A0A3Q0KJI3_SCHMA Loading...

Kelch-like ect2 interacting protein

AlphaFold DB , UniProt , Accession A0A3Q0KJI3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 825 aa.

						>A0A3Q0KJI3_SCHMA|A0A3Q0KJI3
MLPMDVDVHPNSRNSGSSVYHGQRPSTDIPDNINVSVGDSSNIRSSYVDSSTSVTSTIRSDICASDNRMLNSLHERVNFCESNNPVSRCCSFGDGLMNSVHNSYVASSANNTKSSVVQQSNDRLAYTAERHPISSFEAMNRFRKNKELCDVVLLVDGREIYTHRVVLAACSAYFRAMFTGELAESRQTEVTLYDLDGDAVETLIDFCYTSQITVEECNVQNLLPAACLLQLTEIQDVCCEFLKRQLDPSNCLGIRAFADTHACRGLLRVADRFTHLNFLEVVESEEFLLLPVSHLVDILSSDDLNINSEEQVYYSVMRWMHHNLSDRRPYLSYLLEHVRLPLLSPKFLVGTVSTDLLVRSDERCRDLVDEAKDYLLLPQERPLMQGPRTKPRKILQGGELLFAIGGWCSGDAIASAEHYDSRTHKWHLVAPMHKRRCGVGVGVVYDLLYAVGGHDGHSYLNSVERYDPHTNQWSSDIASTSTCRTSVGVAVLNGSMYAVGGQDGVSCLNFVECYDPNVNKWLKVSSMITRRLGVGVAVLNGQLYAVGGSDGQQPLSSVEHFDPRVGTWHQISCMGTKRKHLGVAVYNGLIYAVGGRDEVTELSSVECLDLRSRTWTPVVAMTSRRSGVGLAVVNNQLIAIGGFDGATYLKSVELYDPDANCWSVRGSMNSRRLGGGVGVVRLVNPHFNLNNTSFISNNSISNCSTTSRSVGHMNNNTIGTSCNNSIINDDSLGLSMTDSIFPPGLPISTTNQYFHNINNNNSSSSSNNSTGSNSISQSIIRNLPNSTFISSTSSTSGSTITATTSLTNSGQMNISSTRSNSTFLF
					

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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	25.3	Very low	33.2	Very low	177 Å²	177	139.1 Å²	139.1	87%	0.872	75%	0.752	S	S	*	*				0	137.4	0	-149.3	175.8	-165.7	0	0	108.6	G410	M1-G410 PolarHBondContact N-O 2.81Å
2	L	35.2	Very low	33.4	Very low	155 Å²	155	136.8 Å²	136.8	81%	0.812	75%	0.754	S	S	*	*			trans	-97.4	119.8	151	-73.4	167.1	0	0	0	103.7
3	P	36.9	Very low	33.5	Very low	86 Å²	86	143.8 Å²	143.8	56%	0.558	76%	0.762	S	S	*	*				-86.1	167.1	61.7	32.8	-38.9	0	0	0	113.9
4	M	31.2	Very low	33.8	Very low	153 Å²	153	143.9 Å²	143.9	75%	0.754	76%	0.764	S	S	*	*				-165.1	153.7	65.9	-84.6	177.1	-61.3	0	0	108.9
5	D	33	Very low	34.1	Very low	141 Å²	141	142.9 Å²	142.9	75%	0.754	77%	0.772	S	S	*	*			cis	-142.5	172.6	5.5	-90.2	-41	0	0	0	112
6	V	31.1	Very low	34.1	Very low	129 Å²	129	137.9 Å²	137.9	78%	0.782	77%	0.765	S	S	*	*			trans	-120.8	129.1	163.6	175.4	0	0	0	0	107.9	V8	V6-V8 HydrophobicContact CG1-CG2 4.35Å
7	D	32.5	Very low	34.3	Very low	161 Å²	161	137.5 Å²	137.5	86%	0.861	77%	0.774	S	S	*	*			trans	-150.9	155.1	163.3	-136.3	-25.2	0	0	0	112.9
8	V	33.8	Very low	34.4	Very low	96 Å²	96	136 Å²	136	58%	0.582	77%	0.774	S	S	*	*			trans	-145	131.9	-155.3	170.5	0	0	0	0	114.1	V6	V6-V8 HydrophobicContact CG1-CG2 4.35Å
9	H	33.3	Very low	34.3	Very low	176 Å²	176	134.8 Å²	134.8	82%	0.815	77%	0.77	S	S	*	*			trans	68.4	170.7	163.9	-71.4	-29.4	0	0	0	117.6
10	P	40	Very low	34.4	Very low	98 Å²	98	139.9 Å²	139.9	64%	0.636	78%	0.777	S	S	*	*				-140	169.9	-53.8	41.2	-26.3	0	0	0	115.5
11	N	33	Very low	34.5	Very low	158 Å²	158	141.7 Å²	141.7	85%	0.845	78%	0.779	S	S	*	*			trans	47.9	116.7	148.2	-67.6	-26.7	0	0	0	122
12	S	35.1	Very low	34.9	Very low	112 Å²	112	136.6 Å²	136.6	78%	0.783	77%	0.772	S	S	*	*				-175.4	124.2	112.9	57.5	0	0	0	0	117.2
13	R	35.7	Very low	34.9	Very low	227 Å²	227	138.5 Å²	138.5	86%	0.857	78%	0.777	S	S	*	*			trans	48.1	121.2	135.6	-67.8	-177.9	175.4	172.1	-0.7	123.7
14	N	36.7	Very low	34.5	Very low	146 Å²	146	145.5 Å²	145.5	78%	0.781	79%	0.792	S	S	*	*				96.7	145	124.7	-74.8	11	0	0	0	122.9
15	S	38.4	Very low	34.9	Very low	128 Å²	128	144.5 Å²	144.5	90%	0.895	80%	0.797	S	S	*	*			trans	70.1	137	171.8	69.8	0	0	0	0	117.8
16	G	35.2	Very low	34.9	Very low	64 Å²	64	142.5 Å²	142.5	66%	0.66	79%	0.794	S	S	*	*			cis	163.3	134.7	-14.2	0	0	0	0	0	115.2
17	S	36.9	Very low	35.2	Very low	131 Å²	131	143 Å²	143	92%	0.916	80%	0.798	S	S	*	*			trans	62.4	159.2	176.1	84.7	0	0	0	0	116.3
18	S	35.8	Very low	35.3	Very low	110 Å²	110	141.9 Å²	141.9	77%	0.769	79%	0.792	S	S	*	*			cis	-134.6	172.3	9.2	64.6	0	0	0	0	113.5
19	V	33.1	Very low	35.2	Very low	114 Å²	114	144.4 Å²	144.4	69%	0.691	80%	0.8	S	S	*	*			trans	-112.6	148.4	-174.9	172.4	0	0	0	0	110.5
20	Y	35.9	Very low	35.3	Very low	236 Å²	236	141.7 Å²	141.7	93%	0.925	80%	0.799	S	S	*	*			trans	-135.7	142.2	151.9	-111.8	-87.9	0	0	0	111.4
21	H	37.6	Very low	35	Very low	177 Å²	177	143.7 Å²	143.7	82%	0.819	80%	0.804	S	S	*	*			trans	-79.6	144.5	-178.9	-70.6	-64.3	0	0	0	111.7
22	G	33.6	Very low	35	Very low	70 Å²	70	143.5 Å²	143.5	72%	0.722	80%	0.803	S	S	*	*				115	156.9	92.4	0	0	0	0	0	109.1
23	Q	34.5	Very low	35	Very low	196 Å²	196	145.5 Å²	145.5	92%	0.916	80%	0.803	S	S	*	*			cis	-138.4	166.4	1.5	-60.6	169.8	-69.3	0	0	109.4
24	R	29.3	Very low	34.7	Very low	233 Å²	233	142.5 Å²	142.5	88%	0.879	80%	0.804	S	S	*	*			trans	-89.6	159.8	157.7	-75.6	-174.9	173.6	-175.6	-2.5	109.5
25	P	38.1	Very low	34.6	Very low	131 Å²	131	141.4 Å²	141.4	85%	0.851	80%	0.803	S	S	*	*				-133.9	173.7	101.5	38.2	-29.6	0	0	0	113.9
26	S	32.8	Very low	34.3	Very low	100 Å²	100	140.2 Å²	140.2	70%	0.699	79%	0.794	S	S	*	*			trans	-114.4	147.7	177.9	48.8	0	0	0	0	111.2
27	T	37.7	Very low	34	Very low	138 Å²	138	143.9 Å²	143.9	85%	0.847	80%	0.804	S	S	*	*			trans	-146.8	141.3	167.4	47.9	0	0	0	0	110
28	D	35.4	Very low	33.8	Very low	139 Å²	139	140.9 Å²	140.9	74%	0.743	79%	0.793	S	S	*	*			trans	-95	157.3	-171.8	-55.8	-85	0	0	0	114.3
29	I	31.5	Very low	33.5	Very low	148 Å²	148	143.4 Å²	143.4	76%	0.759	80%	0.798	S	S	*	*			trans	33.2	121.9	131	-57.3	172.8	0	0	0	116.3
30	P	36.3	Very low	33.5	Very low	120 Å²	120	143.7 Å²	143.7	78%	0.779	81%	0.805	S	S	*	*				-149.7	-178.6	68.5	41.1	-21.5	0	0	0	118.2
31	D	31.9	Very low	33.2	Very low	140 Å²	140	137.1 Å²	137.1	75%	0.749	79%	0.794	S	S	*	*			trans	-68	176.2	177.6	-58.3	-80.9	0	0	0	116.2
32	N	32.9	Very low	32.9	Very low	154 Å²	154	135.6 Å²	135.6	82%	0.824	79%	0.792	S	S	*	*			trans	72.2	98	168	-64.5	-48.3	0	0	0	117.8
33	I	35.9	Very low	32.8	Very low	154 Å²	154	140.3 Å²	140.3	79%	0.79	80%	0.798	S	S	*	*			trans	-126.3	107.4	150.9	-57.9	-179.6	0	0	0	108.6	V35	I33-V35 HydrophobicContact CG2-CG2 3.83Å
34	N	29.6	Very low	32.5	Very low	164 Å²	164	143 Å²	143	88%	0.877	80%	0.8	S	S	*	*			trans	-72.6	125.3	162.2	-80.2	-45	0	0	0	108.7
35	V	34.1	Very low	32.6	Very low	123 Å²	123	137 Å²	137	75%	0.745	79%	0.794	S	S	*	*			trans	-109.6	116.6	171.1	-176.3	0	0	0	0	109.6	I33	I33-V35 HydrophobicContact CG2-CG2 3.83Å
36	S	33.2	Very low	32.2	Very low	102 Å²	102	135.5 Å²	135.5	71%	0.713	79%	0.787	S	S	*	*			trans	-18	130.3	172.9	52.2	0	0	0	0	118.3
37	V	28	Very low	32	Very low	142 Å²	142	141.7 Å²	141.7	86%	0.861	80%	0.796	S	S	*	*			trans	-59.6	140.2	154.3	178.8	0	0	0	0	109.7
38	G	32.2	Very low	31.6	Very low	68 Å²	68	140.8 Å²	140.8	70%	0.701	79%	0.791	S	S	*	*			trans	-154.3	120.9	169.7	0	0	0	0	0	110.7
39	D	29.2	Very low	31.2	Very low	163 Å²	163	140.9 Å²	140.9	87%	0.872	79%	0.791	S	S	*	*			trans	-70.6	131	-175.7	-73.6	-67.4	0	0	0	113.1
40	S	33.3	Very low	31	Very low	119 Å²	119	139.4 Å²	139.4	83%	0.832	79%	0.794	S	S	*	*			trans	-143.6	123.1	149.1	55.5	0	0	0	0	109.5
41	S	31	Very low	30.6	Very low	99 Å²	99	138.7 Å²	138.7	69%	0.692	79%	0.792	S	S	*	*			trans	-91.5	168.1	-169.6	53	0	0	0	0	113
42	N	29.8	Very low	30.5	Very low	145 Å²	145	137.4 Å²	137.4	78%	0.775	79%	0.789	S	S	*	*			trans	72.9	93.1	167.1	-49.5	-40.4	0	0	0	117
43	I	32.4	Very low	30.1	Very low	168 Å²	168	135.2 Å²	135.2	86%	0.862	79%	0.786	S	S	*	*				-155.7	123.1	104.7	-91.9	147.2	0	0	0	107.3
44	R	27.4	Very low	29.8	Very low	252 Å²	252	134.1 Å²	134.1	95%	0.951	79%	0.786	S	S	*	*			trans	-100.4	110.8	175.4	-115.5	-176.6	178	-178.5	-1.1	108.6
45	S	31.5	Very low	29.6	Very low	107 Å²	107	132.6 Å²	132.6	75%	0.748	78%	0.783	S	S	*	*			trans	-114.7	115.1	161.7	-177.6	0	0	0	0	107.4
46	S	29.5	Very low	29.3	Very low	101 Å²	101	131 Å²	131	71%	0.706	78%	0.777	S	S	*	*			trans	-103.9	87.1	-172	53.9	0	0	0	0	111.3
47	Y	29.3	Very low	29	Very low	229 Å²	229	132.4 Å²	132.4	90%	0.898	78%	0.782	S	S	*	*			trans	-85.6	119.6	147.6	-94.2	-100.6	0	0	0	107.3
48	V	29.4	Very low	29.1	Very low	120 Å²	120	133.5 Å²	133.5	73%	0.727	78%	0.781	S	S	*	*			trans	-122.4	121.7	177.6	176.1	0	0	0	0	107.5	S50	V48-S50 PolarHBondContact O-N 2.72Å
49	D	26.3	Very low	28.8	Very low	140 Å²	140	141.1 Å²	141.1	75%	0.749	79%	0.789	S	S	*	*			trans	-63.5	116.2	172.4	-71.7	-65.1	0	0	0	110.3	S51	D49-S51 VanDerWaalsContact C-N 3.29Å; D49-S51 PolarHBondContact O-N 3.2Å
50	S	28.8	Very low	28.8	Very low	117 Å²	117	138 Å²	138	82%	0.818	78%	0.78	S	S	*	*			trans	-91.5	46.5	177.3	50.5	0	0	0	0	112.8	V48	V48-S50 PolarHBondContact O-N 2.72Å
51	S	26.1	Very low	28.5	Very low	106 Å²	106	139.4 Å²	139.4	74%	0.741	78%	0.778	S	S	*	*			trans	-101.8	56.9	171.3	68.9	0	0	0	0	111.7	D49	D49-S51 VanDerWaalsContact C-N 3.29Å; D49-S51 PolarHBondContact O-N 3.2Å
52	T	29.7	Very low	28.4	Very low	112 Å²	112	142.1 Å²	142.1	69%	0.687	78%	0.783	S	S	*	*	S	Bend	trans	-132.4	136.9	179	50.9	0	0	0	0	111.5	V54	T52-V54 PolarHBondContact O-N 2.76Å
53	S	25.9	Very low	28.3	Very low	109 Å²	109	140.6 Å²	140.6	76%	0.762	78%	0.783	S	S	*	*			trans	-53.8	128.4	178.7	50.4	0	0	0	0	113.6
54	V	28.7	Very low	27.9	Very low	130 Å²	130	137.5 Å²	137.5	79%	0.788	78%	0.782	S	S	*	*			trans	-106.9	91	171.7	-176.6	0	0	0	0	109.9	T52	T52-V54 PolarHBondContact O-N 2.76Å
55	T	25.3	Very low	28	Very low	133 Å²	133	131 Å²	131	82%	0.816	78%	0.775	S	S	*	*			trans	-113.5	73.7	170.2	50.6	0	0	0	0	110.2
56	S	28.9	Very low	27.8	Very low	89 Å²	89	133.4 Å²	133.4	62%	0.622	78%	0.779	S	S	*	*			trans	-160.9	108.6	167.4	60.2	0	0	0	0	113.8
57	T	26.1	Very low	27.9	Very low	132 Å²	132	134.6 Å²	134.6	81%	0.81	78%	0.778	S	S	*	*			trans	43.8	99.5	131.5	-41.9	0	0	0	0	118.9
58	I	30.1	Very low	27.8	Very low	165 Å²	165	135 Å²	135	85%	0.846	78%	0.778	S	S	*	*			trans	-119.7	132.5	143.2	-61.9	-179.4	0	0	0	107.6
59	R	25.6	Very low	28	Very low	228 Å²	228	135.2 Å²	135.2	86%	0.86	77%	0.772	S	S	*	*			trans	-125.5	163	173.3	-124.4	-177.4	-177.1	-177.2	0.8	107
60	S	29.7	Very low	28.4	Very low	98 Å²	98	134.6 Å²	134.6	69%	0.685	77%	0.768	S	S	*	*			trans	62.7	134.7	-168.7	50.8	0	0	0	0	114.2
61	D	27.1	Very low	28.4	Very low	148 Å²	148	137.3 Å²	137.3	79%	0.791	77%	0.774	S	S	*	*			cis	-158.3	177.7	-1.9	-107.4	-21.3	0	0	0	112
62	I	28.3	Very low	28.7	Very low	155 Å²	155	137 Å²	137	80%	0.795	77%	0.772	S	S	*	*			trans	91.8	101.4	163.5	-62.3	141.9	0	0	0	118.6
63	C	27.3	Very low	28.9	Very low	114 Å²	114	138.4 Å²	138.4	77%	0.77	77%	0.774	S	S	*	*			trans	63.5	90.4	136.5	-61.8	0	0	0	0	123.1
64	A	25.2	Very low	29.3	Very low	102 Å²	102	141.9 Å²	141.9	84%	0.843	78%	0.778	S	S	*	*				55.3	90.3	104.8	0	0	0	0	0	120.5
65	S	28.6	Very low	29.4	Very low	116 Å²	116	144.8 Å²	144.8	81%	0.811	78%	0.783	S	S	*	*			trans	-143	164.1	132.7	50.9	0	0	0	0	109.7	N67	S65-N67 PolarHBondContact O-N 2.91Å
66	D	28.3	Very low	29.7	Very low	157 Å²	157	148.6 Å²	148.6	84%	0.84	78%	0.783	S	S	*	*			trans	-52.9	122.9	-156.3	-67	-75	0	0	0	117
67	N	31.1	Very low	29.9	Very low	126 Å²	126	150.9 Å²	150.9	67%	0.674	79%	0.792	S	S	*	*			trans	-148.4	99.2	165.3	-134.2	-49.1	0	0	0	111	S65	S65-N67 PolarHBondContact O-N 2.91Å
68	R	28	Very low	29.9	Very low	239 Å²	239	152.2 Å²	152.2	90%	0.902	79%	0.794	S	S	*	*			trans	-128	35.1	-177.2	-79.8	-169.6	174.6	-177.4	1.3	113.3
69	M	33.2	Very low	29.9	Very low	124 Å²	124	154 Å²	154	61%	0.611	80%	0.797	S	S	*	*	S	Bend	trans	-136.8	1.1	-178.7	-101.6	-64.6	169.2	0	0	117	D194	M69-D194 WeakPolarHBondContact CE-OD2 3.44Å
70	L	33.9	Very low	30.2	Very low	127 Å²	127	148.2 Å²	148.2	67%	0.665	79%	0.789	S	S	*	*	S	Bend	trans	-113.8	-1.4	-169.8	-86	161.6	0	0	0	116.9
71	N	28.6	Very low	30	Very low	173 Å²	173	153.2 Å²	153.2	93%	0.925	80%	0.802	S	S	*	*	S	Bend	trans	-97.2	22.6	-173.8	-78	-3.1	0	0	0	115.5
72	S	32.8	Very low	30.4	Very low	100 Å²	100	150.8 Å²	150.8	70%	0.699	80%	0.797	S	S	*	*	S	Bend	trans	-115.2	-11.8	-178.4	57.8	0	0	0	0	115.5
73	L	34.3	Very low	30.6	Very low	142 Å²	142	150.4 Å²	150.4	74%	0.743	80%	0.796	S	S	*	*	S	Bend	trans	-114.8	-3.4	-168.6	-77.9	166.1	0	0	0	115.6
74	H	33.4	Very low	30.8	Very low	181 Å²	181	152.5 Å²	152.5	84%	0.838	80%	0.8	S	S	*	*	S	Bend	trans	-101.5	4	-168.6	-112.3	-112.9	0	0	0	116.7
75	E	30.9	Very low	31.1	Very low	192 Å²	192	152.9 Å²	152.9	90%	0.897	79%	0.794	S	S	*	*	S	Bend	trans	-111.3	8.9	-175.7	-69.8	-161.6	135.9	0	0	115.8
76	R	32.8	Very low	31.3	Very low	213 Å²	213	153.2 Å²	153.2	80%	0.804	79%	0.791	S	S	*	*	S	Bend	trans	-122	11.4	-170.1	-74.8	-168.4	173.7	-170.4	-0.7	118
77	V	31.8	Very low	31.3	Very low	136 Å²	136	150.1 Å²	150.1	82%	0.824	78%	0.781	S	S	*	*			trans	-132.2	77.7	173.5	-169	0	0	0	0	111
78	N	27.1	Very low	31.2	Very low	160 Å²	160	155.2 Å²	155.2	86%	0.856	79%	0.791	S	S	*	*			trans	-161.5	87.4	170.1	-100.8	-41.9	0	0	0	110.6
79	F	30.8	Very low	31.2	Very low	204 Å²	204	149 Å²	149	90%	0.895	78%	0.783	S	S	*	*			trans	-157.2	140.4	165.6	-119.9	-80.4	0	0	0	112.3
80	C	30.5	Very low	31	Very low	105 Å²	105	148.5 Å²	148.5	71%	0.709	79%	0.79	S	S	*	*			trans	61.2	83.5	170	-69.5	0	0	0	0	119.2
81	E	26.9	Very low	30.7	Very low	203 Å²	203	147.3 Å²	147.3	95%	0.949	79%	0.793	S	S	*	*				-114.3	122.8	129.9	-77.4	-160.3	138.9	0	0	109.3
82	S	34.5	Very low	30.7	Very low	98 Å²	98	149.6 Å²	149.6	69%	0.685	80%	0.795	S	S	*	*			trans	-158.8	108.8	171	52.3	0	0	0	0	113.6
83	N	33.4	Very low	30.4	Very low	147 Å²	147	148.4 Å²	148.4	79%	0.786	80%	0.799	S	S	*	*			trans	31.2	102.1	150.1	-55.9	-21.5	0	0	0	119.6
84	N	30.7	Very low	30.1	Very low	158 Å²	158	150.3 Å²	150.3	85%	0.845	81%	0.809	S	S	*	*				-178.5	160.2	98.6	-96.8	-48.8	0	0	0	114.1
85	P	32.3	Very low	29.8	Very low	109 Å²	109	144.8 Å²	144.8	71%	0.708	80%	0.802	S	S	*	*			trans	-99	-170.9	-177.1	38.4	-33.6	0	0	0	114.6
86	V	32	Very low	29.6	Very low	124 Å²	124	144.1 Å²	144.1	75%	0.752	80%	0.803	S	S	*	*			trans	110.1	81.4	164	-170.9	0	0	0	0	117.5
87	S	29	Very low	29.4	Very low	91 Å²	91	142.8 Å²	142.8	64%	0.636	81%	0.808	S	S	*	*			trans	62.3	142.3	130.5	87	0	0	0	0	123.4
88	R	27.4	Very low	29.2	Very low	233 Å²	233	144.3 Å²	144.3	88%	0.879	81%	0.812	S	S	*	*			trans	65.5	123.1	152.7	-69.1	173.6	178.8	-179.2	0.2	115.8
89	C	28.4	Very low	29.3	Very low	110 Å²	110	142.3 Å²	142.3	74%	0.743	81%	0.811	S	S	*	*			cis	-156.2	152.4	36.6	-97	0	0	0	0	114.5
90	C	29	Very low	29.2	Very low	112 Å²	112	139.2 Å²	139.2	76%	0.757	81%	0.808	S	S	*	*			trans	50.5	111.8	139.8	-58.7	0	0	0	0	122.3
91	S	27.2	Very low	29.1	Very low	103 Å²	103	143.1 Å²	143.1	72%	0.72	82%	0.815	S	S	*	*				73.3	105.1	125.2	-50.7	0	0	0	0	120.2
92	F	29.1	Very low	29.2	Very low	220 Å²	220	141.1 Å²	141.1	97%	0.965	81%	0.811	S	S	*	*				165.6	124.6	118.6	-96.5	-71.5	0	0	0	108.7
93	G	27.1	Very low	29	Very low	76 Å²	76	141.3 Å²	141.3	78%	0.784	81%	0.813	S	S	*	*			trans	149	10.2	170.8	0	0	0	0	0	120.6	G95	G93-G95 PolarHBondContact O-N 2.87Å
94	D	27.8	Very low	28.8	Very low	181 Å²	181	146 Å²	146	97%	0.968	82%	0.821	S	S	*	*			trans	-69.4	113.9	173.4	-82	-53.5	0	0	0	111.7
95	G	27.2	Very low	28.9	Very low	65 Å²	65	144.6 Å²	144.6	67%	0.67	82%	0.818	S	S	*	*			trans	167	138	171.2	0	0	0	0	0	114.5	G93	G93-G95 PolarHBondContact O-N 2.87Å
96	L	27.5	Very low	28.7	Very low	179 Å²	179	144.4 Å²	144.4	94%	0.937	83%	0.825	S	S	*	*	S	Bend	trans	63.9	60.2	168.1	-65.1	164.7	0	0	0	117.7
97	M	28.8	Very low	28.6	Very low	184 Å²	184	144.1 Å²	144.1	91%	0.906	83%	0.829	S	S	*	*			trans	-143.6	64.2	152.7	-102.3	-63.1	175.9	0	0	110.6
98	N	26.9	Very low	28.7	Very low	169 Å²	169	145.6 Å²	145.6	90%	0.904	84%	0.84	S	S	*	*			trans	-164.9	59.4	-179.9	-116.2	-27.4	0	0	0	113.4
99	S	28.1	Very low	28.9	Very low	118 Å²	118	139.2 Å²	139.2	83%	0.825	84%	0.837	S	S	*	*			trans	-163.5	36.4	174.7	-148	0	0	0	0	117
100	V	29.6	Very low	29	Very low	138 Å²	138	141.5 Å²	141.5	84%	0.836	84%	0.841	S	S	*	*			trans	-136.6	59.7	174.2	-162.5	0	0	0	0	111.9
101	H	28.5	Very low	29.2	Very low	187 Å²	187	143.3 Å²	143.3	87%	0.866	84%	0.844	S	S	*	*	S	Bend	trans	-159.4	71.3	168	-117.4	63.1	0	0	0	111.9
102	N	29.5	Very low	29.6	Very low	162 Å²	162	144.4 Å²	144.4	87%	0.866	85%	0.846	S	S	*	*			trans	-171.7	163.1	153.5	-111.2	-58.8	0	0	0	113.6
103	S	30.6	Very low	30.2	Very low	102 Å²	102	142.9 Å²	142.9	71%	0.713	84%	0.839	S	S	*	*			trans	55.7	78.5	166.3	60.2	0	0	0	0	118.8
104	Y	28.4	Very low	30.9	Very low	245 Å²	245	143.5 Å²	143.5	96%	0.961	83%	0.831	S	S	*	*			trans	-95.7	86.4	137.9	-95.6	-77.6	0	0	0	109.4
105	V	31.6	Very low	32	Very low	128 Å²	128	140 Å²	140	78%	0.776	82%	0.821	S	S	*	*			trans	-132	115	163.8	177.9	0	0	0	0	107.1	S107	V105-S107 PolarHBondContact O-N 2.65Å
106	A	28.2	Very low	32.8	Very low	105 Å²	105	142.5 Å²	142.5	87%	0.868	82%	0.823	S	S	*	*			trans	-72.1	120.1	-174.8	0	0	0	0	0	111.7
107	S	31.6	Very low	34	Very low	118 Å²	118	139 Å²	139	83%	0.825	81%	0.809	S	S	*	*			trans	-150.1	137.8	154.3	59	0	0	0	0	110.2	V105	V105-S107 PolarHBondContact O-N 2.65Å
108	S	30.1	Very low	34.7	Very low	123 Å²	123	139.3 Å²	139.3	86%	0.86	81%	0.808	S	S	*	*			trans	-88.7	121.7	-176.7	45	0	0	0	0	111.7
109	A	32.5	Very low	35.8	Very low	99 Å²	99	137.1 Å²	137.1	82%	0.818	79%	0.792	S	S	*	*			trans	-165.3	136	152.3	0	0	0	0	0	112.1	N111	A109-N111 PolarHBondContact O-N 2.63Å
110	N	30.3	Very low	36.9	Very low	158 Å²	158	135.2 Å²	135.2	85%	0.845	78%	0.779	S	S	*	*			trans	-61.9	128.8	175.4	-60.6	-40.2	0	0	0	112.4
111	N	33.8	Very low	38.4	Very low	150 Å²	150	136.8 Å²	136.8	80%	0.802	78%	0.783	S	S	*	*			trans	-171.2	98.3	140.3	-103.5	-50.6	0	0	0	111.7	A109 K113	A109-N111 PolarHBondContact O-N 2.63Å; N111-K113 PolarHBondContact O-N 3.39Å
112	T	34.7	Very low	40.6	Very low	126 Å²	126	135.4 Å²	135.4	77%	0.773	78%	0.782	S	S	*	*			trans	-72.3	108.4	168.8	47.8	0	0	0	0	110
113	K	40.8	Very low	42.9	Very low	188 Å²	188	136.2 Å²	136.2	82%	0.817	77%	0.773	S	S	*	*			trans	-112	108.5	166.6	-82	-172.1	174.1	-178.7	0	109.6	N111	N111-K113 PolarHBondContact O-N 3.39Å
114	S	42.8	Very low	45.4	Very low	89 Å²	89	139 Å²	139	62%	0.622	78%	0.779	S	S	*	*			trans	-61.5	136.1	172.6	46.8	0	0	0	0	111.5	V116	S114-V116 PolarHBondContact O-N 2.83Å
115	S	50.3	Low	48.1	Very low	107 Å²	107	131 Å²	131	75%	0.748	76%	0.763	S	S	*	*			trans	-86	95.1	178	44.3	0	0	0	0	111.4	V117	S115-V117 PolarHBondContact O-N 3.31Å
116	V	44.8	Very low	50.8	Low	118 Å²	118	134 Å²	134	72%	0.715	76%	0.762	S	S	*	*			trans	-79	103.5	170.4	-178.2	0	0	0	0	109.4	S114 Q118	S114-V116 PolarHBondContact O-N 2.83Å; V116-Q118 PolarHBondContact O-N 3.45Å
117	V	51.8	Low	53.7	Low	105 Å²	105	134.8 Å²	134.8	64%	0.636	76%	0.756	S	S	*	*			trans	-72.4	121	168.7	-178.8	0	0	0	0	108.5	S115 Q119	S115-V117 PolarHBondContact O-N 3.31Å; V117-Q119 PolarHBondContact O-N 3.28Å; V117-Q119 VanDerWaalsContact O-N 3.08Å
118	Q	43.6	Very low	56.6	Low	190 Å²	190	130.7 Å²	130.7	89%	0.888	73%	0.729	S	S	*	*			trans	-69.4	105.8	177.2	-73.9	-177	-32.4	0	0	110.8	V116	V116-Q118 PolarHBondContact O-N 3.45Å
119	Q	50.4	Low	59.4	Low	124 Å²	124	130.5 Å²	130.5	58%	0.579	72%	0.715	S	S	*	*			trans	-114.4	173.2	159.6	-65.3	-168.4	-1.4	0	0	109.3	V117	V117-Q119 PolarHBondContact O-N 3.28Å; V117-Q119 VanDerWaalsContact O-N 3.08Å
120	S	50.4	Low	62.2	Low	78 Å²	78	135.5 Å²	135.5	55%	0.545	71%	0.712	S	S	.	*			trans	-56	147.4	-169.8	48.8	0	0	0	0	114.1	D122 R123	S120-D122 PolarHBondContact O-N 2.77Å; S120-R123 PolarHBondContact O-N 2.85Å
121	N	61.7	Low	65.3	Low	170 Å²	170	133.5 Å²	133.5	91%	0.909	70%	0.698	S	S	*	*	T	Hydrogen-bonded Turn	trans	-50.8	-21.7	-169.9	-73.2	-3.3	0	0	0	116.5	R123	N121-R123 VanDerWaalsContact C-N 3.34Å
122	D	75.3	Confident	68	Low	158 Å²	158	129.7 Å²	129.7	85%	0.845	68%	0.681	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.3	8	178	-55.2	-51	0	0	0	114	S120	S120-D122 PolarHBondContact O-N 2.77Å
123	R	76.8	Confident	70.7	Confident	180 Å²	180	128.6 Å²	128.6	68%	0.679	67%	0.67	S	S	*	*			trans	-135.8	104.9	-178.6	-69.7	-173.7	175	-172.7	-1.8	113.1	S120 N121	S120-R123 PolarHBondContact O-N 2.85Å; N121-R123 VanDerWaalsContact C-N 3.34Å
124	L	82.6	Confident	73.3	Confident	161 Å²	161	122.2 Å²	122.2	84%	0.843	65%	0.648	S	S	*	*			trans	-86.4	106.7	164.6	-178.5	64.6	0	0	0	110
125	A	85.7	Confident	75.7	Confident	76 Å²	76	119.9 Å²	119.9	63%	0.628	63%	0.632	S	S	*	*			trans	-80.2	136	165.4	0	0	0	0	0	109.9
126	Y	88.5	Confident	77.9	Confident	190 Å²	190	118 Å²	118	75%	0.745	61%	0.611	S	S	*	*			trans	-136.4	128.5	177	171.7	-111.9	0	0	0	110.5	A128	Y126-A128 HydrophobicContact CE1-CB 3.74Å
127	T	89.6	Confident	80.2	Confident	123 Å²	123	117 Å²	117	76%	0.755	60%	0.599	S	S	*	*			trans	-117.9	117.1	175.9	-56.7	0	0	0	0	108.6	E129	T127-E129 PolarHBondContact O-N 2.98Å; T127-E129 VanDerWaalsContact O-N 3.16Å
128	A	91.3	Very high	82.3	Confident	31 Å²	31	113.1 Å²	113.1	26%	0.256	58%	0.577	S	S	.	*			trans	-83.6	88.5	-177.9	0	0	0	0	0	111.2	Y126 R130 H131 P132	Y126-A128 HydrophobicContact CE1-CB 3.74Å; A128-R130 PolarHBondContact O-N 2.93Å; A128-H131 HydrophobicContact CB-CB 3.61Å; A128-H131 WeakPolarHBondContact O-CB 3.44Å; A128-H131 PolarHBondContact O-N 2.83Å; A128-P132 VanDerWaalsContact O-CD 3.28Å; A128-P132 WeakPolarHBondContact O-CD 3.41Å
129	E	89.5	Confident	84.8	Confident	119 Å²	119	106.4 Å²	106.4	56%	0.556	55%	0.546	S	S	*	.	T	Hydrogen-bonded Turn	trans	-46.2	-37.8	-179.7	-65.1	170.1	-172.8	0	0	113.9	T127	T127-E129 PolarHBondContact O-N 2.98Å; T127-E129 VanDerWaalsContact O-N 3.16Å
130	R	92.5	Very high	87	Confident	204 Å²	204	101.9 Å²	101.9	77%	0.77	53%	0.526	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.7	-16.5	-179.8	-62.1	-174.8	-176.8	-172.9	-0.1	114.8	A128 I133 S134	A128-R130 PolarHBondContact O-N 2.93Å; R130-I133 PolarHBondContact O-N 3.33Å; R130-S134 PolarHBondContact O-N 3.35Å; R130-S134 PolarHBondContact O-OG 3Å
131	H	93.7	Very high	89.2	Confident	116 Å²	116	104.6 Å²	104.6	54%	0.537	53%	0.525	S	S	.	.	H	α-helix	trans	-64.2	-47.5	-171.8	179.8	43.5	0	0	0	112.7	A128 I133 S134 S135	A128-H131 HydrophobicContact CB-CB 3.61Å; A128-H131 WeakPolarHBondContact O-CB 3.44Å; A128-H131 PolarHBondContact O-N 2.83Å; H131-I133 PolarHBondContact O-N 2.84Å; H131-S134 WeakPolarHBondContact CA-OG 3.25Å; H131-S134 PolarHBondContact O-N 3.21Å; H131-S134 PolarHBondContact O-OG 2.82Å; H131-S135 PolarHBondContact CE1-OG 2.77Å; H131-S135 PolarHBondContact ND1-OG 2.57Å; H131-S135 PolarHBondContact O-N 2.91Å; H131-S135 PolarHBondContact O-OG 2.82Å; H131-S135 VanDerWaalsContact O-OG 3.11Å
132	P	91.4	Very high	90.9	Very high	71 Å²	71	100 Å²	100	46%	0.461	50%	0.497	S	S	.	.	H	α-helix	trans	-54.4	-50.1	175	-25.7	35.2	0	0	0	112.1	A128 S134 S135 F136	A128-P132 VanDerWaalsContact O-CD 3.28Å; A128-P132 WeakPolarHBondContact O-CD 3.41Å; P132-S134 PolarHBondContact O-N 3.49Å; P132-S135 WeakPolarHBondContact O-CB 3.2Å; P132-S135 PolarHBondContact O-N 2.73Å; P132-S135 VanDerWaalsContact O-N 3.09Å; P132-F136 WeakPolarHBondContact O-CD2 3.27Å; P132-F136 PolarHBondContact O-N 3.32Å
133	I	92	Very high	91.9	Very high	103 Å²	103	93 Å²	93	53%	0.528	46%	0.458	S	S	.	.	H	α-helix	trans	-55.7	-52	179.7	-54.7	174.3	0	0	0	110.3	R130 H131 S135 F136 E137	R130-I133 PolarHBondContact O-N 3.33Å; H131-I133 PolarHBondContact O-N 2.84Å; I133-S135 PolarHBondContact O-N 2.79Å; I133-F136 PolarHBondContact O-N 2.76Å; I133-E137 HydrophobicContact CG2-CG 4.5Å; I133-E137 WeakPolarHBondContact O-CG 3.44Å; I133-E137 PolarHBondContact O-N 2.87Å
134	S	93.7	Very high	92.8	Very high	53 Å²	53	89.6 Å²	89.6	37%	0.371	45%	0.448	S	S	.	.	H	α-helix	trans	-62.4	-29	179.8	66.6	0	0	0	0	114.1	R130 H131 P132 A138	R130-S134 PolarHBondContact O-N 3.35Å; R130-S134 PolarHBondContact O-OG 3Å; H131-S134 WeakPolarHBondContact CA-OG 3.25Å; H131-S134 PolarHBondContact O-N 3.21Å; H131-S134 PolarHBondContact O-OG 2.82Å; P132-S134 PolarHBondContact O-N 3.49Å; S134-A138 WeakPolarHBondContact O-CB 3.19Å; S134-A138 PolarHBondContact O-N 2.82Å
135	S	94.8	Very high	93.4	Very high	41 Å²	41	86.9 Å²	86.9	29%	0.287	44%	0.435	S	S	.	.	H	α-helix	trans	-77.1	-41.9	176.2	-64.1	0	0	0	0	111.8	H131 P132 I133 A138 M139	H131-S135 PolarHBondContact CE1-OG 2.77Å; H131-S135 PolarHBondContact ND1-OG 2.57Å; H131-S135 PolarHBondContact O-N 2.91Å; H131-S135 PolarHBondContact O-OG 2.82Å; H131-S135 VanDerWaalsContact O-OG 3.11Å; P132-S135 WeakPolarHBondContact O-CB 3.2Å; P132-S135 PolarHBondContact O-N 2.73Å; P132-S135 VanDerWaalsContact O-N 3.09Å; I133-S135 PolarHBondContact O-N 2.79Å; S135-A138 WeakPolarHBondContact O-CB 3.18Å; S135-A138 PolarHBondContact O-N 3.4Å; S135-M139 WeakPolarHBondContact O-CG 3.24Å; S135-M139 PolarHBondContact O-N 3.29Å
136	F	94.9	Very high	93.9	Very high	66 Å²	66	88.9 Å²	88.9	29%	0.289	43%	0.429	S	S	.	.	H	α-helix	trans	-66	-40.8	173.7	-85.4	-85.1	0	0	0	111.9	P132 I133 A138 M139 N140 V166	P132-F136 WeakPolarHBondContact O-CD2 3.27Å; P132-F136 PolarHBondContact O-N 3.32Å; I133-F136 PolarHBondContact O-N 2.76Å; F136-A138 VanDerWaalsContact C-N 3.27Å; F136-A138 PolarHBondContact O-N 2.9Å; F136-M139 HydrophobicContact CB-CE 4.38Å; F136-M139 HydrophobicContact CD1-CE 3.6Å; F136-M139 HydrophobicContact CD2-CE 4.09Å; F136-M139 HydrophobicContact CE1-CE 3.79Å; F136-M139 HydrophobicContact CE2-CE 4.24Å; F136-M139 HydrophobicContact CG-CE 3.76Å; F136-M139 HydrophobicContact CZ-CE 4.1Å; F136-M139 PolarHBondContact O-N 3.21Å; F136-N140 WeakPolarHBondContact O-CB 3.41Å; F136-N140 PolarHBondContact O-N 3.5Å; F136-V166 HydrophobicContact CE1-CG1 4.21Å
137	E	94.7	Very high	94.2	Very high	99 Å²	99	84 Å²	84	46%	0.463	41%	0.413	S	S	.	.	H	α-helix	trans	-55.9	-39.7	169.2	-74.8	177.4	-167.4	0	0	112.6	I133 N140 R141	I133-E137 HydrophobicContact CG2-CG 4.5Å; I133-E137 WeakPolarHBondContact O-CG 3.44Å; I133-E137 PolarHBondContact O-N 2.87Å; E137-N140 PolarHBondContact O-N 3.4Å; E137-R141 WeakPolarHBondContact O-CG 3.45Å; E137-R141 PolarHBondContact O-N 2.87Å; E137-R141 IonicContact OE2-NH1 3.59Å
138	A	95.8	Very high	94.4	Very high	22 Å²	22	84.4 Å²	84.4	18%	0.182	41%	0.41	C	S	.	.	H	α-helix	trans	-68	-46.5	176.9	0	0	0	0	0	112	S134 S135 F136 N140 R141 F142	S134-A138 WeakPolarHBondContact O-CB 3.19Å; S134-A138 PolarHBondContact O-N 2.82Å; S135-A138 WeakPolarHBondContact O-CB 3.18Å; S135-A138 PolarHBondContact O-N 3.4Å; F136-A138 VanDerWaalsContact C-N 3.27Å; F136-A138 PolarHBondContact O-N 2.9Å; A138-N140 PolarHBondContact O-N 2.83Å; A138-R141 PolarHBondContact O-N 2.82Å; A138-R141 VanDerWaalsContact O-N 3.15Å; A138-F142 HydrophobicContact CB-CE2 4.44Å; A138-F142 WeakPolarHBondContact O-CD2 3.49Å; A138-F142 WeakPolarHBondContact O-CG 3.24Å; A138-F142 PolarHBondContact O-N 3.19Å
139	M	96.2	Very high	94.6	Very high	49 Å²	49	84.5 Å²	84.5	24%	0.241	41%	0.408	C	S	.	.	H	α-helix	trans	-61.5	-32.4	174.4	-66.9	-175.5	-65.2	0	0	112.2	S135 F136 R143 V166 Y208	S135-M139 WeakPolarHBondContact O-CG 3.24Å; S135-M139 PolarHBondContact O-N 3.29Å; F136-M139 HydrophobicContact CB-CE 4.38Å; F136-M139 HydrophobicContact CD1-CE 3.6Å; F136-M139 HydrophobicContact CD2-CE 4.09Å; F136-M139 HydrophobicContact CE1-CE 3.79Å; F136-M139 HydrophobicContact CE2-CE 4.24Å; F136-M139 HydrophobicContact CG-CE 3.76Å; F136-M139 HydrophobicContact CZ-CE 4.1Å; F136-M139 PolarHBondContact O-N 3.21Å; M139-R143 WeakPolarHBondContact O-CB 3.46Å; M139-R143 PolarHBondContact O-N 2.91Å; M139-V166 HydrophobicContact CE-CG2 4.22Å; M139-V166 HydrophobicContact SD-CG2 3.86Å; M139-Y208 HydrophobicContact CB-CD1 4.22Å; M139-Y208 HydrophobicContact CB-CE1 4.15Å
140	N	96.5	Very high	94.9	Very high	30 Å²	30	82.5 Å²	82.5	16%	0.16	40%	0.401	C	S	.	.	H	α-helix	trans	-68.7	-40	174.8	-161.4	23.1	0	0	0	112.1	F136 E137 A138 R143 K144 Y208 T209	F136-N140 WeakPolarHBondContact O-CB 3.41Å; F136-N140 PolarHBondContact O-N 3.5Å; E137-N140 PolarHBondContact O-N 3.4Å; A138-N140 PolarHBondContact O-N 2.83Å; N140-R143 PolarHBondContact O-N 2.8Å; N140-R143 PolarHBondContact OD1-NE 2.81Å; N140-R143 PolarHBondContact OD1-NH2 3.5Å; N140-K144 PolarHBondContact O-N 2.98Å; N140-Y208 HydrophobicContact CB-CD1 4.16Å; N140-Y208 HydrophobicContact CB-CG 4.47Å; N140-Y208 WeakPolarHBondContact OD1-CB 3.26Å; N140-T209 WeakPolarHBondContact ND2-CG2 3.32Å
141	R	96.9	Very high	95	Very high	135 Å²	135	72.9 Å²	72.9	51%	0.509	37%	0.366	S	S	.	.	H	α-helix	trans	-62.6	-47.2	172.9	-72.7	-176.2	-64.8	-95	2.1	111.4	E137 A138 R143 K144 N145	E137-R141 WeakPolarHBondContact O-CG 3.45Å; E137-R141 PolarHBondContact O-N 2.87Å; E137-R141 IonicContact OE2-NH1 3.59Å; A138-R141 PolarHBondContact O-N 2.82Å; A138-R141 VanDerWaalsContact O-N 3.15Å; R141-R143 VanDerWaalsContact C-N 3.31Å; R141-R143 PolarHBondContact O-N 3.46Å; R141-K144 PolarHBondContact O-N 2.87Å; R141-N145 WeakPolarHBondContact O-CB 3.39Å; R141-N145 PolarHBondContact O-N 2.8Å
142	F	96.8	Very high	95.1	Very high	74 Å²	74	68.4 Å²	68.4	33%	0.325	35%	0.346	S	S	.	.	H	α-helix	trans	-56.1	-47.7	174.7	-57.7	-35.6	0	0	0	110.9	A138 N145 K146 E147 L148	A138-F142 HydrophobicContact CB-CE2 4.44Å; A138-F142 WeakPolarHBondContact O-CD2 3.49Å; A138-F142 WeakPolarHBondContact O-CG 3.24Å; A138-F142 PolarHBondContact O-N 3.19Å; F142-N145 CarbonylContact O-C 3.59Å; F142-N145 PolarHBondContact O-N 2.82Å; F142-K146 PolarHBondContact O-N 3.33Å; F142-K146 VanDerWaalsContact O-N 3.09Å; F142-E147 CarbonylContact C-O 3.57Å; F142-E147 HydrophobicContact CB-CB 4.12Å; F142-E147 WeakPolarHBondContact CD1-OE2 3.35Å; F142-E147 PolarHBondContact O-N 2.86Å; F142-L148 HydrophobicContact CD2-CD1 4.21Å; F142-L148 HydrophobicContact CE2-CD1 4.43Å; F142-L148 HydrophobicContact CG-CD1 4.49Å
143	R	96.4	Very high	95.3	Very high	10 Å²	10	65 Å²	65	4%	0.038	32%	0.324	C	S	.	.	H	α-helix	trans	-57.2	-53.5	178	-173.9	-176.9	57.4	116.9	-2.3	113	M139 N140 R141 N145 K146 Y161 D205 Y208	M139-R143 WeakPolarHBondContact O-CB 3.46Å; M139-R143 PolarHBondContact O-N 2.91Å; N140-R143 PolarHBondContact O-N 2.8Å; N140-R143 PolarHBondContact OD1-NE 2.81Å; N140-R143 PolarHBondContact OD1-NH2 3.5Å; R141-R143 VanDerWaalsContact C-N 3.31Å; R141-R143 PolarHBondContact O-N 3.46Å; R143-N145 PolarHBondContact O-N 2.79Å; R143-K146 PolarHBondContact O-N 2.77Å; R143-Y161 VanDerWaalsContact CD-O 3.29Å; R143-Y161 WeakPolarHBondContact CD-O 3.34Å; R143-Y161 WeakPolarHBondContact CG-O 3.36Å; R143-D205 IonicContact CZ-OD1 2.75Å; R143-D205 IonicContact NH1-OD1 2.62Å; R143-D205 PolarHBondContact NH1-OD1 3.2Å; R143-D205 VanDerWaalsContact NH2-CG 3.3Å; R143-D205 IonicContact NH2-OD1 3.16Å; R143-D205 PolarHBondContact NH2-OD1 3.1Å; R143-D205 IonicContact NH2-OD2 2.71Å; R143-Y208 HydrophobicContact CB-CD1 4.41Å; R143-Y208 HydrophobicContact CB-CE1 4.03Å; R143-Y208 HydrophobicContact CG-CE1 4.48Å
144	K	95.1	Very high	95.5	Very high	109 Å²	109	62.3 Å²	62.3	47%	0.474	31%	0.311	S	S	.	.	H	α-helix	trans	-67	-22.9	-178.7	-64.5	-68	-166.9	-172.1	0	112.2	N140 R141 D205	N140-K144 PolarHBondContact O-N 2.98Å; R141-K144 PolarHBondContact O-N 2.87Å; K144-D205 WeakPolarHBondContact CE-OD2 3.44Å; K144-D205 VanDerWaalsContact NZ-CG 3.26Å; K144-D205 IonicContact NZ-OD1 2.7Å; K144-D205 PolarHBondContact NZ-OD1 3.17Å; K144-D205 IonicContact NZ-OD2 2.9Å; K144-D205 PolarHBondContact NZ-OD2 2.86Å
145	N	95.9	Very high	95.6	Very high	103 Å²	103	59.9 Å²	59.9	55%	0.551	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82	-6.6	169.8	-71.9	8	0	0	0	114.4	R141 F142 R143 E147	R141-N145 WeakPolarHBondContact O-CB 3.39Å; R141-N145 PolarHBondContact O-N 2.8Å; F142-N145 CarbonylContact O-C 3.59Å; F142-N145 PolarHBondContact O-N 2.82Å; R143-N145 PolarHBondContact O-N 2.79Å; N145-E147 HydrophobicContact CB-CB 4.43Å; N145-E147 HydrophobicContact CB-CG 3.82Å; N145-E147 VanDerWaalsContact CB-OE1 3.29Å; N145-E147 WeakPolarHBondContact CB-OE1 3.43Å; N145-E147 PolarHBondContact ND2-OE1 2.86Å; N145-E147 PolarHBondContact O-N 2.74Å
146	K	95.8	Very high	95.5	Very high	119 Å²	119	63.3 Å²	63.3	52%	0.517	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	59.4	24.6	-167.2	-54.4	-175.8	173.1	-167.7	0	114.2	F142 R143 Y161	F142-K146 PolarHBondContact O-N 3.33Å; F142-K146 VanDerWaalsContact O-N 3.09Å; R143-K146 PolarHBondContact O-N 2.77Å; K146-Y161 HydrophobicContact CB-CD1 4.16Å; K146-Y161 HydrophobicContact CD-CD1 3.75Å; K146-Y161 HydrophobicContact CD-CD2 4.04Å; K146-Y161 HydrophobicContact CD-CE1 3.7Å; K146-Y161 HydrophobicContact CD-CE2 4.04Å; K146-Y161 HydrophobicContact CD-CG 3.94Å; K146-Y161 VanDerWaalsContact CE-CD2 3.46Å; K146-Y161 HydrophobicContact CG-CD1 3.89Å; K146-Y161 HydrophobicContact CG-CD2 4.34Å; K146-Y161 HydrophobicContact CG-CE1 4.35Å; K146-Y161 HydrophobicContact CG-CG 3.89Å; K146-Y161 PolarHBondContact NZ-OH 3.47Å
147	E	94.6	Very high	95.2	Very high	86 Å²	86	64.4 Å²	64.4	40%	0.402	34%	0.339	S	S	.	.			trans	-83.6	139.7	172.8	-67.4	167.1	-148.5	0	0	110.4	F142 N145 C149 H163	F142-E147 CarbonylContact C-O 3.57Å; F142-E147 HydrophobicContact CB-CB 4.12Å; F142-E147 WeakPolarHBondContact CD1-OE2 3.35Å; F142-E147 PolarHBondContact O-N 2.86Å; N145-E147 HydrophobicContact CB-CB 4.43Å; N145-E147 HydrophobicContact CB-CG 3.82Å; N145-E147 VanDerWaalsContact CB-OE1 3.29Å; N145-E147 WeakPolarHBondContact CB-OE1 3.43Å; N145-E147 PolarHBondContact ND2-OE1 2.86Å; N145-E147 PolarHBondContact O-N 2.74Å; E147-C149 PolarHBondContact O-N 3.08Å; E147-H163 PolarHBondContact O-NE2 3.08Å
148	L	94	Very high	95.1	Very high	132 Å²	132	63.3 Å²	63.3	69%	0.691	33%	0.33	S	S	*	.	S	Bend	trans	59.3	-1.7	173.6	-55.9	177.5	0	0	0	117.5	F142 D150 H163	F142-L148 HydrophobicContact CD2-CD1 4.21Å; F142-L148 HydrophobicContact CE2-CD1 4.43Å; F142-L148 HydrophobicContact CG-CD1 4.49Å; L148-D150 PolarHBondContact O-N 3.42Å; L148-H163 PolarHBondContact O-CD2 2.65Å; L148-H163 VanDerWaalsContact O-CD2 3.28Å
149	C	95.4	Very high	95.1	Very high	33 Å²	33	67.8 Å²	67.8	22%	0.223	35%	0.348	C	S	.	.			trans	-56.8	128	173.1	-63.7	0	0	0	0	112	E147 T162	E147-C149 PolarHBondContact O-N 3.08Å; C149-T162 CarbonylContact C-O 3.6Å; C149-T162 VanDerWaalsContact CA-O 3.25Å; C149-T162 WeakPolarHBondContact CA-O 3.47Å; C149-T162 VanDerWaalsContact CB-O 3.3Å; C149-T162 WeakPolarHBondContact CB-O 3.42Å
150	D	94.8	Very high	95.1	Very high	77 Å²	77	65.9 Å²	65.9	41%	0.412	34%	0.338	S	S	.	.			trans	-116.3	3.5	-177	65.1	-9.4	0	0	0	113.3	L148 T162 H163 R164	L148-D150 PolarHBondContact O-N 3.42Å; D150-T162 PolarHBondContact N-O 2.84Å; D150-T162 VanDerWaalsContact N-O 3.11Å; D150-H163 WeakPolarHBondContact OD1-CA 3.35Å; D150-R164 PolarHBondContact O-NE 3.1Å; D150-R164 WeakPolarHBondContact OD1-CG 3.26Å; D150-R164 PolarHBondContact OD1-N 2.88Å; D150-R164 WeakPolarHBondContact OD2-CD 3.37Å
151	V	95.3	Very high	95.1	Very high	3 Å²	3	67.5 Å²	67.5	2%	0.018	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	140.6	163.8	70.4	0	0	0	0	112.1	T162 R164 L167 F178 T188 V190	V151-T162 WeakPolarHBondContact CG1-OG1 3.26Å; V151-T162 PolarHBondContact N-O 3.07Å; V151-T162 CarbonylContact O-C 3.58Å; V151-T162 PolarHBondContact O-N 2.73Å; V151-T162 PolarHBondContact O-OG1 2.82Å; V151-T162 VanDerWaalsContact O-OG1 3.05Å; V151-R164 HydrophobicContact CB-CG 3.75Å; V151-R164 HydrophobicContact CG1-CG 3.55Å; V151-L167 HydrophobicContact CG1-CD1 4.49Å; V151-F178 HydrophobicContact CG1-CE1 4.41Å; V151-F178 HydrophobicContact CG1-CE2 4.44Å; V151-F178 HydrophobicContact CG1-CZ 3.89Å; V151-F178 HydrophobicContact CG2-CE1 4.19Å; V151-F178 HydrophobicContact CG2-CZ 4.31Å; V151-T188 CarbonylContact C-O 3.53Å; V151-T188 WeakPolarHBondContact CA-O 3.46Å; V151-V190 HydrophobicContact CG2-CB 4.35Å; V151-V190 HydrophobicContact CG2-CG2 3.82Å
152	V	96.4	Very high	95.1	Very high	22 Å²	22	61 Å²	61	13%	0.133	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	127.5	168	-175.2	0	0	0	0	108.3	L154 E159 I160 Y161 T188 E189 V190	V152-L154 HydrophobicContact CG1-CD2 4.05Å; V152-E159 HydrophobicContact CG1-CB 3.9Å; V152-E159 HydrophobicContact CG1-CG 4.41Å; V152-I160 WeakPolarHBondContact CA-O 3.47Å; V152-Y161 HydrophobicContact CG1-CD2 4.31Å; V152-Y161 HydrophobicContact CG1-CE2 4.24Å; V152-Y161 HydrophobicContact CG2-CD1 3.72Å; V152-Y161 HydrophobicContact CG2-CE1 3.79Å; V152-Y161 HydrophobicContact CG2-CG 4.09Å; V152-T188 PolarHBondContact N-O 3.25Å; V152-E189 HydrophobicContact CB-CG 4.31Å; V152-E189 CarbonylContact O-C 3.55Å; V152-E189 WeakPolarHBondContact O-CA 2.91Å; V152-V190 PolarHBondContact O-N 2.85Å
153	L	95.9	Very high	95.1	Very high	0 Å²	0	58.3 Å²	58.3	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	130.5	170.3	-54.6	177.6	0	0	0	108.8	I160 T162 L167 F174 V190 L192 I204	L153-I160 HydrophobicContact CB-CB 4.33Å; L153-I160 PolarHBondContact N-O 3.02Å; L153-I160 PolarHBondContact O-N 2.81Å; L153-T162 HydrophobicContact CD1-CG2 4.37Å; L153-L167 HydrophobicContact CD1-CD1 3.95Å; L153-L167 HydrophobicContact CD2-CD1 4.44Å; L153-L167 HydrophobicContact CG-CD1 4.45Å; L153-F174 HydrophobicContact CD1-CE1 4.18Å; L153-F174 HydrophobicContact CD1-CZ 3.79Å; L153-F174 HydrophobicContact CD2-CE1 3.96Å; L153-F174 HydrophobicContact CD2-CZ 4.41Å; L153-V190 CarbonylContact C-O 3.59Å; L153-V190 WeakPolarHBondContact CA-O 3.42Å; L153-V190 HydrophobicContact CD2-CB 4.28Å; L153-L192 HydrophobicContact CB-CD1 4.46Å; L153-L192 HydrophobicContact CD1-CD1 4.22Å; L153-I204 HydrophobicContact CD1-CD1 3.85Å; L153-I204 HydrophobicContact CD1-CG1 4.13Å
154	L	96.3	Very high	95.1	Very high	46 Å²	46	60 Å²	60	24%	0.241	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	112.3	174.6	-55.2	179.5	0	0	0	108.5	V152 R158 E159 E189 V190 T191 L192	V152-L154 HydrophobicContact CG1-CD2 4.05Å; L154-R158 WeakPolarHBondContact CA-O 3.41Å; L154-E159 HydrophobicContact CD2-CB 4.45Å; L154-E159 HydrophobicContact CD2-CG 3.9Å; L154-E189 HydrophobicContact CD1-CB 4.19Å; L154-V190 PolarHBondContact N-O 2.82Å; L154-T191 HydrophobicContact CB-CG2 4.45Å; L154-T191 CarbonylContact O-C 3.5Å; L154-T191 WeakPolarHBondContact O-CA 3.35Å; L154-L192 PolarHBondContact O-N 2.79Å
155	V	95.1	Very high	95.1	Very high	2 Å²	2	59.8 Å²	59.8	1%	0.012	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	130	-177.1	60.2	0	0	0	0	109.9	G157 R158 I160 L192 L195 V200	V155-G157 PolarHBondContact O-N 2.88Å; V155-G157 VanDerWaalsContact O-N 3.1Å; V155-R158 PolarHBondContact N-O 3.29Å; V155-R158 VanDerWaalsContact N-O 3.13Å; V155-R158 WeakPolarHBondContact O-CA 3.32Å; V155-R158 VanDerWaalsContact O-CB 3.31Å; V155-R158 WeakPolarHBondContact O-CB 3Å; V155-R158 PolarHBondContact O-N 3.07Å; V155-I160 HydrophobicContact CG1-CD1 3.54Å; V155-I160 HydrophobicContact CG1-CG1 4.22Å; V155-L192 HydrophobicContact CB-CB 4.27Å; V155-L192 HydrophobicContact CG2-CB 4.37Å; V155-L195 HydrophobicContact CG2-CB 4.07Å; V155-L195 WeakPolarHBondContact CG2-O 3.4Å; V155-V200 HydrophobicContact CG1-CB 4.16Å; V155-V200 HydrophobicContact CG1-CG1 4.05Å; V155-V200 HydrophobicContact CG2-CB 4.28Å; V155-V200 HydrophobicContact CG2-CG2 4.08Å
156	D	91.9	Very high	95.1	Very high	113 Å²	113	55.1 Å²	55.1	60%	0.604	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	43.8	44.3	-176.8	-167.5	38.9	0	0	0	114	R158	D156-R158 PolarHBondContact O-N 2.98Å
157	G	89.8	Confident	95.1	Very high	89 Å²	89	49.4 Å²	49.4	92%	0.918	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.6	1.7	-177.6	0	0	0	0	0	116.2	V155	V155-G157 PolarHBondContact O-N 2.88Å; V155-G157 VanDerWaalsContact O-N 3.1Å
158	R	92.6	Very high	95.1	Very high	75 Å²	75	46.3 Å²	46.3	28%	0.283	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	147	176.2	-50.9	-174	-172.7	-163.4	4.5	112	L154 V155 D156 D198 E201	L154-R158 WeakPolarHBondContact CA-O 3.41Å; V155-R158 PolarHBondContact N-O 3.29Å; V155-R158 VanDerWaalsContact N-O 3.13Å; V155-R158 WeakPolarHBondContact O-CA 3.32Å; V155-R158 VanDerWaalsContact O-CB 3.31Å; V155-R158 WeakPolarHBondContact O-CB 3Å; V155-R158 PolarHBondContact O-N 3.07Å; D156-R158 PolarHBondContact O-N 2.98Å; R158-D198 IonicContact CZ-OD1 3.36Å; R158-D198 IonicContact CZ-OD2 3.64Å; R158-D198 IonicContact NH1-OD1 2.71Å; R158-D198 PolarHBondContact NH1-OD1 2.81Å; R158-D198 IonicContact NH1-OD2 3.77Å; R158-D198 IonicContact NH2-OD1 3.17Å; R158-D198 PolarHBondContact NH2-OD1 2.77Å; R158-D198 IonicContact NH2-OD2 2.71Å; R158-D198 PolarHBondContact NH2-OD2 3.05Å; R158-E201 IonicContact NH1-OE2 3.45Å; R158-E201 PolarHBondContact NH1-OE2 3.14Å
159	E	95.6	Very high	95.2	Very high	117 Å²	117	43.6 Å²	43.6	55%	0.547	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	106.7	170.2	-65.1	175.3	-168.7	0	0	110.8	V152 L154 Y161	V152-E159 HydrophobicContact CG1-CB 3.9Å; V152-E159 HydrophobicContact CG1-CG 4.41Å; L154-E159 HydrophobicContact CD2-CB 4.45Å; L154-E159 HydrophobicContact CD2-CG 3.9Å; E159-Y161 HydrophobicContact CB-CD2 4.27Å; E159-Y161 HydrophobicContact CB-CE2 3.6Å; E159-Y161 HydrophobicContact CG-CE2 4.49Å; E159-Y161 WeakPolarHBondContact OE2-CE2 3.22Å; E159-Y161 VanDerWaalsContact OE2-CZ 3.25Å; E159-Y161 PolarHBondContact OE2-OH 2.81Å
160	I	96.2	Very high	95.2	Very high	8 Å²	8	44.3 Å²	44.3	4%	0.041	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	104.1	177.1	-49.7	176.9	0	0	0	109.4	V152 L153 V155 T162 V200 E201 I204	V152-I160 WeakPolarHBondContact CA-O 3.47Å; L153-I160 HydrophobicContact CB-CB 4.33Å; L153-I160 PolarHBondContact N-O 3.02Å; L153-I160 PolarHBondContact O-N 2.81Å; V155-I160 HydrophobicContact CG1-CD1 3.54Å; V155-I160 HydrophobicContact CG1-CG1 4.22Å; I160-T162 HydrophobicContact CG2-CG2 3.98Å; I160-V200 HydrophobicContact CD1-CG1 4.03Å; I160-E201 HydrophobicContact CD1-CB 3.9Å; I160-E201 HydrophobicContact CD1-CG 4.46Å; I160-I204 HydrophobicContact CG2-CB 4.41Å; I160-I204 HydrophobicContact CG2-CG1 4.25Å; I160-I204 HydrophobicContact CG2-CG2 4.16Å
161	Y	97.2	Very high	95.3	Very high	64 Å²	64	40.8 Å²	40.8	25%	0.251	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	130.9	-179.8	-67.8	-112.8	0	0	0	109.4	R143 K146 V152 E159	R143-Y161 VanDerWaalsContact CD-O 3.29Å; R143-Y161 WeakPolarHBondContact CD-O 3.34Å; R143-Y161 WeakPolarHBondContact CG-O 3.36Å; K146-Y161 HydrophobicContact CB-CD1 4.16Å; K146-Y161 HydrophobicContact CD-CD1 3.75Å; K146-Y161 HydrophobicContact CD-CD2 4.04Å; K146-Y161 HydrophobicContact CD-CE1 3.7Å; K146-Y161 HydrophobicContact CD-CE2 4.04Å; K146-Y161 HydrophobicContact CD-CG 3.94Å; K146-Y161 VanDerWaalsContact CE-CD2 3.46Å; K146-Y161 HydrophobicContact CG-CD1 3.89Å; K146-Y161 HydrophobicContact CG-CD2 4.34Å; K146-Y161 HydrophobicContact CG-CE1 4.35Å; K146-Y161 HydrophobicContact CG-CG 3.89Å; K146-Y161 PolarHBondContact NZ-OH 3.47Å; V152-Y161 HydrophobicContact CG1-CD2 4.31Å; V152-Y161 HydrophobicContact CG1-CE2 4.24Å; V152-Y161 HydrophobicContact CG2-CD1 3.72Å; V152-Y161 HydrophobicContact CG2-CE1 3.79Å; V152-Y161 HydrophobicContact CG2-CG 4.09Å; E159-Y161 HydrophobicContact CB-CD2 4.27Å; E159-Y161 HydrophobicContact CB-CE2 3.6Å; E159-Y161 HydrophobicContact CG-CE2 4.49Å; E159-Y161 WeakPolarHBondContact OE2-CE2 3.22Å; E159-Y161 VanDerWaalsContact OE2-CZ 3.25Å; E159-Y161 PolarHBondContact OE2-OH 2.81Å
162	T	97	Very high	95.2	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	170.9	-173.7	64.7	0	0	0	0	113.5	C149 D150 V151 L153 I160 L167 I204	C149-T162 CarbonylContact C-O 3.6Å; C149-T162 VanDerWaalsContact CA-O 3.25Å; C149-T162 WeakPolarHBondContact CA-O 3.47Å; C149-T162 VanDerWaalsContact CB-O 3.3Å; C149-T162 WeakPolarHBondContact CB-O 3.42Å; D150-T162 PolarHBondContact N-O 2.84Å; D150-T162 VanDerWaalsContact N-O 3.11Å; V151-T162 WeakPolarHBondContact CG1-OG1 3.26Å; V151-T162 PolarHBondContact N-O 3.07Å; V151-T162 CarbonylContact O-C 3.58Å; V151-T162 PolarHBondContact O-N 2.73Å; V151-T162 PolarHBondContact O-OG1 2.82Å; V151-T162 VanDerWaalsContact O-OG1 3.05Å; L153-T162 HydrophobicContact CD1-CG2 4.37Å; I160-T162 HydrophobicContact CG2-CG2 3.98Å; T162-L167 HydrophobicContact CG2-CD1 4.28Å; T162-L167 WeakPolarHBondContact OG1-CD1 3.48Å; T162-I204 HydrophobicContact CG2-CG2 3.63Å
163	H	96.5	Very high	95.1	Very high	17 Å²	17	44.3 Å²	44.3	8%	0.079	26%	0.26	C	S	.	.			trans	-105.8	121.8	169.6	-49.1	83.8	0	0	0	110.7	E147 L148 D150 V165 V166 L167 Y208	E147-H163 PolarHBondContact O-NE2 3.08Å; L148-H163 PolarHBondContact O-CD2 2.65Å; L148-H163 VanDerWaalsContact O-CD2 3.28Å; D150-H163 WeakPolarHBondContact OD1-CA 3.35Å; H163-V165 HydrophobicContact CB-CG1 4.29Å; H163-V165 PolarHBondContact O-N 3.23Å; H163-V166 HydrophobicContact CB-CG2 4.19Å; H163-V166 PolarHBondContact O-N 3.23Å; H163-V166 VanDerWaalsContact O-N 3.09Å; H163-L167 PolarHBondContact O-N 3.19Å; H163-Y208 WeakPolarHBondContact CB-OH 3.28Å; H163-Y208 PolarHBondContact N-OH 2.82Å; H163-Y208 AromaticContact ND1-CE1 3.63Å; H163-Y208 AromaticContact ND1-CZ 3.76Å; H163-Y208 PolarHBondContact ND1-OH 2.94Å
164	R	95	Very high	95	Very high	46 Å²	46	44.4 Å²	44.4	17%	0.174	26%	0.26	C	S	.	.	H	α-helix	trans	-50.3	-41.7	177.4	-69.4	162.9	159.5	-116.7	-5.7	112.5	D150 V151 V166 L167 A168 F178 E184 S185 Q187	D150-R164 PolarHBondContact O-NE 3.1Å; D150-R164 WeakPolarHBondContact OD1-CG 3.26Å; D150-R164 PolarHBondContact OD1-N 2.88Å; D150-R164 WeakPolarHBondContact OD2-CD 3.37Å; V151-R164 HydrophobicContact CB-CG 3.75Å; V151-R164 HydrophobicContact CG1-CG 3.55Å; R164-V166 PolarHBondContact O-N 3.34Å; R164-L167 PolarHBondContact O-N 3.11Å; R164-A168 VanDerWaalsContact O-CB 3.26Å; R164-A168 WeakPolarHBondContact O-CB 3.42Å; R164-A168 PolarHBondContact O-N 3.42Å; R164-F178 HydrophobicContact CB-CD2 3.96Å; R164-F178 HydrophobicContact CB-CE2 4.33Å; R164-F178 HydrophobicContact CB-CG 4.19Å; R164-F178 HydrophobicContact CG-CD1 4.15Å; R164-F178 HydrophobicContact CG-CD2 4.14Å; R164-F178 HydrophobicContact CG-CE1 4.26Å; R164-F178 HydrophobicContact CG-CE2 4.24Å; R164-F178 HydrophobicContact CG-CG 4.11Å; R164-F178 HydrophobicContact CG-CZ 4.31Å; R164-E184 PolarHBondContact NH2-O 3.36Å; R164-S185 PolarHBondContact NH1-O 2.78Å; R164-S185 PolarHBondContact NH2-O 2.85Å; R164-S185 VanDerWaalsContact NH2-O 3.12Å; R164-Q187 PolarHBondContact NH2-O 3.16Å
165	V	95.1	Very high	94.9	Very high	104 Å²	104	48.6 Å²	48.6	63%	0.63	27%	0.273	S	S	*	.	H	α-helix	trans	-64.6	-35.2	-178.6	66.2	0	0	0	0	113.2	H163 A169	H163-V165 HydrophobicContact CB-CG1 4.29Å; H163-V165 PolarHBondContact O-N 3.23Å; V165-A169 WeakPolarHBondContact O-CB 3.4Å; V165-A169 PolarHBondContact O-N 2.86Å; V165-A169 VanDerWaalsContact O-N 3.14Å
166	V	96.3	Very high	94.8	Very high	4 Å²	4	51.7 Å²	51.7	2%	0.024	30%	0.299	C	S	.	.	H	α-helix	trans	-72.2	-45.8	176.5	175.3	0	0	0	0	109.7	F136 M139 H163 R164 A168 A169 C170 C207 Y208	F136-V166 HydrophobicContact CE1-CG1 4.21Å; M139-V166 HydrophobicContact CE-CG2 4.22Å; M139-V166 HydrophobicContact SD-CG2 3.86Å; H163-V166 HydrophobicContact CB-CG2 4.19Å; H163-V166 PolarHBondContact O-N 3.23Å; H163-V166 VanDerWaalsContact O-N 3.09Å; R164-V166 PolarHBondContact O-N 3.34Å; V166-A168 PolarHBondContact O-N 2.7Å; V166-A169 PolarHBondContact O-N 3.19Å; V166-A169 VanDerWaalsContact O-N 3.16Å; V166-C170 PolarHBondContact O-N 2.81Å; V166-C170 VanDerWaalsContact O-N 3.09Å; V166-C207 HydrophobicContact CG1-CB 4.35Å; V166-C207 WeakPolarHBondContact CG1-O 3.35Å; V166-Y208 HydrophobicContact CB-CE1 4.19Å; V166-Y208 HydrophobicContact CB-CE2 4.12Å; V166-Y208 HydrophobicContact CG1-CD1 4.32Å; V166-Y208 HydrophobicContact CG1-CD2 3.96Å; V166-Y208 HydrophobicContact CG1-CE1 4Å; V166-Y208 HydrophobicContact CG1-CE2 3.57Å; V166-Y208 HydrophobicContact CG1-CG 4.31Å; V166-Y208 HydrophobicContact CG2-CE1 3.91Å
167	L	96.1	Very high	94.8	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-62.3	-44	178.7	-59.4	-169.9	0	0	0	112.1	V151 L153 T162 H163 R164 A169 C170 S171 F174 F178 I204 Y208	V151-L167 HydrophobicContact CG1-CD1 4.49Å; L153-L167 HydrophobicContact CD1-CD1 3.95Å; L153-L167 HydrophobicContact CD2-CD1 4.44Å; L153-L167 HydrophobicContact CG-CD1 4.45Å; T162-L167 HydrophobicContact CG2-CD1 4.28Å; T162-L167 WeakPolarHBondContact OG1-CD1 3.48Å; H163-L167 PolarHBondContact O-N 3.19Å; R164-L167 PolarHBondContact O-N 3.11Å; L167-A169 VanDerWaalsContact C-N 3.27Å; L167-A169 PolarHBondContact O-N 2.83Å; L167-C170 PolarHBondContact O-N 3.13Å; L167-S171 WeakPolarHBondContact O-CB 3.4Å; L167-S171 PolarHBondContact O-N 2.93Å; L167-F174 HydrophobicContact CB-CB 3.78Å; L167-F174 HydrophobicContact CB-CD2 3.83Å; L167-F174 HydrophobicContact CB-CG 3.84Å; L167-F174 HydrophobicContact CD1-CD1 4.32Å; L167-F174 HydrophobicContact CD1-CD2 4.25Å; L167-F174 HydrophobicContact CD1-CE1 4.36Å; L167-F174 HydrophobicContact CD1-CE2 4.28Å; L167-F174 HydrophobicContact CD1-CG 4.28Å; L167-F174 HydrophobicContact CD1-CZ 4.34Å; L167-F174 HydrophobicContact CG-CD2 4.42Å; L167-F178 HydrophobicContact CB-CE2 3.98Å; L167-F178 HydrophobicContact CD1-CE2 4Å; L167-F178 HydrophobicContact CD1-CZ 4.39Å; L167-I204 HydrophobicContact CD2-CD1 3.8Å; L167-Y208 HydrophobicContact CD2-CE2 4.45Å
168	A	95.4	Very high	94.9	Very high	20 Å²	20	44.4 Å²	44.4	17%	0.165	24%	0.237	C	C	.	.	H	α-helix	trans	-70.8	-17.1	176.7	0	0	0	0	0	114.3	R164 V166 R175	R164-A168 VanDerWaalsContact O-CB 3.26Å; R164-A168 WeakPolarHBondContact O-CB 3.42Å; R164-A168 PolarHBondContact O-N 3.42Å; V166-A168 PolarHBondContact O-N 2.7Å; A168-R175 HydrophobicContact CB-CB 4.09Å; A168-R175 HydrophobicContact CB-CG 4.45Å; A168-R175 WeakPolarHBondContact O-CB 3.2Å
169	A	95.5	Very high	94.8	Very high	75 Å²	75	46 Å²	46	62%	0.62	26%	0.255	S	S	*	.	H	α-helix	trans	-81.2	-39.2	171.4	0	0	0	0	0	111.9	V165 V166 L167	V165-A169 WeakPolarHBondContact O-CB 3.4Å; V165-A169 PolarHBondContact O-N 2.86Å; V165-A169 VanDerWaalsContact O-N 3.14Å; V166-A169 PolarHBondContact O-N 3.19Å; V166-A169 VanDerWaalsContact O-N 3.16Å; L167-A169 VanDerWaalsContact C-N 3.27Å; L167-A169 PolarHBondContact O-N 2.83Å
170	C	94.8	Very high	94.2	Very high	49 Å²	49	41.7 Å²	41.7	33%	0.331	24%	0.242	S	C	.	.	H	α-helix	trans	-86.3	-32.4	-177.4	-63.1	0	0	0	0	114.1	V166 L167 C207 L231	V166-C170 PolarHBondContact O-N 2.81Å; V166-C170 VanDerWaalsContact O-N 3.09Å; L167-C170 PolarHBondContact O-N 3.13Å; C170-C207 HydrophobicContact CB-CB 4.07Å; C170-C207 VanDerWaalsContact CB-SG 3.55Å; C170-L231 HydrophobicContact CB-CD2 4.42Å; C170-L231 WeakPolarHBondContact O-CD2 3.25Å
171	S	96.3	Very high	93.3	Very high	3 Å²	3	50.1 Å²	50.1	2%	0.021	28%	0.282	C	S	.	.			trans	-122.4	129.3	-171.1	163.2	0	0	0	0	112.3	L167 Y173 F174 R175 L229	L167-S171 WeakPolarHBondContact O-CB 3.4Å; L167-S171 PolarHBondContact O-N 2.93Å; S171-Y173 VanDerWaalsContact C-N 3.31Å; S171-Y173 PolarHBondContact O-N 2.84Å; S171-Y173 PolarHBondContact OG-N 2.87Å; S171-F174 PolarHBondContact OG-N 2.77Å; S171-R175 VanDerWaalsContact O-CB 3.29Å; S171-R175 WeakPolarHBondContact O-CB 3.22Å; S171-R175 PolarHBondContact O-N 2.84Å; S171-L229 WeakPolarHBondContact CB-O 3.38Å; S171-L229 PolarHBondContact OG-O 2.83Å
172	A	94.3	Very high	92.2	Very high	31 Å²	31	51.9 Å²	51.9	26%	0.256	30%	0.295	S	S	.	.	H	α-helix	trans	-68	-30.4	173.2	0	0	0	0	0	112.7	A176 Q230	A172-A176 WeakPolarHBondContact O-CB 3.38Å; A172-A176 PolarHBondContact O-N 2.9Å; A172-Q230 HydrophobicContact CB-CB 4.14Å; A172-Q230 VanDerWaalsContact CB-OE1 3.24Å
173	Y	94	Very high	91.1	Very high	68 Å²	68	54.8 Å²	54.8	27%	0.267	32%	0.319	S	S	.	.	H	α-helix	trans	-64.9	-55.5	174.2	173.5	-90	0	0	0	111.3	S171 R175 A176 M177 L192 L228 L229	S171-Y173 VanDerWaalsContact C-N 3.31Å; S171-Y173 PolarHBondContact O-N 2.84Å; S171-Y173 PolarHBondContact OG-N 2.87Å; Y173-R175 VanDerWaalsContact C-N 3.27Å; Y173-R175 PolarHBondContact O-N 3.46Å; Y173-A176 PolarHBondContact O-N 2.76Å; Y173-M177 HydrophobicContact CE1-CE 3.53Å; Y173-M177 PolarHBondContact O-N 3.3Å; Y173-M177 WeakPolarHBondContact OH-CE 3.45Å; Y173-L192 HydrophobicContact CE1-CD2 4.27Å; Y173-L228 WeakPolarHBondContact CD2-O 3.25Å; Y173-L229 HydrophobicContact CD1-CD2 3.63Å; Y173-L229 HydrophobicContact CE1-CD2 3.71Å; Y173-L229 HydrophobicContact CG-CD2 4.38Å
174	F	94.8	Very high	89.9	Confident	1 Å²	1	57.3 Å²	57.3	0%	0.004	33%	0.331	C	S	.	.	H	α-helix	trans	-65	-32.1	178.7	-73.5	-55.4	0	0	0	112.2	L153 L167 S171 M177 F178 L192 I204 L229	L153-F174 HydrophobicContact CD1-CE1 4.18Å; L153-F174 HydrophobicContact CD1-CZ 3.79Å; L153-F174 HydrophobicContact CD2-CE1 3.96Å; L153-F174 HydrophobicContact CD2-CZ 4.41Å; L167-F174 HydrophobicContact CB-CB 3.78Å; L167-F174 HydrophobicContact CB-CD2 3.83Å; L167-F174 HydrophobicContact CB-CG 3.84Å; L167-F174 HydrophobicContact CD1-CD1 4.32Å; L167-F174 HydrophobicContact CD1-CD2 4.25Å; L167-F174 HydrophobicContact CD1-CE1 4.36Å; L167-F174 HydrophobicContact CD1-CE2 4.28Å; L167-F174 HydrophobicContact CD1-CG 4.28Å; L167-F174 HydrophobicContact CD1-CZ 4.34Å; L167-F174 HydrophobicContact CG-CD2 4.42Å; S171-F174 PolarHBondContact OG-N 2.77Å; F174-M177 HydrophobicContact CD1-SD 4.11Å; F174-M177 HydrophobicContact CE1-SD 4.5Å; F174-M177 PolarHBondContact O-N 2.86Å; F174-F178 HydrophobicContact CB-CD2 4.08Å; F174-F178 HydrophobicContact CB-CE2 3.82Å; F174-F178 AromaticContact CD1-CE2 3.79Å; F174-F178 HydrophobicContact CD1-CE2 3.79Å; F174-F178 AromaticContact CD1-CZ 3.94Å; F174-F178 HydrophobicContact CD1-CZ 3.94Å; F174-F178 HydrophobicContact CG-CE2 4.09Å; F174-F178 WeakPolarHBondContact O-CB 3.44Å; F174-F178 WeakPolarHBondContact O-CD2 3.42Å; F174-F178 WeakPolarHBondContact O-CG 3.13Å; F174-F178 PolarHBondContact O-N 3.04Å; F174-L192 HydrophobicContact CE1-CD1 4.46Å; F174-L192 HydrophobicContact CE1-CD2 4.4Å; F174-L192 HydrophobicContact CZ-CD1 4.14Å; F174-I204 HydrophobicContact CE2-CD1 4.12Å; F174-I204 HydrophobicContact CZ-CD1 4.45Å; F174-L229 HydrophobicContact CE1-CD2 4.37Å; F174-L229 HydrophobicContact CE2-CD1 4.12Å; F174-L229 HydrophobicContact CE2-CD2 3.92Å; F174-L229 HydrophobicContact CE2-CG 4.44Å; F174-L229 HydrophobicContact CZ-CD1 4.3Å; F174-L229 HydrophobicContact CZ-CD2 3.71Å
175	R	94.1	Very high	89	Confident	135 Å²	135	55.9 Å²	55.9	51%	0.509	33%	0.328	S	S	.	.	H	α-helix	trans	-59.7	-52.8	170.7	-174	173.4	59.6	-166.7	-4.8	111.6	A168 S171 Y173 M177 F178 T179	A168-R175 HydrophobicContact CB-CB 4.09Å; A168-R175 HydrophobicContact CB-CG 4.45Å; A168-R175 WeakPolarHBondContact O-CB 3.2Å; S171-R175 VanDerWaalsContact O-CB 3.29Å; S171-R175 WeakPolarHBondContact O-CB 3.22Å; S171-R175 PolarHBondContact O-N 2.84Å; Y173-R175 VanDerWaalsContact C-N 3.27Å; Y173-R175 PolarHBondContact O-N 3.46Å; R175-M177 VanDerWaalsContact C-N 3.28Å; R175-M177 PolarHBondContact O-N 3.33Å; R175-F178 PolarHBondContact O-N 2.78Å; R175-T179 HydrophobicContact CG-CG2 4.43Å; R175-T179 PolarHBondContact O-N 3.28Å; R175-T179 PolarHBondContact O-OG1 2.74Å
176	A	92.1	Very high	88.3	Confident	67 Å²	67	60.7 Å²	60.7	55%	0.554	34%	0.335	S	S	*	.	H	α-helix	trans	-60.9	-36.6	179.2	0	0	0	0	0	112.7	A172 Y173 G180	A172-A176 WeakPolarHBondContact O-CB 3.38Å; A172-A176 PolarHBondContact O-N 2.9Å; Y173-A176 PolarHBondContact O-N 2.76Å; A176-G180 PolarHBondContact O-N 2.88Å
177	M	92	Very high	87.8	Confident	27 Å²	27	64.3 Å²	64.3	13%	0.133	35%	0.352	C	S	.	.	H	α-helix	trans	-65.9	-51	175.2	179.8	-175.5	-80.5	0	0	112.6	Y173 F174 R175 E184 V190	Y173-M177 HydrophobicContact CE1-CE 3.53Å; Y173-M177 PolarHBondContact O-N 3.3Å; Y173-M177 WeakPolarHBondContact OH-CE 3.45Å; F174-M177 HydrophobicContact CD1-SD 4.11Å; F174-M177 HydrophobicContact CE1-SD 4.5Å; F174-M177 PolarHBondContact O-N 2.86Å; R175-M177 VanDerWaalsContact C-N 3.28Å; R175-M177 PolarHBondContact O-N 3.33Å; M177-E184 HydrophobicContact CG-CB 3.8Å; M177-V190 HydrophobicContact CE-CG1 4.02Å; M177-V190 HydrophobicContact SD-CG1 3.76Å
178	F	92.5	Very high	87.5	Confident	21 Å²	21	69.1 Å²	69.1	9%	0.092	38%	0.381	C	S	.	.	H	α-helix	trans	-84.8	-20.3	-172.9	-59.3	-42.3	0	0	0	114.5	V151 R164 L167 F174 R175 V190	V151-F178 HydrophobicContact CG1-CE1 4.41Å; V151-F178 HydrophobicContact CG1-CE2 4.44Å; V151-F178 HydrophobicContact CG1-CZ 3.89Å; V151-F178 HydrophobicContact CG2-CE1 4.19Å; V151-F178 HydrophobicContact CG2-CZ 4.31Å; R164-F178 HydrophobicContact CB-CD2 3.96Å; R164-F178 HydrophobicContact CB-CE2 4.33Å; R164-F178 HydrophobicContact CB-CG 4.19Å; R164-F178 HydrophobicContact CG-CD1 4.15Å; R164-F178 HydrophobicContact CG-CD2 4.14Å; R164-F178 HydrophobicContact CG-CE1 4.26Å; R164-F178 HydrophobicContact CG-CE2 4.24Å; R164-F178 HydrophobicContact CG-CG 4.11Å; R164-F178 HydrophobicContact CG-CZ 4.31Å; L167-F178 HydrophobicContact CB-CE2 3.98Å; L167-F178 HydrophobicContact CD1-CE2 4Å; L167-F178 HydrophobicContact CD1-CZ 4.39Å; F174-F178 HydrophobicContact CB-CD2 4.08Å; F174-F178 HydrophobicContact CB-CE2 3.82Å; F174-F178 AromaticContact CD1-CE2 3.79Å; F174-F178 HydrophobicContact CD1-CE2 3.79Å; F174-F178 AromaticContact CD1-CZ 3.94Å; F174-F178 HydrophobicContact CD1-CZ 3.94Å; F174-F178 HydrophobicContact CG-CE2 4.09Å; F174-F178 WeakPolarHBondContact O-CB 3.44Å; F174-F178 WeakPolarHBondContact O-CD2 3.42Å; F174-F178 WeakPolarHBondContact O-CG 3.13Å; F174-F178 PolarHBondContact O-N 3.04Å; R175-F178 PolarHBondContact O-N 2.78Å; F178-V190 HydrophobicContact CE1-CG2 4.4Å
179	T	89.6	Confident	87.4	Confident	108 Å²	108	73.7 Å²	73.7	66%	0.663	40%	0.399	S	S	*	.	S	Bend	trans	-103	4.2	173.1	77.1	0	0	0	0	113.8	R175	R175-T179 HydrophobicContact CG-CG2 4.43Å; R175-T179 PolarHBondContact O-N 3.28Å; R175-T179 PolarHBondContact O-OG1 2.74Å
180	G	82.6	Confident	87.3	Confident	27 Å²	27	70.3 Å²	70.3	28%	0.278	37%	0.37	S	S	.	.	S	Bend	trans	-81.6	171.3	172.9	0	0	0	0	0	112.9	A176 S185	A176-G180 PolarHBondContact O-N 2.88Å; G180-S185 WeakPolarHBondContact O-CB 3.42Å; G180-S185 PolarHBondContact O-OG 3.27Å
181	E	77.7	Confident	87.2	Confident	185 Å²	185	70.8 Å²	70.8	86%	0.864	37%	0.372	S	S	*	.	S	Bend	trans	-91.9	4.3	176.4	-59.5	-168.2	148.8	0	0	113.8
182	L	75.3	Confident	87.1	Confident	102 Å²	102	71.1 Å²	71.1	53%	0.534	37%	0.373	S	S	.	.	S	Bend	trans	-74.6	170.4	-177.4	-55.1	176.9	0	0	0	112.1	E184 S185	L182-E184 VanDerWaalsContact C-N 3.29Å; L182-E184 WeakPolarHBondContact CB-OE2 3.49Å; L182-E184 PolarHBondContact O-N 3.08Å; L182-S185 WeakPolarHBondContact O-CB 3.39Å; L182-S185 PolarHBondContact O-N 3.23Å; L182-S185 PolarHBondContact O-OG 2.74Å
183	A	72.5	Confident	86.9	Confident	61 Å²	61	77.4 Å²	77.4	50%	0.504	39%	0.392	S	S	.	.	G	3₁₀ helix	trans	-63	-35.8	-171.7	0	0	0	0	0	113	S185 R186 Q187	A183-S185 PolarHBondContact O-N 2.93Å; A183-R186 PolarHBondContact O-N 2.84Å; A183-Q187 PolarHBondContact O-N 2.8Å
184	E	72	Confident	86.7	Confident	69 Å²	69	80.3 Å²	80.3	32%	0.322	41%	0.412	S	S	.	.	G	3₁₀ helix	trans	-57.5	-33.9	178.7	-57.3	73.7	-165.2	0	0	111.3	R164 M177 L182 R186 Q187	R164-E184 PolarHBondContact NH2-O 3.36Å; M177-E184 HydrophobicContact CG-CB 3.8Å; L182-E184 VanDerWaalsContact C-N 3.29Å; L182-E184 WeakPolarHBondContact CB-OE2 3.49Å; L182-E184 PolarHBondContact O-N 3.08Å; E184-R186 PolarHBondContact O-N 2.8Å; E184-Q187 PolarHBondContact O-N 2.99Å
185	S	75.6	Confident	86.6	Confident	16 Å²	16	81.3 Å²	81.3	11%	0.112	42%	0.417	C	S	.	.	G	3₁₀ helix	trans	-58.8	-18.4	174.3	75	0	0	0	0	113.3	R164 G180 L182 A183	R164-S185 PolarHBondContact NH1-O 2.78Å; R164-S185 PolarHBondContact NH2-O 2.85Å; R164-S185 VanDerWaalsContact NH2-O 3.12Å; G180-S185 WeakPolarHBondContact O-CB 3.42Å; G180-S185 PolarHBondContact O-OG 3.27Å; L182-S185 WeakPolarHBondContact O-CB 3.39Å; L182-S185 PolarHBondContact O-N 3.23Å; L182-S185 PolarHBondContact O-OG 2.74Å; A183-S185 PolarHBondContact O-N 2.93Å
186	R	80.3	Confident	86.7	Confident	206 Å²	206	77 Å²	77	78%	0.777	40%	0.404	S	S	*	.	G	3₁₀ helix	trans	-118.5	-2.1	-178.2	-53.5	-175.4	-169.7	178.4	3.4	114.1	A183 E184	A183-R186 PolarHBondContact O-N 2.84Å; E184-R186 PolarHBondContact O-N 2.8Å
187	Q	85.8	Confident	86.8	Confident	80 Å²	80	73.8 Å²	73.8	37%	0.374	38%	0.378	S	S	.	.			trans	-81.2	137.6	178.4	-75.2	169.6	-17.1	0	0	111.6	R164 A183 E184 E189 V190	R164-Q187 PolarHBondContact NH2-O 3.16Å; A183-Q187 PolarHBondContact O-N 2.8Å; E184-Q187 PolarHBondContact O-N 2.99Å; Q187-E189 WeakPolarHBondContact CB-O 3.42Å; Q187-V190 HydrophobicContact CB-CG2 4.15Å
188	T	89.7	Confident	87	Confident	100 Å²	100	76.7 Å²	76.7	61%	0.613	39%	0.394	S	S	*	.	S	Bend	trans	-81	-21.6	171.1	47.1	0	0	0	0	112.5	V151 V152	V151-T188 CarbonylContact C-O 3.53Å; V151-T188 WeakPolarHBondContact CA-O 3.46Å; V152-T188 PolarHBondContact N-O 3.25Å
189	E	93.8	Very high	87.2	Confident	116 Å²	116	75.9 Å²	75.9	54%	0.542	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	125.5	179.4	-72.3	161.3	-148.4	0	0	108.3	V152 L154 Q187	V152-E189 HydrophobicContact CB-CG 4.31Å; V152-E189 CarbonylContact O-C 3.55Å; V152-E189 WeakPolarHBondContact O-CA 2.91Å; L154-E189 HydrophobicContact CD1-CB 4.19Å; Q187-E189 WeakPolarHBondContact CB-O 3.42Å
190	V	92.7	Very high	87.6	Confident	4 Å²	4	70.8 Å²	70.8	2%	0.024	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	117.5	-177.1	174.9	0	0	0	0	109.7	V151 V152 L153 L154 M177 F178 Q187	V151-V190 HydrophobicContact CG2-CB 4.35Å; V151-V190 HydrophobicContact CG2-CG2 3.82Å; V152-V190 PolarHBondContact O-N 2.85Å; L153-V190 CarbonylContact C-O 3.59Å; L153-V190 WeakPolarHBondContact CA-O 3.42Å; L153-V190 HydrophobicContact CD2-CB 4.28Å; L154-V190 PolarHBondContact N-O 2.82Å; M177-V190 HydrophobicContact CE-CG1 4.02Å; M177-V190 HydrophobicContact SD-CG1 3.76Å; F178-V190 HydrophobicContact CE1-CG2 4.4Å; Q187-V190 HydrophobicContact CB-CG2 4.15Å
191	T	93.7	Very high	88.2	Confident	60 Å²	60	72.8 Å²	72.8	37%	0.368	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	125.8	178.8	-48.2	0	0	0	0	111.5	L154 Y193	L154-T191 HydrophobicContact CB-CG2 4.45Å; L154-T191 CarbonylContact O-C 3.5Å; L154-T191 WeakPolarHBondContact O-CA 3.35Å; T191-Y193 HydrophobicContact CG2-CD1 4.19Å; T191-Y193 HydrophobicContact CG2-CD2 4.28Å; T191-Y193 HydrophobicContact CG2-CE1 3.72Å; T191-Y193 HydrophobicContact CG2-CE2 3.81Å; T191-Y193 HydrophobicContact CG2-CG 4.46Å
192	L	93.1	Very high	89.2	Confident	9 Å²	9	66.4 Å²	66.4	5%	0.047	34%	0.335	C	S	.	.	P	Polyproline II helix	trans	-99.7	119.6	168.9	-58.6	178.4	0	0	0	108.3	L153 L154 V155 Y173 F174 L195 V200	L153-L192 HydrophobicContact CB-CD1 4.46Å; L153-L192 HydrophobicContact CD1-CD1 4.22Å; L154-L192 PolarHBondContact O-N 2.79Å; V155-L192 HydrophobicContact CB-CB 4.27Å; V155-L192 HydrophobicContact CG2-CB 4.37Å; Y173-L192 HydrophobicContact CE1-CD2 4.27Å; F174-L192 HydrophobicContact CE1-CD1 4.46Å; F174-L192 HydrophobicContact CE1-CD2 4.4Å; F174-L192 HydrophobicContact CZ-CD1 4.14Å; L192-L195 HydrophobicContact CB-CD1 4.45Å; L192-V200 HydrophobicContact CD1-CG1 4.1Å
193	Y	91.8	Very high	90.2	Very high	164 Å²	164	61.5 Å²	61.5	64%	0.643	31%	0.31	S	S	*	.	P	Polyproline II helix	trans	-94.1	152.3	179.9	-60.9	-85.3	0	0	0	110.7	T191 L195	T191-Y193 HydrophobicContact CG2-CD1 4.19Å; T191-Y193 HydrophobicContact CG2-CD2 4.28Å; T191-Y193 HydrophobicContact CG2-CE1 3.72Å; T191-Y193 HydrophobicContact CG2-CE2 3.81Å; T191-Y193 HydrophobicContact CG2-CG 4.46Å; Y193-L195 PolarHBondContact O-N 3.17Å; Y193-L195 VanDerWaalsContact O-N 3.1Å
194	D	88.1	Confident	91.4	Very high	129 Å²	129	58.7 Å²	58.7	69%	0.69	29%	0.286	S	S	*	.	S	Bend	trans	56	29.6	171	-50.6	-79.5	0	0	0	114.7	M69	M69-D194 WeakPolarHBondContact CE-OD2 3.44Å
195	L	93.8	Very high	92.6	Very high	21 Å²	21	57.4 Å²	57.4	11%	0.11	28%	0.282	C	S	.	.			trans	-121.9	142.4	172.1	-70	-175.1	0	0	0	111.2	V155 L192 Y193 V200 A225 L228 L229	V155-L195 HydrophobicContact CG2-CB 4.07Å; V155-L195 WeakPolarHBondContact CG2-O 3.4Å; L192-L195 HydrophobicContact CB-CD1 4.45Å; Y193-L195 PolarHBondContact O-N 3.17Å; Y193-L195 VanDerWaalsContact O-N 3.1Å; L195-V200 HydrophobicContact CB-CG2 3.75Å; L195-V200 HydrophobicContact CD1-CG2 3.66Å; L195-V200 HydrophobicContact CG-CG2 4.3Å; L195-A225 HydrophobicContact CD2-CB 3.94Å; L195-L228 HydrophobicContact CD1-CD2 4.13Å; L195-L228 HydrophobicContact CD2-CB 4.48Å; L195-L228 HydrophobicContact CD2-CD2 3.89Å; L195-L228 HydrophobicContact CG-CD2 4.03Å; L195-L229 HydrophobicContact CD1-CD1 4.43Å; L195-L229 HydrophobicContact CD1-CD2 4.27Å; L195-L229 HydrophobicContact CD1-CG 4.27Å
196	D	95.2	Very high	93.6	Very high	45 Å²	45	58 Å²	58	24%	0.241	28%	0.282	C	S	.	.			trans	-69.7	135.5	173.4	169.4	52.5	0	0	0	112	A199 V200 N221	D196-A199 HydrophobicContact CB-CB 4.03Å; D196-A199 VanDerWaalsContact OD2-CB 3.29Å; D196-A199 WeakPolarHBondContact OD2-CB 3.36Å; D196-A199 PolarHBondContact OD2-N 3.46Å; D196-V200 WeakPolarHBondContact O-CG2 3.24Å; D196-V200 PolarHBondContact O-N 3.39Å; D196-N221 HydrophobicContact CB-CB 3.87Å; D196-N221 WeakPolarHBondContact OD2-CB 3.42Å; D196-N221 PolarHBondContact OD2-ND2 2.8Å
197	G	95.6	Very high	94.3	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-66.4	-39.8	-176.2	0	0	0	0	0	113.6	E201	G197-E201 WeakPolarHBondContact O-CB 3.2Å; G197-E201 PolarHBondContact O-N 3.38Å
198	D	95.9	Very high	94.9	Very high	87 Å²	87	44.7 Å²	44.7	47%	0.465	23%	0.229	S	C	.	.	H	α-helix	trans	-71.6	-41.5	179	-76	-55.4	0	0	0	111.8	R158 E201 T202	R158-D198 IonicContact CZ-OD1 3.36Å; R158-D198 IonicContact CZ-OD2 3.64Å; R158-D198 IonicContact NH1-OD1 2.71Å; R158-D198 PolarHBondContact NH1-OD1 2.81Å; R158-D198 IonicContact NH1-OD2 3.77Å; R158-D198 IonicContact NH2-OD1 3.17Å; R158-D198 PolarHBondContact NH2-OD1 2.77Å; R158-D198 IonicContact NH2-OD2 2.71Å; R158-D198 PolarHBondContact NH2-OD2 3.05Å; D198-E201 PolarHBondContact O-N 2.84Å; D198-T202 VanDerWaalsContact O-CB 3.29Å; D198-T202 WeakPolarHBondContact O-CB 3.29Å; D198-T202 PolarHBondContact O-N 2.78Å; D198-T202 PolarHBondContact O-OG1 2.91Å
199	A	97	Very high	95.1	Very high	5 Å²	5	42.2 Å²	42.2	4%	0.041	21%	0.214	C	C	.	.	H	α-helix	trans	-60.8	-45.4	173.5	0	0	0	0	0	112.4	D196 T202 L203 N221 L222 A225	D196-A199 HydrophobicContact CB-CB 4.03Å; D196-A199 VanDerWaalsContact OD2-CB 3.29Å; D196-A199 WeakPolarHBondContact OD2-CB 3.36Å; D196-A199 PolarHBondContact OD2-N 3.46Å; A199-T202 PolarHBondContact O-N 2.68Å; A199-L203 VanDerWaalsContact O-CG 3.3Å; A199-L203 WeakPolarHBondContact O-CG 3.38Å; A199-L203 PolarHBondContact O-N 2.92Å; A199-N221 HydrophobicContact CB-CB 3.84Å; A199-N221 WeakPolarHBondContact CB-O 3.4Å; A199-L222 HydrophobicContact CB-CD1 4.41Å; A199-A225 HydrophobicContact CB-CB 4.13Å
200	V	97.2	Very high	95.1	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-66.3	-45.5	177	173.8	0	0	0	0	111	V155 I160 L192 L195 D196 T202 L203 I204 A225 L229	V155-V200 HydrophobicContact CG1-CB 4.16Å; V155-V200 HydrophobicContact CG1-CG1 4.05Å; V155-V200 HydrophobicContact CG2-CB 4.28Å; V155-V200 HydrophobicContact CG2-CG2 4.08Å; I160-V200 HydrophobicContact CD1-CG1 4.03Å; L192-V200 HydrophobicContact CD1-CG1 4.1Å; L195-V200 HydrophobicContact CB-CG2 3.75Å; L195-V200 HydrophobicContact CD1-CG2 3.66Å; L195-V200 HydrophobicContact CG-CG2 4.3Å; D196-V200 WeakPolarHBondContact O-CG2 3.24Å; D196-V200 PolarHBondContact O-N 3.39Å; V200-T202 VanDerWaalsContact C-N 3.25Å; V200-T202 PolarHBondContact O-N 3.31Å; V200-L203 PolarHBondContact O-N 3.03Å; V200-L203 VanDerWaalsContact O-N 3.11Å; V200-I204 HydrophobicContact CG1-CD1 4.49Å; V200-I204 HydrophobicContact CG1-CG1 4.17Å; V200-I204 VanDerWaalsContact O-CG1 3.32Å; V200-I204 WeakPolarHBondContact O-CG1 3.48Å; V200-I204 PolarHBondContact O-N 2.67Å; V200-A225 HydrophobicContact CG2-CB 4.47Å; V200-L229 HydrophobicContact CG2-CD1 4.41Å
201	E	96.3	Very high	95.2	Very high	70 Å²	70	48 Å²	48	33%	0.327	25%	0.251	S	S	.	.	H	α-helix	trans	-59.2	-37.7	176.7	-171.2	164.9	-172.9	0	0	112	R158 I160 G197 D198 I204 D205	R158-E201 IonicContact NH1-OE2 3.45Å; R158-E201 PolarHBondContact NH1-OE2 3.14Å; I160-E201 HydrophobicContact CD1-CB 3.9Å; I160-E201 HydrophobicContact CD1-CG 4.46Å; G197-E201 WeakPolarHBondContact O-CB 3.2Å; G197-E201 PolarHBondContact O-N 3.38Å; D198-E201 PolarHBondContact O-N 2.84Å; E201-I204 PolarHBondContact O-N 2.99Å; E201-D205 WeakPolarHBondContact O-CB 3.32Å; E201-D205 PolarHBondContact O-N 3.4Å
202	T	97	Very high	95.4	Very high	50 Å²	50	47.3 Å²	47.3	31%	0.307	25%	0.245	S	C	.	.	H	α-helix	trans	-63.4	-43.9	173.5	-59.6	0	0	0	0	112.5	D198 A199 V200 D205 F206 I212 L222	D198-T202 VanDerWaalsContact O-CB 3.29Å; D198-T202 WeakPolarHBondContact O-CB 3.29Å; D198-T202 PolarHBondContact O-N 2.78Å; D198-T202 PolarHBondContact O-OG1 2.91Å; A199-T202 PolarHBondContact O-N 2.68Å; V200-T202 VanDerWaalsContact C-N 3.25Å; V200-T202 PolarHBondContact O-N 3.31Å; T202-D205 PolarHBondContact O-N 3.03Å; T202-F206 PolarHBondContact O-N 2.88Å; T202-I212 HydrophobicContact CG2-CD1 4.18Å; T202-I212 HydrophobicContact CG2-CG1 3.93Å; T202-L222 HydrophobicContact CG2-CD1 4.11Å
203	L	97.7	Very high	95.5	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-68.7	-35.4	176.9	-68.1	170.4	0	0	0	112.4	A199 V200 F206 C207 I212 L222 A225 A226 L229 L231 I234	A199-L203 VanDerWaalsContact O-CG 3.3Å; A199-L203 WeakPolarHBondContact O-CG 3.38Å; A199-L203 PolarHBondContact O-N 2.92Å; V200-L203 PolarHBondContact O-N 3.03Å; V200-L203 VanDerWaalsContact O-N 3.11Å; L203-F206 PolarHBondContact O-N 2.83Å; L203-C207 PolarHBondContact O-N 3.48Å; L203-C207 VanDerWaalsContact O-N 3.15Å; L203-C207 PolarHBondContact O-SG 2.78Å; L203-I212 HydrophobicContact CD2-CD1 4.13Å; L203-L222 HydrophobicContact CD1-CD1 4.26Å; L203-L222 HydrophobicContact CD2-CD1 3.71Å; L203-L222 HydrophobicContact CG-CD1 3.7Å; L203-A225 HydrophobicContact CD1-CB 3.49Å; L203-A225 VanDerWaalsContact CD1-CB 3.49Å; L203-A226 HydrophobicContact CD1-CB 4.38Å; L203-A226 HydrophobicContact CD2-CB 4.19Å; L203-L229 HydrophobicContact CD1-CD1 4.13Å; L203-L231 HydrophobicContact CB-CD1 3.9Å; L203-L231 HydrophobicContact CD1-CD1 4.29Å; L203-L231 HydrophobicContact CD2-CD1 3.86Å; L203-L231 HydrophobicContact CG-CD1 4.22Å; L203-I234 HydrophobicContact CD2-CB 4.21Å; L203-I234 HydrophobicContact CD2-CG1 4.14Å; L203-I234 HydrophobicContact CD2-CG2 3.74Å
204	I	96.9	Very high	95.8	Very high	1 Å²	1	44.4 Å²	44.4	1%	0.005	25%	0.245	C	C	.	.	H	α-helix	trans	-66.5	-45.6	171.4	-58.9	-39.7	0	0	0	109.9	L153 I160 T162 L167 F174 V200 E201 F206 C207 Y208	L153-I204 HydrophobicContact CD1-CD1 3.85Å; L153-I204 HydrophobicContact CD1-CG1 4.13Å; I160-I204 HydrophobicContact CG2-CB 4.41Å; I160-I204 HydrophobicContact CG2-CG1 4.25Å; I160-I204 HydrophobicContact CG2-CG2 4.16Å; T162-I204 HydrophobicContact CG2-CG2 3.63Å; L167-I204 HydrophobicContact CD2-CD1 3.8Å; F174-I204 HydrophobicContact CE2-CD1 4.12Å; F174-I204 HydrophobicContact CZ-CD1 4.45Å; V200-I204 HydrophobicContact CG1-CD1 4.49Å; V200-I204 HydrophobicContact CG1-CG1 4.17Å; V200-I204 VanDerWaalsContact O-CG1 3.32Å; V200-I204 WeakPolarHBondContact O-CG1 3.48Å; V200-I204 PolarHBondContact O-N 2.67Å; E201-I204 PolarHBondContact O-N 2.99Å; I204-F206 VanDerWaalsContact C-N 3.29Å; I204-F206 PolarHBondContact O-N 2.81Å; I204-C207 WeakPolarHBondContact O-CB 3.45Å; I204-C207 PolarHBondContact O-N 2.87Å; I204-Y208 HydrophobicContact CG2-CD2 4.27Å; I204-Y208 HydrophobicContact CG2-CE2 4.12Å; I204-Y208 WeakPolarHBondContact O-CD2 3.46Å; I204-Y208 PolarHBondContact O-N 3.26Å
205	D	96.5	Very high	96.1	Very high	43 Å²	43	43 Å²	43	23%	0.23	23%	0.234	C	C	.	.	H	α-helix	trans	-61.9	-35.3	177.3	-88.6	37.6	0	0	0	112.1	R143 K144 E201 T202 C207 Y208 T209	R143-D205 IonicContact CZ-OD1 2.75Å; R143-D205 IonicContact NH1-OD1 2.62Å; R143-D205 PolarHBondContact NH1-OD1 3.2Å; R143-D205 VanDerWaalsContact NH2-CG 3.3Å; R143-D205 IonicContact NH2-OD1 3.16Å; R143-D205 PolarHBondContact NH2-OD1 3.1Å; R143-D205 IonicContact NH2-OD2 2.71Å; K144-D205 WeakPolarHBondContact CE-OD2 3.44Å; K144-D205 VanDerWaalsContact NZ-CG 3.26Å; K144-D205 IonicContact NZ-OD1 2.7Å; K144-D205 PolarHBondContact NZ-OD1 3.17Å; K144-D205 IonicContact NZ-OD2 2.9Å; K144-D205 PolarHBondContact NZ-OD2 2.86Å; E201-D205 WeakPolarHBondContact O-CB 3.32Å; E201-D205 PolarHBondContact O-N 3.4Å; T202-D205 PolarHBondContact O-N 3.03Å; D205-C207 PolarHBondContact O-N 3.48Å; D205-Y208 PolarHBondContact O-N 2.75Å; D205-T209 WeakPolarHBondContact O-CB 3.41Å; D205-T209 WeakPolarHBondContact O-CG2 3.29Å; D205-T209 PolarHBondContact O-N 2.83Å; D205-T209 PolarHBondContact O-OG1 3.48Å
206	F	96.9	Very high	96.1	Very high	28 Å²	28	49.6 Å²	49.6	12%	0.123	26%	0.264	C	S	.	.	H	α-helix	trans	-58.4	-45	168.9	170.7	-102.3	0	0	0	112.4	T202 L203 I204 Y208 T209 S210 I212 I234	T202-F206 PolarHBondContact O-N 2.88Å; L203-F206 PolarHBondContact O-N 2.83Å; I204-F206 VanDerWaalsContact C-N 3.29Å; I204-F206 PolarHBondContact O-N 2.81Å; F206-Y208 PolarHBondContact O-N 2.87Å; F206-T209 PolarHBondContact O-N 2.77Å; F206-T209 VanDerWaalsContact O-N 3.16Å; F206-S210 WeakPolarHBondContact O-CA 3.46Å; F206-S210 PolarHBondContact O-N 2.8Å; F206-I212 HydrophobicContact CB-CB 4.41Å; F206-I212 HydrophobicContact CB-CD1 4.29Å; F206-I212 HydrophobicContact CD2-CB 4.03Å; F206-I212 HydrophobicContact CD2-CG2 4.27Å; F206-I234 HydrophobicContact CD1-CD1 3.87Å; F206-I234 HydrophobicContact CD1-CG1 3.95Å; F206-I234 HydrophobicContact CD2-CD1 3.94Å; F206-I234 HydrophobicContact CE1-CD1 3.66Å; F206-I234 HydrophobicContact CE1-CG1 3.88Å; F206-I234 HydrophobicContact CE2-CD1 3.73Å; F206-I234 HydrophobicContact CG-CD1 4.02Å; F206-I234 HydrophobicContact CG-CG1 4.43Å; F206-I234 HydrophobicContact CZ-CD1 3.58Å; F206-I234 HydrophobicContact CZ-CG1 4.31Å
207	C	96.5	Very high	96.1	Very high	4 Å²	4	52.7 Å²	52.7	3%	0.027	29%	0.288	C	S	.	.	H	α-helix	trans	-60.9	-16.4	179	-64.3	0	0	0	0	114.1	V166 C170 L203 I204 D205	V166-C207 HydrophobicContact CG1-CB 4.35Å; V166-C207 WeakPolarHBondContact CG1-O 3.35Å; C170-C207 HydrophobicContact CB-CB 4.07Å; C170-C207 VanDerWaalsContact CB-SG 3.55Å; L203-C207 PolarHBondContact O-N 3.48Å; L203-C207 VanDerWaalsContact O-N 3.15Å; L203-C207 PolarHBondContact O-SG 2.78Å; I204-C207 WeakPolarHBondContact O-CB 3.45Å; I204-C207 PolarHBondContact O-N 2.87Å; D205-C207 PolarHBondContact O-N 3.48Å
208	Y	96.6	Very high	96.1	Very high	2 Å²	2	54.4 Å²	54.4	1%	0.008	30%	0.297	C	S	.	.	H	α-helix	trans	-110.3	-13.2	177.7	-75.3	-99.7	0	0	0	114.5	M139 N140 R143 H163 V166 L167 I204 D205 F206	M139-Y208 HydrophobicContact CB-CD1 4.22Å; M139-Y208 HydrophobicContact CB-CE1 4.15Å; N140-Y208 HydrophobicContact CB-CD1 4.16Å; N140-Y208 HydrophobicContact CB-CG 4.47Å; N140-Y208 WeakPolarHBondContact OD1-CB 3.26Å; R143-Y208 HydrophobicContact CB-CD1 4.41Å; R143-Y208 HydrophobicContact CB-CE1 4.03Å; R143-Y208 HydrophobicContact CG-CE1 4.48Å; H163-Y208 WeakPolarHBondContact CB-OH 3.28Å; H163-Y208 PolarHBondContact N-OH 2.82Å; H163-Y208 AromaticContact ND1-CE1 3.63Å; H163-Y208 AromaticContact ND1-CZ 3.76Å; H163-Y208 PolarHBondContact ND1-OH 2.94Å; V166-Y208 HydrophobicContact CB-CE1 4.19Å; V166-Y208 HydrophobicContact CB-CE2 4.12Å; V166-Y208 HydrophobicContact CG1-CD1 4.32Å; V166-Y208 HydrophobicContact CG1-CD2 3.96Å; V166-Y208 HydrophobicContact CG1-CE1 4Å; V166-Y208 HydrophobicContact CG1-CE2 3.57Å; V166-Y208 HydrophobicContact CG1-CG 4.31Å; V166-Y208 HydrophobicContact CG2-CE1 3.91Å; L167-Y208 HydrophobicContact CD2-CE2 4.45Å; I204-Y208 HydrophobicContact CG2-CD2 4.27Å; I204-Y208 HydrophobicContact CG2-CE2 4.12Å; I204-Y208 WeakPolarHBondContact O-CD2 3.46Å; I204-Y208 PolarHBondContact O-N 3.26Å; D205-Y208 PolarHBondContact O-N 2.75Å; F206-Y208 PolarHBondContact O-N 2.87Å
209	T	95.1	Very high	96.1	Very high	48 Å²	48	50.5 Å²	50.5	29%	0.294	28%	0.276	S	S	.	.	H	α-helix	trans	-123.3	-17.1	-173.5	61.3	0	0	0	0	114.5	N140 D205 F206 Q211	N140-T209 WeakPolarHBondContact ND2-CG2 3.32Å; D205-T209 WeakPolarHBondContact O-CB 3.41Å; D205-T209 WeakPolarHBondContact O-CG2 3.29Å; D205-T209 PolarHBondContact O-N 2.83Å; D205-T209 PolarHBondContact O-OG1 3.48Å; F206-T209 PolarHBondContact O-N 2.77Å; F206-T209 VanDerWaalsContact O-N 3.16Å; T209-Q211 PolarHBondContact O-N 2.84Å; T209-Q211 PolarHBondContact OG1-N 3.3Å; T209-Q211 PolarHBondContact OG1-O 2.71Å
210	S	93.9	Very high	95.9	Very high	93 Å²	93	56.8 Å²	56.8	65%	0.65	31%	0.305	S	S	*	.	S	Bend	trans	53.9	26.9	-167.8	-52.4	0	0	0	0	113.6	F206	F206-S210 WeakPolarHBondContact O-CA 3.46Å; F206-S210 PolarHBondContact O-N 2.8Å
211	Q	95.3	Very high	95.8	Very high	150 Å²	150	60.5 Å²	60.5	70%	0.701	33%	0.325	S	S	*	.			trans	-127	141.1	179.8	-70.3	172.2	49.7	0	0	110.4	T209	T209-Q211 PolarHBondContact O-N 2.84Å; T209-Q211 PolarHBondContact OG1-N 3.3Å; T209-Q211 PolarHBondContact OG1-O 2.71Å
212	I	96.5	Very high	95.9	Very high	44 Å²	44	57.2 Å²	57.2	23%	0.226	31%	0.31	C	S	.	.			trans	-155.5	149.2	177.9	-161.1	165.3	0	0	0	109.3	T202 L203 F206 L222 I234	T202-I212 HydrophobicContact CG2-CD1 4.18Å; T202-I212 HydrophobicContact CG2-CG1 3.93Å; L203-I212 HydrophobicContact CD2-CD1 4.13Å; F206-I212 HydrophobicContact CB-CB 4.41Å; F206-I212 HydrophobicContact CB-CD1 4.29Å; F206-I212 HydrophobicContact CD2-CB 4.03Å; F206-I212 HydrophobicContact CD2-CG2 4.27Å; I212-L222 HydrophobicContact CD1-CD1 4.27Å; I212-L222 HydrophobicContact CD1-CD2 4.01Å; I212-L222 HydrophobicContact CG1-CD2 4.41Å; I212-I234 HydrophobicContact CD1-CD1 3.92Å; I212-I234 HydrophobicContact CD1-CG1 4.18Å; I212-I234 HydrophobicContact CD1-CG2 3.73Å; I212-I234 HydrophobicContact CG2-CD1 3.93Å
213	T	96.7	Very high	95.8	Very high	92 Å²	92	54.9 Å²	54.9	56%	0.564	30%	0.295	S	S	*	.			trans	-123.8	117.5	176.7	-51.5	0	0	0	0	108.2	E215 N218	T213-E215 HydrophobicContact CG2-CG 3.88Å; T213-N218 PolarHBondContact O-ND2 3.42Å
214	V	96.5	Very high	95.7	Very high	21 Å²	21	56.3 Å²	56.3	13%	0.127	30%	0.304	C	S	.	.			trans	-100.1	124.6	178.5	-175.5	0	0	0	0	109	V219 L222 V237 F241	V214-V219 HydrophobicContact CG1-CB 3.85Å; V214-V219 HydrophobicContact CG1-CG2 3.74Å; V214-L222 HydrophobicContact CG2-CD2 3.94Å; V214-V237 HydrophobicContact CG2-CG1 3.85Å; V214-F241 HydrophobicContact CG1-CB 3.9Å; V214-F241 HydrophobicContact CG1-CD1 4.16Å; V214-F241 HydrophobicContact CG1-CD2 4.24Å; V214-F241 HydrophobicContact CG1-CG 3.84Å; V214-F241 WeakPolarHBondContact O-CE2 3.35Å
215	E	95.3	Very high	95.7	Very high	100 Å²	100	56.2 Å²	56.2	47%	0.467	30%	0.304	S	S	.	.			trans	-137.2	160	-173.4	-59.1	-173.9	116.2	0	0	110	T213 C217 N218 V219	T213-E215 HydrophobicContact CG2-CG 3.88Å; E215-C217 PolarHBondContact O-N 3.44Å; E215-N218 PolarHBondContact N-OD1 3.14Å; E215-N218 PolarHBondContact O-N 2.73Å; E215-N218 PolarHBondContact O-OD1 2.83Å; E215-N218 VanDerWaalsContact O-OD1 3.12Å; E215-V219 WeakPolarHBondContact O-CB 3.26Å; E215-V219 PolarHBondContact O-N 2.99Å
216	E	93.2	Very high	95.7	Very high	158 Å²	158	54.2 Å²	54.2	74%	0.738	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.2	-38.2	-178.9	-173.1	-177.5	167	0	0	112.5	N218 F241	E216-N218 VanDerWaalsContact C-N 3.35Å; E216-N218 PolarHBondContact O-N 2.91Å; E216-F241 HydrophobicContact CB-CZ 4.48Å
217	C	94.8	Very high	95.6	Very high	110 Å²	110	54.2 Å²	54.2	74%	0.743	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.8	-16.6	179.3	58.3	0	0	0	0	115	E215	E215-C217 PolarHBondContact O-N 3.44Å
218	N	95.9	Very high	95.4	Very high	37 Å²	37	57.5 Å²	57.5	20%	0.198	31%	0.313	C	S	.	.	T	Hydrogen-bonded Turn	trans	-116.5	-25	-176.3	77.6	19.4	0	0	0	114	T213 E215 E216 Q220 N221 L222	T213-N218 PolarHBondContact O-ND2 3.42Å; E215-N218 PolarHBondContact N-OD1 3.14Å; E215-N218 PolarHBondContact O-N 2.73Å; E215-N218 PolarHBondContact O-OD1 2.83Å; E215-N218 VanDerWaalsContact O-OD1 3.12Å; E216-N218 VanDerWaalsContact C-N 3.35Å; E216-N218 PolarHBondContact O-N 2.91Å; N218-Q220 PolarHBondContact O-N 3.04Å; N218-Q220 VanDerWaalsContact O-N 3.14Å; N218-N221 PolarHBondContact O-N 3.35Å; N218-L222 VanDerWaalsContact O-CB 3.23Å; N218-L222 WeakPolarHBondContact O-CB 3.26Å; N218-L222 PolarHBondContact O-N 3.08Å
219	V	95.9	Very high	95.4	Very high	4 Å²	4	57.4 Å²	57.4	2%	0.024	31%	0.313	C	S	.	.	H	α-helix	trans	-61	-30.3	-171.8	69.3	0	0	0	0	113.6	V214 E215 L222 L223 C238 F241 L242	V214-V219 HydrophobicContact CG1-CB 3.85Å; V214-V219 HydrophobicContact CG1-CG2 3.74Å; E215-V219 WeakPolarHBondContact O-CB 3.26Å; E215-V219 PolarHBondContact O-N 2.99Å; V219-L222 PolarHBondContact O-N 2.88Å; V219-L223 WeakPolarHBondContact O-CB 3.27Å; V219-L223 PolarHBondContact O-N 3.02Å; V219-C238 HydrophobicContact CG2-CB 4.04Å; V219-F241 HydrophobicContact CB-CD1 4.27Å; V219-F241 HydrophobicContact CB-CE1 4.46Å; V219-F241 HydrophobicContact CG1-CD1 4.2Å; V219-F241 HydrophobicContact CG1-CE1 4.07Å; V219-F241 HydrophobicContact CG2-CD1 4.14Å; V219-L242 HydrophobicContact CG1-CD2 3.96Å; V219-L242 HydrophobicContact CG2-CD1 4.08Å; V219-L242 HydrophobicContact CG2-CD2 4.15Å; V219-L242 HydrophobicContact CG2-CG 3.93Å
220	Q	93.4	Very high	95.4	Very high	138 Å²	138	59.9 Å²	59.9	65%	0.645	32%	0.321	S	S	*	.	H	α-helix	trans	-67	-34.2	177.6	-66	-170.2	4	0	0	113.1	N218 P224 F257	N218-Q220 PolarHBondContact O-N 3.04Å; N218-Q220 VanDerWaalsContact O-N 3.14Å; Q220-P224 WeakPolarHBondContact O-CD 3.46Å; Q220-P224 WeakPolarHBondContact O-CG 3.44Å; Q220-F257 WeakPolarHBondContact O-CZ 3.18Å
221	N	95.8	Very high	95.5	Very high	77 Å²	77	55.9 Å²	55.9	41%	0.412	29%	0.292	S	S	.	.	H	α-helix	trans	-89.6	-31.1	175.4	-67.2	2.3	0	0	0	111.8	D196 A199 N218 P224 A225	D196-N221 HydrophobicContact CB-CB 3.87Å; D196-N221 WeakPolarHBondContact OD2-CB 3.42Å; D196-N221 PolarHBondContact OD2-ND2 2.8Å; A199-N221 HydrophobicContact CB-CB 3.84Å; A199-N221 WeakPolarHBondContact CB-O 3.4Å; N218-N221 PolarHBondContact O-N 3.35Å; N221-P224 WeakPolarHBondContact O-CD 3.45Å; N221-A225 WeakPolarHBondContact O-CB 3.42Å; N221-A225 PolarHBondContact O-N 2.82Å
222	L	97.2	Very high	95.4	Very high	2 Å²	2	52.6 Å²	52.6	1%	0.01	28%	0.283	C	S	.	.	H	α-helix	trans	-76.5	-39.3	-173.7	-169.1	65.8	0	0	0	113.3	A199 T202 L203 I212 V214 N218 V219 A226 I234	A199-L222 HydrophobicContact CB-CD1 4.41Å; T202-L222 HydrophobicContact CG2-CD1 4.11Å; L203-L222 HydrophobicContact CD1-CD1 4.26Å; L203-L222 HydrophobicContact CD2-CD1 3.71Å; L203-L222 HydrophobicContact CG-CD1 3.7Å; I212-L222 HydrophobicContact CD1-CD1 4.27Å; I212-L222 HydrophobicContact CD1-CD2 4.01Å; I212-L222 HydrophobicContact CG1-CD2 4.41Å; V214-L222 HydrophobicContact CG2-CD2 3.94Å; N218-L222 VanDerWaalsContact O-CB 3.23Å; N218-L222 WeakPolarHBondContact O-CB 3.26Å; N218-L222 PolarHBondContact O-N 3.08Å; V219-L222 PolarHBondContact O-N 2.88Å; L222-A226 VanDerWaalsContact O-CB 3.27Å; L222-A226 WeakPolarHBondContact O-CB 3.5Å; L222-A226 PolarHBondContact O-N 2.97Å; L222-I234 HydrophobicContact CG-CG2 4.45Å
223	L	96.1	Very high	95.2	Very high	0 Å²	0	57.2 Å²	57.2	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-64.4	-48	177.5	179.9	65.6	0	0	0	112.8	V219 A225 A226 C227 Q235 C238 L242 F257	V219-L223 WeakPolarHBondContact O-CB 3.27Å; V219-L223 PolarHBondContact O-N 3.02Å; L223-A225 VanDerWaalsContact C-N 3.34Å; L223-A225 PolarHBondContact O-N 3.12Å; L223-A226 PolarHBondContact O-N 3.41Å; L223-C227 WeakPolarHBondContact O-CB 3.48Å; L223-C227 PolarHBondContact O-N 3.5Å; L223-C227 PolarHBondContact O-SG 3.25Å; L223-Q235 HydrophobicContact CD1-CB 4.33Å; L223-Q235 HydrophobicContact CD1-CG 3.86Å; L223-C238 HydrophobicContact CB-CB 4.05Å; L223-C238 HydrophobicContact CD1-CB 3.79Å; L223-C238 HydrophobicContact CG-CB 4.43Å; L223-L242 HydrophobicContact CD2-CD1 3.95Å; L223-F257 HydrophobicContact CB-CE1 4.09Å; L223-F257 HydrophobicContact CB-CZ 4.13Å; L223-F257 HydrophobicContact CD2-CD1 4.05Å; L223-F257 HydrophobicContact CD2-CE1 3.53Å; L223-F257 HydrophobicContact CD2-CZ 4.19Å; L223-F257 HydrophobicContact CG-CE1 4.33Å
224	P	95.1	Very high	95.2	Very high	30 Å²	30	52.9 Å²	52.9	20%	0.195	28%	0.277	C	S	.	.	H	α-helix	trans	-61.1	-42	178.1	-22.2	33.5	0	0	0	112.2	Q220 N221 C227 L228 F257	Q220-P224 WeakPolarHBondContact O-CD 3.46Å; Q220-P224 WeakPolarHBondContact O-CG 3.44Å; N221-P224 WeakPolarHBondContact O-CD 3.45Å; P224-C227 PolarHBondContact O-N 2.9Å; P224-L228 PolarHBondContact O-N 2.84Å; P224-F257 HydrophobicContact CG-CE2 3.96Å; P224-F257 HydrophobicContact CG-CZ 4Å
225	A	96.5	Very high	95.1	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-64.2	-42.6	176.5	0	0	0	0	0	112	L195 A199 V200 L203 N221 L223 C227 L228 L229	L195-A225 HydrophobicContact CD2-CB 3.94Å; A199-A225 HydrophobicContact CB-CB 4.13Å; V200-A225 HydrophobicContact CG2-CB 4.47Å; L203-A225 HydrophobicContact CD1-CB 3.49Å; L203-A225 VanDerWaalsContact CD1-CB 3.49Å; N221-A225 WeakPolarHBondContact O-CB 3.42Å; N221-A225 PolarHBondContact O-N 2.82Å; L223-A225 VanDerWaalsContact C-N 3.34Å; L223-A225 PolarHBondContact O-N 3.12Å; A225-C227 PolarHBondContact O-N 2.8Å; A225-L228 PolarHBondContact O-N 3.19Å; A225-L229 VanDerWaalsContact O-CB 3.28Å; A225-L229 WeakPolarHBondContact O-CB 3.14Å; A225-L229 VanDerWaalsContact O-CG 3.3Å; A225-L229 WeakPolarHBondContact O-CG 3.35Å; A225-L229 PolarHBondContact O-N 2.83Å
226	A	96.5	Very high	95.1	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-64	-39.5	175.1	0	0	0	0	0	112.3	L203 L222 L223 Q230 L231 I234	L203-A226 HydrophobicContact CD1-CB 4.38Å; L203-A226 HydrophobicContact CD2-CB 4.19Å; L222-A226 VanDerWaalsContact O-CB 3.27Å; L222-A226 WeakPolarHBondContact O-CB 3.5Å; L222-A226 PolarHBondContact O-N 2.97Å; L223-A226 PolarHBondContact O-N 3.41Å; A226-Q230 PolarHBondContact O-N 3.35Å; A226-Q230 VanDerWaalsContact O-N 3.09Å; A226-L231 HydrophobicContact CB-CB 4.45Å; A226-L231 PolarHBondContact O-N 2.84Å; A226-I234 HydrophobicContact CB-CB 3.99Å; A226-I234 HydrophobicContact CB-CG2 3.88Å
227	C	93.9	Very high	95.2	Very high	28 Å²	28	49.6 Å²	49.6	19%	0.189	27%	0.267	C	S	.	.	H	α-helix	trans	-64	-50	175.1	-71.2	0	0	0	0	112	L223 P224 A225 Q230 Q235	L223-C227 WeakPolarHBondContact O-CB 3.48Å; L223-C227 PolarHBondContact O-N 3.5Å; L223-C227 PolarHBondContact O-SG 3.25Å; P224-C227 PolarHBondContact O-N 2.9Å; A225-C227 PolarHBondContact O-N 2.8Å; C227-Q230 PolarHBondContact O-N 3.38Å; C227-Q230 VanDerWaalsContact O-N 3.16Å; C227-Q235 PolarHBondContact SG-NE2 3.08Å; C227-Q235 VanDerWaalsContact SG-NE2 3.4Å
228	L	94	Very high	95.3	Very high	73 Å²	73	44.3 Å²	44.3	38%	0.382	23%	0.232	S	C	.	.	H	α-helix	trans	-66.5	-41.3	-178.3	-175.6	58.4	0	0	0	112	Y173 L195 P224 A225 Q230	Y173-L228 WeakPolarHBondContact CD2-O 3.25Å; L195-L228 HydrophobicContact CD1-CD2 4.13Å; L195-L228 HydrophobicContact CD2-CB 4.48Å; L195-L228 HydrophobicContact CD2-CD2 3.89Å; L195-L228 HydrophobicContact CG-CD2 4.03Å; P224-L228 PolarHBondContact O-N 2.84Å; A225-L228 PolarHBondContact O-N 3.19Å; L228-Q230 PolarHBondContact O-N 2.82Å
229	L	94.9	Very high	95.3	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.8	5	176	-58.6	179.9	0	0	0	113.3	S171 Y173 F174 L195 V200 L203 A225 L231	S171-L229 WeakPolarHBondContact CB-O 3.38Å; S171-L229 PolarHBondContact OG-O 2.83Å; Y173-L229 HydrophobicContact CD1-CD2 3.63Å; Y173-L229 HydrophobicContact CE1-CD2 3.71Å; Y173-L229 HydrophobicContact CG-CD2 4.38Å; F174-L229 HydrophobicContact CE1-CD2 4.37Å; F174-L229 HydrophobicContact CE2-CD1 4.12Å; F174-L229 HydrophobicContact CE2-CD2 3.92Å; F174-L229 HydrophobicContact CE2-CG 4.44Å; F174-L229 HydrophobicContact CZ-CD1 4.3Å; F174-L229 HydrophobicContact CZ-CD2 3.71Å; L195-L229 HydrophobicContact CD1-CD1 4.43Å; L195-L229 HydrophobicContact CD1-CD2 4.27Å; L195-L229 HydrophobicContact CD1-CG 4.27Å; V200-L229 HydrophobicContact CG2-CD1 4.41Å; L203-L229 HydrophobicContact CD1-CD1 4.13Å; A225-L229 VanDerWaalsContact O-CB 3.28Å; A225-L229 WeakPolarHBondContact O-CB 3.14Å; A225-L229 VanDerWaalsContact O-CG 3.3Å; A225-L229 WeakPolarHBondContact O-CG 3.35Å; A225-L229 PolarHBondContact O-N 2.83Å; L229-L231 VanDerWaalsContact C-N 3.33Å; L229-L231 HydrophobicContact CB-CD1 4.3Å; L229-L231 HydrophobicContact CB-CG 4.39Å; L229-L231 PolarHBondContact O-N 2.87Å
230	Q	95	Very high	95.2	Very high	100 Å²	100	46 Å²	46	47%	0.467	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.9	43.5	176.3	-59.4	-178.5	-10.4	0	0	113.8	A172 A226 C227 L228 T232	A172-Q230 HydrophobicContact CB-CB 4.14Å; A172-Q230 VanDerWaalsContact CB-OE1 3.24Å; A226-Q230 PolarHBondContact O-N 3.35Å; A226-Q230 VanDerWaalsContact O-N 3.09Å; C227-Q230 PolarHBondContact O-N 3.38Å; C227-Q230 VanDerWaalsContact O-N 3.16Å; L228-Q230 PolarHBondContact O-N 2.82Å; Q230-T232 PolarHBondContact O-N 3.43Å
231	L	95.9	Very high	95.3	Very high	10 Å²	10	41.5 Å²	41.5	5%	0.052	22%	0.217	C	C	.	.			trans	-96.8	71.1	175.7	-68.4	171.8	0	0	0	109.9	C170 L203 A226 L229 E233 I234 Q235	C170-L231 HydrophobicContact CB-CD2 4.42Å; C170-L231 WeakPolarHBondContact O-CD2 3.25Å; L203-L231 HydrophobicContact CB-CD1 3.9Å; L203-L231 HydrophobicContact CD1-CD1 4.29Å; L203-L231 HydrophobicContact CD2-CD1 3.86Å; L203-L231 HydrophobicContact CG-CD1 4.22Å; A226-L231 HydrophobicContact CB-CB 4.45Å; A226-L231 PolarHBondContact O-N 2.84Å; L229-L231 VanDerWaalsContact C-N 3.33Å; L229-L231 HydrophobicContact CB-CD1 4.3Å; L229-L231 HydrophobicContact CB-CG 4.39Å; L229-L231 PolarHBondContact O-N 2.87Å; L231-E233 VanDerWaalsContact C-N 3.3Å; L231-E233 PolarHBondContact O-N 2.93Å; L231-I234 HydrophobicContact CB-CB 4.38Å; L231-I234 HydrophobicContact CB-CG1 4.31Å; L231-I234 PolarHBondContact O-N 3.11Å; L231-Q235 PolarHBondContact O-N 3.13Å
232	T	93.3	Very high	95.3	Very high	81 Å²	81	38.4 Å²	38.4	50%	0.497	20%	0.201	S	C	.	.	H	α-helix	trans	-56.9	-35.8	-170.4	-51.1	0	0	0	0	114.2	Q230 I234 Q235 D236	Q230-T232 PolarHBondContact O-N 3.43Å; T232-I234 VanDerWaalsContact C-N 3.29Å; T232-I234 PolarHBondContact O-N 2.72Å; T232-Q235 WeakPolarHBondContact O-CB 3.45Å; T232-Q235 PolarHBondContact O-N 3.13Å; T232-D236 PolarHBondContact O-N 3.08Å
233	E	94.2	Very high	95.1	Very high	140 Å²	140	41.5 Å²	41.5	65%	0.654	21%	0.214	S	C	*	.	H	α-helix	trans	-60.8	-38.9	175.6	-175.1	173	-160.8	0	0	111.8	L231 V237	L231-E233 VanDerWaalsContact C-N 3.3Å; L231-E233 PolarHBondContact O-N 2.93Å; E233-V237 VanDerWaalsContact O-CG2 3.32Å; E233-V237 WeakPolarHBondContact O-CG2 3.44Å; E233-V237 PolarHBondContact O-N 3.32Å; E233-V237 VanDerWaalsContact O-N 3.1Å
234	I	96	Very high	95	Very high	2 Å²	2	50.1 Å²	50.1	1%	0.01	25%	0.247	C	C	.	.	H	α-helix	trans	-74.7	-36.8	176.2	-53.4	-47.7	0	0	0	111.3	L203 F206 I212 L222 A226 L231 T232 D236 V237 C238	L203-I234 HydrophobicContact CD2-CB 4.21Å; L203-I234 HydrophobicContact CD2-CG1 4.14Å; L203-I234 HydrophobicContact CD2-CG2 3.74Å; F206-I234 HydrophobicContact CD1-CD1 3.87Å; F206-I234 HydrophobicContact CD1-CG1 3.95Å; F206-I234 HydrophobicContact CD2-CD1 3.94Å; F206-I234 HydrophobicContact CE1-CD1 3.66Å; F206-I234 HydrophobicContact CE1-CG1 3.88Å; F206-I234 HydrophobicContact CE2-CD1 3.73Å; F206-I234 HydrophobicContact CG-CD1 4.02Å; F206-I234 HydrophobicContact CG-CG1 4.43Å; F206-I234 HydrophobicContact CZ-CD1 3.58Å; F206-I234 HydrophobicContact CZ-CG1 4.31Å; I212-I234 HydrophobicContact CD1-CD1 3.92Å; I212-I234 HydrophobicContact CD1-CG1 4.18Å; I212-I234 HydrophobicContact CD1-CG2 3.73Å; I212-I234 HydrophobicContact CG2-CD1 3.93Å; L222-I234 HydrophobicContact CG-CG2 4.45Å; A226-I234 HydrophobicContact CB-CB 3.99Å; A226-I234 HydrophobicContact CB-CG2 3.88Å; L231-I234 HydrophobicContact CB-CB 4.38Å; L231-I234 HydrophobicContact CB-CG1 4.31Å; L231-I234 PolarHBondContact O-N 3.11Å; T232-I234 VanDerWaalsContact C-N 3.29Å; T232-I234 PolarHBondContact O-N 2.72Å; I234-D236 VanDerWaalsContact C-N 3.3Å; I234-D236 PolarHBondContact O-N 3.07Å; I234-V237 PolarHBondContact O-N 3.24Å; I234-C238 WeakPolarHBondContact O-CB 3.44Å; I234-C238 PolarHBondContact O-N 2.8Å; I234-C238 PolarHBondContact O-SG 3.48Å; I234-C238 VanDerWaalsContact O-SG 3.41Å
235	Q	94.9	Very high	94.8	Very high	42 Å²	42	53 Å²	53	20%	0.196	26%	0.257	C	S	.	.	H	α-helix	trans	-55.8	-46.1	172	-177.3	-177.7	14.9	0	0	111.2	L223 C227 L231 T232 C239 C263	L223-Q235 HydrophobicContact CD1-CB 4.33Å; L223-Q235 HydrophobicContact CD1-CG 3.86Å; C227-Q235 PolarHBondContact SG-NE2 3.08Å; C227-Q235 VanDerWaalsContact SG-NE2 3.4Å; L231-Q235 PolarHBondContact O-N 3.13Å; T232-Q235 WeakPolarHBondContact O-CB 3.45Å; T232-Q235 PolarHBondContact O-N 3.13Å; Q235-C239 WeakPolarHBondContact O-CB 3.45Å; Q235-C239 PolarHBondContact O-N 2.8Å; Q235-C239 PolarHBondContact O-SG 3.41Å; Q235-C263 PolarHBondContact NE2-SG 2.95Å; Q235-C263 VanDerWaalsContact NE2-SG 3.38Å
236	D	93.9	Very high	94.6	Very high	100 Å²	100	54 Å²	54	54%	0.535	26%	0.263	S	S	.	.	H	α-helix	trans	-66.2	-42.2	178	-81.6	-36	0	0	0	112.5	T232 I234 C239 E240	T232-D236 PolarHBondContact O-N 3.08Å; I234-D236 VanDerWaalsContact C-N 3.3Å; I234-D236 PolarHBondContact O-N 3.07Å; D236-C239 PolarHBondContact O-N 3.09Å; D236-E240 VanDerWaalsContact O-CB 3.3Å; D236-E240 WeakPolarHBondContact O-CB 3.29Å; D236-E240 PolarHBondContact O-N 3.4Å
237	V	96.2	Very high	94.4	Very high	67 Å²	67	57.4 Å²	57.4	41%	0.406	28%	0.281	S	S	.	.	H	α-helix	trans	-64.1	-44.5	176	173.3	0	0	0	0	111.4	V214 E233 I234 E240 F241	V214-V237 HydrophobicContact CG2-CG1 3.85Å; E233-V237 VanDerWaalsContact O-CG2 3.32Å; E233-V237 WeakPolarHBondContact O-CG2 3.44Å; E233-V237 PolarHBondContact O-N 3.32Å; E233-V237 VanDerWaalsContact O-N 3.1Å; I234-V237 PolarHBondContact O-N 3.24Å; V237-E240 PolarHBondContact O-N 2.91Å; V237-F241 PolarHBondContact O-N 2.84Å
238	C	96.7	Very high	94.3	Very high	0 Å²	0	57 Å²	57	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-63.5	-41.6	175.1	-74	0	0	0	0	112	V219 L223 I234 E240 F241 L242	V219-C238 HydrophobicContact CG2-CB 4.04Å; L223-C238 HydrophobicContact CB-CB 4.05Å; L223-C238 HydrophobicContact CD1-CB 3.79Å; L223-C238 HydrophobicContact CG-CB 4.43Å; I234-C238 WeakPolarHBondContact O-CB 3.44Å; I234-C238 PolarHBondContact O-N 2.8Å; I234-C238 PolarHBondContact O-SG 3.48Å; I234-C238 VanDerWaalsContact O-SG 3.41Å; C238-E240 VanDerWaalsContact C-N 3.34Å; C238-E240 PolarHBondContact O-N 3.46Å; C238-F241 PolarHBondContact O-N 2.77Å; C238-L242 WeakPolarHBondContact O-CG 3.35Å; C238-L242 PolarHBondContact O-N 2.93Å
239	C	95.2	Very high	94.3	Very high	7 Å²	7	57.2 Å²	57.2	5%	0.047	29%	0.285	C	S	.	.	H	α-helix	trans	-64	-37.6	173.8	-73.4	0	0	0	0	112.4	Q235 D236 L242 K243 L266	Q235-C239 WeakPolarHBondContact O-CB 3.45Å; Q235-C239 PolarHBondContact O-N 2.8Å; Q235-C239 PolarHBondContact O-SG 3.41Å; D236-C239 PolarHBondContact O-N 3.09Å; C239-L242 PolarHBondContact O-N 2.82Å; C239-K243 WeakPolarHBondContact O-CB 3.49Å; C239-K243 WeakPolarHBondContact O-CE 3.22Å; C239-K243 WeakPolarHBondContact O-CG 3.48Å; C239-K243 PolarHBondContact O-N 3.48Å; C239-L266 HydrophobicContact CB-CB 4.3Å
240	E	94	Very high	94.2	Very high	69 Å²	69	59.5 Å²	59.5	32%	0.322	30%	0.298	S	S	.	.	H	α-helix	trans	-71	-32.2	176.5	-177.7	57.9	-159.2	0	0	113	D236 V237 C238 K243 R244	D236-E240 VanDerWaalsContact O-CB 3.3Å; D236-E240 WeakPolarHBondContact O-CB 3.29Å; D236-E240 PolarHBondContact O-N 3.4Å; V237-E240 PolarHBondContact O-N 2.91Å; C238-E240 VanDerWaalsContact C-N 3.34Å; C238-E240 PolarHBondContact O-N 3.46Å; E240-K243 WeakPolarHBondContact OE2-CE 3.34Å; E240-K243 IonicContact OE2-NZ 2.73Å; E240-K243 PolarHBondContact OE2-NZ 2.79Å; E240-R244 WeakPolarHBondContact O-CD 3.3Å; E240-R244 WeakPolarHBondContact O-CG 3.35Å; E240-R244 IonicContact OE1-CZ 2.81Å; E240-R244 IonicContact OE1-NE 3.56Å; E240-R244 PolarHBondContact OE1-NE 2.73Å; E240-R244 IonicContact OE1-NH2 3.82Å; E240-R244 PolarHBondContact OE1-NH2 3.36Å
241	F	96.5	Very high	94.2	Very high	43 Å²	43	54.7 Å²	54.7	19%	0.189	28%	0.275	C	S	.	.	H	α-helix	trans	-62.6	-53.1	167.4	-179.1	-90.5	0	0	0	110.8	V214 E216 V219 V237 C238 K243 R244 Q245	V214-F241 HydrophobicContact CG1-CB 3.9Å; V214-F241 HydrophobicContact CG1-CD1 4.16Å; V214-F241 HydrophobicContact CG1-CD2 4.24Å; V214-F241 HydrophobicContact CG1-CG 3.84Å; V214-F241 WeakPolarHBondContact O-CE2 3.35Å; E216-F241 HydrophobicContact CB-CZ 4.48Å; V219-F241 HydrophobicContact CB-CD1 4.27Å; V219-F241 HydrophobicContact CB-CE1 4.46Å; V219-F241 HydrophobicContact CG1-CD1 4.2Å; V219-F241 HydrophobicContact CG1-CE1 4.07Å; V219-F241 HydrophobicContact CG2-CD1 4.14Å; V237-F241 PolarHBondContact O-N 2.84Å; C238-F241 PolarHBondContact O-N 2.77Å; F241-K243 VanDerWaalsContact C-N 3.34Å; F241-K243 PolarHBondContact O-N 3.4Å; F241-R244 WeakPolarHBondContact O-CB 3.47Å; F241-R244 PolarHBondContact O-N 2.83Å; F241-Q245 HydrophobicContact CD1-CG 4.15Å; F241-Q245 HydrophobicContact CE1-CG 3.75Å; F241-Q245 HydrophobicContact CZ-CG 4.03Å; F241-Q245 PolarHBondContact O-N 2.77Å
242	L	96.1	Very high	94.2	Very high	12 Å²	12	54.6 Å²	54.6	6%	0.063	28%	0.275	C	S	.	.	H	α-helix	trans	-61.5	-38.1	-178.4	-69.2	168	0	0	0	112.9	V219 L223 C238 C239 R244 Q245 L246 I254 F257 L266	V219-L242 HydrophobicContact CG1-CD2 3.96Å; V219-L242 HydrophobicContact CG2-CD1 4.08Å; V219-L242 HydrophobicContact CG2-CD2 4.15Å; V219-L242 HydrophobicContact CG2-CG 3.93Å; L223-L242 HydrophobicContact CD2-CD1 3.95Å; C238-L242 WeakPolarHBondContact O-CG 3.35Å; C238-L242 PolarHBondContact O-N 2.93Å; C239-L242 PolarHBondContact O-N 2.82Å; L242-R244 PolarHBondContact O-N 3Å; L242-R244 VanDerWaalsContact O-N 3.12Å; L242-Q245 PolarHBondContact O-N 3.49Å; L242-Q245 VanDerWaalsContact O-N 3.09Å; L242-L246 PolarHBondContact O-N 2.89Å; L242-I254 HydrophobicContact CB-CG2 4.39Å; L242-I254 HydrophobicContact CD2-CD1 4.42Å; L242-F257 HydrophobicContact CD1-CD1 3.98Å; L242-F257 HydrophobicContact CD1-CE1 3.88Å; L242-L266 HydrophobicContact CB-CD1 3.87Å; L242-L266 HydrophobicContact CB-CD2 3.83Å; L242-L266 HydrophobicContact CD1-CD2 3.64Å; L242-L266 HydrophobicContact CG-CD2 4.39Å
243	K	92.7	Very high	94.2	Very high	67 Å²	67	52.1 Å²	52.1	29%	0.291	27%	0.265	S	S	.	.	H	α-helix	trans	-54.3	-28.3	171.9	-87.5	175.5	-94.4	158.3	0	113.6	C239 E240 F241 L266 V269	C239-K243 WeakPolarHBondContact O-CB 3.49Å; C239-K243 WeakPolarHBondContact O-CE 3.22Å; C239-K243 WeakPolarHBondContact O-CG 3.48Å; C239-K243 PolarHBondContact O-N 3.48Å; E240-K243 WeakPolarHBondContact OE2-CE 3.34Å; E240-K243 IonicContact OE2-NZ 2.73Å; E240-K243 PolarHBondContact OE2-NZ 2.79Å; F241-K243 VanDerWaalsContact C-N 3.34Å; F241-K243 PolarHBondContact O-N 3.4Å; K243-L266 HydrophobicContact CG-CD1 3.79Å; K243-V269 HydrophobicContact CD-CG2 4.35Å; K243-V269 HydrophobicContact CG-CB 4.36Å; K243-V269 HydrophobicContact CG-CG1 4.21Å; K243-V269 HydrophobicContact CG-CG2 4.49Å
244	R	92.4	Very high	94.2	Very high	182 Å²	182	46.1 Å²	46.1	69%	0.687	24%	0.238	S	C	*	.	H	α-helix	trans	-92.2	-12.7	-178.1	-63.6	167.5	-173.4	-169.9	2.8	113.5	E240 F241 L242	E240-R244 WeakPolarHBondContact O-CD 3.3Å; E240-R244 WeakPolarHBondContact O-CG 3.35Å; E240-R244 IonicContact OE1-CZ 2.81Å; E240-R244 IonicContact OE1-NE 3.56Å; E240-R244 PolarHBondContact OE1-NE 2.73Å; E240-R244 IonicContact OE1-NH2 3.82Å; E240-R244 PolarHBondContact OE1-NH2 3.36Å; F241-R244 WeakPolarHBondContact O-CB 3.47Å; F241-R244 PolarHBondContact O-N 2.83Å; L242-R244 PolarHBondContact O-N 3Å; L242-R244 VanDerWaalsContact O-N 3.12Å
245	Q	92.9	Very high	94.2	Very high	89 Å²	89	47 Å²	47	42%	0.416	24%	0.241	S	C	.	.	S	Bend	trans	-104.6	9.1	178.7	-54.6	-63	2.9	0	0	113	F241 L242 D247 N250	F241-Q245 HydrophobicContact CD1-CG 4.15Å; F241-Q245 HydrophobicContact CE1-CG 3.75Å; F241-Q245 HydrophobicContact CZ-CG 4.03Å; F241-Q245 PolarHBondContact O-N 2.77Å; L242-Q245 PolarHBondContact O-N 3.49Å; L242-Q245 VanDerWaalsContact O-N 3.09Å; Q245-D247 PolarHBondContact O-N 3.47Å; Q245-N250 PolarHBondContact O-ND2 3.45Å; Q245-N250 PolarHBondContact O-OD1 2.79Å
246	L	91.4	Very high	94.1	Very high	21 Å²	21	46.7 Å²	46.7	11%	0.11	25%	0.245	C	C	.	.			trans	-64.8	119.5	177.2	-80.7	166.6	0	0	0	111.3	L242 C251 I254 V269 A270 F273	L242-L246 PolarHBondContact O-N 2.89Å; L246-C251 HydrophobicContact CD2-CB 3.84Å; L246-I254 HydrophobicContact CD2-CB 4.06Å; L246-I254 HydrophobicContact CD2-CD1 4.07Å; L246-I254 HydrophobicContact CD2-CG2 3.85Å; L246-I254 HydrophobicContact CG-CD1 4.48Å; L246-V269 HydrophobicContact CD1-CG1 3.76Å; L246-A270 HydrophobicContact CD2-CB 4.12Å; L246-F273 HydrophobicContact CB-CD1 4.42Å; L246-F273 HydrophobicContact CB-CD2 3.95Å; L246-F273 HydrophobicContact CB-CE1 4.48Å; L246-F273 HydrophobicContact CB-CE2 4Å; L246-F273 HydrophobicContact CB-CG 4.17Å; L246-F273 HydrophobicContact CB-CZ 4.27Å; L246-F273 HydrophobicContact CD1-CB 4.35Å; L246-F273 HydrophobicContact CD1-CG 4.49Å; L246-F273 WeakPolarHBondContact O-CE2 3.39Å; L246-F273 VanDerWaalsContact O-CZ 3.24Å; L246-F273 WeakPolarHBondContact O-CZ 3.41Å
247	D	92.9	Very high	94.1	Very high	73 Å²	73	44 Å²	44	39%	0.39	23%	0.229	S	C	.	.			trans	-134.2	151.2	178.4	-179.1	-88.3	0	0	0	109.5	Q245 S249 N250 C251 F273	Q245-D247 PolarHBondContact O-N 3.47Å; D247-S249 PolarHBondContact O-N 2.85Å; D247-S249 VanDerWaalsContact OD1-CB 3.29Å; D247-S249 WeakPolarHBondContact OD1-CB 3.19Å; D247-S249 PolarHBondContact OD1-N 2.97Å; D247-S249 PolarHBondContact OD1-OG 2.94Å; D247-N250 PolarHBondContact N-OD1 2.8Å; D247-N250 PolarHBondContact O-N 2.88Å; D247-N250 PolarHBondContact O-OD1 3.31Å; D247-N250 VanDerWaalsContact O-OD1 3.11Å; D247-C251 WeakPolarHBondContact O-CB 3.39Å; D247-C251 PolarHBondContact O-N 2.85Å; D247-F273 VanDerWaalsContact C-CE1 3.48Å
248	P	91.4	Very high	94	Very high	20 Å²	20	40.8 Å²	40.8	13%	0.13	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57	-22.4	179.7	-26.5	36.9	0	0	0	114.4	F273 N277 E280 V281	P248-F273 HydrophobicContact CG-CE1 4.19Å; P248-F273 HydrophobicContact CG-CZ 4.41Å; P248-N277 HydrophobicContact CG-CB 4.11Å; P248-E280 HydrophobicContact CB-CB 3.76Å; P248-E280 HydrophobicContact CG-CB 4.05Å; P248-V281 HydrophobicContact CB-CG2 4.06Å
249	S	92.8	Very high	93.8	Very high	76 Å²	76	44.7 Å²	44.7	53%	0.531	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.3	-14.9	176.9	65.7	0	0	0	0	115.8	D247	D247-S249 PolarHBondContact O-N 2.85Å; D247-S249 VanDerWaalsContact OD1-CB 3.29Å; D247-S249 WeakPolarHBondContact OD1-CB 3.19Å; D247-S249 PolarHBondContact OD1-N 2.97Å; D247-S249 PolarHBondContact OD1-OG 2.94Å
250	N	93.7	Very high	93.6	Very high	48 Å²	48	49.4 Å²	49.4	26%	0.257	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-128.8	-6.8	-175.5	73.9	19.4	0	0	0	114.7	Q245 D247 L252 G253 I254 E286	Q245-N250 PolarHBondContact O-ND2 3.45Å; Q245-N250 PolarHBondContact O-OD1 2.79Å; D247-N250 PolarHBondContact N-OD1 2.8Å; D247-N250 PolarHBondContact O-N 2.88Å; D247-N250 PolarHBondContact O-OD1 3.31Å; D247-N250 VanDerWaalsContact O-OD1 3.11Å; N250-L252 VanDerWaalsContact C-N 3.25Å; N250-L252 PolarHBondContact O-N 3.39Å; N250-G253 PolarHBondContact O-N 3.04Å; N250-I254 WeakPolarHBondContact O-CG1 3.45Å; N250-I254 PolarHBondContact O-N 2.93Å; N250-I254 WeakPolarHBondContact OD1-CD1 3.28Å; N250-E286 WeakPolarHBondContact CA-OE2 3.39Å
251	C	94.7	Very high	93.5	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-67.8	-23.2	-170.1	65.3	0	0	0	0	113.8	L246 D247 R255 F273 V281	L246-C251 HydrophobicContact CD2-CB 3.84Å; D247-C251 WeakPolarHBondContact O-CB 3.39Å; D247-C251 PolarHBondContact O-N 2.85Å; C251-R255 VanDerWaalsContact O-CB 3.28Å; C251-R255 WeakPolarHBondContact O-CB 3.25Å; C251-R255 PolarHBondContact O-N 2.79Å; C251-F273 HydrophobicContact CB-CD1 3.62Å; C251-F273 HydrophobicContact CB-CE1 4.01Å; C251-V281 VanDerWaalsContact SG-CG2 3.51Å
252	L	95.6	Very high	93.2	Very high	7 Å²	7	49.6 Å²	49.6	4%	0.037	27%	0.273	C	S	.	.	H	α-helix	trans	-79.8	-38.5	176	-59.6	172.5	0	0	0	110.7	N250 R255 A256 T274 V281 E286 F287 L290 I298	N250-L252 VanDerWaalsContact C-N 3.25Å; N250-L252 PolarHBondContact O-N 3.39Å; L252-R255 WeakPolarHBondContact O-CB 3.31Å; L252-R255 PolarHBondContact O-N 2.84Å; L252-A256 WeakPolarHBondContact O-CB 3.3Å; L252-A256 PolarHBondContact O-N 3.07Å; L252-T274 HydrophobicContact CD2-CG2 3.67Å; L252-V281 HydrophobicContact CD1-CG1 3.55Å; L252-V281 HydrophobicContact CD2-CG1 4.1Å; L252-V281 HydrophobicContact CG-CG1 3.79Å; L252-E286 WeakPolarHBondContact CA-OE2 3.21Å; L252-E286 HydrophobicContact CB-CB 4.05Å; L252-E286 WeakPolarHBondContact CB-OE2 3.33Å; L252-E286 HydrophobicContact CD1-CB 3.91Å; L252-E286 HydrophobicContact CG-CB 4.5Å; L252-E286 PolarHBondContact N-OE2 2.9Å; L252-E286 VanDerWaalsContact N-OE2 3.09Å; L252-F287 HydrophobicContact CD1-CB 3.92Å; L252-F287 HydrophobicContact CD1-CD2 4.47Å; L252-L290 HydrophobicContact CB-CD2 4.34Å; L252-L290 HydrophobicContact CD1-CD1 3.88Å; L252-L290 HydrophobicContact CD1-CD2 4.13Å; L252-L290 HydrophobicContact CD1-CG 4.01Å; L252-L290 HydrophobicContact CD2-CD1 4.36Å; L252-L290 HydrophobicContact CD2-CD2 4.34Å; L252-I298 HydrophobicContact CD2-CD1 3.75Å
253	G	94	Very high	93	Very high	29 Å²	29	49.3 Å²	49.3	30%	0.299	27%	0.272	S	S	.	.	H	α-helix	trans	-58.6	-49.6	168.3	0	0	0	0	0	111.8	N250 R255 A256 F257 E286	N250-G253 PolarHBondContact O-N 3.04Å; G253-R255 VanDerWaalsContact C-N 3.34Å; G253-R255 PolarHBondContact O-N 3.34Å; G253-A256 PolarHBondContact O-N 3.21Å; G253-F257 VanDerWaalsContact O-CB 3.3Å; G253-F257 WeakPolarHBondContact O-CB 3.16Å; G253-F257 PolarHBondContact O-N 2.79Å; G253-E286 WeakPolarHBondContact CA-OE1 3.49Å; G253-E286 VanDerWaalsContact N-CD 3.35Å; G253-E286 PolarHBondContact N-OE1 3.09Å; G253-E286 PolarHBondContact N-OE2 2.89Å
254	I	95.1	Very high	92.9	Very high	15 Å²	15	55.3 Å²	55.3	8%	0.077	29%	0.292	C	S	.	.	H	α-helix	trans	-62.9	-37.6	176.3	-66.4	177.6	0	0	0	111.6	L242 L246 N250 A258 L266	L242-I254 HydrophobicContact CB-CG2 4.39Å; L242-I254 HydrophobicContact CD2-CD1 4.42Å; L246-I254 HydrophobicContact CD2-CB 4.06Å; L246-I254 HydrophobicContact CD2-CD1 4.07Å; L246-I254 HydrophobicContact CD2-CG2 3.85Å; L246-I254 HydrophobicContact CG-CD1 4.48Å; N250-I254 WeakPolarHBondContact O-CG1 3.45Å; N250-I254 PolarHBondContact O-N 2.93Å; N250-I254 WeakPolarHBondContact OD1-CD1 3.28Å; I254-A258 VanDerWaalsContact O-CB 3.26Å; I254-A258 WeakPolarHBondContact O-CB 3.38Å; I254-A258 PolarHBondContact O-N 3.1Å; I254-L266 HydrophobicContact CG2-CD1 3.89Å; I254-L266 HydrophobicContact CG2-CD2 4.09Å; I254-L266 HydrophobicContact CG2-CG 4.1Å
255	R	94.7	Very high	92.5	Very high	20 Å²	20	48.6 Å²	48.6	8%	0.075	28%	0.28	C	S	.	.	H	α-helix	trans	-60	-52.4	172.8	-174.5	-159.1	-177.8	-107	6.8	111.5	C251 L252 G253 F257 A258 D259 L267 A270 D271 H294 D297	C251-R255 VanDerWaalsContact O-CB 3.28Å; C251-R255 WeakPolarHBondContact O-CB 3.25Å; C251-R255 PolarHBondContact O-N 2.79Å; L252-R255 WeakPolarHBondContact O-CB 3.31Å; L252-R255 PolarHBondContact O-N 2.84Å; G253-R255 VanDerWaalsContact C-N 3.34Å; G253-R255 PolarHBondContact O-N 3.34Å; R255-F257 PolarHBondContact O-N 2.97Å; R255-A258 WeakPolarHBondContact O-CB 3.24Å; R255-A258 PolarHBondContact O-N 3.44Å; R255-D259 PolarHBondContact O-N 3.33Å; R255-L267 HydrophobicContact CG-CD1 3.56Å; R255-A270 HydrophobicContact CB-CB 3.91Å; R255-A270 HydrophobicContact CG-CB 4.44Å; R255-D271 IonicContact CZ-OD1 2.74Å; R255-D271 IonicContact NE-OD1 2.79Å; R255-D271 PolarHBondContact NE-OD1 2.86Å; R255-D271 IonicContact NH2-OD1 3.17Å; R255-D271 PolarHBondContact NH2-OD1 2.84Å; R255-H294 PolarHBondContact NH1-CD2 2.67Å; R255-D297 IonicContact CZ-OD2 3.19Å; R255-D297 IonicContact NH1-OD2 3.77Å; R255-D297 IonicContact NH2-OD2 3.5Å; R255-D297 PolarHBondContact NH2-OD2 2.92Å
256	A	93	Very high	92.5	Very high	35 Å²	35	44.4 Å²	44.4	29%	0.289	26%	0.26	S	S	.	.	H	α-helix	trans	-64.1	-39.6	-178	0	0	0	0	0	112.3	L252 G253 D259 T260	L252-A256 WeakPolarHBondContact O-CB 3.3Å; L252-A256 PolarHBondContact O-N 3.07Å; G253-A256 PolarHBondContact O-N 3.21Å; A256-D259 PolarHBondContact O-N 3.39Å; A256-T260 WeakPolarHBondContact O-CB 3.35Å; A256-T260 PolarHBondContact O-N 3.45Å; A256-T260 PolarHBondContact O-OG1 2.92Å
257	F	93.2	Very high	92.6	Very high	43 Å²	43	44.6 Å²	44.6	19%	0.189	26%	0.261	C	S	.	.	H	α-helix	trans	-63.2	-43.1	173.5	-171	-121.2	0	0	0	111.7	Q220 L223 P224 L242 G253 R255 D259 T260 H261	Q220-F257 WeakPolarHBondContact O-CZ 3.18Å; L223-F257 HydrophobicContact CB-CE1 4.09Å; L223-F257 HydrophobicContact CB-CZ 4.13Å; L223-F257 HydrophobicContact CD2-CD1 4.05Å; L223-F257 HydrophobicContact CD2-CE1 3.53Å; L223-F257 HydrophobicContact CD2-CZ 4.19Å; L223-F257 HydrophobicContact CG-CE1 4.33Å; P224-F257 HydrophobicContact CG-CE2 3.96Å; P224-F257 HydrophobicContact CG-CZ 4Å; L242-F257 HydrophobicContact CD1-CD1 3.98Å; L242-F257 HydrophobicContact CD1-CE1 3.88Å; G253-F257 VanDerWaalsContact O-CB 3.3Å; G253-F257 WeakPolarHBondContact O-CB 3.16Å; G253-F257 PolarHBondContact O-N 2.79Å; R255-F257 PolarHBondContact O-N 2.97Å; F257-D259 PolarHBondContact O-N 3.12Å; F257-T260 PolarHBondContact O-N 2.62Å; F257-H261 AromaticContact CD2-CD2 3.57Å; F257-H261 AromaticContact CD2-NE2 3.55Å; F257-H261 AromaticContact CE2-CD2 3.51Å; F257-H261 AromaticContact CE2-NE2 3.34Å; F257-H261 VanDerWaalsContact CE2-NE2 3.34Å; F257-H261 WeakPolarHBondContact CE2-NE2 3.16Å; F257-H261 PolarHBondContact O-CD2 2.71Å; F257-H261 PolarHBondContact O-N 3.43Å; F257-H261 VanDerWaalsContact O-N 3.17Å
258	A	94.5	Very high	92.5	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-63.7	-39.4	176.7	0	0	0	0	0	113	I254 R255 A262 C263 L266 L267	I254-A258 VanDerWaalsContact O-CB 3.26Å; I254-A258 WeakPolarHBondContact O-CB 3.38Å; I254-A258 PolarHBondContact O-N 3.1Å; R255-A258 WeakPolarHBondContact O-CB 3.24Å; R255-A258 PolarHBondContact O-N 3.44Å; A258-A262 PolarHBondContact O-N 3.42Å; A258-C263 HydrophobicContact CB-CB 4.33Å; A258-C263 WeakPolarHBondContact O-CB 3.32Å; A258-C263 PolarHBondContact O-N 2.7Å; A258-L266 HydrophobicContact CB-CB 3.95Å; A258-L266 HydrophobicContact CB-CD2 3.77Å; A258-L266 HydrophobicContact CB-CG 3.72Å; A258-L267 HydrophobicContact CB-CB 4Å
259	D	92.4	Very high	92.3	Very high	83 Å²	83	51.2 Å²	51.2	44%	0.444	28%	0.284	S	S	.	.	H	α-helix	trans	-68.7	-46.8	176.6	-166.9	47.5	0	0	0	111.6	R255 A256 F257 H261 A262 L267	R255-D259 PolarHBondContact O-N 3.33Å; A256-D259 PolarHBondContact O-N 3.39Å; F257-D259 PolarHBondContact O-N 3.12Å; D259-H261 PolarHBondContact O-N 2.98Å; D259-H261 VanDerWaalsContact O-N 3.13Å; D259-A262 PolarHBondContact O-N 2.84Å; D259-L267 HydrophobicContact CB-CD1 4.12Å; D259-L267 HydrophobicContact CB-CD2 4.22Å
260	T	92.2	Very high	92.3	Very high	105 Å²	105	47.6 Å²	47.6	64%	0.644	26%	0.259	S	S	*	.	H	α-helix	trans	-54	-35.6	177.5	-57.4	0	0	0	0	112.6	A256 F257	A256-T260 WeakPolarHBondContact O-CB 3.35Å; A256-T260 PolarHBondContact O-N 3.45Å; A256-T260 PolarHBondContact O-OG1 2.92Å; F257-T260 PolarHBondContact O-N 2.62Å
261	H	91.1	Very high	92.2	Very high	46 Å²	46	46.9 Å²	46.9	21%	0.213	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.5	19.4	178.5	-57.1	-54	0	0	0	113.7	F257 D259 C263	F257-H261 AromaticContact CD2-CD2 3.57Å; F257-H261 AromaticContact CD2-NE2 3.55Å; F257-H261 AromaticContact CE2-CD2 3.51Å; F257-H261 AromaticContact CE2-NE2 3.34Å; F257-H261 VanDerWaalsContact CE2-NE2 3.34Å; F257-H261 WeakPolarHBondContact CE2-NE2 3.16Å; F257-H261 PolarHBondContact O-CD2 2.71Å; F257-H261 PolarHBondContact O-N 3.43Å; F257-H261 VanDerWaalsContact O-N 3.17Å; D259-H261 PolarHBondContact O-N 2.98Å; D259-H261 VanDerWaalsContact O-N 3.13Å; H261-C263 PolarHBondContact O-N 2.87Å; H261-C263 PolarHBondContact O-SG 3.01Å
262	A	90.2	Very high	91.9	Very high	71 Å²	71	55 Å²	55	59%	0.587	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.9	23.4	178.1	0	0	0	0	0	115.3	A258 D259 R264	A258-A262 PolarHBondContact O-N 3.42Å; D259-A262 PolarHBondContact O-N 2.84Å; A262-R264 PolarHBondContact O-N 3.3Å
263	C	91.2	Very high	91.5	Very high	6 Å²	6	56.8 Å²	56.8	4%	0.041	29%	0.293	C	S	.	.			trans	-78.8	62.8	-175.7	-68.8	0	0	0	0	111.6	Q235 A258 H261 G265 L266 L267	Q235-C263 PolarHBondContact NE2-SG 2.95Å; Q235-C263 VanDerWaalsContact NE2-SG 3.38Å; A258-C263 HydrophobicContact CB-CB 4.33Å; A258-C263 WeakPolarHBondContact O-CB 3.32Å; A258-C263 PolarHBondContact O-N 2.7Å; H261-C263 PolarHBondContact O-N 2.87Å; H261-C263 PolarHBondContact O-SG 3.01Å; C263-G265 PolarHBondContact O-N 3Å; C263-L266 HydrophobicContact CB-CB 4.32Å; C263-L266 PolarHBondContact O-N 3.45Å; C263-L267 PolarHBondContact O-N 3.45Å
264	R	90.7	Very high	91.5	Very high	192 Å²	192	55.5 Å²	55.5	73%	0.725	28%	0.279	S	S	*	.	H	α-helix	trans	-52.3	-21.3	-175.7	-64.3	179.4	-177.3	178.3	1.1	115.5	A262 R268	A262-R264 PolarHBondContact O-N 3.3Å; R264-R268 WeakPolarHBondContact O-CG 3.38Å; R264-R268 PolarHBondContact O-NE 2.73Å; R264-R268 VanDerWaalsContact O-NE 3.08Å
265	G	85	Confident	91.2	Very high	41 Å²	41	56.1 Å²	56.1	42%	0.423	28%	0.282	S	S	.	.	H	α-helix	trans	-72.1	-47.7	172.2	0	0	0	0	0	112.6	C263 V269	C263-G265 PolarHBondContact O-N 3Å; G265-V269 WeakPolarHBondContact O-CG2 3.35Å
266	L	93.3	Very high	90.6	Very high	1 Å²	1	57.8 Å²	57.8	1%	0.005	29%	0.292	C	S	.	.	H	α-helix	trans	-70.4	-44	176.7	178.2	62.4	0	0	0	111.2	C239 L242 K243 I254 A258 C263 R268 V269 A270	C239-L266 HydrophobicContact CB-CB 4.3Å; L242-L266 HydrophobicContact CB-CD1 3.87Å; L242-L266 HydrophobicContact CB-CD2 3.83Å; L242-L266 HydrophobicContact CD1-CD2 3.64Å; L242-L266 HydrophobicContact CG-CD2 4.39Å; K243-L266 HydrophobicContact CG-CD1 3.79Å; I254-L266 HydrophobicContact CG2-CD1 3.89Å; I254-L266 HydrophobicContact CG2-CD2 4.09Å; I254-L266 HydrophobicContact CG2-CG 4.1Å; A258-L266 HydrophobicContact CB-CB 3.95Å; A258-L266 HydrophobicContact CB-CD2 3.77Å; A258-L266 HydrophobicContact CB-CG 3.72Å; C263-L266 HydrophobicContact CB-CB 4.32Å; C263-L266 PolarHBondContact O-N 3.45Å; L266-R268 PolarHBondContact O-N 2.93Å; L266-V269 PolarHBondContact O-N 2.8Å; L266-A270 PolarHBondContact O-N 2.78Å
267	L	93	Very high	90.2	Very high	25 Å²	25	57.9 Å²	57.9	13%	0.131	29%	0.288	C	S	.	.	H	α-helix	trans	-52	-53.9	180	179.6	58.6	0	0	0	112.1	R255 A258 D259 C263 V269 A270 D271	R255-L267 HydrophobicContact CG-CD1 3.56Å; A258-L267 HydrophobicContact CB-CB 4Å; D259-L267 HydrophobicContact CB-CD1 4.12Å; D259-L267 HydrophobicContact CB-CD2 4.22Å; C263-L267 PolarHBondContact O-N 3.45Å; L267-V269 PolarHBondContact O-N 3.09Å; L267-A270 PolarHBondContact O-N 3.12Å; L267-A270 VanDerWaalsContact O-N 3.1Å; L267-D271 PolarHBondContact O-N 2.75Å
268	R	89.8	Confident	90.2	Very high	178 Å²	178	55.9 Å²	55.9	67%	0.672	28%	0.279	S	S	*	.	H	α-helix	trans	-61.9	-27.6	179.3	-71.1	-176.4	-65.8	161.9	2.3	114	R264 L266 R272	R264-R268 WeakPolarHBondContact O-CG 3.38Å; R264-R268 PolarHBondContact O-NE 2.73Å; R264-R268 VanDerWaalsContact O-NE 3.08Å; L266-R268 PolarHBondContact O-N 2.93Å; R268-R272 WeakPolarHBondContact O-CB 3.49Å; R268-R272 PolarHBondContact O-N 2.79Å
269	V	87.6	Confident	89.9	Confident	54 Å²	54	58.1 Å²	58.1	33%	0.327	29%	0.291	S	S	.	.	H	α-helix	trans	-78.8	-40.4	175.8	179.3	0	0	0	0	110.3	K243 L246 G265 L266 L267 R272 F273	K243-V269 HydrophobicContact CD-CG2 4.35Å; K243-V269 HydrophobicContact CG-CB 4.36Å; K243-V269 HydrophobicContact CG-CG1 4.21Å; K243-V269 HydrophobicContact CG-CG2 4.49Å; L246-V269 HydrophobicContact CD1-CG1 3.76Å; G265-V269 WeakPolarHBondContact O-CG2 3.35Å; L266-V269 PolarHBondContact O-N 2.8Å; L267-V269 PolarHBondContact O-N 3.09Å; V269-R272 PolarHBondContact O-N 2.8Å; V269-F273 WeakPolarHBondContact O-CB 3.22Å; V269-F273 PolarHBondContact O-N 3.12Å
270	A	94	Very high	89.8	Confident	0 Å²	0	59.8 Å²	59.8	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-65.1	-41	174.2	0	0	0	0	0	112.5	L246 R255 L266 L267 F273 T274	L246-A270 HydrophobicContact CD2-CB 4.12Å; R255-A270 HydrophobicContact CB-CB 3.91Å; R255-A270 HydrophobicContact CG-CB 4.44Å; L266-A270 PolarHBondContact O-N 2.78Å; L267-A270 PolarHBondContact O-N 3.12Å; L267-A270 VanDerWaalsContact O-N 3.1Å; A270-F273 PolarHBondContact O-N 3.13Å; A270-T274 VanDerWaalsContact O-CB 3.32Å; A270-T274 WeakPolarHBondContact O-CB 3.41Å; A270-T274 PolarHBondContact O-N 3.35Å; A270-T274 PolarHBondContact O-OG1 2.99Å
271	D	90.9	Very high	89.9	Confident	33 Å²	33	54.8 Å²	54.8	18%	0.176	27%	0.265	C	S	.	.	H	α-helix	trans	-57.4	-51.8	170.9	-73.4	-46.9	0	0	0	110.8	R255 L267 F273 T274 H275	R255-D271 IonicContact CZ-OD1 2.74Å; R255-D271 IonicContact NE-OD1 2.79Å; R255-D271 PolarHBondContact NE-OD1 2.86Å; R255-D271 IonicContact NH2-OD1 3.17Å; R255-D271 PolarHBondContact NH2-OD1 2.84Å; L267-D271 PolarHBondContact O-N 2.75Å; D271-F273 VanDerWaalsContact C-N 3.29Å; D271-F273 PolarHBondContact O-N 2.78Å; D271-T274 WeakPolarHBondContact O-CB 3.48Å; D271-T274 PolarHBondContact O-N 2.96Å; D271-H275 WeakPolarHBondContact O-CB 3.48Å; D271-H275 PolarHBondContact O-N 3.4Å; D271-H275 PolarHBondContact O-ND1 3.28Å
272	R	87.5	Confident	90	Very high	170 Å²	170	53.2 Å²	53.2	64%	0.642	26%	0.259	S	S	*	.	H	α-helix	trans	-63.3	-36.2	-179.3	-160.9	-176	79	-178.4	3.9	112	R268 V269 L276	R268-R272 WeakPolarHBondContact O-CB 3.49Å; R268-R272 PolarHBondContact O-N 2.79Å; V269-R272 PolarHBondContact O-N 2.8Å; R272-L276 HydrophobicContact CG-CD1 4.15Å; R272-L276 VanDerWaalsContact O-CB 3.28Å; R272-L276 WeakPolarHBondContact O-CB 3.44Å; R272-L276 WeakPolarHBondContact O-CD1 3.32Å; R272-L276 VanDerWaalsContact O-CG 3.24Å; R272-L276 WeakPolarHBondContact O-CG 3.16Å; R272-L276 PolarHBondContact O-N 2.82Å
273	F	88.7	Confident	90.2	Very high	45 Å²	45	55.5 Å²	55.5	20%	0.197	26%	0.257	C	S	.	.	H	α-helix	trans	-68.5	-45.5	175.9	-171.5	-80.8	0	0	0	111.6	L246 D247 P248 C251 V269 A270 D271 H275 L276 N277	L246-F273 HydrophobicContact CB-CD1 4.42Å; L246-F273 HydrophobicContact CB-CD2 3.95Å; L246-F273 HydrophobicContact CB-CE1 4.48Å; L246-F273 HydrophobicContact CB-CE2 4Å; L246-F273 HydrophobicContact CB-CG 4.17Å; L246-F273 HydrophobicContact CB-CZ 4.27Å; L246-F273 HydrophobicContact CD1-CB 4.35Å; L246-F273 HydrophobicContact CD1-CG 4.49Å; L246-F273 WeakPolarHBondContact O-CE2 3.39Å; L246-F273 VanDerWaalsContact O-CZ 3.24Å; L246-F273 WeakPolarHBondContact O-CZ 3.41Å; D247-F273 VanDerWaalsContact C-CE1 3.48Å; P248-F273 HydrophobicContact CG-CE1 4.19Å; P248-F273 HydrophobicContact CG-CZ 4.41Å; C251-F273 HydrophobicContact CB-CD1 3.62Å; C251-F273 HydrophobicContact CB-CE1 4.01Å; V269-F273 WeakPolarHBondContact O-CB 3.22Å; V269-F273 PolarHBondContact O-N 3.12Å; A270-F273 PolarHBondContact O-N 3.13Å; D271-F273 VanDerWaalsContact C-N 3.29Å; D271-F273 PolarHBondContact O-N 2.78Å; F273-H275 VanDerWaalsContact C-N 3.33Å; F273-H275 PolarHBondContact O-N 3Å; F273-L276 PolarHBondContact O-N 3.43Å; F273-N277 WeakPolarHBondContact CD1-ND2 3.41Å; F273-N277 HydrophobicContact CE1-CB 4.43Å; F273-N277 WeakPolarHBondContact CE1-ND2 3.43Å; F273-N277 WeakPolarHBondContact CE2-ND2 3.31Å; F273-N277 WeakPolarHBondContact CZ-ND2 3.29Å; F273-N277 PolarHBondContact O-N 3.1Å; F273-N277 PolarHBondContact O-ND2 2.96Å
274	T	92.9	Very high	90.3	Very high	2 Å²	2	56 Å²	56	1%	0.012	26%	0.261	C	S	.	.	H	α-helix	trans	-55.9	-47.1	173.8	-60.6	0	0	0	0	111.1	L252 A270 D271 F278 V281 I298	L252-T274 HydrophobicContact CD2-CG2 3.67Å; A270-T274 VanDerWaalsContact O-CB 3.32Å; A270-T274 WeakPolarHBondContact O-CB 3.41Å; A270-T274 PolarHBondContact O-N 3.35Å; A270-T274 PolarHBondContact O-OG1 2.99Å; D271-T274 WeakPolarHBondContact O-CB 3.48Å; D271-T274 PolarHBondContact O-N 2.96Å; T274-F278 VanDerWaalsContact O-CA 3.24Å; T274-F278 WeakPolarHBondContact O-CA 3.35Å; T274-F278 PolarHBondContact O-N 3.2Å; T274-F278 VanDerWaalsContact O-N 3.07Å; T274-V281 HydrophobicContact CG2-CG1 4.43Å; T274-I298 HydrophobicContact CG2-CD1 3.89Å; T274-I298 HydrophobicContact CG2-CG1 4.14Å; T274-I298 HydrophobicContact CG2-CG2 4.4Å
275	H	88.4	Confident	90.4	Very high	28 Å²	28	53.6 Å²	53.6	13%	0.13	26%	0.258	C	S	.	.	H	α-helix	trans	-63.6	-46	176.9	-64.2	158.2	0	0	0	112	D271 F273 N277 F278 S301 L304 N305	D271-H275 WeakPolarHBondContact O-CB 3.48Å; D271-H275 PolarHBondContact O-N 3.4Å; D271-H275 PolarHBondContact O-ND1 3.28Å; F273-H275 VanDerWaalsContact C-N 3.33Å; F273-H275 PolarHBondContact O-N 3Å; H275-N277 PolarHBondContact O-N 3.34Å; H275-F278 WeakPolarHBondContact O-CB 3.47Å; H275-S301 PolarHBondContact CE1-OG 2.87Å; H275-S301 PolarHBondContact ND1-OG 3.02Å; H275-S301 WeakPolarHBondContact NE2-CB 3.42Å; H275-S301 PolarHBondContact NE2-OG 2.75Å; H275-L304 HydrophobicContact CB-CD2 4.44Å; H275-N305 WeakPolarHBondContact O-CB 3.28Å; H275-N305 PolarHBondContact O-N 3.48Å
276	L	83.4	Confident	90.8	Very high	55 Å²	55	54.4 Å²	54.4	29%	0.288	25%	0.251	S	S	.	.	H	α-helix	trans	-65	-33.4	-179	-82.9	167	0	0	0	113.9	R272 F273 N305 L395	R272-L276 HydrophobicContact CG-CD1 4.15Å; R272-L276 VanDerWaalsContact O-CB 3.28Å; R272-L276 WeakPolarHBondContact O-CB 3.44Å; R272-L276 WeakPolarHBondContact O-CD1 3.32Å; R272-L276 VanDerWaalsContact O-CG 3.24Å; R272-L276 WeakPolarHBondContact O-CG 3.16Å; R272-L276 PolarHBondContact O-N 2.82Å; F273-L276 PolarHBondContact O-N 3.43Å; L276-N305 VanDerWaalsContact O-CB 3.31Å; L276-N305 WeakPolarHBondContact O-CB 3.05Å; L276-N305 PolarHBondContact O-ND2 2.96Å; L276-L395 HydrophobicContact CD2-CB 4.02Å; L276-L395 HydrophobicContact CD2-CD1 3.63Å; L276-L395 HydrophobicContact CD2-CG 4.47Å; L276-L395 HydrophobicContact CG-CD1 4.1Å
277	N	84.8	Confident	90.9	Very high	37 Å²	37	54.4 Å²	54.4	20%	0.198	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-110.9	20.7	-176.6	-55.4	-51.9	0	0	0	112.2	P248 F273 H275 L279 E280 V281	P248-N277 HydrophobicContact CG-CB 4.11Å; F273-N277 WeakPolarHBondContact CD1-ND2 3.41Å; F273-N277 HydrophobicContact CE1-CB 4.43Å; F273-N277 WeakPolarHBondContact CE1-ND2 3.43Å; F273-N277 WeakPolarHBondContact CE2-ND2 3.31Å; F273-N277 WeakPolarHBondContact CZ-ND2 3.29Å; F273-N277 PolarHBondContact O-N 3.1Å; F273-N277 PolarHBondContact O-ND2 2.96Å; H275-N277 PolarHBondContact O-N 3.34Å; N277-L279 VanDerWaalsContact C-N 3.26Å; N277-L279 PolarHBondContact O-N 3.25Å; N277-E280 PolarHBondContact O-N 3.36Å; N277-V281 HydrophobicContact CB-CG2 4.38Å; N277-V281 PolarHBondContact O-N 3.31Å
278	F	91.5	Very high	91	Very high	1 Å²	1	54.6 Å²	54.6	0%	0.004	25%	0.252	C	S	.	.	H	α-helix	trans	-48	-41.9	-168.6	177.4	-107.3	0	0	0	114.3	T274 H275 E280 V281 V282 F287 I298 L299 L304 I306	T274-F278 VanDerWaalsContact O-CA 3.24Å; T274-F278 WeakPolarHBondContact O-CA 3.35Å; T274-F278 PolarHBondContact O-N 3.2Å; T274-F278 VanDerWaalsContact O-N 3.07Å; H275-F278 WeakPolarHBondContact O-CB 3.47Å; F278-E280 VanDerWaalsContact C-N 3.33Å; F278-E280 PolarHBondContact O-N 3.22Å; F278-V281 PolarHBondContact O-N 3.3Å; F278-V282 HydrophobicContact CD1-CG2 4.24Å; F278-V282 HydrophobicContact CD2-CG2 4.12Å; F278-V282 HydrophobicContact CE1-CG2 3.87Å; F278-V282 HydrophobicContact CE2-CG2 3.74Å; F278-V282 HydrophobicContact CG-CG2 4.37Å; F278-V282 HydrophobicContact CZ-CG2 3.61Å; F278-V282 WeakPolarHBondContact O-CB 3.44Å; F278-V282 VanDerWaalsContact O-CG2 3.22Å; F278-V282 WeakPolarHBondContact O-CG2 3.31Å; F278-V282 PolarHBondContact O-N 2.81Å; F278-F287 HydrophobicContact CE2-CE2 4.23Å; F278-I298 HydrophobicContact CD2-CG2 3.83Å; F278-I298 HydrophobicContact CE2-CG2 3.63Å; F278-L299 HydrophobicContact CZ-CD2 4.28Å; F278-L304 HydrophobicContact CB-CD2 4.41Å; F278-L304 HydrophobicContact CD1-CD1 4.39Å; F278-L304 HydrophobicContact CD2-CD1 4.3Å; F278-L304 HydrophobicContact CD2-CD2 3.8Å; F278-L304 HydrophobicContact CE1-CD1 4.12Å; F278-L304 HydrophobicContact CE2-CD1 4.02Å; F278-L304 HydrophobicContact CE2-CD2 4.23Å; F278-L304 HydrophobicContact CG-CD1 4.47Å; F278-L304 HydrophobicContact CG-CD2 4.07Å; F278-L304 HydrophobicContact CZ-CD1 3.92Å; F278-I306 HydrophobicContact CD1-CG2 3.69Å; F278-I306 HydrophobicContact CE1-CG2 4.05Å
279	L	88.4	Confident	91.2	Very high	48 Å²	48	51.1 Å²	51.1	25%	0.251	25%	0.246	S	C	.	.	H	α-helix	trans	-65.6	-32.3	179.6	-60.3	177.9	0	0	0	113.7	N277 I306 Q311	N277-L279 VanDerWaalsContact C-N 3.26Å; N277-L279 PolarHBondContact O-N 3.25Å; L279-I306 HydrophobicContact CD2-CG2 4.27Å; L279-Q311 VanDerWaalsContact CD1-NE2 3.32Å; L279-Q311 HydrophobicContact CD2-CB 3.92Å; L279-Q311 HydrophobicContact CD2-CG 4.31Å
280	E	90.4	Very high	91.5	Very high	117 Å²	117	49.2 Å²	49.2	55%	0.547	23%	0.234	S	C	.	.	H	α-helix	trans	-80	-37.2	175.2	-65.5	173.7	-120.1	0	0	110.6	P248 N277 F278 V282 E283	P248-E280 HydrophobicContact CB-CB 3.76Å; P248-E280 HydrophobicContact CG-CB 4.05Å; N277-E280 PolarHBondContact O-N 3.36Å; F278-E280 VanDerWaalsContact C-N 3.33Å; F278-E280 PolarHBondContact O-N 3.22Å; E280-V282 VanDerWaalsContact C-N 3.34Å; E280-V282 PolarHBondContact O-N 2.81Å; E280-E283 PolarHBondContact O-N 2.95Å; E280-E283 VanDerWaalsContact O-N 3.14Å
281	V	94.4	Very high	91.5	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-63.2	-39.1	174.3	179.3	0	0	0	0	111.5	P248 C251 L252 T274 N277 F278 E283 S284 F287	P248-V281 HydrophobicContact CB-CG2 4.06Å; C251-V281 VanDerWaalsContact SG-CG2 3.51Å; L252-V281 HydrophobicContact CD1-CG1 3.55Å; L252-V281 HydrophobicContact CD2-CG1 4.1Å; L252-V281 HydrophobicContact CG-CG1 3.79Å; T274-V281 HydrophobicContact CG2-CG1 4.43Å; N277-V281 HydrophobicContact CB-CG2 4.38Å; N277-V281 PolarHBondContact O-N 3.31Å; F278-V281 PolarHBondContact O-N 3.3Å; V281-E283 PolarHBondContact O-N 3.04Å; V281-S284 VanDerWaalsContact O-CB 3.25Å; V281-S284 WeakPolarHBondContact O-CB 3.5Å; V281-S284 PolarHBondContact O-N 3.44Å; V281-S284 PolarHBondContact O-OG 2.89Å; V281-F287 WeakPolarHBondContact O-CB 3.29Å
282	V	94.4	Very high	91.7	Very high	13 Å²	13	52.6 Å²	52.6	8%	0.079	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-23.4	175.5	166.5	0	0	0	0	112.7	F278 E280 F287 R318	F278-V282 HydrophobicContact CD1-CG2 4.24Å; F278-V282 HydrophobicContact CD2-CG2 4.12Å; F278-V282 HydrophobicContact CE1-CG2 3.87Å; F278-V282 HydrophobicContact CE2-CG2 3.74Å; F278-V282 HydrophobicContact CG-CG2 4.37Å; F278-V282 HydrophobicContact CZ-CG2 3.61Å; F278-V282 WeakPolarHBondContact O-CB 3.44Å; F278-V282 VanDerWaalsContact O-CG2 3.22Å; F278-V282 WeakPolarHBondContact O-CG2 3.31Å; F278-V282 PolarHBondContact O-N 2.81Å; E280-V282 VanDerWaalsContact C-N 3.34Å; E280-V282 PolarHBondContact O-N 2.81Å; V282-F287 HydrophobicContact CB-CD1 4.45Å; V282-F287 HydrophobicContact CB-CE1 4.44Å; V282-F287 HydrophobicContact CG1-CD1 4.46Å; V282-F287 HydrophobicContact CG1-CE1 4.23Å; V282-F287 HydrophobicContact CG2-CD1 4.38Å; V282-F287 HydrophobicContact CG2-CD2 4.17Å; V282-F287 HydrophobicContact CG2-CE1 4.07Å; V282-F287 HydrophobicContact CG2-CE2 3.84Å; V282-F287 HydrophobicContact CG2-CG 4.45Å; V282-F287 HydrophobicContact CG2-CZ 3.79Å; V282-R318 VanDerWaalsContact O-CD 3.31Å; V282-R318 WeakPolarHBondContact O-CD 3.31Å; V282-R318 PolarHBondContact O-NE 3.26Å
283	E	93.4	Very high	92	Very high	119 Å²	119	47.5 Å²	47.5	56%	0.556	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.1	-20.3	173.8	-67.8	-58	137.9	0	0	113.7	E280 V281 R318	E280-E283 PolarHBondContact O-N 2.95Å; E280-E283 VanDerWaalsContact O-N 3.14Å; V281-E283 PolarHBondContact O-N 3.04Å; E283-R318 PolarHBondContact O-NH2 2.9Å; E283-R318 VanDerWaalsContact O-NH2 3.15Å; E283-R318 IonicContact OE1-CZ 2.69Å; E283-R318 IonicContact OE1-NH1 2.76Å; E283-R318 PolarHBondContact OE1-NH1 2.86Å; E283-R318 IonicContact OE1-NH2 3.15Å; E283-R318 IonicContact OE2-CZ 2.8Å; E283-R318 IonicContact OE2-NH1 3.75Å; E283-R318 PolarHBondContact OE2-NH1 3.08Å; E283-R318 IonicContact OE2-NH2 3.68Å; E283-R318 PolarHBondContact OE2-NH2 3.44Å
284	S	93.9	Very high	92.2	Very high	16 Å²	16	47.5 Å²	47.5	11%	0.112	25%	0.248	C	C	.	.	S	Bend	trans	-67.4	158.4	-178.4	76.5	0	0	0	0	114.3	V281 F287	V281-S284 VanDerWaalsContact O-CB 3.25Å; V281-S284 WeakPolarHBondContact O-CB 3.5Å; V281-S284 PolarHBondContact O-N 3.44Å; V281-S284 PolarHBondContact O-OG 2.89Å; S284-F287 WeakPolarHBondContact OG-CB 3.22Å; S284-F287 PolarHBondContact OG-N 2.81Å; S284-F287 VanDerWaalsContact OG-N 3.11Å
285	E	92.7	Very high	92.3	Very high	143 Å²	143	47.4 Å²	47.4	67%	0.668	25%	0.247	S	C	*	.	H	α-helix	trans	-72.7	-35.4	170	-172.4	167.2	-165.4	0	0	111.9	F287 L288 L289	E285-F287 PolarHBondContact O-N 2.87Å; E285-L288 WeakPolarHBondContact O-CB 3.39Å; E285-L288 PolarHBondContact O-N 2.85Å; E285-L289 HydrophobicContact CG-CD1 4.2Å; E285-L289 HydrophobicContact CG-CG 4.48Å; E285-L289 WeakPolarHBondContact O-CG 3.39Å; E285-L289 PolarHBondContact O-N 2.88Å; E285-L289 VanDerWaalsContact O-N 3.16Å
286	E	93	Very high	92.6	Very high	58 Å²	58	46.6 Å²	46.6	27%	0.271	24%	0.244	S	C	.	.	H	α-helix	trans	-54	-41.6	175.3	-64.4	-161.5	140.3	0	0	111.6	N250 L252 G253 L288 L289 L290	N250-E286 WeakPolarHBondContact CA-OE2 3.39Å; L252-E286 WeakPolarHBondContact CA-OE2 3.21Å; L252-E286 HydrophobicContact CB-CB 4.05Å; L252-E286 WeakPolarHBondContact CB-OE2 3.33Å; L252-E286 HydrophobicContact CD1-CB 3.91Å; L252-E286 HydrophobicContact CG-CB 4.5Å; L252-E286 PolarHBondContact N-OE2 2.9Å; L252-E286 VanDerWaalsContact N-OE2 3.09Å; G253-E286 WeakPolarHBondContact CA-OE1 3.49Å; G253-E286 VanDerWaalsContact N-CD 3.35Å; G253-E286 PolarHBondContact N-OE1 3.09Å; G253-E286 PolarHBondContact N-OE2 2.89Å; E286-L288 VanDerWaalsContact C-N 3.34Å; E286-L288 PolarHBondContact O-N 2.75Å; E286-L289 PolarHBondContact O-N 3.04Å; E286-L289 VanDerWaalsContact O-N 3.17Å; E286-L290 PolarHBondContact O-N 3.31Å
287	F	96	Very high	93	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-62	-39.4	177.4	-179.5	-94.5	0	0	0	112.5	L252 F278 V281 V282 S284 E285 L289 L290 L295 W319	L252-F287 HydrophobicContact CD1-CB 3.92Å; L252-F287 HydrophobicContact CD1-CD2 4.47Å; F278-F287 HydrophobicContact CE2-CE2 4.23Å; V281-F287 WeakPolarHBondContact O-CB 3.29Å; V282-F287 HydrophobicContact CB-CD1 4.45Å; V282-F287 HydrophobicContact CB-CE1 4.44Å; V282-F287 HydrophobicContact CG1-CD1 4.46Å; V282-F287 HydrophobicContact CG1-CE1 4.23Å; V282-F287 HydrophobicContact CG2-CD1 4.38Å; V282-F287 HydrophobicContact CG2-CD2 4.17Å; V282-F287 HydrophobicContact CG2-CE1 4.07Å; V282-F287 HydrophobicContact CG2-CE2 3.84Å; V282-F287 HydrophobicContact CG2-CG 4.45Å; V282-F287 HydrophobicContact CG2-CZ 3.79Å; S284-F287 WeakPolarHBondContact OG-CB 3.22Å; S284-F287 PolarHBondContact OG-N 2.81Å; S284-F287 VanDerWaalsContact OG-N 3.11Å; E285-F287 PolarHBondContact O-N 2.87Å; F287-L289 VanDerWaalsContact C-N 3.27Å; F287-L289 PolarHBondContact O-N 2.82Å; F287-L290 HydrophobicContact CD2-CD1 3.74Å; F287-L290 HydrophobicContact CE2-CD1 4.19Å; F287-L290 HydrophobicContact CG-CD1 4.41Å; F287-L290 WeakPolarHBondContact O-CB 3.41Å; F287-L290 PolarHBondContact O-N 2.84Å; F287-L295 HydrophobicContact CE2-CD1 3.56Å; F287-L295 HydrophobicContact CZ-CD1 3.58Å; F287-W319 HydrophobicContact CE1-CB 4.23Å; F287-W319 VanDerWaalsContact O-CD1 3.32Å
288	L	94.5	Very high	93.5	Very high	29 Å²	29	45.7 Å²	45.7	15%	0.152	24%	0.239	C	C	.	.	H	α-helix	trans	-67.1	-30.4	177.2	-59.7	-178.1	0	0	0	112.2	E285 E286 R318 H322 R327	E285-L288 WeakPolarHBondContact O-CB 3.39Å; E285-L288 PolarHBondContact O-N 2.85Å; E286-L288 VanDerWaalsContact C-N 3.34Å; E286-L288 PolarHBondContact O-N 2.75Å; L288-R318 HydrophobicContact CD2-CG 3.83Å; L288-H322 HydrophobicContact CD2-CB 4.45Å; L288-H322 PolarHBondContact O-CD2 3.06Å; L288-R327 VanDerWaalsContact O-CZ 3.26Å; L288-R327 PolarHBondContact O-NH1 2.73Å; L288-R327 PolarHBondContact O-NH2 3.22Å
289	L	94.2	Very high	93.6	Very high	106 Å²	106	45.6 Å²	45.6	56%	0.555	24%	0.239	S	C	*	.	H	α-helix	trans	-85	-9.3	-179.4	-62.7	176.5	0	0	0	113.9	E285 E286 F287	E285-L289 HydrophobicContact CG-CD1 4.2Å; E285-L289 HydrophobicContact CG-CG 4.48Å; E285-L289 WeakPolarHBondContact O-CG 3.39Å; E285-L289 PolarHBondContact O-N 2.88Å; E285-L289 VanDerWaalsContact O-N 3.16Å; E286-L289 PolarHBondContact O-N 3.04Å; E286-L289 VanDerWaalsContact O-N 3.17Å; F287-L289 VanDerWaalsContact C-N 3.27Å; F287-L289 PolarHBondContact O-N 2.82Å
290	L	93.9	Very high	93.9	Very high	14 Å²	14	46.1 Å²	46.1	7%	0.073	25%	0.247	C	C	.	.			trans	-52.6	136	-177.8	-78.9	176.1	0	0	0	113.8	L252 E286 F287 H294 L295 I298 W319	L252-L290 HydrophobicContact CB-CD2 4.34Å; L252-L290 HydrophobicContact CD1-CD1 3.88Å; L252-L290 HydrophobicContact CD1-CD2 4.13Å; L252-L290 HydrophobicContact CD1-CG 4.01Å; L252-L290 HydrophobicContact CD2-CD1 4.36Å; L252-L290 HydrophobicContact CD2-CD2 4.34Å; E286-L290 PolarHBondContact O-N 3.31Å; F287-L290 HydrophobicContact CD2-CD1 3.74Å; F287-L290 HydrophobicContact CE2-CD1 4.19Å; F287-L290 HydrophobicContact CG-CD1 4.41Å; F287-L290 WeakPolarHBondContact O-CB 3.41Å; F287-L290 PolarHBondContact O-N 2.84Å; L290-H294 HydrophobicContact CD2-CB 4.06Å; L290-L295 HydrophobicContact CB-CB 4.48Å; L290-L295 HydrophobicContact CD1-CD1 4.45Å; L290-I298 HydrophobicContact CD1-CD1 3.88Å; L290-W319 WeakPolarHBondContact O-CZ2 3.42Å; L290-W319 PolarHBondContact O-NE1 3.05Å
291	P	93.7	Very high	93.9	Very high	71 Å²	71	41.2 Å²	41.2	46%	0.461	23%	0.226	S	C	.	.			trans	-59.5	149.4	162.1	-22.5	34	0	0	0	111.9	S293 H294 L295	P291-S293 PolarHBondContact O-N 2.82Å; P291-H294 PolarHBondContact O-N 2.92Å; P291-L295 PolarHBondContact O-N 2.62Å
292	V	94.8	Very high	93.5	Very high	33 Å²	33	43 Å²	43	20%	0.2	24%	0.235	C	C	.	.	H	α-helix	trans	-58.7	-33.4	-178.4	66.8	0	0	0	0	113	V296 W319 Y330 L334	V292-V296 WeakPolarHBondContact O-CB 3.29Å; V292-V296 VanDerWaalsContact O-CG2 3.29Å; V292-V296 WeakPolarHBondContact O-CG2 3.5Å; V292-V296 PolarHBondContact O-N 3.48Å; V292-W319 HydrophobicContact CB-CH2 4Å; V292-W319 HydrophobicContact CB-CZ2 4.3Å; V292-W319 HydrophobicContact CG2-CH2 4.21Å; V292-Y330 HydrophobicContact CB-CG 4.49Å; V292-Y330 HydrophobicContact CG1-CD1 4.26Å; V292-Y330 HydrophobicContact CG1-CE1 4.23Å; V292-Y330 HydrophobicContact CG2-CD1 4.04Å; V292-Y330 HydrophobicContact CG2-CG 3.91Å; V292-L334 HydrophobicContact CG2-CD2 4.23Å; V292-L334 HydrophobicContact CG2-CG 4.4Å
293	S	93.6	Very high	92.9	Very high	62 Å²	62	44.8 Å²	44.8	43%	0.434	24%	0.244	S	C	.	.	H	α-helix	trans	-60.9	-53.5	174.9	46.9	0	0	0	0	112.2	P291 L295 V296 D297	P291-S293 PolarHBondContact O-N 2.82Å; S293-L295 VanDerWaalsContact C-N 3.31Å; S293-L295 PolarHBondContact O-N 3.5Å; S293-V296 CarbonylContact O-C 3.48Å; S293-V296 WeakPolarHBondContact O-CA 3.32Å; S293-V296 WeakPolarHBondContact O-CB 3.45Å; S293-V296 PolarHBondContact O-N 3.48Å; S293-V296 VanDerWaalsContact O-N 3.08Å; S293-D297 PolarHBondContact O-N 3.43Å
294	H	92.8	Very high	92.6	Very high	45 Å²	45	39.1 Å²	39.1	21%	0.208	22%	0.217	C	C	.	.	H	α-helix	trans	-67	-33.5	-179.2	-62.4	173.6	0	0	0	112.1	R255 L290 P291 D297 I298	R255-H294 PolarHBondContact NH1-CD2 2.67Å; L290-H294 HydrophobicContact CD2-CB 4.06Å; P291-H294 PolarHBondContact O-N 2.92Å; H294-D297 IonicContact CD2-OD2 3.98Å; H294-D297 PolarHBondContact O-N 3.08Å; H294-I298 WeakPolarHBondContact O-CD1 3.46Å; H294-I298 VanDerWaalsContact O-CG1 3.29Å; H294-I298 WeakPolarHBondContact O-CG1 3.48Å; H294-I298 PolarHBondContact O-N 3.32Å
295	L	95.5	Very high	91.8	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-64.9	-40.6	171.3	-179.4	60.1	0	0	0	111.3	F287 L290 P291 S293 I298 L299 W319 L334	F287-L295 HydrophobicContact CE2-CD1 3.56Å; F287-L295 HydrophobicContact CZ-CD1 3.58Å; L290-L295 HydrophobicContact CB-CB 4.48Å; L290-L295 HydrophobicContact CD1-CD1 4.45Å; P291-L295 PolarHBondContact O-N 2.62Å; S293-L295 VanDerWaalsContact C-N 3.31Å; S293-L295 PolarHBondContact O-N 3.5Å; L295-I298 PolarHBondContact O-N 2.97Å; L295-L299 HydrophobicContact CD1-CD1 3.82Å; L295-L299 HydrophobicContact CD1-CD2 4.49Å; L295-L299 HydrophobicContact CD1-CG 3.9Å; L295-L299 HydrophobicContact CD2-CD1 4.28Å; L295-L299 HydrophobicContact CG-CD1 3.65Å; L295-L299 HydrophobicContact CG-CG 4.18Å; L295-L299 WeakPolarHBondContact O-CB 3.34Å; L295-L299 WeakPolarHBondContact O-CG 3.43Å; L295-L299 PolarHBondContact O-N 3.34Å; L295-W319 HydrophobicContact CD2-CB 4Å; L295-W319 HydrophobicContact CD2-CD2 3.37Å; L295-W319 HydrophobicContact CD2-CE3 3.81Å; L295-W319 HydrophobicContact CD2-CG 3.46Å; L295-W319 VanDerWaalsContact CD2-CG 3.46Å; L295-W319 HydrophobicContact CD2-CZ2 4.32Å; L295-W319 HydrophobicContact CD2-CZ3 4.45Å; L295-L334 HydrophobicContact CB-CD2 4.46Å; L295-L334 HydrophobicContact CD2-CD1 4.21Å; L295-L334 HydrophobicContact CD2-CD2 3.66Å; L295-L334 HydrophobicContact CG-CD2 3.85Å
296	V	95.3	Very high	91.2	Very high	12 Å²	12	32.3 Å²	32.3	7%	0.073	18%	0.184	C	C	.	.	H	α-helix	trans	-65.5	-41.1	174.8	163.3	0	0	0	0	112.2	V292 S293 I298 L299 S300 Y333 L334	V292-V296 WeakPolarHBondContact O-CB 3.29Å; V292-V296 VanDerWaalsContact O-CG2 3.29Å; V292-V296 WeakPolarHBondContact O-CG2 3.5Å; V292-V296 PolarHBondContact O-N 3.48Å; S293-V296 CarbonylContact O-C 3.48Å; S293-V296 WeakPolarHBondContact O-CA 3.32Å; S293-V296 WeakPolarHBondContact O-CB 3.45Å; S293-V296 PolarHBondContact O-N 3.48Å; S293-V296 VanDerWaalsContact O-N 3.08Å; V296-I298 VanDerWaalsContact C-N 3.31Å; V296-I298 PolarHBondContact O-N 2.89Å; V296-L299 PolarHBondContact O-N 2.88Å; V296-S300 VanDerWaalsContact O-CB 3.22Å; V296-S300 WeakPolarHBondContact O-CB 3.45Å; V296-S300 PolarHBondContact O-N 2.75Å; V296-S300 PolarHBondContact O-OG 2.9Å; V296-Y333 HydrophobicContact CG1-CE1 4.36Å; V296-Y333 HydrophobicContact CG2-CD1 4.01Å; V296-Y333 HydrophobicContact CG2-CE1 3.74Å; V296-L334 HydrophobicContact CG2-CD2 3.76Å
297	D	92.8	Very high	90.1	Very high	71 Å²	71	33.6 Å²	33.6	38%	0.38	19%	0.193	S	C	.	.	H	α-helix	trans	-51.2	-54	173.2	-64.8	-23	0	0	0	110.3	R255 S293 H294 S300 S301	R255-D297 IonicContact CZ-OD2 3.19Å; R255-D297 IonicContact NH1-OD2 3.77Å; R255-D297 IonicContact NH2-OD2 3.5Å; R255-D297 PolarHBondContact NH2-OD2 2.92Å; S293-D297 PolarHBondContact O-N 3.43Å; H294-D297 IonicContact CD2-OD2 3.98Å; H294-D297 PolarHBondContact O-N 3.08Å; D297-S300 PolarHBondContact O-N 3.15Å; D297-S300 PolarHBondContact O-OG 3.02Å; D297-S301 PolarHBondContact O-N 3.28Å
298	I	94.2	Very high	89.5	Confident	1 Å²	1	35.3 Å²	35.3	1%	0.005	21%	0.205	C	C	.	.	H	α-helix	trans	-63.2	-51.7	-179.1	-64.6	165.1	0	0	0	110.4	L252 T274 F278 L290 H294 L295 V296 S300 S301 L304	L252-I298 HydrophobicContact CD2-CD1 3.75Å; T274-I298 HydrophobicContact CG2-CD1 3.89Å; T274-I298 HydrophobicContact CG2-CG1 4.14Å; T274-I298 HydrophobicContact CG2-CG2 4.4Å; F278-I298 HydrophobicContact CD2-CG2 3.83Å; F278-I298 HydrophobicContact CE2-CG2 3.63Å; L290-I298 HydrophobicContact CD1-CD1 3.88Å; H294-I298 WeakPolarHBondContact O-CD1 3.46Å; H294-I298 VanDerWaalsContact O-CG1 3.29Å; H294-I298 WeakPolarHBondContact O-CG1 3.48Å; H294-I298 PolarHBondContact O-N 3.32Å; L295-I298 PolarHBondContact O-N 2.97Å; V296-I298 VanDerWaalsContact C-N 3.31Å; V296-I298 PolarHBondContact O-N 2.89Å; I298-S300 VanDerWaalsContact C-N 3.3Å; I298-S300 PolarHBondContact O-N 3.01Å; I298-S301 WeakPolarHBondContact O-CB 3.49Å; I298-S301 PolarHBondContact O-N 2.98Å; I298-S301 VanDerWaalsContact O-N 3.1Å; I298-L304 HydrophobicContact CG2-CD2 3.76Å; I298-L304 WeakPolarHBondContact O-CD1 3.29Å; I298-L304 WeakPolarHBondContact O-CD2 3.25Å; I298-L304 WeakPolarHBondContact O-CG 3.21Å
299	L	94.7	Very high	89.3	Confident	0 Å²	0	34.5 Å²	34.5	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-65.5	-28.9	-177.9	-69.2	173.4	0	0	0	113.6	F278 L295 V296 S301 V312 V316 L334 H337 R392	F278-L299 HydrophobicContact CZ-CD2 4.28Å; L295-L299 HydrophobicContact CD1-CD1 3.82Å; L295-L299 HydrophobicContact CD1-CD2 4.49Å; L295-L299 HydrophobicContact CD1-CG 3.9Å; L295-L299 HydrophobicContact CD2-CD1 4.28Å; L295-L299 HydrophobicContact CG-CD1 3.65Å; L295-L299 HydrophobicContact CG-CG 4.18Å; L295-L299 WeakPolarHBondContact O-CB 3.34Å; L295-L299 WeakPolarHBondContact O-CG 3.43Å; L295-L299 PolarHBondContact O-N 3.34Å; V296-L299 PolarHBondContact O-N 2.88Å; L299-S301 PolarHBondContact O-N 3.23Å; L299-V312 HydrophobicContact CD2-CG1 3.55Å; L299-V316 HydrophobicContact CD1-CG2 3.52Å; L299-V316 HydrophobicContact CD2-CG2 4.01Å; L299-V316 HydrophobicContact CG-CG2 4.45Å; L299-L334 HydrophobicContact CD1-CD2 3.7Å; L299-H337 HydrophobicContact CB-CB 3.83Å; L299-R392 PolarHBondContact O-NH1 3.4Å
300	S	93.5	Very high	89.1	Confident	59 Å²	59	31.6 Å²	31.6	41%	0.413	18%	0.184	S	C	.	.	H	α-helix	trans	-68.1	-27.4	175.4	78.3	0	0	0	0	112.4	V296 D297 I298 D302 R339	V296-S300 VanDerWaalsContact O-CB 3.22Å; V296-S300 WeakPolarHBondContact O-CB 3.45Å; V296-S300 PolarHBondContact O-N 2.75Å; V296-S300 PolarHBondContact O-OG 2.9Å; D297-S300 PolarHBondContact O-N 3.15Å; D297-S300 PolarHBondContact O-OG 3.02Å; I298-S300 VanDerWaalsContact C-N 3.3Å; I298-S300 PolarHBondContact O-N 3.01Å; S300-D302 PolarHBondContact O-N 3.23Å; S300-R339 PolarHBondContact O-NH2 3.42Å
301	S	91	Very high	89	Confident	14 Å²	14	33.5 Å²	33.5	10%	0.098	19%	0.193	C	C	.	.			trans	-56.5	126.4	-170.4	-175	0	0	0	0	113	H275 D297 I298 L299 D303 R392	H275-S301 PolarHBondContact CE1-OG 2.87Å; H275-S301 PolarHBondContact ND1-OG 3.02Å; H275-S301 WeakPolarHBondContact NE2-CB 3.42Å; H275-S301 PolarHBondContact NE2-OG 2.75Å; D297-S301 PolarHBondContact O-N 3.28Å; I298-S301 WeakPolarHBondContact O-CB 3.49Å; I298-S301 PolarHBondContact O-N 2.98Å; I298-S301 VanDerWaalsContact O-N 3.1Å; L299-S301 PolarHBondContact O-N 3.23Å; S301-D303 PolarHBondContact O-N 3.27Å; S301-D303 PolarHBondContact OG-N 2.7Å; S301-D303 VanDerWaalsContact OG-N 3.11Å; S301-R392 PolarHBondContact O-NH1 2.87Å
302	D	85.5	Confident	89	Confident	37 Å²	37	30.1 Å²	30.1	20%	0.198	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-17.8	166.6	-96.9	-12.7	0	0	0	112.5	S300 R339 K390 R392 K393	S300-D302 PolarHBondContact O-N 3.23Å; D302-R339 IonicContact OD1-CZ 2.68Å; D302-R339 VanDerWaalsContact OD1-CZ 3.26Å; D302-R339 IonicContact OD1-NH1 3.48Å; D302-R339 PolarHBondContact OD1-NH1 3.33Å; D302-R339 IonicContact OD1-NH2 3.54Å; D302-R339 PolarHBondContact OD1-NH2 2.62Å; D302-K390 IonicContact OD1-NZ 3.26Å; D302-K390 WeakPolarHBondContact OD2-CE 3.44Å; D302-K390 IonicContact OD2-NZ 2.67Å; D302-K390 PolarHBondContact OD2-NZ 2.86Å; D302-R392 CarbonylContact O-C 3.57Å; D302-R392 WeakPolarHBondContact O-CA 3.39Å; D302-R392 WeakPolarHBondContact O-CB 3.26Å; D302-K393 HydrophobicContact CB-CG 4.42Å; D302-K393 PolarHBondContact O-N 2.99Å
303	D	82.8	Confident	89.1	Confident	50 Å²	50	28.8 Å²	28.8	27%	0.267	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.3	11.2	-169.8	-66	-56.3	0	0	0	113.6	S301 N305 K393 L395	S301-D303 PolarHBondContact O-N 3.27Å; S301-D303 PolarHBondContact OG-N 2.7Å; S301-D303 VanDerWaalsContact OG-N 3.11Å; D303-N305 PolarHBondContact O-N 3.09Å; D303-K393 VanDerWaalsContact OD1-CD 3.27Å; D303-K393 WeakPolarHBondContact OD1-CD 3.36Å; D303-K393 WeakPolarHBondContact OD1-CE 3.38Å; D303-K393 IonicContact OD1-NZ 2.99Å; D303-K393 PolarHBondContact OD1-NZ 2.76Å; D303-K393 IonicContact OD2-NZ 2.71Å; D303-K393 PolarHBondContact OD2-NZ 3.02Å; D303-L395 HydrophobicContact CB-CD1 4.3Å; D303-L395 WeakPolarHBondContact O-CD1 3.42Å
304	L	86.2	Confident	89.2	Confident	0 Å²	0	32.2 Å²	32.2	0%	0	17%	0.167	C	C	.	.			trans	-62.1	131.2	175.3	-67.2	-169.8	0	0	0	112.1	H275 F278 I298 I306	H275-L304 HydrophobicContact CB-CD2 4.44Å; F278-L304 HydrophobicContact CB-CD2 4.41Å; F278-L304 HydrophobicContact CD1-CD1 4.39Å; F278-L304 HydrophobicContact CD2-CD1 4.3Å; F278-L304 HydrophobicContact CD2-CD2 3.8Å; F278-L304 HydrophobicContact CE1-CD1 4.12Å; F278-L304 HydrophobicContact CE2-CD1 4.02Å; F278-L304 HydrophobicContact CE2-CD2 4.23Å; F278-L304 HydrophobicContact CG-CD1 4.47Å; F278-L304 HydrophobicContact CG-CD2 4.07Å; F278-L304 HydrophobicContact CZ-CD1 3.92Å; I298-L304 HydrophobicContact CG2-CD2 3.76Å; I298-L304 WeakPolarHBondContact O-CD1 3.29Å; I298-L304 WeakPolarHBondContact O-CD2 3.25Å; I298-L304 WeakPolarHBondContact O-CG 3.21Å; L304-I306 HydrophobicContact CB-CG2 4.4Å; L304-I306 PolarHBondContact O-N 2.86Å
305	N	77.4	Confident	89.4	Confident	4 Å²	4	30.1 Å²	30.1	2%	0.021	16%	0.157	C	C	.	.			trans	-88.2	94.4	-176.8	-149.4	0.7	0	0	0	111.2	H275 L276 D303 L395 Q396	H275-N305 WeakPolarHBondContact O-CB 3.28Å; H275-N305 PolarHBondContact O-N 3.48Å; L276-N305 VanDerWaalsContact O-CB 3.31Å; L276-N305 WeakPolarHBondContact O-CB 3.05Å; L276-N305 PolarHBondContact O-ND2 2.96Å; D303-N305 PolarHBondContact O-N 3.09Å; N305-L395 HydrophobicContact CB-CB 4.35Å; N305-L395 WeakPolarHBondContact OD1-CB 3.38Å; N305-Q396 VanDerWaalsContact ND2-CG 3.3Å; N305-Q396 WeakPolarHBondContact ND2-CG 3.36Å; N305-Q396 PolarHBondContact ND2-NE2 3.04Å; N305-Q396 WeakPolarHBondContact OD1-CA 3.44Å; N305-Q396 WeakPolarHBondContact OD1-CB 3.35Å; N305-Q396 WeakPolarHBondContact OD1-CG 3.35Å; N305-Q396 PolarHBondContact OD1-N 3.1Å
306	I	79	Confident	89.4	Confident	12 Å²	12	30.1 Å²	30.1	6%	0.062	16%	0.157	C	C	.	.			trans	-137.1	156.4	-174	61.1	177.3	0	0	0	111.2	F278 L279 L304 E309 V312	F278-I306 HydrophobicContact CD1-CG2 3.69Å; F278-I306 HydrophobicContact CE1-CG2 4.05Å; L279-I306 HydrophobicContact CD2-CG2 4.27Å; L304-I306 HydrophobicContact CB-CG2 4.4Å; L304-I306 PolarHBondContact O-N 2.86Å; I306-E309 WeakPolarHBondContact CD1-OE1 3.25Å; I306-V312 HydrophobicContact CD1-CG2 3.38Å; I306-V312 HydrophobicContact CG2-CG2 4.06Å
307	N	71.6	Confident	89.5	Confident	85 Å²	85	30.1 Å²	30.1	46%	0.455	16%	0.157	S	C	.	.	S	Bend	trans	-95.8	-21.1	172.4	-56.5	-29.8	0	0	0	111.9	P685	N307-P685 VanDerWaalsContact OD1-CG 3.23Å; N307-P685 WeakPolarHBondContact OD1-CG 3.17Å
308	S	82.2	Confident	89.6	Confident	37 Å²	37	30.8 Å²	30.8	26%	0.259	15%	0.154	S	C	.	.			trans	-160.2	147	178.2	179.3	0	0	0	0	111.1	E310 Q311	S308-E310 PolarHBondContact O-N 2.81Å; S308-E310 VanDerWaalsContact O-N 3.14Å; S308-E310 WeakPolarHBondContact OG-CB 3.44Å; S308-E310 VanDerWaalsContact OG-CG 3.31Å; S308-E310 WeakPolarHBondContact OG-CG 3.37Å; S308-E310 PolarHBondContact OG-N 3.21Å; S308-Q311 WeakPolarHBondContact O-CB 3.38Å; S308-Q311 PolarHBondContact O-N 3.43Å
309	E	90.2	Very high	89.7	Confident	11 Å²	11	31 Å²	31	5%	0.051	15%	0.154	C	C	.	.	H	α-helix	trans	-60.5	-17.6	169.4	-68.3	-70.5	144.6	0	0	112.6	I306 Q311 V312 Y313 R339 L342 L343 R392	I306-E309 WeakPolarHBondContact CD1-OE1 3.25Å; E309-Q311 PolarHBondContact O-N 3.07Å; E309-V312 WeakPolarHBondContact O-CA 3.3Å; E309-V312 WeakPolarHBondContact O-CB 3.48Å; E309-V312 PolarHBondContact O-N 3.32Å; E309-Y313 PolarHBondContact O-N 3.09Å; E309-R339 VanDerWaalsContact CD-CB 3.5Å; E309-R339 HydrophobicContact CG-CB 3.85Å; E309-R339 WeakPolarHBondContact OE2-CB 3.41Å; E309-R339 PolarHBondContact OE2-N 3.03Å; E309-L342 HydrophobicContact CG-CB 4.27Å; E309-L343 VanDerWaalsContact C-CD2 3.45Å; E309-L343 HydrophobicContact CB-CD2 3.67Å; E309-L343 HydrophobicContact CB-CG 4.37Å; E309-R392 IonicContact OE1-CZ 3.63Å; E309-R392 IonicContact OE1-NE 2.71Å; E309-R392 PolarHBondContact OE1-NE 3.38Å; E309-R392 IonicContact OE1-NH2 2.75Å; E309-R392 PolarHBondContact OE1-NH2 2.76Å; E309-R392 IonicContact OE2-CZ 2.7Å; E309-R392 IonicContact OE2-NE 3.1Å; E309-R392 IonicContact OE2-NH2 3.28Å; E309-R392 PolarHBondContact OE2-NH2 2.93Å
310	E	91.2	Very high	89.8	Confident	45 Å²	45	31 Å²	31	21%	0.21	15%	0.154	C	C	.	.	H	α-helix	trans	-57.7	-34	171.5	-64.3	176.8	-177	0	0	110.8	S308 Y314 L343 S344 F347	S308-E310 PolarHBondContact O-N 2.81Å; S308-E310 VanDerWaalsContact O-N 3.14Å; S308-E310 WeakPolarHBondContact OG-CB 3.44Å; S308-E310 VanDerWaalsContact OG-CG 3.31Å; S308-E310 WeakPolarHBondContact OG-CG 3.37Å; S308-E310 PolarHBondContact OG-N 3.21Å; E310-Y314 WeakPolarHBondContact O-CD2 3.46Å; E310-Y314 PolarHBondContact O-N 3.23Å; E310-L343 HydrophobicContact CB-CD2 4.25Å; E310-L343 HydrophobicContact CG-CD2 3.56Å; E310-L343 VanDerWaalsContact N-CD2 3.31Å; E310-S344 WeakPolarHBondContact OE1-CB 3.27Å; E310-S344 PolarHBondContact OE1-N 3.24Å; E310-S344 PolarHBondContact OE1-OG 3.24Å; E310-F347 HydrophobicContact CB-CD1 4.47Å; E310-F347 HydrophobicContact CB-CD2 4.06Å; E310-F347 HydrophobicContact CB-CE1 4.21Å; E310-F347 HydrophobicContact CB-CE2 3.77Å; E310-F347 HydrophobicContact CB-CG 4.4Å; E310-F347 HydrophobicContact CB-CZ 3.85Å; E310-F347 VanDerWaalsContact CD-CD2 3.43Å; E310-F347 HydrophobicContact CG-CB 4.08Å; E310-F347 HydrophobicContact CG-CD1 3.78Å; E310-F347 HydrophobicContact CG-CD2 3.61Å; E310-F347 HydrophobicContact CG-CE1 4.01Å; E310-F347 HydrophobicContact CG-CE2 3.85Å; E310-F347 HydrophobicContact CG-CG 3.57Å; E310-F347 HydrophobicContact CG-CZ 4.04Å; E310-F347 WeakPolarHBondContact OE1-CB 3.35Å
311	Q	90.3	Very high	89.8	Confident	55 Å²	55	33.6 Å²	33.6	26%	0.257	16%	0.16	S	C	.	.	H	α-helix	trans	-71.7	-34.7	174.6	-57.4	178.5	-72.6	0	0	112.2	L279 S308 E309 Y314 S315	L279-Q311 VanDerWaalsContact CD1-NE2 3.32Å; L279-Q311 HydrophobicContact CD2-CB 3.92Å; L279-Q311 HydrophobicContact CD2-CG 4.31Å; S308-Q311 WeakPolarHBondContact O-CB 3.38Å; S308-Q311 PolarHBondContact O-N 3.43Å; E309-Q311 PolarHBondContact O-N 3.07Å; Q311-Y314 PolarHBondContact O-N 2.87Å; Q311-S315 PolarHBondContact O-N 3.26Å
312	V	94.9	Very high	90	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-67.1	-45.5	174.7	-170.9	0	0	0	0	109.7	L299 I306 E309 Y314 S315 V316 V338	L299-V312 HydrophobicContact CD2-CG1 3.55Å; I306-V312 HydrophobicContact CD1-CG2 3.38Å; I306-V312 HydrophobicContact CG2-CG2 4.06Å; E309-V312 WeakPolarHBondContact O-CA 3.3Å; E309-V312 WeakPolarHBondContact O-CB 3.48Å; E309-V312 PolarHBondContact O-N 3.32Å; V312-Y314 PolarHBondContact O-N 2.84Å; V312-S315 PolarHBondContact O-N 3.41Å; V312-S315 VanDerWaalsContact O-N 3.14Å; V312-S315 PolarHBondContact O-OG 3.18Å; V312-V316 PolarHBondContact O-N 2.98Å; V312-V338 HydrophobicContact CB-CG1 4.45Å; V312-V338 HydrophobicContact CG1-CG2 4.15Å
313	Y	96.6	Very high	90.4	Very high	4 Å²	4	38.3 Å²	38.3	2%	0.016	18%	0.181	C	C	.	.	H	α-helix	trans	-55.6	-48.6	172.2	-178.5	-96.4	0	0	0	111.6	E309 S315 V316 M317 L335 F347 T351 V352 V358	E309-Y313 PolarHBondContact O-N 3.09Å; Y313-S315 VanDerWaalsContact C-N 3.32Å; Y313-S315 PolarHBondContact O-N 2.96Å; Y313-V316 PolarHBondContact O-N 3.25Å; Y313-M317 HydrophobicContact CD1-CG 4.04Å; Y313-M317 HydrophobicContact CD2-CG 4.47Å; Y313-M317 HydrophobicContact CE1-CG 3.62Å; Y313-M317 HydrophobicContact CE2-CG 4.07Å; Y313-M317 HydrophobicContact CE2-SD 4.25Å; Y313-M317 HydrophobicContact CG-CG 4.46Å; Y313-M317 WeakPolarHBondContact O-CG 3.23Å; Y313-M317 PolarHBondContact O-N 2.86Å; Y313-L335 HydrophobicContact CD2-CD1 3.91Å; Y313-L335 HydrophobicContact CE2-CD1 3.93Å; Y313-F347 AromaticContact CD1-CE1 3.65Å; Y313-F347 HydrophobicContact CD1-CE1 3.65Å; Y313-F347 AromaticContact CD1-CZ 3.75Å; Y313-F347 HydrophobicContact CD1-CZ 3.75Å; Y313-F347 HydrophobicContact CE1-CE1 4.27Å; Y313-F347 HydrophobicContact CE1-CZ 4.43Å; Y313-F347 AromaticContact CG-CE1 3.99Å; Y313-F347 HydrophobicContact CG-CE1 3.99Å; Y313-F347 HydrophobicContact CG-CZ 4.41Å; Y313-T351 HydrophobicContact CE1-CG2 4.33Å; Y313-V352 HydrophobicContact CD1-CG2 4.39Å; Y313-V352 HydrophobicContact CD2-CG1 4.39Å; Y313-V352 HydrophobicContact CD2-CG2 4Å; Y313-V352 HydrophobicContact CE1-CG2 4.21Å; Y313-V352 HydrophobicContact CE2-CB 4.27Å; Y313-V352 HydrophobicContact CE2-CG1 3.74Å; Y313-V352 HydrophobicContact CE2-CG2 3.82Å; Y313-V352 HydrophobicContact CG-CG2 4.29Å; Y313-V358 HydrophobicContact CE2-CG2 4.47Å
314	Y	95.7	Very high	90.8	Very high	135 Å²	135	39 Å²	39	53%	0.529	18%	0.184	S	C	.	.	H	α-helix	trans	-60.5	-37.8	176.3	-75.6	-53.4	0	0	0	113	E310 Q311 V312 M317 R318 F347	E310-Y314 WeakPolarHBondContact O-CD2 3.46Å; E310-Y314 PolarHBondContact O-N 3.23Å; Q311-Y314 PolarHBondContact O-N 2.87Å; V312-Y314 PolarHBondContact O-N 2.84Å; Y314-M317 PolarHBondContact O-N 3Å; Y314-R318 VanDerWaalsContact O-CB 3.31Å; Y314-R318 WeakPolarHBondContact O-CB 3.48Å; Y314-R318 PolarHBondContact O-N 3.28Å; Y314-F347 HydrophobicContact CD2-CZ 4.36Å; Y314-F347 HydrophobicContact CE1-CE2 4.5Å; Y314-F347 HydrophobicContact CE1-CZ 4.33Å; Y314-F347 AromaticContact CE2-CE2 3.63Å; Y314-F347 HydrophobicContact CE2-CE2 3.63Å; Y314-F347 AromaticContact CE2-CZ 3.85Å; Y314-F347 HydrophobicContact CE2-CZ 3.85Å; Y314-F347 AromaticContact CZ-CE2 3.62Å; Y314-F347 AromaticContact CZ-CZ 3.83Å; Y314-F347 WeakPolarHBondContact OH-CE2 3.33Å
315	S	96.1	Very high	91.1	Very high	1 Å²	1	44 Å²	44	1%	0.007	22%	0.219	C	C	.	.	H	α-helix	trans	-63.9	-43	176.2	76.5	0	0	0	0	112.8	Q311 V312 Y313 R318 W319	Q311-S315 PolarHBondContact O-N 3.26Å; V312-S315 PolarHBondContact O-N 3.41Å; V312-S315 VanDerWaalsContact O-N 3.14Å; V312-S315 PolarHBondContact O-OG 3.18Å; Y313-S315 VanDerWaalsContact C-N 3.32Å; Y313-S315 PolarHBondContact O-N 2.96Å; S315-R318 PolarHBondContact O-N 2.72Å; S315-W319 PolarHBondContact O-N 3.32Å
316	V	97.1	Very high	91.9	Very high	0 Å²	0	49 Å²	49	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-61	-47.2	174.3	170.4	0	0	0	0	110.4	L299 V312 Y313 R318 W319 M320 L331 L334 V338	L299-V316 HydrophobicContact CD1-CG2 3.52Å; L299-V316 HydrophobicContact CD2-CG2 4.01Å; L299-V316 HydrophobicContact CG-CG2 4.45Å; V312-V316 PolarHBondContact O-N 2.98Å; Y313-V316 PolarHBondContact O-N 3.25Å; V316-R318 PolarHBondContact O-N 3.28Å; V316-W319 PolarHBondContact O-N 3.49Å; V316-M320 VanDerWaalsContact O-CB 3.28Å; V316-M320 WeakPolarHBondContact O-CB 3.49Å; V316-M320 PolarHBondContact O-N 3.49Å; V316-L331 HydrophobicContact CG1-CD1 4.3Å; V316-L334 HydrophobicContact CG1-CB 3.85Å; V316-L334 HydrophobicContact CG1-CD1 4.46Å; V316-L334 HydrophobicContact CG2-CB 4.43Å; V316-V338 HydrophobicContact CG2-CG2 3.82Å
317	M	95.9	Very high	92.6	Very high	12 Å²	12	49.8 Å²	49.8	6%	0.059	25%	0.248	C	C	.	.	H	α-helix	trans	-69.3	-32.5	-179.1	-61.9	-55.7	-77.5	0	0	112.4	Y313 Y314 M320 H321 L331 D355 L357	Y313-M317 HydrophobicContact CD1-CG 4.04Å; Y313-M317 HydrophobicContact CD2-CG 4.47Å; Y313-M317 HydrophobicContact CE1-CG 3.62Å; Y313-M317 HydrophobicContact CE2-CG 4.07Å; Y313-M317 HydrophobicContact CE2-SD 4.25Å; Y313-M317 HydrophobicContact CG-CG 4.46Å; Y313-M317 WeakPolarHBondContact O-CG 3.23Å; Y313-M317 PolarHBondContact O-N 2.86Å; Y314-M317 PolarHBondContact O-N 3Å; M317-M320 PolarHBondContact O-N 2.75Å; M317-H321 PolarHBondContact O-N 3.1Å; M317-H321 PolarHBondContact O-ND1 2.81Å; M317-L331 HydrophobicContact SD-CD1 4.05Å; M317-D355 WeakPolarHBondContact CE-OD2 3.38Å; M317-L357 HydrophobicContact CE-CD1 4.04Å
318	R	95.6	Very high	93.7	Very high	85 Å²	85	51.7 Å²	51.7	32%	0.321	25%	0.249	S	C	.	.	H	α-helix	trans	-62.4	-49.2	172.6	-170.7	-164.5	-178.5	109.9	-8.7	110.9	V282 E283 L288 Y314 S315 V316 H321 H322	V282-R318 VanDerWaalsContact O-CD 3.31Å; V282-R318 WeakPolarHBondContact O-CD 3.31Å; V282-R318 PolarHBondContact O-NE 3.26Å; E283-R318 PolarHBondContact O-NH2 2.9Å; E283-R318 VanDerWaalsContact O-NH2 3.15Å; E283-R318 IonicContact OE1-CZ 2.69Å; E283-R318 IonicContact OE1-NH1 2.76Å; E283-R318 PolarHBondContact OE1-NH1 2.86Å; E283-R318 IonicContact OE1-NH2 3.15Å; E283-R318 IonicContact OE2-CZ 2.8Å; E283-R318 IonicContact OE2-NH1 3.75Å; E283-R318 PolarHBondContact OE2-NH1 3.08Å; E283-R318 IonicContact OE2-NH2 3.68Å; E283-R318 PolarHBondContact OE2-NH2 3.44Å; L288-R318 HydrophobicContact CD2-CG 3.83Å; Y314-R318 VanDerWaalsContact O-CB 3.31Å; Y314-R318 WeakPolarHBondContact O-CB 3.48Å; Y314-R318 PolarHBondContact O-N 3.28Å; S315-R318 PolarHBondContact O-N 2.72Å; V316-R318 PolarHBondContact O-N 3.28Å; R318-H321 PolarHBondContact O-N 3.25Å; R318-H322 PolarHBondContact O-N 2.91Å
319	W	97	Very high	94.2	Very high	5 Å²	5	54.6 Å²	54.6	2%	0.019	27%	0.266	C	S	.	.	H	α-helix	trans	-63.7	-40.7	176.2	-176.8	94.1	0	0	0	112.2	F287 L290 V292 L295 S315 V316 H322 R327 L334	F287-W319 HydrophobicContact CE1-CB 4.23Å; F287-W319 VanDerWaalsContact O-CD1 3.32Å; L290-W319 WeakPolarHBondContact O-CZ2 3.42Å; L290-W319 PolarHBondContact O-NE1 3.05Å; V292-W319 HydrophobicContact CB-CH2 4Å; V292-W319 HydrophobicContact CB-CZ2 4.3Å; V292-W319 HydrophobicContact CG2-CH2 4.21Å; L295-W319 HydrophobicContact CD2-CB 4Å; L295-W319 HydrophobicContact CD2-CD2 3.37Å; L295-W319 HydrophobicContact CD2-CE3 3.81Å; L295-W319 HydrophobicContact CD2-CG 3.46Å; L295-W319 VanDerWaalsContact CD2-CG 3.46Å; L295-W319 HydrophobicContact CD2-CZ2 4.32Å; L295-W319 HydrophobicContact CD2-CZ3 4.45Å; S315-W319 PolarHBondContact O-N 3.32Å; V316-W319 PolarHBondContact O-N 3.49Å; W319-H322 PolarHBondContact O-N 3.02Å; W319-R327 VanDerWaalsContact CE2-CZ 3.41Å; W319-R327 HydrophobicContact CE3-CB 4.3Å; W319-R327 HydrophobicContact CE3-CG 4.25Å; W319-R327 HydrophobicContact CH2-CB 4.09Å; W319-R327 HydrophobicContact CH2-CG 3.61Å; W319-R327 HydrophobicContact CZ2-CG 4.21Å; W319-R327 HydrophobicContact CZ3-CB 3.65Å; W319-R327 HydrophobicContact CZ3-CG 3.63Å; W319-R327 VanDerWaalsContact O-CD 3.31Å; W319-R327 WeakPolarHBondContact O-CD 3.14Å; W319-R327 PolarHBondContact O-NH1 3.32Å; W319-L334 HydrophobicContact CE3-CD1 3.66Å; W319-L334 HydrophobicContact CH2-CD1 4.31Å; W319-L334 HydrophobicContact CZ3-CD1 3.43Å; W319-L334 VanDerWaalsContact CZ3-CD1 3.43Å
320	M	95	Very high	94.4	Very high	0 Å²	0	59 Å²	59	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-60.7	-45.8	178.2	-174	57.8	54.3	0	0	112.1	V316 M317 H322 N323 L324 R327 L331 L334 L357	V316-M320 VanDerWaalsContact O-CB 3.28Å; V316-M320 WeakPolarHBondContact O-CB 3.49Å; V316-M320 PolarHBondContact O-N 3.49Å; M317-M320 PolarHBondContact O-N 2.75Å; M320-H322 VanDerWaalsContact C-N 3.32Å; M320-H322 PolarHBondContact O-N 2.68Å; M320-N323 CarbonylContact O-C 3.6Å; M320-L324 HydrophobicContact CG-CD1 3.94Å; M320-L324 VanDerWaalsContact O-CA 3.26Å; M320-L324 WeakPolarHBondContact O-CA 3.25Å; M320-L324 PolarHBondContact O-N 2.75Å; M320-L324 HydrophobicContact SD-CD1 4.18Å; M320-R327 HydrophobicContact CE-CB 4.2Å; M320-R327 WeakPolarHBondContact CE-O 3.2Å; M320-R327 HydrophobicContact SD-CB 3.7Å; M320-L331 HydrophobicContact CE-CB 3.83Å; M320-L331 HydrophobicContact CE-CD1 4.04Å; M320-L334 HydrophobicContact CE-CD1 3.92Å; M320-L357 HydrophobicContact CG-CD1 4.11Å
321	H	94.5	Very high	94.7	Very high	114 Å²	114	57 Å²	57	53%	0.528	27%	0.274	S	S	.	.	H	α-helix	trans	-70.4	-23.2	-178.1	-77.6	91.4	0	0	0	114.1	M317 R318 N323	M317-H321 PolarHBondContact O-N 3.1Å; M317-H321 PolarHBondContact O-ND1 2.81Å; R318-H321 PolarHBondContact O-N 3.25Å; H321-N323 VanDerWaalsContact C-N 3.34Å; H321-N323 PolarHBondContact O-N 2.76Å
322	H	94.6	Very high	94.9	Very high	92 Å²	92	54.9 Å²	54.9	43%	0.426	27%	0.265	S	S	.	.	H	α-helix	trans	-63.9	-34.8	-179.6	178.9	68.5	0	0	0	113.3	L288 R318 W319 M320	L288-H322 HydrophobicContact CD2-CB 4.45Å; L288-H322 PolarHBondContact O-CD2 3.06Å; R318-H322 PolarHBondContact O-N 2.91Å; W319-H322 PolarHBondContact O-N 3.02Å; M320-H322 VanDerWaalsContact C-N 3.32Å; M320-H322 PolarHBondContact O-N 2.68Å
323	N	93.6	Very high	94.9	Very high	57 Å²	57	60.5 Å²	60.5	31%	0.305	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-143.7	74.9	166.9	-179.1	-1.5	0	0	0	110.2	M320 H321 S325 D326 R327	M320-N323 CarbonylContact O-C 3.6Å; H321-N323 VanDerWaalsContact C-N 3.34Å; H321-N323 PolarHBondContact O-N 2.76Å; N323-S325 VanDerWaalsContact C-N 3.25Å; N323-S325 PolarHBondContact O-N 3.42Å; N323-D326 PolarHBondContact ND2-OD2 3.05Å; N323-D326 PolarHBondContact O-N 2.79Å; N323-D326 PolarHBondContact OD1-N 2.87Å; N323-D326 PolarHBondContact OD1-OD2 3.15Å; N323-R327 HydrophobicContact CB-CG 4.32Å; N323-R327 WeakPolarHBondContact O-CB 3.33Å; N323-R327 WeakPolarHBondContact O-CG 3.18Å; N323-R327 PolarHBondContact O-N 3.09Å
324	L	92.7	Very high	94.8	Very high	64 Å²	64	60.3 Å²	60.3	34%	0.335	29%	0.287	S	S	.	.	H	α-helix	trans	-60.4	-32.7	-174.5	-177.6	60.8	0	0	0	113.6	M320 R328 L357	M320-L324 HydrophobicContact CG-CD1 3.94Å; M320-L324 VanDerWaalsContact O-CA 3.26Å; M320-L324 WeakPolarHBondContact O-CA 3.25Å; M320-L324 PolarHBondContact O-N 2.75Å; M320-L324 HydrophobicContact SD-CD1 4.18Å; L324-R328 HydrophobicContact CD1-CB 4.48Å; L324-R328 VanDerWaalsContact O-CB 3.29Å; L324-R328 WeakPolarHBondContact O-CB 3.28Å; L324-R328 PolarHBondContact O-N 2.68Å; L324-R328 VanDerWaalsContact O-N 3.17Å; L324-L357 HydrophobicContact CD1-CD1 3.57Å; L324-L357 HydrophobicContact CD1-CD2 3.93Å; L324-L357 HydrophobicContact CD1-CG 4.43Å; L324-L357 HydrophobicContact CD2-CD2 4.38Å
325	S	92.2	Very high	94.8	Very high	105 Å²	105	53.9 Å²	53.9	73%	0.734	26%	0.261	S	S	*	.	H	α-helix	trans	-60.1	-52.3	-177.9	-58.8	0	0	0	0	111.9	N323	N323-S325 VanDerWaalsContact C-N 3.25Å; N323-S325 PolarHBondContact O-N 3.42Å
326	D	93.1	Very high	94.8	Very high	109 Å²	109	57.9 Å²	57.9	58%	0.583	28%	0.28	S	S	*	.	H	α-helix	trans	-88.2	-23.7	-174.9	-55.3	-30.8	0	0	0	112	N323 P329 Y330	N323-D326 PolarHBondContact ND2-OD2 3.05Å; N323-D326 PolarHBondContact O-N 2.79Å; N323-D326 PolarHBondContact OD1-N 2.87Å; N323-D326 PolarHBondContact OD1-OD2 3.15Å; D326-P329 WeakPolarHBondContact O-CD 3.47Å; D326-Y330 WeakPolarHBondContact O-CE2 3.34Å
327	R	94.8	Very high	94.7	Very high	29 Å²	29	59.9 Å²	59.9	11%	0.109	29%	0.289	C	S	.	.	H	α-helix	trans	-88.3	-24.2	-174.2	-65.5	176.4	173.3	-169.9	-4.9	114.2	L288 W319 M320 N323 P329 Y330	L288-R327 VanDerWaalsContact O-CZ 3.26Å; L288-R327 PolarHBondContact O-NH1 2.73Å; L288-R327 PolarHBondContact O-NH2 3.22Å; W319-R327 VanDerWaalsContact CE2-CZ 3.41Å; W319-R327 HydrophobicContact CE3-CB 4.3Å; W319-R327 HydrophobicContact CE3-CG 4.25Å; W319-R327 HydrophobicContact CH2-CB 4.09Å; W319-R327 HydrophobicContact CH2-CG 3.61Å; W319-R327 HydrophobicContact CZ2-CG 4.21Å; W319-R327 HydrophobicContact CZ3-CB 3.65Å; W319-R327 HydrophobicContact CZ3-CG 3.63Å; W319-R327 VanDerWaalsContact O-CD 3.31Å; W319-R327 WeakPolarHBondContact O-CD 3.14Å; W319-R327 PolarHBondContact O-NH1 3.32Å; M320-R327 HydrophobicContact CE-CB 4.2Å; M320-R327 WeakPolarHBondContact CE-O 3.2Å; M320-R327 HydrophobicContact SD-CB 3.7Å; N323-R327 HydrophobicContact CB-CG 4.32Å; N323-R327 WeakPolarHBondContact O-CB 3.33Å; N323-R327 WeakPolarHBondContact O-CG 3.18Å; N323-R327 PolarHBondContact O-N 3.09Å; R327-P329 VanDerWaalsContact C-N 3.33Å; R327-P329 VanDerWaalsContact O-N 3.16Å; R327-Y330 WeakPolarHBondContact O-CD2 3.48Å; R327-Y330 PolarHBondContact O-N 2.71Å
328	R	93.5	Very high	94.7	Very high	126 Å²	126	59.3 Å²	59.3	48%	0.475	29%	0.286	S	S	.	.	G	3₁₀ helix	trans	-49.4	-40	-177.7	-176.2	176.6	-176.7	-169.7	2	115.1	L324 Y330 L331 S360	L324-R328 HydrophobicContact CD1-CB 4.48Å; L324-R328 VanDerWaalsContact O-CB 3.29Å; L324-R328 WeakPolarHBondContact O-CB 3.28Å; L324-R328 PolarHBondContact O-N 2.68Å; L324-R328 VanDerWaalsContact O-N 3.17Å; R328-Y330 PolarHBondContact O-N 3.36Å; R328-Y330 VanDerWaalsContact O-N 3.14Å; R328-L331 PolarHBondContact O-N 2.77Å; R328-S360 PolarHBondContact NH2-OG 2.78Å
329	P	93.7	Very high	94.6	Very high	97 Å²	97	55.9 Å²	55.9	63%	0.63	27%	0.273	S	S	*	.	G	3₁₀ helix	trans	-61.3	-19.5	178.4	-24.7	36.1	0	0	0	115	D326 R327	D326-P329 WeakPolarHBondContact O-CD 3.47Å; R327-P329 VanDerWaalsContact C-N 3.33Å; R327-P329 VanDerWaalsContact O-N 3.16Å
330	Y	95.1	Very high	94.5	Very high	105 Å²	105	55.8 Å²	55.8	41%	0.412	27%	0.273	S	S	.	.	G	3₁₀ helix	trans	-94.7	-1.9	-178.7	-51.5	-73.9	0	0	0	113.7	V292 D326 R327 R328 S332 Y333 L334	V292-Y330 HydrophobicContact CB-CG 4.49Å; V292-Y330 HydrophobicContact CG1-CD1 4.26Å; V292-Y330 HydrophobicContact CG1-CE1 4.23Å; V292-Y330 HydrophobicContact CG2-CD1 4.04Å; V292-Y330 HydrophobicContact CG2-CG 3.91Å; D326-Y330 WeakPolarHBondContact O-CE2 3.34Å; R327-Y330 WeakPolarHBondContact O-CD2 3.48Å; R327-Y330 PolarHBondContact O-N 2.71Å; R328-Y330 PolarHBondContact O-N 3.36Å; R328-Y330 VanDerWaalsContact O-N 3.14Å; Y330-S332 PolarHBondContact O-N 3.27Å; Y330-Y333 PolarHBondContact O-N 3.29Å; Y330-Y333 VanDerWaalsContact O-N 3.15Å; Y330-L334 WeakPolarHBondContact O-CG 3.44Å; Y330-L334 PolarHBondContact O-N 2.91Å
331	L	95.8	Very high	94.3	Very high	2 Å²	2	55.9 Å²	55.9	1%	0.01	27%	0.274	C	S	.	.	H	α-helix	trans	-58.4	-47.4	-173.9	178.5	61.4	0	0	0	112.4	V316 M317 M320 R328 Y333 L334 L335 L357	V316-L331 HydrophobicContact CG1-CD1 4.3Å; M317-L331 HydrophobicContact SD-CD1 4.05Å; M320-L331 HydrophobicContact CE-CB 3.83Å; M320-L331 HydrophobicContact CE-CD1 4.04Å; R328-L331 PolarHBondContact O-N 2.77Å; L331-Y333 VanDerWaalsContact C-N 3.28Å; L331-Y333 PolarHBondContact O-N 3.48Å; L331-L334 PolarHBondContact O-N 2.93Å; L331-L335 VanDerWaalsContact O-CB 3.23Å; L331-L335 WeakPolarHBondContact O-CB 3.33Å; L331-L335 PolarHBondContact O-N 3.07Å; L331-L357 HydrophobicContact CD2-CB 3.56Å
332	S	94.9	Very high	94	Very high	10 Å²	10	53.1 Å²	53.1	7%	0.07	26%	0.263	C	S	.	.	H	α-helix	trans	-63.9	-32.1	179	30.7	0	0	0	0	113.1	Y330 E336 D361 C364	Y330-S332 PolarHBondContact O-N 3.27Å; S332-E336 PolarHBondContact O-N 3.06Å; S332-D361 WeakPolarHBondContact CB-OD2 3.4Å; S332-D361 PolarHBondContact OG-OD2 3.5Å; S332-C364 WeakPolarHBondContact CA-SG 3.5Å
333	Y	94.3	Very high	93.7	Very high	119 Å²	119	49 Å²	49	47%	0.467	24%	0.243	S	C	.	.	H	α-helix	trans	-73.3	-40.3	176.3	-173.8	-133.2	0	0	0	112.2	V296 Y330 L331 H337	V296-Y333 HydrophobicContact CG1-CE1 4.36Å; V296-Y333 HydrophobicContact CG2-CD1 4.01Å; V296-Y333 HydrophobicContact CG2-CE1 3.74Å; Y330-Y333 PolarHBondContact O-N 3.29Å; Y330-Y333 VanDerWaalsContact O-N 3.15Å; L331-Y333 VanDerWaalsContact C-N 3.28Å; L331-Y333 PolarHBondContact O-N 3.48Å; Y333-H337 PolarHBondContact O-CD2 3.28Å
334	L	96.1	Very high	93.3	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-69	-37.9	174.4	-69.3	166.4	0	0	0	112.2	V292 L295 V296 L299 V316 W319 M320 Y330 L331 E336 H337	V292-L334 HydrophobicContact CG2-CD2 4.23Å; V292-L334 HydrophobicContact CG2-CG 4.4Å; L295-L334 HydrophobicContact CB-CD2 4.46Å; L295-L334 HydrophobicContact CD2-CD1 4.21Å; L295-L334 HydrophobicContact CD2-CD2 3.66Å; L295-L334 HydrophobicContact CG-CD2 3.85Å; V296-L334 HydrophobicContact CG2-CD2 3.76Å; L299-L334 HydrophobicContact CD1-CD2 3.7Å; V316-L334 HydrophobicContact CG1-CB 3.85Å; V316-L334 HydrophobicContact CG1-CD1 4.46Å; V316-L334 HydrophobicContact CG2-CB 4.43Å; W319-L334 HydrophobicContact CE3-CD1 3.66Å; W319-L334 HydrophobicContact CH2-CD1 4.31Å; W319-L334 HydrophobicContact CZ3-CD1 3.43Å; W319-L334 VanDerWaalsContact CZ3-CD1 3.43Å; M320-L334 HydrophobicContact CE-CD1 3.92Å; Y330-L334 WeakPolarHBondContact O-CG 3.44Å; Y330-L334 PolarHBondContact O-N 2.91Å; L331-L334 PolarHBondContact O-N 2.93Å; L334-E336 VanDerWaalsContact C-N 3.29Å; L334-E336 PolarHBondContact O-N 3.25Å; L334-H337 PolarHBondContact O-N 2.99Å
335	L	96	Very high	93.1	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-68.5	-27.5	-179.2	-163.2	69	0	0	0	112.4	Y313 L331 H337 V338 L340 V358 C364 L367	Y313-L335 HydrophobicContact CD2-CD1 3.91Å; Y313-L335 HydrophobicContact CE2-CD1 3.93Å; L331-L335 VanDerWaalsContact O-CB 3.23Å; L331-L335 WeakPolarHBondContact O-CB 3.33Å; L331-L335 PolarHBondContact O-N 3.07Å; L335-H337 PolarHBondContact O-N 2.94Å; L335-V338 HydrophobicContact CD1-CB 4.36Å; L335-V338 HydrophobicContact CD1-CG2 4.19Å; L335-V338 PolarHBondContact O-N 2.7Å; L335-V338 VanDerWaalsContact O-N 3.09Å; L335-L340 HydrophobicContact CD1-CD1 4.45Å; L335-L340 HydrophobicContact CD1-CD2 4.02Å; L335-L340 HydrophobicContact CD2-CD1 4.18Å; L335-L340 HydrophobicContact CG-CD1 4.07Å; L335-L340 HydrophobicContact CG-CD2 4.46Å; L335-V358 HydrophobicContact CD2-CG1 4.44Å; L335-C364 HydrophobicContact CD2-CB 4Å; L335-L367 HydrophobicContact CB-CD1 4.19Å; L335-L367 HydrophobicContact CD2-CD1 4.38Å; L335-L367 HydrophobicContact CG-CD1 4.37Å
336	E	95.1	Very high	93	Very high	84 Å²	84	53 Å²	53	39%	0.393	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-24.7	172.6	173.3	152.4	-132.5	0	0	113.1	S332 L334 L367 R388	S332-E336 PolarHBondContact O-N 3.06Å; L334-E336 VanDerWaalsContact C-N 3.29Å; L334-E336 PolarHBondContact O-N 3.25Å; E336-L367 HydrophobicContact CB-CD1 4.24Å; E336-R388 IonicContact OE1-CZ 2.79Å; E336-R388 IonicContact OE1-NH1 3.13Å; E336-R388 PolarHBondContact OE1-NH1 2.98Å
337	H	95.4	Very high	93	Very high	42 Å²	42	48.5 Å²	48.5	19%	0.194	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.5	-5.4	176.3	-60.3	-65.5	0	0	0	114.2	L299 Y333 L334 L335 R392	L299-H337 HydrophobicContact CB-CB 3.83Å; Y333-H337 PolarHBondContact O-CD2 3.28Å; L334-H337 PolarHBondContact O-N 2.99Å; L335-H337 PolarHBondContact O-N 2.94Å; H337-R392 PolarHBondContact O-NH2 2.86Å
338	V	95.5	Very high	92.9	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	23%	0.227	C	C	.	.	S	Bend	trans	-85.3	128.4	165.8	-171.7	0	0	0	0	107.9	V312 V316 L335 L340	V312-V338 HydrophobicContact CB-CG1 4.45Å; V312-V338 HydrophobicContact CG1-CG2 4.15Å; V316-V338 HydrophobicContact CG2-CG2 3.82Å; L335-V338 HydrophobicContact CD1-CB 4.36Å; L335-V338 HydrophobicContact CD1-CG2 4.19Å; L335-V338 PolarHBondContact O-N 2.7Å; L335-V338 VanDerWaalsContact O-N 3.09Å; V338-L340 HydrophobicContact CB-CD2 4.07Å; V338-L340 HydrophobicContact CG1-CD2 3.74Å; V338-L340 PolarHBondContact O-N 3.42Å
339	R	92.8	Very high	92.9	Very high	14 Å²	14	45.1 Å²	45.1	5%	0.053	23%	0.228	C	C	.	.			trans	-85.8	66.4	-173.5	-52.5	178.7	-170.2	-153.1	-3.1	109.7	S300 D302 E309 P341 L342 R388 K390 R392	S300-R339 PolarHBondContact O-NH2 3.42Å; D302-R339 IonicContact OD1-CZ 2.68Å; D302-R339 VanDerWaalsContact OD1-CZ 3.26Å; D302-R339 IonicContact OD1-NH1 3.48Å; D302-R339 PolarHBondContact OD1-NH1 3.33Å; D302-R339 IonicContact OD1-NH2 3.54Å; D302-R339 PolarHBondContact OD1-NH2 2.62Å; E309-R339 VanDerWaalsContact CD-CB 3.5Å; E309-R339 HydrophobicContact CG-CB 3.85Å; E309-R339 WeakPolarHBondContact OE2-CB 3.41Å; E309-R339 PolarHBondContact OE2-N 3.03Å; R339-P341 VanDerWaalsContact C-N 3.29Å; R339-P341 VanDerWaalsContact O-N 3.15Å; R339-L342 HydrophobicContact CB-CD1 4.01Å; R339-L342 HydrophobicContact CB-CG 4.33Å; R339-L342 WeakPolarHBondContact O-CA 3.45Å; R339-L342 WeakPolarHBondContact O-CB 3.35Å; R339-L342 PolarHBondContact O-N 3.38Å; R339-R388 WeakPolarHBondContact CB-O 3.46Å; R339-K390 VanDerWaalsContact CD-O 3.28Å; R339-K390 WeakPolarHBondContact CD-O 3.09Å; R339-K390 PolarHBondContact NH1-O 2.95Å; R339-R392 VanDerWaalsContact CZ-CG 3.46Å
340	L	95	Very high	92.9	Very high	2 Å²	2	42.7 Å²	42.7	1%	0.01	22%	0.221	C	C	.	.	G	3₁₀ helix	trans	-47.8	-38.7	-175.9	-57.7	-174.6	0	0	0	114.7	L335 V338 L342 L343 L348 V352 L367 V368 A371	L335-L340 HydrophobicContact CD1-CD1 4.45Å; L335-L340 HydrophobicContact CD1-CD2 4.02Å; L335-L340 HydrophobicContact CD2-CD1 4.18Å; L335-L340 HydrophobicContact CG-CD1 4.07Å; L335-L340 HydrophobicContact CG-CD2 4.46Å; V338-L340 HydrophobicContact CB-CD2 4.07Å; V338-L340 HydrophobicContact CG1-CD2 3.74Å; V338-L340 PolarHBondContact O-N 3.42Å; L340-L342 PolarHBondContact O-N 2.93Å; L340-L343 HydrophobicContact CB-CD1 4.28Å; L340-L343 HydrophobicContact CD2-CD1 3.5Å; L340-L343 VanDerWaalsContact CD2-CD1 3.5Å; L340-L343 HydrophobicContact CG-CD1 4.49Å; L340-L343 WeakPolarHBondContact O-CB 3.32Å; L340-L343 PolarHBondContact O-N 2.75Å; L340-L343 VanDerWaalsContact O-N 3.12Å; L340-L348 HydrophobicContact CB-CD1 4.24Å; L340-V352 HydrophobicContact CD2-CG1 4.43Å; L340-L367 HydrophobicContact CD1-CB 3.97Å; L340-V368 HydrophobicContact CD1-CG2 3.81Å; L340-A371 HydrophobicContact CB-CB 3.59Å
341	P	91.8	Very high	92.9	Very high	2 Å²	2	40 Å²	40	1%	0.013	22%	0.216	C	C	.	.	G	3₁₀ helix	trans	-61.4	-10.8	174.9	-23.7	34.6	0	0	0	115.5	R339 A371 Y374 R388 T389	R339-P341 VanDerWaalsContact C-N 3.29Å; R339-P341 VanDerWaalsContact O-N 3.15Å; P341-A371 HydrophobicContact CB-CB 4.49Å; P341-A371 HydrophobicContact CG-CB 4.09Å; P341-Y374 HydrophobicContact CB-CD1 3.49Å; P341-Y374 VanDerWaalsContact CB-CD1 3.49Å; P341-Y374 HydrophobicContact CB-CE1 4.04Å; P341-Y374 HydrophobicContact CB-CG 3.79Å; P341-Y374 WeakPolarHBondContact O-CD1 3.47Å; P341-R388 WeakPolarHBondContact CD-O 3.33Å; P341-R388 HydrophobicContact CG-CB 4.27Å; P341-T389 HydrophobicContact CB-CG2 4.11Å; P341-T389 HydrophobicContact CG-CG2 4.18Å
342	L	87.7	Confident	92.9	Very high	57 Å²	57	40 Å²	40	30%	0.298	22%	0.215	S	C	.	.	G	3₁₀ helix	trans	-108.8	1.7	179.5	-53.9	-179.7	0	0	0	113.4	E309 R339 L340 Y374 P391	E309-L342 HydrophobicContact CG-CB 4.27Å; R339-L342 HydrophobicContact CB-CD1 4.01Å; R339-L342 HydrophobicContact CB-CG 4.33Å; R339-L342 WeakPolarHBondContact O-CA 3.45Å; R339-L342 WeakPolarHBondContact O-CB 3.35Å; R339-L342 PolarHBondContact O-N 3.38Å; L340-L342 PolarHBondContact O-N 2.93Å; L342-Y374 HydrophobicContact CD2-CE1 4.46Å; L342-P391 HydrophobicContact CD1-CB 4.25Å; L342-P391 HydrophobicContact CD1-CG 4.13Å
343	L	88.3	Confident	92.8	Very high	4 Å²	4	40.7 Å²	40.7	2%	0.021	22%	0.22	C	C	.	.	S	Bend	trans	-69.6	157.9	170.1	-65.7	172.7	0	0	0	111	E309 E310 L340 F347 L348 V352	E309-L343 VanDerWaalsContact C-CD2 3.45Å; E309-L343 HydrophobicContact CB-CD2 3.67Å; E309-L343 HydrophobicContact CB-CG 4.37Å; E310-L343 HydrophobicContact CB-CD2 4.25Å; E310-L343 HydrophobicContact CG-CD2 3.56Å; E310-L343 VanDerWaalsContact N-CD2 3.31Å; L340-L343 HydrophobicContact CB-CD1 4.28Å; L340-L343 HydrophobicContact CD2-CD1 3.5Å; L340-L343 VanDerWaalsContact CD2-CD1 3.5Å; L340-L343 HydrophobicContact CG-CD1 4.49Å; L340-L343 WeakPolarHBondContact O-CB 3.32Å; L340-L343 PolarHBondContact O-N 2.75Å; L340-L343 VanDerWaalsContact O-N 3.12Å; L343-F347 HydrophobicContact CD1-CD1 4.2Å; L343-F347 HydrophobicContact CD2-CD1 4.15Å; L343-F347 HydrophobicContact CD2-CE1 4.33Å; L343-L348 HydrophobicContact CB-CB 4.38Å; L343-L348 HydrophobicContact CD1-CD1 4Å; L343-V352 HydrophobicContact CD1-CG2 3.88Å
344	S	85.4	Confident	92.8	Very high	47 Å²	47	38.5 Å²	38.5	33%	0.329	22%	0.219	S	C	.	.			trans	-64.9	140.5	169.5	73.4	0	0	0	0	110.2	E310 K346 F347 L348	E310-S344 WeakPolarHBondContact OE1-CB 3.27Å; E310-S344 PolarHBondContact OE1-N 3.24Å; E310-S344 PolarHBondContact OE1-OG 3.24Å; S344-K346 PolarHBondContact O-N 3.1Å; S344-K346 VanDerWaalsContact O-N 3.11Å; S344-F347 PolarHBondContact O-N 2.86Å; S344-F347 VanDerWaalsContact OG-CB 3.26Å; S344-F347 WeakPolarHBondContact OG-CB 3.37Å; S344-F347 PolarHBondContact OG-N 3.16Å; S344-L348 PolarHBondContact O-N 3.41Å
345	P	88.4	Confident	92.8	Very high	80 Å²	80	40.3 Å²	40.3	52%	0.519	23%	0.229	S	C	.	.	H	α-helix	trans	-56.4	-32.2	178.6	-26	32.5	0	0	0	113	V349 L375	P345-V349 WeakPolarHBondContact O-CB 3.39Å; P345-V349 WeakPolarHBondContact O-CG2 3.41Å; P345-V349 PolarHBondContact O-N 3.45Å; P345-V349 VanDerWaalsContact O-N 3.08Å; P345-L375 HydrophobicContact CB-CD1 4.44Å; P345-L375 HydrophobicContact CG-CD1 4.18Å; P345-L375 HydrophobicContact CG-CD2 4.35Å
346	K	90.8	Very high	92.7	Very high	183 Å²	183	46.9 Å²	46.9	80%	0.796	26%	0.263	S	S	*	.	H	α-helix	trans	-63.6	-41.3	175.1	-175.2	-177.3	175.8	-172.8	0	112	S344 G350	S344-K346 PolarHBondContact O-N 3.1Å; S344-K346 VanDerWaalsContact O-N 3.11Å; K346-G350 VanDerWaalsContact O-CA 3.29Å; K346-G350 WeakPolarHBondContact O-CA 3.48Å; K346-G350 PolarHBondContact O-N 3.34Å
347	F	92	Very high	92.6	Very high	15 Å²	15	43.9 Å²	43.9	7%	0.066	25%	0.25	C	C	.	.	H	α-helix	trans	-76.3	-44.7	179.1	-169	-81.6	0	0	0	111.9	E310 Y313 Y314 L343 S344 V349 T351 V352	E310-F347 HydrophobicContact CB-CD1 4.47Å; E310-F347 HydrophobicContact CB-CD2 4.06Å; E310-F347 HydrophobicContact CB-CE1 4.21Å; E310-F347 HydrophobicContact CB-CE2 3.77Å; E310-F347 HydrophobicContact CB-CG 4.4Å; E310-F347 HydrophobicContact CB-CZ 3.85Å; E310-F347 VanDerWaalsContact CD-CD2 3.43Å; E310-F347 HydrophobicContact CG-CB 4.08Å; E310-F347 HydrophobicContact CG-CD1 3.78Å; E310-F347 HydrophobicContact CG-CD2 3.61Å; E310-F347 HydrophobicContact CG-CE1 4.01Å; E310-F347 HydrophobicContact CG-CE2 3.85Å; E310-F347 HydrophobicContact CG-CG 3.57Å; E310-F347 HydrophobicContact CG-CZ 4.04Å; E310-F347 WeakPolarHBondContact OE1-CB 3.35Å; Y313-F347 AromaticContact CD1-CE1 3.65Å; Y313-F347 HydrophobicContact CD1-CE1 3.65Å; Y313-F347 AromaticContact CD1-CZ 3.75Å; Y313-F347 HydrophobicContact CD1-CZ 3.75Å; Y313-F347 HydrophobicContact CE1-CE1 4.27Å; Y313-F347 HydrophobicContact CE1-CZ 4.43Å; Y313-F347 AromaticContact CG-CE1 3.99Å; Y313-F347 HydrophobicContact CG-CE1 3.99Å; Y313-F347 HydrophobicContact CG-CZ 4.41Å; Y314-F347 HydrophobicContact CD2-CZ 4.36Å; Y314-F347 HydrophobicContact CE1-CE2 4.5Å; Y314-F347 HydrophobicContact CE1-CZ 4.33Å; Y314-F347 AromaticContact CE2-CE2 3.63Å; Y314-F347 HydrophobicContact CE2-CE2 3.63Å; Y314-F347 AromaticContact CE2-CZ 3.85Å; Y314-F347 HydrophobicContact CE2-CZ 3.85Å; Y314-F347 AromaticContact CZ-CE2 3.62Å; Y314-F347 AromaticContact CZ-CZ 3.83Å; Y314-F347 WeakPolarHBondContact OH-CE2 3.33Å; L343-F347 HydrophobicContact CD1-CD1 4.2Å; L343-F347 HydrophobicContact CD2-CD1 4.15Å; L343-F347 HydrophobicContact CD2-CE1 4.33Å; S344-F347 PolarHBondContact O-N 2.86Å; S344-F347 VanDerWaalsContact OG-CB 3.26Å; S344-F347 WeakPolarHBondContact OG-CB 3.37Å; S344-F347 PolarHBondContact OG-N 3.16Å; F347-V349 VanDerWaalsContact C-N 3.32Å; F347-V349 PolarHBondContact O-N 3.11Å; F347-T351 HydrophobicContact CE1-CG2 4.31Å; F347-T351 HydrophobicContact CE2-CG2 4.35Å; F347-T351 HydrophobicContact CZ-CG2 4.13Å; F347-T351 WeakPolarHBondContact O-CA 3.29Å; F347-T351 WeakPolarHBondContact O-CB 3.36Å; F347-T351 PolarHBondContact O-N 2.74Å; F347-V352 HydrophobicContact CD1-CG2 3.68Å; F347-V352 HydrophobicContact CE1-CG2 3.66Å; F347-V352 PolarHBondContact O-N 3.23Å
348	L	94.2	Very high	92.6	Very high	1 Å²	1	42 Å²	42	1%	0.005	24%	0.241	C	C	.	.	I	π-helix	trans	-58.5	-43.8	177.9	-176.2	71.8	0	0	0	111.6	L340 L343 S344 V352 S353 V368 A371 K372 L375	L340-L348 HydrophobicContact CB-CD1 4.24Å; L343-L348 HydrophobicContact CB-CB 4.38Å; L343-L348 HydrophobicContact CD1-CD1 4Å; S344-L348 PolarHBondContact O-N 3.41Å; L348-V352 HydrophobicContact CD1-CB 4.29Å; L348-V352 HydrophobicContact CD1-CG1 4.48Å; L348-S353 VanDerWaalsContact O-CB 3.3Å; L348-S353 WeakPolarHBondContact O-CB 3.37Å; L348-S353 PolarHBondContact O-N 3.08Å; L348-S353 PolarHBondContact O-OG 3.25Å; L348-V368 HydrophobicContact CD1-CG1 4.41Å; L348-V368 HydrophobicContact CD1-CG2 4.49Å; L348-A371 HydrophobicContact CD1-CB 4.02Å; L348-A371 HydrophobicContact CD2-CB 3.69Å; L348-K372 HydrophobicContact CD2-CG 3.97Å; L348-L375 HydrophobicContact CD2-CD1 3.64Å
349	V	93.5	Very high	92.5	Very high	83 Å²	83	48.7 Å²	48.7	50%	0.503	27%	0.267	S	S	.	.	I	π-helix	trans	-83.8	-40.8	180	179.5	0	0	0	0	112.3	P345 F347	P345-V349 WeakPolarHBondContact O-CB 3.39Å; P345-V349 WeakPolarHBondContact O-CG2 3.41Å; P345-V349 PolarHBondContact O-N 3.45Å; P345-V349 VanDerWaalsContact O-N 3.08Å; F347-V349 VanDerWaalsContact C-N 3.32Å; F347-V349 PolarHBondContact O-N 3.11Å
350	G	93.1	Very high	92.5	Very high	46 Å²	46	50.6 Å²	50.6	47%	0.474	28%	0.282	S	S	.	.	I	π-helix	trans	-81.6	-25.6	-173.9	0	0	0	0	0	115.2	K346 T354	K346-G350 VanDerWaalsContact O-CA 3.29Å; K346-G350 WeakPolarHBondContact O-CA 3.48Å; K346-G350 PolarHBondContact O-N 3.34Å; G350-T354 VanDerWaalsContact C-OG1 3.31Å; G350-T354 PolarHBondContact O-OG1 3.39Å
351	T	94.9	Very high	92.4	Very high	50 Å²	50	52.1 Å²	52.1	31%	0.307	29%	0.29	S	S	.	.	I	π-helix	trans	-123	-52.4	-173.2	-56.4	0	0	0	0	112.3	Y313 F347 T354 D355	Y313-T351 HydrophobicContact CE1-CG2 4.33Å; F347-T351 HydrophobicContact CE1-CG2 4.31Å; F347-T351 HydrophobicContact CE2-CG2 4.35Å; F347-T351 HydrophobicContact CZ-CG2 4.13Å; F347-T351 WeakPolarHBondContact O-CA 3.29Å; F347-T351 WeakPolarHBondContact O-CB 3.36Å; F347-T351 PolarHBondContact O-N 2.74Å; T351-T354 WeakPolarHBondContact CA-OG1 3.37Å; T351-T354 PolarHBondContact O-OG1 3.38Å; T351-T354 VanDerWaalsContact O-OG1 3.04Å; T351-D355 PolarHBondContact O-N 3Å
352	V	95.9	Very high	92.6	Very high	0 Å²	0	58.5 Å²	58.5	0%	0	32%	0.32	C	S	.	.	I	π-helix	trans	-74.4	-47.7	-176.2	-172.4	0	0	0	0	111.3	Y313 L340 L343 F347 L348 T354 D355 V358 V368	Y313-V352 HydrophobicContact CD1-CG2 4.39Å; Y313-V352 HydrophobicContact CD2-CG1 4.39Å; Y313-V352 HydrophobicContact CD2-CG2 4Å; Y313-V352 HydrophobicContact CE1-CG2 4.21Å; Y313-V352 HydrophobicContact CE2-CB 4.27Å; Y313-V352 HydrophobicContact CE2-CG1 3.74Å; Y313-V352 HydrophobicContact CE2-CG2 3.82Å; Y313-V352 HydrophobicContact CG-CG2 4.29Å; L340-V352 HydrophobicContact CD2-CG1 4.43Å; L343-V352 HydrophobicContact CD1-CG2 3.88Å; F347-V352 HydrophobicContact CD1-CG2 3.68Å; F347-V352 HydrophobicContact CE1-CG2 3.66Å; F347-V352 PolarHBondContact O-N 3.23Å; L348-V352 HydrophobicContact CD1-CB 4.29Å; L348-V352 HydrophobicContact CD1-CG1 4.48Å; V352-T354 PolarHBondContact O-N 3.35Å; V352-D355 PolarHBondContact O-N 3.18Å; V352-V358 HydrophobicContact CG1-CG1 4.22Å; V352-V358 HydrophobicContact CG1-CG2 4.45Å; V352-V358 WeakPolarHBondContact O-CG1 3.3Å; V352-V368 HydrophobicContact CG1-CG2 3.63Å
353	S	93.2	Very high	93	Very high	25 Å²	25	64.2 Å²	64.2	18%	0.175	34%	0.337	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-14.8	179.8	-59.9	0	0	0	0	114.1	L348 R359 V368 K372	L348-S353 VanDerWaalsContact O-CB 3.3Å; L348-S353 WeakPolarHBondContact O-CB 3.37Å; L348-S353 PolarHBondContact O-N 3.08Å; L348-S353 PolarHBondContact O-OG 3.25Å; S353-R359 VanDerWaalsContact O-CD 3.3Å; S353-R359 WeakPolarHBondContact O-CD 3.39Å; S353-R359 WeakPolarHBondContact O-CG 3.43Å; S353-V368 VanDerWaalsContact OG-CG1 3.26Å; S353-V368 WeakPolarHBondContact OG-CG1 3.17Å; S353-K372 WeakPolarHBondContact OG-CE 3.35Å
354	T	94.8	Very high	93.4	Very high	73 Å²	73	64 Å²	64	45%	0.448	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.7	-23.1	-178.2	47.8	0	0	0	0	112.9	G350 T351 V352 R359	G350-T354 VanDerWaalsContact C-OG1 3.31Å; G350-T354 PolarHBondContact O-OG1 3.39Å; T351-T354 WeakPolarHBondContact CA-OG1 3.37Å; T351-T354 PolarHBondContact O-OG1 3.38Å; T351-T354 VanDerWaalsContact O-OG1 3.04Å; V352-T354 PolarHBondContact O-N 3.35Å; T354-R359 WeakPolarHBondContact O-CD 3.22Å
355	D	94.6	Very high	93.9	Very high	38 Å²	38	66.5 Å²	66.5	20%	0.203	34%	0.339	C	S	.	.			trans	-57.5	134.1	-177.8	-171.4	-72.2	0	0	0	112.8	M317 T351 V352 L357 V358 R359	M317-D355 WeakPolarHBondContact CE-OD2 3.38Å; T351-D355 PolarHBondContact O-N 3Å; V352-D355 PolarHBondContact O-N 3.18Å; D355-L357 PolarHBondContact O-N 3.34Å; D355-L357 WeakPolarHBondContact OD1-CA 3.37Å; D355-L357 WeakPolarHBondContact OD1-CB 3.21Å; D355-L357 PolarHBondContact OD1-N 3.29Å; D355-V358 HydrophobicContact CB-CB 4.08Å; D355-V358 HydrophobicContact CB-CG2 3.89Å; D355-V358 PolarHBondContact OD1-N 2.81Å; D355-R359 VanDerWaalsContact O-CB 3.3Å; D355-R359 WeakPolarHBondContact O-CB 3.38Å; D355-R359 WeakPolarHBondContact O-CG 3.37Å; D355-R359 PolarHBondContact O-N 3.11Å
356	L	93.7	Very high	94.3	Very high	138 Å²	138	67.2 Å²	67.2	72%	0.723	34%	0.338	S	S	*	.	H	α-helix	trans	-71.2	-29	-174.6	-67.1	177.1	0	0	0	113.3	S360	L356-S360 VanDerWaalsContact O-CB 3.25Å; L356-S360 WeakPolarHBondContact O-CB 3.29Å; L356-S360 PolarHBondContact O-N 3.17Å; L356-S360 PolarHBondContact O-OG 3.36Å
357	L	93.8	Very high	94.5	Very high	21 Å²	21	59.2 Å²	59.2	11%	0.11	30%	0.304	C	S	.	.	H	α-helix	trans	-73.6	-51.6	177.4	-56.2	177.6	0	0	0	109.3	M317 M320 L324 L331 D355 R359 S360 D361	M317-L357 HydrophobicContact CE-CD1 4.04Å; M320-L357 HydrophobicContact CG-CD1 4.11Å; L324-L357 HydrophobicContact CD1-CD1 3.57Å; L324-L357 HydrophobicContact CD1-CD2 3.93Å; L324-L357 HydrophobicContact CD1-CG 4.43Å; L324-L357 HydrophobicContact CD2-CD2 4.38Å; L331-L357 HydrophobicContact CD2-CB 3.56Å; D355-L357 PolarHBondContact O-N 3.34Å; D355-L357 WeakPolarHBondContact OD1-CA 3.37Å; D355-L357 WeakPolarHBondContact OD1-CB 3.21Å; D355-L357 PolarHBondContact OD1-N 3.29Å; L357-R359 VanDerWaalsContact C-N 3.32Å; L357-R359 PolarHBondContact O-N 2.7Å; L357-S360 PolarHBondContact O-N 3.48Å; L357-S360 PolarHBondContact O-OG 3.48Å; L357-D361 PolarHBondContact O-N 2.82Å
358	V	94.5	Very high	94.8	Very high	2 Å²	2	58.7 Å²	58.7	1%	0.012	30%	0.302	C	S	.	.	H	α-helix	trans	-56	-44.6	176.8	178.8	0	0	0	0	111.2	Y313 L335 V352 D355 S360 C364 V368	Y313-V358 HydrophobicContact CE2-CG2 4.47Å; L335-V358 HydrophobicContact CD2-CG1 4.44Å; V352-V358 HydrophobicContact CG1-CG1 4.22Å; V352-V358 HydrophobicContact CG1-CG2 4.45Å; V352-V358 WeakPolarHBondContact O-CG1 3.3Å; D355-V358 HydrophobicContact CB-CB 4.08Å; D355-V358 HydrophobicContact CB-CG2 3.89Å; D355-V358 PolarHBondContact OD1-N 2.81Å; V358-S360 VanDerWaalsContact C-N 3.28Å; V358-S360 PolarHBondContact O-N 3.44Å; V358-C364 HydrophobicContact CB-CB 4.47Å; V358-C364 HydrophobicContact CG1-CB 3.99Å; V358-C364 VanDerWaalsContact O-CB 3.24Å; V358-C364 WeakPolarHBondContact O-CB 3.31Å; V358-V368 HydrophobicContact CG1-CG2 3.9Å
359	R	94	Very high	94.8	Very high	141 Å²	141	62.1 Å²	62.1	53%	0.532	32%	0.32	S	S	.	.	H	α-helix	trans	-69.3	-22.2	177.9	-70.5	174.3	69.2	-176.6	2.1	114.1	S353 T354 D355 L357 R365	S353-R359 VanDerWaalsContact O-CD 3.3Å; S353-R359 WeakPolarHBondContact O-CD 3.39Å; S353-R359 WeakPolarHBondContact O-CG 3.43Å; T354-R359 WeakPolarHBondContact O-CD 3.22Å; D355-R359 VanDerWaalsContact O-CB 3.3Å; D355-R359 WeakPolarHBondContact O-CB 3.38Å; D355-R359 WeakPolarHBondContact O-CG 3.37Å; D355-R359 PolarHBondContact O-N 3.11Å; L357-R359 VanDerWaalsContact C-N 3.32Å; L357-R359 PolarHBondContact O-N 2.7Å; R359-R365 PolarHBondContact O-NH1 3.35Å
360	S	92.6	Very high	94.8	Very high	54 Å²	54	61.3 Å²	61.3	38%	0.378	31%	0.311	S	S	.	.	H	α-helix	trans	-85.1	-24.7	-177.4	75	0	0	0	0	114.4	R328 L356 L357 V358	R328-S360 PolarHBondContact NH2-OG 2.78Å; L356-S360 VanDerWaalsContact O-CB 3.25Å; L356-S360 WeakPolarHBondContact O-CB 3.29Å; L356-S360 PolarHBondContact O-N 3.17Å; L356-S360 PolarHBondContact O-OG 3.36Å; L357-S360 PolarHBondContact O-N 3.48Å; L357-S360 PolarHBondContact O-OG 3.48Å; V358-S360 VanDerWaalsContact C-N 3.28Å; V358-S360 PolarHBondContact O-N 3.44Å
361	D	93.9	Very high	94.8	Very high	35 Å²	35	59.1 Å²	59.1	19%	0.187	29%	0.288	C	S	.	.	S	Bend	trans	-92.3	140.9	174.6	175.8	-56.8	0	0	0	109.3	S332 L357 R363 C364	S332-D361 WeakPolarHBondContact CB-OD2 3.4Å; S332-D361 PolarHBondContact OG-OD2 3.5Å; L357-D361 PolarHBondContact O-N 2.82Å; D361-R363 WeakPolarHBondContact OD1-CA 3.36Å; D361-R363 WeakPolarHBondContact OD1-CB 3.47Å; D361-R363 PolarHBondContact OD1-N 2.74Å; D361-C364 HydrophobicContact CB-CB 3.85Å; D361-C364 VanDerWaalsContact CB-SG 3.6Å; D361-C364 PolarHBondContact OD1-N 3.12Å; D361-C364 PolarHBondContact OD1-SG 3.26Å; D361-C364 VanDerWaalsContact OD1-SG 3.36Å
362	E	95.1	Very high	94.8	Very high	136 Å²	136	59.4 Å²	59.4	64%	0.636	29%	0.286	S	S	*	.	H	α-helix	trans	-74.6	-48.5	-176.5	-174.2	161.3	-145.9	0	0	112.3	C364 R365 D366	E362-C364 VanDerWaalsContact C-N 3.27Å; E362-C364 PolarHBondContact O-N 2.6Å; E362-R365 WeakPolarHBondContact O-CB 3.24Å; E362-R365 PolarHBondContact O-N 2.95Å; E362-D366 PolarHBondContact O-N 2.95Å; E362-D366 VanDerWaalsContact O-N 3.16Å
363	R	95.9	Very high	94.6	Very high	176 Å²	176	63.4 Å²	63.4	66%	0.664	31%	0.307	S	S	*	.	H	α-helix	trans	-64.1	-33	179.1	-61.8	173.5	179.1	170.5	-2.7	112	D361 R365 D366 L367	D361-R363 WeakPolarHBondContact OD1-CA 3.36Å; D361-R363 WeakPolarHBondContact OD1-CB 3.47Å; D361-R363 PolarHBondContact OD1-N 2.74Å; R363-R365 VanDerWaalsContact C-N 3.25Å; R363-R365 PolarHBondContact O-N 2.91Å; R363-D366 PolarHBondContact O-N 2.83Å; R363-L367 WeakPolarHBondContact O-CG 3.43Å; R363-L367 PolarHBondContact O-N 2.91Å
364	C	96.5	Very high	94.4	Very high	0 Å²	0	63.3 Å²	63.3	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-62.9	-32.1	174.2	-70.1	0	0	0	0	112.5	S332 L335 V358 D361 E362 V368	S332-C364 WeakPolarHBondContact CA-SG 3.5Å; L335-C364 HydrophobicContact CD2-CB 4Å; V358-C364 HydrophobicContact CB-CB 4.47Å; V358-C364 HydrophobicContact CG1-CB 3.99Å; V358-C364 VanDerWaalsContact O-CB 3.24Å; V358-C364 WeakPolarHBondContact O-CB 3.31Å; D361-C364 HydrophobicContact CB-CB 3.85Å; D361-C364 VanDerWaalsContact CB-SG 3.6Å; D361-C364 PolarHBondContact OD1-N 3.12Å; D361-C364 PolarHBondContact OD1-SG 3.26Å; D361-C364 VanDerWaalsContact OD1-SG 3.36Å; E362-C364 VanDerWaalsContact C-N 3.27Å; E362-C364 PolarHBondContact O-N 2.6Å; C364-V368 WeakPolarHBondContact O-CB 3.36Å; C364-V368 VanDerWaalsContact O-CG2 3.23Å; C364-V368 WeakPolarHBondContact O-CG2 3.38Å; C364-V368 PolarHBondContact O-N 3.34Å
365	R	96.2	Very high	93.9	Very high	99 Å²	99	61.6 Å²	61.6	37%	0.374	29%	0.291	S	S	.	.	H	α-helix	trans	-74.1	-44	172.8	-62.1	-177	-56.7	-110.6	1.5	110.8	R359 E362 R363 L367 V368 D369	R359-R365 PolarHBondContact O-NH1 3.35Å; E362-R365 WeakPolarHBondContact O-CB 3.24Å; E362-R365 PolarHBondContact O-N 2.95Å; R363-R365 VanDerWaalsContact C-N 3.25Å; R363-R365 PolarHBondContact O-N 2.91Å; R365-L367 VanDerWaalsContact C-N 3.33Å; R365-L367 PolarHBondContact O-N 3.11Å; R365-V368 CarbonylContact O-C 3.58Å; R365-V368 WeakPolarHBondContact O-CA 3.44Å; R365-V368 WeakPolarHBondContact O-CB 3.47Å; R365-V368 PolarHBondContact O-N 3.18Å; R365-D369 PolarHBondContact O-N 2.86Å
366	D	96.4	Very high	93.6	Very high	96 Å²	96	65.8 Å²	65.8	51%	0.513	31%	0.313	S	S	.	.	H	α-helix	trans	-55.8	-46.3	177.9	-55.3	-27.6	0	0	0	111.7	E362 R363 V368 D369 E370	E362-D366 PolarHBondContact O-N 2.95Å; E362-D366 VanDerWaalsContact O-N 3.16Å; R363-D366 PolarHBondContact O-N 2.83Å; D366-V368 VanDerWaalsContact C-N 3.31Å; D366-V368 PolarHBondContact O-N 3.25Å; D366-D369 PolarHBondContact O-N 3.09Å; D366-E370 WeakPolarHBondContact O-CB 3.49Å; D366-E370 PolarHBondContact O-N 3.08Å
367	L	96.4	Very high	93.2	Very high	15 Å²	15	62.5 Å²	62.5	8%	0.079	30%	0.295	C	S	.	.	H	α-helix	trans	-62.5	-35	175.4	-71.6	170.7	0	0	0	113.2	L335 E336 L340 R363 R365 A371	L335-L367 HydrophobicContact CB-CD1 4.19Å; L335-L367 HydrophobicContact CD2-CD1 4.38Å; L335-L367 HydrophobicContact CG-CD1 4.37Å; E336-L367 HydrophobicContact CB-CD1 4.24Å; L340-L367 HydrophobicContact CD1-CB 3.97Å; R363-L367 WeakPolarHBondContact O-CG 3.43Å; R363-L367 PolarHBondContact O-N 2.91Å; R365-L367 VanDerWaalsContact C-N 3.33Å; R365-L367 PolarHBondContact O-N 3.11Å; L367-A371 PolarHBondContact O-N 2.84Å
368	V	96.7	Very high	92.3	Very high	4 Å²	4	65.2 Å²	65.2	2%	0.024	31%	0.314	C	S	.	.	H	α-helix	trans	-75.6	-33.7	178.1	162.6	0	0	0	0	111.6	L340 L348 V352 S353 V358 C364 R365 D366 A371 K372	L340-V368 HydrophobicContact CD1-CG2 3.81Å; L348-V368 HydrophobicContact CD1-CG1 4.41Å; L348-V368 HydrophobicContact CD1-CG2 4.49Å; V352-V368 HydrophobicContact CG1-CG2 3.63Å; S353-V368 VanDerWaalsContact OG-CG1 3.26Å; S353-V368 WeakPolarHBondContact OG-CG1 3.17Å; V358-V368 HydrophobicContact CG1-CG2 3.9Å; C364-V368 WeakPolarHBondContact O-CB 3.36Å; C364-V368 VanDerWaalsContact O-CG2 3.23Å; C364-V368 WeakPolarHBondContact O-CG2 3.38Å; C364-V368 PolarHBondContact O-N 3.34Å; R365-V368 CarbonylContact O-C 3.58Å; R365-V368 WeakPolarHBondContact O-CA 3.44Å; R365-V368 WeakPolarHBondContact O-CB 3.47Å; R365-V368 PolarHBondContact O-N 3.18Å; D366-V368 VanDerWaalsContact C-N 3.31Å; D366-V368 PolarHBondContact O-N 3.25Å; V368-A371 PolarHBondContact O-N 3.36Å; V368-K372 WeakPolarHBondContact O-CG 3.32Å; V368-K372 PolarHBondContact O-N 3.02Å
369	D	94.9	Very high	91.2	Very high	72 Å²	72	73.9 Å²	73.9	39%	0.385	35%	0.354	S	S	.	.	H	α-helix	trans	-77.3	-38	177.4	-69.1	-22.9	0	0	0	111.3	R365 D366 A371 K372 D373	R365-D369 PolarHBondContact O-N 2.86Å; D366-D369 PolarHBondContact O-N 3.09Å; D369-A371 VanDerWaalsContact C-N 3.25Å; D369-A371 PolarHBondContact O-N 3.41Å; D369-K372 WeakPolarHBondContact O-CB 3.28Å; D369-K372 PolarHBondContact O-N 2.63Å; D369-K372 VanDerWaalsContact O-N 3.07Å; D369-K372 WeakPolarHBondContact OD1-CD 3.42Å; D369-K372 WeakPolarHBondContact OD1-CE 3.37Å; D369-K372 IonicContact OD1-NZ 3.01Å; D369-K372 PolarHBondContact OD1-NZ 3.41Å; D369-D373 PolarHBondContact O-N 2.99Å
370	E	94.1	Very high	90.5	Very high	66 Å²	66	72 Å²	72	31%	0.308	35%	0.351	S	S	.	.	H	α-helix	trans	-51.1	-45.6	165.7	-179.3	-167.9	119.6	0	0	111.6	D366 D373 Y374 R388	D366-E370 WeakPolarHBondContact O-CB 3.49Å; D366-E370 PolarHBondContact O-N 3.08Å; E370-D373 PolarHBondContact O-N 3.3Å; E370-Y374 PolarHBondContact O-N 3.36Å; E370-R388 IonicContact OE1-CZ 3.98Å; E370-R388 IonicContact OE1-NE 3.34Å; E370-R388 PolarHBondContact OE1-NE 3.34Å; E370-R388 IonicContact OE1-NH2 3.4Å; E370-R388 IonicContact OE2-CZ 2.85Å; E370-R388 IonicContact OE2-NE 3.82Å; E370-R388 PolarHBondContact OE2-NE 3.36Å; E370-R388 IonicContact OE2-NH2 3.43Å; E370-R388 PolarHBondContact OE2-NH2 2.78Å
371	A	93.5	Very high	90	Very high	0 Å²	0	73.1 Å²	73.1	0%	0	35%	0.348	C	S	.	.	H	α-helix	trans	-69.3	-33.7	178.5	0	0	0	0	0	113.3	L340 P341 L348 L367 V368 D369 L375	L340-A371 HydrophobicContact CB-CB 3.59Å; P341-A371 HydrophobicContact CB-CB 4.49Å; P341-A371 HydrophobicContact CG-CB 4.09Å; L348-A371 HydrophobicContact CD1-CB 4.02Å; L348-A371 HydrophobicContact CD2-CB 3.69Å; L367-A371 PolarHBondContact O-N 2.84Å; V368-A371 PolarHBondContact O-N 3.36Å; D369-A371 VanDerWaalsContact C-N 3.25Å; D369-A371 PolarHBondContact O-N 3.41Å; A371-L375 VanDerWaalsContact O-CG 3.29Å; A371-L375 WeakPolarHBondContact O-CG 3.27Å; A371-L375 PolarHBondContact O-N 3.47Å; A371-L375 VanDerWaalsContact O-N 3.15Å
372	K	93.9	Very high	89.1	Confident	57 Å²	57	76.2 Å²	76.2	25%	0.248	37%	0.37	C	S	.	.	H	α-helix	trans	-66.2	-47.8	173	-72.8	167.1	-162.2	156.6	0	110.7	L348 S353 V368 D369 Y374 L375 L376	L348-K372 HydrophobicContact CD2-CG 3.97Å; S353-K372 WeakPolarHBondContact OG-CE 3.35Å; V368-K372 WeakPolarHBondContact O-CG 3.32Å; V368-K372 PolarHBondContact O-N 3.02Å; D369-K372 WeakPolarHBondContact O-CB 3.28Å; D369-K372 PolarHBondContact O-N 2.63Å; D369-K372 VanDerWaalsContact O-N 3.07Å; D369-K372 WeakPolarHBondContact OD1-CD 3.42Å; D369-K372 WeakPolarHBondContact OD1-CE 3.37Å; D369-K372 IonicContact OD1-NZ 3.01Å; D369-K372 PolarHBondContact OD1-NZ 3.41Å; K372-Y374 VanDerWaalsContact C-N 3.33Å; K372-Y374 PolarHBondContact O-N 3.16Å; K372-L375 PolarHBondContact O-N 3.34Å; K372-L375 VanDerWaalsContact O-N 3.09Å; K372-L376 HydrophobicContact CB-CD1 4.32Å; K372-L376 WeakPolarHBondContact O-CB 3.15Å; K372-L376 WeakPolarHBondContact O-CG 3.34Å; K372-L376 PolarHBondContact O-N 2.89Å
373	D	91.9	Very high	88.3	Confident	83 Å²	83	77 Å²	77	44%	0.444	38%	0.377	S	S	.	.	H	α-helix	trans	-60.7	-44.3	-179.6	-73.9	-11.9	0	0	0	110.9	D369 E370 L375 L376 L377 M384	D369-D373 PolarHBondContact O-N 2.99Å; E370-D373 PolarHBondContact O-N 3.3Å; D373-L375 VanDerWaalsContact C-N 3.3Å; D373-L375 PolarHBondContact O-N 3.16Å; D373-L376 PolarHBondContact O-N 3.03Å; D373-L377 HydrophobicContact CB-CD1 4.39Å; D373-L377 VanDerWaalsContact O-CB 3.29Å; D373-L377 WeakPolarHBondContact O-CB 3.42Å; D373-L377 WeakPolarHBondContact O-CG 3.45Å; D373-L377 PolarHBondContact O-N 3.28Å; D373-M384 HydrophobicContact CB-CE 3.99Å
374	Y	88.8	Confident	87.5	Confident	24 Å²	24	71.4 Å²	71.4	9%	0.094	36%	0.36	C	S	.	.	H	α-helix	trans	-58.1	-40.8	174.2	-175.6	-96.7	0	0	0	112.6	P341 L342 E370 K372 R381 M384 Q385 T389	P341-Y374 HydrophobicContact CB-CD1 3.49Å; P341-Y374 VanDerWaalsContact CB-CD1 3.49Å; P341-Y374 HydrophobicContact CB-CE1 4.04Å; P341-Y374 HydrophobicContact CB-CG 3.79Å; P341-Y374 WeakPolarHBondContact O-CD1 3.47Å; L342-Y374 HydrophobicContact CD2-CE1 4.46Å; E370-Y374 PolarHBondContact O-N 3.36Å; K372-Y374 VanDerWaalsContact C-N 3.33Å; K372-Y374 PolarHBondContact O-N 3.16Å; Y374-R381 HydrophobicContact CD1-CG 4.46Å; Y374-R381 HydrophobicContact CD2-CB 4.35Å; Y374-R381 HydrophobicContact CD2-CG 3.86Å; Y374-R381 HydrophobicContact CE1-CG 4.3Å; Y374-R381 HydrophobicContact CE2-CB 3.79Å; Y374-R381 HydrophobicContact CE2-CG 3.64Å; Y374-R381 HydrophobicContact CG-CG 4.28Å; Y374-R381 WeakPolarHBondContact O-CG 3.12Å; Y374-R381 PolarHBondContact O-NE 3.21Å; Y374-M384 HydrophobicContact CD2-CB 3.88Å; Y374-M384 HydrophobicContact CD2-SD 4.21Å; Y374-M384 HydrophobicContact CE2-CB 4.34Å; Y374-Q385 PolarHBondContact OH-NE2 2.9Å; Y374-T389 HydrophobicContact CD2-CG2 3.69Å; Y374-T389 HydrophobicContact CE2-CG2 3.52Å; Y374-T389 HydrophobicContact CG-CG2 4.3Å
375	L	84	Confident	86.7	Confident	36 Å²	36	76.5 Å²	76.5	19%	0.188	38%	0.383	C	S	.	.	H	α-helix	trans	-72.3	-39.1	178	-71.6	171.5	0	0	0	112.3	P345 L348 A371 K372 D373 R381	P345-L375 HydrophobicContact CB-CD1 4.44Å; P345-L375 HydrophobicContact CG-CD1 4.18Å; P345-L375 HydrophobicContact CG-CD2 4.35Å; L348-L375 HydrophobicContact CD2-CD1 3.64Å; A371-L375 VanDerWaalsContact O-CG 3.29Å; A371-L375 WeakPolarHBondContact O-CG 3.27Å; A371-L375 PolarHBondContact O-N 3.47Å; A371-L375 VanDerWaalsContact O-N 3.15Å; K372-L375 PolarHBondContact O-N 3.34Å; K372-L375 VanDerWaalsContact O-N 3.09Å; D373-L375 VanDerWaalsContact C-N 3.3Å; D373-L375 PolarHBondContact O-N 3.16Å; L375-R381 PolarHBondContact O-NH2 3.21Å
376	L	87.9	Confident	86	Confident	127 Å²	127	73.2 Å²	73.2	67%	0.665	38%	0.381	S	S	*	.	H	α-helix	trans	-77.8	-25.4	-177.2	-70.1	170	0	0	0	114.2	K372 D373 P378	K372-L376 HydrophobicContact CB-CD1 4.32Å; K372-L376 WeakPolarHBondContact O-CB 3.15Å; K372-L376 WeakPolarHBondContact O-CG 3.34Å; K372-L376 PolarHBondContact O-N 2.89Å; D373-L376 PolarHBondContact O-N 3.03Å; L376-P378 WeakPolarHBondContact O-CD 3.19Å
377	L	85.3	Confident	85.4	Confident	68 Å²	68	74 Å²	74	36%	0.356	39%	0.391	S	S	.	.			trans	-110.7	63.8	-175.7	-57.7	174.1	0	0	0	112.2	D373 Q379 E380 R381	D373-L377 HydrophobicContact CB-CD1 4.39Å; D373-L377 VanDerWaalsContact O-CB 3.29Å; D373-L377 WeakPolarHBondContact O-CB 3.42Å; D373-L377 WeakPolarHBondContact O-CG 3.45Å; D373-L377 PolarHBondContact O-N 3.28Å; L377-Q379 PolarHBondContact O-N 2.71Å; L377-E380 HydrophobicContact CB-CB 4.15Å; L377-E380 HydrophobicContact CB-CG 4.44Å; L377-E380 PolarHBondContact O-N 2.86Å; L377-R381 PolarHBondContact O-N 2.68Å
378	P	75.9	Confident	85	Confident	78 Å²	78	75.9 Å²	75.9	51%	0.506	40%	0.397	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-22.1	-174.3	26.6	-35.9	0	0	0	114.4	L376	L376-P378 WeakPolarHBondContact O-CD 3.19Å
379	Q	71.4	Confident	84.4	Confident	184 Å²	184	76 Å²	76	86%	0.86	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.4	-26.5	176.5	-60.5	-178.7	11.9	0	0	112.7	L377 P382	L377-Q379 PolarHBondContact O-N 2.71Å; Q379-P382 WeakPolarHBondContact O-CD 3.46Å
380	E	80.1	Confident	83.6	Confident	101 Å²	101	77.5 Å²	77.5	47%	0.472	40%	0.401	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.7	-11.8	-177.2	-58.9	-169	-177.8	0	0	113.1	L377 P382 L383 M384	L377-E380 HydrophobicContact CB-CB 4.15Å; L377-E380 HydrophobicContact CB-CG 4.44Å; L377-E380 PolarHBondContact O-N 2.86Å; E380-P382 WeakPolarHBondContact O-CD 3.39Å; E380-L383 WeakPolarHBondContact O-CA 3.4Å; E380-L383 WeakPolarHBondContact O-CB 3.38Å; E380-L383 PolarHBondContact O-N 2.91Å; E380-M384 HydrophobicContact CB-SD 4.47Å; E380-M384 PolarHBondContact O-N 3.2Å
381	R	81.3	Confident	82.6	Confident	79 Å²	79	78.4 Å²	78.4	30%	0.298	41%	0.413	S	S	.	.	T	Hydrogen-bonded Turn	trans	-43.7	-36.9	174.4	-68.2	-177.5	-172.6	165.4	7.6	115.4	Y374 L375 L377 L383 M384 Q385	Y374-R381 HydrophobicContact CD1-CG 4.46Å; Y374-R381 HydrophobicContact CD2-CB 4.35Å; Y374-R381 HydrophobicContact CD2-CG 3.86Å; Y374-R381 HydrophobicContact CE1-CG 4.3Å; Y374-R381 HydrophobicContact CE2-CB 3.79Å; Y374-R381 HydrophobicContact CE2-CG 3.64Å; Y374-R381 HydrophobicContact CG-CG 4.28Å; Y374-R381 WeakPolarHBondContact O-CG 3.12Å; Y374-R381 PolarHBondContact O-NE 3.21Å; L375-R381 PolarHBondContact O-NH2 3.21Å; L377-R381 PolarHBondContact O-N 2.68Å; R381-L383 PolarHBondContact O-N 2.89Å; R381-M384 PolarHBondContact O-N 3.05Å; R381-Q385 PolarHBondContact O-NE2 3.19Å
382	P	74.7	Confident	81.7	Confident	100 Å²	100	79.2 Å²	79.2	65%	0.649	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.4	-25.1	175.3	-24.4	36.2	0	0	0	114.6	Q379 E380	Q379-P382 WeakPolarHBondContact O-CD 3.46Å; E380-P382 WeakPolarHBondContact O-CD 3.39Å
383	L	78	Confident	80.3	Confident	151 Å²	151	81.6 Å²	81.6	79%	0.791	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.7	-26.4	176.3	-55.7	175.8	0	0	0	112.1	E380 R381 Q385	E380-L383 WeakPolarHBondContact O-CA 3.4Å; E380-L383 WeakPolarHBondContact O-CB 3.38Å; E380-L383 PolarHBondContact O-N 2.91Å; R381-L383 PolarHBondContact O-N 2.89Å; L383-Q385 VanDerWaalsContact C-N 3.28Å; L383-Q385 PolarHBondContact O-N 3.37Å
384	M	79	Confident	78.5	Confident	60 Å²	60	81.4 Å²	81.4	30%	0.296	42%	0.424	S	S	.	.	S	Bend	trans	-86.8	18	-177.2	-56	178.3	79.9	0	0	113.8	D373 Y374 E380 R381 T389	D373-M384 HydrophobicContact CB-CE 3.99Å; Y374-M384 HydrophobicContact CD2-CB 3.88Å; Y374-M384 HydrophobicContact CD2-SD 4.21Å; Y374-M384 HydrophobicContact CE2-CB 4.34Å; E380-M384 HydrophobicContact CB-SD 4.47Å; E380-M384 PolarHBondContact O-N 3.2Å; R381-M384 PolarHBondContact O-N 3.05Å; M384-T389 WeakPolarHBondContact O-CG2 3.24Å
385	Q	80.5	Confident	76.6	Confident	106 Å²	106	83.1 Å²	83.1	50%	0.495	43%	0.434	S	S	.	.			trans	-76.1	129	-172.7	-69.1	-58.3	-52.5	0	0	113.1	Y374 R381 L383 T389	Y374-Q385 PolarHBondContact OH-NE2 2.9Å; R381-Q385 PolarHBondContact O-NE2 3.19Å; L383-Q385 VanDerWaalsContact C-N 3.28Å; L383-Q385 PolarHBondContact O-N 3.37Å; Q385-T389 WeakPolarHBondContact CA-OG1 3.44Å; Q385-T389 PolarHBondContact OE1-OG1 3.25Å
386	G	80.6	Confident	74.8	Confident	31 Å²	31	85.3 Å²	85.3	32%	0.32	44%	0.444	S	S	.	.	S	Bend	trans	-161.9	-174.4	177.7	0	0	0	0	0	113.1	R388 T389 K390	G386-R388 PolarHBondContact O-N 3.44Å; G386-T389 PolarHBondContact N-OG1 3.23Å; G386-T389 PolarHBondContact O-N 2.95Å; G386-T389 PolarHBondContact O-OG1 3.45Å; G386-T389 VanDerWaalsContact O-OG1 3.09Å; G386-K390 PolarHBondContact O-N 3.01Å
387	P	83.7	Confident	73	Confident	113 Å²	113	79.6 Å²	79.6	73%	0.734	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.9	-37	-177.8	-26.7	35.6	0	0	0	113.8
388	R	89.8	Confident	71.9	Confident	54 Å²	54	77.3 Å²	77.3	20%	0.204	41%	0.408	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.3	-15.8	178.2	-70.5	-173.1	-73.4	-93.9	14.5	114.9	E336 R339 P341 E370 G386	E336-R388 IonicContact OE1-CZ 2.79Å; E336-R388 IonicContact OE1-NH1 3.13Å; E336-R388 PolarHBondContact OE1-NH1 2.98Å; R339-R388 WeakPolarHBondContact CB-O 3.46Å; P341-R388 WeakPolarHBondContact CD-O 3.33Å; P341-R388 HydrophobicContact CG-CB 4.27Å; E370-R388 IonicContact OE1-CZ 3.98Å; E370-R388 IonicContact OE1-NE 3.34Å; E370-R388 PolarHBondContact OE1-NE 3.34Å; E370-R388 IonicContact OE1-NH2 3.4Å; E370-R388 IonicContact OE2-CZ 2.85Å; E370-R388 IonicContact OE2-NE 3.82Å; E370-R388 PolarHBondContact OE2-NE 3.36Å; E370-R388 IonicContact OE2-NH2 3.43Å; E370-R388 PolarHBondContact OE2-NH2 2.78Å; G386-R388 PolarHBondContact O-N 3.44Å
389	T	82.8	Confident	72.2	Confident	7 Å²	7	74.8 Å²	74.8	4%	0.043	39%	0.39	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.3	-9.4	178.1	69	0	0	0	0	113.3	P341 Y374 M384 Q385 G386 P391	P341-T389 HydrophobicContact CB-CG2 4.11Å; P341-T389 HydrophobicContact CG-CG2 4.18Å; Y374-T389 HydrophobicContact CD2-CG2 3.69Å; Y374-T389 HydrophobicContact CE2-CG2 3.52Å; Y374-T389 HydrophobicContact CG-CG2 4.3Å; M384-T389 WeakPolarHBondContact O-CG2 3.24Å; Q385-T389 WeakPolarHBondContact CA-OG1 3.44Å; Q385-T389 PolarHBondContact OE1-OG1 3.25Å; G386-T389 PolarHBondContact N-OG1 3.23Å; G386-T389 PolarHBondContact O-N 2.95Å; G386-T389 PolarHBondContact O-OG1 3.45Å; G386-T389 VanDerWaalsContact O-OG1 3.09Å; T389-P391 WeakPolarHBondContact O-CD 3.37Å
390	K	79.1	Confident	72.9	Confident	102 Å²	102	66.8 Å²	66.8	44%	0.443	35%	0.353	S	S	.	.	S	Bend	trans	-79.3	120.3	178.1	-176.3	-168.4	-177.7	-173	0	110.1	D302 R339 G386	D302-K390 IonicContact OD1-NZ 3.26Å; D302-K390 WeakPolarHBondContact OD2-CE 3.44Å; D302-K390 IonicContact OD2-NZ 2.67Å; D302-K390 PolarHBondContact OD2-NZ 2.86Å; R339-K390 VanDerWaalsContact CD-O 3.28Å; R339-K390 WeakPolarHBondContact CD-O 3.09Å; R339-K390 PolarHBondContact NH1-O 2.95Å; G386-K390 PolarHBondContact O-N 3.01Å
391	P	72.9	Confident	73.5	Confident	86 Å²	86	62 Å²	62	56%	0.558	33%	0.33	S	S	*	.	P	Polyproline II helix	trans	-61.3	150.2	173.6	-23.4	35	0	0	0	112.5	L342 T389	L342-P391 HydrophobicContact CD1-CB 4.25Å; L342-P391 HydrophobicContact CD1-CG 4.13Å; T389-P391 WeakPolarHBondContact O-CD 3.37Å
392	R	74.9	Confident	74.2	Confident	16 Å²	16	58.2 Å²	58.2	6%	0.06	32%	0.316	C	S	.	.	P	Polyproline II helix	trans	-66.3	156.2	170.8	-67.9	-169.9	-150.1	-99.8	-5.1	111.1	L299 S301 D302 E309 H337 R339 I394	L299-R392 PolarHBondContact O-NH1 3.4Å; S301-R392 PolarHBondContact O-NH1 2.87Å; D302-R392 CarbonylContact O-C 3.57Å; D302-R392 WeakPolarHBondContact O-CA 3.39Å; D302-R392 WeakPolarHBondContact O-CB 3.26Å; E309-R392 IonicContact OE1-CZ 3.63Å; E309-R392 IonicContact OE1-NE 2.71Å; E309-R392 PolarHBondContact OE1-NE 3.38Å; E309-R392 IonicContact OE1-NH2 2.75Å; E309-R392 PolarHBondContact OE1-NH2 2.76Å; E309-R392 IonicContact OE2-CZ 2.7Å; E309-R392 IonicContact OE2-NE 3.1Å; E309-R392 IonicContact OE2-NH2 3.28Å; E309-R392 PolarHBondContact OE2-NH2 2.93Å; H337-R392 PolarHBondContact O-NH2 2.86Å; R339-R392 VanDerWaalsContact CZ-CG 3.46Å; R392-I394 PolarHBondContact O-N 3.39Å; R392-I394 VanDerWaalsContact O-N 3.1Å
393	K	64.5	Low	75.3	Confident	107 Å²	107	53.6 Å²	53.6	47%	0.465	29%	0.286	S	S	.	.			trans	-71.1	100.6	168.9	-55.8	-168.2	-136.5	116.8	0	107.4	D302 D303 L395	D302-K393 HydrophobicContact CB-CG 4.42Å; D302-K393 PolarHBondContact O-N 2.99Å; D303-K393 VanDerWaalsContact OD1-CD 3.27Å; D303-K393 WeakPolarHBondContact OD1-CD 3.36Å; D303-K393 WeakPolarHBondContact OD1-CE 3.38Å; D303-K393 IonicContact OD1-NZ 2.99Å; D303-K393 PolarHBondContact OD1-NZ 2.76Å; D303-K393 IonicContact OD2-NZ 2.71Å; D303-K393 PolarHBondContact OD2-NZ 3.02Å; K393-L395 PolarHBondContact O-N 2.83Å; K393-L395 VanDerWaalsContact O-N 3.11Å
394	I	52.9	Low	76.2	Confident	80 Å²	80	46.4 Å²	46.4	41%	0.41	25%	0.249	S	C	.	.			trans	-61.9	111.3	179.3	-60.4	171.9	0	0	0	108.8	R392 G397	R392-I394 PolarHBondContact O-N 3.39Å; R392-I394 VanDerWaalsContact O-N 3.1Å; I394-G397 VanDerWaalsContact CG2-CA 3.44Å; I394-G397 VanDerWaalsContact CG2-N 3.29Å
395	L	49.8	Very low	77.1	Confident	59 Å²	59	43.6 Å²	43.6	31%	0.309	24%	0.235	S	C	.	.	S	Bend	trans	-92.6	-24	179.9	-56.7	-173.3	0	0	0	113.7	L276 D303 N305 K393	L276-L395 HydrophobicContact CD2-CB 4.02Å; L276-L395 HydrophobicContact CD2-CD1 3.63Å; L276-L395 HydrophobicContact CD2-CG 4.47Å; L276-L395 HydrophobicContact CG-CD1 4.1Å; D303-L395 HydrophobicContact CB-CD1 4.3Å; D303-L395 WeakPolarHBondContact O-CD1 3.42Å; N305-L395 HydrophobicContact CB-CB 4.35Å; N305-L395 WeakPolarHBondContact OD1-CB 3.38Å; K393-L395 PolarHBondContact O-N 2.83Å; K393-L395 VanDerWaalsContact O-N 3.11Å
396	Q	45.6	Very low	77.9	Confident	83 Å²	83	38.5 Å²	38.5	39%	0.388	21%	0.211	S	C	.	.	S	Bend	trans	-96.5	-35.4	179.7	-98.6	159.5	24.6	0	0	113.9	N305 G398	N305-Q396 VanDerWaalsContact ND2-CG 3.3Å; N305-Q396 WeakPolarHBondContact ND2-CG 3.36Å; N305-Q396 PolarHBondContact ND2-NE2 3.04Å; N305-Q396 WeakPolarHBondContact OD1-CA 3.44Å; N305-Q396 WeakPolarHBondContact OD1-CB 3.35Å; N305-Q396 WeakPolarHBondContact OD1-CG 3.35Å; N305-Q396 PolarHBondContact OD1-N 3.1Å; Q396-G398 PolarHBondContact O-N 2.91Å
397	G	50	Low	78.6	Confident	7 Å²	7	38.4 Å²	38.4	7%	0.072	20%	0.201	C	C	.	.	S	Bend	trans	-73.5	57.5	164.2	0	0	0	0	0	110.8	I394 L682	I394-G397 VanDerWaalsContact CG2-CA 3.44Å; I394-G397 VanDerWaalsContact CG2-N 3.29Å; G397-L682 VanDerWaalsContact CA-O 3.25Å; G397-L682 WeakPolarHBondContact CA-O 3.29Å
398	G	63.5	Low	79.1	Confident	19 Å²	19	34.3 Å²	34.3	20%	0.196	18%	0.175	C	C	.	.	P	Polyproline II helix	trans	-59.7	143.8	-163.7	0	0	0	0	0	113	Q396 L400	Q396-G398 PolarHBondContact O-N 2.91Å; G398-L400 PolarHBondContact O-N 3.07Å
399	E	80.7	Confident	79.1	Confident	26 Å²	26	36.3 Å²	36.3	12%	0.121	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62	124.9	173.8	-67.7	-176.3	146.6	0	0	110	V633 N634 V679 V680 R681	E399-V633 HydrophobicContact CB-CG2 3.52Å; E399-V633 WeakPolarHBondContact O-CG2 3.36Å; E399-V633 WeakPolarHBondContact OE2-CA 3.42Å; E399-N634 WeakPolarHBondContact CB-OD1 3.43Å; E399-N634 PolarHBondContact N-ND2 3.05Å; E399-N634 PolarHBondContact N-OD1 2.77Å; E399-N634 PolarHBondContact O-ND2 2.83Å; E399-N634 PolarHBondContact OE2-N 3.39Å; E399-V679 HydrophobicContact CB-CG1 3.67Å; E399-V679 HydrophobicContact CG-CG1 4.15Å; E399-V680 WeakPolarHBondContact CA-O 3.36Å; E399-R681 HydrophobicContact CG-CG 3.79Å; E399-R681 IonicContact OE1-CZ 2.71Å; E399-R681 IonicContact OE1-NE 3.83Å; E399-R681 PolarHBondContact OE1-NE 2.95Å; E399-R681 IonicContact OE1-NH2 2.86Å; E399-R681 PolarHBondContact OE1-NH2 2.88Å
400	L	87	Confident	79.4	Confident	16 Å²	16	37 Å²	37	8%	0.084	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	122.2	175.1	-70	-169.5	0	0	0	110	G398 F402 V679 V680 L682 L689	G398-L400 PolarHBondContact O-N 3.07Å; L400-F402 HydrophobicContact CB-CD2 4.29Å; L400-F402 HydrophobicContact CB-CE2 3.66Å; L400-F402 HydrophobicContact CB-CZ 4.38Å; L400-F402 HydrophobicContact CD1-CE2 4.47Å; L400-F402 HydrophobicContact CD1-CZ 4.42Å; L400-F402 WeakPolarHBondContact O-CD2 3.01Å; L400-V679 WeakPolarHBondContact O-CA 3.39Å; L400-V680 PolarHBondContact N-O 2.73Å; L400-V680 PolarHBondContact O-N 2.71Å; L400-L682 HydrophobicContact CD1-CD1 3.48Å; L400-L682 VanDerWaalsContact CD1-CD1 3.48Å; L400-L682 HydrophobicContact CD1-CG 4.03Å; L400-L682 HydrophobicContact CG-CD1 4.06Å; L400-L682 HydrophobicContact CG-CG 4.3Å; L400-L689 HydrophobicContact CD1-CD1 3.52Å
401	L	93	Very high	80.1	Confident	0 Å²	0	36.5 Å²	36.5	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	110.7	178.8	170.7	51.2	0	0	0	110.2	H418 Y419 A631 V633 I638 I640 V677 V679	L401-H418 CarbonylContact O-C 3.55Å; L401-H418 WeakPolarHBondContact O-CA 3.37Å; L401-Y419 PolarHBondContact O-N 3.37Å; L401-A631 HydrophobicContact CD1-CB 3.57Å; L401-A631 HydrophobicContact CD2-CB 4.26Å; L401-V633 HydrophobicContact CB-CB 4.05Å; L401-V633 HydrophobicContact CB-CG1 4.17Å; L401-V633 HydrophobicContact CB-CG2 3.89Å; L401-V633 HydrophobicContact CD2-CB 4.14Å; L401-V633 HydrophobicContact CD2-CG1 3.69Å; L401-I638 HydrophobicContact CD2-CB 4.02Å; L401-I638 HydrophobicContact CD2-CD1 4.11Å; L401-I638 HydrophobicContact CD2-CG1 4.4Å; L401-I638 HydrophobicContact CD2-CG2 4.1Å; L401-I640 HydrophobicContact CD1-CD1 3.89Å; L401-I640 HydrophobicContact CD2-CD1 3.61Å; L401-I640 HydrophobicContact CG-CD1 3.78Å; L401-V677 HydrophobicContact CD1-CB 4.16Å; L401-V679 HydrophobicContact CB-CG2 4.28Å; L401-V679 HydrophobicContact CD1-CG2 3.73Å
402	F	95.8	Very high	81.3	Confident	0 Å²	0	32.5 Å²	32.5	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	141	179.2	-66.8	-106.6	0	0	0	111.5	L400 I404 E417 H418 V429 L448 Y466 P468 V677 G678 V680	L400-F402 HydrophobicContact CB-CD2 4.29Å; L400-F402 HydrophobicContact CB-CE2 3.66Å; L400-F402 HydrophobicContact CB-CZ 4.38Å; L400-F402 HydrophobicContact CD1-CE2 4.47Å; L400-F402 HydrophobicContact CD1-CZ 4.42Å; L400-F402 WeakPolarHBondContact O-CD2 3.01Å; F402-I404 HydrophobicContact CB-CD1 3.87Å; F402-I404 HydrophobicContact CB-CG1 4.46Å; F402-E417 CarbonylContact C-O 3.37Å; F402-E417 WeakPolarHBondContact CA-O 3.49Å; F402-H418 HydrophobicContact CD1-CB 3.75Å; F402-H418 HydrophobicContact CD2-CB 4.29Å; F402-H418 HydrophobicContact CE1-CB 3.74Å; F402-H418 HydrophobicContact CE2-CB 4.28Å; F402-H418 HydrophobicContact CG-CB 4.03Å; F402-H418 HydrophobicContact CZ-CB 4Å; F402-V429 HydrophobicContact CD1-CG2 4.35Å; F402-V429 HydrophobicContact CE1-CG1 4.28Å; F402-V429 HydrophobicContact CE1-CG2 4.35Å; F402-L448 HydrophobicContact CB-CD2 3.74Å; F402-L448 HydrophobicContact CD1-CD1 4.03Å; F402-L448 HydrophobicContact CD2-CD1 3.75Å; F402-L448 HydrophobicContact CD2-CD2 4.02Å; F402-L448 HydrophobicContact CE1-CD1 4.1Å; F402-L448 HydrophobicContact CE2-CD1 3.84Å; F402-L448 HydrophobicContact CG-CD1 3.87Å; F402-L448 HydrophobicContact CG-CD2 3.92Å; F402-L448 HydrophobicContact CZ-CD1 4.02Å; F402-Y466 HydrophobicContact CD1-CE1 4.41Å; F402-Y466 HydrophobicContact CE1-CD1 4.29Å; F402-Y466 AromaticContact CE1-CE1 3.58Å; F402-Y466 HydrophobicContact CE1-CE1 3.58Å; F402-Y466 HydrophobicContact CZ-CE1 4.06Å; F402-P468 HydrophobicContact CZ-CB 4.48Å; F402-P468 HydrophobicContact CZ-CG 4.28Å; F402-V677 VanDerWaalsContact O-CA 3.25Å; F402-V677 WeakPolarHBondContact O-CA 3.34Å; F402-G678 PolarHBondContact N-O 2.9Å; F402-G678 PolarHBondContact O-N 2.95Å; F402-G678 VanDerWaalsContact O-N 3.13Å; F402-V680 HydrophobicContact CD2-CG2 4.36Å; F402-V680 HydrophobicContact CE2-CB 4.14Å; F402-V680 HydrophobicContact CE2-CG2 4.04Å
403	A	97.2	Very high	82.2	Confident	2 Å²	2	33 Å²	33	2%	0.017	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	119.6	168.6	0	0	0	0	0	109.7	A416 E417 W426 I640 M668	A403-A416 WeakPolarHBondContact O-CA 3.28Å; A403-E417 HydrophobicContact CB-CG 4.29Å; A403-E417 PolarHBondContact N-O 3.26Å; A403-E417 PolarHBondContact O-N 3.08Å; A403-E417 VanDerWaalsContact O-N 3.09Å; A403-W426 HydrophobicContact CB-CH2 4.07Å; A403-W426 HydrophobicContact CB-CZ3 3.71Å; A403-I640 HydrophobicContact CB-CG2 4.37Å; A403-M668 HydrophobicContact CB-SD 3.63Å
404	I	97.7	Very high	83.8	Confident	1 Å²	1	29 Å²	29	1%	0.005	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	123.9	-166.5	-50.8	-57.9	0	0	0	110.5	F402 A416 M432 V441 A450 W473 G675 G676	F402-I404 HydrophobicContact CB-CD1 3.87Å; F402-I404 HydrophobicContact CB-CG1 4.46Å; I404-A416 HydrophobicContact CD1-CB 3.58Å; I404-M432 HydrophobicContact CG2-CE 3.77Å; I404-M432 HydrophobicContact CG2-CG 4.49Å; I404-M432 HydrophobicContact CG2-SD 3.48Å; I404-M432 WeakPolarHBondContact CG2-SD 3.4Å; I404-V441 HydrophobicContact CB-CG2 3.94Å; I404-V441 HydrophobicContact CG1-CG1 4.42Å; I404-V441 HydrophobicContact CG1-CG2 4.04Å; I404-V441 HydrophobicContact CG2-CG2 4.24Å; I404-A450 HydrophobicContact CG2-CB 4.42Å; I404-W473 HydrophobicContact CD1-CH2 4.23Å; I404-W473 HydrophobicContact CD1-CZ2 4.12Å; I404-W473 HydrophobicContact CG2-CH2 3.93Å; I404-W473 HydrophobicContact CG2-CZ2 4.25Å; I404-G675 CarbonylContact O-C 3.46Å; I404-G675 VanDerWaalsContact O-CA 3.23Å; I404-G675 WeakPolarHBondContact O-CA 3.38Å; I404-G676 PolarHBondContact N-O 3.39Å; I404-G676 PolarHBondContact O-N 2.89Å
405	G	97.3	Very high	85.8	Confident	0 Å²	0	26.7 Å²	26.7	0%	0	16%	0.164	C	C	.	.			trans	59.1	-138	172.4	0	0	0	0	0	114.3	I413 S415 R672	G405-I413 WeakPolarHBondContact CA-O 3.27Å; G405-S415 PolarHBondContact N-O 3.41Å; G405-S415 VanDerWaalsContact N-O 3.12Å; G405-R672 WeakPolarHBondContact O-CD 3.29Å; G405-R672 WeakPolarHBondContact O-CG 3.48Å; G405-R672 PolarHBondContact O-NH1 3.48Å
406	G	97	Very high	88.1	Confident	0 Å²	0	23.9 Å²	23.9	0%	0	15%	0.149	C	C	.	.			trans	101.7	-163.5	-175.3	0	0	0	0	0	113.4	A412 I413 R436 C437 L673 G675	G406-A412 WeakPolarHBondContact O-CA 3.14Å; G406-I413 WeakPolarHBondContact O-CB 3.32Å; G406-I413 PolarHBondContact O-N 3.28Å; G406-R436 PolarHBondContact N-O 3.36Å; G406-C437 WeakPolarHBondContact O-CB 3.46Å; G406-L673 CarbonylContact C-O 3.55Å; G406-L673 VanDerWaalsContact CA-O 3.32Å; G406-L673 WeakPolarHBondContact CA-O 3.35Å; G406-G675 VanDerWaalsContact CA-CA 3.49Å
407	W	96.2	Very high	90.4	Very high	28 Å²	28	20 Å²	20	11%	0.106	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	143.5	-176.4	-173.1	-94.1	0	0	0	111.2	G410 D411 A412 C437 Y648 L673	W407-G410 WeakPolarHBondContact CH2-O 3.39Å; W407-G410 WeakPolarHBondContact CZ2-O 3.43Å; W407-D411 WeakPolarHBondContact CA-O 3.35Å; W407-A412 HydrophobicContact CE3-CB 3.85Å; W407-A412 VanDerWaalsContact CE3-N 3.33Å; W407-A412 HydrophobicContact CZ3-CB 4.04Å; W407-C437 HydrophobicContact CB-CB 3.81Å; W407-C437 HydrophobicContact CE3-CB 4.01Å; W407-C437 VanDerWaalsContact CE3-SG 3.53Å; W407-Y648 AromaticContact CD1-CE1 3.69Å; W407-Y648 AromaticContact CD1-CZ 3.98Å; W407-L673 HydrophobicContact CB-CB 4.37Å; W407-L673 PolarHBondContact N-O 2.96Å; W407-L673 PolarHBondContact O-N 2.75Å
408	C	93.5	Very high	92.4	Very high	27 Å²	27	19.9 Å²	19.9	18%	0.182	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	137.4	168.5	-173.4	0	0	0	0	110.2	G410 D411 I413 R671	C408-G410 PolarHBondContact O-N 2.81Å; C408-D411 PolarHBondContact N-O 3.33Å; C408-D411 PolarHBondContact O-N 3.1Å; C408-I413 HydrophobicContact CB-CD1 3.99Å; C408-R671 HydrophobicContact CB-CB 4.48Å
409	S	89.9	Confident	93.7	Very high	97 Å²	97	19 Å²	19	68%	0.678	12%	0.119	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.3	10.8	167.7	-54.8	0	0	0	0	118.1
410	G	89.1	Confident	93.3	Very high	22 Å²	22	18.5 Å²	18.5	23%	0.227	12%	0.117	C	C	.	.	T	Hydrogen-bonded Turn	trans	121.6	-9.3	-179.9	0	0	0	0	0	115.1	M1 W407 C408	M1-G410 PolarHBondContact N-O 2.81Å; W407-G410 WeakPolarHBondContact CH2-O 3.39Å; W407-G410 WeakPolarHBondContact CZ2-O 3.43Å; C408-G410 PolarHBondContact O-N 2.81Å
411	D	94.3	Very high	92.6	Very high	90 Å²	90	19 Å²	19	48%	0.481	12%	0.122	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	145.8	-179.9	-80.5	-87.4	0	0	0	112.5	W407 C408 R435	W407-D411 WeakPolarHBondContact CA-O 3.35Å; C408-D411 PolarHBondContact N-O 3.33Å; C408-D411 PolarHBondContact O-N 3.1Å; D411-R435 IonicContact OD1-CZ 3.36Å; D411-R435 IonicContact OD1-NH1 2.77Å; D411-R435 PolarHBondContact OD1-NH1 3.02Å
412	A	96.4	Very high	91.2	Very high	3 Å²	3	28 Å²	28	3%	0.025	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	148.4	161.6	0	0	0	0	0	110.8	G406 W407 R435 C437 D455	G406-A412 WeakPolarHBondContact O-CA 3.14Å; W407-A412 HydrophobicContact CE3-CB 3.85Å; W407-A412 VanDerWaalsContact CE3-N 3.33Å; W407-A412 HydrophobicContact CZ3-CB 4.04Å; A412-R435 HydrophobicContact CB-CB 3.92Å; A412-R435 WeakPolarHBondContact O-CD 3.45Å; A412-R435 WeakPolarHBondContact O-CG 3.25Å; A412-R435 PolarHBondContact O-NH1 3.01Å; A412-C437 HydrophobicContact CB-CB 4.22Å; A412-D455 WeakPolarHBondContact CB-O 3.37Å
413	I	95.6	Very high	90.1	Very high	26 Å²	26	30.3 Å²	30.3	13%	0.133	17%	0.17	C	C	.	.			trans	-106.6	138.6	-170.1	-59	170.3	0	0	0	110.2	G405 G406 C408 S415 R436 R671 R672	G405-I413 WeakPolarHBondContact CA-O 3.27Å; G406-I413 WeakPolarHBondContact O-CB 3.32Å; G406-I413 PolarHBondContact O-N 3.28Å; C408-I413 HydrophobicContact CB-CD1 3.99Å; I413-S415 VanDerWaalsContact CG2-OG 3.26Å; I413-S415 WeakPolarHBondContact CG2-OG 3.36Å; I413-R436 PolarHBondContact O-N 3.39Å; I413-R671 VanDerWaalsContact CD1-O 3.25Å; I413-R671 WeakPolarHBondContact CD1-O 3.05Å; I413-R672 HydrophobicContact CD1-CG 4.28Å
414	A	97	Very high	89	Confident	23 Å²	23	35.6 Å²	35.6	19%	0.19	19%	0.194	C	C	.	.			trans	-103.2	-20	172.6	0	0	0	0	0	113.5	P431 M432 R435	A414-P431 HydrophobicContact CB-CB 4.41Å; A414-P431 CarbonylContact O-C 3.56Å; A414-P431 WeakPolarHBondContact O-CA 3.45Å; A414-M432 PolarHBondContact O-N 3.14Å; A414-R435 HydrophobicContact CB-CB 4.48Å; A414-R435 HydrophobicContact CB-CG 3.93Å
415	S	96.1	Very high	88.1	Confident	32 Å²	32	41.6 Å²	41.6	22%	0.224	22%	0.22	C	C	.	.			trans	-65.4	150.5	-179.1	69.4	0	0	0	0	112.1	G405 I413 R672	G405-S415 PolarHBondContact N-O 3.41Å; G405-S415 VanDerWaalsContact N-O 3.12Å; I413-S415 VanDerWaalsContact CG2-OG 3.26Å; I413-S415 WeakPolarHBondContact CG2-OG 3.36Å; S415-R672 PolarHBondContact O-NH1 3.02Å; S415-R672 PolarHBondContact O-NH2 3.3Å; S415-R672 PolarHBondContact OG-NH2 3.39Å
416	A	96.7	Very high	87.8	Confident	0 Å²	0	42.5 Å²	42.5	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	154	169.2	0	0	0	0	0	109.5	A403 I404 V429 W473	A403-A416 WeakPolarHBondContact O-CA 3.28Å; I404-A416 HydrophobicContact CD1-CB 3.58Å; A416-V429 HydrophobicContact CB-CG2 3.57Å; A416-V429 PolarHBondContact O-N 2.88Å; A416-W473 HydrophobicContact CB-CZ2 4.19Å
417	E	95	Very high	87.3	Confident	0 Å²	0	44.6 Å²	44.6	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	145.7	175.6	53.2	-166.5	121.9	0	0	110.8	F402 A403 W426 H427 L428 N669 S670 R672	F402-E417 CarbonylContact C-O 3.37Å; F402-E417 WeakPolarHBondContact CA-O 3.49Å; A403-E417 HydrophobicContact CB-CG 4.29Å; A403-E417 PolarHBondContact N-O 3.26Å; A403-E417 PolarHBondContact O-N 3.08Å; A403-E417 VanDerWaalsContact O-N 3.09Å; E417-W426 HydrophobicContact CB-CE3 4.24Å; E417-W426 HydrophobicContact CG-CE3 3.77Å; E417-W426 HydrophobicContact CG-CZ3 4.21Å; E417-H427 CarbonylContact C-O 3.45Å; E417-H427 WeakPolarHBondContact CA-O 3.43Å; E417-H427 WeakPolarHBondContact CB-O 3.39Å; E417-L428 HydrophobicContact CB-CD2 4.32Å; E417-N669 VanDerWaalsContact OE2-CB 3.28Å; E417-N669 WeakPolarHBondContact OE2-CB 3.46Å; E417-N669 PolarHBondContact OE2-N 3.42Å; E417-N669 PolarHBondContact OE2-ND2 2.75Å; E417-S670 WeakPolarHBondContact OE1-CB 3.29Å; E417-S670 PolarHBondContact OE1-N 3.37Å; E417-S670 VanDerWaalsContact OE1-N 3.12Å; E417-S670 PolarHBondContact OE1-OG 3.48Å; E417-R672 IonicContact OE1-CZ 3.81Å; E417-R672 VanDerWaalsContact OE1-CZ 3.28Å; E417-R672 IonicContact OE1-NE 3.83Å; E417-R672 PolarHBondContact OE1-NE 3.19Å; E417-R672 IonicContact OE1-NH2 2.83Å; E417-R672 PolarHBondContact OE1-NH2 3.35Å
418	H	92.2	Very high	87	Confident	6 Å²	6	48.5 Å²	48.5	3%	0.028	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	149.9	175.7	76.4	-100.4	0	0	0	111.6	L401 F402 W426 H427 V429	L401-H418 CarbonylContact O-C 3.55Å; L401-H418 WeakPolarHBondContact O-CA 3.37Å; F402-H418 HydrophobicContact CD1-CB 3.75Å; F402-H418 HydrophobicContact CD2-CB 4.29Å; F402-H418 HydrophobicContact CE1-CB 3.74Å; F402-H418 HydrophobicContact CE2-CB 4.28Å; F402-H418 HydrophobicContact CG-CB 4.03Å; F402-H418 HydrophobicContact CZ-CB 4Å; H418-W426 CarbonylContact O-C 3.59Å; H418-W426 WeakPolarHBondContact O-CA 3.46Å; H418-H427 PolarHBondContact N-O 3.37Å; H418-H427 PolarHBondContact O-N 2.86Å; H418-V429 VanDerWaalsContact ND1-CG1 3.27Å; H418-V429 WeakPolarHBondContact ND1-CG1 3.47Å
419	Y	89.9	Confident	86.9	Confident	1 Å²	1	48 Å²	48	0%	0.004	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	117.2	173.7	175.4	-116.1	0	0	0	110.1	L401 S421 H424 K425 W426 I638	L401-Y419 PolarHBondContact O-N 3.37Å; Y419-S421 PolarHBondContact O-N 3.48Å; Y419-H424 HydrophobicContact CE2-CB 4.42Å; Y419-H424 PolarHBondContact OH-ND1 3.26Å; Y419-K425 WeakPolarHBondContact CA-O 3.23Å; Y419-W426 AromaticContact CD2-CD1 3.95Å; Y419-W426 HydrophobicContact CD2-CD2 4.33Å; Y419-W426 AromaticContact CD2-CE2 3.84Å; Y419-W426 HydrophobicContact CD2-CG 4.43Å; Y419-W426 HydrophobicContact CD2-CZ2 4.3Å; Y419-W426 AromaticContact CD2-NE1 3.56Å; Y419-W426 HydrophobicContact CG-CZ2 4.16Å; Y419-I638 HydrophobicContact CE1-CD1 4.09Å
420	D	72.9	Confident	86.9	Confident	15 Å²	15	44.5 Å²	44.5	8%	0.08	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	105	165.7	171.6	6.3	0	0	0	108.2	R422 T423 H424 K425	D420-R422 PolarHBondContact O-N 3.43Å; D420-R422 WeakPolarHBondContact OD1-CB 3.29Å; D420-R422 PolarHBondContact OD1-N 2.93Å; D420-R422 IonicContact OD1-NE 3.33Å; D420-R422 IonicContact OD2-CZ 2.97Å; D420-R422 IonicContact OD2-NE 3.82Å; D420-R422 IonicContact OD2-NH2 2.67Å; D420-R422 PolarHBondContact OD2-NH2 2.89Å; D420-T423 WeakPolarHBondContact CB-OG1 3.49Å; D420-T423 PolarHBondContact O-N 3.22Å; D420-T423 PolarHBondContact OD1-N 2.99Å; D420-T423 WeakPolarHBondContact OD2-CB 3.46Å; D420-T423 VanDerWaalsContact OD2-CG2 3.23Å; D420-T423 WeakPolarHBondContact OD2-CG2 3.22Å; D420-T423 PolarHBondContact OD2-OG1 3.21Å; D420-H424 WeakPolarHBondContact O-CA 3.45Å; D420-H424 PolarHBondContact O-N 3.42Å; D420-K425 PolarHBondContact N-O 2.88Å; D420-K425 PolarHBondContact O-N 2.73Å
421	S	71.3	Confident	87.2	Confident	26 Å²	26	47.2 Å²	47.2	18%	0.182	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-19.3	-177.9	61.3	0	0	0	0	114.1	Y419 H424 N634	Y419-S421 PolarHBondContact O-N 3.48Å; S421-H424 PolarHBondContact O-CE1 3.07Å; S421-H424 PolarHBondContact O-ND1 2.86Å; S421-N634 PolarHBondContact OG-ND2 2.91Å
422	R	65.1	Low	87.3	Confident	189 Å²	189	43.3 Å²	43.3	71%	0.713	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83	-27.9	178.5	165.5	-154.3	64.5	112.5	6.4	111.7	D420	D420-R422 PolarHBondContact O-N 3.43Å; D420-R422 WeakPolarHBondContact OD1-CB 3.29Å; D420-R422 PolarHBondContact OD1-N 2.93Å; D420-R422 IonicContact OD1-NE 3.33Å; D420-R422 IonicContact OD2-CZ 2.97Å; D420-R422 IonicContact OD2-NE 3.82Å; D420-R422 IonicContact OD2-NH2 2.67Å; D420-R422 PolarHBondContact OD2-NH2 2.89Å
423	T	70.6	Confident	87.3	Confident	48 Å²	48	49.2 Å²	49.2	29%	0.294	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105.1	-5	174	61	0	0	0	0	114.2	D420 K425	D420-T423 WeakPolarHBondContact CB-OG1 3.49Å; D420-T423 PolarHBondContact O-N 3.22Å; D420-T423 PolarHBondContact OD1-N 2.99Å; D420-T423 WeakPolarHBondContact OD2-CB 3.46Å; D420-T423 VanDerWaalsContact OD2-CG2 3.23Å; D420-T423 WeakPolarHBondContact OD2-CG2 3.22Å; D420-T423 PolarHBondContact OD2-OG1 3.21Å; T423-K425 PolarHBondContact O-N 2.84Å
424	H	74.3	Confident	87.3	Confident	114 Å²	114	51.8 Å²	51.8	53%	0.528	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	55	29	-173.7	-57.7	-56.1	0	0	0	114.2	Y419 D420 S421	Y419-H424 HydrophobicContact CE2-CB 4.42Å; Y419-H424 PolarHBondContact OH-ND1 3.26Å; D420-H424 WeakPolarHBondContact O-CA 3.45Å; D420-H424 PolarHBondContact O-N 3.42Å; S421-H424 PolarHBondContact O-CE1 3.07Å; S421-H424 PolarHBondContact O-ND1 2.86Å
425	K	80.4	Confident	87.3	Confident	127 Å²	127	56.4 Å²	56.4	55%	0.552	27%	0.271	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-112.5	151.1	-175.4	-74.8	171	-173.7	176.2	0	112.1	Y419 D420 T423 H427	Y419-K425 WeakPolarHBondContact CA-O 3.23Å; D420-K425 PolarHBondContact N-O 2.88Å; D420-K425 PolarHBondContact O-N 2.73Å; T423-K425 PolarHBondContact O-N 2.84Å; K425-H427 VanDerWaalsContact CB-NE2 3.35Å; K425-H427 WeakPolarHBondContact CB-NE2 3.46Å
426	W	90.1	Very high	87.4	Confident	18 Å²	18	55 Å²	55	7%	0.068	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	124.4	173.8	-74.9	87.8	0	0	0	109.9	A403 E417 H418 Y419 I640 V652 S667 M668 N669	A403-W426 HydrophobicContact CB-CH2 4.07Å; A403-W426 HydrophobicContact CB-CZ3 3.71Å; E417-W426 HydrophobicContact CB-CE3 4.24Å; E417-W426 HydrophobicContact CG-CE3 3.77Å; E417-W426 HydrophobicContact CG-CZ3 4.21Å; H418-W426 CarbonylContact O-C 3.59Å; H418-W426 WeakPolarHBondContact O-CA 3.46Å; Y419-W426 AromaticContact CD2-CD1 3.95Å; Y419-W426 HydrophobicContact CD2-CD2 4.33Å; Y419-W426 AromaticContact CD2-CE2 3.84Å; Y419-W426 HydrophobicContact CD2-CG 4.43Å; Y419-W426 HydrophobicContact CD2-CZ2 4.3Å; Y419-W426 AromaticContact CD2-NE1 3.56Å; Y419-W426 HydrophobicContact CG-CZ2 4.16Å; W426-I640 HydrophobicContact CH2-CD1 3.8Å; W426-I640 HydrophobicContact CH2-CG1 4.42Å; W426-I640 HydrophobicContact CH2-CG2 4.46Å; W426-I640 HydrophobicContact CZ2-CD1 4.2Å; W426-I640 HydrophobicContact CZ2-CG1 4.42Å; W426-V652 HydrophobicContact CZ2-CG2 3.8Å; W426-S667 VanDerWaalsContact CD1-C 3.43Å; W426-M668 HydrophobicContact CD2-CB 4.47Å; W426-M668 HydrophobicContact CD2-CG 3.77Å; W426-M668 HydrophobicContact CE3-CG 3.98Å; W426-M668 HydrophobicContact CG-CG 4.34Å; W426-M668 HydrophobicContact CH2-CG 4.1Å; W426-M668 HydrophobicContact CH2-SD 4.49Å; W426-M668 HydrophobicContact CZ2-CG 3.91Å; W426-M668 HydrophobicContact CZ3-CG 4.14Å; W426-N669 WeakPolarHBondContact CB-ND2 3.03Å; W426-N669 PolarHBondContact O-ND2 3.49Å
427	H	86.3	Confident	87.5	Confident	44 Å²	44	55.7 Å²	55.7	20%	0.204	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	125.9	-173.9	-68.2	-98.6	0	0	0	109.8	E417 H418 K425 N690	E417-H427 CarbonylContact C-O 3.45Å; E417-H427 WeakPolarHBondContact CA-O 3.43Å; E417-H427 WeakPolarHBondContact CB-O 3.39Å; H418-H427 PolarHBondContact N-O 3.37Å; H418-H427 PolarHBondContact O-N 2.86Å; K425-H427 VanDerWaalsContact CB-NE2 3.35Å; K425-H427 WeakPolarHBondContact CB-NE2 3.46Å; H427-N690 PolarHBondContact CE1-OD1 2.96Å; H427-N690 VanDerWaalsContact CE1-OD1 3.28Å; H427-N690 PolarHBondContact ND1-OD1 2.86Å
428	L	90	Very high	87.6	Confident	111 Å²	111	56.3 Å²	56.3	58%	0.581	27%	0.272	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-65.2	138.2	175.3	-69.8	167.6	0	0	0	110.1	E417 N669	E417-L428 HydrophobicContact CB-CD2 4.32Å; L428-N669 HydrophobicContact CD2-CB 4.48Å
429	V	90.6	Very high	87.8	Confident	15 Å²	15	56.5 Å²	56.5	9%	0.091	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	-180	170.8	-60.2	0	0	0	0	109.7	F402 A416 H418 Y466	F402-V429 HydrophobicContact CD1-CG2 4.35Å; F402-V429 HydrophobicContact CE1-CG1 4.28Å; F402-V429 HydrophobicContact CE1-CG2 4.35Å; A416-V429 HydrophobicContact CB-CG2 3.57Å; A416-V429 PolarHBondContact O-N 2.88Å; H418-V429 VanDerWaalsContact ND1-CG1 3.27Å; H418-V429 WeakPolarHBondContact ND1-CG1 3.47Å; V429-Y466 HydrophobicContact CB-CE2 4.37Å; V429-Y466 WeakPolarHBondContact CB-OH 3.35Å; V429-Y466 HydrophobicContact CG2-CE2 4.31Å
430	A	90.4	Very high	88.2	Confident	25 Å²	25	56.6 Å²	56.6	21%	0.207	28%	0.275	C	S	.	.	P	Polyproline II helix	trans	-53.7	138.6	178.4	0	0	0	0	0	111.9	Y466 N471 W473	A430-Y466 HydrophobicContact CB-CE2 4.32Å; A430-N471 WeakPolarHBondContact CB-O 3.28Å; A430-N471 PolarHBondContact N-OD1 3.33Å; A430-W473 PolarHBondContact O-NE1 3.19Å
431	P	95.3	Very high	89.4	Confident	79 Å²	79	56.6 Å²	56.6	51%	0.513	28%	0.275	S	S	.	.	P	Polyproline II helix	trans	-75.2	152.2	174.1	32.5	-35	0	0	0	111.2	A414	A414-P431 HydrophobicContact CB-CB 4.41Å; A414-P431 CarbonylContact O-C 3.56Å; A414-P431 WeakPolarHBondContact O-CA 3.45Å
432	M	97.7	Very high	90.6	Very high	7 Å²	7	55.7 Å²	55.7	3%	0.034	27%	0.27	C	S	.	.	P	Polyproline II helix	trans	-61.6	155.5	166.5	-64.5	175	-64.2	0	0	110.5	I404 A414 K434 R436 A450 W473	I404-M432 HydrophobicContact CG2-CE 3.77Å; I404-M432 HydrophobicContact CG2-CG 4.49Å; I404-M432 HydrophobicContact CG2-SD 3.48Å; I404-M432 WeakPolarHBondContact CG2-SD 3.4Å; A414-M432 PolarHBondContact O-N 3.14Å; M432-K434 VanDerWaalsContact C-N 3.3Å; M432-K434 VanDerWaalsContact CB-O 3.28Å; M432-K434 WeakPolarHBondContact CB-O 3.24Å; M432-K434 PolarHBondContact O-N 3.3Å; M432-R436 HydrophobicContact CE-CB 4.09Å; M432-R436 HydrophobicContact CE-CG 4.19Å; M432-R436 HydrophobicContact SD-CG 4.32Å; M432-A450 HydrophobicContact SD-CB 3.64Å; M432-W473 HydrophobicContact CB-CD2 4.37Å; M432-W473 HydrophobicContact CG-CD2 3.67Å; M432-W473 VanDerWaalsContact CG-CE2 3.44Å; M432-W473 HydrophobicContact CG-CE3 3.84Å; M432-W473 HydrophobicContact CG-CG 4.44Å; M432-W473 HydrophobicContact CG-CH2 3.65Å; M432-W473 HydrophobicContact CG-CZ2 3.44Å; M432-W473 VanDerWaalsContact CG-CZ2 3.44Å; M432-W473 HydrophobicContact CG-CZ3 3.84Å; M432-W473 HydrophobicContact SD-CH2 4.01Å; M432-W473 HydrophobicContact SD-CZ2 4.26Å; M432-W473 HydrophobicContact SD-CZ3 4.29Å
433	H	96.2	Very high	92.1	Very high	128 Å²	128	48.2 Å²	48.2	59%	0.593	25%	0.246	S	C	*	.	S	Bend	trans	-67.2	-35.1	173.7	-53.3	87.1	0	0	0	111.2	E464 W473 S475	H433-E464 WeakPolarHBondContact CB-OE2 3.43Å; H433-E464 IonicContact CE1-OE2 2.75Å; H433-E464 IonicContact CG-OE2 3.67Å; H433-E464 PolarHBondContact N-OE2 3.48Å; H433-E464 IonicContact ND1-OE2 3.6Å; H433-E464 PolarHBondContact ND1-OE2 2.96Å; H433-W473 PolarHBondContact CE1-O 3.15Å; H433-W473 VanDerWaalsContact CE1-O 3.31Å; H433-S475 PolarHBondContact ND1-OG 3.35Å
434	K	95.5	Very high	93.1	Very high	80 Å²	80	46.1 Å²	46.1	35%	0.348	23%	0.233	S	C	.	.	S	Bend	trans	-101.5	143.7	173.2	-68.2	-168.4	177.9	-177.3	0	112.2	M432 R436 L460 S462 E464	M432-K434 VanDerWaalsContact C-N 3.3Å; M432-K434 VanDerWaalsContact CB-O 3.28Å; M432-K434 WeakPolarHBondContact CB-O 3.24Å; M432-K434 PolarHBondContact O-N 3.3Å; K434-R436 HydrophobicContact CB-CG 4.17Å; K434-L460 HydrophobicContact CB-CD1 4.46Å; K434-L460 HydrophobicContact CD-CD1 3.96Å; K434-L460 HydrophobicContact CD-CD2 3.98Å; K434-S462 PolarHBondContact NZ-OG 3.36Å; K434-E464 PolarHBondContact N-OE1 3.36Å
435	R	97.6	Very high	93.6	Very high	120 Å²	120	47.7 Å²	47.7	45%	0.453	24%	0.235	S	C	.	.			trans	-67.1	137.9	159.5	-64.5	168.3	174.8	-138	12.9	108.5	D411 A412 A414 D455	D411-R435 IonicContact OD1-CZ 3.36Å; D411-R435 IonicContact OD1-NH1 2.77Å; D411-R435 PolarHBondContact OD1-NH1 3.02Å; A412-R435 HydrophobicContact CB-CB 3.92Å; A412-R435 WeakPolarHBondContact O-CD 3.45Å; A412-R435 WeakPolarHBondContact O-CG 3.25Å; A412-R435 PolarHBondContact O-NH1 3.01Å; A414-R435 HydrophobicContact CB-CB 4.48Å; A414-R435 HydrophobicContact CB-CG 3.93Å; R435-D455 HydrophobicContact CB-CB 4.46Å; R435-D455 VanDerWaalsContact O-CA 3.26Å; R435-D455 WeakPolarHBondContact O-CA 3.41Å; R435-D455 VanDerWaalsContact O-CB 3.26Å; R435-D455 WeakPolarHBondContact O-CB 3.26Å
436	R	98.2	Very high	93.8	Very high	1 Å²	1	44.4 Å²	44.4	0%	0.004	22%	0.223	C	C	.	.			trans	-147.5	113.9	-177.5	-54.7	-179.8	175.9	-116.8	11.1	112	G406 I413 M432 K434 V439 A450 G452 H454 L460 S462 E464	G406-R436 PolarHBondContact N-O 3.36Å; I413-R436 PolarHBondContact O-N 3.39Å; M432-R436 HydrophobicContact CE-CB 4.09Å; M432-R436 HydrophobicContact CE-CG 4.19Å; M432-R436 HydrophobicContact SD-CG 4.32Å; K434-R436 HydrophobicContact CB-CG 4.17Å; R436-V439 HydrophobicContact CB-CB 3.88Å; R436-V439 HydrophobicContact CB-CG1 4.43Å; R436-V439 HydrophobicContact CB-CG2 4.01Å; R436-A450 PolarHBondContact NH1-O 3.22Å; R436-G452 PolarHBondContact NH1-O 3.09Å; R436-H454 WeakPolarHBondContact CA-O 3.47Å; R436-L460 HydrophobicContact CG-CD1 3.9Å; R436-S462 PolarHBondContact NH1-O 2.72Å; R436-S462 PolarHBondContact NH2-O 2.84Å; R436-E464 IonicContact CZ-OE1 3.34Å; R436-E464 VanDerWaalsContact CZ-OE1 3.26Å; R436-E464 IonicContact NE-OE1 3.83Å; R436-E464 PolarHBondContact NE-OE1 3.44Å; R436-E464 IonicContact NH2-OE1 2.7Å; R436-E464 PolarHBondContact NH2-OE1 3.32Å
437	C	97	Very high	93.8	Very high	16 Å²	16	44.9 Å²	44.9	11%	0.108	23%	0.227	C	C	.	.	B	Isolated β-bridge	trans	-106.9	155	163.6	71.6	0	0	0	0	111.2	G406 W407 A412 V439 G453 H454	G406-C437 WeakPolarHBondContact O-CB 3.46Å; W407-C437 HydrophobicContact CB-CB 3.81Å; W407-C437 HydrophobicContact CE3-CB 4.01Å; W407-C437 VanDerWaalsContact CE3-SG 3.53Å; A412-C437 HydrophobicContact CB-CB 4.22Å; C437-V439 PolarHBondContact O-N 2.9Å; C437-G453 CarbonylContact O-C 3.55Å; C437-G453 WeakPolarHBondContact O-CA 3.47Å; C437-H454 PolarHBondContact N-O 3.09Å; C437-H454 PolarHBondContact O-N 3.28Å; C437-H454 PolarHBondContact SG-O 3.16Å; C437-H454 VanDerWaalsContact SG-O 3.42Å
438	G	97.1	Very high	94.3	Very high	13 Å²	13	42.8 Å²	42.8	13%	0.134	22%	0.218	C	C	.	.	S	Bend	trans	59.8	32.7	-171	0	0	0	0	0	112.3	G453 S486 G674	G438-G453 WeakPolarHBondContact O-CA 3.48Å; G438-S486 WeakPolarHBondContact O-CA 3.44Å; G438-S486 PolarHBondContact O-N 3.5Å; G438-G674 WeakPolarHBondContact CA-O 3.14Å; G438-G674 PolarHBondContact N-O 2.76Å
439	V	98.3	Very high	94.6	Very high	9 Å²	9	37.9 Å²	37.9	6%	0.055	19%	0.191	C	C	.	.			trans	-82.8	133.5	-175.8	63.7	0	0	0	0	110.4	R436 C437 V441 A450	R436-V439 HydrophobicContact CB-CB 3.88Å; R436-V439 HydrophobicContact CB-CG1 4.43Å; R436-V439 HydrophobicContact CB-CG2 4.01Å; C437-V439 PolarHBondContact O-N 2.9Å; V439-V441 HydrophobicContact CG1-CG2 4.48Å; V439-A450 HydrophobicContact CG2-CB 4.06Å
440	G	98.1	Very high	95	Very high	3 Å²	3	37.1 Å²	37.1	3%	0.031	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	135.7	169.6	0	0	0	0	0	109.9	V451	G440-V451 PolarHBondContact N-O 2.91Å; G440-V451 PolarHBondContact O-N 3Å
441	V	98.2	Very high	95.4	Very high	15 Å²	15	36 Å²	36	9%	0.091	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	137.9	176.4	171	0	0	0	0	110.6	I404 V439 L448 Y449 V677	I404-V441 HydrophobicContact CB-CG2 3.94Å; I404-V441 HydrophobicContact CG1-CG1 4.42Å; I404-V441 HydrophobicContact CG1-CG2 4.04Å; I404-V441 HydrophobicContact CG2-CG2 4.24Å; V439-V441 HydrophobicContact CG1-CG2 4.48Å; V441-L448 HydrophobicContact CG1-CD2 4.31Å; V441-Y449 VanDerWaalsContact CA-O 3.28Å; V441-Y449 WeakPolarHBondContact CA-O 3.12Å; V441-V677 WeakPolarHBondContact CG1-O 3.39Å
442	G	96.7	Very high	95.5	Very high	7 Å²	7	32.2 Å²	32.2	7%	0.072	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	165.9	172.3	0	0	0	0	0	110.7	L448 Y449	G442-L448 WeakPolarHBondContact O-CA 3.38Å; G442-Y449 PolarHBondContact N-O 3.11Å; G442-Y449 PolarHBondContact O-N 3.45Å
443	V	95.6	Very high	95.5	Very high	33 Å²	33	31.9 Å²	31.9	20%	0.2	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	121.5	177.6	-177.9	0	0	0	0	109.3	L447 L448 V491 V680	V443-L447 WeakPolarHBondContact CA-O 3.23Å; V443-L448 HydrophobicContact CG2-CD2 3.94Å; V443-L448 HydrophobicContact CG2-CG 3.97Å; V443-V491 WeakPolarHBondContact O-CG2 3.46Å; V443-V680 HydrophobicContact CG1-CG2 3.83Å; V443-V680 HydrophobicContact CG2-CG2 4.33Å
444	V	90.9	Very high	95.6	Very high	3 Å²	3	27.4 Å²	27.4	2%	0.018	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	121.2	-177.1	-174.1	0	0	0	0	108.5	D446 L447 Y449 V491 G494 M496 P516	V444-D446 VanDerWaalsContact C-N 3.3Å; V444-D446 PolarHBondContact O-N 3.27Å; V444-L447 PolarHBondContact N-O 3.2Å; V444-L447 PolarHBondContact O-N 2.98Å; V444-Y449 HydrophobicContact CB-CD2 4.27Å; V444-Y449 HydrophobicContact CB-CE2 3.8Å; V444-Y449 HydrophobicContact CG2-CD2 4.3Å; V444-Y449 HydrophobicContact CG2-CE2 4.26Å; V444-V491 HydrophobicContact CG2-CG1 4.05Å; V444-V491 HydrophobicContact CG2-CG2 3.63Å; V444-G494 WeakPolarHBondContact CG1-O 3.4Å; V444-M496 HydrophobicContact CG2-CB 3.95Å; V444-P516 HydrophobicContact CG1-CB 4.28Å; V444-P516 HydrophobicContact CG1-CG 3.96Å
445	Y	85.4	Confident	95.6	Very high	147 Å²	147	25.2 Å²	25.2	58%	0.576	12%	0.122	S	C	*	.	T	Hydrogen-bonded Turn	trans	49.5	50.7	-174.6	-50	-49.3	0	0	0	112.2	L447 P516	Y445-L447 PolarHBondContact O-N 3.39Å; Y445-P516 HydrophobicContact CD2-CG 4.31Å; Y445-P516 HydrophobicContact CE2-CB 4.2Å; Y445-P516 HydrophobicContact CE2-CG 3.59Å
446	D	85	Confident	95.5	Very high	58 Å²	58	20.8 Å²	20.8	31%	0.31	11%	0.114	S	C	.	.	T	Hydrogen-bonded Turn	trans	60	4.1	-180	-61.8	-59.1	0	0	0	116.7	V444 V680 R681	V444-D446 VanDerWaalsContact C-N 3.3Å; V444-D446 PolarHBondContact O-N 3.27Å; D446-V680 HydrophobicContact CB-CG1 3.78Å; D446-V680 VanDerWaalsContact O-CG1 3.31Å; D446-V680 WeakPolarHBondContact O-CG1 3.14Å; D446-V680 WeakPolarHBondContact O-CG2 3.37Å; D446-R681 PolarHBondContact OD1-N 2.84Å
447	L	90.2	Very high	95.3	Very high	29 Å²	29	28.8 Å²	28.8	15%	0.152	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	134.1	169.4	-56.3	177.9	0	0	0	110.6	V443 V444 Y445 Y449 R465 D467	V443-L447 WeakPolarHBondContact CA-O 3.23Å; V444-L447 PolarHBondContact N-O 3.2Å; V444-L447 PolarHBondContact O-N 2.98Å; Y445-L447 PolarHBondContact O-N 3.39Å; L447-Y449 HydrophobicContact CB-CE2 3.9Å; L447-Y449 WeakPolarHBondContact O-CD2 3.45Å; L447-R465 VanDerWaalsContact CD1-NH1 3.25Å; L447-D467 HydrophobicContact CD2-CB 3.68Å
448	L	95.9	Very high	95.2	Very high	0 Å²	0	31 Å²	31	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83	143.9	172.1	-65	113	0	0	0	110.4	F402 V441 G442 V443 R465 Y466 P468 V680	F402-L448 HydrophobicContact CB-CD2 3.74Å; F402-L448 HydrophobicContact CD1-CD1 4.03Å; F402-L448 HydrophobicContact CD2-CD1 3.75Å; F402-L448 HydrophobicContact CD2-CD2 4.02Å; F402-L448 HydrophobicContact CE1-CD1 4.1Å; F402-L448 HydrophobicContact CE2-CD1 3.84Å; F402-L448 HydrophobicContact CG-CD1 3.87Å; F402-L448 HydrophobicContact CG-CD2 3.92Å; F402-L448 HydrophobicContact CZ-CD1 4.02Å; V441-L448 HydrophobicContact CG1-CD2 4.31Å; G442-L448 WeakPolarHBondContact O-CA 3.38Å; V443-L448 HydrophobicContact CG2-CD2 3.94Å; V443-L448 HydrophobicContact CG2-CG 3.97Å; L448-R465 CarbonylContact O-C 3.56Å; L448-R465 WeakPolarHBondContact O-CA 3.46Å; L448-Y466 HydrophobicContact CD1-CD1 3.63Å; L448-Y466 HydrophobicContact CD1-CE1 4.27Å; L448-Y466 PolarHBondContact N-O 3.47Å; L448-Y466 VanDerWaalsContact N-O 3.1Å; L448-Y466 PolarHBondContact O-N 2.95Å; L448-P468 HydrophobicContact CD1-CG 4.25Å; L448-V680 HydrophobicContact CD1-CG2 3.49Å; L448-V680 VanDerWaalsContact CD1-CG2 3.49Å; L448-V680 HydrophobicContact CD2-CG2 4.37Å; L448-V680 HydrophobicContact CG-CG2 3.72Å
449	Y	97.9	Very high	95.2	Very high	7 Å²	7	34.6 Å²	34.6	3%	0.027	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	130.4	176.5	-71.3	-104.3	0	0	0	110.3	V441 G442 V444 L447 V463 E464 R465 I477 M496 Y514	V441-Y449 VanDerWaalsContact CA-O 3.28Å; V441-Y449 WeakPolarHBondContact CA-O 3.12Å; G442-Y449 PolarHBondContact N-O 3.11Å; G442-Y449 PolarHBondContact O-N 3.45Å; V444-Y449 HydrophobicContact CB-CD2 4.27Å; V444-Y449 HydrophobicContact CB-CE2 3.8Å; V444-Y449 HydrophobicContact CG2-CD2 4.3Å; V444-Y449 HydrophobicContact CG2-CE2 4.26Å; L447-Y449 HydrophobicContact CB-CE2 3.9Å; L447-Y449 WeakPolarHBondContact O-CD2 3.45Å; Y449-V463 HydrophobicContact CD1-CG1 4.28Å; Y449-E464 CarbonylContact C-O 3.5Å; Y449-E464 WeakPolarHBondContact CA-O 3.22Å; Y449-R465 HydrophobicContact CD1-CB 3.94Å; Y449-R465 HydrophobicContact CE1-CB 3.87Å; Y449-R465 HydrophobicContact CG-CB 4.32Å; Y449-I477 HydrophobicContact CD1-CG1 4.24Å; Y449-I477 HydrophobicContact CD1-CG2 4.37Å; Y449-I477 HydrophobicContact CE1-CD1 3.8Å; Y449-I477 HydrophobicContact CE1-CG1 3.87Å; Y449-I477 HydrophobicContact CE1-CG2 4.26Å; Y449-M496 HydrophobicContact CD1-CE 3.71Å; Y449-M496 HydrophobicContact CD2-CE 4.5Å; Y449-M496 HydrophobicContact CE1-CE 4.47Å; Y449-M496 HydrophobicContact CG-CE 3.72Å; Y449-M496 HydrophobicContact CG-SD 4.13Å; Y449-Y514 AromaticContact CE1-CE1 3.92Å; Y449-Y514 HydrophobicContact CE1-CE1 3.92Å
450	A	98.4	Very high	95.2	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	104.2	174.9	0	0	0	0	0	110	I404 M432 R436 V439 V463 E464 W473	I404-A450 HydrophobicContact CG2-CB 4.42Å; M432-A450 HydrophobicContact SD-CB 3.64Å; R436-A450 PolarHBondContact NH1-O 3.22Å; V439-A450 HydrophobicContact CG2-CB 4.06Å; A450-V463 WeakPolarHBondContact O-CA 3.48Å; A450-E464 PolarHBondContact N-O 3.25Å; A450-E464 PolarHBondContact O-N 3.38Å; A450-E464 VanDerWaalsContact O-N 3.12Å; A450-W473 HydrophobicContact CB-CH2 4.04Å; A450-W473 HydrophobicContact CB-CZ3 3.7Å
451	V	98.5	Very high	95.2	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	122.9	-172.1	-176	0	0	0	0	110.3	G440 G453 V463 T480 V489 M496 A498 W521	G440-V451 PolarHBondContact N-O 2.91Å; G440-V451 PolarHBondContact O-N 3Å; V451-G453 PolarHBondContact O-N 3.4Å; V451-V463 HydrophobicContact CG1-CG2 4.21Å; V451-V463 HydrophobicContact CG2-CG1 4.1Å; V451-T480 HydrophobicContact CG1-CG2 4.15Å; V451-V489 HydrophobicContact CB-CG2 3.97Å; V451-V489 HydrophobicContact CG1-CG2 4.33Å; V451-V489 HydrophobicContact CG2-CG1 4.48Å; V451-V489 HydrophobicContact CG2-CG2 4.11Å; V451-M496 HydrophobicContact CG2-CE 3.95Å; V451-M496 HydrophobicContact CG2-SD 3.91Å; V451-A498 HydrophobicContact CG1-CB 4.33Å; V451-W521 HydrophobicContact CG1-CH2 4.13Å; V451-W521 HydrophobicContact CG1-CZ2 4.2Å; V451-W521 HydrophobicContact CG2-CH2 4.24Å; V451-W521 HydrophobicContact CG2-CZ2 4.3Å
452	G	98	Very high	95.2	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	19%	0.191	C	C	.	.			trans	59.3	-132.5	173	0	0	0	0	0	114.1	R436 L460 S462 R484	R436-G452 PolarHBondContact NH1-O 3.09Å; G452-L460 WeakPolarHBondContact CA-O 3.39Å; G452-S462 PolarHBondContact N-O 2.89Å; G452-R484 WeakPolarHBondContact CA-O 3.29Å
453	G	97.8	Very high	95.3	Very high	0 Å²	0	37 Å²	37	0%	0	19%	0.188	C	C	.	.			trans	84.4	-165.7	-168.9	0	0	0	0	0	113.3	C437 G438 V451 L460 R484 T485	C437-G453 CarbonylContact O-C 3.55Å; C437-G453 WeakPolarHBondContact O-CA 3.47Å; G438-G453 WeakPolarHBondContact O-CA 3.48Å; V451-G453 PolarHBondContact O-N 3.4Å; G453-L460 VanDerWaalsContact O-CB 3.25Å; G453-L460 WeakPolarHBondContact O-CB 3.4Å; G453-L460 WeakPolarHBondContact O-CG 3.31Å; G453-L460 PolarHBondContact O-N 3.01Å; G453-R484 PolarHBondContact N-O 3.49Å; G453-T485 PolarHBondContact O-OG1 3.09Å
454	H	97.5	Very high	95.4	Very high	34 Å²	34	35.6 Å²	35.6	16%	0.157	18%	0.179	C	C	.	.	B	Isolated β-bridge	trans	-134.7	136.6	-178.8	-177.9	-93.9	0	0	0	109.8	R436 C437 G456 S458 Y459 T485	R436-H454 WeakPolarHBondContact CA-O 3.47Å; C437-H454 PolarHBondContact N-O 3.09Å; C437-H454 PolarHBondContact O-N 3.28Å; C437-H454 PolarHBondContact SG-O 3.16Å; C437-H454 VanDerWaalsContact SG-O 3.42Å; H454-G456 PolarHBondContact ND1-N 3.37Å; H454-G456 VanDerWaalsContact ND1-N 3.19Å; H454-S458 WeakPolarHBondContact CA-O 3.22Å; H454-S458 PolarHBondContact CD2-O 3.47Å; H454-Y459 AromaticContact CD2-CD2 3.79Å; H454-Y459 AromaticContact CD2-CE2 3.93Å; H454-Y459 AromaticContact CD2-CG 3.9Å; H454-Y459 PolarHBondContact CD2-N 2.97Å; H454-T485 HydrophobicContact CB-CG2 3.84Å
455	D	96.6	Very high	95.7	Very high	34 Å²	34	39 Å²	39	18%	0.182	19%	0.192	C	C	.	.			trans	-92.1	-2.9	-173.4	63	25.4	0	0	0	115.1	A412 R435 H457 S458 L460	A412-D455 WeakPolarHBondContact CB-O 3.37Å; R435-D455 HydrophobicContact CB-CB 4.46Å; R435-D455 VanDerWaalsContact O-CA 3.26Å; R435-D455 WeakPolarHBondContact O-CA 3.41Å; R435-D455 VanDerWaalsContact O-CB 3.26Å; R435-D455 WeakPolarHBondContact O-CB 3.26Å; D455-H457 WeakPolarHBondContact OD1-CA 3.21Å; D455-H457 PolarHBondContact OD1-N 3.1Å; D455-H457 IonicContact OD1-ND1 3.99Å; D455-S458 PolarHBondContact N-O 3.32Å; D455-S458 VanDerWaalsContact N-O 3.13Å; D455-S458 PolarHBondContact OD1-N 2.87Å; D455-L460 HydrophobicContact CB-CD1 4.33Å
456	G	93.6	Very high	96.2	Very high	27 Å²	27	32 Å²	32	28%	0.278	16%	0.164	S	C	.	.	S	Bend	trans	110.6	-20.1	-172.9	0	0	0	0	0	113.4	H454	H454-G456 PolarHBondContact ND1-N 3.37Å; H454-G456 VanDerWaalsContact ND1-N 3.19Å
457	H	94.1	Very high	96.2	Very high	170 Å²	170	31 Å²	31	79%	0.787	16%	0.159	S	C	*	.	S	Bend	trans	-129.7	-29.1	-178.7	-48.6	86.6	0	0	0	112.8	D455	D455-H457 WeakPolarHBondContact OD1-CA 3.21Å; D455-H457 PolarHBondContact OD1-N 3.1Å; D455-H457 IonicContact OD1-ND1 3.99Å
458	S	96.3	Very high	95.9	Very high	62 Å²	62	29.7 Å²	29.7	43%	0.434	15%	0.152	S	C	.	.			trans	-138.4	143.1	-174.4	-72.2	0	0	0	0	113.2	H454 D455	H454-S458 WeakPolarHBondContact CA-O 3.22Å; H454-S458 PolarHBondContact CD2-O 3.47Å; D455-S458 PolarHBondContact N-O 3.32Å; D455-S458 VanDerWaalsContact N-O 3.13Å; D455-S458 PolarHBondContact OD1-N 2.87Å
459	Y	97.4	Very high	94.8	Very high	89 Å²	89	34.1 Å²	34.1	35%	0.349	17%	0.173	S	C	.	.	B	Isolated β-bridge	trans	-73.8	133	167.2	-66.4	-100.7	0	0	0	109.2	H454 C483 T485 Q502	H454-Y459 AromaticContact CD2-CD2 3.79Å; H454-Y459 AromaticContact CD2-CE2 3.93Å; H454-Y459 AromaticContact CD2-CG 3.9Å; H454-Y459 PolarHBondContact CD2-N 2.97Å; Y459-C483 PolarHBondContact O-SG 3.21Å; Y459-T485 VanDerWaalsContact CD1-OG1 3.26Å; Y459-T485 WeakPolarHBondContact CD1-OG1 3.44Å; Y459-Q502 HydrophobicContact CD1-CG 4.5Å; Y459-Q502 HydrophobicContact CE1-CG 4.01Å
460	L	98	Very high	93.9	Very high	6 Å²	6	37.4 Å²	37.4	3%	0.031	19%	0.194	C	C	.	.			trans	-106.3	139.8	-172.1	-55.2	177.8	0	0	0	112.6	K434 R436 G452 G453 D455 C483 R484	K434-L460 HydrophobicContact CB-CD1 4.46Å; K434-L460 HydrophobicContact CD-CD1 3.96Å; K434-L460 HydrophobicContact CD-CD2 3.98Å; R436-L460 HydrophobicContact CG-CD1 3.9Å; G452-L460 WeakPolarHBondContact CA-O 3.39Å; G453-L460 VanDerWaalsContact O-CB 3.25Å; G453-L460 WeakPolarHBondContact O-CB 3.4Å; G453-L460 WeakPolarHBondContact O-CG 3.31Å; G453-L460 PolarHBondContact O-N 3.01Å; D455-L460 HydrophobicContact CB-CD1 4.33Å; L460-C483 WeakPolarHBondContact O-CA 3.49Å; L460-R484 PolarHBondContact O-N 3.38Å
461	N	97.8	Very high	93.1	Very high	59 Å²	59	38.8 Å²	38.8	32%	0.316	20%	0.201	S	C	.	.			trans	-106.7	-12.7	162.1	74.2	-36.4	0	0	0	113	S479 T480 T482	N461-S479 WeakPolarHBondContact ND2-CB 3.48Å; N461-S479 WeakPolarHBondContact O-CA 3.37Å; N461-S479 WeakPolarHBondContact O-CB 3.47Å; N461-T480 WeakPolarHBondContact CA-OG1 3.47Å; N461-T480 WeakPolarHBondContact CB-O 3.41Å; N461-T480 PolarHBondContact ND2-O 3.02Å; N461-T480 PolarHBondContact O-N 2.85Å; N461-T480 PolarHBondContact O-OG1 3.35Å; N461-T480 VanDerWaalsContact O-OG1 3.1Å; N461-T482 WeakPolarHBondContact CB-O 3.08Å
462	S	98.2	Very high	92.5	Very high	17 Å²	17	44.5 Å²	44.5	12%	0.119	23%	0.228	C	C	.	.			trans	-64.2	147.9	-178.4	49	0	0	0	0	111.9	K434 R436 G452	K434-S462 PolarHBondContact NZ-OG 3.36Å; R436-S462 PolarHBondContact NH1-O 2.72Å; R436-S462 PolarHBondContact NH2-O 2.84Å; G452-S462 PolarHBondContact N-O 2.89Å
463	V	98.4	Very high	92.4	Very high	3 Å²	3	45.3 Å²	45.3	2%	0.018	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	140.8	177.7	-174.7	0	0	0	0	108.7	Y449 A450 V451 I477 W521	Y449-V463 HydrophobicContact CD1-CG1 4.28Å; A450-V463 WeakPolarHBondContact O-CA 3.48Å; V451-V463 HydrophobicContact CG1-CG2 4.21Å; V451-V463 HydrophobicContact CG2-CG1 4.1Å; V463-I477 HydrophobicContact CB-CB 4.07Å; V463-I477 HydrophobicContact CB-CG2 3.84Å; V463-I477 HydrophobicContact CG1-CB 4.02Å; V463-I477 HydrophobicContact CG1-CG2 3.61Å; V463-W521 HydrophobicContact CG2-CZ2 3.95Å
464	E	98	Very high	92.1	Very high	2 Å²	2	47.5 Å²	47.5	1%	0.009	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	147.9	171.7	-72.4	168.1	-99.9	0	0	108.7	H433 K434 R436 Y449 A450 W473 S474	H433-E464 WeakPolarHBondContact CB-OE2 3.43Å; H433-E464 IonicContact CE1-OE2 2.75Å; H433-E464 IonicContact CG-OE2 3.67Å; H433-E464 PolarHBondContact N-OE2 3.48Å; H433-E464 IonicContact ND1-OE2 3.6Å; H433-E464 PolarHBondContact ND1-OE2 2.96Å; K434-E464 PolarHBondContact N-OE1 3.36Å; R436-E464 IonicContact CZ-OE1 3.34Å; R436-E464 VanDerWaalsContact CZ-OE1 3.26Å; R436-E464 IonicContact NE-OE1 3.83Å; R436-E464 PolarHBondContact NE-OE1 3.44Å; R436-E464 IonicContact NH2-OE1 2.7Å; R436-E464 PolarHBondContact NH2-OE1 3.32Å; Y449-E464 CarbonylContact C-O 3.5Å; Y449-E464 WeakPolarHBondContact CA-O 3.22Å; A450-E464 PolarHBondContact N-O 3.25Å; A450-E464 PolarHBondContact O-N 3.38Å; A450-E464 VanDerWaalsContact O-N 3.12Å; E464-W473 HydrophobicContact CB-CE3 3.85Å; E464-W473 HydrophobicContact CB-CZ3 4.33Å; E464-S474 CarbonylContact C-O 3.55Å; E464-S474 WeakPolarHBondContact CA-O 3.32Å
465	R	97	Very high	92	Very high	74 Å²	74	49.6 Å²	49.6	28%	0.279	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	152	169.8	61.2	164.8	165.8	167.3	2.1	111.6	L447 L448 Y449 W473 S474 D476 I477	L447-R465 VanDerWaalsContact CD1-NH1 3.25Å; L448-R465 CarbonylContact O-C 3.56Å; L448-R465 WeakPolarHBondContact O-CA 3.46Å; Y449-R465 HydrophobicContact CD1-CB 3.94Å; Y449-R465 HydrophobicContact CE1-CB 3.87Å; Y449-R465 HydrophobicContact CG-CB 4.32Å; R465-W473 VanDerWaalsContact C-CE3 3.43Å; R465-W473 CarbonylContact O-C 3.48Å; R465-W473 WeakPolarHBondContact O-CA 3.4Å; R465-S474 PolarHBondContact N-O 3.41Å; R465-S474 PolarHBondContact O-N 2.9Å; R465-D476 IonicContact CZ-OD1 2.88Å; R465-D476 IonicContact CZ-OD2 3.23Å; R465-D476 IonicContact NE-OD1 2.68Å; R465-D476 PolarHBondContact NE-OD1 3.12Å; R465-D476 IonicContact NE-OD2 3.41Å; R465-D476 PolarHBondContact NE-OD2 3.35Å; R465-D476 IonicContact NH2-OD1 3.65Å; R465-D476 IonicContact NH2-OD2 2.7Å; R465-D476 PolarHBondContact NH2-OD2 2.91Å; R465-I477 HydrophobicContact CB-CD1 4.45Å; R465-I477 HydrophobicContact CB-CG1 4.05Å; R465-I477 HydrophobicContact CG-CD1 3.94Å; R465-I477 HydrophobicContact CG-CG1 3.8Å
466	Y	95.3	Very high	91.7	Very high	1 Å²	1	51.4 Å²	51.4	0%	0.004	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	133.2	172.2	174.5	-97.3	0	0	0	110	F402 V429 A430 L448 P468 N471 Q472 W473	F402-Y466 HydrophobicContact CD1-CE1 4.41Å; F402-Y466 HydrophobicContact CE1-CD1 4.29Å; F402-Y466 AromaticContact CE1-CE1 3.58Å; F402-Y466 HydrophobicContact CE1-CE1 3.58Å; F402-Y466 HydrophobicContact CZ-CE1 4.06Å; V429-Y466 HydrophobicContact CB-CE2 4.37Å; V429-Y466 WeakPolarHBondContact CB-OH 3.35Å; V429-Y466 HydrophobicContact CG2-CE2 4.31Å; A430-Y466 HydrophobicContact CB-CE2 4.32Å; L448-Y466 HydrophobicContact CD1-CD1 3.63Å; L448-Y466 HydrophobicContact CD1-CE1 4.27Å; L448-Y466 PolarHBondContact N-O 3.47Å; L448-Y466 VanDerWaalsContact N-O 3.1Å; L448-Y466 PolarHBondContact O-N 2.95Å; Y466-P468 HydrophobicContact CD1-CG 4.05Å; Y466-P468 HydrophobicContact CE1-CB 4.05Å; Y466-P468 HydrophobicContact CE1-CG 3.85Å; Y466-N471 WeakPolarHBondContact CE2-OD1 3.3Å; Y466-N471 PolarHBondContact OH-OD1 2.87Å; Y466-Q472 WeakPolarHBondContact CA-O 3.37Å; Y466-Q472 WeakPolarHBondContact CD2-O 3.26Å; Y466-W473 AromaticContact CD2-CD1 3.76Å; Y466-W473 HydrophobicContact CD2-CD2 4.13Å; Y466-W473 AromaticContact CD2-CE2 3.76Å; Y466-W473 HydrophobicContact CD2-CG 4.12Å; Y466-W473 HydrophobicContact CD2-CZ2 4.3Å; Y466-W473 AromaticContact CD2-NE1 3.52Å; Y466-W473 HydrophobicContact CG-CD2 4.36Å; Y466-W473 HydrophobicContact CG-CZ2 4.21Å
467	D	85.8	Confident	91.9	Very high	38 Å²	38	50.6 Å²	50.6	20%	0.203	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	113.9	170.4	169.8	27.7	0	0	0	110.1	L447 H469 T470 N471 Q472	L447-D467 HydrophobicContact CD2-CB 3.68Å; D467-H469 PolarHBondContact O-N 3.02Å; D467-H469 WeakPolarHBondContact OD1-CB 3.47Å; D467-H469 IonicContact OD1-CD2 2.92Å; D467-H469 IonicContact OD1-CG 3.2Å; D467-H469 PolarHBondContact OD1-N 3.14Å; D467-T470 WeakPolarHBondContact CB-OG1 3.41Å; D467-T470 VanDerWaalsContact CG-OG1 3.32Å; D467-T470 PolarHBondContact O-N 3.38Å; D467-T470 WeakPolarHBondContact OD2-CB 3.37Å; D467-T470 VanDerWaalsContact OD2-CG2 3.24Å; D467-T470 WeakPolarHBondContact OD2-CG2 3.44Å; D467-T470 PolarHBondContact OD2-N 2.86Å; D467-T470 VanDerWaalsContact OD2-N 3.08Å; D467-T470 PolarHBondContact OD2-OG1 2.87Å; D467-N471 WeakPolarHBondContact O-CA 3.32Å; D467-N471 PolarHBondContact O-N 3.34Å; D467-Q472 PolarHBondContact N-O 3.42Å; D467-Q472 PolarHBondContact O-N 3.46Å
468	P	82.6	Confident	92	Very high	1 Å²	1	44 Å²	44	1%	0.006	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-30.9	174.1	-23.8	34.8	0	0	0	113.7	F402 L448 Y466 N471 V680 L682 F687	F402-P468 HydrophobicContact CZ-CB 4.48Å; F402-P468 HydrophobicContact CZ-CG 4.28Å; L448-P468 HydrophobicContact CD1-CG 4.25Å; Y466-P468 HydrophobicContact CD1-CG 4.05Å; Y466-P468 HydrophobicContact CE1-CB 4.05Å; Y466-P468 HydrophobicContact CE1-CG 3.85Å; P468-N471 PolarHBondContact O-N 3.43Å; P468-V680 HydrophobicContact CG-CG1 4.22Å; P468-V680 HydrophobicContact CG-CG2 4.35Å; P468-L682 HydrophobicContact CB-CD2 4.27Å; P468-F687 WeakPolarHBondContact O-CE1 3.28Å; P468-F687 WeakPolarHBondContact O-CZ 3.39Å
469	H	73.5	Confident	92.1	Very high	92 Å²	92	43.9 Å²	43.9	43%	0.426	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.1	-29.6	-175.4	-61.7	-64.7	0	0	0	113.5	D467 F687	D467-H469 PolarHBondContact O-N 3.02Å; D467-H469 WeakPolarHBondContact OD1-CB 3.47Å; D467-H469 IonicContact OD1-CD2 2.92Å; D467-H469 IonicContact OD1-CG 3.2Å; D467-H469 PolarHBondContact OD1-N 3.14Å; H469-F687 WeakPolarHBondContact O-CE2 3.16Å; H469-F687 WeakPolarHBondContact O-CZ 3.31Å
470	T	78.8	Confident	92.1	Very high	76 Å²	76	39.7 Å²	39.7	47%	0.466	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.9	-12.5	172.3	53.4	0	0	0	0	113.6	D467 Q472	D467-T470 WeakPolarHBondContact CB-OG1 3.41Å; D467-T470 VanDerWaalsContact CG-OG1 3.32Å; D467-T470 PolarHBondContact O-N 3.38Å; D467-T470 WeakPolarHBondContact OD2-CB 3.37Å; D467-T470 VanDerWaalsContact OD2-CG2 3.24Å; D467-T470 WeakPolarHBondContact OD2-CG2 3.44Å; D467-T470 PolarHBondContact OD2-N 2.86Å; D467-T470 VanDerWaalsContact OD2-N 3.08Å; D467-T470 PolarHBondContact OD2-OG1 2.87Å; T470-Q472 VanDerWaalsContact C-N 3.28Å; T470-Q472 PolarHBondContact O-N 3.04Å
471	N	83	Confident	92.1	Very high	29 Å²	29	42.7 Å²	42.7	16%	0.155	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.4	43.1	-170.6	-170.2	16.8	0	0	0	112	A430 Y466 D467 P468 L689	A430-N471 WeakPolarHBondContact CB-O 3.28Å; A430-N471 PolarHBondContact N-OD1 3.33Å; Y466-N471 WeakPolarHBondContact CE2-OD1 3.3Å; Y466-N471 PolarHBondContact OH-OD1 2.87Å; D467-N471 WeakPolarHBondContact O-CA 3.32Å; D467-N471 PolarHBondContact O-N 3.34Å; P468-N471 PolarHBondContact O-N 3.43Å; N471-L689 HydrophobicContact CB-CD2 4.47Å
472	Q	84.2	Confident	91.9	Very high	121 Å²	121	41.4 Å²	41.4	57%	0.565	24%	0.237	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-128.7	149.1	-177.6	-69.9	179	23.7	0	0	112	Y466 D467 T470	Y466-Q472 WeakPolarHBondContact CA-O 3.37Å; Y466-Q472 WeakPolarHBondContact CD2-O 3.26Å; D467-Q472 PolarHBondContact N-O 3.42Å; D467-Q472 PolarHBondContact O-N 3.46Å; T470-Q472 VanDerWaalsContact C-N 3.28Å; T470-Q472 PolarHBondContact O-N 3.04Å
473	W	95.6	Very high	91.9	Very high	16 Å²	16	42.3 Å²	42.3	6%	0.061	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	147.8	166	-70.4	87.4	0	0	0	110.3	I404 A416 A430 M432 H433 A450 E464 R465 Y466	I404-W473 HydrophobicContact CD1-CH2 4.23Å; I404-W473 HydrophobicContact CD1-CZ2 4.12Å; I404-W473 HydrophobicContact CG2-CH2 3.93Å; I404-W473 HydrophobicContact CG2-CZ2 4.25Å; A416-W473 HydrophobicContact CB-CZ2 4.19Å; A430-W473 PolarHBondContact O-NE1 3.19Å; M432-W473 HydrophobicContact CB-CD2 4.37Å; M432-W473 HydrophobicContact CG-CD2 3.67Å; M432-W473 VanDerWaalsContact CG-CE2 3.44Å; M432-W473 HydrophobicContact CG-CE3 3.84Å; M432-W473 HydrophobicContact CG-CG 4.44Å; M432-W473 HydrophobicContact CG-CH2 3.65Å; M432-W473 HydrophobicContact CG-CZ2 3.44Å; M432-W473 VanDerWaalsContact CG-CZ2 3.44Å; M432-W473 HydrophobicContact CG-CZ3 3.84Å; M432-W473 HydrophobicContact SD-CH2 4.01Å; M432-W473 HydrophobicContact SD-CZ2 4.26Å; M432-W473 HydrophobicContact SD-CZ3 4.29Å; H433-W473 PolarHBondContact CE1-O 3.15Å; H433-W473 VanDerWaalsContact CE1-O 3.31Å; A450-W473 HydrophobicContact CB-CH2 4.04Å; A450-W473 HydrophobicContact CB-CZ3 3.7Å; E464-W473 HydrophobicContact CB-CE3 3.85Å; E464-W473 HydrophobicContact CB-CZ3 4.33Å; R465-W473 VanDerWaalsContact C-CE3 3.43Å; R465-W473 CarbonylContact O-C 3.48Å; R465-W473 WeakPolarHBondContact O-CA 3.4Å; Y466-W473 AromaticContact CD2-CD1 3.76Å; Y466-W473 HydrophobicContact CD2-CD2 4.13Å; Y466-W473 AromaticContact CD2-CE2 3.76Å; Y466-W473 HydrophobicContact CD2-CG 4.12Å; Y466-W473 HydrophobicContact CD2-CZ2 4.3Å; Y466-W473 AromaticContact CD2-NE1 3.52Å; Y466-W473 HydrophobicContact CG-CD2 4.36Å; Y466-W473 HydrophobicContact CG-CZ2 4.21Å
474	S	92.3	Very high	91.8	Very high	47 Å²	47	42.2 Å²	42.2	33%	0.329	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	135.9	173	-63.3	0	0	0	0	110.7	E464 R465 D476	E464-S474 CarbonylContact C-O 3.55Å; E464-S474 WeakPolarHBondContact CA-O 3.32Å; R465-S474 PolarHBondContact N-O 3.41Å; R465-S474 PolarHBondContact O-N 2.9Å; S474-D476 VanDerWaalsContact C-N 3.3Å; S474-D476 WeakPolarHBondContact CB-OD1 3.31Å
475	S	94.6	Very high	91.7	Very high	77 Å²	77	42.5 Å²	42.5	54%	0.538	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	28	174.3	-61.3	0	0	0	0	112.1	H433 I477	H433-S475 PolarHBondContact ND1-OG 3.35Å; S475-I477 VanDerWaalsContact C-N 3.3Å; S475-I477 PolarHBondContact O-N 2.9Å
476	D	91.9	Very high	91.8	Very high	72 Å²	72	40 Å²	40	39%	0.385	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	5.8	-174	64.9	-24.4	0	0	0	113.8	R465 S474 N519	R465-D476 IonicContact CZ-OD1 2.88Å; R465-D476 IonicContact CZ-OD2 3.23Å; R465-D476 IonicContact NE-OD1 2.68Å; R465-D476 PolarHBondContact NE-OD1 3.12Å; R465-D476 IonicContact NE-OD2 3.41Å; R465-D476 PolarHBondContact NE-OD2 3.35Å; R465-D476 IonicContact NH2-OD1 3.65Å; R465-D476 IonicContact NH2-OD2 2.7Å; R465-D476 PolarHBondContact NH2-OD2 2.91Å; S474-D476 VanDerWaalsContact C-N 3.3Å; S474-D476 WeakPolarHBondContact CB-OD1 3.31Å; D476-N519 PolarHBondContact O-ND2 2.93Å
477	I	97	Very high	91.9	Very high	11 Å²	11	40.5 Å²	40.5	6%	0.056	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	136.9	-176.8	-52.6	-53.1	0	0	0	110.8	Y449 V463 R465 S475 S479 Y514	Y449-I477 HydrophobicContact CD1-CG1 4.24Å; Y449-I477 HydrophobicContact CD1-CG2 4.37Å; Y449-I477 HydrophobicContact CE1-CD1 3.8Å; Y449-I477 HydrophobicContact CE1-CG1 3.87Å; Y449-I477 HydrophobicContact CE1-CG2 4.26Å; V463-I477 HydrophobicContact CB-CB 4.07Å; V463-I477 HydrophobicContact CB-CG2 3.84Å; V463-I477 HydrophobicContact CG1-CB 4.02Å; V463-I477 HydrophobicContact CG1-CG2 3.61Å; R465-I477 HydrophobicContact CB-CD1 4.45Å; R465-I477 HydrophobicContact CB-CG1 4.05Å; R465-I477 HydrophobicContact CG-CD1 3.94Å; R465-I477 HydrophobicContact CG-CG1 3.8Å; S475-I477 VanDerWaalsContact C-N 3.3Å; S475-I477 PolarHBondContact O-N 2.9Å; I477-S479 PolarHBondContact O-N 3.18Å; I477-Y514 HydrophobicContact CG2-CE1 4.48Å; I477-Y514 HydrophobicContact CG2-CE2 3.8Å
478	A	97.3	Very high	92.5	Very high	32 Å²	32	38.9 Å²	38.9	26%	0.264	23%	0.234	S	C	.	.	P	Polyproline II helix	trans	-53.2	135.9	174.3	0	0	0	0	0	111.1	N519 W521	A478-N519 WeakPolarHBondContact CB-O 3.49Å; A478-N519 WeakPolarHBondContact CB-OD1 3.24Å; A478-N519 PolarHBondContact N-OD1 3.4Å; A478-W521 VanDerWaalsContact O-CD1 3.29Å; A478-W521 PolarHBondContact O-NE1 3.21Å
479	S	97.7	Very high	93.3	Very high	59 Å²	59	39.7 Å²	39.7	41%	0.413	24%	0.239	S	C	.	.	P	Polyproline II helix	trans	-75.6	151.4	174.8	-60.1	0	0	0	0	111	N461 I477	N461-S479 WeakPolarHBondContact ND2-CB 3.48Å; N461-S479 WeakPolarHBondContact O-CA 3.37Å; N461-S479 WeakPolarHBondContact O-CB 3.47Å; I477-S479 PolarHBondContact O-N 3.18Å
480	T	97.8	Very high	94.4	Very high	1 Å²	1	35.9 Å²	35.9	1%	0.006	22%	0.224	C	C	.	.	P	Polyproline II helix	trans	-65.8	154.2	171.9	51.9	0	0	0	0	110.6	V451 N461 T482 W521	V451-T480 HydrophobicContact CG1-CG2 4.15Å; N461-T480 WeakPolarHBondContact CA-OG1 3.47Å; N461-T480 WeakPolarHBondContact CB-O 3.41Å; N461-T480 PolarHBondContact ND2-O 3.02Å; N461-T480 PolarHBondContact O-N 2.85Å; N461-T480 PolarHBondContact O-OG1 3.35Å; N461-T480 VanDerWaalsContact O-OG1 3.1Å; T480-T482 PolarHBondContact O-N 3.02Å; T480-T482 PolarHBondContact OG1-O 3.07Å; T480-W521 HydrophobicContact CG2-CD2 3.74Å; T480-W521 HydrophobicContact CG2-CE3 4.1Å; T480-W521 HydrophobicContact CG2-CG 4.26Å; T480-W521 HydrophobicContact CG2-CH2 4.14Å; T480-W521 HydrophobicContact CG2-CZ2 3.79Å; T480-W521 HydrophobicContact CG2-CZ3 4.29Å
481	S	96.6	Very high	95.3	Very high	69 Å²	69	34.5 Å²	34.5	48%	0.483	22%	0.215	S	C	.	.	S	Bend	trans	-74.2	-5.2	-176.9	65.7	0	0	0	0	114.5	E512 K523	S481-E512 VanDerWaalsContact CB-OE2 3.24Å; S481-E512 WeakPolarHBondContact CB-OE2 3.3Å; S481-E512 PolarHBondContact N-OE2 2.99Å; S481-E512 PolarHBondContact OG-OE1 3.45Å; S481-E512 PolarHBondContact OG-OE2 3.34Å; S481-K523 WeakPolarHBondContact OG-CE 3.48Å
482	T	94.8	Very high	95.8	Very high	32 Å²	32	33.3 Å²	33.3	20%	0.196	21%	0.208	C	C	.	.	S	Bend	trans	-142.6	155.7	174.8	48.1	0	0	0	0	109.4	N461 T480 E512	N461-T482 WeakPolarHBondContact CB-O 3.08Å; T480-T482 PolarHBondContact O-N 3.02Å; T480-T482 PolarHBondContact OG1-O 3.07Å; T482-E512 PolarHBondContact OG1-OE1 2.98Å
483	C	97	Very high	96.1	Very high	36 Å²	36	33.6 Å²	33.6	24%	0.243	21%	0.214	C	C	.	.			trans	-68.1	143.8	169.5	-64.1	0	0	0	0	110.2	Y459 L460 D503	Y459-C483 PolarHBondContact O-SG 3.21Å; L460-C483 WeakPolarHBondContact O-CA 3.49Å; C483-D503 VanDerWaalsContact O-CA 3.24Å; C483-D503 WeakPolarHBondContact O-CA 3.19Å; C483-D503 WeakPolarHBondContact O-CB 3.29Å
484	R	96.2	Very high	95.7	Very high	0 Å²	0	34 Å²	34	0%	0	22%	0.223	C	C	.	.			trans	-144	89.8	-170.8	-73.2	-174.7	177.8	-94.6	9	111.3	G452 G453 L460 V487 G500 L508 F510 E512	G452-R484 WeakPolarHBondContact CA-O 3.29Å; G453-R484 PolarHBondContact N-O 3.49Å; L460-R484 PolarHBondContact O-N 3.38Å; R484-V487 HydrophobicContact CB-CB 4.01Å; R484-V487 HydrophobicContact CB-CG1 4.14Å; R484-V487 HydrophobicContact CB-CG2 4.17Å; R484-V487 WeakPolarHBondContact O-CG1 3.34Å; R484-G500 PolarHBondContact NH1-O 3.04Å; R484-L508 HydrophobicContact CG-CD1 3.93Å; R484-F510 PolarHBondContact NH1-O 3.48Å; R484-F510 PolarHBondContact NH2-O 3.43Å; R484-F510 VanDerWaalsContact NH2-O 3.08Å; R484-E512 IonicContact CZ-OE1 2.86Å; R484-E512 IonicContact NE-OE1 2.73Å; R484-E512 PolarHBondContact NE-OE1 2.6Å; R484-E512 IonicContact NH2-OE1 3.22Å; R484-E512 PolarHBondContact NH2-OE1 3.32Å
485	T	97.4	Very high	95.7	Very high	8 Å²	8	33.1 Å²	33.1	5%	0.049	22%	0.217	C	C	.	.	B	Isolated β-bridge	trans	-97	145.7	170.8	-59.6	0	0	0	0	111	G453 H454 Y459 V487 G501 Q502	G453-T485 PolarHBondContact O-OG1 3.09Å; H454-T485 HydrophobicContact CB-CG2 3.84Å; Y459-T485 VanDerWaalsContact CD1-OG1 3.26Å; Y459-T485 WeakPolarHBondContact CD1-OG1 3.44Å; T485-V487 VanDerWaalsContact C-N 3.25Å; T485-V487 PolarHBondContact O-N 3.16Å; T485-G501 CarbonylContact O-C 3.52Å; T485-G501 WeakPolarHBondContact O-CA 3.47Å; T485-Q502 PolarHBondContact N-O 3.27Å; T485-Q502 PolarHBondContact O-N 2.87Å
486	S	97.6	Very high	95.9	Very high	23 Å²	23	29.5 Å²	29.5	16%	0.161	19%	0.191	C	C	.	.	S	Bend	trans	53.9	43.2	-174.6	-62.7	0	0	0	0	112.4	G438 G501 G533	G438-S486 WeakPolarHBondContact O-CA 3.44Å; G438-S486 PolarHBondContact O-N 3.5Å; S486-G501 WeakPolarHBondContact O-CA 3.45Å; S486-G533 WeakPolarHBondContact O-CA 3.24Å; S486-G533 PolarHBondContact O-N 2.98Å
487	V	98.3	Very high	96.2	Very high	10 Å²	10	27.1 Å²	27.1	6%	0.061	18%	0.177	C	C	.	.			trans	-90.8	138.3	-177.9	58.3	0	0	0	0	110.7	R484 T485 V489 A498 V499	R484-V487 HydrophobicContact CB-CB 4.01Å; R484-V487 HydrophobicContact CB-CG1 4.14Å; R484-V487 HydrophobicContact CB-CG2 4.17Å; R484-V487 WeakPolarHBondContact O-CG1 3.34Å; T485-V487 VanDerWaalsContact C-N 3.25Å; T485-V487 PolarHBondContact O-N 3.16Å; V487-V489 HydrophobicContact CG1-CG2 4.47Å; V487-A498 HydrophobicContact CG2-CB 4.2Å; V487-V499 WeakPolarHBondContact CG2-O 3.38Å
488	G	98.3	Very high	96.2	Very high	5 Å²	5	26.6 Å²	26.6	5%	0.052	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	133.2	169.9	0	0	0	0	0	110.2	V499	G488-V499 PolarHBondContact N-O 3.34Å; G488-V499 PolarHBondContact O-N 3.41Å
489	V	98.4	Very high	96.3	Very high	17 Å²	17	25 Å²	25	10%	0.103	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	133.9	174.5	172.6	0	0	0	0	110.2	V451 V487 M496 Y497 V536	V451-V489 HydrophobicContact CB-CG2 3.97Å; V451-V489 HydrophobicContact CG1-CG2 4.33Å; V451-V489 HydrophobicContact CG2-CG1 4.48Å; V451-V489 HydrophobicContact CG2-CG2 4.11Å; V487-V489 HydrophobicContact CG1-CG2 4.47Å; V489-M496 HydrophobicContact CG1-CG 3.65Å; V489-M496 HydrophobicContact CG1-SD 3.66Å; V489-Y497 WeakPolarHBondContact CA-O 3.33Å; V489-V536 VanDerWaalsContact O-CG2 3.31Å; V489-V536 WeakPolarHBondContact O-CG2 3.26Å
490	A	97.8	Very high	96.3	Very high	13 Å²	13	22.2 Å²	22.2	11%	0.107	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	163.8	177.2	0	0	0	0	0	110.4	Y497 V536 V538 L543	A490-Y497 PolarHBondContact N-O 2.94Å; A490-Y497 PolarHBondContact O-N 3.35Å; A490-V536 HydrophobicContact CB-CB 4.31Å; A490-V536 HydrophobicContact CB-CG2 3.88Å; A490-V538 HydrophobicContact CB-CG2 4Å; A490-L543 HydrophobicContact CB-CD1 3.73Å
491	V	96.5	Very high	96.3	Very high	46 Å²	46	22.2 Å²	22.2	28%	0.279	14%	0.142	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	126.7	-176.6	-179.9	0	0	0	0	109.7	V443 V444 S495 M496	V443-V491 WeakPolarHBondContact O-CG2 3.46Å; V444-V491 HydrophobicContact CG2-CG1 4.05Å; V444-V491 HydrophobicContact CG2-CG2 3.63Å; V491-S495 WeakPolarHBondContact CA-O 3.19Å; V491-M496 HydrophobicContact CG2-CB 4.15Å; V491-M496 HydrophobicContact CG2-CG 4.32Å
492	L	95	Very high	96.4	Very high	4 Å²	4	21.2 Å²	21.2	2%	0.021	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	125.1	-176.1	169.8	60.9	0	0	0	108.7	G494 S495 Y497 V538 G541 L543 P563	L492-G494 PolarHBondContact O-N 2.91Å; L492-S495 PolarHBondContact N-O 3.23Å; L492-S495 PolarHBondContact O-N 3.21Å; L492-S495 VanDerWaalsContact O-N 3.09Å; L492-Y497 HydrophobicContact CB-CD2 4.09Å; L492-Y497 HydrophobicContact CB-CE2 3.79Å; L492-Y497 HydrophobicContact CD2-CE2 4.37Å; L492-Y497 HydrophobicContact CG-CE2 4.33Å; L492-V538 HydrophobicContact CB-CG1 4.35Å; L492-V538 HydrophobicContact CB-CG2 4.07Å; L492-V538 HydrophobicContact CD1-CG1 3.81Å; L492-G541 WeakPolarHBondContact CD1-O 3.49Å; L492-L543 HydrophobicContact CD2-CB 3.93Å; L492-P563 HydrophobicContact CD2-CB 4.32Å; L492-P563 HydrophobicContact CD2-CG 4.07Å
493	N	89.6	Confident	96.4	Very high	128 Å²	128	21.7 Å²	21.7	68%	0.684	13%	0.131	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.6	36.8	179.8	-56.4	-13.3	0	0	0	113.8	S495	N493-S495 VanDerWaalsContact C-N 3.29Å; N493-S495 PolarHBondContact O-N 3.24Å
494	G	87.1	Confident	96.3	Very high	25 Å²	25	21.8 Å²	21.8	26%	0.258	14%	0.138	S	C	.	.	T	Hydrogen-bonded Turn	trans	84.9	-13.9	-179.4	0	0	0	0	0	115.3	V444 L492	V444-G494 WeakPolarHBondContact CG1-O 3.4Å; L492-G494 PolarHBondContact O-N 2.91Å
495	S	93.3	Very high	96.2	Very high	28 Å²	28	28.6 Å²	28.6	20%	0.196	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	146.8	178.6	-51.8	0	0	0	0	112	V491 L492 N493 C513 Y514	V491-S495 WeakPolarHBondContact CA-O 3.19Å; L492-S495 PolarHBondContact N-O 3.23Å; L492-S495 PolarHBondContact O-N 3.21Å; L492-S495 VanDerWaalsContact O-N 3.09Å; N493-S495 VanDerWaalsContact C-N 3.29Å; N493-S495 PolarHBondContact O-N 3.24Å; S495-C513 WeakPolarHBondContact CB-SG 3.36Å; S495-Y514 WeakPolarHBondContact CA-O 3.49Å; S495-Y514 WeakPolarHBondContact CB-O 3.48Å
496	M	97.4	Very high	96.1	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	125.4	-179.2	175.1	175	55.4	0	0	111.2	V444 Y449 V451 V489 V491 C513 Y514 W521	V444-M496 HydrophobicContact CG2-CB 3.95Å; Y449-M496 HydrophobicContact CD1-CE 3.71Å; Y449-M496 HydrophobicContact CD2-CE 4.5Å; Y449-M496 HydrophobicContact CE1-CE 4.47Å; Y449-M496 HydrophobicContact CG-CE 3.72Å; Y449-M496 HydrophobicContact CG-SD 4.13Å; V451-M496 HydrophobicContact CG2-CE 3.95Å; V451-M496 HydrophobicContact CG2-SD 3.91Å; V489-M496 HydrophobicContact CG1-CG 3.65Å; V489-M496 HydrophobicContact CG1-SD 3.66Å; V491-M496 HydrophobicContact CG2-CB 4.15Å; V491-M496 HydrophobicContact CG2-CG 4.32Å; M496-C513 CarbonylContact O-C 3.36Å; M496-Y514 HydrophobicContact CB-CD1 4.47Å; M496-Y514 HydrophobicContact CE-CD1 3.84Å; M496-Y514 HydrophobicContact CE-CG 4.23Å; M496-Y514 PolarHBondContact N-O 2.93Å; M496-Y514 VanDerWaalsContact N-O 3.08Å; M496-Y514 PolarHBondContact O-N 3.42Å; M496-W521 HydrophobicContact CE-CH2 3.87Å; M496-W521 HydrophobicContact CE-CZ2 3.95Å; M496-W521 HydrophobicContact CG-CH2 4.45Å
497	Y	98.3	Very high	96.1	Very high	22 Å²	22	30 Å²	30	9%	0.086	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	127.3	-177.4	-70.5	-107.4	0	0	0	110.6	V489 A490 L492 V511 E512 C513 V524 L543 F561	V489-Y497 WeakPolarHBondContact CA-O 3.33Å; A490-Y497 PolarHBondContact N-O 2.94Å; A490-Y497 PolarHBondContact O-N 3.35Å; L492-Y497 HydrophobicContact CB-CD2 4.09Å; L492-Y497 HydrophobicContact CB-CE2 3.79Å; L492-Y497 HydrophobicContact CD2-CE2 4.37Å; L492-Y497 HydrophobicContact CG-CE2 4.33Å; Y497-V511 HydrophobicContact CD1-CG1 4.21Å; Y497-E512 CarbonylContact C-O 3.56Å; Y497-E512 WeakPolarHBondContact CA-O 3.48Å; Y497-C513 HydrophobicContact CD1-CB 4.09Å; Y497-C513 HydrophobicContact CE1-CB 3.91Å; Y497-C513 VanDerWaalsContact CZ-SG 3.51Å; Y497-V524 HydrophobicContact CD1-CG2 4.38Å; Y497-V524 HydrophobicContact CE1-CG2 4.32Å; Y497-L543 HydrophobicContact CD1-CD2 3.78Å; Y497-L543 HydrophobicContact CD2-CD2 4.46Å; Y497-L543 HydrophobicContact CG-CD2 3.72Å; Y497-F561 HydrophobicContact CE1-CD1 4.37Å; Y497-F561 AromaticContact CE1-CE1 3.93Å; Y497-F561 HydrophobicContact CE1-CE1 3.93Å
498	A	98.4	Very high	96.1	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	112	171.1	0	0	0	0	0	109.6	V451 V487 V511 E512 W521	V451-A498 HydrophobicContact CG1-CB 4.33Å; V487-A498 HydrophobicContact CG2-CB 4.2Å; A498-V511 WeakPolarHBondContact O-CA 3.42Å; A498-E512 PolarHBondContact N-O 3.3Å; A498-E512 PolarHBondContact O-N 3.03Å; A498-W521 HydrophobicContact CB-CE3 4.45Å; A498-W521 HydrophobicContact CB-CH2 3.87Å; A498-W521 HydrophobicContact CB-CZ3 3.56Å
499	V	98.7	Very high	96.1	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	116.7	-165.2	-176.4	0	0	0	0	110.3	V487 G488 V511 M527 V534 V536 L543 A545 W568	V487-V499 WeakPolarHBondContact CG2-O 3.38Å; G488-V499 PolarHBondContact N-O 3.34Å; G488-V499 PolarHBondContact O-N 3.41Å; V499-V511 HydrophobicContact CG1-CG2 4.36Å; V499-V511 HydrophobicContact CG2-CG1 4.1Å; V499-M527 HydrophobicContact CG1-CE 3.83Å; V499-M527 HydrophobicContact CG1-CG 4.45Å; V499-M527 HydrophobicContact CG1-SD 3.42Å; V499-M527 WeakPolarHBondContact CG1-SD 3.39Å; V499-V534 WeakPolarHBondContact O-CG1 3.5Å; V499-V536 HydrophobicContact CB-CG1 3.95Å; V499-V536 HydrophobicContact CG1-CG1 4.02Å; V499-V536 HydrophobicContact CG2-CG1 4.12Å; V499-L543 HydrophobicContact CG2-CD2 3.97Å; V499-A545 HydrophobicContact CG1-CB 4.15Å; V499-W568 HydrophobicContact CG1-CH2 4.3Å
500	G	98.2	Very high	96	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	20%	0.204	C	C	.	.			trans	61.4	-137	175.8	0	0	0	0	0	114	R484 L508 F510	R484-G500 PolarHBondContact NH1-O 3.04Å; G500-L508 WeakPolarHBondContact CA-O 3.29Å; G500-F510 PolarHBondContact N-O 2.88Å
501	G	98.1	Very high	96	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	20%	0.199	C	C	.	.			trans	91.6	-159.3	-170.1	0	0	0	0	0	113	T485 S486 L508 R531	T485-G501 CarbonylContact O-C 3.52Å; T485-G501 WeakPolarHBondContact O-CA 3.47Å; S486-G501 WeakPolarHBondContact O-CA 3.45Å; G501-L508 WeakPolarHBondContact O-CB 3.42Å; G501-L508 PolarHBondContact O-N 3.17Å; G501-R531 PolarHBondContact N-O 3.32Å
502	Q	97.6	Very high	96	Very high	48 Å²	48	31.2 Å²	31.2	22%	0.224	19%	0.186	C	C	.	.	B	Isolated β-bridge	trans	-136.7	146.6	172.4	62.5	-179.8	5.7	0	0	111	Y459 T485 S506 L532	Y459-Q502 HydrophobicContact CD1-CG 4.5Å; Y459-Q502 HydrophobicContact CE1-CG 4.01Å; T485-Q502 PolarHBondContact N-O 3.27Å; T485-Q502 PolarHBondContact O-N 2.87Å; Q502-S506 VanDerWaalsContact CA-O 3.32Å; Q502-S506 WeakPolarHBondContact CA-O 3.3Å; Q502-S506 WeakPolarHBondContact CB-O 3.34Å; Q502-L532 HydrophobicContact CB-CB 4.38Å
503	D	96.2	Very high	96.2	Very high	42 Å²	42	31.7 Å²	31.7	23%	0.225	19%	0.19	C	C	.	.			trans	-95.1	-8.5	-178.9	57.7	21.8	0	0	0	114	C483 V505 S506 L508	C483-D503 VanDerWaalsContact O-CA 3.24Å; C483-D503 WeakPolarHBondContact O-CA 3.19Å; C483-D503 WeakPolarHBondContact O-CB 3.29Å; D503-V505 WeakPolarHBondContact OD1-CA 3.41Å; D503-V505 PolarHBondContact OD1-N 3.18Å; D503-S506 PolarHBondContact N-O 3.24Å; D503-S506 PolarHBondContact OD1-N 2.91Å; D503-S506 PolarHBondContact OD2-OG 3.13Å; D503-L508 HydrophobicContact CB-CD1 4.37Å; D503-L508 HydrophobicContact CB-CD2 4.32Å; D503-L508 WeakPolarHBondContact OD2-CD2 3.49Å
504	G	93.9	Very high	96.6	Very high	38 Å²	38	25.8 Å²	25.8	39%	0.392	16%	0.158	S	C	.	.	S	Bend	trans	105	-9.5	-173.8	0	0	0	0	0	114.3
505	V	94.9	Very high	96.8	Very high	144 Å²	144	27 Å²	27	87%	0.873	16%	0.158	S	C	*	.	S	Bend	trans	-123.1	-34.3	176.9	-176.5	0	0	0	0	111.3	D503	D503-V505 WeakPolarHBondContact OD1-CA 3.41Å; D503-V505 PolarHBondContact OD1-N 3.18Å
506	S	95.4	Very high	96.6	Very high	40 Å²	40	26.8 Å²	26.8	28%	0.28	16%	0.157	S	C	.	.	S	Bend	trans	-143.5	153.7	-171.3	85.3	0	0	0	0	113.3	Q502 D503	Q502-S506 VanDerWaalsContact CA-O 3.32Å; Q502-S506 WeakPolarHBondContact CA-O 3.3Å; Q502-S506 WeakPolarHBondContact CB-O 3.34Å; D503-S506 PolarHBondContact N-O 3.24Å; D503-S506 PolarHBondContact OD1-N 2.91Å; D503-S506 PolarHBondContact OD2-OG 3.13Å
507	C	97	Very high	96.2	Very high	19 Å²	19	32.5 Å²	32.5	13%	0.128	19%	0.187	C	C	.	.	B	Isolated β-bridge	trans	-84	128.4	170	-59	0	0	0	0	109	R530 L532 G551	C507-R530 HydrophobicContact CB-CB 4.15Å; C507-R530 WeakPolarHBondContact O-CD 3.43Å; C507-R530 VanDerWaalsContact O-CG 3.27Å; C507-R530 WeakPolarHBondContact O-CG 3.3Å; C507-R530 PolarHBondContact O-NH1 3.43Å; C507-L532 WeakPolarHBondContact SG-CD2 3.45Å; C507-G551 WeakPolarHBondContact SG-CA 3.36Å
508	L	97.9	Very high	96	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	21%	0.206	C	C	.	.			trans	-92.7	139.6	-167.8	-59.8	175.7	0	0	0	112.4	R484 G500 G501 D503 F510 R531	R484-L508 HydrophobicContact CG-CD1 3.93Å; G500-L508 WeakPolarHBondContact CA-O 3.29Å; G501-L508 WeakPolarHBondContact O-CB 3.42Å; G501-L508 PolarHBondContact O-N 3.17Å; D503-L508 HydrophobicContact CB-CD1 4.37Å; D503-L508 HydrophobicContact CB-CD2 4.32Å; D503-L508 WeakPolarHBondContact OD2-CD2 3.49Å; L508-F510 HydrophobicContact CD2-CD2 4.12Å; L508-R531 PolarHBondContact O-N 2.87Å
509	N	98	Very high	95.8	Very high	30 Å²	30	38.2 Å²	38.2	16%	0.16	22%	0.222	C	C	.	.			trans	-108.1	-10.3	160.3	71.9	-45.1	0	0	0	112.5	M527 T529 R530	N509-M527 HydrophobicContact CB-CB 4.2Å; N509-M527 WeakPolarHBondContact CB-O 3.23Å; N509-M527 PolarHBondContact ND2-O 2.98Å; N509-M527 PolarHBondContact O-N 3.46Å; N509-T529 VanDerWaalsContact CB-O 3.26Å; N509-T529 WeakPolarHBondContact CB-O 3.34Å; N509-R530 HydrophobicContact CB-CG 3.99Å
510	F	95.9	Very high	95.8	Very high	84 Å²	84	44.3 Å²	44.3	37%	0.368	25%	0.248	S	C	.	.			trans	-64.1	142.2	178.7	-55.6	-42.2	0	0	0	111.8	R484 G500 L508	R484-F510 PolarHBondContact NH1-O 3.48Å; R484-F510 PolarHBondContact NH2-O 3.43Å; R484-F510 VanDerWaalsContact NH2-O 3.08Å; G500-F510 PolarHBondContact N-O 2.88Å; L508-F510 HydrophobicContact CD2-CD2 4.12Å
511	V	98.2	Very high	95.8	Very high	1 Å²	1	45.7 Å²	45.7	1%	0.006	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	136.8	178.3	-174.5	0	0	0	0	109.1	Y497 A498 V499 V524 M527 W568	Y497-V511 HydrophobicContact CD1-CG1 4.21Å; A498-V511 WeakPolarHBondContact O-CA 3.42Å; V499-V511 HydrophobicContact CG1-CG2 4.36Å; V499-V511 HydrophobicContact CG2-CG1 4.1Å; V511-V524 HydrophobicContact CB-CG2 3.78Å; V511-V524 HydrophobicContact CG1-CG2 3.6Å; V511-V524 PolarHBondContact O-N 2.68Å; V511-M527 HydrophobicContact CG2-CG 4.03Å; V511-W568 HydrophobicContact CG1-CZ2 4.45Å; V511-W568 HydrophobicContact CG2-CZ2 3.83Å
512	E	98	Very high	95.7	Very high	2 Å²	2	51 Å²	51	1%	0.009	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	140.4	176.2	-73.3	168.7	-92.2	0	0	109.7	S481 T482 R484 Y497 A498 W521 L522 K523	S481-E512 VanDerWaalsContact CB-OE2 3.24Å; S481-E512 WeakPolarHBondContact CB-OE2 3.3Å; S481-E512 PolarHBondContact N-OE2 2.99Å; S481-E512 PolarHBondContact OG-OE1 3.45Å; S481-E512 PolarHBondContact OG-OE2 3.34Å; T482-E512 PolarHBondContact OG1-OE1 2.98Å; R484-E512 IonicContact CZ-OE1 2.86Å; R484-E512 IonicContact NE-OE1 2.73Å; R484-E512 PolarHBondContact NE-OE1 2.6Å; R484-E512 IonicContact NH2-OE1 3.22Å; R484-E512 PolarHBondContact NH2-OE1 3.32Å; Y497-E512 CarbonylContact C-O 3.56Å; Y497-E512 WeakPolarHBondContact CA-O 3.48Å; A498-E512 PolarHBondContact N-O 3.3Å; A498-E512 PolarHBondContact O-N 3.03Å; E512-W521 HydrophobicContact CB-CE3 3.72Å; E512-W521 HydrophobicContact CB-CZ3 4.37Å; E512-L522 CarbonylContact C-O 3.59Å; E512-L522 VanDerWaalsContact CA-O 3.32Å; E512-L522 WeakPolarHBondContact CA-O 3.23Å; E512-K523 HydrophobicContact CG-CG 3.92Å
513	C	97.3	Very high	95.6	Very high	15 Å²	15	55.1 Å²	55.1	10%	0.101	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	124.7	179.8	-178	0	0	0	0	109.3	S495 M496 Y497 W521 L522 V524	S495-C513 WeakPolarHBondContact CB-SG 3.36Å; M496-C513 CarbonylContact O-C 3.36Å; Y497-C513 HydrophobicContact CD1-CB 4.09Å; Y497-C513 HydrophobicContact CE1-CB 3.91Å; Y497-C513 VanDerWaalsContact CZ-SG 3.51Å; C513-W521 CarbonylContact O-C 3.57Å; C513-W521 WeakPolarHBondContact O-CA 3.4Å; C513-L522 PolarHBondContact N-O 3.04Å; C513-L522 PolarHBondContact O-N 3.27Å; C513-V524 HydrophobicContact CB-CG1 3.6Å; C513-V524 HydrophobicContact CB-CG2 4.47Å
514	Y	98	Very high	95.6	Very high	4 Å²	4	55.1 Å²	55.1	2%	0.016	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	121.8	177.3	178.1	-107.7	0	0	0	110.4	Y449 I477 S495 M496 P516 N519 K520 W521	Y449-Y514 AromaticContact CE1-CE1 3.92Å; Y449-Y514 HydrophobicContact CE1-CE1 3.92Å; I477-Y514 HydrophobicContact CG2-CE1 4.48Å; I477-Y514 HydrophobicContact CG2-CE2 3.8Å; S495-Y514 WeakPolarHBondContact CA-O 3.49Å; S495-Y514 WeakPolarHBondContact CB-O 3.48Å; M496-Y514 HydrophobicContact CB-CD1 4.47Å; M496-Y514 HydrophobicContact CE-CD1 3.84Å; M496-Y514 HydrophobicContact CE-CG 4.23Å; M496-Y514 PolarHBondContact N-O 2.93Å; M496-Y514 VanDerWaalsContact N-O 3.08Å; M496-Y514 PolarHBondContact O-N 3.42Å; Y514-P516 HydrophobicContact CD1-CB 4.43Å; Y514-P516 VanDerWaalsContact CE1-CA 3.45Å; Y514-P516 HydrophobicContact CE1-CB 3.82Å; Y514-N519 WeakPolarHBondContact CE2-OD1 3.48Å; Y514-N519 PolarHBondContact OH-OD1 3.19Å; Y514-K520 WeakPolarHBondContact CA-O 3.24Å; Y514-W521 HydrophobicContact CD2-CD2 4.13Å; Y514-W521 AromaticContact CD2-CE2 3.85Å; Y514-W521 HydrophobicContact CD2-CG 4.24Å; Y514-W521 HydrophobicContact CD2-CZ2 4.34Å; Y514-W521 AromaticContact CD2-NE1 3.75Å; Y514-W521 HydrophobicContact CG-CD2 4.36Å; Y514-W521 HydrophobicContact CG-CZ2 4.21Å
515	D	93.1	Very high	95.8	Very high	49 Å²	49	55.4 Å²	55.4	26%	0.262	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	113.2	166.2	179.7	-1.9	0	0	0	109.3	N517 V518 N519 K520	D515-N517 PolarHBondContact O-N 2.7Å; D515-N517 WeakPolarHBondContact OD1-CB 3.41Å; D515-N517 PolarHBondContact OD1-N 3.47Å; D515-N517 PolarHBondContact OD1-ND2 3.49Å; D515-V518 HydrophobicContact CB-CG2 3.83Å; D515-N519 PolarHBondContact O-N 2.92Å; D515-N519 VanDerWaalsContact O-N 3.11Å; D515-K520 PolarHBondContact N-O 3.17Å; D515-K520 PolarHBondContact O-N 3.05Å
516	P	88.4	Confident	95.9	Very high	24 Å²	24	50.8 Å²	50.8	16%	0.156	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-23.8	179.9	29.7	-37.8	0	0	0	113.6	V444 Y445 Y514	V444-P516 HydrophobicContact CG1-CB 4.28Å; V444-P516 HydrophobicContact CG1-CG 3.96Å; Y445-P516 HydrophobicContact CD2-CG 4.31Å; Y445-P516 HydrophobicContact CE2-CB 4.2Å; Y445-P516 HydrophobicContact CE2-CG 3.59Å; Y514-P516 HydrophobicContact CD1-CB 4.43Å; Y514-P516 VanDerWaalsContact CE1-CA 3.45Å; Y514-P516 HydrophobicContact CE1-CB 3.82Å
517	N	88.7	Confident	96.1	Very high	121 Å²	121	49 Å²	49	65%	0.647	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.4	-28.7	-174.1	-55.2	-80.4	0	0	0	112.4	D515	D515-N517 PolarHBondContact O-N 2.7Å; D515-N517 WeakPolarHBondContact OD1-CB 3.41Å; D515-N517 PolarHBondContact OD1-N 3.47Å; D515-N517 PolarHBondContact OD1-ND2 3.49Å
518	V	94.4	Very high	96.1	Very high	80 Å²	80	53.1 Å²	53.1	49%	0.485	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-112.6	-0.3	178.6	-59.1	0	0	0	0	113.6	D515 K520	D515-V518 HydrophobicContact CB-CG2 3.83Å; V518-K520 HydrophobicContact CG2-CB 4.06Å; V518-K520 HydrophobicContact CG2-CD 4.29Å; V518-K520 HydrophobicContact CG2-CG 4.35Å
519	N	94.9	Very high	96.1	Very high	61 Å²	61	54.8 Å²	54.8	33%	0.326	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.3	55.1	-177.4	-168.5	1.6	0	0	0	112.7	D476 A478 Y514 D515	D476-N519 PolarHBondContact O-ND2 2.93Å; A478-N519 WeakPolarHBondContact CB-O 3.49Å; A478-N519 WeakPolarHBondContact CB-OD1 3.24Å; A478-N519 PolarHBondContact N-OD1 3.4Å; Y514-N519 WeakPolarHBondContact CE2-OD1 3.48Å; Y514-N519 PolarHBondContact OH-OD1 3.19Å; D515-N519 PolarHBondContact O-N 2.92Å; D515-N519 VanDerWaalsContact O-N 3.11Å
520	K	97.3	Very high	96.1	Very high	128 Å²	128	58.7 Å²	58.7	56%	0.557	30%	0.3	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-140.5	142.1	-178.9	-70.3	172.1	-173.3	172.5	0	112.6	Y514 D515 V518	Y514-K520 WeakPolarHBondContact CA-O 3.24Å; D515-K520 PolarHBondContact N-O 3.17Å; D515-K520 PolarHBondContact O-N 3.05Å; V518-K520 HydrophobicContact CG2-CB 4.06Å; V518-K520 HydrophobicContact CG2-CD 4.29Å; V518-K520 HydrophobicContact CG2-CG 4.35Å
521	W	98	Very high	96.3	Very high	29 Å²	29	54.8 Å²	54.8	11%	0.11	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	134.8	164.4	-66	92.6	0	0	0	110.5	V451 V463 A478 T480 M496 A498 E512 C513 Y514	V451-W521 HydrophobicContact CG1-CH2 4.13Å; V451-W521 HydrophobicContact CG1-CZ2 4.2Å; V451-W521 HydrophobicContact CG2-CH2 4.24Å; V451-W521 HydrophobicContact CG2-CZ2 4.3Å; V463-W521 HydrophobicContact CG2-CZ2 3.95Å; A478-W521 VanDerWaalsContact O-CD1 3.29Å; A478-W521 PolarHBondContact O-NE1 3.21Å; T480-W521 HydrophobicContact CG2-CD2 3.74Å; T480-W521 HydrophobicContact CG2-CE3 4.1Å; T480-W521 HydrophobicContact CG2-CG 4.26Å; T480-W521 HydrophobicContact CG2-CH2 4.14Å; T480-W521 HydrophobicContact CG2-CZ2 3.79Å; T480-W521 HydrophobicContact CG2-CZ3 4.29Å; M496-W521 HydrophobicContact CE-CH2 3.87Å; M496-W521 HydrophobicContact CE-CZ2 3.95Å; M496-W521 HydrophobicContact CG-CH2 4.45Å; A498-W521 HydrophobicContact CB-CE3 4.45Å; A498-W521 HydrophobicContact CB-CH2 3.87Å; A498-W521 HydrophobicContact CB-CZ3 3.56Å; E512-W521 HydrophobicContact CB-CE3 3.72Å; E512-W521 HydrophobicContact CB-CZ3 4.37Å; C513-W521 CarbonylContact O-C 3.57Å; C513-W521 WeakPolarHBondContact O-CA 3.4Å; Y514-W521 HydrophobicContact CD2-CD2 4.13Å; Y514-W521 AromaticContact CD2-CE2 3.85Å; Y514-W521 HydrophobicContact CD2-CG 4.24Å; Y514-W521 HydrophobicContact CD2-CZ2 4.34Å; Y514-W521 AromaticContact CD2-NE1 3.75Å; Y514-W521 HydrophobicContact CG-CD2 4.36Å; Y514-W521 HydrophobicContact CG-CZ2 4.21Å
522	L	96.8	Very high	96.2	Very high	112 Å²	112	55.6 Å²	55.6	59%	0.586	29%	0.287	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-118.8	135.4	172.8	-62	176.3	0	0	0	109.2	E512 C513 V524	E512-L522 CarbonylContact C-O 3.59Å; E512-L522 VanDerWaalsContact CA-O 3.32Å; E512-L522 WeakPolarHBondContact CA-O 3.23Å; C513-L522 PolarHBondContact N-O 3.04Å; C513-L522 PolarHBondContact O-N 3.27Å; L522-V524 PolarHBondContact O-N 3.05Å
523	K	96.2	Very high	96.2	Very high	134 Å²	134	55.8 Å²	55.8	58%	0.583	29%	0.289	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.5	128.6	171.5	-70.6	-176.3	179.8	-176.7	0	109.1	S481 E512	S481-K523 WeakPolarHBondContact OG-CE 3.48Å; E512-K523 HydrophobicContact CG-CG 3.92Å
524	V	95.9	Very high	96.3	Very high	42 Å²	42	55.6 Å²	55.6	26%	0.255	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	-176.8	177.1	-61	0	0	0	0	110.4	Y497 V511 C513 L522 S526	Y497-V524 HydrophobicContact CD1-CG2 4.38Å; Y497-V524 HydrophobicContact CE1-CG2 4.32Å; V511-V524 HydrophobicContact CB-CG2 3.78Å; V511-V524 HydrophobicContact CG1-CG2 3.6Å; V511-V524 PolarHBondContact O-N 2.68Å; C513-V524 HydrophobicContact CB-CG1 3.6Å; C513-V524 HydrophobicContact CB-CG2 4.47Å; L522-V524 PolarHBondContact O-N 3.05Å; V524-S526 PolarHBondContact O-N 3.14Å
525	S	97.2	Very high	96.3	Very high	45 Å²	45	55.6 Å²	55.6	32%	0.315	29%	0.289	S	S	.	.	P	Polyproline II helix	trans	-49.2	130.3	175.4	-151.7	0	0	0	0	111.1	G566 W568	S525-G566 WeakPolarHBondContact CB-O 3.37Å; S525-G566 PolarHBondContact OG-O 3.37Å; S525-W568 PolarHBondContact O-NE1 3.36Å
526	S	98	Very high	96.6	Very high	46 Å²	46	54.1 Å²	54.1	32%	0.322	28%	0.282	S	S	.	.	P	Polyproline II helix	trans	-89.1	150	-176.3	-61.2	0	0	0	0	111	V524 W568	V524-S526 PolarHBondContact O-N 3.14Å; S526-W568 VanDerWaalsContact C-CD1 3.42Å
527	M	98.4	Very high	97	Very high	3 Å²	3	53.3 Å²	53.3	2%	0.015	28%	0.277	C	S	.	.	P	Polyproline II helix	trans	-60.3	151.7	175.3	-68.6	-177.6	-60	0	0	111.2	V499 N509 V511 T529 R531 A545 E559 W568	V499-M527 HydrophobicContact CG1-CE 3.83Å; V499-M527 HydrophobicContact CG1-CG 4.45Å; V499-M527 HydrophobicContact CG1-SD 3.42Å; V499-M527 WeakPolarHBondContact CG1-SD 3.39Å; N509-M527 HydrophobicContact CB-CB 4.2Å; N509-M527 WeakPolarHBondContact CB-O 3.23Å; N509-M527 PolarHBondContact ND2-O 2.98Å; N509-M527 PolarHBondContact O-N 3.46Å; V511-M527 HydrophobicContact CG2-CG 4.03Å; M527-T529 VanDerWaalsContact C-N 3.27Å; M527-T529 WeakPolarHBondContact CB-O 3.32Å; M527-R531 HydrophobicContact CE-CB 4.03Å; M527-R531 HydrophobicContact CE-CG 4.08Å; M527-R531 HydrophobicContact SD-CG 4.35Å; M527-A545 HydrophobicContact SD-CB 3.59Å; M527-A545 VanDerWaalsContact SD-CB 3.59Å; M527-E559 WeakPolarHBondContact CA-OE2 3.22Å; M527-E559 WeakPolarHBondContact CB-OE2 3.46Å; M527-W568 HydrophobicContact CG-CD2 3.89Å; M527-W568 HydrophobicContact CG-CE3 4.1Å; M527-W568 HydrophobicContact CG-CH2 4.06Å; M527-W568 HydrophobicContact CG-CZ2 3.84Å; M527-W568 HydrophobicContact CG-CZ3 4.18Å; M527-W568 HydrophobicContact SD-CH2 4.43Å
528	I	98	Very high	97.5	Very high	105 Å²	105	49.8 Å²	49.8	54%	0.538	26%	0.26	S	S	.	.	S	Bend	trans	-63.1	-39.2	171.8	-55	169.5	0	0	0	109.3	E559 W568	I528-E559 WeakPolarHBondContact CB-OE2 3.08Å; I528-E559 PolarHBondContact N-OE2 3.03Å; I528-W568 HydrophobicContact CG1-CB 4.33Å
529	T	97.8	Very high	97.6	Very high	36 Å²	36	46.8 Å²	46.8	22%	0.221	24%	0.241	C	C	.	.	S	Bend	trans	-108.6	146.3	-177.2	-33.4	0	0	0	0	111.7	N509 M527 R531 L555 E559	N509-T529 VanDerWaalsContact CB-O 3.26Å; N509-T529 WeakPolarHBondContact CB-O 3.34Å; M527-T529 VanDerWaalsContact C-N 3.27Å; M527-T529 WeakPolarHBondContact CB-O 3.32Å; T529-R531 PolarHBondContact OG1-NH2 3.38Å; T529-L555 HydrophobicContact CG2-CD1 3.79Å; T529-E559 WeakPolarHBondContact CB-OE1 3.33Å; T529-E559 PolarHBondContact N-OE1 2.84Å; T529-E559 PolarHBondContact OG1-OE1 2.96Å
530	R	98.4	Very high	97.5	Very high	111 Å²	111	50 Å²	50	42%	0.419	26%	0.258	S	S	.	.			trans	-74	134.1	165.6	-67.6	172.8	179.8	-88	-0.1	109	C507 N509 D550	C507-R530 HydrophobicContact CB-CB 4.15Å; C507-R530 WeakPolarHBondContact O-CD 3.43Å; C507-R530 VanDerWaalsContact O-CG 3.27Å; C507-R530 WeakPolarHBondContact O-CG 3.3Å; C507-R530 PolarHBondContact O-NH1 3.43Å; N509-R530 HydrophobicContact CB-CG 3.99Å; R530-D550 WeakPolarHBondContact O-CA 3.39Å
531	R	98.6	Very high	97.4	Very high	2 Å²	2	45.6 Å²	45.6	1%	0.008	25%	0.249	C	C	.	.			trans	-144.2	100.5	-174.9	-51.1	-179.5	178.8	-94.6	-1	112.4	G501 L508 M527 T529 V534 G547 S549 L555 S557 E559	G501-R531 PolarHBondContact N-O 3.32Å; L508-R531 PolarHBondContact O-N 2.87Å; M527-R531 HydrophobicContact CE-CB 4.03Å; M527-R531 HydrophobicContact CE-CG 4.08Å; M527-R531 HydrophobicContact SD-CG 4.35Å; T529-R531 PolarHBondContact OG1-NH2 3.38Å; R531-V534 HydrophobicContact CB-CB 3.77Å; R531-V534 HydrophobicContact CB-CG1 4.42Å; R531-V534 HydrophobicContact CB-CG2 3.94Å; R531-V534 HydrophobicContact CG-CG2 4.46Å; R531-G547 WeakPolarHBondContact CD-O 3.34Å; R531-G547 PolarHBondContact NH1-O 3.36Å; R531-S549 CarbonylContact C-O 3.56Å; R531-S549 WeakPolarHBondContact CA-O 3.18Å; R531-L555 HydrophobicContact CG-CD1 4.04Å; R531-S557 PolarHBondContact NH1-O 3.23Å; R531-S557 PolarHBondContact NH1-OG 3.25Å; R531-S557 PolarHBondContact NH2-OG 3.03Å; R531-E559 IonicContact CZ-OE1 3.73Å; R531-E559 VanDerWaalsContact CZ-OE1 3.22Å; R531-E559 IonicContact NE-OE1 2.74Å; R531-E559 PolarHBondContact NE-OE1 3.04Å; R531-E559 IonicContact NH2-OE1 3.22Å; R531-E559 PolarHBondContact NH2-OE1 2.77Å
532	L	97.8	Very high	97.3	Very high	19 Å²	19	45.5 Å²	45.5	10%	0.099	25%	0.25	C	C	.	.	B	Isolated β-bridge	trans	-85.5	145.9	162	85.6	93.4	0	0	0	109.7	Q502 C507 V534 G548 S549	Q502-L532 HydrophobicContact CB-CB 4.38Å; C507-L532 WeakPolarHBondContact SG-CD2 3.45Å; L532-V534 PolarHBondContact O-N 3.22Å; L532-G548 CarbonylContact O-C 3.45Å; L532-G548 WeakPolarHBondContact O-CA 3.35Å; L532-S549 PolarHBondContact N-O 2.9Å; L532-S549 PolarHBondContact O-N 3.25Å
533	G	98	Very high	97.4	Very high	5 Å²	5	40.2 Å²	40.2	5%	0.052	22%	0.222	C	C	.	.	S	Bend	trans	63.4	32.8	178	0	0	0	0	0	113.1	S486 G548 H580	S486-G533 WeakPolarHBondContact O-CA 3.24Å; S486-G533 PolarHBondContact O-N 2.98Å; G533-G548 WeakPolarHBondContact O-CA 3.39Å; G533-H580 PolarHBondContact O-N 2.99Å
534	V	98.6	Very high	97.5	Very high	11 Å²	11	34.1 Å²	34.1	7%	0.067	20%	0.195	C	C	.	.			trans	-77.5	137.8	-179.1	64.2	0	0	0	0	110.8	V499 R531 L532 A545	V499-V534 WeakPolarHBondContact O-CG1 3.5Å; R531-V534 HydrophobicContact CB-CB 3.77Å; R531-V534 HydrophobicContact CB-CG1 4.42Å; R531-V534 HydrophobicContact CB-CG2 3.94Å; R531-V534 HydrophobicContact CG-CG2 4.46Å; L532-V534 PolarHBondContact O-N 3.22Å; V534-A545 HydrophobicContact CG2-CB 4.1Å
535	G	98.4	Very high	97.6	Very high	5 Å²	5	32.1 Å²	32.1	5%	0.052	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	144.1	167.9	0	0	0	0	0	110.2	V546	G535-V546 PolarHBondContact N-O 3.14Å; G535-V546 VanDerWaalsContact N-O 3.08Å; G535-V546 PolarHBondContact O-N 2.85Å
536	V	98.5	Very high	97.7	Very high	18 Å²	18	30 Å²	30	11%	0.109	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	149.7	-179.4	-68.4	0	0	0	0	112.1	V489 A490 V499 L543 Y544	V489-V536 VanDerWaalsContact O-CG2 3.31Å; V489-V536 WeakPolarHBondContact O-CG2 3.26Å; A490-V536 HydrophobicContact CB-CB 4.31Å; A490-V536 HydrophobicContact CB-CG2 3.88Å; V499-V536 HydrophobicContact CB-CG1 3.95Å; V499-V536 HydrophobicContact CG1-CG1 4.02Å; V499-V536 HydrophobicContact CG2-CG1 4.12Å; V536-L543 HydrophobicContact CB-CD1 4.33Å; V536-Y544 WeakPolarHBondContact CA-O 3.44Å; V536-Y544 WeakPolarHBondContact CB-O 3.49Å
537	A	98	Very high	97.7	Very high	7 Å²	7	27.8 Å²	27.8	6%	0.058	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	157.8	176.6	0	0	0	0	0	110.6	Y544 V583 V585 I590	A537-Y544 PolarHBondContact N-O 2.74Å; A537-Y544 PolarHBondContact O-N 3.29Å; A537-V583 HydrophobicContact CB-CG1 3.83Å; A537-V585 HydrophobicContact CB-CG2 3.97Å; A537-I590 HydrophobicContact CB-CG2 4.05Å
538	V	97.6	Very high	97.7	Very high	47 Å²	47	27.6 Å²	27.6	29%	0.285	15%	0.152	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	120.1	173.9	170.7	0	0	0	0	109.1	A490 L492 Q542 L543 V585	A490-V538 HydrophobicContact CB-CG2 4Å; L492-V538 HydrophobicContact CB-CG1 4.35Å; L492-V538 HydrophobicContact CB-CG2 4.07Å; L492-V538 HydrophobicContact CD1-CG1 3.81Å; V538-Q542 WeakPolarHBondContact CA-O 3.42Å; V538-L543 HydrophobicContact CG2-CB 4.27Å; V538-L543 HydrophobicContact CG2-CD1 3.85Å; V538-V585 WeakPolarHBondContact O-CG2 3.42Å
539	L	96.7	Very high	97.7	Very high	16 Å²	16	22.8 Å²	22.8	8%	0.084	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	140.1	-179	-179.6	55	0	0	0	108.6	G541 Q542 Y544 V585 G588 I590 L610	L539-G541 PolarHBondContact O-N 3.29Å; L539-Q542 PolarHBondContact N-O 2.97Å; L539-Q542 VanDerWaalsContact N-O 3.08Å; L539-Q542 PolarHBondContact O-N 2.79Å; L539-Y544 HydrophobicContact CB-CD2 4.42Å; L539-Y544 HydrophobicContact CB-CE2 4.07Å; L539-V585 HydrophobicContact CB-CG2 4.05Å; L539-V585 HydrophobicContact CD1-CG1 3.96Å; L539-G588 WeakPolarHBondContact CD2-O 3.41Å; L539-I590 HydrophobicContact CB-CD1 4.34Å; L539-I590 HydrophobicContact CB-CG1 4.39Å; L539-I590 HydrophobicContact CD2-CD1 4.11Å; L539-I590 HydrophobicContact CD2-CG1 3.6Å; L539-L610 HydrophobicContact CB-CD1 4.42Å; L539-L610 HydrophobicContact CD2-CD1 3.45Å; L539-L610 VanDerWaalsContact CD2-CD1 3.45Å; L539-L610 HydrophobicContact CD2-CG 3.97Å; L539-L610 HydrophobicContact CG-CD1 3.74Å
540	N	94.2	Very high	97.7	Very high	129 Å²	129	23.1 Å²	23.1	69%	0.69	13%	0.128	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.9	33.6	178.3	-59.7	-10.1	0	0	0	114.7	Q542	N540-Q542 VanDerWaalsContact C-N 3.31Å; N540-Q542 PolarHBondContact O-N 3.48Å
541	G	93.8	Very high	97.5	Very high	35 Å²	35	19.4 Å²	19.4	36%	0.361	13%	0.125	S	C	.	.	T	Hydrogen-bonded Turn	trans	75.6	11.7	-179.4	0	0	0	0	0	115.2	L492 L539 P563	L492-G541 WeakPolarHBondContact CD1-O 3.49Å; L539-G541 PolarHBondContact O-N 3.29Å; G541-P563 VanDerWaalsContact O-CD 3.31Å; G541-P563 WeakPolarHBondContact O-CD 3.08Å; G541-P563 VanDerWaalsContact O-CG 3.3Å; G541-P563 WeakPolarHBondContact O-CG 3.03Å
542	Q	96.7	Very high	97.4	Very high	28 Å²	28	28.2 Å²	28.2	13%	0.131	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	149.4	178.5	-63.2	179.5	-37	0	0	110.7	V538 L539 N540 Y544 H560 F561 D562	V538-Q542 WeakPolarHBondContact CA-O 3.42Å; L539-Q542 PolarHBondContact N-O 2.97Å; L539-Q542 VanDerWaalsContact N-O 3.08Å; L539-Q542 PolarHBondContact O-N 2.79Å; N540-Q542 VanDerWaalsContact C-N 3.31Å; N540-Q542 PolarHBondContact O-N 3.48Å; Q542-Y544 HydrophobicContact CB-CE2 3.86Å; Q542-Y544 PolarHBondContact OE1-OH 3.37Å; Q542-H560 VanDerWaalsContact CD-CD2 3.5Å; Q542-H560 PolarHBondContact OE1-CD2 3.43Å; Q542-F561 WeakPolarHBondContact CA-O 3.36Å; Q542-D562 PolarHBondContact NE2-OD2 3.05Å
543	L	98.2	Very high	97.3	Very high	0 Å²	0	31 Å²	31	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	120.2	179.8	166.3	65	0	0	0	110.2	A490 L492 Y497 V499 V536 V538 H560 F561 W568	A490-L543 HydrophobicContact CB-CD1 3.73Å; L492-L543 HydrophobicContact CD2-CB 3.93Å; Y497-L543 HydrophobicContact CD1-CD2 3.78Å; Y497-L543 HydrophobicContact CD2-CD2 4.46Å; Y497-L543 HydrophobicContact CG-CD2 3.72Å; V499-L543 HydrophobicContact CG2-CD2 3.97Å; V536-L543 HydrophobicContact CB-CD1 4.33Å; V538-L543 HydrophobicContact CG2-CB 4.27Å; V538-L543 HydrophobicContact CG2-CD1 3.85Å; L543-H560 CarbonylContact O-C 3.6Å; L543-H560 VanDerWaalsContact O-CA 3.26Å; L543-H560 WeakPolarHBondContact O-CA 3.4Å; L543-F561 HydrophobicContact CB-CB 4.26Å; L543-F561 PolarHBondContact N-O 3.09Å; L543-F561 VanDerWaalsContact N-O 3.14Å; L543-F561 PolarHBondContact O-N 3.45Å; L543-W568 HydrophobicContact CD2-CH2 4.15Å; L543-W568 HydrophobicContact CD2-CZ2 4.41Å; L543-W568 HydrophobicContact CG-CH2 4.1Å
544	Y	98.5	Very high	97.4	Very high	6 Å²	6	31 Å²	31	2%	0.024	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	135.5	-178.3	-67.6	-99.2	0	0	0	111	V536 A537 L539 Q542 H560 I571 I590 L610	V536-Y544 WeakPolarHBondContact CA-O 3.44Å; V536-Y544 WeakPolarHBondContact CB-O 3.49Å; A537-Y544 PolarHBondContact N-O 2.74Å; A537-Y544 PolarHBondContact O-N 3.29Å; L539-Y544 HydrophobicContact CB-CD2 4.42Å; L539-Y544 HydrophobicContact CB-CE2 4.07Å; Q542-Y544 HydrophobicContact CB-CE2 3.86Å; Q542-Y544 PolarHBondContact OE1-OH 3.37Å; Y544-H560 HydrophobicContact CD1-CB 3.57Å; Y544-H560 HydrophobicContact CD2-CB 4.47Å; Y544-H560 HydrophobicContact CE1-CB 3.52Å; Y544-H560 HydrophobicContact CE2-CB 4.44Å; Y544-H560 HydrophobicContact CG-CB 4.04Å; Y544-I571 HydrophobicContact CE1-CD1 3.96Å; Y544-I590 HydrophobicContact CD1-CD1 3.7Å; Y544-I590 HydrophobicContact CD2-CD1 3.62Å; Y544-I590 HydrophobicContact CE1-CD1 4.12Å; Y544-I590 HydrophobicContact CE2-CD1 4.03Å; Y544-I590 HydrophobicContact CG-CD1 3.46Å; Y544-I590 VanDerWaalsContact CG-CD1 3.46Å; Y544-L610 HydrophobicContact CE1-CD2 3.9Å; Y544-L610 HydrophobicContact CE2-CD1 4.38Å; Y544-L610 VanDerWaalsContact OH-CD1 3.25Å; Y544-L610 WeakPolarHBondContact OH-CD1 3.36Å
545	A	98.7	Very high	97.4	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	116.2	171.4	0	0	0	0	0	109.5	V499 M527 V534 V558 E559 W568	V499-A545 HydrophobicContact CG1-CB 4.15Å; M527-A545 HydrophobicContact SD-CB 3.59Å; M527-A545 VanDerWaalsContact SD-CB 3.59Å; V534-A545 HydrophobicContact CG2-CB 4.1Å; A545-V558 WeakPolarHBondContact O-CA 3.26Å; A545-E559 HydrophobicContact CB-CG 4.16Å; A545-E559 PolarHBondContact N-O 2.84Å; A545-E559 PolarHBondContact O-N 3.25Å; A545-E559 VanDerWaalsContact O-N 3.07Å; A545-W568 HydrophobicContact CB-CH2 4.03Å; A545-W568 HydrophobicContact CB-CZ3 3.69Å
546	V	98.8	Very high	97.4	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	123.2	-165.8	-175.4	0	0	0	0	109.5	G535 G548 V558 M574 L581 V583 A592 W615	G535-V546 PolarHBondContact N-O 3.14Å; G535-V546 VanDerWaalsContact N-O 3.08Å; G535-V546 PolarHBondContact O-N 2.85Å; V546-G548 PolarHBondContact O-N 3Å; V546-V558 HydrophobicContact CG1-CG2 4.15Å; V546-V558 HydrophobicContact CG2-CG1 3.99Å; V546-M574 HydrophobicContact CG1-CE 3.81Å; V546-M574 HydrophobicContact CG1-CG 4.38Å; V546-M574 HydrophobicContact CG1-SD 3.49Å; V546-M574 WeakPolarHBondContact CG1-SD 3.45Å; V546-L581 HydrophobicContact CG1-CD1 4.08Å; V546-V583 HydrophobicContact CB-CG2 4.06Å; V546-V583 HydrophobicContact CG1-CG2 4.2Å; V546-V583 HydrophobicContact CG2-CG1 4.1Å; V546-V583 HydrophobicContact CG2-CG2 4.47Å; V546-A592 HydrophobicContact CG1-CB 4.46Å; V546-W615 HydrophobicContact CG1-CH2 4.17Å; V546-W615 HydrophobicContact CG1-CZ2 4.33Å
547	G	98.6	Very high	97.4	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	19%	0.188	C	C	.	.			trans	60	-135.2	175	0	0	0	0	0	113.7	R531 L555 S557	R531-G547 WeakPolarHBondContact CD-O 3.34Å; R531-G547 PolarHBondContact NH1-O 3.36Å; G547-L555 WeakPolarHBondContact CA-O 3.46Å; G547-S557 PolarHBondContact N-O 2.83Å
548	G	98.5	Very high	97.4	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	19%	0.185	C	C	.	.			trans	88.1	-157.6	-169.3	0	0	0	0	0	112	L532 G533 V546 P554 L555 R578	L532-G548 CarbonylContact O-C 3.45Å; L532-G548 WeakPolarHBondContact O-CA 3.35Å; G533-G548 WeakPolarHBondContact O-CA 3.39Å; V546-G548 PolarHBondContact O-N 3Å; G548-P554 CarbonylContact O-C 3.59Å; G548-P554 WeakPolarHBondContact O-CA 3.47Å; G548-L555 PolarHBondContact O-N 3.18Å; G548-R578 PolarHBondContact N-O 3.04Å
549	S	98.2	Very high	97.4	Very high	4 Å²	4	30 Å²	30	3%	0.028	17%	0.172	C	C	.	.	B	Isolated β-bridge	trans	-140.4	142.9	173.6	176.6	0	0	0	0	111.6	R531 L532 G551 Q553	R531-S549 CarbonylContact C-O 3.56Å; R531-S549 WeakPolarHBondContact CA-O 3.18Å; L532-S549 PolarHBondContact N-O 2.9Å; L532-S549 PolarHBondContact O-N 3.25Å; S549-G551 PolarHBondContact O-N 2.8Å; S549-G551 PolarHBondContact OG-N 3.36Å; S549-Q553 VanDerWaalsContact CA-O 3.24Å; S549-Q553 WeakPolarHBondContact CA-O 3.13Å; S549-Q553 WeakPolarHBondContact CB-O 3.37Å; S549-Q553 VanDerWaalsContact OG-C 3.3Å; S549-Q553 PolarHBondContact OG-O 3.2Å
550	D	97.5	Very high	97.5	Very high	42 Å²	42	30.7 Å²	30.7	23%	0.225	17%	0.174	C	C	.	.			trans	-77.2	-5.5	176.1	55.6	16.1	0	0	0	113.9	R530 Q552 Q553 L555	R530-D550 WeakPolarHBondContact O-CA 3.39Å; D550-Q552 WeakPolarHBondContact OD1-CA 3.29Å; D550-Q552 PolarHBondContact OD1-N 2.88Å; D550-Q553 PolarHBondContact N-O 2.95Å; D550-Q553 WeakPolarHBondContact OD1-CG 3.43Å; D550-Q553 PolarHBondContact OD1-N 3.22Å; D550-Q553 VanDerWaalsContact OD2-CG 3.25Å; D550-Q553 WeakPolarHBondContact OD2-CG 3.16Å; D550-Q553 PolarHBondContact OD2-NE2 3.23Å; D550-L555 HydrophobicContact CB-CD1 4.43Å; D550-L555 HydrophobicContact CB-CD2 4.33Å
551	G	94.6	Very high	97.7	Very high	34 Å²	34	25.1 Å²	25.1	35%	0.351	14%	0.144	S	C	.	.	S	Bend	trans	100.1	-4.4	-172.3	0	0	0	0	0	114.1	C507 S549	C507-G551 WeakPolarHBondContact SG-CA 3.36Å; S549-G551 PolarHBondContact O-N 2.8Å; S549-G551 PolarHBondContact OG-N 3.36Å
552	Q	95.2	Very high	97.7	Very high	186 Å²	186	23.9 Å²	23.9	87%	0.869	13%	0.129	S	C	*	.	S	Bend	trans	-120.3	-43.4	175.3	-59.4	-64.9	-81.1	0	0	111.4	D550	D550-Q552 WeakPolarHBondContact OD1-CA 3.29Å; D550-Q552 PolarHBondContact OD1-N 2.88Å
553	Q	97	Very high	97.4	Very high	79 Å²	79	24.5 Å²	24.5	37%	0.369	14%	0.135	S	C	.	.	S	Bend	trans	-141	155.8	-174.9	56.5	174.8	-17.1	0	0	111.6	S549 D550	S549-Q553 VanDerWaalsContact CA-O 3.24Å; S549-Q553 WeakPolarHBondContact CA-O 3.13Å; S549-Q553 WeakPolarHBondContact CB-O 3.37Å; S549-Q553 VanDerWaalsContact OG-C 3.3Å; S549-Q553 PolarHBondContact OG-O 3.2Å; D550-Q553 PolarHBondContact N-O 2.95Å; D550-Q553 WeakPolarHBondContact OD1-CG 3.43Å; D550-Q553 PolarHBondContact OD1-N 3.22Å; D550-Q553 VanDerWaalsContact OD2-CG 3.25Å; D550-Q553 WeakPolarHBondContact OD2-CG 3.16Å; D550-Q553 PolarHBondContact OD2-NE2 3.23Å
554	P	98.3	Very high	97.1	Very high	5 Å²	5	34.2 Å²	34.2	3%	0.032	17%	0.172	C	C	.	.	B	Isolated β-bridge	trans	-67.7	152.9	164	31	-33.5	0	0	0	110.7	G548 K577 K579 E598	G548-P554 CarbonylContact O-C 3.59Å; G548-P554 WeakPolarHBondContact O-CA 3.47Å; P554-K577 HydrophobicContact CB-CB 4.12Å; P554-K577 HydrophobicContact CG-CB 3.97Å; P554-K577 HydrophobicContact CG-CD 4.35Å; P554-K577 WeakPolarHBondContact O-CD 3.41Å; P554-K579 HydrophobicContact CB-CB 4.22Å; P554-K579 HydrophobicContact CB-CD 4.33Å; P554-K579 HydrophobicContact CB-CG 4.08Å; P554-E598 HydrophobicContact CG-CG 3.62Å
555	L	98.7	Very high	96.9	Very high	12 Å²	12	38.5 Å²	38.5	6%	0.063	20%	0.198	C	C	.	.			trans	-111.3	142	-173.8	-61.4	171.7	0	0	0	111.1	T529 R531 G547 G548 D550 R578	T529-L555 HydrophobicContact CG2-CD1 3.79Å; R531-L555 HydrophobicContact CG-CD1 4.04Å; G547-L555 WeakPolarHBondContact CA-O 3.46Å; G548-L555 PolarHBondContact O-N 3.18Å; D550-L555 HydrophobicContact CB-CD1 4.43Å; D550-L555 HydrophobicContact CB-CD2 4.33Å; L555-R578 PolarHBondContact O-N 2.88Å
556	S	98.3	Very high	96.7	Very high	33 Å²	33	39.9 Å²	39.9	23%	0.231	21%	0.213	C	C	.	.			trans	-100.9	-9.9	162.8	56.9	0	0	0	0	112.6	C573 M574 T576	S556-C573 CarbonylContact O-C 3.45Å; S556-C573 WeakPolarHBondContact O-CA 3.48Å; S556-C573 WeakPolarHBondContact O-CB 3.38Å; S556-M574 WeakPolarHBondContact CB-O 3.33Å; S556-M574 PolarHBondContact O-N 2.83Å; S556-T576 WeakPolarHBondContact CB-O 3.16Å
557	S	98.5	Very high	96.6	Very high	20 Å²	20	42.2 Å²	42.2	14%	0.14	23%	0.227	C	C	.	.			trans	-67.5	149.2	-178.3	68.4	0	0	0	0	112	R531 G547	R531-S557 PolarHBondContact NH1-O 3.23Å; R531-S557 PolarHBondContact NH1-OG 3.25Å; R531-S557 PolarHBondContact NH2-OG 3.03Å; G547-S557 PolarHBondContact N-O 2.83Å
558	V	98.6	Very high	96.6	Very high	0 Å²	0	43 Å²	43	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	139.4	179.5	-172.3	0	0	0	0	108.5	A545 V546 I571 M574 W615	A545-V558 WeakPolarHBondContact O-CA 3.26Å; V546-V558 HydrophobicContact CG1-CG2 4.15Å; V546-V558 HydrophobicContact CG2-CG1 3.99Å; V558-I571 HydrophobicContact CB-CG2 3.98Å; V558-I571 HydrophobicContact CG1-CG2 3.76Å; V558-I571 WeakPolarHBondContact O-CG2 3.5Å; V558-I571 PolarHBondContact O-N 3.16Å; V558-M574 HydrophobicContact CG2-CG 4.24Å; V558-W615 HydrophobicContact CG2-CZ2 3.92Å
559	E	98.4	Very high	96.5	Very high	2 Å²	2	46.8 Å²	46.8	1%	0.009	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	151.4	174.7	57.2	-167.9	113	0	0	110.4	M527 I528 T529 R531 A545 W568 H569	M527-E559 WeakPolarHBondContact CA-OE2 3.22Å; M527-E559 WeakPolarHBondContact CB-OE2 3.46Å; I528-E559 WeakPolarHBondContact CB-OE2 3.08Å; I528-E559 PolarHBondContact N-OE2 3.03Å; T529-E559 WeakPolarHBondContact CB-OE1 3.33Å; T529-E559 PolarHBondContact N-OE1 2.84Å; T529-E559 PolarHBondContact OG1-OE1 2.96Å; R531-E559 IonicContact CZ-OE1 3.73Å; R531-E559 VanDerWaalsContact CZ-OE1 3.22Å; R531-E559 IonicContact NE-OE1 2.74Å; R531-E559 PolarHBondContact NE-OE1 3.04Å; R531-E559 IonicContact NH2-OE1 3.22Å; R531-E559 PolarHBondContact NH2-OE1 2.77Å; A545-E559 HydrophobicContact CB-CG 4.16Å; A545-E559 PolarHBondContact N-O 2.84Å; A545-E559 PolarHBondContact O-N 3.25Å; A545-E559 VanDerWaalsContact O-N 3.07Å; E559-W568 HydrophobicContact CB-CE3 4.21Å; E559-W568 HydrophobicContact CG-CE3 3.8Å; E559-W568 HydrophobicContact CG-CZ3 4.21Å; E559-H569 CarbonylContact C-O 3.43Å; E559-H569 VanDerWaalsContact CA-O 3.29Å; E559-H569 WeakPolarHBondContact CA-O 3.28Å
560	H	97.9	Very high	96.5	Very high	30 Å²	30	52.8 Å²	52.8	14%	0.139	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	142.2	179.8	73.2	-77.1	0	0	0	111.6	Q542 L543 Y544 W568 H569	Q542-H560 VanDerWaalsContact CD-CD2 3.5Å; Q542-H560 PolarHBondContact OE1-CD2 3.43Å; L543-H560 CarbonylContact O-C 3.6Å; L543-H560 VanDerWaalsContact O-CA 3.26Å; L543-H560 WeakPolarHBondContact O-CA 3.4Å; Y544-H560 HydrophobicContact CD1-CB 3.57Å; Y544-H560 HydrophobicContact CD2-CB 4.47Å; Y544-H560 HydrophobicContact CE1-CB 3.52Å; Y544-H560 HydrophobicContact CE2-CB 4.44Å; Y544-H560 HydrophobicContact CG-CB 4.04Å; H560-W568 VanDerWaalsContact C-CE3 3.47Å; H560-W568 CarbonylContact O-C 3.59Å; H560-W568 VanDerWaalsContact O-CA 3.32Å; H560-W568 WeakPolarHBondContact O-CA 3.28Å; H560-H569 PolarHBondContact N-O 2.72Å; H560-H569 PolarHBondContact ND1-O 3.05Å; H560-H569 VanDerWaalsContact ND1-O 3.08Å; H560-H569 PolarHBondContact O-N 3.27Å
561	F	98.2	Very high	96.4	Very high	12 Å²	12	52 Å²	52	5%	0.053	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	124.4	175.6	177.6	-110.1	0	0	0	109.9	Y497 Q542 L543 P563 T567 W568	Y497-F561 HydrophobicContact CE1-CD1 4.37Å; Y497-F561 AromaticContact CE1-CE1 3.93Å; Y497-F561 HydrophobicContact CE1-CE1 3.93Å; Q542-F561 WeakPolarHBondContact CA-O 3.36Å; L543-F561 HydrophobicContact CB-CB 4.26Å; L543-F561 PolarHBondContact N-O 3.09Å; L543-F561 VanDerWaalsContact N-O 3.14Å; L543-F561 PolarHBondContact O-N 3.45Å; F561-P563 HydrophobicContact CD1-CB 4.47Å; F561-P563 HydrophobicContact CE1-CB 3.95Å; F561-T567 WeakPolarHBondContact CA-O 3.31Å; F561-W568 HydrophobicContact CB-CD2 3.75Å; F561-W568 HydrophobicContact CB-CE3 3.86Å; F561-W568 HydrophobicContact CB-CG 4.42Å; F561-W568 HydrophobicContact CB-CH2 3.8Å; F561-W568 HydrophobicContact CB-CZ2 3.68Å; F561-W568 HydrophobicContact CB-CZ3 3.89Å; F561-W568 AromaticContact CD2-CD1 3.97Å; F561-W568 HydrophobicContact CD2-CD2 4.4Å; F561-W568 HydrophobicContact CD2-CG 4.37Å; F561-W568 AromaticContact CD2-NE1 3.75Å; F561-W568 HydrophobicContact CG-CZ2 4.28Å
562	D	94.3	Very high	96.5	Very high	9 Å²	9	52.7 Å²	52.7	5%	0.048	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	111.6	169	-163.1	-55.1	0	0	0	109.9	Q542 R564 V565 G566 T567	Q542-D562 PolarHBondContact NE2-OD2 3.05Å; D562-R564 PolarHBondContact O-N 3.43Å; D562-R564 VanDerWaalsContact O-N 3.16Å; D562-R564 WeakPolarHBondContact OD1-CB 3.46Å; D562-R564 WeakPolarHBondContact OD1-CG 3.41Å; D562-R564 IonicContact OD1-CZ 3.8Å; D562-R564 PolarHBondContact OD1-N 3.09Å; D562-R564 IonicContact OD1-NE 3.58Å; D562-R564 PolarHBondContact OD1-NE 3.15Å; D562-R564 IonicContact OD1-NH2 2.71Å; D562-R564 IonicContact OD2-CZ 2.68Å; D562-R564 IonicContact OD2-NE 3.6Å; D562-R564 PolarHBondContact OD2-NE 3.5Å; D562-R564 IonicContact OD2-NH2 3.44Å; D562-R564 PolarHBondContact OD2-NH2 3.4Å; D562-V565 HydrophobicContact CB-CB 4.45Å; D562-V565 HydrophobicContact CB-CG2 4.27Å; D562-V565 PolarHBondContact O-N 3.16Å; D562-G566 PolarHBondContact O-N 3.21Å; D562-T567 PolarHBondContact N-O 3.36Å; D562-T567 VanDerWaalsContact N-O 3.1Å
563	P	91.4	Very high	96.6	Very high	40 Å²	40	46.6 Å²	46.6	26%	0.26	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-14.5	-177.4	30.6	-37.8	0	0	0	113.3	L492 G541 F561	L492-P563 HydrophobicContact CD2-CB 4.32Å; L492-P563 HydrophobicContact CD2-CG 4.07Å; G541-P563 VanDerWaalsContact O-CD 3.31Å; G541-P563 WeakPolarHBondContact O-CD 3.08Å; G541-P563 VanDerWaalsContact O-CG 3.3Å; G541-P563 WeakPolarHBondContact O-CG 3.03Å; F561-P563 HydrophobicContact CD1-CB 4.47Å; F561-P563 HydrophobicContact CE1-CB 3.95Å
564	R	91.6	Very high	96.7	Very high	204 Å²	204	43.2 Å²	43.2	77%	0.77	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.7	-27.7	179	-50.4	169.1	-69.4	-176.5	-0.4	112	D562	D562-R564 PolarHBondContact O-N 3.43Å; D562-R564 VanDerWaalsContact O-N 3.16Å; D562-R564 WeakPolarHBondContact OD1-CB 3.46Å; D562-R564 WeakPolarHBondContact OD1-CG 3.41Å; D562-R564 IonicContact OD1-CZ 3.8Å; D562-R564 PolarHBondContact OD1-N 3.09Å; D562-R564 IonicContact OD1-NE 3.58Å; D562-R564 PolarHBondContact OD1-NE 3.15Å; D562-R564 IonicContact OD1-NH2 2.71Å; D562-R564 IonicContact OD2-CZ 2.68Å; D562-R564 IonicContact OD2-NE 3.6Å; D562-R564 PolarHBondContact OD2-NE 3.5Å; D562-R564 IonicContact OD2-NH2 3.44Å; D562-R564 PolarHBondContact OD2-NH2 3.4Å
565	V	93.4	Very high	96.7	Very high	96 Å²	96	46.5 Å²	46.5	58%	0.582	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.7	-25.9	180	-166	0	0	0	0	111.3	D562 T567	D562-V565 HydrophobicContact CB-CB 4.45Å; D562-V565 HydrophobicContact CB-CG2 4.27Å; D562-V565 PolarHBondContact O-N 3.16Å; V565-T567 WeakPolarHBondContact CB-OG1 3.33Å; V565-T567 HydrophobicContact CG1-CG2 4.36Å; V565-T567 VanDerWaalsContact CG1-OG1 3.22Å; V565-T567 WeakPolarHBondContact CG1-OG1 3.5Å
566	G	93.9	Very high	96.6	Very high	30 Å²	30	47.7 Å²	47.7	31%	0.309	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	77.4	24.1	-178.1	0	0	0	0	0	113.4	S525 D562	S525-G566 WeakPolarHBondContact CB-O 3.37Å; S525-G566 PolarHBondContact OG-O 3.37Å; D562-G566 PolarHBondContact O-N 3.21Å
567	T	97.1	Very high	96.6	Very high	48 Å²	48	49.3 Å²	49.3	29%	0.294	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	149.4	-172.2	45.2	0	0	0	0	112.9	F561 D562 V565 H569	F561-T567 WeakPolarHBondContact CA-O 3.31Å; D562-T567 PolarHBondContact N-O 3.36Å; D562-T567 VanDerWaalsContact N-O 3.1Å; V565-T567 WeakPolarHBondContact CB-OG1 3.33Å; V565-T567 HydrophobicContact CG1-CG2 4.36Å; V565-T567 VanDerWaalsContact CG1-OG1 3.22Å; V565-T567 WeakPolarHBondContact CG1-OG1 3.5Å; T567-H569 PolarHBondContact OG1-CE1 2.92Å; T567-H569 PolarHBondContact OG1-NE2 3.5Å
568	W	98.3	Very high	96.6	Very high	18 Å²	18	48.4 Å²	48.4	7%	0.068	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	139.5	170.4	-71.6	90.1	0	0	0	110.7	V499 V511 S525 S526 M527 I528 L543 A545 E559 H560 F561	V499-W568 HydrophobicContact CG1-CH2 4.3Å; V511-W568 HydrophobicContact CG1-CZ2 4.45Å; V511-W568 HydrophobicContact CG2-CZ2 3.83Å; S525-W568 PolarHBondContact O-NE1 3.36Å; S526-W568 VanDerWaalsContact C-CD1 3.42Å; M527-W568 HydrophobicContact CG-CD2 3.89Å; M527-W568 HydrophobicContact CG-CE3 4.1Å; M527-W568 HydrophobicContact CG-CH2 4.06Å; M527-W568 HydrophobicContact CG-CZ2 3.84Å; M527-W568 HydrophobicContact CG-CZ3 4.18Å; M527-W568 HydrophobicContact SD-CH2 4.43Å; I528-W568 HydrophobicContact CG1-CB 4.33Å; L543-W568 HydrophobicContact CD2-CH2 4.15Å; L543-W568 HydrophobicContact CD2-CZ2 4.41Å; L543-W568 HydrophobicContact CG-CH2 4.1Å; A545-W568 HydrophobicContact CB-CH2 4.03Å; A545-W568 HydrophobicContact CB-CZ3 3.69Å; E559-W568 HydrophobicContact CB-CE3 4.21Å; E559-W568 HydrophobicContact CG-CE3 3.8Å; E559-W568 HydrophobicContact CG-CZ3 4.21Å; H560-W568 VanDerWaalsContact C-CE3 3.47Å; H560-W568 CarbonylContact O-C 3.59Å; H560-W568 VanDerWaalsContact O-CA 3.32Å; H560-W568 WeakPolarHBondContact O-CA 3.28Å; F561-W568 HydrophobicContact CB-CD2 3.75Å; F561-W568 HydrophobicContact CB-CE3 3.86Å; F561-W568 HydrophobicContact CB-CG 4.42Å; F561-W568 HydrophobicContact CB-CH2 3.8Å; F561-W568 HydrophobicContact CB-CZ2 3.68Å; F561-W568 HydrophobicContact CB-CZ3 3.89Å; F561-W568 AromaticContact CD2-CD1 3.97Å; F561-W568 HydrophobicContact CD2-CD2 4.4Å; F561-W568 HydrophobicContact CD2-CG 4.37Å; F561-W568 AromaticContact CD2-NE1 3.75Å; F561-W568 HydrophobicContact CG-CZ2 4.28Å
569	H	97.6	Very high	96.6	Very high	79 Å²	79	51.1 Å²	51.1	37%	0.366	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	130.6	-179.2	-58.7	-80.4	0	0	0	110.8	E559 H560 T567	E559-H569 CarbonylContact C-O 3.43Å; E559-H569 VanDerWaalsContact CA-O 3.29Å; E559-H569 WeakPolarHBondContact CA-O 3.28Å; H560-H569 PolarHBondContact N-O 2.72Å; H560-H569 PolarHBondContact ND1-O 3.05Å; H560-H569 VanDerWaalsContact ND1-O 3.08Å; H560-H569 PolarHBondContact O-N 3.27Å; T567-H569 PolarHBondContact OG1-CE1 2.92Å; T567-H569 PolarHBondContact OG1-NE2 3.5Å
570	Q	96.8	Very high	96.6	Very high	130 Å²	130	53.5 Å²	53.5	61%	0.607	29%	0.294	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.4	144.3	175.5	-173.4	173.3	-29.1	0	0	111.2
571	I	96.3	Very high	96.7	Very high	24 Å²	24	52.7 Å²	52.7	12%	0.123	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	166.2	-179.6	162.6	171.2	0	0	0	108.4	Y544 V558 C573 L608 L610	Y544-I571 HydrophobicContact CE1-CD1 3.96Å; V558-I571 HydrophobicContact CB-CG2 3.98Å; V558-I571 HydrophobicContact CG1-CG2 3.76Å; V558-I571 WeakPolarHBondContact O-CG2 3.5Å; V558-I571 PolarHBondContact O-N 3.16Å; I571-C573 PolarHBondContact O-N 3.11Å; I571-L608 HydrophobicContact CD1-CD2 3.87Å; I571-L610 HydrophobicContact CD1-CD2 3.84Å
572	S	96.4	Very high	96.7	Very high	50 Å²	50	52.3 Å²	52.3	35%	0.35	29%	0.29	S	S	.	.			trans	-36	123.9	173.2	-50.2	0	0	0	0	112.9	R613 W615	S572-R613 WeakPolarHBondContact CB-O 3.22Å; S572-R613 PolarHBondContact OG-O 3.37Å; S572-W615 PolarHBondContact O-NE1 2.91Å
573	C	98.1	Very high	96.9	Very high	57 Å²	57	52.6 Å²	52.6	39%	0.385	29%	0.292	S	S	.	.			trans	-72.2	150.9	177.8	-57.7	0	0	0	0	111.4	S556 I571 W615	S556-C573 CarbonylContact O-C 3.45Å; S556-C573 WeakPolarHBondContact O-CA 3.48Å; S556-C573 WeakPolarHBondContact O-CB 3.38Å; I571-C573 PolarHBondContact O-N 3.11Å; C573-W615 VanDerWaalsContact C-CD1 3.42Å
574	M	98.4	Very high	97.2	Very high	8 Å²	8	51.2 Å²	51.2	4%	0.039	28%	0.284	C	S	.	.			trans	-58.7	154.1	166	-70.9	-178.4	-60.7	0	0	111.1	V546 S556 V558 T576 R578 L581 A592 E606 W615	V546-M574 HydrophobicContact CG1-CE 3.81Å; V546-M574 HydrophobicContact CG1-CG 4.38Å; V546-M574 HydrophobicContact CG1-SD 3.49Å; V546-M574 WeakPolarHBondContact CG1-SD 3.45Å; S556-M574 WeakPolarHBondContact CB-O 3.33Å; S556-M574 PolarHBondContact O-N 2.83Å; V558-M574 HydrophobicContact CG2-CG 4.24Å; M574-T576 VanDerWaalsContact C-N 3.27Å; M574-T576 WeakPolarHBondContact CB-O 3.3Å; M574-R578 HydrophobicContact CE-CB 4.08Å; M574-R578 HydrophobicContact CE-CG 4.28Å; M574-L581 HydrophobicContact CE-CD1 4.28Å; M574-L581 HydrophobicContact SD-CD1 4.17Å; M574-A592 HydrophobicContact SD-CB 3.67Å; M574-E606 WeakPolarHBondContact CA-OE2 3.06Å; M574-E606 VanDerWaalsContact CB-OE2 3.29Å; M574-E606 WeakPolarHBondContact CB-OE2 3.18Å; M574-E606 HydrophobicContact CG-CG 4.49Å; M574-W615 HydrophobicContact CG-CD2 3.84Å; M574-W615 HydrophobicContact CG-CE3 4.08Å; M574-W615 HydrophobicContact CG-CG 4.48Å; M574-W615 HydrophobicContact CG-CH2 4.01Å; M574-W615 HydrophobicContact CG-CZ2 3.74Å; M574-W615 HydrophobicContact CG-CZ3 4.17Å; M574-W615 HydrophobicContact SD-CH2 4.38Å
575	G	97.6	Very high	97.5	Very high	75 Å²	75	43.7 Å²	43.7	77%	0.773	26%	0.261	S	S	*	.	S	Bend	trans	-68.4	-27.3	169.3	0	0	0	0	0	112.7	E606	G575-E606 PolarHBondContact N-OE2 3.43Å
576	T	97.9	Very high	97.7	Very high	36 Å²	36	39.6 Å²	39.6	22%	0.221	24%	0.235	C	C	.	.	S	Bend	trans	-111	140.6	179.4	-33.6	0	0	0	0	111.7	S556 M574 R578 L602 E606	S556-T576 WeakPolarHBondContact CB-O 3.16Å; M574-T576 VanDerWaalsContact C-N 3.27Å; M574-T576 WeakPolarHBondContact CB-O 3.3Å; T576-R578 HydrophobicContact CG2-CG 4.3Å; T576-R578 PolarHBondContact OG1-NH2 3.29Å; T576-L602 HydrophobicContact CG2-CD1 3.83Å; T576-L602 HydrophobicContact CG2-CD2 4.47Å; T576-E606 VanDerWaalsContact CB-OE1 3.25Å; T576-E606 WeakPolarHBondContact CB-OE1 3.46Å; T576-E606 PolarHBondContact N-OE1 3.22Å; T576-E606 PolarHBondContact OG1-OE1 3.23Å
577	K	98.6	Very high	97.7	Very high	68 Å²	68	42.6 Å²	42.6	30%	0.296	24%	0.244	S	C	.	.			trans	-74	128.1	164.7	-71.8	179.5	171.8	-169.5	0	109.3	P554 D597 E598	P554-K577 HydrophobicContact CB-CB 4.12Å; P554-K577 HydrophobicContact CG-CB 3.97Å; P554-K577 HydrophobicContact CG-CD 4.35Å; P554-K577 WeakPolarHBondContact O-CD 3.41Å; K577-D597 WeakPolarHBondContact O-CA 3.38Å; K577-D597 WeakPolarHBondContact O-CB 3.4Å; K577-E598 WeakPolarHBondContact CD-OE1 3.37Å; K577-E598 WeakPolarHBondContact CE-OE1 3.44Å; K577-E598 IonicContact NZ-OE1 3.91Å; K577-E598 PolarHBondContact NZ-OE1 3.14Å
578	R	98.7	Very high	97.5	Very high	1 Å²	1	42.6 Å²	42.6	0%	0.004	25%	0.253	C	S	.	.			trans	-141.6	121.8	-172.7	-60.5	-179.7	-175.1	-95.9	1.5	112.5	G548 L555 M574 T576 L581 G594 L602 S604 E606	G548-R578 PolarHBondContact N-O 3.04Å; L555-R578 PolarHBondContact O-N 2.88Å; M574-R578 HydrophobicContact CE-CB 4.08Å; M574-R578 HydrophobicContact CE-CG 4.28Å; T576-R578 HydrophobicContact CG2-CG 4.3Å; T576-R578 PolarHBondContact OG1-NH2 3.29Å; R578-L581 HydrophobicContact CB-CB 4.13Å; R578-L581 HydrophobicContact CB-CD1 3.87Å; R578-L581 HydrophobicContact CB-CG 4.39Å; R578-G594 PolarHBondContact NH1-O 2.93Å; R578-L602 HydrophobicContact CG-CD1 3.88Å; R578-S604 PolarHBondContact NH1-O 2.8Å; R578-S604 PolarHBondContact NH1-OG 2.94Å; R578-S604 PolarHBondContact NH2-O 2.57Å; R578-S604 PolarHBondContact NH2-OG 2.61Å; R578-E606 IonicContact CZ-OE1 2.81Å; R578-E606 VanDerWaalsContact CZ-OE1 3.23Å; R578-E606 IonicContact NE-OE1 2.76Å; R578-E606 PolarHBondContact NE-OE1 3.17Å; R578-E606 IonicContact NH2-OE1 3.26Å; R578-E606 PolarHBondContact NH2-OE1 3.18Å
579	K	98.4	Very high	97.5	Very high	56 Å²	56	43.4 Å²	43.4	24%	0.243	26%	0.259	C	S	.	.	B	Isolated β-bridge	trans	-114	151.2	164	64.7	178.6	179.2	-177.5	0	111.6	P554 L581 G595 R596	P554-K579 HydrophobicContact CB-CB 4.22Å; P554-K579 HydrophobicContact CB-CD 4.33Å; P554-K579 HydrophobicContact CB-CG 4.08Å; K579-L581 PolarHBondContact O-N 3.04Å; K579-G595 CarbonylContact O-C 3.6Å; K579-G595 VanDerWaalsContact O-CA 3.27Å; K579-G595 WeakPolarHBondContact O-CA 3.45Å; K579-R596 HydrophobicContact CG-CB 4.37Å; K579-R596 PolarHBondContact N-O 3.26Å; K579-R596 PolarHBondContact O-N 3.2Å
580	H	98.4	Very high	97.5	Very high	53 Å²	53	39.7 Å²	39.7	25%	0.245	24%	0.241	C	C	.	.	S	Bend	trans	55.1	35	-176	-45.1	-75.7	0	0	0	113.4	G533 G627	G533-H580 PolarHBondContact O-N 2.99Å; H580-G627 VanDerWaalsContact O-CA 3.29Å; H580-G627 WeakPolarHBondContact O-CA 3.25Å; H580-G627 PolarHBondContact O-N 3.22Å
581	L	98.7	Very high	97.6	Very high	12 Å²	12	34 Å²	34	6%	0.063	22%	0.215	C	C	.	.			trans	-80.1	159.3	175.4	73.1	170.4	0	0	0	112.2	V546 M574 R578 K579 V583 A592	V546-L581 HydrophobicContact CG1-CD1 4.08Å; M574-L581 HydrophobicContact CE-CD1 4.28Å; M574-L581 HydrophobicContact SD-CD1 4.17Å; R578-L581 HydrophobicContact CB-CB 4.13Å; R578-L581 HydrophobicContact CB-CD1 3.87Å; R578-L581 HydrophobicContact CB-CG 4.39Å; K579-L581 PolarHBondContact O-N 3.04Å; L581-V583 HydrophobicContact CD1-CG2 3.7Å; L581-V583 HydrophobicContact CG-CG2 3.83Å; L581-A592 HydrophobicContact CD1-CB 4.07Å
582	G	98.5	Very high	97.7	Very high	4 Å²	4	32.9 Å²	32.9	4%	0.041	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	140.6	165.2	0	0	0	0	0	110.8	V593 V628	G582-V593 PolarHBondContact N-O 3.28Å; G582-V593 PolarHBondContact O-N 2.91Å; G582-V628 VanDerWaalsContact N-CG1 3.35Å
583	V	98.6	Very high	97.8	Very high	16 Å²	16	30.5 Å²	30.5	10%	0.097	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	136.5	177.1	-179.9	0	0	0	0	109.9	A537 V546 L581 I590 Y591	A537-V583 HydrophobicContact CB-CG1 3.83Å; V546-V583 HydrophobicContact CB-CG2 4.06Å; V546-V583 HydrophobicContact CG1-CG2 4.2Å; V546-V583 HydrophobicContact CG2-CG1 4.1Å; V546-V583 HydrophobicContact CG2-CG2 4.47Å; L581-V583 HydrophobicContact CD1-CG2 3.7Å; L581-V583 HydrophobicContact CG-CG2 3.83Å; V583-I590 HydrophobicContact CG1-CG2 3.66Å; V583-Y591 VanDerWaalsContact CA-O 3.29Å; V583-Y591 WeakPolarHBondContact CA-O 3.38Å
584	A	98.3	Very high	97.8	Very high	11 Å²	11	27.8 Å²	27.8	9%	0.091	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.2	158.6	179.7	0	0	0	0	0	110.5	Y591 L630 L637	A584-Y591 PolarHBondContact N-O 3.42Å; A584-Y591 PolarHBondContact O-N 3.45Å; A584-L630 HydrophobicContact CB-CD2 3.74Å; A584-L630 HydrophobicContact CB-CG 3.91Å; A584-L637 HydrophobicContact CB-CD1 4Å
585	V	97.8	Very high	97.8	Very high	46 Å²	46	27.4 Å²	27.4	28%	0.279	17%	0.172	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	127	168.6	178.8	0	0	0	0	108.9	A537 V538 L539 L589 I590 V632	A537-V585 HydrophobicContact CB-CG2 3.97Å; V538-V585 WeakPolarHBondContact O-CG2 3.42Å; L539-V585 HydrophobicContact CB-CG2 4.05Å; L539-V585 HydrophobicContact CD1-CG1 3.96Å; V585-L589 CarbonylContact C-O 3.43Å; V585-L589 WeakPolarHBondContact CA-O 3.5Å; V585-I590 HydrophobicContact CG2-CG1 4.49Å; V585-V632 VanDerWaalsContact O-CG2 3.3Å; V585-V632 WeakPolarHBondContact O-CG2 3.38Å
586	Y	97.3	Very high	97.8	Very high	10 Å²	10	27.9 Å²	27.9	4%	0.039	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	134.6	174.6	-173.9	-125.5	0	0	0	110.5	G588 L589 Y591 V632 N635 L637 Y655 P657	Y586-G588 PolarHBondContact O-N 2.75Å; Y586-G588 VanDerWaalsContact O-N 3.07Å; Y586-L589 PolarHBondContact N-O 2.91Å; Y586-L589 PolarHBondContact O-N 3.24Å; Y586-Y591 HydrophobicContact CD1-CE2 4.07Å; Y586-Y591 HydrophobicContact CG-CE2 4.41Å; Y586-Y591 WeakPolarHBondContact O-CE2 3.38Å; Y586-V632 HydrophobicContact CD2-CB 4.5Å; Y586-V632 HydrophobicContact CD2-CG1 3.92Å; Y586-V632 HydrophobicContact CD2-CG2 3.68Å; Y586-V632 HydrophobicContact CE2-CG1 4.23Å; Y586-V632 HydrophobicContact CG-CG2 4.13Å; Y586-N635 VanDerWaalsContact CE2-O 3.24Å; Y586-N635 WeakPolarHBondContact CE2-O 3.46Å; Y586-N635 PolarHBondContact OH-O 2.95Å; Y586-L637 HydrophobicContact CD1-CB 3.84Å; Y586-L637 HydrophobicContact CD1-CD2 4.09Å; Y586-L637 HydrophobicContact CD2-CB 4.23Å; Y586-L637 HydrophobicContact CE1-CB 4.09Å; Y586-L637 HydrophobicContact CE2-CB 4.47Å; Y586-L637 HydrophobicContact CG-CB 3.91Å; Y586-L637 HydrophobicContact CG-CD2 4.4Å; Y586-Y655 HydrophobicContact CD1-CD1 4.28Å; Y586-Y655 HydrophobicContact CE1-CD1 4.01Å; Y586-Y655 HydrophobicContact CE1-CE1 4.34Å; Y586-P657 HydrophobicContact CE1-CB 4.43Å; Y586-P657 HydrophobicContact CE1-CG 4.36Å
587	N	93.2	Very high	97.8	Very high	93 Å²	93	27.9 Å²	27.9	50%	0.497	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	46	37.5	-176.1	-63.2	-10.3	0	0	0	114.4	L589	N587-L589 VanDerWaalsContact C-N 3.31Å; N587-L589 PolarHBondContact O-N 3.47Å
588	G	93.7	Very high	97.7	Very high	47 Å²	47	30.4 Å²	30.4	49%	0.485	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	80.2	0.7	-179.8	0	0	0	0	0	116	L539 Y586	L539-G588 WeakPolarHBondContact CD2-O 3.41Å; Y586-G588 PolarHBondContact O-N 2.75Å; Y586-G588 VanDerWaalsContact O-N 3.07Å
589	L	97.3	Very high	97.6	Very high	36 Å²	36	35.8 Å²	35.8	19%	0.188	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	151.9	179.4	-49.7	177.9	0	0	0	110.8	V585 Y586 N587 Y591 C607 L608 D609	V585-L589 CarbonylContact C-O 3.43Å; V585-L589 WeakPolarHBondContact CA-O 3.5Å; Y586-L589 PolarHBondContact N-O 2.91Å; Y586-L589 PolarHBondContact O-N 3.24Å; N587-L589 VanDerWaalsContact C-N 3.31Å; N587-L589 PolarHBondContact O-N 3.47Å; L589-Y591 HydrophobicContact CB-CD2 4.23Å; L589-Y591 HydrophobicContact CB-CE2 3.86Å; L589-Y591 HydrophobicContact CD1-CE2 4.31Å; L589-C607 HydrophobicContact CB-CB 4.44Å; L589-L608 WeakPolarHBondContact CA-O 3.34Å; L589-D609 HydrophobicContact CD2-CB 3.58Å
590	I	98.3	Very high	97.5	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	116.8	170.6	-52.2	-177.3	0	0	0	108.5	A537 L539 Y544 V583 V585 C607 L608 W615	A537-I590 HydrophobicContact CB-CG2 4.05Å; L539-I590 HydrophobicContact CB-CD1 4.34Å; L539-I590 HydrophobicContact CB-CG1 4.39Å; L539-I590 HydrophobicContact CD2-CD1 4.11Å; L539-I590 HydrophobicContact CD2-CG1 3.6Å; Y544-I590 HydrophobicContact CD1-CD1 3.7Å; Y544-I590 HydrophobicContact CD2-CD1 3.62Å; Y544-I590 HydrophobicContact CE1-CD1 4.12Å; Y544-I590 HydrophobicContact CE2-CD1 4.03Å; Y544-I590 HydrophobicContact CG-CD1 3.46Å; Y544-I590 VanDerWaalsContact CG-CD1 3.46Å; V583-I590 HydrophobicContact CG1-CG2 3.66Å; V585-I590 HydrophobicContact CG2-CG1 4.49Å; I590-C607 CarbonylContact O-C 3.56Å; I590-C607 WeakPolarHBondContact O-CA 3.44Å; I590-L608 HydrophobicContact CB-CB 4.34Å; I590-L608 HydrophobicContact CD1-CD2 4.44Å; I590-L608 PolarHBondContact N-O 3.27Å; I590-L608 VanDerWaalsContact N-O 3.13Å; I590-L608 PolarHBondContact O-N 3.01Å; I590-W615 HydrophobicContact CG2-CH2 4.45Å
591	Y	98.6	Very high	97.5	Very high	12 Å²	12	33.4 Å²	33.4	5%	0.047	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	136.6	175.9	-77.4	-109.5	0	0	0	110.6	V583 A584 Y586 L589 V605 C607 V618 L637 Y655	V583-Y591 VanDerWaalsContact CA-O 3.29Å; V583-Y591 WeakPolarHBondContact CA-O 3.38Å; A584-Y591 PolarHBondContact N-O 3.42Å; A584-Y591 PolarHBondContact O-N 3.45Å; Y586-Y591 HydrophobicContact CD1-CE2 4.07Å; Y586-Y591 HydrophobicContact CG-CE2 4.41Å; Y586-Y591 WeakPolarHBondContact O-CE2 3.38Å; L589-Y591 HydrophobicContact CB-CD2 4.23Å; L589-Y591 HydrophobicContact CB-CE2 3.86Å; L589-Y591 HydrophobicContact CD1-CE2 4.31Å; Y591-V605 HydrophobicContact CD1-CG1 4.06Å; Y591-C607 HydrophobicContact CD1-CB 3.84Å; Y591-C607 HydrophobicContact CD2-CB 3.98Å; Y591-C607 HydrophobicContact CE1-CB 3.92Å; Y591-C607 HydrophobicContact CE2-CB 4.05Å; Y591-C607 HydrophobicContact CG-CB 3.88Å; Y591-V618 HydrophobicContact CE1-CG1 4.28Å; Y591-V618 HydrophobicContact CE1-CG2 4.06Å; Y591-L637 HydrophobicContact CD1-CD2 3.76Å; Y591-L637 HydrophobicContact CD2-CD2 4.45Å; Y591-L637 HydrophobicContact CE1-CD2 4.16Å; Y591-L637 HydrophobicContact CG-CD2 3.92Å; Y591-Y655 HydrophobicContact CE1-CD1 4.46Å; Y591-Y655 HydrophobicContact CE1-CE1 4.01Å
592	A	98.7	Very high	97.5	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	115.5	172.7	0	0	0	0	0	109.4	V546 M574 L581 V605 E606 W615	V546-A592 HydrophobicContact CG1-CB 4.46Å; M574-A592 HydrophobicContact SD-CB 3.67Å; L581-A592 HydrophobicContact CD1-CB 4.07Å; A592-V605 WeakPolarHBondContact O-CA 3.28Å; A592-E606 HydrophobicContact CB-CG 4.13Å; A592-E606 PolarHBondContact N-O 3.19Å; A592-E606 PolarHBondContact O-N 2.92Å; A592-E606 VanDerWaalsContact O-N 3.08Å; A592-W615 HydrophobicContact CB-CH2 3.98Å; A592-W615 HydrophobicContact CB-CZ3 3.68Å
593	V	98.6	Very high	97.5	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	126.7	-167.3	173.8	0	0	0	0	110.6	G582 G595 V605 M621 L630 A639 W662	G582-V593 PolarHBondContact N-O 3.28Å; G582-V593 PolarHBondContact O-N 2.91Å; V593-G595 PolarHBondContact O-N 3.09Å; V593-V605 HydrophobicContact CB-CG2 4.45Å; V593-V605 HydrophobicContact CG1-CG2 4.2Å; V593-V605 HydrophobicContact CG2-CB 4.49Å; V593-V605 HydrophobicContact CG2-CG1 3.71Å; V593-V605 HydrophobicContact CG2-CG2 4.06Å; V593-M621 HydrophobicContact CG1-CE 3.45Å; V593-M621 VanDerWaalsContact CG1-CE 3.45Å; V593-M621 HydrophobicContact CG1-CG 4.22Å; V593-M621 HydrophobicContact CG1-SD 3.3Å; V593-M621 WeakPolarHBondContact CG1-SD 3.45Å; V593-L630 HydrophobicContact CB-CD1 4.08Å; V593-L630 HydrophobicContact CB-CD2 3.87Å; V593-L630 HydrophobicContact CG1-CD1 4.21Å; V593-L630 HydrophobicContact CG2-CD1 3.79Å; V593-L630 HydrophobicContact CG2-CD2 3.48Å; V593-L630 VanDerWaalsContact CG2-CD2 3.48Å; V593-L630 HydrophobicContact CG2-CG 4.3Å; V593-A639 HydrophobicContact CG1-CB 4.44Å; V593-W662 HydrophobicContact CG2-CH2 4.32Å; V593-W662 HydrophobicContact CG2-CZ2 4.27Å
594	G	98.5	Very high	97.5	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	20%	0.203	C	C	.	.			trans	59.8	-133.7	173	0	0	0	0	0	113.7	R578 L602 S604	R578-G594 PolarHBondContact NH1-O 2.93Å; G594-L602 VanDerWaalsContact CA-O 3.31Å; G594-L602 WeakPolarHBondContact CA-O 3.29Å; G594-S604 PolarHBondContact N-O 3.01Å; G594-S604 VanDerWaalsContact N-O 3.14Å
595	G	98.4	Very high	97.5	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	20%	0.199	C	C	.	.			trans	88.9	-157.4	-169	0	0	0	0	0	112.5	K579 V593 L602 R625	K579-G595 CarbonylContact O-C 3.6Å; K579-G595 VanDerWaalsContact O-CA 3.27Å; K579-G595 WeakPolarHBondContact O-CA 3.45Å; V593-G595 PolarHBondContact O-N 3.09Å; G595-L602 PolarHBondContact O-N 3.25Å; G595-R625 PolarHBondContact N-O 2.77Å
596	R	98.3	Very high	97.6	Very high	84 Å²	84	33.5 Å²	33.5	32%	0.317	19%	0.188	S	C	.	.	B	Isolated β-bridge	trans	-132.7	140.1	172.1	-165.3	-168.9	169.2	117	-1.6	109.8	K579 V599 T600 E601	K579-R596 HydrophobicContact CG-CB 4.37Å; K579-R596 PolarHBondContact N-O 3.26Å; K579-R596 PolarHBondContact O-N 3.2Å; R596-V599 PolarHBondContact NH2-O 2.64Å; R596-T600 WeakPolarHBondContact CA-O 3.3Å; R596-T600 VanDerWaalsContact CG-O 3.28Å; R596-T600 WeakPolarHBondContact CG-O 3.47Å; R596-E601 VanDerWaalsContact CD-OE1 3.29Å; R596-E601 WeakPolarHBondContact CD-OE1 3.46Å; R596-E601 IonicContact CZ-OE1 2.65Å; R596-E601 IonicContact CZ-OE2 2.75Å; R596-E601 IonicContact NE-OE1 3.53Å; R596-E601 IonicContact NH1-OE1 2.85Å; R596-E601 PolarHBondContact NH1-OE1 3.11Å; R596-E601 IonicContact NH1-OE2 2.68Å; R596-E601 PolarHBondContact NH1-OE2 2.79Å
597	D	97.7	Very high	97.6	Very high	37 Å²	37	33.3 Å²	33.3	20%	0.198	19%	0.188	C	C	.	.			trans	-91.7	-151.3	168.1	65.6	19.1	0	0	0	111	K577 V599 T600 L602	K577-D597 WeakPolarHBondContact O-CA 3.38Å; K577-D597 WeakPolarHBondContact O-CB 3.4Å; D597-V599 VanDerWaalsContact C-N 3.3Å; D597-V599 WeakPolarHBondContact OD1-CA 3.27Å; D597-V599 PolarHBondContact OD1-N 2.98Å; D597-T600 PolarHBondContact N-O 3.47Å; D597-T600 VanDerWaalsContact N-O 3.11Å; D597-T600 PolarHBondContact OD1-N 3.2Å; D597-L602 HydrophobicContact CB-CD1 4.27Å; D597-L602 HydrophobicContact CB-CD2 4.45Å
598	E	96	Very high	97.8	Very high	120 Å²	120	28.9 Å²	28.9	56%	0.561	17%	0.165	S	C	*	.	S	Bend	trans	-74.3	-21.5	177.1	-69.9	172.4	-161.8	0	0	112.7	P554 K577	P554-E598 HydrophobicContact CG-CG 3.62Å; K577-E598 WeakPolarHBondContact CD-OE1 3.37Å; K577-E598 WeakPolarHBondContact CE-OE1 3.44Å; K577-E598 IonicContact NZ-OE1 3.91Å; K577-E598 PolarHBondContact NZ-OE1 3.14Å
599	V	96	Very high	97.9	Very high	115 Å²	115	28.1 Å²	28.1	70%	0.697	15%	0.149	S	C	*	.	S	Bend	trans	-113.8	-48.8	-169.7	-174.5	0	0	0	0	111.6	R596 D597	R596-V599 PolarHBondContact NH2-O 2.64Å; D597-V599 VanDerWaalsContact C-N 3.3Å; D597-V599 WeakPolarHBondContact OD1-CA 3.27Å; D597-V599 PolarHBondContact OD1-N 2.98Å
600	T	97.4	Very high	97.7	Very high	43 Å²	43	27.7 Å²	27.7	26%	0.264	15%	0.147	S	C	.	.	S	Bend	trans	-149.5	154.1	-159.6	-170	0	0	0	0	114.3	R596 D597 L602 R624	R596-T600 WeakPolarHBondContact CA-O 3.3Å; R596-T600 VanDerWaalsContact CG-O 3.28Å; R596-T600 WeakPolarHBondContact CG-O 3.47Å; D597-T600 PolarHBondContact N-O 3.47Å; D597-T600 VanDerWaalsContact N-O 3.11Å; D597-T600 PolarHBondContact OD1-N 3.2Å; T600-L602 HydrophobicContact CG2-CD2 4.46Å; T600-R624 PolarHBondContact OG1-NH1 2.74Å
601	E	98.2	Very high	97.4	Very high	16 Å²	16	37.6 Å²	37.6	8%	0.075	19%	0.185	C	C	.	.	B	Isolated β-bridge	trans	-59.5	135.4	164.4	-73.1	54.4	-134.9	0	0	110.5	R596 R624 F643	R596-E601 VanDerWaalsContact CD-OE1 3.29Å; R596-E601 WeakPolarHBondContact CD-OE1 3.46Å; R596-E601 IonicContact CZ-OE1 2.65Å; R596-E601 IonicContact CZ-OE2 2.75Å; R596-E601 IonicContact NE-OE1 3.53Å; R596-E601 IonicContact NH1-OE1 2.85Å; R596-E601 PolarHBondContact NH1-OE1 3.11Å; R596-E601 IonicContact NH1-OE2 2.68Å; R596-E601 PolarHBondContact NH1-OE2 2.79Å; E601-R624 HydrophobicContact CB-CB 4Å; E601-R624 WeakPolarHBondContact O-CD 3.26Å; E601-R624 WeakPolarHBondContact O-CG 3.15Å; E601-R624 PolarHBondContact O-NH1 2.97Å; E601-F643 HydrophobicContact CG-CD1 4.15Å; E601-F643 WeakPolarHBondContact CG-O 3.47Å
602	L	98.6	Very high	97.1	Very high	12 Å²	12	40.1 Å²	40.1	6%	0.063	20%	0.204	C	C	.	.			trans	-103.6	142	-171.1	-64.2	172.2	0	0	0	112.3	T576 R578 G594 G595 D597 T600 R624 R625	T576-L602 HydrophobicContact CG2-CD1 3.83Å; T576-L602 HydrophobicContact CG2-CD2 4.47Å; R578-L602 HydrophobicContact CG-CD1 3.88Å; G594-L602 VanDerWaalsContact CA-O 3.31Å; G594-L602 WeakPolarHBondContact CA-O 3.29Å; G595-L602 PolarHBondContact O-N 3.25Å; D597-L602 HydrophobicContact CB-CD1 4.27Å; D597-L602 HydrophobicContact CB-CD2 4.45Å; T600-L602 HydrophobicContact CG2-CD2 4.46Å; L602-R624 WeakPolarHBondContact O-CA 3.31Å; L602-R625 PolarHBondContact O-N 3Å
603	S	98.2	Very high	96.8	Very high	28 Å²	28	48.4 Å²	48.4	20%	0.196	24%	0.236	C	C	.	.			trans	-104.8	-12.6	163.2	58.2	0	0	0	0	113	A620 M621 S623	S603-A620 CarbonylContact O-C 3.54Å; S603-A620 WeakPolarHBondContact O-CA 3.3Å; S603-M621 WeakPolarHBondContact CB-O 3.42Å; S603-M621 PolarHBondContact O-N 3.17Å; S603-S623 VanDerWaalsContact CB-O 3.25Å; S603-S623 WeakPolarHBondContact CB-O 3.32Å
604	S	98.5	Very high	96.7	Very high	38 Å²	38	51.7 Å²	51.7	27%	0.266	26%	0.255	S	S	.	.			trans	-64.7	149	-177.7	63	0	0	0	0	112.1	R578 G594	R578-S604 PolarHBondContact NH1-O 2.8Å; R578-S604 PolarHBondContact NH1-OG 2.94Å; R578-S604 PolarHBondContact NH2-O 2.57Å; R578-S604 PolarHBondContact NH2-OG 2.61Å; G594-S604 PolarHBondContact N-O 3.01Å; G594-S604 VanDerWaalsContact N-O 3.14Å
605	V	98.7	Very high	96.7	Very high	3 Å²	3	53.2 Å²	53.2	2%	0.018	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	144.6	177.3	-175.5	0	0	0	0	108.7	Y591 A592 V593 V618 M621 W662	Y591-V605 HydrophobicContact CD1-CG1 4.06Å; A592-V605 WeakPolarHBondContact O-CA 3.28Å; V593-V605 HydrophobicContact CB-CG2 4.45Å; V593-V605 HydrophobicContact CG1-CG2 4.2Å; V593-V605 HydrophobicContact CG2-CB 4.49Å; V593-V605 HydrophobicContact CG2-CG1 3.71Å; V593-V605 HydrophobicContact CG2-CG2 4.06Å; V605-V618 HydrophobicContact CB-CB 4Å; V605-V618 HydrophobicContact CB-CG1 4.39Å; V605-V618 HydrophobicContact CG1-CB 3.86Å; V605-V618 HydrophobicContact CG1-CG1 4.16Å; V605-V618 PolarHBondContact O-N 3.26Å; V605-M621 HydrophobicContact CG2-CG 4.28Å; V605-W662 HydrophobicContact CG2-CZ2 3.94Å
606	E	98.5	Very high	96.6	Very high	9 Å²	9	56.2 Å²	56.2	4%	0.042	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	148.9	169.8	55.8	-165.1	111.7	0	0	109.4	M574 G575 T576 R578 A592 W615 T616	M574-E606 WeakPolarHBondContact CA-OE2 3.06Å; M574-E606 VanDerWaalsContact CB-OE2 3.29Å; M574-E606 WeakPolarHBondContact CB-OE2 3.18Å; M574-E606 HydrophobicContact CG-CG 4.49Å; G575-E606 PolarHBondContact N-OE2 3.43Å; T576-E606 VanDerWaalsContact CB-OE1 3.25Å; T576-E606 WeakPolarHBondContact CB-OE1 3.46Å; T576-E606 PolarHBondContact N-OE1 3.22Å; T576-E606 PolarHBondContact OG1-OE1 3.23Å; R578-E606 IonicContact CZ-OE1 2.81Å; R578-E606 VanDerWaalsContact CZ-OE1 3.23Å; R578-E606 IonicContact NE-OE1 2.76Å; R578-E606 PolarHBondContact NE-OE1 3.17Å; R578-E606 IonicContact NH2-OE1 3.26Å; R578-E606 PolarHBondContact NH2-OE1 3.18Å; A592-E606 HydrophobicContact CB-CG 4.13Å; A592-E606 PolarHBondContact N-O 3.19Å; A592-E606 PolarHBondContact O-N 2.92Å; A592-E606 VanDerWaalsContact O-N 3.08Å; E606-W615 HydrophobicContact CB-CE3 4.14Å; E606-W615 HydrophobicContact CG-CE3 3.78Å; E606-W615 HydrophobicContact CG-CZ3 4.16Å; E606-T616 CarbonylContact C-O 3.53Å; E606-T616 VanDerWaalsContact CA-O 3.31Å; E606-T616 WeakPolarHBondContact CA-O 3.46Å
607	C	98	Very high	96.6	Very high	6 Å²	6	58 Å²	58	4%	0.041	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	155.2	177.8	67.6	0	0	0	0	111.8	L589 I590 Y591 W615 T616 V618	L589-C607 HydrophobicContact CB-CB 4.44Å; I590-C607 CarbonylContact O-C 3.56Å; I590-C607 WeakPolarHBondContact O-CA 3.44Å; Y591-C607 HydrophobicContact CD1-CB 3.84Å; Y591-C607 HydrophobicContact CD2-CB 3.98Å; Y591-C607 HydrophobicContact CE1-CB 3.92Å; Y591-C607 HydrophobicContact CE2-CB 4.05Å; Y591-C607 HydrophobicContact CG-CB 3.88Å; C607-W615 CarbonylContact O-C 3.55Å; C607-W615 VanDerWaalsContact O-CA 3.3Å; C607-W615 WeakPolarHBondContact O-CA 3.36Å; C607-T616 PolarHBondContact N-O 2.78Å; C607-T616 PolarHBondContact O-N 3.4Å; C607-T616 PolarHBondContact O-OG1 3.03Å; C607-T616 PolarHBondContact SG-OG1 3.39Å; C607-T616 VanDerWaalsContact SG-OG1 3.38Å; C607-V618 HydrophobicContact CB-CG2 4.06Å; C607-V618 WeakPolarHBondContact SG-CG2 3.25Å
608	L	98.2	Very high	96.6	Very high	1 Å²	1	57.4 Å²	57.4	1%	0.005	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	119.5	-176.4	171.1	62.9	0	0	0	110.4	I571 L589 I590 L610 W615	I571-L608 HydrophobicContact CD1-CD2 3.87Å; L589-L608 WeakPolarHBondContact CA-O 3.34Å; I590-L608 HydrophobicContact CB-CB 4.34Å; I590-L608 HydrophobicContact CD1-CD2 4.44Å; I590-L608 PolarHBondContact N-O 3.27Å; I590-L608 VanDerWaalsContact N-O 3.13Å; I590-L608 PolarHBondContact O-N 3.01Å; L608-L610 HydrophobicContact CD2-CD2 3.87Å; L608-L610 HydrophobicContact CG-CD2 4.08Å; L608-W615 HydrophobicContact CB-CD2 3.77Å; L608-W615 HydrophobicContact CB-CE3 3.82Å; L608-W615 HydrophobicContact CB-CG 4.44Å; L608-W615 HydrophobicContact CB-CH2 3.85Å; L608-W615 HydrophobicContact CB-CZ2 3.79Å; L608-W615 HydrophobicContact CB-CZ3 3.86Å; L608-W615 HydrophobicContact CD1-CG 4.45Å; L608-W615 HydrophobicContact CD2-CH2 4.39Å; L608-W615 HydrophobicContact CD2-CZ2 3.71Å; L608-W615 HydrophobicContact CG-CZ2 4.32Å
609	D	95.3	Very high	96.6	Very high	30 Å²	30	53.9 Å²	53.9	16%	0.16	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	122.3	162.2	-169.8	-27.9	0	0	0	109	L589 R611 S612 R613 T614	L589-D609 HydrophobicContact CD2-CB 3.58Å; D609-R611 VanDerWaalsContact C-N 3.26Å; D609-R611 PolarHBondContact O-N 3.03Å; D609-R611 WeakPolarHBondContact OD1-CB 3.3Å; D609-R611 WeakPolarHBondContact OD1-CG 3.49Å; D609-R611 PolarHBondContact OD1-N 3.31Å; D609-R611 IonicContact OD1-NE 3.58Å; D609-R611 PolarHBondContact OD1-NE 2.91Å; D609-R611 VanDerWaalsContact OD1-NE 3.13Å; D609-R611 IonicContact OD2-CZ 3.35Å; D609-R611 IonicContact OD2-NE 3.68Å; D609-R611 PolarHBondContact OD2-NE 3.39Å; D609-R611 VanDerWaalsContact OD2-NE 3.1Å; D609-R611 IonicContact OD2-NH2 3.44Å; D609-R611 PolarHBondContact OD2-NH2 3.42Å; D609-S612 PolarHBondContact O-OG 3.37Å; D609-R613 WeakPolarHBondContact O-CA 3.36Å; D609-R613 PolarHBondContact O-N 3.41Å; D609-T614 PolarHBondContact N-O 2.8Å
610	L	92.7	Very high	96.7	Very high	28 Å²	28	50.7 Å²	50.7	15%	0.147	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.7	-16.8	179.5	-66	-178.5	0	0	0	113.6	L539 Y544 I571 L608 R613	L539-L610 HydrophobicContact CB-CD1 4.42Å; L539-L610 HydrophobicContact CD2-CD1 3.45Å; L539-L610 VanDerWaalsContact CD2-CD1 3.45Å; L539-L610 HydrophobicContact CD2-CG 3.97Å; L539-L610 HydrophobicContact CG-CD1 3.74Å; Y544-L610 HydrophobicContact CE1-CD2 3.9Å; Y544-L610 HydrophobicContact CE2-CD1 4.38Å; Y544-L610 VanDerWaalsContact OH-CD1 3.25Å; Y544-L610 WeakPolarHBondContact OH-CD1 3.36Å; I571-L610 HydrophobicContact CD1-CD2 3.84Å; L608-L610 HydrophobicContact CD2-CD2 3.87Å; L608-L610 HydrophobicContact CG-CD2 4.08Å; L610-R613 VanDerWaalsContact O-CG 3.28Å; L610-R613 WeakPolarHBondContact O-CG 3.33Å
611	R	92	Very high	96.8	Very high	207 Å²	207	49 Å²	49	78%	0.781	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.4	-49.5	179	-57.2	173.6	-64.4	174.3	3.5	110.9	D609	D609-R611 VanDerWaalsContact C-N 3.26Å; D609-R611 PolarHBondContact O-N 3.03Å; D609-R611 WeakPolarHBondContact OD1-CB 3.3Å; D609-R611 WeakPolarHBondContact OD1-CG 3.49Å; D609-R611 PolarHBondContact OD1-N 3.31Å; D609-R611 IonicContact OD1-NE 3.58Å; D609-R611 PolarHBondContact OD1-NE 2.91Å; D609-R611 VanDerWaalsContact OD1-NE 3.13Å; D609-R611 IonicContact OD2-CZ 3.35Å; D609-R611 IonicContact OD2-NE 3.68Å; D609-R611 PolarHBondContact OD2-NE 3.39Å; D609-R611 VanDerWaalsContact OD2-NE 3.1Å; D609-R611 IonicContact OD2-NH2 3.44Å; D609-R611 PolarHBondContact OD2-NH2 3.42Å
612	S	93.1	Very high	96.7	Very high	66 Å²	66	52.4 Å²	52.4	46%	0.462	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.6	-22	172.1	62.3	0	0	0	0	112.9	D609 T614	D609-S612 PolarHBondContact O-OG 3.37Å; S612-T614 PolarHBondContact O-N 3.48Å; S612-T614 PolarHBondContact OG-N 3.48Å; S612-T614 PolarHBondContact OG-OG1 3.47Å
613	R	91.8	Very high	96.5	Very high	174 Å²	174	53.3 Å²	53.3	66%	0.657	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.1	28.5	-172.2	-53.7	178.8	178.6	-176.8	-1	113.3	S572 D609 L610	S572-R613 WeakPolarHBondContact CB-O 3.22Å; S572-R613 PolarHBondContact OG-O 3.37Å; D609-R613 WeakPolarHBondContact O-CA 3.36Å; D609-R613 PolarHBondContact O-N 3.41Å; L610-R613 VanDerWaalsContact O-CG 3.28Å; L610-R613 WeakPolarHBondContact O-CG 3.33Å
614	T	96.1	Very high	96.5	Very high	68 Å²	68	57.2 Å²	57.2	42%	0.417	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	136.1	-179.3	56	0	0	0	0	111.6	D609 S612	D609-T614 PolarHBondContact N-O 2.8Å; S612-T614 PolarHBondContact O-N 3.48Å; S612-T614 PolarHBondContact OG-N 3.48Å; S612-T614 PolarHBondContact OG-OG1 3.47Å
615	W	98.2	Very high	96.5	Very high	32 Å²	32	55.4 Å²	55.4	12%	0.121	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	131.9	161	-72.5	92.7	0	0	0	109.9	V546 V558 S572 C573 M574 I590 A592 E606 C607 L608	V546-W615 HydrophobicContact CG1-CH2 4.17Å; V546-W615 HydrophobicContact CG1-CZ2 4.33Å; V558-W615 HydrophobicContact CG2-CZ2 3.92Å; S572-W615 PolarHBondContact O-NE1 2.91Å; C573-W615 VanDerWaalsContact C-CD1 3.42Å; M574-W615 HydrophobicContact CG-CD2 3.84Å; M574-W615 HydrophobicContact CG-CE3 4.08Å; M574-W615 HydrophobicContact CG-CG 4.48Å; M574-W615 HydrophobicContact CG-CH2 4.01Å; M574-W615 HydrophobicContact CG-CZ2 3.74Å; M574-W615 HydrophobicContact CG-CZ3 4.17Å; M574-W615 HydrophobicContact SD-CH2 4.38Å; I590-W615 HydrophobicContact CG2-CH2 4.45Å; A592-W615 HydrophobicContact CB-CH2 3.98Å; A592-W615 HydrophobicContact CB-CZ3 3.68Å; E606-W615 HydrophobicContact CB-CE3 4.14Å; E606-W615 HydrophobicContact CG-CE3 3.78Å; E606-W615 HydrophobicContact CG-CZ3 4.16Å; C607-W615 CarbonylContact O-C 3.55Å; C607-W615 VanDerWaalsContact O-CA 3.3Å; C607-W615 WeakPolarHBondContact O-CA 3.36Å; L608-W615 HydrophobicContact CB-CD2 3.77Å; L608-W615 HydrophobicContact CB-CE3 3.82Å; L608-W615 HydrophobicContact CB-CG 4.44Å; L608-W615 HydrophobicContact CB-CH2 3.85Å; L608-W615 HydrophobicContact CB-CZ2 3.79Å; L608-W615 HydrophobicContact CB-CZ3 3.86Å; L608-W615 HydrophobicContact CD1-CG 4.45Å; L608-W615 HydrophobicContact CD2-CH2 4.39Å; L608-W615 HydrophobicContact CD2-CZ2 3.71Å; L608-W615 HydrophobicContact CG-CZ2 4.32Å
616	T	97.6	Very high	96.5	Very high	64 Å²	64	55.7 Å²	55.7	39%	0.393	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	133.6	177.6	44.5	0	0	0	0	110.5	E606 C607	E606-T616 CarbonylContact C-O 3.53Å; E606-T616 VanDerWaalsContact CA-O 3.31Å; E606-T616 WeakPolarHBondContact CA-O 3.46Å; C607-T616 PolarHBondContact N-O 2.78Å; C607-T616 PolarHBondContact O-N 3.4Å; C607-T616 PolarHBondContact O-OG1 3.03Å; C607-T616 PolarHBondContact SG-OG1 3.39Å; C607-T616 VanDerWaalsContact SG-OG1 3.38Å
617	P	97.5	Very high	96.5	Very high	120 Å²	120	55.7 Å²	55.7	78%	0.779	29%	0.293	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-60.4	143.3	173.1	-22.8	33.8	0	0	0	112.1
618	V	97.3	Very high	96.5	Very high	25 Å²	25	55.8 Å²	55.8	15%	0.152	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	161.1	172.5	175.3	0	0	0	0	107.8	Y591 V605 C607 A620 Y655	Y591-V618 HydrophobicContact CE1-CG1 4.28Å; Y591-V618 HydrophobicContact CE1-CG2 4.06Å; V605-V618 HydrophobicContact CB-CB 4Å; V605-V618 HydrophobicContact CB-CG1 4.39Å; V605-V618 HydrophobicContact CG1-CB 3.86Å; V605-V618 HydrophobicContact CG1-CG1 4.16Å; V605-V618 PolarHBondContact O-N 3.26Å; C607-V618 HydrophobicContact CB-CG2 4.06Å; C607-V618 WeakPolarHBondContact SG-CG2 3.25Å; V618-A620 PolarHBondContact O-N 3.38Å; V618-Y655 HydrophobicContact CG1-CE2 3.95Å
619	V	97.8	Very high	96.4	Very high	47 Å²	47	56.2 Å²	56.2	29%	0.285	30%	0.298	S	S	.	.	P	Polyproline II helix	trans	-48.5	135.2	174.4	66.9	0	0	0	0	111.7	Y655 N660 W662	V619-Y655 HydrophobicContact CG1-CD2 4.12Å; V619-Y655 HydrophobicContact CG1-CE2 3.64Å; V619-N660 WeakPolarHBondContact CB-O 3.23Å; V619-N660 WeakPolarHBondContact CB-OD1 3.19Å; V619-N660 WeakPolarHBondContact CG1-O 3.43Å; V619-N660 WeakPolarHBondContact CG1-OD1 3.32Å; V619-W662 PolarHBondContact O-NE1 3.22Å
620	A	98.1	Very high	96.6	Very high	47 Å²	47	55.4 Å²	55.4	39%	0.388	29%	0.293	S	S	.	.	P	Polyproline II helix	trans	-70.2	148.9	177.8	0	0	0	0	0	111.3	S603 V618 W662	S603-A620 CarbonylContact O-C 3.54Å; S603-A620 WeakPolarHBondContact O-CA 3.3Å; V618-A620 PolarHBondContact O-N 3.38Å; A620-W662 VanDerWaalsContact O-CD1 3.29Å
621	M	98.2	Very high	96.8	Very high	7 Å²	7	54.5 Å²	54.5	3%	0.034	29%	0.29	C	S	.	.	P	Polyproline II helix	trans	-60.3	155.5	167.1	-67	-179.7	-64.1	0	0	111	V593 S603 V605 S623 R625 A639 W662	V593-M621 HydrophobicContact CG1-CE 3.45Å; V593-M621 VanDerWaalsContact CG1-CE 3.45Å; V593-M621 HydrophobicContact CG1-CG 4.22Å; V593-M621 HydrophobicContact CG1-SD 3.3Å; V593-M621 WeakPolarHBondContact CG1-SD 3.45Å; S603-M621 WeakPolarHBondContact CB-O 3.42Å; S603-M621 PolarHBondContact O-N 3.17Å; V605-M621 HydrophobicContact CG2-CG 4.28Å; M621-S623 WeakPolarHBondContact CB-O 3.49Å; M621-S623 PolarHBondContact O-N 3.45Å; M621-R625 HydrophobicContact CE-CB 3.95Å; M621-R625 HydrophobicContact CE-CG 3.86Å; M621-R625 HydrophobicContact SD-CG 4.17Å; M621-A639 HydrophobicContact SD-CB 3.73Å; M621-W662 HydrophobicContact CG-CD2 3.85Å; M621-W662 HydrophobicContact CG-CE3 4.29Å; M621-W662 HydrophobicContact CG-CG 4.16Å; M621-W662 HydrophobicContact CG-CZ2 4.16Å
622	T	96.1	Very high	96.9	Very high	89 Å²	89	46.3 Å²	46.3	55%	0.546	26%	0.263	S	S	.	.	S	Bend	trans	-65.7	-29	173.1	65.7	0	0	0	0	112.1	E653	T622-E653 WeakPolarHBondContact CB-OE2 3.31Å; T622-E653 PolarHBondContact N-OE2 3.04Å; T622-E653 PolarHBondContact OG1-OE1 3.32Å; T622-E653 PolarHBondContact OG1-OE2 3.07Å
623	S	95.2	Very high	96.7	Very high	30 Å²	30	43.2 Å²	43.2	21%	0.21	24%	0.241	C	C	.	.	S	Bend	trans	-112.6	147	178.3	-53.7	0	0	0	0	111.9	S603 M621 E653	S603-S623 VanDerWaalsContact CB-O 3.25Å; S603-S623 WeakPolarHBondContact CB-O 3.32Å; M621-S623 WeakPolarHBondContact CB-O 3.49Å; M621-S623 PolarHBondContact O-N 3.45Å; S623-E653 WeakPolarHBondContact CB-OE1 3.43Å; S623-E653 PolarHBondContact N-OE1 3.15Å; S623-E653 PolarHBondContact OG-OE1 3.33Å
624	R	98.1	Very high	96.2	Very high	110 Å²	110	37.4 Å²	37.4	42%	0.415	22%	0.223	S	C	.	.			trans	-71.2	138.5	162	-68.9	171.6	-179.3	-91.4	-0	108.6	T600 E601 L602 D644	T600-R624 PolarHBondContact OG1-NH1 2.74Å; E601-R624 HydrophobicContact CB-CB 4Å; E601-R624 WeakPolarHBondContact O-CD 3.26Å; E601-R624 WeakPolarHBondContact O-CG 3.15Å; E601-R624 PolarHBondContact O-NH1 2.97Å; L602-R624 WeakPolarHBondContact O-CA 3.31Å; R624-D644 HydrophobicContact CB-CB 4.27Å; R624-D644 VanDerWaalsContact O-CA 3.24Å; R624-D644 WeakPolarHBondContact O-CA 3.35Å; R624-D644 VanDerWaalsContact O-CB 3.29Å; R624-D644 WeakPolarHBondContact O-CB 3.39Å
625	R	98.4	Very high	95.7	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	23%	0.23	C	C	.	.			trans	-146.2	100.1	-177.3	-48.8	-173.6	172.1	-106.4	-0.5	112.7	G595 L602 M621 V628 G641 F643 L649 S651 E653	G595-R625 PolarHBondContact N-O 2.77Å; L602-R625 PolarHBondContact O-N 3Å; M621-R625 HydrophobicContact CE-CB 3.95Å; M621-R625 HydrophobicContact CE-CG 3.86Å; M621-R625 HydrophobicContact SD-CG 4.17Å; R625-V628 HydrophobicContact CB-CB 3.71Å; R625-V628 HydrophobicContact CB-CG1 4.31Å; R625-V628 HydrophobicContact CB-CG2 3.81Å; R625-V628 HydrophobicContact CG-CG2 4.36Å; R625-G641 PolarHBondContact NH1-O 2.98Å; R625-F643 WeakPolarHBondContact CA-O 3.48Å; R625-L649 HydrophobicContact CB-CD1 4.46Å; R625-L649 HydrophobicContact CG-CD1 3.78Å; R625-S651 PolarHBondContact NH1-O 3.05Å; R625-S651 PolarHBondContact NH2-O 2.88Å; R625-S651 PolarHBondContact NH2-OG 3.03Å; R625-E653 IonicContact CZ-OE1 2.63Å; R625-E653 IonicContact NE-OE1 2.74Å; R625-E653 PolarHBondContact NE-OE1 3.47Å; R625-E653 IonicContact NH2-OE1 3.31Å; R625-E653 PolarHBondContact NH2-OE1 2.69Å
626	S	98.2	Very high	95.3	Very high	9 Å²	9	41.3 Å²	41.3	6%	0.063	24%	0.241	C	C	.	.	B	Isolated β-bridge	trans	-90.7	147	162.1	-180	0	0	0	0	110.9	V628 G642 F643 L673	S626-V628 VanDerWaalsContact C-N 3.3Å; S626-V628 PolarHBondContact O-N 3.49Å; S626-G642 CarbonylContact O-C 3.58Å; S626-G642 WeakPolarHBondContact O-CA 3.47Å; S626-F643 PolarHBondContact N-O 2.89Å; S626-F643 PolarHBondContact O-N 3.3Å; S626-L673 WeakPolarHBondContact O-CD1 3.43Å
627	G	97.8	Very high	95.3	Very high	9 Å²	9	38.2 Å²	38.2	9%	0.093	22%	0.222	C	C	.	.	S	Bend	trans	58.1	42.4	-173.3	0	0	0	0	0	112.6	H580 G642 G674	H580-G627 VanDerWaalsContact O-CA 3.29Å; H580-G627 WeakPolarHBondContact O-CA 3.25Å; H580-G627 PolarHBondContact O-N 3.22Å; G627-G642 WeakPolarHBondContact O-CA 3.41Å; G627-G674 PolarHBondContact O-N 3.37Å
628	V	98.2	Very high	95.1	Very high	9 Å²	9	32.6 Å²	32.6	6%	0.055	19%	0.186	C	C	.	.			trans	-87	135.7	-177.5	63.5	0	0	0	0	111	G582 R625 S626 A639 I640	G582-V628 VanDerWaalsContact N-CG1 3.35Å; R625-V628 HydrophobicContact CB-CB 3.71Å; R625-V628 HydrophobicContact CB-CG1 4.31Å; R625-V628 HydrophobicContact CB-CG2 3.81Å; R625-V628 HydrophobicContact CG-CG2 4.36Å; S626-V628 VanDerWaalsContact C-N 3.3Å; S626-V628 PolarHBondContact O-N 3.49Å; V628-A639 HydrophobicContact CG2-CB 4.2Å; V628-I640 WeakPolarHBondContact CG2-O 3.45Å
629	G	97.6	Very high	95.2	Very high	9 Å²	9	31.4 Å²	31.4	9%	0.093	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	134.7	166.9	0	0	0	0	0	109.8	A639 I640	G629-A639 CarbonylContact O-C 3.6Å; G629-A639 WeakPolarHBondContact O-CA 3.37Å; G629-I640 PolarHBondContact N-O 3.11Å; G629-I640 PolarHBondContact O-N 2.84Å
630	L	98.2	Very high	95.1	Very high	13 Å²	13	29.4 Å²	29.4	7%	0.068	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	130.4	174.9	-169.6	75.2	0	0	0	109.1	A584 V593 L637 I638 A639 W662	A584-L630 HydrophobicContact CB-CD2 3.74Å; A584-L630 HydrophobicContact CB-CG 3.91Å; V593-L630 HydrophobicContact CB-CD1 4.08Å; V593-L630 HydrophobicContact CB-CD2 3.87Å; V593-L630 HydrophobicContact CG1-CD1 4.21Å; V593-L630 HydrophobicContact CG2-CD1 3.79Å; V593-L630 HydrophobicContact CG2-CD2 3.48Å; V593-L630 VanDerWaalsContact CG2-CD2 3.48Å; V593-L630 HydrophobicContact CG2-CG 4.3Å; L630-L637 HydrophobicContact CD1-CD1 3.86Å; L630-L637 HydrophobicContact CD1-CG 4.21Å; L630-L637 HydrophobicContact CD2-CD1 4.1Å; L630-L637 HydrophobicContact CG-CD1 3.84Å; L630-I638 WeakPolarHBondContact CA-O 3.12Å; L630-A639 HydrophobicContact CD1-CB 3.99Å; L630-W662 HydrophobicContact CD1-CH2 4.31Å
631	A	96.3	Very high	95	Very high	9 Å²	9	27.2 Å²	27.2	7%	0.074	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147	162	179.8	0	0	0	0	0	110.9	L401 I638 V677 V679	L401-A631 HydrophobicContact CD1-CB 3.57Å; L401-A631 HydrophobicContact CD2-CB 4.26Å; A631-I638 PolarHBondContact N-O 3.38Å; A631-I638 VanDerWaalsContact N-O 3.09Å; A631-I638 PolarHBondContact O-N 3.35Å; A631-V677 HydrophobicContact CB-CG2 4.14Å; A631-V679 HydrophobicContact CB-CG2 3.99Å
632	V	94.3	Very high	95	Very high	36 Å²	36	26.9 Å²	26.9	22%	0.218	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	129	165.9	177	0	0	0	0	108.2	V585 Y586 Q636 L637	V585-V632 VanDerWaalsContact O-CG2 3.3Å; V585-V632 WeakPolarHBondContact O-CG2 3.38Å; Y586-V632 HydrophobicContact CD2-CB 4.5Å; Y586-V632 HydrophobicContact CD2-CG1 3.92Å; Y586-V632 HydrophobicContact CD2-CG2 3.68Å; Y586-V632 HydrophobicContact CE2-CG1 4.23Å; Y586-V632 HydrophobicContact CG-CG2 4.13Å; V632-Q636 VanDerWaalsContact CA-O 3.29Å; V632-Q636 WeakPolarHBondContact CA-O 3.44Å; V632-L637 HydrophobicContact CG2-CB 4.33Å; V632-L637 HydrophobicContact CG2-CD1 3.75Å
633	V	88.8	Confident	95.1	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	129.3	178.3	68.5	0	0	0	0	108.9	E399 L401 N635 Q636 I638 V679	E399-V633 HydrophobicContact CB-CG2 3.52Å; E399-V633 WeakPolarHBondContact O-CG2 3.36Å; E399-V633 WeakPolarHBondContact OE2-CA 3.42Å; L401-V633 HydrophobicContact CB-CB 4.05Å; L401-V633 HydrophobicContact CB-CG1 4.17Å; L401-V633 HydrophobicContact CB-CG2 3.89Å; L401-V633 HydrophobicContact CD2-CB 4.14Å; L401-V633 HydrophobicContact CD2-CG1 3.69Å; V633-N635 PolarHBondContact O-N 3.28Å; V633-N635 VanDerWaalsContact O-N 3.15Å; V633-Q636 PolarHBondContact N-O 2.93Å; V633-Q636 PolarHBondContact O-N 3.35Å; V633-I638 HydrophobicContact CG1-CD1 3.34Å; V633-I638 HydrophobicContact CG1-CG1 3.94Å; V633-V679 HydrophobicContact CB-CG2 4.44Å; V633-V679 HydrophobicContact CG2-CG1 4.2Å
634	N	82.3	Confident	95.2	Very high	52 Å²	52	25.6 Å²	25.6	28%	0.278	13%	0.132	S	C	.	.	T	Hydrogen-bonded Turn	trans	47.3	44.1	-177.8	-58.4	-47.2	0	0	0	112.6	E399 S421 Q636	E399-N634 WeakPolarHBondContact CB-OD1 3.43Å; E399-N634 PolarHBondContact N-ND2 3.05Å; E399-N634 PolarHBondContact N-OD1 2.77Å; E399-N634 PolarHBondContact O-ND2 2.83Å; E399-N634 PolarHBondContact OE2-N 3.39Å; S421-N634 PolarHBondContact OG-ND2 2.91Å; N634-Q636 VanDerWaalsContact C-N 3.29Å; N634-Q636 PolarHBondContact O-N 2.69Å
635	N	86.4	Confident	95	Very high	105 Å²	105	22.3 Å²	22.3	56%	0.561	13%	0.133	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.4	23.9	-175.2	-156	54.3	0	0	0	116.6	Y586 V633	Y586-N635 VanDerWaalsContact CE2-O 3.24Å; Y586-N635 WeakPolarHBondContact CE2-O 3.46Å; Y586-N635 PolarHBondContact OH-O 2.95Å; V633-N635 PolarHBondContact O-N 3.28Å; V633-N635 VanDerWaalsContact O-N 3.15Å
636	Q	90	Very high	94.9	Very high	77 Å²	77	26.4 Å²	26.4	36%	0.36	17%	0.166	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	130.9	171.1	-56.4	-171.5	-49.9	0	0	110.3	V632 V633 N634 I638 L654	V632-Q636 VanDerWaalsContact CA-O 3.29Å; V632-Q636 WeakPolarHBondContact CA-O 3.44Å; V633-Q636 PolarHBondContact N-O 2.93Å; V633-Q636 PolarHBondContact O-N 3.35Å; N634-Q636 VanDerWaalsContact C-N 3.29Å; N634-Q636 PolarHBondContact O-N 2.69Å; Q636-I638 HydrophobicContact CB-CG1 4.32Å; Q636-L654 VanDerWaalsContact OE1-CD2 3.32Å
637	L	95.6	Very high	94.8	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	121.7	173.3	177.9	67.4	0	0	0	109.7	A584 Y586 Y591 L630 V632 Y655 W662	A584-L637 HydrophobicContact CB-CD1 4Å; Y586-L637 HydrophobicContact CD1-CB 3.84Å; Y586-L637 HydrophobicContact CD1-CD2 4.09Å; Y586-L637 HydrophobicContact CD2-CB 4.23Å; Y586-L637 HydrophobicContact CE1-CB 4.09Å; Y586-L637 HydrophobicContact CE2-CB 4.47Å; Y586-L637 HydrophobicContact CG-CB 3.91Å; Y586-L637 HydrophobicContact CG-CD2 4.4Å; Y591-L637 HydrophobicContact CD1-CD2 3.76Å; Y591-L637 HydrophobicContact CD2-CD2 4.45Å; Y591-L637 HydrophobicContact CE1-CD2 4.16Å; Y591-L637 HydrophobicContact CG-CD2 3.92Å; L630-L637 HydrophobicContact CD1-CD1 3.86Å; L630-L637 HydrophobicContact CD1-CG 4.21Å; L630-L637 HydrophobicContact CD2-CD1 4.1Å; L630-L637 HydrophobicContact CG-CD1 3.84Å; V632-L637 HydrophobicContact CG2-CB 4.33Å; V632-L637 HydrophobicContact CG2-CD1 3.75Å; L637-Y655 HydrophobicContact CD2-CD1 4.08Å; L637-Y655 PolarHBondContact O-N 3.14Å; L637-W662 HydrophobicContact CD2-CH2 4.09Å; L637-W662 HydrophobicContact CG-CH2 4.19Å
638	I	95.4	Very high	94.7	Very high	1 Å²	1	31 Å²	31	1%	0.005	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	123.9	-169.7	-53.6	-157.1	0	0	0	111.5	L401 Y419 L630 A631 V633 Q636 I640 V652 E653 L654	L401-I638 HydrophobicContact CD2-CB 4.02Å; L401-I638 HydrophobicContact CD2-CD1 4.11Å; L401-I638 HydrophobicContact CD2-CG1 4.4Å; L401-I638 HydrophobicContact CD2-CG2 4.1Å; Y419-I638 HydrophobicContact CE1-CD1 4.09Å; L630-I638 WeakPolarHBondContact CA-O 3.12Å; A631-I638 PolarHBondContact N-O 3.38Å; A631-I638 VanDerWaalsContact N-O 3.09Å; A631-I638 PolarHBondContact O-N 3.35Å; V633-I638 HydrophobicContact CG1-CD1 3.34Å; V633-I638 HydrophobicContact CG1-CG1 3.94Å; Q636-I638 HydrophobicContact CB-CG1 4.32Å; I638-I640 HydrophobicContact CG2-CD1 4.23Å; I638-I640 HydrophobicContact CG2-CG1 3.85Å; I638-V652 HydrophobicContact CG2-CG1 3.32Å; I638-E653 CarbonylContact C-O 3.56Å; I638-E653 WeakPolarHBondContact CA-O 3.29Å; I638-L654 HydrophobicContact CD1-CD1 3.74Å; I638-L654 HydrophobicContact CD1-CD2 4.37Å; I638-L654 HydrophobicContact CD1-CG 3.87Å; I638-L654 HydrophobicContact CG1-CD1 4.02Å; I638-L654 HydrophobicContact CG1-CG 3.95Å; I638-L654 HydrophobicContact CG2-CD1 4.09Å
639	A	97.7	Very high	94.7	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	127.3	172.6	0	0	0	0	0	111.2	V593 M621 V628 G629 L630 V652 E653 W662	V593-A639 HydrophobicContact CG1-CB 4.44Å; M621-A639 HydrophobicContact SD-CB 3.73Å; V628-A639 HydrophobicContact CG2-CB 4.2Å; G629-A639 CarbonylContact O-C 3.6Å; G629-A639 WeakPolarHBondContact O-CA 3.37Å; L630-A639 HydrophobicContact CD1-CB 3.99Å; A639-V652 WeakPolarHBondContact O-CA 3.3Å; A639-E653 PolarHBondContact N-O 3.06Å; A639-E653 PolarHBondContact O-N 2.88Å; A639-W662 HydrophobicContact CB-CH2 4.26Å; A639-W662 HydrophobicContact CB-CZ3 3.83Å
640	I	96.8	Very high	94.6	Very high	6 Å²	6	34.5 Å²	34.5	3%	0.031	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	128	-167.9	-63	168.6	0	0	0	110.9	L401 A403 W426 V628 G629 I638 V652 M668 V677	L401-I640 HydrophobicContact CD1-CD1 3.89Å; L401-I640 HydrophobicContact CD2-CD1 3.61Å; L401-I640 HydrophobicContact CG-CD1 3.78Å; A403-I640 HydrophobicContact CB-CG2 4.37Å; W426-I640 HydrophobicContact CH2-CD1 3.8Å; W426-I640 HydrophobicContact CH2-CG1 4.42Å; W426-I640 HydrophobicContact CH2-CG2 4.46Å; W426-I640 HydrophobicContact CZ2-CD1 4.2Å; W426-I640 HydrophobicContact CZ2-CG1 4.42Å; V628-I640 WeakPolarHBondContact CG2-O 3.45Å; G629-I640 PolarHBondContact N-O 3.11Å; G629-I640 PolarHBondContact O-N 2.84Å; I638-I640 HydrophobicContact CG2-CD1 4.23Å; I638-I640 HydrophobicContact CG2-CG1 3.85Å; I640-V652 HydrophobicContact CG1-CG1 4.17Å; I640-V652 HydrophobicContact CG1-CG2 4.34Å; I640-V652 HydrophobicContact CG2-CG2 4.44Å; I640-M668 HydrophobicContact CG2-CE 3.54Å; I640-M668 HydrophobicContact CG2-CG 4.32Å; I640-M668 HydrophobicContact CG2-SD 3.36Å; I640-M668 WeakPolarHBondContact CG2-SD 3.49Å; I640-V677 HydrophobicContact CB-CG1 4.33Å; I640-V677 HydrophobicContact CD1-CG1 3.76Å; I640-V677 HydrophobicContact CG2-CG1 4.49Å
641	G	96.6	Very high	94.4	Very high	1 Å²	1	35.1 Å²	35.1	1%	0.01	20%	0.204	C	C	.	.			trans	61.6	-143.7	168.6	0	0	0	0	0	113.9	R625 S651	R625-G641 PolarHBondContact NH1-O 2.98Å; G641-S651 PolarHBondContact N-O 2.86Å
642	G	97.6	Very high	94.4	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	20%	0.2	C	C	.	.			trans	93.8	-158	-173.5	0	0	0	0	0	113.9	S626 G627 L649 R672	S626-G642 CarbonylContact O-C 3.58Å; S626-G642 WeakPolarHBondContact O-CA 3.47Å; G627-G642 WeakPolarHBondContact O-CA 3.41Å; G642-L649 WeakPolarHBondContact O-CB 3.29Å; G642-L649 PolarHBondContact O-N 2.88Å; G642-R672 PolarHBondContact N-O 3.09Å
643	F	97.8	Very high	94.5	Very high	42 Å²	42	33 Å²	33	18%	0.184	19%	0.19	C	C	.	.	B	Isolated β-bridge	trans	-140.5	137.6	178.8	-179.1	-105.2	0	0	0	109.7	E601 R625 S626 G645 A646 T647 Y648 L673	E601-F643 HydrophobicContact CG-CD1 4.15Å; E601-F643 WeakPolarHBondContact CG-O 3.47Å; R625-F643 WeakPolarHBondContact CA-O 3.48Å; S626-F643 PolarHBondContact N-O 2.89Å; S626-F643 PolarHBondContact O-N 3.3Å; F643-G645 WeakPolarHBondContact CZ-O 3.41Å; F643-A646 VanDerWaalsContact CE2-C 3.46Å; F643-T647 WeakPolarHBondContact CA-O 3.32Å; F643-T647 VanDerWaalsContact CD2-C 3.44Å; F643-T647 WeakPolarHBondContact CD2-O 3.4Å; F643-Y648 AromaticContact CD2-CD1 3.93Å; F643-Y648 HydrophobicContact CD2-CD1 3.93Å; F643-Y648 HydrophobicContact CD2-CE1 4.09Å; F643-Y648 HydrophobicContact CD2-CG 4.28Å; F643-Y648 HydrophobicContact CE2-CE1 4.48Å; F643-L673 HydrophobicContact CB-CD1 3.84Å; F643-L673 HydrophobicContact CB-CD2 4.21Å; F643-L673 HydrophobicContact CB-CG 4.41Å
644	D	96.9	Very high	94.7	Very high	49 Å²	49	33.6 Å²	33.6	26%	0.262	19%	0.193	S	C	.	.			trans	-97.1	-6	-173.7	62.4	16	0	0	0	115.1	R624 A646 T647 L649	R624-D644 HydrophobicContact CB-CB 4.27Å; R624-D644 VanDerWaalsContact O-CA 3.24Å; R624-D644 WeakPolarHBondContact O-CA 3.35Å; R624-D644 VanDerWaalsContact O-CB 3.29Å; R624-D644 WeakPolarHBondContact O-CB 3.39Å; D644-A646 PolarHBondContact OD1-N 3.12Å; D644-T647 PolarHBondContact N-O 3.38Å; D644-T647 PolarHBondContact OD1-N 3.41Å; D644-T647 WeakPolarHBondContact OD2-CB 3.47Å; D644-L649 HydrophobicContact CB-CD1 4.32Å; D644-L649 HydrophobicContact CB-CD2 4.31Å
645	G	95.1	Very high	95.4	Very high	42 Å²	42	32.1 Å²	32.1	43%	0.433	18%	0.184	S	C	.	.	S	Bend	trans	118.6	-22.6	-172	0	0	0	0	0	112.9	F643	F643-G645 WeakPolarHBondContact CZ-O 3.41Å
646	A	95.5	Very high	95.7	Very high	85 Å²	85	30.2 Å²	30.2	70%	0.702	17%	0.174	S	C	*	.	S	Bend	trans	-134	-31	179	0	0	0	0	0	114	F643 D644	F643-A646 VanDerWaalsContact CE2-C 3.46Å; D644-A646 PolarHBondContact OD1-N 3.12Å
647	T	95.8	Very high	95.7	Very high	56 Å²	56	28.9 Å²	28.9	34%	0.344	17%	0.172	S	C	.	.			trans	-126.3	129.8	-166.9	-55	0	0	0	0	112	F643 D644 L649	F643-T647 WeakPolarHBondContact CA-O 3.32Å; F643-T647 VanDerWaalsContact CD2-C 3.44Å; F643-T647 WeakPolarHBondContact CD2-O 3.4Å; D644-T647 PolarHBondContact N-O 3.38Å; D644-T647 PolarHBondContact OD1-N 3.41Å; D644-T647 WeakPolarHBondContact OD2-CB 3.47Å; T647-L649 HydrophobicContact CG2-CD2 4.47Å; T647-L649 PolarHBondContact O-N 3.2Å
648	Y	96.8	Very high	95.4	Very high	59 Å²	59	36.5 Å²	36.5	23%	0.231	21%	0.212	C	C	.	.	B	Isolated β-bridge	trans	-68.2	120.3	166.3	-62.7	-75	0	0	0	109.8	W407 F643 R671 L673	W407-Y648 AromaticContact CD1-CE1 3.69Å; W407-Y648 AromaticContact CD1-CZ 3.98Å; F643-Y648 AromaticContact CD2-CD1 3.93Å; F643-Y648 HydrophobicContact CD2-CD1 3.93Å; F643-Y648 HydrophobicContact CD2-CE1 4.09Å; F643-Y648 HydrophobicContact CD2-CG 4.28Å; F643-Y648 HydrophobicContact CE2-CE1 4.48Å; Y648-R671 WeakPolarHBondContact O-CD 3.46Å; Y648-R671 VanDerWaalsContact O-CG 3.29Å; Y648-R671 WeakPolarHBondContact O-CG 3.29Å; Y648-R671 PolarHBondContact O-NH1 2.93Å; Y648-L673 HydrophobicContact CD1-CB 3.8Å; Y648-L673 HydrophobicContact CD1-CD2 4.29Å; Y648-L673 HydrophobicContact CE1-CB 4.12Å; Y648-L673 HydrophobicContact CE1-CD2 3.81Å
649	L	96.6	Very high	95.2	Very high	11 Å²	11	39.4 Å²	39.4	6%	0.058	24%	0.237	C	C	.	.			trans	-87.1	143.4	-170.3	-59.8	179.5	0	0	0	112.5	R625 G642 D644 T647 R671 R672	R625-L649 HydrophobicContact CB-CD1 4.46Å; R625-L649 HydrophobicContact CG-CD1 3.78Å; G642-L649 WeakPolarHBondContact O-CB 3.29Å; G642-L649 PolarHBondContact O-N 2.88Å; D644-L649 HydrophobicContact CB-CD1 4.32Å; D644-L649 HydrophobicContact CB-CD2 4.31Å; T647-L649 HydrophobicContact CG2-CD2 4.47Å; T647-L649 PolarHBondContact O-N 3.2Å; L649-R671 WeakPolarHBondContact O-CA 3.35Å; L649-R672 PolarHBondContact O-N 2.85Å
650	K	95.6	Very high	94.9	Very high	80 Å²	80	43.4 Å²	43.4	35%	0.348	26%	0.258	S	S	.	.			trans	-122.6	-3.9	164.9	65.6	177.2	-154.8	123.7	0	113.3	S667 M668 S670 R671	K650-S667 WeakPolarHBondContact CD-OG 3.25Å; K650-S667 WeakPolarHBondContact CE-OG 3.2Å; K650-S667 WeakPolarHBondContact CG-OG 3.22Å; K650-S667 PolarHBondContact NZ-OG 3.23Å; K650-S667 CarbonylContact O-C 3.52Å; K650-S667 WeakPolarHBondContact O-CA 3.32Å; K650-S667 PolarHBondContact O-OG 2.93Å; K650-M668 HydrophobicContact CB-CB 4.32Å; K650-M668 PolarHBondContact NZ-O 3.11Å; K650-M668 PolarHBondContact O-N 3.03Å; K650-S670 VanDerWaalsContact CB-O 3.27Å; K650-S670 WeakPolarHBondContact CB-O 3.45Å; K650-R671 HydrophobicContact CB-CB 4.41Å; K650-R671 HydrophobicContact CB-CG 3.89Å; K650-R671 HydrophobicContact CD-CG 4.13Å; K650-R671 HydrophobicContact CG-CG 4.08Å
651	S	95.5	Very high	94.9	Very high	26 Å²	26	45.7 Å²	45.7	18%	0.182	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	151.6	174.8	52.2	0	0	0	0	110.7	R625 G641	R625-S651 PolarHBondContact NH1-O 3.05Å; R625-S651 PolarHBondContact NH2-O 2.88Å; R625-S651 PolarHBondContact NH2-OG 3.03Å; G641-S651 PolarHBondContact N-O 2.86Å
652	V	95.2	Very high	94.9	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	136.4	179.8	176.9	0	0	0	0	107.9	W426 I638 A639 I640 L654 V664 R665 M668	W426-V652 HydrophobicContact CZ2-CG2 3.8Å; I638-V652 HydrophobicContact CG2-CG1 3.32Å; A639-V652 WeakPolarHBondContact O-CA 3.3Å; I640-V652 HydrophobicContact CG1-CG1 4.17Å; I640-V652 HydrophobicContact CG1-CG2 4.34Å; I640-V652 HydrophobicContact CG2-CG2 4.44Å; V652-L654 HydrophobicContact CG1-CD1 4.25Å; V652-V664 CarbonylContact O-C 3.47Å; V652-V664 WeakPolarHBondContact O-CA 3.45Å; V652-R665 PolarHBondContact O-N 2.78Å; V652-M668 HydrophobicContact CG2-CG 4.26Å
653	E	96.1	Very high	94.7	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	133.5	-178.7	-75.5	175.3	-103.2	0	0	110.7	T622 S623 R625 I638 A639 W662 S663 V664	T622-E653 WeakPolarHBondContact CB-OE2 3.31Å; T622-E653 PolarHBondContact N-OE2 3.04Å; T622-E653 PolarHBondContact OG1-OE1 3.32Å; T622-E653 PolarHBondContact OG1-OE2 3.07Å; S623-E653 WeakPolarHBondContact CB-OE1 3.43Å; S623-E653 PolarHBondContact N-OE1 3.15Å; S623-E653 PolarHBondContact OG-OE1 3.33Å; R625-E653 IonicContact CZ-OE1 2.63Å; R625-E653 IonicContact NE-OE1 2.74Å; R625-E653 PolarHBondContact NE-OE1 3.47Å; R625-E653 IonicContact NH2-OE1 3.31Å; R625-E653 PolarHBondContact NH2-OE1 2.69Å; I638-E653 CarbonylContact C-O 3.56Å; I638-E653 WeakPolarHBondContact CA-O 3.29Å; A639-E653 PolarHBondContact N-O 3.06Å; A639-E653 PolarHBondContact O-N 2.88Å; E653-W662 HydrophobicContact CB-CE3 3.85Å; E653-S663 WeakPolarHBondContact CA-O 3.32Å; E653-V664 HydrophobicContact CG-CB 4.48Å; E653-V664 HydrophobicContact CG-CG2 3.82Å
654	L	94.4	Very high	94.5	Very high	13 Å²	13	49.4 Å²	49.4	7%	0.068	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	132.2	173.8	-83.5	60.7	0	0	0	108.8	Q636 I638 V652 W662 S663 R665	Q636-L654 VanDerWaalsContact OE1-CD2 3.32Å; I638-L654 HydrophobicContact CD1-CD1 3.74Å; I638-L654 HydrophobicContact CD1-CD2 4.37Å; I638-L654 HydrophobicContact CD1-CG 3.87Å; I638-L654 HydrophobicContact CG1-CD1 4.02Å; I638-L654 HydrophobicContact CG1-CG 3.95Å; I638-L654 HydrophobicContact CG2-CD1 4.09Å; V652-L654 HydrophobicContact CG1-CD1 4.25Å; L654-W662 WeakPolarHBondContact O-CA 3.44Å; L654-S663 PolarHBondContact N-O 3.16Å; L654-S663 PolarHBondContact O-N 3.1Å; L654-R665 HydrophobicContact CB-CG 4.38Å; L654-R665 HydrophobicContact CD1-CB 3.86Å; L654-R665 HydrophobicContact CD1-CG 4.09Å; L654-R665 HydrophobicContact CD2-CB 4.46Å; L654-R665 HydrophobicContact CD2-CG 4.13Å; L654-R665 HydrophobicContact CG-CG 4.42Å
655	Y	96.5	Very high	93.8	Very high	21 Å²	21	53.7 Å²	53.7	8%	0.082	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	128.3	170	178.4	-127.2	0	0	0	110.3	Y586 Y591 V618 V619 L637 P657 N660 C661 W662	Y586-Y655 HydrophobicContact CD1-CD1 4.28Å; Y586-Y655 HydrophobicContact CE1-CD1 4.01Å; Y586-Y655 HydrophobicContact CE1-CE1 4.34Å; Y591-Y655 HydrophobicContact CE1-CD1 4.46Å; Y591-Y655 HydrophobicContact CE1-CE1 4.01Å; V618-Y655 HydrophobicContact CG1-CE2 3.95Å; V619-Y655 HydrophobicContact CG1-CD2 4.12Å; V619-Y655 HydrophobicContact CG1-CE2 3.64Å; L637-Y655 HydrophobicContact CD2-CD1 4.08Å; L637-Y655 PolarHBondContact O-N 3.14Å; Y655-P657 HydrophobicContact CD1-CB 4.45Å; Y655-P657 HydrophobicContact CE1-CB 3.87Å; Y655-N660 PolarHBondContact OH-OD1 3.48Å; Y655-C661 WeakPolarHBondContact CD2-O 3.45Å; Y655-W662 HydrophobicContact CD2-CD2 4.34Å; Y655-W662 HydrophobicContact CD2-CZ2 4.42Å; Y655-W662 HydrophobicContact CG-CZ2 4.27Å
656	D	91.8	Very high	92.8	Very high	66 Å²	66	53.8 Å²	53.8	35%	0.353	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	111.5	167.9	-171.7	-40.1	0	0	0	108.1	D658 A659 N660 C661	D656-D658 PolarHBondContact OD1-N 3.46Å; D656-A659 HydrophobicContact CB-CB 4.17Å; D656-A659 PolarHBondContact OD1-N 2.74Å; D656-N660 WeakPolarHBondContact O-CA 3.45Å; D656-N660 PolarHBondContact O-N 3.12Å; D656-C661 PolarHBondContact N-O 2.83Å; D656-C661 PolarHBondContact O-N 3.15Å; D656-C661 VanDerWaalsContact O-N 3.12Å
657	P	90.9	Very high	92.5	Very high	48 Å²	48	51.9 Å²	51.9	31%	0.312	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.4	-23.8	-178.2	32.3	-35.7	0	0	0	113.4	Y586 Y655	Y586-P657 HydrophobicContact CE1-CB 4.43Å; Y586-P657 HydrophobicContact CE1-CG 4.36Å; Y655-P657 HydrophobicContact CD1-CB 4.45Å; Y655-P657 HydrophobicContact CE1-CB 3.87Å
658	D	88.6	Confident	92.4	Very high	160 Å²	160	49.2 Å²	49.2	86%	0.856	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80	-40.6	-179.4	-70	-30.6	0	0	0	110.2	D656	D656-D658 PolarHBondContact OD1-N 3.46Å
659	A	91.1	Very high	92.2	Very high	62 Å²	62	50.5 Å²	50.5	51%	0.512	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85	-7.8	173.1	0	0	0	0	0	113.8	D656 C661	D656-A659 HydrophobicContact CB-CB 4.17Å; D656-A659 PolarHBondContact OD1-N 2.74Å; A659-C661 VanDerWaalsContact C-N 3.34Å; A659-C661 PolarHBondContact O-N 3.32Å
660	N	91.9	Very high	91.8	Very high	85 Å²	85	51.3 Å²	51.3	46%	0.455	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	43.7	55.8	-172.3	-173.3	20.6	0	0	0	112.2	V619 Y655 D656	V619-N660 WeakPolarHBondContact CB-O 3.23Å; V619-N660 WeakPolarHBondContact CB-OD1 3.19Å; V619-N660 WeakPolarHBondContact CG1-O 3.43Å; V619-N660 WeakPolarHBondContact CG1-OD1 3.32Å; Y655-N660 PolarHBondContact OH-OD1 3.48Å; D656-N660 WeakPolarHBondContact O-CA 3.45Å; D656-N660 PolarHBondContact O-N 3.12Å
661	C	96.3	Very high	91.8	Very high	53 Å²	53	52.9 Å²	52.9	36%	0.358	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	162.4	178.8	74.1	0	0	0	0	112.9	Y655 D656 A659	Y655-C661 WeakPolarHBondContact CD2-O 3.45Å; D656-C661 PolarHBondContact N-O 2.83Å; D656-C661 PolarHBondContact O-N 3.15Å; D656-C661 VanDerWaalsContact O-N 3.12Å; A659-C661 VanDerWaalsContact C-N 3.34Å; A659-C661 PolarHBondContact O-N 3.32Å
662	W	97.2	Very high	91.9	Very high	15 Å²	15	52 Å²	52	6%	0.057	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	134.2	170.5	-68	87.8	0	0	0	110.2	V593 V605 V619 A620 M621 L630 L637 A639 E653 L654 Y655	V593-W662 HydrophobicContact CG2-CH2 4.32Å; V593-W662 HydrophobicContact CG2-CZ2 4.27Å; V605-W662 HydrophobicContact CG2-CZ2 3.94Å; V619-W662 PolarHBondContact O-NE1 3.22Å; A620-W662 VanDerWaalsContact O-CD1 3.29Å; M621-W662 HydrophobicContact CG-CD2 3.85Å; M621-W662 HydrophobicContact CG-CE3 4.29Å; M621-W662 HydrophobicContact CG-CG 4.16Å; M621-W662 HydrophobicContact CG-CZ2 4.16Å; L630-W662 HydrophobicContact CD1-CH2 4.31Å; L637-W662 HydrophobicContact CD2-CH2 4.09Å; L637-W662 HydrophobicContact CG-CH2 4.19Å; A639-W662 HydrophobicContact CB-CH2 4.26Å; A639-W662 HydrophobicContact CB-CZ3 3.83Å; E653-W662 HydrophobicContact CB-CE3 3.85Å; L654-W662 WeakPolarHBondContact O-CA 3.44Å; Y655-W662 HydrophobicContact CD2-CD2 4.34Å; Y655-W662 HydrophobicContact CD2-CZ2 4.42Å; Y655-W662 HydrophobicContact CG-CZ2 4.27Å
663	S	94.1	Very high	91.9	Very high	30 Å²	30	53.9 Å²	53.9	21%	0.21	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	130.8	174.4	68.9	0	0	0	0	111.4	E653 L654 R665	E653-S663 WeakPolarHBondContact CA-O 3.32Å; L654-S663 PolarHBondContact N-O 3.16Å; L654-S663 PolarHBondContact O-N 3.1Å; S663-R665 PolarHBondContact O-N 2.8Å; S663-R665 PolarHBondContact OG-NE 3.44Å
664	V	92.1	Very high	91.8	Very high	77 Å²	77	54.8 Å²	54.8	47%	0.467	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	117.2	174.4	-178.1	0	0	0	0	108.7	V652 E653	V652-V664 CarbonylContact O-C 3.47Å; V652-V664 WeakPolarHBondContact O-CA 3.45Å; E653-V664 HydrophobicContact CG-CB 4.48Å; E653-V664 HydrophobicContact CG-CG2 3.82Å
665	R	81.8	Confident	91.8	Very high	139 Å²	139	55 Å²	55	53%	0.525	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	111.2	178.7	-54.9	-64.6	-178.3	168.1	5.1	110.4	V652 L654 S663	V652-R665 PolarHBondContact O-N 2.78Å; L654-R665 HydrophobicContact CB-CG 4.38Å; L654-R665 HydrophobicContact CD1-CB 3.86Å; L654-R665 HydrophobicContact CD1-CG 4.09Å; L654-R665 HydrophobicContact CD2-CB 4.46Å; L654-R665 HydrophobicContact CD2-CG 4.13Å; L654-R665 HydrophobicContact CG-CG 4.42Å; S663-R665 PolarHBondContact O-N 2.8Å; S663-R665 PolarHBondContact OG-NE 3.44Å
666	G	74.7	Confident	91.8	Very high	44 Å²	44	54.5 Å²	54.5	45%	0.454	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	69	-169	178.8	0	0	0	0	0	114.1
667	S	88.9	Confident	92.1	Very high	44 Å²	44	52.6 Å²	52.6	31%	0.308	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.4	137.4	-177.8	168.6	0	0	0	0	108.1	W426 K650	W426-S667 VanDerWaalsContact CD1-C 3.43Å; K650-S667 WeakPolarHBondContact CD-OG 3.25Å; K650-S667 WeakPolarHBondContact CE-OG 3.2Å; K650-S667 WeakPolarHBondContact CG-OG 3.22Å; K650-S667 PolarHBondContact NZ-OG 3.23Å; K650-S667 CarbonylContact O-C 3.52Å; K650-S667 WeakPolarHBondContact O-CA 3.32Å; K650-S667 PolarHBondContact O-OG 2.93Å
668	M	94.3	Very high	92.3	Very high	1 Å²	1	50.6 Å²	50.6	1%	0.005	30%	0.297	C	S	.	.			trans	-57.9	157.6	161	-69.7	-176.2	-64.8	0	0	110.5	A403 W426 I640 K650 V652 S670 R672	A403-M668 HydrophobicContact CB-SD 3.63Å; W426-M668 HydrophobicContact CD2-CB 4.47Å; W426-M668 HydrophobicContact CD2-CG 3.77Å; W426-M668 HydrophobicContact CE3-CG 3.98Å; W426-M668 HydrophobicContact CG-CG 4.34Å; W426-M668 HydrophobicContact CH2-CG 4.1Å; W426-M668 HydrophobicContact CH2-SD 4.49Å; W426-M668 HydrophobicContact CZ2-CG 3.91Å; W426-M668 HydrophobicContact CZ3-CG 4.14Å; I640-M668 HydrophobicContact CG2-CE 3.54Å; I640-M668 HydrophobicContact CG2-CG 4.32Å; I640-M668 HydrophobicContact CG2-SD 3.36Å; I640-M668 WeakPolarHBondContact CG2-SD 3.49Å; K650-M668 HydrophobicContact CB-CB 4.32Å; K650-M668 PolarHBondContact NZ-O 3.11Å; K650-M668 PolarHBondContact O-N 3.03Å; V652-M668 HydrophobicContact CG2-CG 4.26Å; M668-S670 VanDerWaalsContact CB-O 3.29Å; M668-S670 WeakPolarHBondContact CB-O 3.41Å; M668-R672 HydrophobicContact CE-CB 4.1Å; M668-R672 HydrophobicContact CE-CG 4.17Å; M668-R672 HydrophobicContact SD-CG 4.33Å
669	N	91.6	Very high	92.5	Very high	85 Å²	85	44.6 Å²	44.6	46%	0.455	27%	0.266	S	S	.	.	S	Bend	trans	-66.2	-46.7	168.7	-61.5	-82.4	0	0	0	109.7	E417 W426 L428	E417-N669 VanDerWaalsContact OE2-CB 3.28Å; E417-N669 WeakPolarHBondContact OE2-CB 3.46Å; E417-N669 PolarHBondContact OE2-N 3.42Å; E417-N669 PolarHBondContact OE2-ND2 2.75Å; W426-N669 WeakPolarHBondContact CB-ND2 3.03Å; W426-N669 PolarHBondContact O-ND2 3.49Å; L428-N669 HydrophobicContact CD2-CB 4.48Å
670	S	89.3	Confident	92.4	Very high	29 Å²	29	41.7 Å²	41.7	20%	0.203	24%	0.242	C	C	.	.	S	Bend	trans	-96	149.2	-179.2	-49.9	0	0	0	0	112.6	E417 K650 M668 R672	E417-S670 WeakPolarHBondContact OE1-CB 3.29Å; E417-S670 PolarHBondContact OE1-N 3.37Å; E417-S670 VanDerWaalsContact OE1-N 3.12Å; E417-S670 PolarHBondContact OE1-OG 3.48Å; K650-S670 VanDerWaalsContact CB-O 3.27Å; K650-S670 WeakPolarHBondContact CB-O 3.45Å; M668-S670 VanDerWaalsContact CB-O 3.29Å; M668-S670 WeakPolarHBondContact CB-O 3.41Å; S670-R672 PolarHBondContact OG-NH2 3.25Å
671	R	95.6	Very high	91.8	Very high	112 Å²	112	45 Å²	45	42%	0.423	25%	0.248	S	C	.	.			trans	-81.4	134.9	163.1	-63	169.3	-178.4	-91.2	8.9	108.4	C408 I413 Y648 L649 K650	C408-R671 HydrophobicContact CB-CB 4.48Å; I413-R671 VanDerWaalsContact CD1-O 3.25Å; I413-R671 WeakPolarHBondContact CD1-O 3.05Å; Y648-R671 WeakPolarHBondContact O-CD 3.46Å; Y648-R671 VanDerWaalsContact O-CG 3.29Å; Y648-R671 WeakPolarHBondContact O-CG 3.29Å; Y648-R671 PolarHBondContact O-NH1 2.93Å; L649-R671 WeakPolarHBondContact O-CA 3.35Å; K650-R671 HydrophobicContact CB-CB 4.41Å; K650-R671 HydrophobicContact CB-CG 3.89Å; K650-R671 HydrophobicContact CD-CG 4.13Å; K650-R671 HydrophobicContact CG-CG 4.08Å
672	R	96.9	Very high	90.4	Very high	8 Å²	8	43.5 Å²	43.5	3%	0.03	24%	0.236	C	C	.	.			trans	-142.6	105.7	-171.9	-58.3	179.7	-174.9	-89.1	-0.5	111.7	G405 I413 S415 E417 G642 L649 M668 S670	G405-R672 WeakPolarHBondContact O-CD 3.29Å; G405-R672 WeakPolarHBondContact O-CG 3.48Å; G405-R672 PolarHBondContact O-NH1 3.48Å; I413-R672 HydrophobicContact CD1-CG 4.28Å; S415-R672 PolarHBondContact O-NH1 3.02Å; S415-R672 PolarHBondContact O-NH2 3.3Å; S415-R672 PolarHBondContact OG-NH2 3.39Å; E417-R672 IonicContact OE1-CZ 3.81Å; E417-R672 VanDerWaalsContact OE1-CZ 3.28Å; E417-R672 IonicContact OE1-NE 3.83Å; E417-R672 PolarHBondContact OE1-NE 3.19Å; E417-R672 IonicContact OE1-NH2 2.83Å; E417-R672 PolarHBondContact OE1-NH2 3.35Å; G642-R672 PolarHBondContact N-O 3.09Å; L649-R672 PolarHBondContact O-N 2.85Å; M668-R672 HydrophobicContact CE-CB 4.1Å; M668-R672 HydrophobicContact CE-CG 4.17Å; M668-R672 HydrophobicContact SD-CG 4.33Å; S670-R672 PolarHBondContact OG-NH2 3.25Å
673	L	96.8	Very high	88.3	Confident	40 Å²	40	47.9 Å²	47.9	21%	0.209	26%	0.264	C	S	.	.	B	Isolated β-bridge	trans	-89.9	129	162.8	165.9	64.4	0	0	0	109.7	G406 W407 S626 F643 Y648 G675	G406-L673 CarbonylContact C-O 3.55Å; G406-L673 VanDerWaalsContact CA-O 3.32Å; G406-L673 WeakPolarHBondContact CA-O 3.35Å; W407-L673 HydrophobicContact CB-CB 4.37Å; W407-L673 PolarHBondContact N-O 2.96Å; W407-L673 PolarHBondContact O-N 2.75Å; S626-L673 WeakPolarHBondContact O-CD1 3.43Å; F643-L673 HydrophobicContact CB-CD1 3.84Å; F643-L673 HydrophobicContact CB-CD2 4.21Å; F643-L673 HydrophobicContact CB-CG 4.41Å; Y648-L673 HydrophobicContact CD1-CB 3.8Å; Y648-L673 HydrophobicContact CD1-CD2 4.29Å; Y648-L673 HydrophobicContact CE1-CB 4.12Å; Y648-L673 HydrophobicContact CE1-CD2 3.81Å; L673-G675 PolarHBondContact O-N 3.4Å
674	G	92.9	Very high	85.9	Confident	19 Å²	19	50.7 Å²	50.7	20%	0.196	28%	0.277	C	S	.	.	S	Bend	trans	61	33.4	173.4	0	0	0	0	0	113.6	G438 G627	G438-G674 WeakPolarHBondContact CA-O 3.14Å; G438-G674 PolarHBondContact N-O 2.76Å; G627-G674 PolarHBondContact O-N 3.37Å
675	G	94.7	Very high	83.3	Confident	18 Å²	18	50 Å²	50	19%	0.186	27%	0.274	C	S	.	.			trans	-77.4	161.1	160.8	0	0	0	0	0	110.2	I404 G406 L673	I404-G675 CarbonylContact O-C 3.46Å; I404-G675 VanDerWaalsContact O-CA 3.23Å; I404-G675 WeakPolarHBondContact O-CA 3.38Å; G406-G675 VanDerWaalsContact CA-CA 3.49Å; L673-G675 PolarHBondContact O-N 3.4Å
676	G	96.5	Very high	81.2	Confident	9 Å²	9	51.3 Å²	51.3	9%	0.093	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	159.6	170.5	0	0	0	0	0	111.2	I404	I404-G676 PolarHBondContact N-O 3.39Å; I404-G676 PolarHBondContact O-N 2.89Å
677	V	97.1	Very high	79.5	Confident	26 Å²	26	52.4 Å²	52.4	16%	0.158	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	148	172.1	-68.2	0	0	0	0	110.2	L401 F402 V441 A631 I640	L401-V677 HydrophobicContact CD1-CB 4.16Å; F402-V677 VanDerWaalsContact O-CA 3.25Å; F402-V677 WeakPolarHBondContact O-CA 3.34Å; V441-V677 WeakPolarHBondContact CG1-O 3.39Å; A631-V677 HydrophobicContact CB-CG2 4.14Å; I640-V677 HydrophobicContact CB-CG1 4.33Å; I640-V677 HydrophobicContact CD1-CG1 3.76Å; I640-V677 HydrophobicContact CG2-CG1 4.49Å
678	G	95.5	Very high	77.2	Confident	7 Å²	7	54.3 Å²	54.3	7%	0.072	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.6	151.1	178.4	0	0	0	0	0	111.1	F402	F402-G678 PolarHBondContact N-O 2.9Å; F402-G678 PolarHBondContact O-N 2.95Å; F402-G678 VanDerWaalsContact O-N 3.13Å
679	V	93.6	Very high	75	Confident	34 Å²	34	54.9 Å²	54.9	21%	0.206	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	124.2	-175	179.4	0	0	0	0	109.4	E399 L400 L401 A631 V633	E399-V679 HydrophobicContact CB-CG1 3.67Å; E399-V679 HydrophobicContact CG-CG1 4.15Å; L400-V679 WeakPolarHBondContact O-CA 3.39Å; L401-V679 HydrophobicContact CB-CG2 4.28Å; L401-V679 HydrophobicContact CD1-CG2 3.73Å; A631-V679 HydrophobicContact CB-CG2 3.99Å; V633-V679 HydrophobicContact CB-CG2 4.44Å; V633-V679 HydrophobicContact CG2-CG1 4.2Å
680	V	89.1	Confident	72.7	Confident	1 Å²	1	54.2 Å²	54.2	1%	0.006	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	144.7	178.8	177.1	0	0	0	0	110.1	E399 L400 F402 V443 D446 L448 P468	E399-V680 WeakPolarHBondContact CA-O 3.36Å; L400-V680 PolarHBondContact N-O 2.73Å; L400-V680 PolarHBondContact O-N 2.71Å; F402-V680 HydrophobicContact CD2-CG2 4.36Å; F402-V680 HydrophobicContact CE2-CB 4.14Å; F402-V680 HydrophobicContact CE2-CG2 4.04Å; V443-V680 HydrophobicContact CG1-CG2 3.83Å; V443-V680 HydrophobicContact CG2-CG2 4.33Å; D446-V680 HydrophobicContact CB-CG1 3.78Å; D446-V680 VanDerWaalsContact O-CG1 3.31Å; D446-V680 WeakPolarHBondContact O-CG1 3.14Å; D446-V680 WeakPolarHBondContact O-CG2 3.37Å; L448-V680 HydrophobicContact CD1-CG2 3.49Å; L448-V680 VanDerWaalsContact CD1-CG2 3.49Å; L448-V680 HydrophobicContact CD2-CG2 4.37Å; L448-V680 HydrophobicContact CG-CG2 3.72Å; P468-V680 HydrophobicContact CG-CG1 4.22Å; P468-V680 HydrophobicContact CG-CG2 4.35Å
681	R	79.1	Confident	70	Confident	155 Å²	155	58.9 Å²	58.9	59%	0.585	31%	0.307	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.3	113.1	172.6	-75.5	169.2	-180	-173.7	-1.7	109.8	E399 D446 V683	E399-R681 HydrophobicContact CG-CG 3.79Å; E399-R681 IonicContact OE1-CZ 2.71Å; E399-R681 IonicContact OE1-NE 3.83Å; E399-R681 PolarHBondContact OE1-NE 2.95Å; E399-R681 IonicContact OE1-NH2 2.86Å; E399-R681 PolarHBondContact OE1-NH2 2.88Å; D446-R681 PolarHBondContact OD1-N 2.84Å; R681-V683 PolarHBondContact O-N 2.84Å
682	L	66.8	Low	67	Low	20 Å²	20	57.6 Å²	57.6	11%	0.105	31%	0.311	C	S	.	.			trans	-80.2	104	174.4	-71.6	-171.7	0	0	0	110.3	G397 L400 P468 N684	G397-L682 VanDerWaalsContact CA-O 3.25Å; G397-L682 WeakPolarHBondContact CA-O 3.29Å; L400-L682 HydrophobicContact CD1-CD1 3.48Å; L400-L682 VanDerWaalsContact CD1-CD1 3.48Å; L400-L682 HydrophobicContact CD1-CG 4.03Å; L400-L682 HydrophobicContact CG-CD1 4.06Å; L400-L682 HydrophobicContact CG-CG 4.3Å; P468-L682 HydrophobicContact CB-CD2 4.27Å; L682-N684 PolarHBondContact O-N 3.45Å
683	V	52.6	Low	63.6	Low	108 Å²	108	61.3 Å²	61.3	66%	0.655	34%	0.339	S	S	*	.	S	Bend	trans	-69.7	1.8	-179.2	-165.5	0	0	0	0	113.2	R681	R681-V683 PolarHBondContact O-N 2.84Å
684	N	43.4	Very low	60.3	Low	88 Å²	88	69.3 Å²	69.3	47%	0.471	37%	0.372	S	S	.	.			trans	-143.2	107.5	-174.1	-162.2	-24.6	0	0	0	113	L682 H686 F687	L682-N684 PolarHBondContact O-N 3.45Å; N684-H686 PolarHBondContact O-N 2.92Å; N684-H686 VanDerWaalsContact O-N 3.16Å; N684-H686 PolarHBondContact OD1-N 2.84Å; N684-F687 PolarHBondContact O-N 2.89Å
685	P	38.4	Very low	57.1	Low	63 Å²	63	74.7 Å²	74.7	41%	0.409	40%	0.395	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-19.2	-175.1	-20.3	29.4	0	0	0	115.5	N307 F687	N307-P685 VanDerWaalsContact OD1-CG 3.23Å; N307-P685 WeakPolarHBondContact OD1-CG 3.17Å; P685-F687 PolarHBondContact O-N 2.9Å
686	H	36.7	Very low	53.8	Low	166 Å²	166	78.9 Å²	78.9	77%	0.769	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.5	-5.2	-179.6	-64.4	-61.4	0	0	0	113.6	N684 N688	N684-H686 PolarHBondContact O-N 2.92Å; N684-H686 VanDerWaalsContact O-N 3.16Å; N684-H686 PolarHBondContact OD1-N 2.84Å; H686-N688 PolarHBondContact O-N 2.86Å; H686-N688 VanDerWaalsContact O-N 3.1Å
687	F	39.7	Very low	50.4	Low	67 Å²	67	85.3 Å²	85.3	29%	0.294	45%	0.454	S	S	.	.			trans	-83.3	87.7	-176.9	-166.9	-101.5	0	0	0	112.8	P468 H469 N684 P685 L689	P468-F687 WeakPolarHBondContact O-CE1 3.28Å; P468-F687 WeakPolarHBondContact O-CZ 3.39Å; H469-F687 WeakPolarHBondContact O-CE2 3.16Å; H469-F687 WeakPolarHBondContact O-CZ 3.31Å; N684-F687 PolarHBondContact O-N 2.89Å; P685-F687 PolarHBondContact O-N 2.9Å; F687-L689 HydrophobicContact CD1-CG 4.09Å; F687-L689 HydrophobicContact CE1-CD2 3.71Å; F687-L689 HydrophobicContact CE1-CG 3.67Å; F687-L689 HydrophobicContact CZ-CD2 4.46Å; F687-L689 PolarHBondContact O-N 3.13Å
688	N	41.1	Very low	47.2	Very low	85 Å²	85	91.9 Å²	91.9	46%	0.455	49%	0.488	S	S	.	.			trans	-87.9	87.6	-179	-168.5	6.6	0	0	0	112.1	H686 N690 N691	H686-N688 PolarHBondContact O-N 2.86Å; H686-N688 VanDerWaalsContact O-N 3.1Å; N688-N690 PolarHBondContact O-N 3.18Å; N688-N690 WeakPolarHBondContact OD1-CB 3.47Å; N688-N690 PolarHBondContact OD1-N 2.57Å; N688-N690 PolarHBondContact OD1-ND2 3.45Å; N688-N691 PolarHBondContact O-N 2.71Å
689	L	48.6	Very low	44	Very low	13 Å²	13	97.1 Å²	97.1	7%	0.068	52%	0.524	C	S	.	.	G	3₁₀ helix	trans	-45.2	-29.5	173.7	-85.9	163.1	0	0	0	114.1	L400 N471 F687 N691	L400-L689 HydrophobicContact CD1-CD1 3.52Å; N471-L689 HydrophobicContact CB-CD2 4.47Å; F687-L689 HydrophobicContact CD1-CG 4.09Å; F687-L689 HydrophobicContact CE1-CD2 3.71Å; F687-L689 HydrophobicContact CE1-CG 3.67Å; F687-L689 HydrophobicContact CZ-CD2 4.46Å; F687-L689 PolarHBondContact O-N 3.13Å; L689-N691 VanDerWaalsContact C-N 3.25Å; L689-N691 PolarHBondContact O-N 2.76Å
690	N	43	Very low	41.1	Very low	71 Å²	71	103.7 Å²	103.7	38%	0.38	56%	0.556	S	S	.	*	G	3₁₀ helix	trans	-75.1	-8.8	-176.2	-60.9	-58.6	0	0	0	114.7	H427 N688	H427-N690 PolarHBondContact CE1-OD1 2.96Å; H427-N690 VanDerWaalsContact CE1-OD1 3.28Å; H427-N690 PolarHBondContact ND1-OD1 2.86Å; N688-N690 PolarHBondContact O-N 3.18Å; N688-N690 WeakPolarHBondContact OD1-CB 3.47Å; N688-N690 PolarHBondContact OD1-N 2.57Å; N688-N690 PolarHBondContact OD1-ND2 3.45Å
691	N	32.6	Very low	38.3	Very low	127 Å²	127	108.3 Å²	108.3	68%	0.679	59%	0.588	S	S	*	*	G	3₁₀ helix	trans	-94.5	2.8	-178.2	-90.3	9	0	0	0	114.5	N688 L689 S693	N688-N691 PolarHBondContact O-N 2.71Å; L689-N691 VanDerWaalsContact C-N 3.25Å; L689-N691 PolarHBondContact O-N 2.76Å; N691-S693 VanDerWaalsContact C-N 3.33Å; N691-S693 PolarHBondContact O-N 3.17Å
692	T	31.2	Very low	35.9	Very low	84 Å²	84	108.2 Å²	108.2	52%	0.515	60%	0.599	S	S	.	*			trans	-73	89.6	168.4	60.2	0	0	0	0	109.8
693	S	26.8	Very low	34.1	Very low	86 Å²	86	113.1 Å²	113.1	60%	0.601	63%	0.634	S	S	*	*			trans	-58.4	143.6	165.4	52.2	0	0	0	0	109.8	N691 I695	N691-S693 VanDerWaalsContact C-N 3.33Å; N691-S693 PolarHBondContact O-N 3.17Å; S693-I695 VanDerWaalsContact C-N 3.27Å; S693-I695 PolarHBondContact O-N 2.71Å
694	F	26.6	Very low	33.1	Very low	208 Å²	208	112.5 Å²	112.5	91%	0.912	63%	0.634	S	S	*	*			trans	-67.5	91.5	166.7	-78.8	-92.6	0	0	0	108.2	S696	F694-S696 PolarHBondContact O-N 3.17Å
695	I	25.7	Very low	32.4	Very low	132 Å²	132	114.2 Å²	114.2	68%	0.677	65%	0.648	S	S	*	*			trans	-73.4	78.1	170.4	-56	-178.9	0	0	0	107.7	S693 N697	S693-I695 VanDerWaalsContact C-N 3.27Å; S693-I695 PolarHBondContact O-N 2.71Å; I695-N697 PolarHBondContact O-N 3.1Å; I695-N697 VanDerWaalsContact O-N 3.09Å
696	S	26.4	Very low	32.1	Very low	106 Å²	106	117.3 Å²	117.3	74%	0.741	67%	0.666	S	S	*	*			trans	-64.8	102.2	160.5	54.9	0	0	0	0	107.7	F694 N698	F694-S696 PolarHBondContact O-N 3.17Å; S696-N698 PolarHBondContact O-N 2.81Å
697	N	25	Very low	31.7	Very low	145 Å²	145	114.3 Å²	114.3	78%	0.775	66%	0.663	S	S	*	*			trans	-56.6	109.4	175.9	-81.7	-20.7	0	0	0	110.5	I695	I695-N697 PolarHBondContact O-N 3.1Å; I695-N697 VanDerWaalsContact O-N 3.09Å
698	N	30.4	Very low	31.4	Very low	164 Å²	164	122.1 Å²	122.1	88%	0.877	69%	0.691	S	S	*	*			trans	-153.3	110.7	154.8	-103.7	-32.9	0	0	0	108.8	S696	S696-N698 PolarHBondContact O-N 2.81Å
699	S	28.1	Very low	31	Very low	117 Å²	117	122.8 Å²	122.8	82%	0.818	70%	0.703	S	S	*	*			trans	-82.5	124.7	-175.2	52.3	0	0	0	0	112.1
700	I	31	Very low	30.1	Very low	172 Å²	172	129.1 Å²	129.1	88%	0.882	74%	0.742	S	S	*	*			trans	-129.3	142.6	150.7	-64.4	-174.6	0	0	0	108.3
701	S	32	Very low	29.6	Very low	98 Å²	98	129.1 Å²	129.1	69%	0.685	76%	0.758	S	S	*	*			trans	-80.2	148.8	-166.5	53.3	0	0	0	0	115.5
702	N	27.2	Very low	29.7	Very low	153 Å²	153	130.6 Å²	130.6	82%	0.818	76%	0.761	S	S	*	*			trans	25.2	117.9	142.4	-59.5	-11.1	0	0	0	119.2
703	C	30.1	Very low	29.8	Very low	123 Å²	123	133.4 Å²	133.4	83%	0.831	77%	0.77	S	S	*	*				-167.1	118.2	110.5	-116.3	0	0	0	0	114.9
704	S	30.5	Very low	30.1	Very low	94 Å²	94	135.5 Å²	135.5	66%	0.657	77%	0.774	S	S	*	*			trans	13.9	119.4	146.2	56.3	0	0	0	0	122.1
705	T	28.8	Very low	30.5	Very low	125 Å²	125	132 Å²	132	77%	0.767	77%	0.765	S	S	*	*			trans	47.8	118.5	133.8	62.1	0	0	0	0	119.3
706	T	32	Very low	30.9	Very low	128 Å²	128	131.9 Å²	131.9	79%	0.785	77%	0.766	S	S	*	*				-170.5	144.7	67.1	35.2	0	0	0	0	114.9
707	S	29.5	Very low	31.1	Very low	102 Å²	102	132.2 Å²	132.2	71%	0.713	76%	0.764	S	S	*	*			trans	27.4	139	146.5	71.2	0	0	0	0	125.3
708	R	32.2	Very low	31.5	Very low	231 Å²	231	133.3 Å²	133.3	87%	0.872	77%	0.767	S	S	*	*			trans	102.3	107.5	146.6	-75	-179.9	176.4	179.8	-1	121.5
709	S	32.5	Very low	31.4	Very low	100 Å²	100	128.1 Å²	128.1	70%	0.699	75%	0.753	S	S	*	*				72.6	113.5	129.4	64	0	0	0	0	123.8
710	V	30.9	Very low	31.6	Very low	146 Å²	146	129.4 Å²	129.4	89%	0.885	76%	0.756	S	S	*	*				59.1	118.7	128.4	-174.6	0	0	0	0	119.6
711	G	32.2	Very low	31.6	Very low	71 Å²	71	126 Å²	126	73%	0.732	75%	0.747	S	S	*	*			trans	172.2	80.1	163.7	0	0	0	0	0	119
712	H	34.9	Very low	31.5	Very low	158 Å²	158	126.5 Å²	126.5	73%	0.731	75%	0.749	S	S	*	*			trans	42.3	119.2	145.1	-83.3	61.9	0	0	0	123.5
713	M	32.5	Very low	31.7	Very low	142 Å²	142	126.5 Å²	126.5	70%	0.7	75%	0.749	S	S	*	*				65.3	125.6	127.6	-64.3	-170	-175.2	0	0	123.9
714	N	33.3	Very low	31.7	Very low	130 Å²	130	127.5 Å²	127.5	70%	0.695	75%	0.747	S	S	*	*			trans	56.8	118.8	131.3	-50	-8.7	0	0	0	118.9
715	N	35	Very low	31.7	Very low	134 Å²	134	128.2 Å²	128.2	72%	0.717	75%	0.751	S	S	*	*				-176.5	144.2	65.4	-106.2	-31.6	0	0	0	114.5
716	N	33.6	Very low	31.7	Very low	131 Å²	131	129.5 Å²	129.5	70%	0.701	75%	0.752	S	S	*	*			trans	53	129.9	135.6	-64.5	-15.2	0	0	0	125.4
717	T	32.6	Very low	31.7	Very low	113 Å²	113	131.1 Å²	131.1	69%	0.693	75%	0.754	S	S	*	*			trans	80.1	119.1	132.2	49.4	0	0	0	0	123.7
718	I	31.3	Very low	31.7	Very low	167 Å²	167	132.9 Å²	132.9	86%	0.856	76%	0.756	S	S	*	*			trans	65.9	131.7	133.3	-56.1	164.6	0	0	0	117.3
719	G	30.3	Very low	31.7	Very low	55 Å²	55	129.5 Å²	129.5	57%	0.567	76%	0.755	S	S	*	*			cis	155.5	172.7	-1.2	0	0	0	0	0	111.5
720	T	31.4	Very low	31.6	Very low	145 Å²	145	131.9 Å²	131.9	89%	0.89	76%	0.76	S	S	*	*			trans	63.4	152.3	175.2	60.1	0	0	0	0	117
721	S	31.7	Very low	31.5	Very low	99 Å²	99	129.7 Å²	129.7	69%	0.692	75%	0.751	S	S	*	*			cis	-163.4	148	-16.1	46	0	0	0	0	111.9
722	C	28.3	Very low	31.4	Very low	109 Å²	109	134.7 Å²	134.7	74%	0.736	76%	0.76	S	S	*	*			trans	24	128.5	146.4	-50.2	0	0	0	0	121.4
723	N	32.2	Very low	31.1	Very low	153 Å²	153	130.6 Å²	130.6	82%	0.818	76%	0.761	S	S	*	*				-176.1	164.1	99.6	-95.7	-34.5	0	0	0	116.5
724	N	29.8	Very low	31	Very low	145 Å²	145	131.9 Å²	131.9	78%	0.775	77%	0.77	S	S	*	*			trans	-73.6	150.9	-170.7	-45.1	-44.6	0	0	0	116.4
725	S	31.7	Very low	30.8	Very low	108 Å²	108	130.1 Å²	130.1	76%	0.755	77%	0.768	S	S	*	*				176.4	107.9	117.2	56.4	0	0	0	0	110.9
726	I	28.6	Very low	30.7	Very low	152 Å²	152	133 Å²	133	78%	0.779	78%	0.779	S	S	*	*				47.7	110.4	96.6	-50.7	172.2	0	0	0	114.5
727	I	32	Very low	30.5	Very low	162 Å²	162	132.4 Å²	132.4	83%	0.831	78%	0.78	S	S	*	*				-173.1	149.7	125.2	-95.8	160.6	0	0	0	108
728	N	28.6	Very low	30.4	Very low	139 Å²	139	134.4 Å²	134.4	74%	0.743	79%	0.787	S	S	*	*			trans	-87.5	162.7	179.2	-49.7	-29.8	0	0	0	111.2
729	D	32.2	Very low	30.5	Very low	161 Å²	161	130.9 Å²	130.9	86%	0.861	78%	0.777	S	S	*	*				-165.7	164.5	115	-102.3	-10.3	0	0	0	112
730	D	29.7	Very low	30.6	Very low	150 Å²	150	135.7 Å²	135.7	80%	0.802	79%	0.788	S	S	*	*			trans	-78.8	159.3	-167.8	-71.4	-59.7	0	0	0	115.5
731	S	29.6	Very low	30.4	Very low	100 Å²	100	138.3 Å²	138.3	70%	0.699	79%	0.788	S	S	*	*				133	136.8	115.5	73.1	0	0	0	0	117.9
732	L	30.3	Very low	30.6	Very low	175 Å²	175	138.8 Å²	138.8	92%	0.916	79%	0.788	S	S	*	*			trans	63	121.9	149.6	-63.3	160.9	0	0	0	120.7
733	G	28.3	Very low	30.8	Very low	73 Å²	73	139.9 Å²	139.9	75%	0.753	79%	0.794	S	S	*	*			trans	168.2	70.4	157.9	0	0	0	0	0	121
734	L	31.2	Very low	30.9	Very low	168 Å²	168	136.3 Å²	136.3	88%	0.88	79%	0.793	S	S	*	*			trans	55	87.7	144.3	-61	169.8	0	0	0	121.1
735	S	28	Very low	30.9	Very low	94 Å²	94	137.7 Å²	137.7	66%	0.657	80%	0.799	S	S	*	*				19.8	137.5	125.2	61.3	0	0	0	0	122.4
736	M	32.6	Very low	31.1	Very low	194 Å²	194	138 Å²	138	96%	0.956	80%	0.799	S	S	*	*				-138.7	148.4	122.7	-122	-178.8	-70.1	0	0	109.8
737	T	29.1	Very low	31.3	Very low	118 Å²	118	139 Å²	139	72%	0.724	80%	0.804	S	S	*	*			trans	-138.7	144.1	-167.3	51.4	0	0	0	0	111.8
738	D	32.1	Very low	31	Very low	155 Å²	155	136.4 Å²	136.4	83%	0.829	80%	0.801	S	S	*	*			trans	-176.6	148.2	147.1	-94.8	-23.3	0	0	0	109.8
739	S	32.6	Very low	31.2	Very low	94 Å²	94	136.7 Å²	136.7	66%	0.657	81%	0.808	S	S	*	*			cis	-156.5	134.6	-12.9	39.2	0	0	0	0	113.6
740	I	31.8	Very low	30.9	Very low	155 Å²	155	134.8 Å²	134.8	80%	0.795	80%	0.802	S	S	*	*			trans	59.4	109.2	140.8	-53.8	166.9	0	0	0	120.7
741	F	28.1	Very low	30.9	Very low	201 Å²	201	134 Å²	134	88%	0.882	80%	0.797	S	S	*	*			trans	-101	152.3	138.4	-101.3	-87.7	0	0	0	109.2
742	P	35.6	Very low	30.9	Very low	109 Å²	109	136.9 Å²	136.9	71%	0.708	80%	0.8	S	S	*	*			trans	-108.1	122.9	163.3	34.4	-25.5	0	0	0	112.7
743	P	32	Very low	30.7	Very low	132 Å²	132	138.3 Å²	138.3	86%	0.857	80%	0.795	S	S	*	*			trans	-86.2	148.1	170.8	33.6	-33	0	0	0	112.5
744	G	34.5	Very low	30.8	Very low	77 Å²	77	144.4 Å²	144.4	79%	0.794	80%	0.801	S	S	*	*			trans	-127.5	131	179.8	0	0	0	0	0	113.1
745	L	31.1	Very low	30.8	Very low	174 Å²	174	144 Å²	144	91%	0.911	79%	0.794	S	S	*	*			trans	-71.7	160.1	-169.2	-78.9	156.4	0	0	0	115.2
746	P	35.2	Very low	30.9	Very low	115 Å²	115	146.8 Å²	146.8	75%	0.747	80%	0.802	S	S	*	*			trans	-88.4	157.6	-173.1	36.2	-36.8	0	0	0	114.3
747	I	32.8	Very low	31	Very low	172 Å²	172	144.9 Å²	144.9	88%	0.882	79%	0.794	S	S	*	*			trans	-131.5	137.7	160.9	-62.3	-179.3	0	0	0	108.6
748	S	26.5	Very low	31.1	Very low	109 Å²	109	145.6 Å²	145.6	76%	0.762	79%	0.793	S	S	*	*			trans	-96.4	136.4	-178.2	57.7	0	0	0	0	113
749	T	32.3	Very low	31.3	Very low	145 Å²	145	144.7 Å²	144.7	89%	0.89	79%	0.788	S	S	*	*			trans	-140.8	132.8	149.5	21.3	0	0	0	0	110.9
750	T	25.9	Very low	31.3	Very low	121 Å²	121	146.5 Å²	146.5	74%	0.742	79%	0.79	S	S	*	*			trans	-74.6	144.7	177.7	44.9	0	0	0	0	112.6
751	N	29.8	Very low	31.5	Very low	132 Å²	132	146.2 Å²	146.2	71%	0.706	79%	0.791	S	S	*	*			trans	143.1	144.9	139.9	-75.1	-18.2	0	0	0	112.1
752	Q	29.5	Very low	31.8	Very low	161 Å²	161	141.2 Å²	141.2	75%	0.752	78%	0.78	S	S	*	*			cis	-156.4	164.9	-21.6	-126.3	172.2	9.2	0	0	108.8
753	Y	25.8	Very low	31.8	Very low	206 Å²	206	141.2 Å²	141.2	81%	0.808	78%	0.783	S	S	*	*			trans	-58	144	175.1	-75.8	-104.2	0	0	0	112.6
754	F	30.2	Very low	31.9	Very low	201 Å²	201	139.6 Å²	139.6	88%	0.882	78%	0.775	S	S	*	*			trans	-137.3	108	146.4	-101.1	-77.4	0	0	0	111.8
755	H	31.5	Very low	32	Very low	159 Å²	159	141.4 Å²	141.4	74%	0.736	78%	0.776	S	S	*	*			trans	-77.4	133.4	157.2	-104.8	-72.1	0	0	0	108.2
756	N	30.2	Very low	32.3	Very low	152 Å²	152	138 Å²	138	81%	0.813	77%	0.766	S	S	*	*			trans	-81.3	119.8	165.6	-103.1	-15.8	0	0	0	110
757	I	33.7	Very low	32.4	Very low	154 Å²	154	138.9 Å²	138.9	79%	0.79	77%	0.765	S	S	*	*			trans	-130.8	134.3	161.1	-64.2	-177.5	0	0	0	107.1
758	N	32.8	Very low	32.5	Very low	134 Å²	134	137.4 Å²	137.4	72%	0.717	76%	0.759	S	S	*	*			trans	-82.2	168.7	-169.1	-80.2	-25.7	0	0	0	114.6
759	N	34.6	Very low	32.9	Very low	135 Å²	135	137.1 Å²	137.1	72%	0.722	76%	0.757	S	S	*	*			trans	89.4	100.3	157	-60.3	-24.3	0	0	0	119.1
760	N	33.4	Very low	32.9	Very low	132 Å²	132	137 Å²	137	71%	0.706	76%	0.756	S	S	*	*				49.7	115.4	118.5	-52.9	-12.2	0	0	0	119.2
761	N	35.4	Very low	33.3	Very low	150 Å²	150	135.3 Å²	135.3	80%	0.802	76%	0.762	S	S	*	*				-171.8	136.2	94.3	-97.2	-30.9	0	0	0	115.8
762	S	34.7	Very low	33.4	Very low	95 Å²	95	134.2 Å²	134.2	66%	0.664	77%	0.765	S	S	*	*			trans	45.8	130.2	142.8	65.4	0	0	0	0	123.7
763	S	34.9	Very low	33.7	Very low	110 Å²	110	134.3 Å²	134.3	77%	0.769	77%	0.771	S	S	*	*			trans	66.6	146.4	140.9	49.8	0	0	0	0	120
764	S	35.4	Very low	33.9	Very low	98 Å²	98	129.4 Å²	129.4	69%	0.685	77%	0.766	S	S	*	*			cis	-172.5	152.9	-6.2	44.4	0	0	0	0	111.7
765	S	36.3	Very low	34	Very low	115 Å²	115	126.9 Å²	126.9	80%	0.804	76%	0.761	S	S	*	*			trans	61.8	156	163.2	70	0	0	0	0	116.9
766	S	37.7	Very low	34	Very low	102 Å²	102	124.7 Å²	124.7	71%	0.713	76%	0.763	S	S	*	*			cis	-162.8	-177	-24.6	56.9	0	0	0	0	106.9
767	N	36.7	Very low	33.8	Very low	133 Å²	133	125.9 Å²	125.9	71%	0.711	76%	0.764	S	S	*	*			cis	-157.7	-166.1	11.7	-150.5	-14.8	0	0	0	111.6
768	N	34.4	Very low	33.7	Very low	142 Å²	142	124.4 Å²	124.4	76%	0.759	77%	0.768	S	S	*	*			trans	-46	164.7	169.1	-53.2	-36.6	0	0	0	115.6
769	S	35.2	Very low	33.3	Very low	103 Å²	103	124.2 Å²	124.2	72%	0.72	77%	0.765	S	S	*	*			cis	-155.9	143.2	24.8	58.2	0	0	0	0	116.6
770	T	32.2	Very low	33.2	Very low	142 Å²	142	124.6 Å²	124.6	87%	0.871	77%	0.766	S	S	*	*			trans	5.7	129.2	150.1	55.2	0	0	0	0	121.3
771	G	34.9	Very low	33	Very low	85 Å²	85	128.1 Å²	128.1	88%	0.876	77%	0.769	S	S	*	*			trans	-164.1	110.4	156.9	0	0	0	0	0	111
772	S	32.7	Very low	32.7	Very low	109 Å²	109	128 Å²	128	76%	0.762	77%	0.768	S	S	*	*			trans	-106.9	142	-166.2	56.1	0	0	0	0	114.5
773	N	34.4	Very low	32.4	Very low	164 Å²	164	130.7 Å²	130.7	88%	0.877	78%	0.775	S	S	*	*			trans	-158.5	164.4	138.2	-103.1	-27.9	0	0	0	112.3
774	S	31.2	Very low	32.5	Very low	102 Å²	102	131.1 Å²	131.1	71%	0.713	77%	0.774	S	S	*	*			trans	-80.8	171.3	-169.9	48.2	0	0	0	0	112.8
775	I	31.9	Very low	32.2	Very low	149 Å²	149	133.6 Å²	133.6	76%	0.764	78%	0.78	S	S	*	*				-159.1	156.5	57.3	-79.5	177.8	0	0	0	112
776	S	30.3	Very low	32	Very low	113 Å²	113	133.6 Å²	133.6	79%	0.79	78%	0.78	S	S	*	*			trans	72.6	98.4	167	-69.9	0	0	0	0	120
777	Q	27	Very low	31.5	Very low	176 Å²	176	134.5 Å²	134.5	82%	0.822	78%	0.782	S	S	*	*			trans	-128.8	151.4	144	-82.8	-171.1	-15.7	0	0	109
778	S	31	Very low	31.3	Very low	124 Å²	124	137.2 Å²	137.2	87%	0.867	79%	0.787	S	S	*	*			trans	-124.7	108	169.8	54.6	0	0	0	0	110.7
779	I	25.8	Very low	31.1	Very low	129 Å²	129	137.6 Å²	137.6	66%	0.662	79%	0.788	S	S	*	*			trans	-130.1	119	178.2	-60	167.1	0	0	0	109.2
780	I	30.7	Very low	30.7	Very low	144 Å²	144	138 Å²	138	74%	0.738	79%	0.79	S	S	*	*			trans	-149.5	107.1	162.4	-74.1	-160.4	0	0	0	107
781	R	30.5	Very low	30.7	Very low	206 Å²	206	137.1 Å²	137.1	78%	0.777	79%	0.79	S	S	*	*				64.8	117.5	95.5	-61.8	165.5	-174	176.1	1.9	113.7
782	N	28.1	Very low	30.4	Very low	146 Å²	146	139.7 Å²	139.7	78%	0.781	79%	0.789	S	S	*	*				82.1	102.3	65.8	-86.1	-3.9	0	0	0	115.9
783	L	29.9	Very low	30.5	Very low	153 Å²	153	140.6 Å²	140.6	80%	0.801	80%	0.795	S	S	*	*			trans	64.3	169.5	144.4	-72.6	166.9	0	0	0	117.7
784	P	35.4	Very low	30.3	Very low	118 Å²	118	137.9 Å²	137.9	77%	0.766	79%	0.789	S	S	*	*			cis	-132.6	-174.6	10.6	44.3	-27.6	0	0	0	116.9
785	N	29.9	Very low	30.5	Very low	151 Å²	151	139.9 Å²	139.9	81%	0.807	80%	0.798	S	S	*	*			trans	-63.6	151.8	167.2	-57.2	-26.9	0	0	0	112.9
786	S	33.1	Very low	30.5	Very low	115 Å²	115	138.4 Å²	138.4	80%	0.804	80%	0.8	S	S	*	*			trans	-153	140	148.2	61.5	0	0	0	0	112.6
787	T	27.1	Very low	30.7	Very low	121 Å²	121	136.9 Å²	136.9	74%	0.742	80%	0.803	S	S	*	*			trans	-116.8	127.5	176.1	47.8	0	0	0	0	110.3
788	F	31.8	Very low	30.9	Very low	190 Å²	190	133.9 Å²	133.9	83%	0.833	80%	0.801	S	S	*	*			trans	-140.9	126.5	159.4	-80.1	-86.7	0	0	0	106.5
789	I	30.2	Very low	31	Very low	149 Å²	149	134.4 Å²	134.4	76%	0.764	80%	0.799	S	S	*	*			cis	72.4	123.7	46.7	-56	-178.5	0	0	0	112.3
790	S	27.3	Very low	31.2	Very low	111 Å²	111	135.7 Å²	135.7	78%	0.776	81%	0.806	S	S	*	*			trans	-74.5	151.3	-168.1	53.9	0	0	0	0	115.8
791	S	32.4	Very low	31.4	Very low	124 Å²	124	135.5 Å²	135.5	87%	0.867	81%	0.811	S	S	*	*			trans	-149.3	147.7	143.4	61.2	0	0	0	0	111.4
792	T	28.6	Very low	31.5	Very low	139 Å²	139	129.6 Å²	129.6	85%	0.853	81%	0.807	S	S	*	*			trans	-108.2	137.6	-178	51	0	0	0	0	111.4
793	S	33.6	Very low	31.8	Very low	128 Å²	128	129.1 Å²	129.1	90%	0.895	81%	0.809	S	S	*	*			trans	-161.5	148.7	147	55.1	0	0	0	0	112.3
794	S	31.5	Very low	32	Very low	107 Å²	107	127.7 Å²	127.7	75%	0.748	81%	0.807	S	S	*	*			trans	-101.7	155.5	178.6	53.4	0	0	0	0	111.7
795	T	34.7	Very low	32.1	Very low	145 Å²	145	127 Å²	127	89%	0.89	81%	0.805	S	S	*	*				-163.6	157.6	127.2	8.3	0	0	0	0	112.5
796	S	32.4	Very low	32.4	Very low	117 Å²	117	126.9 Å²	126.9	82%	0.818	80%	0.804	S	S	*	*			trans	-83	153.4	-175.5	51.5	0	0	0	0	114.2
797	G	34.5	Very low	32.6	Very low	82 Å²	82	126.4 Å²	126.4	85%	0.845	80%	0.796	S	S	*	*			trans	-162.4	87.8	167.7	0	0	0	0	0	113.2
798	S	30.4	Very low	33.1	Very low	112 Å²	112	127.8 Å²	127.8	78%	0.783	80%	0.799	S	S	*	*			trans	-102	133	-178.8	57.3	0	0	0	0	112.7
799	T	33.4	Very low	33.2	Very low	135 Å²	135	124.2 Å²	124.2	83%	0.828	80%	0.797	S	S	*	*			trans	-133	130.8	167.1	-54.2	0	0	0	0	109.9
800	I	30.2	Very low	33.5	Very low	157 Å²	157	120.4 Å²	120.4	81%	0.805	80%	0.795	S	S	*	*			trans	-114.6	136.9	175.9	-62.7	170.4	0	0	0	108.4
801	T	34.3	Very low	33.8	Very low	139 Å²	139	123.5 Å²	123.5	85%	0.853	80%	0.797	S	S	*	*			trans	-138.8	138.7	161	-32.7	0	0	0	0	108.6
802	A	31.9	Very low	33.8	Very low	82 Å²	82	124.1 Å²	124.1	68%	0.678	79%	0.788	S	S	*	*			trans	-139.3	154.4	-171.3	0	0	0	0	0	112.4
803	T	35.8	Very low	34	Very low	136 Å²	136	123.3 Å²	123.3	83%	0.834	78%	0.778	S	S	*	*			trans	-151.7	78.7	173.3	7.4	0	0	0	0	113.4
804	T	34.1	Very low	33.8	Very low	123 Å²	123	124 Å²	124	76%	0.755	77%	0.771	S	S	*	*			trans	41.4	152.7	130.9	55.9	0	0	0	0	124.4
805	S	36.7	Very low	33.9	Very low	103 Å²	103	124.6 Å²	124.6	72%	0.72	78%	0.775	S	S	*	*			trans	90.3	136.8	152.5	88.3	0	0	0	0	115.8
806	L	36.5	Very low	33.6	Very low	150 Å²	150	122.3 Å²	122.3	79%	0.785	77%	0.765	S	S	*	*			cis	-149.6	168	-3.6	-73.3	107.1	0	0	0	108
807	T	37.3	Very low	33.7	Very low	105 Å²	105	123.3 Å²	123.3	64%	0.644	77%	0.766	S	S	*	*			cis	-170.1	162.2	-20.6	31.4	0	0	0	0	109.2
808	N	36.7	Very low	33.4	Very low	149 Å²	149	130.8 Å²	130.8	80%	0.797	77%	0.769	S	S	*	*			trans	69.6	150.7	159.7	-66	-5.8	0	0	0	119.4
809	S	35	Very low	33.4	Very low	115 Å²	115	129.9 Å²	129.9	80%	0.804	76%	0.762	S	S	*	*			cis	-173.7	137.1	-24.6	53	0	0	0	0	111.6
810	G	35.8	Very low	33.2	Very low	69 Å²	69	130.8 Å²	130.8	71%	0.711	76%	0.762	S	S	*	*			trans	134.7	99.8	172.8	0	0	0	0	0	112
811	Q	33.7	Very low	33.4	Very low	176 Å²	176	128.6 Å²	128.6	82%	0.822	76%	0.761	S	S	*	*				64.8	127.2	88.8	-69.3	-167.7	-14.1	0	0	114.2
812	M	33	Very low	33.3	Very low	137 Å²	137	128.4 Å²	128.4	68%	0.675	76%	0.76	S	S	*	*			cis	-158	150.6	2.9	-129.8	-170.9	-59.7	0	0	113.4
813	N	32.3	Very low	33	Very low	122 Å²	122	133.6 Å²	133.6	65%	0.652	77%	0.767	S	S	*	*			trans	40.7	117.5	154.8	-55.1	-14.7	0	0	0	120.3
814	I	29.7	Very low	32.8	Very low	144 Å²	144	134.2 Å²	134.2	74%	0.738	77%	0.765	S	S	*	*				79.5	106.7	50.9	-59.7	163.7	0	0	0	114.4
815	S	33.9	Very low	32.7	Very low	118 Å²	118	141.1 Å²	141.1	83%	0.825	79%	0.785	S	S	*	*				-175.4	163.8	117.6	50.8	0	0	0	0	111.9
816	S	28.4	Very low	32.5	Very low	98 Å²	98	143.1 Å²	143.1	69%	0.685	79%	0.788	S	S	*	*				174.2	99.5	-76.6	57.1	0	0	0	0	110.8
817	T	34.6	Very low	32.3	Very low	138 Å²	138	142.7 Å²	142.7	85%	0.847	79%	0.788	S	S	*	*			trans	-148.1	126.9	166.4	34.1	0	0	0	0	105.9
818	R	28.7	Very low	32	Very low	239 Å²	239	144.8 Å²	144.8	90%	0.902	80%	0.796	S	S	*	*			cis	56.7	126.9	45.5	-73.9	-168.6	172.5	-174	-1.3	113.1
819	S	30	Very low	31.7	Very low	93 Å²	93	144.5 Å²	144.5	65%	0.65	80%	0.796	S	S	*	*			cis	-174.1	159.5	0.8	44.6	0	0	0	0	112.7
820	N	28.9	Very low	31.5	Very low	154 Å²	154	146.4 Å²	146.4	82%	0.824	80%	0.796	S	S	*	*			trans	55.4	104.5	149.9	-59.3	1.9	0	0	0	120.9
821	S	33.5	Very low	31.2	Very low	111 Å²	111	151.5 Å²	151.5	78%	0.776	80%	0.801	S	S	*	*				-170.3	115.1	117.8	49	0	0	0	0	109.6
822	T	32	Very low	31.1	Very low	135 Å²	135	149.8 Å²	149.8	83%	0.828	80%	0.8	S	S	*	*				84.7	113.5	82.3	-54.8	0	0	0	0	113.3
823	F	27	Very low	30.9	Very low	191 Å²	191	150.8 Å²	150.8	84%	0.838	81%	0.809	S	S	*	*			trans	-34.4	147.6	171	-71.1	-98.9	0	0	0	116.9
824	L	30.9	Very low	30.8	Very low	148 Å²	148	153.2 Å²	153.2	78%	0.775	82%	0.822	S	S	*	*				-168.3	133.6	97.2	-99.4	167.3	0	0	0	113.7
825	F	32.1	Very low	30.9	Very low	269 Å²	269	154 Å²	154	100%	1.18	83%	0.83	S	S	*	*			trans	68.7	0	-178.2	-68	-77.8	0	0	0	117.5

Retrieved 825 of 825 residues in 240.9 ms (Link to these results)

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