L	93.2	Very high	89.3	Confident	11 Å²	11	46.1 Å²	46.1	6%	0.058	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	134.8	172.6	-69.9	165.3	0	0	0	109.9	L950 I957 V960 Q987 I998 P999	L950-L1016 HydrophobicContact CD2-CD1 3.8Å; I957-L1016 HydrophobicContact CD1-CG 4.11Å; V960-L1016 HydrophobicContact CG2-CD1 3.82Å; Q987-L1016 PolarHBondContact NE2-O 3.17Å; I998-L1016 WeakPolarHBondContact O-CA 3.31Å; P999-L1016 HydrophobicContact CB-CD2 4.29Å
1017	L	92.9	Very high	89.7	Confident	3 Å²	3	45.9 Å²	45.9	2%	0.016	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	135.1	180	-176	69.8	0	0	0	109.9	L997 I998 V1000 F1015 I1019 V1028 R1031 I1032 M1035 L1085	L997-L1017 WeakPolarHBondContact CA-O 3.47Å; I998-L1017 HydrophobicContact CG1-CB 4.38Å; I998-L1017 WeakPolarHBondContact CG1-O 3.3Å; I998-L1017 PolarHBondContact N-O 2.73Å; I998-L1017 PolarHBondContact O-N 3.14Å; V1000-L1017 HydrophobicContact CG2-CB 3.51Å; V1000-L1017 HydrophobicContact CG2-CD2 4.14Å; V1000-L1017 HydrophobicContact CG2-CG 4.49Å; F1015-L1017 HydrophobicContact CD2-CB 4.45Å; F1015-L1017 HydrophobicContact CE2-CB 4.28Å; F1015-L1017 HydrophobicContact CE2-CD1 4.48Å; L1017-I1019 HydrophobicContact CD2-CG2 4.4Å; L1017-V1028 HydrophobicContact CD2-CG1 3.62Å; L1017-R1031 HydrophobicContact CD1-CB 4.46Å; L1017-I1032 HydrophobicContact CD1-CG1 4.33Å; L1017-I1032 HydrophobicContact CD2-CD1 3.69Å; L1017-I1032 HydrophobicContact CD2-CG1 3.56Å; L1017-M1035 HydrophobicContact CD1-SD 3.71Å; L1017-L1085 HydrophobicContact CD2-CD2 4.32Å
1018	K	93.1	Very high	90.1	Very high	33 Å²	33	45.5 Å²	45.5	14%	0.143	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	131.1	169.8	-177.9	175.4	73.5	161.9	0	110.1	D986 L990 E995 M996 L997 R1031	D986-K1018 WeakPolarHBondContact O-CD 3.37Å; D986-K1018 WeakPolarHBondContact O-CE 3.01Å; D986-K1018 PolarHBondContact O-NZ 2.82Å; L990-K1018 HydrophobicContact CD2-CB 4.49Å; L990-K1018 HydrophobicContact CD2-CD 3.38Å; L990-K1018 HydrophobicContact CD2-CG 3.8Å; E995-K1018 HydrophobicContact CB-CD 4.4Å; E995-K1018 HydrophobicContact CB-CG 4.47Å; E995-K1018 HydrophobicContact CG-CD 4.46Å; E995-K1018 IonicContact OE1-NZ 2.86Å; E995-K1018 PolarHBondContact OE1-NZ 2.96Å; E995-K1018 IonicContact OE2-NZ 2.71Å; M996-K1018 CarbonylContact O-C 3.53Å; M996-K1018 WeakPolarHBondContact O-CA 3.36Å; L997-K1018 HydrophobicContact CD2-CB 4.09Å; K1018-R1031 PolarHBondContact O-NH1 2.86Å; K1018-R1031 PolarHBondContact O-NH2 3.46Å
1019	I	91.6	Very high	90.4	Very high	3 Å²	3	39.7 Å²	39.7	2%	0.015	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	155	169.1	58.8	161.7	0	0	0	110.5	E995 M996 I998 L1017 E1023 V1028 V1066 L1068 F1071	E995-I1019 CarbonylContact C-O 3.6Å; E995-I1019 VanDerWaalsContact CA-O 3.29Å; E995-I1019 WeakPolarHBondContact CA-O 3.26Å; M996-I1019 HydrophobicContact CB-CG1 4.15Å; M996-I1019 PolarHBondContact N-O 3.1Å; M996-I1019 WeakPolarHBondContact O-CG1 3.37Å; M996-I1019 PolarHBondContact O-N 3.25Å; I998-I1019 HydrophobicContact CD1-CD1 3.99Å; I998-I1019 HydrophobicContact CD1-CG1 4.3Å; I998-I1019 HydrophobicContact CD1-CG2 3.75Å; I998-I1019 HydrophobicContact CG1-CD1 4.31Å; I998-I1019 HydrophobicContact CG1-CG1 4.23Å; I998-I1019 HydrophobicContact CG1-CG2 4.05Å; I998-I1019 HydrophobicContact CG2-CD1 3.7Å; I998-I1019 HydrophobicContact CG2-CG1 4.01Å; L1017-I1019 HydrophobicContact CD2-CG2 4.4Å; I1019-E1023 WeakPolarHBondContact CA-OE1 3.41Å; I1019-V1028 HydrophobicContact CG2-CG1 4.16Å; I1019-V1028 HydrophobicContact CG2-CG2 4.49Å; I1019-V1066 HydrophobicContact CB-CG1 4.09Å; I1019-V1066 HydrophobicContact CD1-CG1 3.84Å; I1019-V1066 HydrophobicContact CG1-CG1 4.39Å; I1019-L1068 HydrophobicContact CD1-CD2 3.68Å; I1019-L1068 HydrophobicContact CG1-CD2 3.82Å; I1019-F1071 HydrophobicContact CD1-CB 4.49Å; I1019-F1071 HydrophobicContact CD1-CD2 3.54Å; I1019-F1071 HydrophobicContact CD1-CE2 3.89Å; I1019-F1071 HydrophobicContact CD1-CG 4.05Å
1020	R	91.4	Very high	90.6	Very high	137 Å²	137	44.6 Å²	44.6	52%	0.517	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	138.8	-177.2	-170.6	179.6	-173.7	-174.8	1.9	111.2	T994 E995 G1022 E1023 V1066	T994-R1020 CarbonylContact O-C 3.37Å; T994-R1020 VanDerWaalsContact O-CA 3.29Å; T994-R1020 WeakPolarHBondContact O-CA 3.49Å; T994-R1020 VanDerWaalsContact O-CG 3.31Å; T994-R1020 WeakPolarHBondContact O-CG 3.44Å; E995-R1020 HydrophobicContact CG-CB 4.41Å; E995-R1020 HydrophobicContact CG-CG 4.14Å; R1020-G1022 PolarHBondContact O-N 2.9Å; R1020-E1023 HydrophobicContact CB-CB 4.3Å; R1020-E1023 HydrophobicContact CB-CG 4.37Å; R1020-E1023 VanDerWaalsContact N-CD 3.34Å; R1020-E1023 PolarHBondContact N-OE1 3.05Å; R1020-E1023 VanDerWaalsContact O-CG 3.27Å; R1020-E1023 WeakPolarHBondContact O-CG 3.37Å; R1020-E1023 PolarHBondContact O-N 3.27Å; R1020-V1066 WeakPolarHBondContact O-CB 3.31Å; R1020-V1066 WeakPolarHBondContact O-CG1 3.44Å
1021	Q	91.4	Very high	90.6	Very high	87 Å²	87	46.3 Å²	46.3	41%	0.407	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.5	128.4	177.6	-174.8	69.1	32.7	0	0	111.3	T994 E1023 N1067 L1068	T994-Q1021 PolarHBondContact O-N 3.21Å; Q1021-E1023 VanDerWaalsContact C-N 3.27Å; Q1021-E1023 PolarHBondContact O-N 3.3Å; Q1021-N1067 PolarHBondContact NE2-OD1 3.18Å; Q1021-L1068 HydrophobicContact CB-CD1 4.04Å; Q1021-L1068 HydrophobicContact CB-CG 4.02Å; Q1021-L1068 VanDerWaalsContact OE1-CB 3.23Å
1022	G	87.2	Confident	90.7	Very high	39 Å²	39	45.5 Å²	45.5	40%	0.402	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	74	10.2	177.3	0	0	0	0	0	114.7	R1020 V1066	R1020-G1022 PolarHBondContact O-N 2.9Å; G1022-V1066 PolarHBondContact N-O 3.4Å
1023	E	91.4	Very high	90.6	Very high	27 Å²	27	46.2 Å²	46.2	13%	0.126	21%	0.213	C	C	.	.			trans	-76.7	140.3	174.6	80.7	-173.5	153.7	0	0	111.1	I1019 R1020 Q1021 F1025 V1028 R1031 V1066	I1019-E1023 WeakPolarHBondContact CA-OE1 3.41Å; R1020-E1023 HydrophobicContact CB-CB 4.3Å; R1020-E1023 HydrophobicContact CB-CG 4.37Å; R1020-E1023 VanDerWaalsContact N-CD 3.34Å; R1020-E1023 PolarHBondContact N-OE1 3.05Å; R1020-E1023 VanDerWaalsContact O-CG 3.27Å; R1020-E1023 WeakPolarHBondContact O-CG 3.37Å; R1020-E1023 PolarHBondContact O-N 3.27Å; Q1021-E1023 VanDerWaalsContact C-N 3.27Å; Q1021-E1023 PolarHBondContact O-N 3.3Å; E1023-F1025 PolarHBondContact O-N 2.72Å; E1023-V1028 HydrophobicContact CG-CG2 3.97Å; E1023-V1028 WeakPolarHBondContact OE1-CG2 3.31Å; E1023-R1031 IonicContact OE1-CZ 2.64Å; E1023-R1031 IonicContact OE1-NH2 3.13Å; E1023-R1031 PolarHBondContact OE1-NH2 3.1Å; E1023-R1031 IonicContact OE2-CZ 3.99Å; E1023-R1031 IonicContact OE2-NH1 3.9Å; E1023-R1031 IonicContact OE2-NH2 2.64Å; E1023-R1031 PolarHBondContact OE2-NH2 2.93Å; E1023-V1066 HydrophobicContact CG-CB 3.89Å; E1023-V1066 HydrophobicContact CG-CG2 3.58Å; E1023-V1066 WeakPolarHBondContact O-CG2 3.36Å; E1023-V1066 PolarHBondContact O-N 2.83Å
1024	P	91	Very high	90.4	Very high	71 Å²	71	48.9 Å²	48.9	46%	0.461	23%	0.232	S	C	.	.	B	Isolated β-bridge	trans	-62.8	136.2	174.1	-22.2	33	0	0	0	111.2	R1026 E1027	P1024-R1026 PolarHBondContact O-N 3.46Å; P1024-R1026 VanDerWaalsContact O-N 3.09Å; P1024-E1027 PolarHBondContact O-N 3.43Å
1025	F	90.2	Very high	90	Very high	4 Å²	4	51.3 Å²	51.3	2%	0.018	24%	0.244	C	C	.	.	H	α-helix	trans	-59.4	-27.3	-178.1	-166.1	-112.3	0	0	0	113.8	E1023 E1027 V1028 M1029 F1048 I1059 Y1064 L1085	E1023-F1025 PolarHBondContact O-N 2.72Å; F1025-E1027 PolarHBondContact O-N 3.07Å; F1025-V1028 HydrophobicContact CD2-CB 3.99Å; F1025-V1028 HydrophobicContact CD2-CG1 4.4Å; F1025-V1028 HydrophobicContact CD2-CG2 4.08Å; F1025-V1028 HydrophobicContact CE2-CB 4.11Å; F1025-V1028 HydrophobicContact CE2-CG1 4.06Å; F1025-V1028 WeakPolarHBondContact O-CA 3.48Å; F1025-V1028 VanDerWaalsContact O-CB 3.28Å; F1025-V1028 WeakPolarHBondContact O-CB 3.28Å; F1025-V1028 PolarHBondContact O-N 3Å; F1025-M1029 HydrophobicContact CD1-CG 3.72Å; F1025-M1029 HydrophobicContact CD1-SD 3.7Å; F1025-M1029 HydrophobicContact CE1-CG 3.53Å; F1025-M1029 HydrophobicContact CE1-SD 3.82Å; F1025-M1029 HydrophobicContact CZ-CG 4.24Å; F1025-M1029 WeakPolarHBondContact O-CG 3.37Å; F1025-M1029 PolarHBondContact O-N 3.39Å; F1025-F1048 HydrophobicContact CE1-CB 3.58Å; F1025-F1048 HydrophobicContact CE1-CD1 4.01Å; F1025-F1048 AromaticContact CE1-CD2 3.78Å; F1025-F1048 HydrophobicContact CE1-CD2 3.78Å; F1025-F1048 AromaticContact CE1-CG 3.5Å; F1025-F1048 HydrophobicContact CE1-CG 3.5Å; F1025-F1048 HydrophobicContact CZ-CB 3.45Å; F1025-F1048 VanDerWaalsContact CZ-CB 3.45Å; F1025-F1048 AromaticContact CZ-CD1 3.69Å; F1025-F1048 HydrophobicContact CZ-CD1 3.69Å; F1025-F1048 HydrophobicContact CZ-CD2 4.28Å; F1025-F1048 AromaticContact CZ-CG 3.53Å; F1025-F1048 HydrophobicContact CZ-CG 3.53Å; F1025-I1059 HydrophobicContact CD1-CG2 4.06Å; F1025-I1059 HydrophobicContact CD2-CD1 4.39Å; F1025-I1059 HydrophobicContact CD2-CG2 4.4Å; F1025-I1059 HydrophobicContact CE1-CG2 4.25Å; F1025-I1059 HydrophobicContact CE2-CD1 3.78Å; F1025-I1059 HydrophobicContact CG-CG2 4.14Å; F1025-I1059 HydrophobicContact CZ-CD1 3.88Å; F1025-Y1064 HydrophobicContact CB-CD1 3.95Å; F1025-Y1064 WeakPolarHBondContact CB-O 3.16Å; F1025-Y1064 AromaticContact CD2-CD1 3.83Å; F1025-Y1064 HydrophobicContact CD2-CD1 3.83Å; F1025-Y1064 HydrophobicContact CD2-CE1 4.2Å; F1025-Y1064 HydrophobicContact CG-CD1 4.01Å; F1025-Y1064 PolarHBondContact N-O 2.99Å; F1025-Y1064 VanDerWaalsContact N-O 3.11Å; F1025-L1085 HydrophobicContact CE2-CD1 4.43Å; F1025-L1085 HydrophobicContact CZ-CD1 4.38Å
1026	R	87.3	Confident	89.5	Confident	165 Å²	165	53 Å²	53	62%	0.623	25%	0.252	S	S	*	.	H	α-helix	trans	-56	-34.4	173.6	-175	177.9	-84	-172	-1.4	113.1	P1024 M1029 R1030 D1062	P1024-R1026 PolarHBondContact O-N 3.46Å; P1024-R1026 VanDerWaalsContact O-N 3.09Å; R1026-M1029 PolarHBondContact O-N 3.48Å; R1026-R1030 PolarHBondContact O-N 3.02Å; R1026-D1062 IonicContact NH2-OD1 3.44Å; R1026-D1062 PolarHBondContact NH2-OD1 3.46Å
1027	E	89.3	Confident	89.1	Confident	81 Å²	81	59.7 Å²	59.7	38%	0.379	29%	0.288	S	S	.	.	H	α-helix	trans	-74.9	-29.8	175.5	-70.2	-60.5	147.5	0	0	112.5	P1024 F1025 R1030 R1031	P1024-E1027 PolarHBondContact O-N 3.43Å; F1025-E1027 PolarHBondContact O-N 3.07Å; E1027-R1030 IonicContact OE2-CZ 3.35Å; E1027-R1030 IonicContact OE2-NE 2.98Å; E1027-R1030 PolarHBondContact OE2-NE 2.81Å; E1027-R1030 IonicContact OE2-NH2 2.82Å; E1027-R1030 PolarHBondContact OE2-NH2 2.84Å; E1027-R1031 WeakPolarHBondContact O-CG 3.47Å; E1027-R1031 PolarHBondContact O-N 2.85Å; E1027-R1031 PolarHBondContact O-NE 2.71Å
1028	V	90.5	Very high	88.6	Confident	1 Å²	1	61.5 Å²	61.5	1%	0.006	30%	0.298	C	S	.	.	H	α-helix	trans	-66.3	-46.6	170.5	-171.7	0	0	0	0	109.9	L1017 I1019 E1023 F1025 R1030 R1031 I1032 V1066	L1017-V1028 HydrophobicContact CD2-CG1 3.62Å; I1019-V1028 HydrophobicContact CG2-CG1 4.16Å; I1019-V1028 HydrophobicContact CG2-CG2 4.49Å; E1023-V1028 HydrophobicContact CG-CG2 3.97Å; E1023-V1028 WeakPolarHBondContact OE1-CG2 3.31Å; F1025-V1028 HydrophobicContact CD2-CB 3.99Å; F1025-V1028 HydrophobicContact CD2-CG1 4.4Å; F1025-V1028 HydrophobicContact CD2-CG2 4.08Å; F1025-V1028 HydrophobicContact CE2-CB 4.11Å; F1025-V1028 HydrophobicContact CE2-CG1 4.06Å; F1025-V1028 WeakPolarHBondContact O-CA 3.48Å; F1025-V1028 VanDerWaalsContact O-CB 3.28Å; F1025-V1028 WeakPolarHBondContact O-CB 3.28Å; F1025-V1028 PolarHBondContact O-N 3Å; V1028-R1030 PolarHBondContact O-N 3.41Å; V1028-R1031 PolarHBondContact O-N 3.04Å; V1028-I1032 HydrophobicContact CG1-CD1 4.04Å; V1028-I1032 WeakPolarHBondContact O-CG1 3.2Å; V1028-I1032 PolarHBondContact O-N 2.95Å; V1028-V1066 HydrophobicContact CG2-CG2 3.69Å
1029	M	89.4	Confident	88.1	Confident	27 Å²	27	66.6 Å²	66.6	13%	0.133	32%	0.322	C	S	.	.	H	α-helix	trans	-58.4	-46.9	176.7	-70	175.7	63.9	0	0	111.8	F1025 R1026 R1031 I1032 Q1033 F1043 F1048 E1061	F1025-M1029 HydrophobicContact CD1-CG 3.72Å; F1025-M1029 HydrophobicContact CD1-SD 3.7Å; F1025-M1029 HydrophobicContact CE1-CG 3.53Å; F1025-M1029 HydrophobicContact CE1-SD 3.82Å; F1025-M1029 HydrophobicContact CZ-CG 4.24Å; F1025-M1029 WeakPolarHBondContact O-CG 3.37Å; F1025-M1029 PolarHBondContact O-N 3.39Å; R1026-M1029 PolarHBondContact O-N 3.48Å; M1029-R1031 VanDerWaalsContact C-N 3.29Å; M1029-R1031 PolarHBondContact O-N 2.84Å; M1029-I1032 PolarHBondContact O-N 3.19Å; M1029-Q1033 WeakPolarHBondContact O-CB 3.47Å; M1029-Q1033 PolarHBondContact O-N 2.88Å; M1029-F1043 HydrophobicContact CB-CE1 3.98Å; M1029-F1043 HydrophobicContact CB-CZ 4.16Å; M1029-F1043 HydrophobicContact CE-CE1 4.29Å; M1029-F1043 WeakPolarHBondContact O-CE1 3.44Å; M1029-F1043 WeakPolarHBondContact O-CZ 3.29Å; M1029-F1048 HydrophobicContact CE-CD2 4.4Å; M1029-F1048 HydrophobicContact CE-CE2 3.63Å; M1029-F1048 HydrophobicContact CE-CZ 4.16Å; M1029-F1048 HydrophobicContact CG-CD2 4.36Å; M1029-F1048 HydrophobicContact CG-CE1 4.27Å; M1029-F1048 HydrophobicContact CG-CE2 3.95Å; M1029-F1048 HydrophobicContact CG-CZ 3.9Å; M1029-F1048 HydrophobicContact SD-CD2 4.41Å; M1029-F1048 HydrophobicContact SD-CE2 4.11Å; M1029-E1061 HydrophobicContact CE-CG 4.3Å; M1029-E1061 HydrophobicContact SD-CB 3.99Å; M1029-E1061 HydrophobicContact SD-CG 3.93Å
1030	R	87.6	Confident	87.6	Confident	136 Å²	136	73 Å²	73	51%	0.513	35%	0.352	S	S	.	.	H	α-helix	trans	-60	-37.5	177.8	-170.3	179	65.6	87.7	1.1	112.6	R1026 E1027 V1028 T1034	R1026-R1030 PolarHBondContact O-N 3.02Å; E1027-R1030 IonicContact OE2-CZ 3.35Å; E1027-R1030 IonicContact OE2-NE 2.98Å; E1027-R1030 PolarHBondContact OE2-NE 2.81Å; E1027-R1030 IonicContact OE2-NH2 2.82Å; E1027-R1030 PolarHBondContact OE2-NH2 2.84Å; V1028-R1030 PolarHBondContact O-N 3.41Å; R1030-T1034 PolarHBondContact O-N 2.69Å; R1030-T1034 VanDerWaalsContact O-N 3.09Å; R1030-T1034 PolarHBondContact O-OG1 3.05Å
1031	R	90.9	Very high	87.1	Confident	50 Å²	50	74 Å²	74	19%	0.189	36%	0.36	C	S	.	.	H	α-helix	trans	-66.3	-47	174.3	-77.2	-179.6	-69.2	164.2	4.3	111.6	L1017 K1018 E1023 E1027 V1028 M1029 Q1033 T1034 M1035	L1017-R1031 HydrophobicContact CD1-CB 4.46Å; K1018-R1031 PolarHBondContact O-NH1 2.86Å; K1018-R1031 PolarHBondContact O-NH2 3.46Å; E1023-R1031 IonicContact OE1-CZ 2.64Å; E1023-R1031 IonicContact OE1-NH2 3.13Å; E1023-R1031 PolarHBondContact OE1-NH2 3.1Å; E1023-R1031 IonicContact OE2-CZ 3.99Å; E1023-R1031 IonicContact OE2-NH1 3.9Å; E1023-R1031 IonicContact OE2-NH2 2.64Å; E1023-R1031 PolarHBondContact OE2-NH2 2.93Å; E1027-R1031 WeakPolarHBondContact O-CG 3.47Å; E1027-R1031 PolarHBondContact O-N 2.85Å; E1027-R1031 PolarHBondContact O-NE 2.71Å; V1028-R1031 PolarHBondContact O-N 3.04Å; M1029-R1031 VanDerWaalsContact C-N 3.29Å; M1029-R1031 PolarHBondContact O-N 2.84Å; R1031-Q1033 VanDerWaalsContact C-N 3.32Å; R1031-Q1033 PolarHBondContact O-N 2.85Å; R1031-T1034 PolarHBondContact O-N 3.07Å; R1031-M1035 VanDerWaalsContact O-CG 3.32Å; R1031-M1035 WeakPolarHBondContact O-CG 3.46Å; R1031-M1035 PolarHBondContact O-N 2.95Å
1032	I	89.9	Confident	86.6	Confident	0 Å²	0	73.2 Å²	73.2	0%	0	36%	0.356	C	S	.	.	H	α-helix	trans	-59.1	-44.7	176	-66.6	165.8	0	0	0	110.8	F1015 L1017 V1028 M1029 T1034 M1035 L1036 F1043 F1048 L1085 L1087	F1015-I1032 HydrophobicContact CZ-CG1 4.49Å; F1015-I1032 HydrophobicContact CZ-CG2 4.21Å; L1017-I1032 HydrophobicContact CD1-CG1 4.33Å; L1017-I1032 HydrophobicContact CD2-CD1 3.69Å; L1017-I1032 HydrophobicContact CD2-CG1 3.56Å; V1028-I1032 HydrophobicContact CG1-CD1 4.04Å; V1028-I1032 WeakPolarHBondContact O-CG1 3.2Å; V1028-I1032 PolarHBondContact O-N 2.95Å; M1029-I1032 PolarHBondContact O-N 3.19Å; I1032-T1034 VanDerWaalsContact C-N 3.33Å; I1032-T1034 PolarHBondContact O-N 2.79Å; I1032-M1035 PolarHBondContact O-N 2.75Å; I1032-L1036 HydrophobicContact CG2-CD1 3.62Å; I1032-L1036 HydrophobicContact CG2-CG 4.17Å; I1032-L1036 WeakPolarHBondContact O-CB 3.4Å; I1032-L1036 VanDerWaalsContact O-CG 3.31Å; I1032-L1036 WeakPolarHBondContact O-CG 3.47Å; I1032-L1036 PolarHBondContact O-N 3.31Å; I1032-F1043 HydrophobicContact CB-CE2 4.49Å; I1032-F1043 HydrophobicContact CB-CZ 4.24Å; I1032-F1043 HydrophobicContact CG2-CE2 3.92Å; I1032-F1043 HydrophobicContact CG2-CZ 4.16Å; I1032-F1048 HydrophobicContact CD1-CD1 4.26Å; I1032-F1048 HydrophobicContact CD1-CE1 3.88Å; I1032-L1085 HydrophobicContact CD1-CD2 3.84Å; I1032-L1087 HydrophobicContact CD1-CD2 4.18Å; I1032-L1087 HydrophobicContact CG2-CD1 3.91Å; I1032-L1087 HydrophobicContact CG2-CD2 4.45Å
1033	Q	87.9	Confident	86.6	Confident	46 Å²	46	71.9 Å²	71.9	22%	0.215	34%	0.339	C	S	.	.	H	α-helix	trans	-58.6	-44.9	178.2	-169.4	-178.7	5.6	0	0	112.2	M1029 R1031 L1036 D1037 I1038 F1043	M1029-Q1033 WeakPolarHBondContact O-CB 3.47Å; M1029-Q1033 PolarHBondContact O-N 2.88Å; R1031-Q1033 VanDerWaalsContact C-N 3.32Å; R1031-Q1033 PolarHBondContact O-N 2.85Å; Q1033-L1036 PolarHBondContact O-N 2.91Å; Q1033-D1037 PolarHBondContact O-N 3.14Å; Q1033-I1038 HydrophobicContact CG-CG1 4.5Å; Q1033-F1043 HydrophobicContact CB-CD1 3.75Å; Q1033-F1043 HydrophobicContact CB-CD2 4.44Å; Q1033-F1043 HydrophobicContact CB-CE1 3.58Å; Q1033-F1043 HydrophobicContact CB-CE2 4.26Å; Q1033-F1043 HydrophobicContact CB-CG 4.15Å; Q1033-F1043 HydrophobicContact CB-CZ 3.82Å; Q1033-F1043 HydrophobicContact CG-CB 4.23Å; Q1033-F1043 HydrophobicContact CG-CD1 3.69Å; Q1033-F1043 HydrophobicContact CG-CD2 4.48Å; Q1033-F1043 HydrophobicContact CG-CE1 4.08Å; Q1033-F1043 HydrophobicContact CG-CG 3.88Å
1034	T	86.1	Confident	86.2	Confident	102 Å²	102	77.5 Å²	77.5	63%	0.626	37%	0.366	S	S	*	.	H	α-helix	trans	-67.6	-39.4	179.6	-51.7	0	0	0	0	111.1	R1030 R1031 I1032	R1030-T1034 PolarHBondContact O-N 2.69Å; R1030-T1034 VanDerWaalsContact O-N 3.09Å; R1030-T1034 PolarHBondContact O-OG1 3.05Å; R1031-T1034 PolarHBondContact O-N 3.07Å; I1032-T1034 VanDerWaalsContact C-N 3.33Å; I1032-T1034 PolarHBondContact O-N 2.79Å
1035	M	83.6	Confident	85.9	Confident	53 Å²	53	82 Å²	82	26%	0.261	38%	0.378	S	S	.	.	H	α-helix	trans	-67.8	-36.8	177.8	-72.6	179.2	69	0	0	113.1	F911 F1015 L1017 R1031 I1032 D1037	F911-M1035 HydrophobicContact CE2-CE 3.84Å; F911-M1035 HydrophobicContact CZ-CE 3.71Å; F1015-M1035 HydrophobicContact CD2-CE 3.61Å; F1015-M1035 HydrophobicContact CD2-SD 4.42Å; F1015-M1035 HydrophobicContact CE2-CE 4.02Å; F1015-M1035 HydrophobicContact CE2-SD 4.27Å; F1015-M1035 HydrophobicContact CG-CE 4.33Å; L1017-M1035 HydrophobicContact CD1-SD 3.71Å; R1031-M1035 VanDerWaalsContact O-CG 3.32Å; R1031-M1035 WeakPolarHBondContact O-CG 3.46Å; R1031-M1035 PolarHBondContact O-N 2.95Å; I1032-M1035 PolarHBondContact O-N 2.75Å; M1035-D1037 VanDerWaalsContact C-N 3.34Å
1036	L	84	Confident	85.9	Confident	37 Å²	37	82.5 Å²	82.5	19%	0.194	38%	0.38	C	S	.	.	H	α-helix	trans	-82.2	-11.2	-178.9	-66.6	179.3	0	0	0	113.5	F1015 I1032 Q1033 I1038 F1046 L1087	F1015-L1036 HydrophobicContact CE1-CD2 3.83Å; F1015-L1036 HydrophobicContact CZ-CD2 4.37Å; I1032-L1036 HydrophobicContact CG2-CD1 3.62Å; I1032-L1036 HydrophobicContact CG2-CG 4.17Å; I1032-L1036 WeakPolarHBondContact O-CB 3.4Å; I1032-L1036 VanDerWaalsContact O-CG 3.31Å; I1032-L1036 WeakPolarHBondContact O-CG 3.47Å; I1032-L1036 PolarHBondContact O-N 3.31Å; Q1033-L1036 PolarHBondContact O-N 2.91Å; L1036-I1038 VanDerWaalsContact C-N 3.28Å; L1036-I1038 HydrophobicContact CB-CD1 3.94Å; L1036-I1038 HydrophobicContact CB-CG1 3.92Å; L1036-I1038 HydrophobicContact CB-CG2 4.21Å; L1036-I1038 HydrophobicContact CD1-CD1 3.96Å; L1036-I1038 WeakPolarHBondContact O-CG2 3.38Å; L1036-I1038 PolarHBondContact O-N 3.37Å; L1036-F1046 HydrophobicContact CD1-CE1 3.91Å; L1036-F1046 HydrophobicContact CD1-CZ 4.48Å; L1036-L1087 HydrophobicContact CD1-CD1 4.05Å
1037	D	84.1	Confident	86	Confident	152 Å²	152	80.3 Å²	80.3	81%	0.813	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	47.9	47.5	-177.3	-165.8	31.9	0	0	0	113.1	Q1033 M1035	Q1033-D1037 PolarHBondContact O-N 3.14Å; M1035-D1037 VanDerWaalsContact C-N 3.34Å
1038	I	82.4	Confident	86.2	Confident	41 Å²	41	76.5 Å²	76.5	21%	0.21	36%	0.357	C	S	.	.			trans	-108	146.8	-177.4	52.1	179.8	0	0	0	112.1	Q1033 L1036 F1043 F1046	Q1033-I1038 HydrophobicContact CG-CG1 4.5Å; L1036-I1038 VanDerWaalsContact C-N 3.28Å; L1036-I1038 HydrophobicContact CB-CD1 3.94Å; L1036-I1038 HydrophobicContact CB-CG1 3.92Å; L1036-I1038 HydrophobicContact CB-CG2 4.21Å; L1036-I1038 HydrophobicContact CD1-CD1 3.96Å; L1036-I1038 WeakPolarHBondContact O-CG2 3.38Å; L1036-I1038 PolarHBondContact O-N 3.37Å; I1038-F1043 HydrophobicContact CD1-CB 3.95Å; I1038-F1043 HydrophobicContact CD1-CD2 3.33Å; I1038-F1043 HydrophobicContact CD1-CE2 4.13Å; I1038-F1043 HydrophobicContact CD1-CG 4.01Å; I1038-F1043 HydrophobicContact CG1-CB 4.24Å; I1038-F1043 HydrophobicContact CG1-CD2 4.2Å; I1038-F1046 HydrophobicContact CD1-CE1 4.06Å; I1038-F1046 HydrophobicContact CD1-CE2 3.94Å; I1038-F1046 HydrophobicContact CD1-CZ 3.6Å
1039	Q	83.3	Confident	86.3	Confident	139 Å²	139	76.4 Å²	76.4	65%	0.65	36%	0.357	S	S	*	.			trans	-63.4	142	178.5	-64.4	-175.4	14.3	0	0	111.1	K1041 E1042 F1043	Q1039-K1041 VanDerWaalsContact C-N 3.31Å; Q1039-K1041 PolarHBondContact O-N 2.55Å; Q1039-E1042 HydrophobicContact CB-CG 4.19Å; Q1039-E1042 WeakPolarHBondContact O-CA 3.3Å; Q1039-E1042 WeakPolarHBondContact O-CB 3.33Å; Q1039-E1042 PolarHBondContact O-N 3.26Å; Q1039-F1043 PolarHBondContact O-N 2.75Å; Q1039-F1043 VanDerWaalsContact O-N 3.1Å
1040	E	81.8	Confident	86.4	Confident	138 Å²	138	76.3 Å²	76.3	65%	0.645	36%	0.356	S	S	*	.	H	α-helix	trans	-52	-45.7	-177.4	-165.2	172.6	-162.4	0	0	113	E1042 F1043 E1044	E1040-E1042 PolarHBondContact O-N 2.83Å; E1040-E1042 VanDerWaalsContact O-N 3.13Å; E1040-F1043 PolarHBondContact O-N 3.03Å; E1040-F1043 VanDerWaalsContact O-N 3.09Å; E1040-E1044 WeakPolarHBondContact O-CG 3.22Å; E1040-E1044 PolarHBondContact O-N 2.73Å
1041	K	80.8	Confident	86.5	Confident	158 Å²	158	69.8 Å²	69.8	69%	0.687	33%	0.332	S	S	*	.	H	α-helix	trans	-61	-23.2	176.8	-65.8	-176.1	178.7	179.9	0	114.9	Q1039	Q1039-K1041 VanDerWaalsContact C-N 3.31Å; Q1039-K1041 PolarHBondContact O-N 2.55Å
1042	E	80.6	Confident	86.2	Confident	70 Å²	70	70.7 Å²	70.7	33%	0.327	34%	0.339	S	S	.	.	H	α-helix	trans	-88.4	-35.3	177.6	-58.4	-169.2	139.3	0	0	111	Q1039 E1040 K1045 F1046 K1092	Q1039-E1042 HydrophobicContact CB-CG 4.19Å; Q1039-E1042 WeakPolarHBondContact O-CA 3.3Å; Q1039-E1042 WeakPolarHBondContact O-CB 3.33Å; Q1039-E1042 PolarHBondContact O-N 3.26Å; E1040-E1042 PolarHBondContact O-N 2.83Å; E1040-E1042 VanDerWaalsContact O-N 3.13Å; E1042-K1045 PolarHBondContact O-N 3.13Å; E1042-F1046 WeakPolarHBondContact O-CD2 3.33Å; E1042-K1092 IonicContact OE1-NZ 3.04Å; E1042-K1092 PolarHBondContact OE1-NZ 3.13Å; E1042-K1092 IonicContact OE2-NZ 3.96Å; E1042-K1092 PolarHBondContact OE2-NZ 2.88Å
1043	F	86.4	Confident	85.7	Confident	12 Å²	12	75.9 Å²	75.9	5%	0.053	37%	0.365	C	S	.	.	H	α-helix	trans	-71.1	-30.7	177.2	-167.5	-119.5	0	0	0	112.9	M1029 I1032 Q1033 I1038 Q1039 E1040 K1045 F1046 F1048	M1029-F1043 HydrophobicContact CB-CE1 3.98Å; M1029-F1043 HydrophobicContact CB-CZ 4.16Å; M1029-F1043 HydrophobicContact CE-CE1 4.29Å; M1029-F1043 WeakPolarHBondContact O-CE1 3.44Å; M1029-F1043 WeakPolarHBondContact O-CZ 3.29Å; I1032-F1043 HydrophobicContact CB-CE2 4.49Å; I1032-F1043 HydrophobicContact CB-CZ 4.24Å; I1032-F1043 HydrophobicContact CG2-CE2 3.92Å; I1032-F1043 HydrophobicContact CG2-CZ 4.16Å; Q1033-F1043 HydrophobicContact CB-CD1 3.75Å; Q1033-F1043 HydrophobicContact CB-CD2 4.44Å; Q1033-F1043 HydrophobicContact CB-CE1 3.58Å; Q1033-F1043 HydrophobicContact CB-CE2 4.26Å; Q1033-F1043 HydrophobicContact CB-CG 4.15Å; Q1033-F1043 HydrophobicContact CB-CZ 3.82Å; Q1033-F1043 HydrophobicContact CG-CB 4.23Å; Q1033-F1043 HydrophobicContact CG-CD1 3.69Å; Q1033-F1043 HydrophobicContact CG-CD2 4.48Å; Q1033-F1043 HydrophobicContact CG-CE1 4.08Å; Q1033-F1043 HydrophobicContact CG-CG 3.88Å; I1038-F1043 HydrophobicContact CD1-CB 3.95Å; I1038-F1043 HydrophobicContact CD1-CD2 3.33Å; I1038-F1043 HydrophobicContact CD1-CE2 4.13Å; I1038-F1043 HydrophobicContact CD1-CG 4.01Å; I1038-F1043 HydrophobicContact CG1-CB 4.24Å; I1038-F1043 HydrophobicContact CG1-CD2 4.2Å; Q1039-F1043 PolarHBondContact O-N 2.75Å; Q1039-F1043 VanDerWaalsContact O-N 3.1Å; E1040-F1043 PolarHBondContact O-N 3.03Å; E1040-F1043 VanDerWaalsContact O-N 3.09Å; F1043-K1045 PolarHBondContact O-N 3.25Å; F1043-F1046 HydrophobicContact CD2-CB 4.3Å; F1043-F1046 AromaticContact CD2-CD1 3.92Å; F1043-F1046 HydrophobicContact CD2-CD1 3.92Å; F1043-F1046 HydrophobicContact CD2-CD2 4.13Å; F1043-F1046 HydrophobicContact CD2-CE1 4.27Å; F1043-F1046 HydrophobicContact CD2-CE2 4.48Å; F1043-F1046 AromaticContact CD2-CG 3.85Å; F1043-F1046 HydrophobicContact CD2-CG 3.85Å; F1043-F1046 HydrophobicContact CE2-CB 4.49Å; F1043-F1046 AromaticContact CE2-CD1 3.93Å; F1043-F1046 HydrophobicContact CE2-CD1 3.93Å; F1043-F1046 HydrophobicContact CE2-CE1 4.41Å; F1043-F1046 HydrophobicContact CE2-CG 4.21Å; F1043-F1046 WeakPolarHBondContact O-CB 3.18Å; F1043-F1046 PolarHBondContact O-N 3.17Å; F1043-F1048 HydrophobicContact CE1-CZ 4.3Å; F1043-F1048 HydrophobicContact CE2-CE1 4.34Å; F1043-F1048 AromaticContact CE2-CZ 3.76Å; F1043-F1048 HydrophobicContact CE2-CZ 3.76Å; F1043-F1048 HydrophobicContact CZ-CE1 4.18Å; F1043-F1048 AromaticContact CZ-CZ 3.54Å; F1043-F1048 HydrophobicContact CZ-CZ 3.54Å
1044	E	83.5	Confident	85.1	Confident	145 Å²	145	75 Å²	75	68%	0.678	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.3	-17.7	171.3	-76.8	174.1	-178.3	0	0	114	E1040	E1040-E1044 WeakPolarHBondContact O-CG 3.22Å; E1040-E1044 PolarHBondContact O-N 2.73Å
1045	K	84.6	Confident	84.9	Confident	164 Å²	164	80.1 Å²	80.1	71%	0.713	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95	-5.3	-179.9	-59.1	-179.9	-176.4	178	0	113.4	E1042 F1043	E1042-K1045 PolarHBondContact O-N 3.13Å; F1043-K1045 PolarHBondContact O-N 3.25Å
1046	F	89.7	Confident	85	Confident	15 Å²	15	80.9 Å²	80.9	7%	0.066	38%	0.379	C	S	.	.			trans	-73.2	143.7	179.7	-81.3	-134.2	0	0	0	109	L1036 I1038 E1042 F1043 F1048 L1087 H1089	L1036-F1046 HydrophobicContact CD1-CE1 3.91Å; L1036-F1046 HydrophobicContact CD1-CZ 4.48Å; I1038-F1046 HydrophobicContact CD1-CE1 4.06Å; I1038-F1046 HydrophobicContact CD1-CE2 3.94Å; I1038-F1046 HydrophobicContact CD1-CZ 3.6Å; E1042-F1046 WeakPolarHBondContact O-CD2 3.33Å; F1043-F1046 HydrophobicContact CD2-CB 4.3Å; F1043-F1046 AromaticContact CD2-CD1 3.92Å; F1043-F1046 HydrophobicContact CD2-CD1 3.92Å; F1043-F1046 HydrophobicContact CD2-CD2 4.13Å; F1043-F1046 HydrophobicContact CD2-CE1 4.27Å; F1043-F1046 HydrophobicContact CD2-CE2 4.48Å; F1043-F1046 AromaticContact CD2-CG 3.85Å; F1043-F1046 HydrophobicContact CD2-CG 3.85Å; F1043-F1046 HydrophobicContact CE2-CB 4.49Å; F1043-F1046 AromaticContact CE2-CD1 3.93Å; F1043-F1046 HydrophobicContact CE2-CD1 3.93Å; F1043-F1046 HydrophobicContact CE2-CE1 4.41Å; F1043-F1046 HydrophobicContact CE2-CG 4.21Å; F1043-F1046 WeakPolarHBondContact O-CB 3.18Å; F1043-F1046 PolarHBondContact O-N 3.17Å; F1046-F1048 HydrophobicContact CB-CE2 3.95Å; F1046-F1048 HydrophobicContact CB-CZ 3.93Å; F1046-L1087 HydrophobicContact CD1-CB 4.26Å; F1046-L1087 HydrophobicContact CE1-CB 4.43Å; F1046-H1089 HydrophobicContact CD1-CB 4.34Å; F1046-H1089 AromaticContact CD1-CD2 3.79Å; F1046-H1089 HydrophobicContact CD2-CB 3.75Å; F1046-H1089 HydrophobicContact CE1-CB 4.26Å; F1046-H1089 AromaticContact CE1-CD2 3.2Å; F1046-H1089 WeakPolarHBondContact CE1-CD2 3.27Å; F1046-H1089 AromaticContact CE1-CG 3.74Å; F1046-H1089 AromaticContact CE1-NE2 3.59Å; F1046-H1089 HydrophobicContact CE2-CB 3.64Å; F1046-H1089 AromaticContact CE2-CD2 4Å; F1046-H1089 AromaticContact CE2-CG 3.64Å; F1046-H1089 HydrophobicContact CG-CB 4.1Å; F1046-H1089 HydrophobicContact CZ-CB 3.91Å; F1046-H1089 AromaticContact CZ-CD2 3.31Å; F1046-H1089 WeakPolarHBondContact CZ-CD2 3.47Å; F1046-H1089 AromaticContact CZ-CE1 3.8Å; F1046-H1089 AromaticContact CZ-CG 3.39Å; F1046-H1089 AromaticContact CZ-ND1 3.72Å; F1046-H1089 AromaticContact CZ-NE2 3.57Å
1047	K	90.6	Very high	85.3	Confident	119 Å²	119	86.5 Å²	86.5	52%	0.517	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	143.3	165.7	-54	175.7	-179.6	177.1	0	109	Y1058 D1088	K1047-Y1058 HydrophobicContact CB-CD1 3.87Å; K1047-Y1058 HydrophobicContact CB-CE1 3.72Å; K1047-Y1058 HydrophobicContact CD-CE1 4.08Å; K1047-D1088 HydrophobicContact CB-CB 4.14Å; K1047-D1088 PolarHBondContact N-O 2.97Å; K1047-D1088 VanDerWaalsContact N-O 3.07Å; K1047-D1088 PolarHBondContact O-N 2.86Å
1048	F	92.9	Very high	85.5	Confident	1 Å²	1	84.1 Å²	84.1	0%	0.004	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	133.6	-176.4	-57.2	-96.2	0	0	0	109.5	F1025 M1029 I1032 F1043 F1046 Y1058 I1059 E1061 L1085 G1086 L1087	F1025-F1048 HydrophobicContact CE1-CB 3.58Å; F1025-F1048 HydrophobicContact CE1-CD1 4.01Å; F1025-F1048 AromaticContact CE1-CD2 3.78Å; F1025-F1048 HydrophobicContact CE1-CD2 3.78Å; F1025-F1048 AromaticContact CE1-CG 3.5Å; F1025-F1048 HydrophobicContact CE1-CG 3.5Å; F1025-F1048 HydrophobicContact CZ-CB 3.45Å; F1025-F1048 VanDerWaalsContact CZ-CB 3.45Å; F1025-F1048 AromaticContact CZ-CD1 3.69Å; F1025-F1048 HydrophobicContact CZ-CD1 3.69Å; F1025-F1048 HydrophobicContact CZ-CD2 4.28Å; F1025-F1048 AromaticContact CZ-CG 3.53Å; F1025-F1048 HydrophobicContact CZ-CG 3.53Å; M1029-F1048 HydrophobicContact CE-CD2 4.4Å; M1029-F1048 HydrophobicContact CE-CE2 3.63Å; M1029-F1048 HydrophobicContact CE-CZ 4.16Å; M1029-F1048 HydrophobicContact CG-CD2 4.36Å; M1029-F1048 HydrophobicContact CG-CE1 4.27Å; M1029-F1048 HydrophobicContact CG-CE2 3.95Å; M1029-F1048 HydrophobicContact CG-CZ 3.9Å; M1029-F1048 HydrophobicContact SD-CD2 4.41Å; M1029-F1048 HydrophobicContact SD-CE2 4.11Å; I1032-F1048 HydrophobicContact CD1-CD1 4.26Å; I1032-F1048 HydrophobicContact CD1-CE1 3.88Å; F1043-F1048 HydrophobicContact CE1-CZ 4.3Å; F1043-F1048 HydrophobicContact CE2-CE1 4.34Å; F1043-F1048 AromaticContact CE2-CZ 3.76Å; F1043-F1048 HydrophobicContact CE2-CZ 3.76Å; F1043-F1048 HydrophobicContact CZ-CE1 4.18Å; F1043-F1048 AromaticContact CZ-CZ 3.54Å; F1043-F1048 HydrophobicContact CZ-CZ 3.54Å; F1046-F1048 HydrophobicContact CB-CE2 3.95Å; F1046-F1048 HydrophobicContact CB-CZ 3.93Å; F1048-Y1058 WeakPolarHBondContact O-CA 3.48Å; F1048-I1059 HydrophobicContact CB-CD1 4.42Å; F1048-I1059 PolarHBondContact O-N 3.2Å; F1048-E1061 HydrophobicContact CD2-CG 4.37Å; F1048-L1085 HydrophobicContact CB-CD1 4.4Å; F1048-G1086 WeakPolarHBondContact CA-O 3.45Å; F1048-L1087 HydrophobicContact CD1-CD2 3.41Å; F1048-L1087 VanDerWaalsContact CD1-CD2 3.41Å; F1048-L1087 HydrophobicContact CE1-CD2 3.48Å; F1048-L1087 VanDerWaalsContact CE1-CD2 3.48Å
1049	A	92.2	Very high	85.9	Confident	0 Å²	0	83 Å²	83	0%	0	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	141.5	179.4	0	0	0	0	0	111.8	F1003 V1051 H1056 Q1057 Y1058 G1086	F1003-A1049 HydrophobicContact CZ-CB 4.43Å; A1049-V1051 HydrophobicContact CB-CG2 4.47Å; A1049-H1056 HydrophobicContact CB-CB 4.13Å; A1049-Q1057 CarbonylContact C-O 3.46Å; A1049-Q1057 WeakPolarHBondContact CA-O 3.44Å; A1049-Q1057 WeakPolarHBondContact CB-O 3.49Å; A1049-Y1058 HydrophobicContact CB-CD1 3.84Å; A1049-Y1058 HydrophobicContact CB-CE1 4.16Å; A1049-Y1058 HydrophobicContact CB-CG 4.33Å; A1049-G1086 PolarHBondContact N-O 2.86Å; A1049-G1086 PolarHBondContact O-N 2.68Å
1050	I	92.1	Very high	85.9	Confident	24 Å²	24	80.4 Å²	80.4	12%	0.123	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	125	166.7	-53.1	-176	0	0	0	107.4	H1056 Q1057 I1059 D1070 F1071 P1083	I1050-H1056 CarbonylContact O-C 3.6Å; I1050-H1056 VanDerWaalsContact O-CA 3.31Å; I1050-H1056 WeakPolarHBondContact O-CA 3.29Å; I1050-Q1057 PolarHBondContact N-O 3.08Å; I1050-Q1057 PolarHBondContact O-N 2.93Å; I1050-I1059 HydrophobicContact CD1-CD1 4.21Å; I1050-I1059 HydrophobicContact CD1-CG1 4.38Å; I1050-I1059 HydrophobicContact CG1-CD1 3.65Å; I1050-I1059 HydrophobicContact CG1-CG1 3.86Å; I1050-D1070 HydrophobicContact CD1-CB 3.84Å; I1050-F1071 HydrophobicContact CB-CE1 4.44Å; I1050-F1071 HydrophobicContact CD1-CE1 4.15Å; I1050-F1071 HydrophobicContact CD1-CE2 3.91Å; I1050-F1071 HydrophobicContact CD1-CZ 3.6Å; I1050-F1071 HydrophobicContact CG1-CE1 3.9Å; I1050-F1071 HydrophobicContact CG1-CE2 4.47Å; I1050-F1071 HydrophobicContact CG1-CZ 3.67Å; I1050-F1071 HydrophobicContact CG2-CD1 4.31Å; I1050-F1071 HydrophobicContact CG2-CE1 4.01Å; I1050-P1083 HydrophobicContact CG2-CB 4.28Å
1051	V	88.4	Confident	85.7	Confident	0 Å²	0	77.2 Å²	77.2	0%	0	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	129.4	-174.6	-175.7	0	0	0	0	110.9	V1007 A1049 R1055 H1056 P1083 W1084	V1007-V1051 HydrophobicContact CG1-CB 4.43Å; V1007-V1051 HydrophobicContact CG1-CG1 3.25Å; V1007-V1051 HydrophobicContact CG1-CG2 4.37Å; A1049-V1051 HydrophobicContact CB-CG2 4.47Å; V1051-R1055 CarbonylContact C-O 3.54Å; V1051-R1055 WeakPolarHBondContact CA-O 3.1Å; V1051-R1055 WeakPolarHBondContact CG1-O 3.31Å; V1051-H1056 HydrophobicContact CG2-CB 3.84Å; V1051-P1083 CarbonylContact O-C 3.6Å; V1051-P1083 WeakPolarHBondContact O-CA 3.48Å; V1051-W1084 HydrophobicContact CB-CD2 3.84Å; V1051-W1084 VanDerWaalsContact CB-CE2 3.46Å; V1051-W1084 HydrophobicContact CB-CE3 4.42Å; V1051-W1084 HydrophobicContact CB-CG 4.19Å; V1051-W1084 HydrophobicContact CB-CH2 4.34Å; V1051-W1084 HydrophobicContact CB-CZ2 3.75Å; V1051-W1084 HydrophobicContact CG1-CD2 4.3Å; V1051-W1084 VanDerWaalsContact CG1-CE2 3.41Å; V1051-W1084 HydrophobicContact CG1-CH2 4.34Å; V1051-W1084 HydrophobicContact CG1-CZ2 3.45Å; V1051-W1084 VanDerWaalsContact CG1-CZ2 3.45Å; V1051-W1084 VanDerWaalsContact CG1-NE1 3.34Å; V1051-W1084 HydrophobicContact CG2-CD2 4.26Å; V1051-W1084 HydrophobicContact CG2-CE3 4.37Å; V1051-W1084 HydrophobicContact CG2-CH2 4.01Å; V1051-W1084 HydrophobicContact CG2-CZ2 3.91Å; V1051-W1084 HydrophobicContact CG2-CZ3 4.25Å; V1051-W1084 PolarHBondContact N-O 3.21Å; V1051-W1084 PolarHBondContact O-N 2.66Å
1052	M	85.1	Confident	85.4	Confident	68 Å²	68	76 Å²	76	34%	0.335	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	133.1	173.9	-160.1	-167.3	-62.1	0	0	110.5	G1054 R1055 P1083	M1052-G1054 VanDerWaalsContact C-N 3.25Å; M1052-G1054 PolarHBondContact O-N 2.97Å; M1052-G1054 VanDerWaalsContact O-N 3.13Å; M1052-R1055 PolarHBondContact N-O 3.49Å; M1052-R1055 PolarHBondContact O-N 3.21Å; M1052-R1055 VanDerWaalsContact O-O 3.1Å; M1052-P1083 HydrophobicContact CB-CB 4.17Å; M1052-P1083 HydrophobicContact CE-CB 3.82Å; M1052-P1083 HydrophobicContact CE-CG 3.64Å; M1052-P1083 HydrophobicContact CG-CB 4.21Å
1053	M	79.9	Confident	85.3	Confident	110 Å²	110	80.4 Å²	80.4	54%	0.542	38%	0.379	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.8	38.4	175.1	-64.3	-67	-153.6	0	0	114.8	R1055 H1080 P1081	M1053-R1055 PolarHBondContact O-N 3.29Å; M1053-H1080 HydrophobicContact CE-CB 4.17Å; M1053-H1080 VanDerWaalsContact CE-ND1 3.34Å; M1053-H1080 WeakPolarHBondContact CE-ND1 3.33Å; M1053-P1081 HydrophobicContact CE-CG 4.2Å; M1053-P1081 HydrophobicContact SD-CB 4.35Å; M1053-P1081 HydrophobicContact SD-CG 3.82Å
1054	G	76	Confident	85.3	Confident	28 Å²	28	81.8 Å²	81.8	29%	0.289	38%	0.384	S	S	.	.	T	Hydrogen-bonded Turn	trans	77.4	-0.7	-179.5	0	0	0	0	0	115.1	M1052	M1052-G1054 VanDerWaalsContact C-N 3.25Å; M1052-G1054 PolarHBondContact O-N 2.97Å; M1052-G1054 VanDerWaalsContact O-N 3.13Å
1055	R	81.8	Confident	85.6	Confident	209 Å²	209	81.2 Å²	81.2	79%	0.789	38%	0.381	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-100.1	142.8	171.2	-59.6	-178.8	-177.3	-178.9	0.1	109.3	V1051 M1052 M1053	V1051-R1055 CarbonylContact C-O 3.54Å; V1051-R1055 WeakPolarHBondContact CA-O 3.1Å; V1051-R1055 WeakPolarHBondContact CG1-O 3.31Å; M1052-R1055 PolarHBondContact N-O 3.49Å; M1052-R1055 PolarHBondContact O-N 3.21Å; M1052-R1055 VanDerWaalsContact O-O 3.1Å; M1053-R1055 PolarHBondContact O-N 3.29Å
1056	H	85.9	Confident	85.8	Confident	69 Å²	69	73.5 Å²	73.5	32%	0.319	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	149.1	176.9	68.2	-88.4	0	0	0	110.7	V1007 A1049 I1050 V1051 Y1058	V1007-H1056 HydrophobicContact CG2-CB 3.82Å; V1007-H1056 WeakPolarHBondContact CG2-ND1 3.49Å; A1049-H1056 HydrophobicContact CB-CB 4.13Å; I1050-H1056 CarbonylContact O-C 3.6Å; I1050-H1056 VanDerWaalsContact O-CA 3.31Å; I1050-H1056 WeakPolarHBondContact O-CA 3.29Å; V1051-H1056 HydrophobicContact CG2-CB 3.84Å; H1056-Y1058 AromaticContact CD2-CD2 3.77Å; H1056-Y1058 AromaticContact CD2-CE2 3.42Å; H1056-Y1058 VanDerWaalsContact CD2-CE2 3.42Å; H1056-Y1058 WeakPolarHBondContact CD2-CE2 3.39Å; H1056-Y1058 AromaticContact CD2-CZ 3.83Å; H1056-Y1058 AromaticContact NE2-CD2 3.89Å; H1056-Y1058 AromaticContact NE2-CE2 3.18Å; H1056-Y1058 WeakPolarHBondContact NE2-CE2 3.41Å; H1056-Y1058 AromaticContact NE2-CZ 3.72Å
1057	Q	88.9	Confident	85.8	Confident	154 Å²	154	75.1 Å²	75.1	72%	0.72	36%	0.358	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-126.7	117.9	171	-66.9	179.8	1.8	0	0	107.8	A1049 I1050	A1049-Q1057 CarbonylContact C-O 3.46Å; A1049-Q1057 WeakPolarHBondContact CA-O 3.44Å; A1049-Q1057 WeakPolarHBondContact CB-O 3.49Å; I1050-Q1057 PolarHBondContact N-O 3.08Å; I1050-Q1057 PolarHBondContact O-N 2.93Å
1058	Y	89.4	Confident	85.6	Confident	102 Å²	102	70.2 Å²	70.2	40%	0.4	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68	138.6	176.7	-71.8	-76.6	0	0	0	110.4	K1047 F1048 A1049 H1056 D1088	K1047-Y1058 HydrophobicContact CB-CD1 3.87Å; K1047-Y1058 HydrophobicContact CB-CE1 3.72Å; K1047-Y1058 HydrophobicContact CD-CE1 4.08Å; F1048-Y1058 WeakPolarHBondContact O-CA 3.48Å; A1049-Y1058 HydrophobicContact CB-CD1 3.84Å; A1049-Y1058 HydrophobicContact CB-CE1 4.16Å; A1049-Y1058 HydrophobicContact CB-CG 4.33Å; H1056-Y1058 AromaticContact CD2-CD2 3.77Å; H1056-Y1058 AromaticContact CD2-CE2 3.42Å; H1056-Y1058 VanDerWaalsContact CD2-CE2 3.42Å; H1056-Y1058 WeakPolarHBondContact CD2-CE2 3.39Å; H1056-Y1058 AromaticContact CD2-CZ 3.83Å; H1056-Y1058 AromaticContact NE2-CD2 3.89Å; H1056-Y1058 AromaticContact NE2-CE2 3.18Å; H1056-Y1058 WeakPolarHBondContact NE2-CE2 3.41Å; H1056-Y1058 AromaticContact NE2-CZ 3.72Å; Y1058-D1088 HydrophobicContact CE1-CB 4.27Å; Y1058-D1088 PolarHBondContact OH-OD2 3.37Å
1059	I	89.1	Confident	85.2	Confident	18 Å²	18	77.5 Å²	77.5	9%	0.092	37%	0.369	C	S	.	.			trans	-88	133.8	178.9	-58	176	0	0	0	108.5	F1025 F1048 I1050 E1061 Y1064 L1085	F1025-I1059 HydrophobicContact CD1-CG2 4.06Å; F1025-I1059 HydrophobicContact CD2-CD1 4.39Å; F1025-I1059 HydrophobicContact CD2-CG2 4.4Å; F1025-I1059 HydrophobicContact CE1-CG2 4.25Å; F1025-I1059 HydrophobicContact CE2-CD1 3.78Å; F1025-I1059 HydrophobicContact CG-CG2 4.14Å; F1025-I1059 HydrophobicContact CZ-CD1 3.88Å; F1048-I1059 HydrophobicContact CB-CD1 4.42Å; F1048-I1059 PolarHBondContact O-N 3.2Å; I1050-I1059 HydrophobicContact CD1-CD1 4.21Å; I1050-I1059 HydrophobicContact CD1-CG1 4.38Å; I1050-I1059 HydrophobicContact CG1-CD1 3.65Å; I1050-I1059 HydrophobicContact CG1-CG1 3.86Å; I1059-E1061 PolarHBondContact O-N 2.89Å; I1059-Y1064 HydrophobicContact CD1-CD1 4.4Å; I1059-Y1064 HydrophobicContact CD1-CE1 4.23Å; I1059-Y1064 HydrophobicContact CG2-CD1 3.36Å; I1059-Y1064 HydrophobicContact CG2-CD2 4.11Å; I1059-Y1064 HydrophobicContact CG2-CE1 4.16Å; I1059-Y1064 HydrophobicContact CG2-CG 3.34Å; I1059-L1085 HydrophobicContact CD1-CD1 3.79Å
1060	T	83.9	Confident	84.9	Confident	85 Å²	85	80.3 Å²	80.3	52%	0.521	38%	0.384	S	S	.	.			trans	-79.3	108.6	171.8	-48.3	0	0	0	0	109.4	D1062 E1063 Y1064	T1060-D1062 VanDerWaalsContact C-N 3.29Å; T1060-D1062 PolarHBondContact O-N 3.23Å; T1060-E1063 HydrophobicContact CG2-CB 4.19Å; T1060-E1063 HydrophobicContact CG2-CG 4.29Å; T1060-E1063 PolarHBondContact O-N 3.05Å; T1060-Y1064 WeakPolarHBondContact O-CB 3.35Å; T1060-Y1064 PolarHBondContact O-N 3.5Å
1061	E	77.4	Confident	84.6	Confident	70 Å²	70	79.4 Å²	79.4	33%	0.327	38%	0.379	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-31.3	-166.8	-63.8	175.1	-173.2	0	0	114.9	M1029 F1048 I1059	M1029-E1061 HydrophobicContact CE-CG 4.3Å; M1029-E1061 HydrophobicContact SD-CB 3.99Å; M1029-E1061 HydrophobicContact SD-CG 3.93Å; F1048-E1061 HydrophobicContact CD2-CG 4.37Å; I1059-E1061 PolarHBondContact O-N 2.89Å
1062	D	74.8	Confident	84.4	Confident	133 Å²	133	84 Å²	84	71%	0.711	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.1	-12.8	-177	-68.9	-45.6	0	0	0	114.2	R1026 T1060	R1026-D1062 IonicContact NH2-OD1 3.44Å; R1026-D1062 PolarHBondContact NH2-OD1 3.46Å; T1060-D1062 VanDerWaalsContact C-N 3.29Å; T1060-D1062 PolarHBondContact O-N 3.23Å
1063	E	77.8	Confident	83.8	Confident	162 Å²	162	82 Å²	82	76%	0.757	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	-119.3	-18.5	-172.7	-65.6	-175.1	170.4	0	0	114	T1060 E1065	T1060-E1063 HydrophobicContact CG2-CB 4.19Å; T1060-E1063 HydrophobicContact CG2-CG 4.29Å; T1060-E1063 PolarHBondContact O-N 3.05Å; E1063-E1065 PolarHBondContact O-N 3.21Å
1064	Y	87.8	Confident	83.4	Confident	42 Å²	42	83.9 Å²	83.9	17%	0.165	40%	0.4	C	S	.	.	P	Polyproline II helix	trans	-80.4	122.5	-175.7	-175.9	-107.7	0	0	0	112.4	F1025 I1059 T1060 V1066 D1070	F1025-Y1064 HydrophobicContact CB-CD1 3.95Å; F1025-Y1064 WeakPolarHBondContact CB-O 3.16Å; F1025-Y1064 AromaticContact CD2-CD1 3.83Å; F1025-Y1064 HydrophobicContact CD2-CD1 3.83Å; F1025-Y1064 HydrophobicContact CD2-CE1 4.2Å; F1025-Y1064 HydrophobicContact CG-CD1 4.01Å; F1025-Y1064 PolarHBondContact N-O 2.99Å; F1025-Y1064 VanDerWaalsContact N-O 3.11Å; I1059-Y1064 HydrophobicContact CD1-CD1 4.4Å; I1059-Y1064 HydrophobicContact CD1-CE1 4.23Å; I1059-Y1064 HydrophobicContact CG2-CD1 3.36Å; I1059-Y1064 HydrophobicContact CG2-CD2 4.11Å; I1059-Y1064 HydrophobicContact CG2-CE1 4.16Å; I1059-Y1064 HydrophobicContact CG2-CG 3.34Å; T1060-Y1064 WeakPolarHBondContact O-CB 3.35Å; T1060-Y1064 PolarHBondContact O-N 3.5Å; Y1064-V1066 HydrophobicContact CE1-CG2 4.28Å; Y1064-D1070 PolarHBondContact OH-OD2 3.42Å; Y1064-D1070 VanDerWaalsContact OH-OD2 3.07Å
1065	E	88.6	Confident	82.4	Confident	132 Å²	132	89.2 Å²	89.2	62%	0.617	43%	0.429	S	S	*	.	B	Isolated β-bridge	trans	-98.9	134.1	163.7	-68.5	-174.6	170.8	0	0	109	E1063 N1067	E1063-E1065 PolarHBondContact O-N 3.21Å; E1065-N1067 PolarHBondContact O-N 3.25Å
1066	V	89.5	Confident	81.3	Confident	3 Å²	3	82.8 Å²	82.8	2%	0.018	43%	0.428	C	S	.	.	P	Polyproline II helix	trans	-61.1	122.3	-176.3	171.9	0	0	0	0	110.8	I1019 R1020 G1022 E1023 V1028 Y1064 L1068	I1019-V1066 HydrophobicContact CB-CG1 4.09Å; I1019-V1066 HydrophobicContact CD1-CG1 3.84Å; I1019-V1066 HydrophobicContact CG1-CG1 4.39Å; R1020-V1066 WeakPolarHBondContact O-CB 3.31Å; R1020-V1066 WeakPolarHBondContact O-CG1 3.44Å; G1022-V1066 PolarHBondContact N-O 3.4Å; E1023-V1066 HydrophobicContact CG-CB 3.89Å; E1023-V1066 HydrophobicContact CG-CG2 3.58Å; E1023-V1066 WeakPolarHBondContact O-CG2 3.36Å; E1023-V1066 PolarHBondContact O-N 2.83Å; V1028-V1066 HydrophobicContact CG2-CG2 3.69Å; Y1064-V1066 HydrophobicContact CE1-CG2 4.28Å; V1066-L1068 HydrophobicContact CG1-CD2 4.36Å
1067	N	88.8	Confident	79.8	Confident	49 Å²	49	83.7 Å²	83.7	26%	0.262	44%	0.436	S	S	.	.			trans	-113.2	117.1	169.3	-179.9	22.5	0	0	0	109.6	Q1021 E1065 K1069 D1070	Q1021-N1067 PolarHBondContact NE2-OD1 3.18Å; E1065-N1067 PolarHBondContact O-N 3.25Å; N1067-K1069 PolarHBondContact O-N 3.26Å; N1067-K1069 PolarHBondContact OD1-N 2.95Å; N1067-D1070 PolarHBondContact ND2-OD1 3.49Å; N1067-D1070 WeakPolarHBondContact O-CB 3.46Å; N1067-D1070 PolarHBondContact O-N 3.48Å
1068	L	87.8	Confident	78.1	Confident	16 Å²	16	83.7 Å²	83.7	8%	0.084	44%	0.437	C	S	.	.	G	3₁₀ helix	trans	-60.3	-31.2	-177.2	-65.7	-175.1	0	0	0	112.1	M996 I1019 Q1021 V1066 D1070 F1071 E1072	M996-L1068 HydrophobicContact CB-CD1 4.38Å; M996-L1068 HydrophobicContact CB-CD2 3.61Å; I1019-L1068 HydrophobicContact CD1-CD2 3.68Å; I1019-L1068 HydrophobicContact CG1-CD2 3.82Å; Q1021-L1068 HydrophobicContact CB-CD1 4.04Å; Q1021-L1068 HydrophobicContact CB-CG 4.02Å; Q1021-L1068 VanDerWaalsContact OE1-CB 3.23Å; V1066-L1068 HydrophobicContact CG1-CD2 4.36Å; L1068-D1070 PolarHBondContact O-N 3.11Å; L1068-F1071 CarbonylContact O-C 3.56Å; L1068-F1071 PolarHBondContact O-N 2.97Å; L1068-E1072 PolarHBondContact O-N 3.48Å
1069	K	85.1	Confident	76.5	Confident	154 Å²	154	84.5 Å²	84.5	67%	0.67	46%	0.458	S	S	*	.	G	3₁₀ helix	trans	-61	-24.5	176.3	-69	-172.9	175.9	-179.6	0	113.7	N1067 F1071 E1072	N1067-K1069 PolarHBondContact O-N 3.26Å; N1067-K1069 PolarHBondContact OD1-N 2.95Å; K1069-F1071 PolarHBondContact O-N 3.22Å; K1069-E1072 PolarHBondContact O-N 2.83Å
1070	D	85.8	Confident	75.4	Confident	59 Å²	59	87.6 Å²	87.6	32%	0.316	47%	0.472	S	S	.	.	G	3₁₀ helix	trans	-72.8	-18.5	178.3	-59.1	-7.3	0	0	0	111.1	I1050 Y1064 N1067 L1068	I1050-D1070 HydrophobicContact CD1-CB 3.84Å; Y1064-D1070 PolarHBondContact OH-OD2 3.42Å; Y1064-D1070 VanDerWaalsContact OH-OD2 3.07Å; N1067-D1070 PolarHBondContact ND2-OD1 3.49Å; N1067-D1070 WeakPolarHBondContact O-CB 3.46Å; N1067-D1070 PolarHBondContact O-N 3.48Å; L1068-D1070 PolarHBondContact O-N 3.11Å
1071	F	85.8	Confident	74.6	Confident	4 Å²	4	87.3 Å²	87.3	2%	0.018	47%	0.472	C	S	.	.	G	3₁₀ helix	trans	-108.7	5.3	177	-61	-84.3	0	0	0	113.4	M996 I998 I1019 I1050 L1068 K1069 P1083 L1085	M996-F1071 HydrophobicContact CE-CB 4.29Å; M996-F1071 WeakPolarHBondContact CE-O 3.41Å; M996-F1071 HydrophobicContact SD-CB 4.02Å; I998-F1071 HydrophobicContact CB-CD1 4.44Å; I998-F1071 HydrophobicContact CD1-CD1 4.03Å; I998-F1071 HydrophobicContact CD1-CE1 3.82Å; I998-F1071 HydrophobicContact CD1-CZ 4.17Å; I998-F1071 HydrophobicContact CG2-CB 3.72Å; I998-F1071 HydrophobicContact CG2-CD1 3.99Å; I998-F1071 HydrophobicContact CG2-CG 3.88Å; I1019-F1071 HydrophobicContact CD1-CB 4.49Å; I1019-F1071 HydrophobicContact CD1-CD2 3.54Å; I1019-F1071 HydrophobicContact CD1-CE2 3.89Å; I1019-F1071 HydrophobicContact CD1-CG 4.05Å; I1050-F1071 HydrophobicContact CB-CE1 4.44Å; I1050-F1071 HydrophobicContact CD1-CE1 4.15Å; I1050-F1071 HydrophobicContact CD1-CE2 3.91Å; I1050-F1071 HydrophobicContact CD1-CZ 3.6Å; I1050-F1071 HydrophobicContact CG1-CE1 3.9Å; I1050-F1071 HydrophobicContact CG1-CE2 4.47Å; I1050-F1071 HydrophobicContact CG1-CZ 3.67Å; I1050-F1071 HydrophobicContact CG2-CD1 4.31Å; I1050-F1071 HydrophobicContact CG2-CE1 4.01Å; L1068-F1071 CarbonylContact O-C 3.56Å; L1068-F1071 PolarHBondContact O-N 2.97Å; K1069-F1071 PolarHBondContact O-N 3.22Å; F1071-P1083 VanDerWaalsContact O-CG 3.29Å; F1071-P1083 WeakPolarHBondContact O-CG 3.46Å; F1071-L1085 HydrophobicContact CE1-CB 4.25Å
1072	E	83	Confident	74.8	Confident	97 Å²	97	90.4 Å²	90.4	45%	0.453	48%	0.48	S	S	.	.	S	Bend	trans	-91.4	141.4	171.4	-72.2	179.3	165.5	0	0	110.9	M996 L1068 K1069	M996-E1072 HydrophobicContact CE-CG 4.48Å; L1068-E1072 PolarHBondContact O-N 3.48Å; K1069-E1072 PolarHBondContact O-N 2.83Å
1073	P	73.1	Confident	75.5	Confident	27 Å²	27	84.1 Å²	84.1	18%	0.175	45%	0.447	C	S	.	.	P	Polyproline II helix	trans	-67.8	160.4	169.5	30.2	-33.6	0	0	0	110.8
1074	Q	71.2	Confident	76.1	Confident	149 Å²	149	77.7 Å²	77.7	70%	0.696	42%	0.416	S	S	*	.	P	Polyproline II helix	trans	-52.1	137.9	178	-76.7	-178.3	-1.8	0	0	112.1	G1076 N1077	Q1074-G1076 PolarHBondContact O-N 2.71Å; Q1074-G1076 VanDerWaalsContact O-N 3.13Å; Q1074-N1077 PolarHBondContact O-N 3.26Å
1075	P	55.7	Low	76.4	Confident	139 Å²	139	75.8 Å²	75.8	90%	0.903	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.9	117.6	-173.8	20.7	-30.7	0	0	0	111.4
1076	G	57.3	Low	76.6	Confident	75 Å²	75	69.5 Å²	69.5	77%	0.773	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	121.9	-19.8	177.3	0	0	0	0	0	115.7	Q1074	Q1074-G1076 PolarHBondContact O-N 2.71Å; Q1074-G1076 VanDerWaalsContact O-N 3.13Å
1077	N	55.6	Low	76.9	Confident	88 Å²	88	69.3 Å²	69.3	47%	0.471	38%	0.378	S	S	.	.			trans	-122	86.3	-173.8	-80.7	1.2	0	0	0	113	Q1074 S1079 H1080	Q1074-N1077 PolarHBondContact O-N 3.26Å; N1077-S1079 PolarHBondContact O-N 3.37Å; N1077-H1080 VanDerWaalsContact CB-CD2 3.44Å; N1077-H1080 WeakPolarHBondContact CB-CD2 3.32Å; N1077-H1080 PolarHBondContact ND2-CD2 3Å; N1077-H1080 PolarHBondContact ND2-NE2 2.91Å; N1077-H1080 VanDerWaalsContact ND2-NE2 3.1Å; N1077-H1080 PolarHBondContact O-N 2.99Å
1078	M	53.2	Low	77	Confident	153 Å²	153	67.8 Å²	67.8	75%	0.754	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.9	-8.2	174.5	-73.6	-74.4	-87.4	0	0	114.3
1079	S	55.8	Low	77.1	Confident	120 Å²	120	68.6 Å²	68.6	84%	0.839	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.3	-3.5	-178.4	-174.1	0	0	0	0	114.4	N1077	N1077-S1079 PolarHBondContact O-N 3.37Å
1080	H	65.4	Low	76.9	Confident	83 Å²	83	67.9 Å²	67.9	38%	0.384	37%	0.37	S	S	.	.	S	Bend	trans	-80.6	149.4	174.7	-83.9	-50.9	0	0	0	111.6	M1053 N1077 R1082	M1053-H1080 HydrophobicContact CE-CB 4.17Å; M1053-H1080 VanDerWaalsContact CE-ND1 3.34Å; M1053-H1080 WeakPolarHBondContact CE-ND1 3.33Å; N1077-H1080 VanDerWaalsContact CB-CD2 3.44Å; N1077-H1080 WeakPolarHBondContact CB-CD2 3.32Å; N1077-H1080 PolarHBondContact ND2-CD2 3Å; N1077-H1080 PolarHBondContact ND2-NE2 2.91Å; N1077-H1080 VanDerWaalsContact ND2-NE2 3.1Å; N1077-H1080 PolarHBondContact O-N 2.99Å; H1080-R1082 PolarHBondContact O-N 3.41Å; H1080-R1082 VanDerWaalsContact O-N 3.12Å
1081	P	67.8	Low	76.6	Confident	79 Å²	79	69.1 Å²	69.1	51%	0.513	38%	0.376	S	S	.	.	P	Polyproline II helix	trans	-52.1	119.3	174.1	-25.4	33.6	0	0	0	110.9	M1053	M1053-P1081 HydrophobicContact CE-CG 4.2Å; M1053-P1081 HydrophobicContact SD-CB 4.35Å; M1053-P1081 HydrophobicContact SD-CG 3.82Å
1082	R	81.6	Confident	75.9	Confident	135 Å²	135	75.3 Å²	75.3	51%	0.509	40%	0.403	S	S	.	.	P	Polyproline II helix	trans	-64.6	141.9	177	-66.6	-174.8	179.8	-164.5	-0.7	109.7	H1080	H1080-R1082 PolarHBondContact O-N 3.41Å; H1080-R1082 VanDerWaalsContact O-N 3.12Å
1083	P	88.3	Confident	74.9	Confident	1 Å²	1	73.5 Å²	73.5	1%	0.006	41%	0.405	C	S	.	.	P	Polyproline II helix	trans	-57.5	149.2	167.4	20.6	-30.6	0	0	0	111.9	I1050 V1051 M1052 F1071	I1050-P1083 HydrophobicContact CG2-CB 4.28Å; V1051-P1083 CarbonylContact O-C 3.6Å; V1051-P1083 WeakPolarHBondContact O-CA 3.48Å; M1052-P1083 HydrophobicContact CB-CB 4.17Å; M1052-P1083 HydrophobicContact CE-CB 3.82Å; M1052-P1083 HydrophobicContact CE-CG 3.64Å; M1052-P1083 HydrophobicContact CG-CB 4.21Å; F1071-P1083 VanDerWaalsContact O-CG 3.29Å; F1071-P1083 WeakPolarHBondContact O-CG 3.46Å
1084	W	91.5	Very high	73.7	Confident	27 Å²	27	78 Å²	78	10%	0.102	43%	0.434	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	155.5	-177.6	58.9	-83	0	0	0	110.2	K956 P999 A1001 F1003 V1007 T1010 V1051 G1086	K956-W1084 HydrophobicContact CD-CZ2 4.09Å; P999-W1084 HydrophobicContact CB-CB 4.25Å; P999-W1084 HydrophobicContact CG-CB 3.71Å; P999-W1084 WeakPolarHBondContact O-CA 3.28Å; P999-W1084 WeakPolarHBondContact O-CB 3.42Å; A1001-W1084 HydrophobicContact CB-CE3 3.85Å; A1001-W1084 HydrophobicContact CB-CZ3 3.69Å; F1003-W1084 HydrophobicContact CD1-CH2 4.31Å; F1003-W1084 HydrophobicContact CD1-CZ3 4.42Å; V1007-W1084 HydrophobicContact CG1-CH2 4.29Å; V1007-W1084 HydrophobicContact CG1-CZ2 3.73Å; T1010-W1084 HydrophobicContact CG2-CH2 3.87Å; T1010-W1084 HydrophobicContact CG2-CZ3 4.43Å; V1051-W1084 HydrophobicContact CB-CD2 3.84Å; V1051-W1084 VanDerWaalsContact CB-CE2 3.46Å; V1051-W1084 HydrophobicContact CB-CE3 4.42Å; V1051-W1084 HydrophobicContact CB-CG 4.19Å; V1051-W1084 HydrophobicContact CB-CH2 4.34Å; V1051-W1084 HydrophobicContact CB-CZ2 3.75Å; V1051-W1084 HydrophobicContact CG1-CD2 4.3Å; V1051-W1084 VanDerWaalsContact CG1-CE2 3.41Å; V1051-W1084 HydrophobicContact CG1-CH2 4.34Å; V1051-W1084 HydrophobicContact CG1-CZ2 3.45Å; V1051-W1084 VanDerWaalsContact CG1-CZ2 3.45Å; V1051-W1084 VanDerWaalsContact CG1-NE1 3.34Å; V1051-W1084 HydrophobicContact CG2-CD2 4.26Å; V1051-W1084 HydrophobicContact CG2-CE3 4.37Å; V1051-W1084 HydrophobicContact CG2-CH2 4.01Å; V1051-W1084 HydrophobicContact CG2-CZ2 3.91Å; V1051-W1084 HydrophobicContact CG2-CZ3 4.25Å; V1051-W1084 PolarHBondContact N-O 3.21Å; V1051-W1084 PolarHBondContact O-N 2.66Å; W1084-G1086 VanDerWaalsContact CZ3-CA 3.45Å
1085	L	94.2	Very high	72.6	Confident	1 Å²	1	80.5 Å²	80.5	1%	0.005	44%	0.443	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	116.6	177	-179.3	68.1	0	0	0	109.6	I998 P999 V1000 A1001 L1017 F1025 I1032 F1048 I1059 F1071 L1087	I998-L1085 HydrophobicContact CD1-CB 3.84Å; I998-L1085 HydrophobicContact CD1-CD2 4.2Å; P999-L1085 PolarHBondContact O-N 3.33Å; V1000-L1085 VanDerWaalsContact CA-O 3.29Å; V1000-L1085 WeakPolarHBondContact CA-O 3.49Å; V1000-L1085 HydrophobicContact CG2-CB 4.23Å; V1000-L1085 HydrophobicContact CG2-CD2 4.3Å; A1001-L1085 PolarHBondContact N-O 2.95Å; A1001-L1085 VanDerWaalsContact N-O 3.11Å; L1017-L1085 HydrophobicContact CD2-CD2 4.32Å; F1025-L1085 HydrophobicContact CE2-CD1 4.43Å; F1025-L1085 HydrophobicContact CZ-CD1 4.38Å; I1032-L1085 HydrophobicContact CD1-CD2 3.84Å; F1048-L1085 HydrophobicContact CB-CD1 4.4Å; I1059-L1085 HydrophobicContact CD1-CD1 3.79Å; F1071-L1085 HydrophobicContact CE1-CB 4.25Å; L1085-L1087 HydrophobicContact CG-CD2 4.47Å
1086	G	93.2	Very high	71.8	Confident	0 Å²	0	85.3 Å²	85.3	0%	0	44%	0.443	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	129.7	176.8	0	0	0	0	0	112.2	A1001 F1048 A1049 W1084	A1001-G1086 WeakPolarHBondContact O-CA 3.11Å; F1048-G1086 WeakPolarHBondContact CA-O 3.45Å; A1049-G1086 PolarHBondContact N-O 2.86Å; A1049-G1086 PolarHBondContact O-N 2.68Å; W1084-G1086 VanDerWaalsContact CZ3-CA 3.45Å
1087	L	93.9	Very high	71.2	Confident	0 Å²	0	85 Å²	85	0%	0	44%	0.439	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	102.2	171.2	-51.1	-175.8	0	0	0	108.6	V1000 A1001 H1002 F1003 F1015 I1032 L1036 F1046 F1048 L1085 H1089	V1000-L1087 HydrophobicContact CG1-CD1 3.6Å; V1000-L1087 HydrophobicContact CG1-CD2 3.95Å; V1000-L1087 HydrophobicContact CG1-CG 3.57Å; A1001-L1087 PolarHBondContact O-N 2.92Å; H1002-L1087 WeakPolarHBondContact CA-O 3.39Å; F1003-L1087 PolarHBondContact N-O 2.82Å; F1003-L1087 VanDerWaalsContact O-O 3.12Å; F1015-L1087 HydrophobicContact CE1-CD1 4.08Å; F1015-L1087 HydrophobicContact CZ-CD1 4.01Å; I1032-L1087 HydrophobicContact CD1-CD2 4.18Å; I1032-L1087 HydrophobicContact CG2-CD1 3.91Å; I1032-L1087 HydrophobicContact CG2-CD2 4.45Å; L1036-L1087 HydrophobicContact CD1-CD1 4.05Å; F1046-L1087 HydrophobicContact CD1-CB 4.26Å; F1046-L1087 HydrophobicContact CE1-CB 4.43Å; F1048-L1087 HydrophobicContact CD1-CD2 3.41Å; F1048-L1087 VanDerWaalsContact CD1-CD2 3.41Å; F1048-L1087 HydrophobicContact CE1-CD2 3.48Å; F1048-L1087 VanDerWaalsContact CE1-CD2 3.48Å; L1085-L1087 HydrophobicContact CG-CD2 4.47Å; L1087-H1089 PolarHBondContact O-N 3.34Å
1088	D	91.7	Very high	70.3	Confident	17 Å²	17	91.3 Å²	91.3	9%	0.091	46%	0.457	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	109.2	179.1	-169	-1.9	0	0	0	110	F1003 H1004 K1005 K1047 Y1058	F1003-D1088 HydrophobicContact CD1-CB 4.35Å; F1003-D1088 HydrophobicContact CE1-CB 3.74Å; F1003-D1088 HydrophobicContact CE2-CB 3.99Å; F1003-D1088 HydrophobicContact CZ-CB 3.55Å; F1003-D1088 VanDerWaalsContact O-CA 3.31Å; F1003-D1088 WeakPolarHBondContact O-CA 3.45Å; H1004-D1088 IonicContact ND1-OD1 3.21Å; K1005-D1088 PolarHBondContact N-OD1 3.18Å; K1047-D1088 HydrophobicContact CB-CB 4.14Å; K1047-D1088 PolarHBondContact N-O 2.97Å; K1047-D1088 VanDerWaalsContact N-O 3.07Å; K1047-D1088 PolarHBondContact O-N 2.86Å; Y1058-D1088 HydrophobicContact CE1-CB 4.27Å; Y1058-D1088 PolarHBondContact OH-OD2 3.37Å
1089	H	89.3	Confident	69.5	Low	33 Å²	33	95 Å²	95	15%	0.153	46%	0.464	C	S	.	.			trans	-156.7	171.2	173.9	68.8	92.2	0	0	0	111.8	H1002 F1003 H1004 F1011 F1046 L1087	H1002-H1089 AromaticContact CE1-NE2 3.78Å; H1002-H1089 AromaticContact CG-NE2 3.53Å; H1002-H1089 AromaticContact ND1-CD2 3.7Å; H1002-H1089 AromaticContact ND1-CE1 3.85Å; H1002-H1089 AromaticContact ND1-NE2 2.81Å; H1002-H1089 PolarHBondContact ND1-NE2 2.99Å; F1003-H1089 PolarHBondContact O-N 2.96Å; F1003-H1089 VanDerWaalsContact O-N 3.15Å; H1004-H1089 WeakPolarHBondContact CB-O 3.47Å; H1004-H1089 PolarHBondContact ND1-O 2.97Å; F1011-H1089 AromaticContact CE2-CE1 3.64Å; F1011-H1089 AromaticContact CZ-CE1 3.68Å; F1011-H1089 AromaticContact CZ-ND1 3.89Å; F1011-H1089 VanDerWaalsContact CZ-O 3.28Å; F1011-H1089 WeakPolarHBondContact CZ-O 3.44Å; F1046-H1089 HydrophobicContact CD1-CB 4.34Å; F1046-H1089 AromaticContact CD1-CD2 3.79Å; F1046-H1089 HydrophobicContact CD2-CB 3.75Å; F1046-H1089 HydrophobicContact CE1-CB 4.26Å; F1046-H1089 AromaticContact CE1-CD2 3.2Å; F1046-H1089 WeakPolarHBondContact CE1-CD2 3.27Å; F1046-H1089 AromaticContact CE1-CG 3.74Å; F1046-H1089 AromaticContact CE1-NE2 3.59Å; F1046-H1089 HydrophobicContact CE2-CB 3.64Å; F1046-H1089 AromaticContact CE2-CD2 4Å; F1046-H1089 AromaticContact CE2-CG 3.64Å; F1046-H1089 HydrophobicContact CG-CB 4.1Å; F1046-H1089 HydrophobicContact CZ-CB 3.91Å; F1046-H1089 AromaticContact CZ-CD2 3.31Å; F1046-H1089 WeakPolarHBondContact CZ-CD2 3.47Å; F1046-H1089 AromaticContact CZ-CE1 3.8Å; F1046-H1089 AromaticContact CZ-CG 3.39Å; F1046-H1089 AromaticContact CZ-ND1 3.72Å; F1046-H1089 AromaticContact CZ-NE2 3.57Å; L1087-H1089 PolarHBondContact O-N 3.34Å
1090	F	82.3	Confident	68.6	Low	139 Å²	139	92.3 Å²	92.3	61%	0.61	44%	0.443	S	S	*	.			trans	-70.3	133.8	176.2	-77.5	-83	0	0	0	111.9	H1004 K1092	H1004-F1090 AromaticContact CE1-CD1 3.48Å; H1004-F1090 VanDerWaalsContact CE1-CD1 3.48Å; H1004-F1090 WeakPolarHBondContact CE1-CD1 3.18Å; H1004-F1090 AromaticContact CE1-CE1 3.37Å; H1004-F1090 WeakPolarHBondContact CE1-CE1 3.45Å; H1004-F1090 AromaticContact CE1-CG 3.91Å; H1004-F1090 AromaticContact CE1-CZ 3.69Å; H1004-F1090 AromaticContact NE2-CD1 3.6Å; H1004-F1090 AromaticContact NE2-CE1 3.37Å; H1004-F1090 WeakPolarHBondContact NE2-CE1 3.4Å; F1090-K1092 PolarHBondContact O-N 3.1Å
1091	N	79	Confident	67.4	Low	84 Å²	84	98.8 Å²	98.8	45%	0.449	47%	0.465	S	S	.	.			trans	-72.9	118.9	171	-172.4	-0.7	0	0	0	110.8	F1011 A1093	F1011-N1091 HydrophobicContact CD1-CB 3.98Å; F1011-N1091 HydrophobicContact CD2-CB 3.47Å; F1011-N1091 VanDerWaalsContact CD2-CB 3.47Å; F1011-N1091 WeakPolarHBondContact CD2-OD1 3.36Å; F1011-N1091 HydrophobicContact CE1-CB 3.93Å; F1011-N1091 VanDerWaalsContact CE2-CA 3.42Å; F1011-N1091 HydrophobicContact CE2-CB 3.44Å; F1011-N1091 VanDerWaalsContact CE2-CB 3.44Å; F1011-N1091 HydrophobicContact CG-CB 3.77Å; F1011-N1091 HydrophobicContact CZ-CB 3.68Å; N1091-A1093 WeakPolarHBondContact OD1-CB 3.44Å; N1091-A1093 PolarHBondContact OD1-N 3.09Å
1092	K	70	Confident	66.3	Low	134 Å²	134	101.7 Å²	101.7	58%	0.583	48%	0.475	S	S	*	.			trans	-96.1	-0.3	178	-63.8	-177.3	-174.8	173.7	0	113.8	E1042 F1090	E1042-K1092 IonicContact OE1-NZ 3.04Å; E1042-K1092 PolarHBondContact OE1-NZ 3.13Å; E1042-K1092 IonicContact OE2-NZ 3.96Å; E1042-K1092 PolarHBondContact OE2-NZ 2.88Å; F1090-K1092 PolarHBondContact O-N 3.1Å
1093	A	62.3	Low	64.9	Low	59 Å²	59	102.9 Å²	102.9	49%	0.488	49%	0.487	S	S	.	.	S	Bend	trans	-58.4	132.6	178.8	0	0	0	0	0	109.9	N1091 K1095	N1091-A1093 WeakPolarHBondContact OD1-CB 3.44Å; N1091-A1093 PolarHBondContact OD1-N 3.09Å; A1093-K1095 PolarHBondContact O-N 3.23Å
1094	P	47.7	Very low	62.4	Low	121 Å²	121	112.4 Å²	112.4	79%	0.786	53%	0.528	S	S	*	.			trans	-59.7	117.5	173.4	23.8	-30.2	0	0	0	107.3	R1096	P1094-R1096 PolarHBondContact O-N 3.02Å
1095	K	48	Very low	60.2	Low	203 Å²	203	115 Å²	115	88%	0.883	56%	0.555	S	S	*	*			trans	-50.9	111.8	167.7	-73.6	-176.7	177.6	-178.6	0	106	A1093 G1097	A1093-K1095 PolarHBondContact O-N 3.23Å; K1095-G1097 PolarHBondContact O-N 3.09Å
1096	R	39.6	Very low	57.7	Low	239 Å²	239	122.4 Å²	122.4	90%	0.902	59%	0.593	S	S	*	*			trans	-50.3	117.6	167.3	-96.7	-174.6	179.5	173.1	2.1	105.3	P1094 R1098	P1094-R1096 PolarHBondContact O-N 3.02Å; R1096-R1098 VanDerWaalsContact C-N 3.28Å; R1096-R1098 PolarHBondContact O-N 3.33Å
1097	G	44.8	Very low	55	Low	68 Å²	68	130.6 Å²	130.6	70%	0.701	63%	0.629	S	S	*	*			trans	-61.2	99	169.9	0	0	0	0	0	106.8	K1095 Y1099	K1095-G1097 PolarHBondContact O-N 3.09Å; G1097-Y1099 PolarHBondContact O-N 3.24Å
1098	R	36.7	Very low	52.8	Low	221 Å²	221	137.4 Å²	137.4	83%	0.834	66%	0.664	S	S	*	*			trans	-64.4	98.4	154.8	-80.6	-171.2	-177.9	179.8	1	105	R1096 T1100	R1096-R1098 VanDerWaalsContact C-N 3.28Å; R1096-R1098 PolarHBondContact O-N 3.33Å; R1098-T1100 PolarHBondContact O-N 2.79Å
1099	Y	36.8	Very low	50.1	Low	232 Å²	232	144.7 Å²	144.7	91%	0.91	70%	0.697	S	S	*	*			trans	-68.1	81.5	145.6	-85.3	-82.3	0	0	0	106.4	G1097	G1097-Y1099 PolarHBondContact O-N 3.24Å
1100	T	36.2	Very low	48	Very low	63 Å²	63	154 Å²	154	39%	0.387	75%	0.748	S	S	.	*			trans	-84.4	121.3	146.6	-25.5	0	0	0	0	103.7	R1098 L1102 E1103	R1098-T1100 PolarHBondContact O-N 2.79Å; T1100-L1102 PolarHBondContact O-N 3.09Å; T1100-E1103 PolarHBondContact O-N 2.98Å
1101	Y	41.3	Very low	46.3	Very low	219 Å²	219	154.8 Å²	154.8	86%	0.859	76%	0.755	S	S	*	*	T	Hydrogen-bonded Turn	trans	-56.3	-7.4	178.3	151.1	-96.6	0	0	0	113.6
1102	L	43.2	Very low	44.6	Very low	139 Å²	139	158.5 Å²	158.5	73%	0.728	77%	0.771	S	S	*	*	T	Hydrogen-bonded Turn	trans	-109.2	2.2	-172	-70.5	162.9	0	0	0	115.9	T1100	T1100-L1102 PolarHBondContact O-N 3.09Å
1103	E	52.8	Low	43.2	Very low	160 Å²	160	159.8 Å²	159.8	75%	0.748	78%	0.781	S	S	*	*			trans	-136.7	92.3	-177.8	-71.2	-174.1	163.5	0	0	114.7	T1100	T1100-E1103 PolarHBondContact O-N 2.98Å
1104	K	35.9	Very low	42.1	Very low	202 Å²	202	165.8 Å²	165.8	88%	0.878	80%	0.799	S	S	*	*	S	Bend	trans	-143.8	148.9	139.5	-82.9	-165	-179.3	175.2	0	110.2	I1106	K1104-I1106 PolarHBondContact O-N 2.82Å
1105	A	45.6	Very low	41.7	Very low	81 Å²	81	168.6 Å²	168.6	67%	0.669	80%	0.799	S	S	*	*			trans	-52.1	131.9	-179.3	0	0	0	0	0	113.1	K1107	A1105-K1107 PolarHBondContact O-N 2.98Å
1106	I	40.9	Very low	41.3	Very low	156 Å²	156	166.3 Å²	166.3	80%	0.8	79%	0.794	S	S	*	*			trans	-60.7	117	168.2	-76	172.1	0	0	0	108.6	K1104 I1108	K1104-I1106 PolarHBondContact O-N 2.82Å; I1106-I1108 HydrophobicContact CG2-CG1 4.04Å
1107	K	36.3	Very low	41.4	Very low	173 Å²	173	161.1 Å²	161.1	75%	0.752	79%	0.786	S	S	*	*			trans	-114.5	121.4	159.1	-80.8	-174.2	176.7	-178.1	0	107.5	A1105 H1109	A1105-K1107 PolarHBondContact O-N 2.98Å; K1107-H1109 PolarHBondContact O-N 3.44Å
1108	I	47.9	Very low	41.2	Very low	143 Å²	143	168.2 Å²	168.2	73%	0.733	79%	0.793	S	S	*	*			trans	-83.9	112.2	172.5	-58.6	173.2	0	0	0	106.1	I1106	I1106-I1108 HydrophobicContact CG2-CG1 4.04Å
1109	H	36.6	Very low	41.6	Very low	169 Å²	169	163.8 Å²	163.8	78%	0.782	79%	0.789	S	S	*	*			trans	-90.8	117.2	160	-70.3	-71.4	0	0	0	106	K1107	K1107-H1109 PolarHBondContact O-N 3.44Å
1110	N	45.2	Very low	42	Very low	229 Å²	229	157.6 Å²	157.6	100%	1.225	78%	0.778	S	S	*	*			trans	-30	0	-174.7	-66	-16.5	0	0	0	115.7

Retrieved 1,110 of 1,110 residues in 1894.4 ms (Link to these results)

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