A0A087X875_POEFO Loading...

Histone deacetylase

Responsible for the deacetylation of lysine residues on the N-terminal part of the core histones (H2A, H2B, H3 and H4). Histone deacetylation gives a tag for epigenetic repression and plays an important role in transcriptional regulation, cell cycle progression and developmental events.

AlphaFold DB , UniProt , Accession A0A087X875, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 1,096 aa.

						>A0A087X875_POEFO|A0A087X875
MNSHSRQVDVSTAALPSQVPSAASAILPMDLRVVDHPHHHHQQPPFGLVSQPHPTPAPSTACPASSELGNGPVAGRQDQHLQQELVALKHKQELQRQLLIAEFHRQHEQLSRQHEVQLQEHIKHQQDLLALKHQQELLEHHRKMEQQRHEQQLEKQQREQKLQQLKNKERGQESAVASTEVKMRLQEFVLNKKKALAQRNLNHCLPSDPRYWYGKTQHSSLDQSSPPQAALSAYTHPVLGAFDSKDDFPLRKTASEPNLKRRSWLKQKVTERRSSPLLRRKDGPITTAKKRSLDIADSACNSAPGSGPSSPNNSSSNIPSENGIPISTSPGEASLIQRLATRDGPLSQLSLYTSPSLPNITLGLPASGPANSVVSGHQDGESHLALPALQPGIPLAPAFLPTSHLPSYLASSALDRDGPGGGAAGHNPLLQHMVLMEQSHSSMVGLGGLPLPSPTVSKLVRGHRPLGRTQSAPLPQQPCGQAQALQQLVVQQQHQQFLEKHKQLFQQQQPPHIINKIMSKPGDPVSAASSGASVLGRQHQSHPEETEEELREHQGLTSSSSSSSTSSGPETGLIRGLVIKQEPPDLQEQEEREQRDQRERQAEQDFMFKQQAMLLEQQRIHQLRSYRASMEAAGLPVSIAAHRPLSRTQSSPASASFPIVVPEPPVKHRFTTGLVYDSLMQKHQCICGNATIHPEHAGRIQSIWSRLQETGLRAQCECIRGRKASQEELQTVHSEPHVQLYGTNPLRQKLDCAVNPMFVRLPCGGIGVDSDTIWNEIHSSTAARLAVGSVVELVFKVATGELKNGFAVVRPPGHHAEESTPMGFCYFNSVAIAAKLLQQRLNVSKILIVDWDVHHGNGTQQAFYTDPSVLYLSLHRYDDGNFFPGSGAPDEVGSGAGVGFNVNMAFTGGLEPPMGDAEYLAAFRTVVMPIANEFAPDVVLVSSGFDAVDGHAPPLGGYKLTAKCFSYLTRQLMGLAGGRLVLALEGGHDLTAICDASEACISALLGNELDPIPYEVLQQKPNANAVRSMEKVIEVQSKYWRSLQRSASTLGWSLNEALQRDVEEAETVSAMASLSVANKHIGKRAEEEPMEEEAPM
					

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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	33.8	Very low	29.8	Very low	226 Å²	226	147.7 Å²	147.7	100%	1.113	79%	0.785	S	S	*	*				0	92.4	0	-68.1	173.8	169.9	0	0	105.6
2	N	28.8	Very low	29.7	Very low	153 Å²	153	146.1 Å²	146.1	82%	0.818	79%	0.785	S	S	*	*				70.6	125.1	58.6	-56.8	42.4	0	0	0	110
3	S	30.2	Very low	29.4	Very low	88 Å²	88	142.2 Å²	142.2	62%	0.615	79%	0.785	S	S	*	*			cis	-156	-175.8	-7.3	-60.3	0	0	0	0	108.5
4	H	34.1	Very low	29.3	Very low	162 Å²	162	138.6 Å²	138.6	75%	0.75	78%	0.784	S	S	*	*			cis	-143.6	150.3	4.1	-100.4	-56.3	0	0	0	107.9
5	S	31.2	Very low	29.4	Very low	93 Å²	93	140.4 Å²	140.4	65%	0.65	79%	0.789	S	S	*	*				33.7	138	93.7	78.3	0	0	0	0	117
6	R	30.5	Very low	30.1	Very low	237 Å²	237	139.6 Å²	139.6	89%	0.894	79%	0.791	S	S	*	*			cis	-143.6	169.8	48.1	-70.8	178.6	168.4	-177.2	-5.4	115.5
7	Q	28.4	Very low	30	Very low	180 Å²	180	137.4 Å²	137.4	84%	0.841	79%	0.787	S	S	*	*			trans	-114.6	-161	171.8	-58.8	163.2	-91.7	0	0	110.1
8	V	29.1	Very low	29.7	Very low	125 Å²	125	140.2 Å²	140.2	76%	0.758	79%	0.792	S	S	*	*			trans	80.7	133.6	160.8	-171.7	0	0	0	0	114.5
9	D	26.5	Very low	30	Very low	132 Å²	132	139.7 Å²	139.7	71%	0.706	79%	0.792	S	S	*	*			cis	-151	158.1	-13.3	-106	-6.2	0	0	0	107.6
10	V	28.7	Very low	30.4	Very low	121 Å²	121	138.7 Å²	138.7	73%	0.733	79%	0.791	S	S	*	*				72.8	131.4	60.7	-172.1	0	0	0	0	115.2
11	S	26.4	Very low	30.3	Very low	108 Å²	108	137.2 Å²	137.2	76%	0.755	79%	0.79	S	S	*	*			trans	86.8	155.3	175	-55.2	0	0	0	0	118.6
12	T	28.3	Very low	30.2	Very low	128 Å²	128	130.9 Å²	130.9	79%	0.785	77%	0.773	S	S	*	*			cis	-173.5	162.1	-26.2	-82.6	0	0	0	0	108
13	A	26.8	Very low	30.3	Very low	95 Å²	95	127.8 Å²	127.8	79%	0.785	77%	0.769	S	S	*	*			trans	72.1	155.9	166.2	0	0	0	0	0	117.8
14	A	27	Very low	30.1	Very low	93 Å²	93	129.5 Å²	129.5	77%	0.769	78%	0.781	S	S	*	*			cis	-161.5	169.9	-20.3	0	0	0	0	0	110.7
15	L	30.6	Very low	30	Very low	165 Å²	165	125.8 Å²	125.8	86%	0.864	78%	0.778	S	S	*	*			trans	-68.7	159.5	167.8	-68.7	164.8	0	0	0	111.3
16	P	40.6	Very low	29.8	Very low	127 Å²	127	129 Å²	129	83%	0.825	79%	0.786	S	S	*	*				-135	165	95.6	38	-28.6	0	0	0	114.7
17	S	28.4	Very low	29.6	Very low	103 Å²	103	125 Å²	125	72%	0.72	78%	0.782	S	S	*	*			trans	-87.4	164.3	176.7	52.4	0	0	0	0	112.9
18	Q	25.8	Very low	30.3	Very low	187 Å²	187	121.9 Å²	121.9	87%	0.874	78%	0.777	S	S	*	*			trans	-158.9	140.1	130.5	-113.4	169	51.7	0	0	112.7
19	V	35.4	Very low	30.2	Very low	131 Å²	131	124.9 Å²	124.9	79%	0.794	79%	0.785	S	S	*	*			trans	-143.1	128.3	174	171.8	0	0	0	0	105.7
20	P	37.6	Very low	30.3	Very low	120 Å²	120	125.6 Å²	125.6	78%	0.779	79%	0.789	S	S	*	*				-146.1	177	118	35.4	-19.4	0	0	0	114.2
21	S	29	Very low	30.2	Very low	108 Å²	108	126.4 Å²	126.4	76%	0.755	79%	0.789	S	S	*	*			cis	168.1	163.1	-36.7	-169.2	0	0	0	0	108.2
22	A	31.1	Very low	30.3	Very low	93 Å²	93	131 Å²	131	77%	0.769	79%	0.789	S	S	*	*			trans	74.5	151.2	155.2	0	0	0	0	0	119.8
23	A	29.8	Very low	30.3	Very low	88 Å²	88	131.7 Å²	131.7	73%	0.727	79%	0.793	S	S	*	*			cis	-171.6	149	-25.6	0	0	0	0	0	111.1
24	S	27.2	Very low	30.4	Very low	123 Å²	123	133.1 Å²	133.1	86%	0.86	79%	0.792	S	S	*	*			trans	177.2	141	135.9	-78.5	0	0	0	0	109.6
25	A	30.8	Very low	30.3	Very low	85 Å²	85	135 Å²	135	70%	0.702	79%	0.789	S	S	*	*			cis	144.7	160.5	-21.7	0	0	0	0	0	109.5
26	I	27.4	Very low	30.3	Very low	159 Å²	159	134.6 Å²	134.6	82%	0.815	78%	0.782	S	S	*	*			trans	73.4	137.7	175.1	-59.6	172.3	0	0	0	114.9
27	L	27.2	Very low	30.7	Very low	154 Å²	154	132.5 Å²	132.5	81%	0.806	77%	0.769	S	S	*	*			cis	-158.1	152.7	-27	-100.5	-177.9	0	0	0	107.8
28	P	42.5	Very low	30.7	Very low	114 Å²	114	134.9 Å²	134.9	74%	0.74	77%	0.768	S	S	*	*			trans	-93	167.1	172.2	37.5	-34.3	0	0	0	113.5
29	M	26.3	Very low	30.8	Very low	188 Å²	188	132.1 Å²	132.1	93%	0.926	76%	0.755	S	S	*	*			trans	-143.9	137.9	168.5	-96.4	-69.3	177.7	0	0	111.8
30	D	29.1	Very low	30.4	Very low	147 Å²	147	132.4 Å²	132.4	79%	0.786	75%	0.748	S	S	*	*			trans	-81.5	165.1	173.3	-97.6	-60.7	0	0	0	112.8
31	L	27.9	Very low	30.1	Very low	138 Å²	138	133 Å²	133	72%	0.723	74%	0.74	S	S	*	*				179.9	103.3	122.5	-95.5	163.4	0	0	0	114.7
32	R	27.2	Very low	30	Very low	205 Å²	205	135.4 Å²	135.4	77%	0.774	74%	0.739	S	S	*	*			trans	42.3	124.1	138.4	-61.6	173.6	-170.8	163.2	1.5	122.1
33	V	28.6	Very low	29.8	Very low	142 Å²	142	140 Å²	140	86%	0.861	74%	0.744	S	S	*	*				-139.1	103.4	113.5	-175.9	0	0	0	0	105.4
34	V	28.5	Very low	30.6	Very low	126 Å²	126	141 Å²	141	76%	0.764	74%	0.743	S	S	*	*				62.2	133.8	88.4	-176.2	0	0	0	0	113.3
35	D	26.5	Very low	31.7	Very low	132 Å²	132	139.7 Å²	139.7	71%	0.706	73%	0.732	S	S	*	*			trans	-143.8	164.3	-153.1	-165	-1.6	0	0	0	112.4
36	H	30.7	Very low	31.7	Very low	156 Å²	156	145.4 Å²	145.4	72%	0.722	74%	0.741	S	S	*	*			trans	71.4	162.8	161.9	-88.2	44.9	0	0	0	119.4
37	P	48.8	Very low	31.9	Very low	83 Å²	83	141 Å²	141	54%	0.539	74%	0.736	S	S	.	*			cis	-142.1	-178.6	-12.4	28.1	-3.8	0	0	0	117.6
38	H	26.8	Very low	32.2	Very low	154 Å²	154	142.2 Å²	142.2	71%	0.713	74%	0.742	S	S	*	*			trans	78.3	144.9	154.5	-54.7	-42.6	0	0	0	120.1
39	H	28.4	Very low	31.6	Very low	129 Å²	129	142.7 Å²	142.7	60%	0.597	74%	0.742	S	S	*	*			cis	-162.3	145	-16	-120.4	-55.6	0	0	0	112.7
40	H	28.2	Very low	31.9	Very low	137 Å²	137	138.5 Å²	138.5	63%	0.634	73%	0.732	S	S	*	*			trans	63.6	155.3	151.2	-68.9	-37.8	0	0	0	119.8
41	H	29.6	Very low	32	Very low	133 Å²	133	140.1 Å²	140.1	62%	0.616	74%	0.735	S	S	*	*			cis	-154.6	158.9	-2.9	-121.1	-31.5	0	0	0	112.8
42	Q	26.9	Very low	33	Very low	157 Å²	157	138.6 Å²	138.6	73%	0.734	73%	0.733	S	S	*	*			trans	47.4	108.6	145.4	-69.9	163.4	-1.2	0	0	122.1
43	Q	26.7	Very low	33.2	Very low	190 Å²	190	137.8 Å²	137.8	89%	0.888	74%	0.738	S	S	*	*				42.8	161.9	107	-87.1	-157.4	-18.9	0	0	123
44	P	46.9	Very low	34	Very low	108 Å²	108	136.8 Å²	136.8	70%	0.701	73%	0.734	S	S	*	*			trans	-100.2	-153.6	-144.5	46.9	-43.2	0	0	0	112.6
45	P	51.4	Low	34.3	Very low	96 Å²	96	137.2 Å²	137.2	62%	0.623	74%	0.737	S	S	*	*			cis	-144.9	-161	4.9	31.8	-3.7	0	0	0	117.6
46	F	30.2	Very low	35.1	Very low	205 Å²	205	137 Å²	137	90%	0.899	74%	0.743	S	S	*	*			trans	90.9	148.8	167.1	-64	-73.3	0	0	0	118.9
47	G	32.6	Very low	35.1	Very low	68 Å²	68	134 Å²	134	70%	0.701	75%	0.745	S	S	*	*			trans	-132.3	-176	175.1	0	0	0	0	0	111
48	L	31.7	Very low	35.4	Very low	179 Å²	179	136.1 Å²	136.1	94%	0.937	76%	0.759	S	S	*	*			trans	-155.1	179.8	-174.2	-112.6	168.1	0	0	0	113.8
49	V	31.3	Very low	35.7	Very low	123 Å²	123	134.7 Å²	134.7	75%	0.745	77%	0.766	S	S	*	*			trans	-138.7	145	-163.6	163.7	0	0	0	0	112.2
50	S	32.5	Very low	36	Very low	100 Å²	100	135.4 Å²	135.4	70%	0.699	78%	0.78	S	S	*	*			trans	68	115.6	161	-70.8	0	0	0	0	122.8
51	Q	31.4	Very low	36.2	Very low	182 Å²	182	133.8 Å²	133.8	85%	0.85	79%	0.79	S	S	*	*				55.9	167.3	128.9	-77.4	-160.2	13.6	0	0	122.3
52	P	47.3	Very low	36.3	Very low	106 Å²	106	133.3 Å²	133.3	69%	0.688	80%	0.8	S	S	*	*			cis	-130.5	-173.6	-27.8	33.4	-14.3	0	0	0	113.1
53	H	32.3	Very low	37.4	Very low	188 Å²	188	131.5 Å²	131.5	87%	0.87	80%	0.802	S	S	*	*			trans	-128.1	143.2	168.7	-91.5	-67.6	0	0	0	112.8
54	P	45.6	Very low	37.7	Very low	121 Å²	121	126.4 Å²	126.4	79%	0.786	79%	0.793	S	S	*	*			trans	-97.4	176.1	174.9	38.6	-35.1	0	0	0	114.3
55	T	34.2	Very low	37.1	Very low	135 Å²	135	126.5 Å²	126.5	83%	0.828	80%	0.796	S	S	*	*			trans	-87.6	165.1	-175.3	49.4	0	0	0	0	115
56	P	44.1	Very low	36.3	Very low	127 Å²	127	126.7 Å²	126.7	83%	0.825	80%	0.8	S	S	*	*			trans	-118.5	149.1	155.8	37.7	-27.9	0	0	0	113.3
57	A	30	Very low	36.8	Very low	94 Å²	94	125 Å²	125	78%	0.777	80%	0.795	S	S	*	*			trans	-161.1	174.6	166.1	0	0	0	0	0	108.4
58	P	56	Low	37.2	Very low	126 Å²	126	129.7 Å²	129.7	82%	0.818	80%	0.802	S	S	*	*				-120.1	177.4	-61.2	38.3	-28	0	0	0	110.6
59	S	32.2	Very low	37.6	Very low	125 Å²	125	124.9 Å²	124.9	87%	0.874	80%	0.797	S	S	*	*			trans	-152.2	134.6	159	42.3	0	0	0	0	112.9
60	T	34.3	Very low	38.3	Very low	144 Å²	144	127.3 Å²	127.3	88%	0.883	81%	0.805	S	S	*	*			trans	-110.6	124.5	176.2	29.6	0	0	0	0	109.9
61	A	32.6	Very low	38.6	Very low	102 Å²	102	125.7 Å²	125.7	84%	0.843	80%	0.804	S	S	*	*			trans	-167.1	112.4	156.2	0	0	0	0	0	112.2
62	C	32.2	Very low	39.7	Very low	124 Å²	124	123.3 Å²	123.3	84%	0.838	80%	0.804	S	S	*	*			trans	-76.5	165.7	144.5	-69.3	0	0	0	0	108
63	P	49.2	Very low	39.9	Very low	118 Å²	118	123.8 Å²	123.8	77%	0.766	81%	0.805	S	S	*	*			cis	-150.3	-179.4	28	45	-25.1	0	0	0	118.8
64	A	33	Very low	40.9	Very low	84 Å²	84	117.6 Å²	117.6	69%	0.694	79%	0.787	S	S	*	*			trans	79.2	133	139.4	0	0	0	0	0	123.5
65	S	34.4	Very low	41.4	Very low	109 Å²	109	113.7 Å²	113.7	76%	0.762	77%	0.769	S	S	*	*			trans	82.4	133.4	137	46.5	0	0	0	0	123.8
66	S	35.4	Very low	42.6	Very low	101 Å²	101	117.7 Å²	117.7	71%	0.706	77%	0.769	S	S	*	*			trans	69.6	100	144.8	54.2	0	0	0	0	122.7
67	E	40.1	Very low	43.6	Very low	170 Å²	170	118.1 Å²	118.1	79%	0.794	76%	0.76	S	S	*	*				61.7	124.3	118.5	-63.1	-165.8	134.5	0	0	124.1
68	L	42.1	Very low	45.3	Very low	165 Å²	165	118 Å²	118	86%	0.864	75%	0.746	S	S	*	*			trans	53.9	123.5	131.6	-64.1	164.7	0	0	0	121.2
69	G	39.9	Very low	46.1	Very low	79 Å²	79	118.4 Å²	118.4	81%	0.814	74%	0.737	S	S	*	*			trans	-175.5	32	174.8	0	0	0	0	0	121.7
70	N	46.4	Very low	48.4	Very low	174 Å²	174	118 Å²	118	93%	0.93	72%	0.721	S	S	*	*			trans	25.5	130.5	162.6	-91.7	-11.8	0	0	0	122.9
71	G	37.6	Very low	50.6	Low	66 Å²	66	116 Å²	116	68%	0.68	71%	0.705	S	S	*	*			trans	-164.9	95.8	163.1	0	0	0	0	0	114.9	V73	G71-V73 PolarHBondContact O-N 3.21Å
72	P	54.8	Low	52.9	Low	131 Å²	131	117 Å²	117	85%	0.851	69%	0.692	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.1	75.3	-165.8	36.3	-36.3	0	0	0	114.4
73	V	51.8	Low	55.4	Low	116 Å²	116	118.1 Å²	118.1	70%	0.703	69%	0.685	S	S	*	*	T	Hydrogen-bonded Turn	trans	-121.7	-41.1	173.4	-176.9	0	0	0	0	113.3	G71 G75	G71-V73 PolarHBondContact O-N 3.21Å; V73-G75 PolarHBondContact O-N 3.34Å
74	A	53.3	Low	57.3	Low	58 Å²	58	117.3 Å²	117.3	48%	0.479	67%	0.67	S	S	.	*	T	Hydrogen-bonded Turn	trans	-57.8	-43.8	-175	0	0	0	0	0	114	R76 Q77 D78	A74-R76 PolarHBondContact O-N 3.3Å; A74-Q77 PolarHBondContact O-N 3.4Å; A74-D78 VanDerWaalsContact C-OD2 3.25Å; A74-D78 PolarHBondContact O-N 2.93Å; A74-D78 VanDerWaalsContact O-N 3.12Å
75	G	55.4	Low	59.9	Low	40 Å²	40	118.3 Å²	118.3	41%	0.412	66%	0.663	S	S	.	*	H	α-helix	trans	-59.5	-14.6	-167.6	0	0	0	0	0	117.1	V73 Q79	V73-G75 PolarHBondContact O-N 3.34Å; G75-Q79 WeakPolarHBondContact O-CB 3.41Å; G75-Q79 WeakPolarHBondContact O-CG 3.38Å; G75-Q79 PolarHBondContact O-N 3.12Å
76	R	60.8	Low	62.5	Low	218 Å²	218	117.3 Å²	117.3	82%	0.823	65%	0.653	S	S	*	*	H	α-helix	trans	-83.3	-33.8	170.6	-84.2	-168.2	172.5	-143.4	-0.9	113.5	A74 H80	A74-R76 PolarHBondContact O-N 3.3Å; R76-H80 PolarHBondContact O-N 3.31Å
77	Q	63.9	Low	65.1	Low	137 Å²	137	115.4 Å²	115.4	64%	0.64	64%	0.643	S	S	*	*	H	α-helix	trans	-73.5	-41	172.8	-71.9	-177.7	-71.4	0	0	110.2	A74 Q79 H80 L81	A74-Q77 PolarHBondContact O-N 3.4Å; Q77-Q79 VanDerWaalsContact C-N 3.34Å; Q77-Q79 PolarHBondContact O-N 2.86Å; Q77-H80 PolarHBondContact O-N 3.47Å; Q77-H80 VanDerWaalsContact O-N 3.14Å; Q77-L81 WeakPolarHBondContact O-CG 3.17Å; Q77-L81 PolarHBondContact O-N 2.88Å
78	D	66.3	Low	67.5	Low	90 Å²	90	112.4 Å²	112.4	48%	0.481	63%	0.632	S	S	.	*	H	α-helix	trans	-59.3	-43.5	176.1	-56.7	-36.5	0	0	0	111.6	A74 H80 L81 Q82	A74-D78 VanDerWaalsContact C-OD2 3.25Å; A74-D78 PolarHBondContact O-N 2.93Å; A74-D78 VanDerWaalsContact O-N 3.12Å; D78-H80 PolarHBondContact O-N 3.15Å; D78-L81 PolarHBondContact O-N 3.44Å; D78-Q82 VanDerWaalsContact O-CB 3.29Å; D78-Q82 WeakPolarHBondContact O-CB 3.29Å; D78-Q82 PolarHBondContact O-N 2.89Å
79	Q	73.3	Confident	69.7	Low	135 Å²	135	111.6 Å²	111.6	63%	0.631	62%	0.621	S	S	*	*	H	α-helix	trans	-64.1	-36.5	175.6	-78.6	174.8	6.3	0	0	113.4	G75 Q77 Q83	G75-Q79 WeakPolarHBondContact O-CB 3.41Å; G75-Q79 WeakPolarHBondContact O-CG 3.38Å; G75-Q79 PolarHBondContact O-N 3.12Å; Q77-Q79 VanDerWaalsContact C-N 3.34Å; Q77-Q79 PolarHBondContact O-N 2.86Å; Q79-Q83 WeakPolarHBondContact O-CG 3.29Å; Q79-Q83 PolarHBondContact O-N 3.14Å; Q79-Q83 VanDerWaalsContact O-N 3.15Å
80	H	79.9	Confident	72.2	Confident	116 Å²	116	113.7 Å²	113.7	54%	0.537	61%	0.61	S	S	.	*	H	α-helix	trans	-67.1	-49.6	175.3	-174.6	-76.1	0	0	0	111.2	R76 Q77 D78 Q82 Q83 E84	R76-H80 PolarHBondContact O-N 3.31Å; Q77-H80 PolarHBondContact O-N 3.47Å; Q77-H80 VanDerWaalsContact O-N 3.14Å; D78-H80 PolarHBondContact O-N 3.15Å; H80-Q82 VanDerWaalsContact C-N 3.27Å; H80-Q82 PolarHBondContact O-N 2.89Å; H80-Q83 PolarHBondContact O-N 3.14Å; H80-Q83 VanDerWaalsContact O-N 3.14Å; H80-E84 IonicContact CE1-OE2 3.45Å; H80-E84 IonicContact ND1-OE2 3.6Å; H80-E84 PolarHBondContact O-N 3.37Å
81	L	79.6	Confident	74.3	Confident	104 Å²	104	111.5 Å²	111.5	55%	0.545	59%	0.592	S	S	.	*	H	α-helix	trans	-59.6	-38.6	177.6	-69.3	169.2	0	0	0	111.5	Q77 D78 E84 L85	Q77-L81 WeakPolarHBondContact O-CG 3.17Å; Q77-L81 PolarHBondContact O-N 2.88Å; D78-L81 PolarHBondContact O-N 3.44Å; L81-E84 PolarHBondContact O-N 2.95Å; L81-L85 VanDerWaalsContact O-CB 3.29Å; L81-L85 WeakPolarHBondContact O-CB 3.47Å; L81-L85 PolarHBondContact O-N 3.35Å
82	Q	80.9	Confident	76.8	Confident	122 Å²	122	114.8 Å²	114.8	57%	0.57	59%	0.59	S	S	*	*	H	α-helix	trans	-65.2	-39.3	176.3	-162.8	70.7	3.2	0	0	112.3	D78 H80 V86	D78-Q82 VanDerWaalsContact O-CB 3.29Å; D78-Q82 WeakPolarHBondContact O-CB 3.29Å; D78-Q82 PolarHBondContact O-N 2.89Å; H80-Q82 VanDerWaalsContact C-N 3.27Å; H80-Q82 PolarHBondContact O-N 2.89Å; Q82-V86 VanDerWaalsContact O-CG2 3.31Å; Q82-V86 WeakPolarHBondContact O-CG2 3.31Å; Q82-V86 PolarHBondContact O-N 3.28Å; Q82-V86 VanDerWaalsContact O-N 3.11Å
83	Q	86.2	Confident	78.5	Confident	148 Å²	148	112.1 Å²	112.1	69%	0.692	57%	0.566	S	S	*	*	H	α-helix	trans	-67.5	-41.6	174.3	-74.9	-176.2	-6.3	0	0	112	Q79 H80 V86 A87	Q79-Q83 WeakPolarHBondContact O-CG 3.29Å; Q79-Q83 PolarHBondContact O-N 3.14Å; Q79-Q83 VanDerWaalsContact O-N 3.15Å; H80-Q83 PolarHBondContact O-N 3.14Å; H80-Q83 VanDerWaalsContact O-N 3.14Å; Q83-V86 PolarHBondContact O-N 2.93Å; Q83-A87 PolarHBondContact O-N 3.32Å
84	E	88	Confident	80.5	Confident	100 Å²	100	110.5 Å²	110.5	47%	0.467	55%	0.553	S	S	.	*	H	α-helix	trans	-65.3	-39.9	178.3	-169.7	166.6	-170.5	0	0	112	H80 L81 A87 L88	H80-E84 IonicContact CE1-OE2 3.45Å; H80-E84 IonicContact ND1-OE2 3.6Å; H80-E84 PolarHBondContact O-N 3.37Å; L81-E84 PolarHBondContact O-N 2.95Å; E84-A87 PolarHBondContact O-N 3.11Å; E84-L88 HydrophobicContact CG-CD1 4.48Å; E84-L88 WeakPolarHBondContact O-CB 3.47Å; E84-L88 WeakPolarHBondContact O-CG 3.4Å; E84-L88 PolarHBondContact O-N 2.88Å
85	L	87.8	Confident	82.2	Confident	105 Å²	105	113.6 Å²	113.6	55%	0.55	56%	0.557	S	S	.	*	H	α-helix	trans	-65.4	-39.5	174.5	-162.8	159	0	0	0	111.8	L81 L88 K89	L81-L85 VanDerWaalsContact O-CB 3.29Å; L81-L85 WeakPolarHBondContact O-CB 3.47Å; L81-L85 PolarHBondContact O-N 3.35Å; L85-L88 PolarHBondContact O-N 2.92Å; L85-K89 WeakPolarHBondContact O-CB 3.47Å; L85-K89 PolarHBondContact O-N 2.96Å
86	V	90.1	Very high	83.9	Confident	89 Å²	89	119 Å²	119	54%	0.539	57%	0.565	S	S	.	*	H	α-helix	trans	-64.2	-42.2	172.4	168.5	0	0	0	0	111.5	Q82 Q83 K89 H90	Q82-V86 VanDerWaalsContact O-CG2 3.31Å; Q82-V86 WeakPolarHBondContact O-CG2 3.31Å; Q82-V86 PolarHBondContact O-N 3.28Å; Q82-V86 VanDerWaalsContact O-N 3.11Å; Q83-V86 PolarHBondContact O-N 2.93Å; V86-K89 PolarHBondContact O-N 2.88Å; V86-H90 PolarHBondContact O-N 2.97Å
87	A	89.9	Confident	85.3	Confident	60 Å²	60	113.4 Å²	113.4	50%	0.496	55%	0.548	S	S	.	.	H	α-helix	trans	-64.2	-41.3	176.4	0	0	0	0	0	112.3	Q83 E84 H90 K91	Q83-A87 PolarHBondContact O-N 3.32Å; E84-A87 PolarHBondContact O-N 3.11Å; A87-H90 PolarHBondContact O-N 3.42Å; A87-K91 WeakPolarHBondContact O-CB 3.47Å; A87-K91 PolarHBondContact O-N 3.35Å
88	L	90.6	Very high	86.8	Confident	107 Å²	107	112.9 Å²	112.9	56%	0.56	55%	0.549	S	S	*	.	H	α-helix	trans	-62.8	-44.3	173.5	-77.4	166.6	0	0	0	111.9	E84 L85 H90 K91 Q92	E84-L88 HydrophobicContact CG-CD1 4.48Å; E84-L88 WeakPolarHBondContact O-CB 3.47Å; E84-L88 WeakPolarHBondContact O-CG 3.4Å; E84-L88 PolarHBondContact O-N 2.88Å; L85-L88 PolarHBondContact O-N 2.92Å; L88-H90 PolarHBondContact O-N 3.43Å; L88-K91 PolarHBondContact O-N 3.38Å; L88-Q92 WeakPolarHBondContact O-CB 3.42Å; L88-Q92 PolarHBondContact O-N 3.45Å
89	K	87.2	Confident	88	Confident	148 Å²	148	114.8 Å²	114.8	64%	0.643	56%	0.559	S	S	*	*	H	α-helix	trans	-62	-41.7	176.4	-172.2	176.1	-179	179.5	0	112	L85 V86 Q92 E93	L85-K89 WeakPolarHBondContact O-CB 3.47Å; L85-K89 PolarHBondContact O-N 2.96Å; V86-K89 PolarHBondContact O-N 2.88Å; K89-Q92 PolarHBondContact O-N 3.01Å; K89-E93 WeakPolarHBondContact O-CB 3.4Å; K89-E93 PolarHBondContact O-N 3.38Å
90	H	91.8	Very high	88.8	Confident	123 Å²	123	112 Å²	112	57%	0.569	55%	0.548	S	S	*	.	H	α-helix	trans	-64.2	-41.6	175.1	-179.2	-136.1	0	0	0	112.1	V86 A87 L88 E93 L94	V86-H90 PolarHBondContact O-N 2.97Å; A87-H90 PolarHBondContact O-N 3.42Å; L88-H90 PolarHBondContact O-N 3.43Å; H90-E93 PolarHBondContact O-N 3.25Å; H90-L94 WeakPolarHBondContact O-CG 3.47Å; H90-L94 PolarHBondContact O-N 3.01Å
91	K	91.9	Very high	89.4	Confident	128 Å²	128	109.3 Å²	109.3	56%	0.557	55%	0.545	S	S	*	.	H	α-helix	trans	-62.9	-41.8	174.5	-175.2	179.4	177.7	-177.6	0	112.3	A87 L88 L94 Q95	A87-K91 WeakPolarHBondContact O-CB 3.47Å; A87-K91 PolarHBondContact O-N 3.35Å; L88-K91 PolarHBondContact O-N 3.38Å; K91-L94 PolarHBondContact O-N 3Å; K91-Q95 WeakPolarHBondContact O-CG 3.5Å; K91-Q95 PolarHBondContact O-N 3.47Å
92	Q	90.1	Very high	90	Very high	136 Å²	136	108.7 Å²	108.7	64%	0.636	54%	0.539	S	S	*	.	H	α-helix	trans	-64	-41.4	177.1	-171.3	179.6	23.1	0	0	111.7	L88 K89 Q95 R96	L88-Q92 WeakPolarHBondContact O-CB 3.42Å; L88-Q92 PolarHBondContact O-N 3.45Å; K89-Q92 PolarHBondContact O-N 3.01Å; Q92-Q95 PolarHBondContact O-N 2.83Å; Q92-R96 WeakPolarHBondContact O-CB 3.48Å; Q92-R96 PolarHBondContact O-N 2.92Å
93	E	89.4	Confident	90.5	Very high	74 Å²	74	107.5 Å²	107.5	35%	0.346	53%	0.532	S	S	.	.	H	α-helix	trans	-66.1	-41.7	176.8	-176.3	54	-146.7	0	0	111.8	K89 H90 Q95 R96 Q97	K89-E93 WeakPolarHBondContact O-CB 3.4Å; K89-E93 PolarHBondContact O-N 3.38Å; H90-E93 PolarHBondContact O-N 3.25Å; E93-Q95 PolarHBondContact O-N 2.9Å; E93-R96 WeakPolarHBondContact O-CB 3.34Å; E93-R96 PolarHBondContact O-N 3.33Å; E93-R96 IonicContact OE2-NH1 3.57Å; E93-Q97 WeakPolarHBondContact O-CG 3.43Å; E93-Q97 PolarHBondContact O-N 3.44Å; E93-Q97 PolarHBondContact OE1-NE2 3.39Å
94	L	93.6	Very high	90.6	Very high	83 Å²	83	106 Å²	106	44%	0.435	53%	0.525	S	S	.	.	H	α-helix	trans	-61.2	-40.3	172.3	-74.7	168.5	0	0	0	112.7	H90 K91 Q97 L98	H90-L94 WeakPolarHBondContact O-CG 3.47Å; H90-L94 PolarHBondContact O-N 3.01Å; K91-L94 PolarHBondContact O-N 3Å; L94-Q97 PolarHBondContact O-N 3.03Å; L94-L98 WeakPolarHBondContact O-CG 3.46Å; L94-L98 PolarHBondContact O-N 3.42Å
95	Q	90.3	Very high	90.9	Very high	122 Å²	122	108.4 Å²	108.4	57%	0.57	53%	0.53	S	S	*	.	H	α-helix	trans	-66	-38.3	174.8	-73	-176.8	-68	0	0	112.1	K91 Q92 E93 L99	K91-Q95 WeakPolarHBondContact O-CG 3.5Å; K91-Q95 PolarHBondContact O-N 3.47Å; Q92-Q95 PolarHBondContact O-N 2.83Å; E93-Q95 PolarHBondContact O-N 2.9Å; Q95-L99 WeakPolarHBondContact O-CB 3.5Å; Q95-L99 PolarHBondContact O-N 3.21Å
96	R	90.8	Very high	90.9	Very high	153 Å²	153	108.6 Å²	108.6	58%	0.577	53%	0.528	S	S	*	.	H	α-helix	trans	-62	-46.5	173.5	-178.2	-175	-177.8	-171.7	2.3	111.4	Q92 E93 L99 I100	Q92-R96 WeakPolarHBondContact O-CB 3.48Å; Q92-R96 PolarHBondContact O-N 2.92Å; E93-R96 WeakPolarHBondContact O-CB 3.34Å; E93-R96 PolarHBondContact O-N 3.33Å; E93-R96 IonicContact OE2-NH1 3.57Å; R96-L99 PolarHBondContact O-N 2.98Å; R96-I100 HydrophobicContact CG-CD1 3.84Å; R96-I100 VanDerWaalsContact O-CG1 3.28Å; R96-I100 WeakPolarHBondContact O-CG1 3.5Å; R96-I100 PolarHBondContact O-N 3.31Å
97	Q	90.3	Very high	90.9	Very high	102 Å²	102	108.7 Å²	108.7	48%	0.477	52%	0.523	S	S	.	.	H	α-helix	trans	-63.9	-40.9	179.7	-70.7	173.9	14	0	0	112.2	E93 L94 I100 A101	E93-Q97 WeakPolarHBondContact O-CG 3.43Å; E93-Q97 PolarHBondContact O-N 3.44Å; E93-Q97 PolarHBondContact OE1-NE2 3.39Å; L94-Q97 PolarHBondContact O-N 3.03Å; Q97-I100 PolarHBondContact O-N 3.06Å; Q97-A101 WeakPolarHBondContact O-CB 3.43Å; Q97-A101 PolarHBondContact O-N 2.93Å
98	L	94.7	Very high	90.9	Very high	125 Å²	125	110.6 Å²	110.6	65%	0.654	52%	0.521	S	S	*	.	H	α-helix	trans	-60.9	-46	173.1	-79.5	164.6	0	0	0	112.4	L94 I100 A101 E102	L94-L98 WeakPolarHBondContact O-CG 3.46Å; L94-L98 PolarHBondContact O-N 3.42Å; L98-I100 VanDerWaalsContact C-N 3.33Å; L98-I100 PolarHBondContact O-N 2.94Å; L98-A101 PolarHBondContact O-N 3.27Å; L98-E102 WeakPolarHBondContact O-CB 3.48Å; L98-E102 PolarHBondContact O-N 3.45Å
99	L	91.6	Very high	90.9	Very high	131 Å²	131	110.7 Å²	110.7	69%	0.686	52%	0.519	S	S	*	.	H	α-helix	trans	-62.5	-40.6	178.2	-169.2	72.5	0	0	0	111.9	Q95 R96 E102 F103	Q95-L99 WeakPolarHBondContact O-CB 3.5Å; Q95-L99 PolarHBondContact O-N 3.21Å; R96-L99 PolarHBondContact O-N 2.98Å; L99-E102 PolarHBondContact O-N 2.99Å; L99-F103 WeakPolarHBondContact O-CB 3.28Å; L99-F103 PolarHBondContact O-N 3.48Å
100	I	91	Very high	90.9	Very high	77 Å²	77	109 Å²	109	40%	0.395	52%	0.516	S	S	.	.	H	α-helix	trans	-66.5	-40.5	176.5	-69.3	172.4	0	0	0	110.9	R96 Q97 L98 F103 H104	R96-I100 HydrophobicContact CG-CD1 3.84Å; R96-I100 VanDerWaalsContact O-CG1 3.28Å; R96-I100 WeakPolarHBondContact O-CG1 3.5Å; R96-I100 PolarHBondContact O-N 3.31Å; Q97-I100 PolarHBondContact O-N 3.06Å; L98-I100 VanDerWaalsContact C-N 3.33Å; L98-I100 PolarHBondContact O-N 2.94Å; I100-F103 PolarHBondContact O-N 3.04Å; I100-H104 VanDerWaalsContact CG2-CE1 3.5Å; I100-H104 WeakPolarHBondContact CG2-CE1 3.43Å; I100-H104 PolarHBondContact O-N 3.07Å; I100-H104 VanDerWaalsContact O-N 3.07Å; I100-H104 PolarHBondContact O-ND1 3.49Å
101	A	91.4	Very high	90.5	Very high	59 Å²	59	106 Å²	106	49%	0.488	51%	0.509	S	S	.	.	H	α-helix	trans	-66.2	-40.7	176.5	0	0	0	0	0	112.4	Q97 L98 R105	Q97-A101 WeakPolarHBondContact O-CB 3.43Å; Q97-A101 PolarHBondContact O-N 2.93Å; L98-A101 PolarHBondContact O-N 3.27Å; A101-R105 WeakPolarHBondContact O-CB 3.5Å; A101-R105 PolarHBondContact O-N 2.66Å
102	E	91.8	Very high	90.5	Very high	90 Å²	90	107.1 Å²	107.1	42%	0.421	51%	0.51	S	S	.	.	H	α-helix	trans	-62.9	-44.4	174.7	-176.1	107.8	-105.1	0	0	111.6	L98 L99 R105 Q106	L98-E102 WeakPolarHBondContact O-CB 3.48Å; L98-E102 PolarHBondContact O-N 3.45Å; L99-E102 PolarHBondContact O-N 2.99Å; E102-R105 WeakPolarHBondContact O-CB 3.48Å; E102-R105 PolarHBondContact O-N 2.99Å; E102-R105 IonicContact OE1-CZ 3.55Å; E102-R105 IonicContact OE1-NE 3.87Å; E102-R105 IonicContact OE1-NH2 3.6Å; E102-R105 PolarHBondContact OE1-NH2 3.12Å; E102-Q106 WeakPolarHBondContact O-CG 3.46Å; E102-Q106 PolarHBondContact O-N 3.28Å
103	F	92.7	Very high	90.3	Very high	97 Å²	97	105.7 Å²	105.7	43%	0.425	50%	0.503	S	S	.	.	H	α-helix	trans	-60.8	-47.2	176.6	-179	-95.6	0	0	0	112.1	L99 I100 R105 Q106 H107	L99-F103 WeakPolarHBondContact O-CB 3.28Å; L99-F103 PolarHBondContact O-N 3.48Å; I100-F103 PolarHBondContact O-N 3.04Å; F103-R105 VanDerWaalsContact C-N 3.33Å; F103-R105 PolarHBondContact O-N 3.47Å; F103-Q106 PolarHBondContact O-N 3.41Å; F103-H107 WeakPolarHBondContact O-CB 3.5Å; F103-H107 PolarHBondContact O-N 2.78Å
104	H	88.3	Confident	90.3	Very high	117 Å²	117	107.9 Å²	107.9	54%	0.542	51%	0.513	S	S	.	.	H	α-helix	trans	-60	-42	175.7	-75.1	101.2	0	0	0	112	I100 Q106 H107 E108	I100-H104 VanDerWaalsContact CG2-CE1 3.5Å; I100-H104 WeakPolarHBondContact CG2-CE1 3.43Å; I100-H104 PolarHBondContact O-N 3.07Å; I100-H104 VanDerWaalsContact O-N 3.07Å; I100-H104 PolarHBondContact O-ND1 3.49Å; H104-Q106 PolarHBondContact O-N 2.88Å; H104-H107 PolarHBondContact O-N 3.47Å; H104-E108 WeakPolarHBondContact O-CB 3.44Å; H104-E108 PolarHBondContact O-N 3.14Å
105	R	93.4	Very high	90	Very high	151 Å²	151	109.1 Å²	109.1	57%	0.57	52%	0.517	S	S	*	.	H	α-helix	trans	-60.9	-42.7	176.8	-174.9	178.5	74.2	121.3	-5.1	112.4	A101 E102 F103 Q109	A101-R105 WeakPolarHBondContact O-CB 3.5Å; A101-R105 PolarHBondContact O-N 2.66Å; E102-R105 WeakPolarHBondContact O-CB 3.48Å; E102-R105 PolarHBondContact O-N 2.99Å; E102-R105 IonicContact OE1-CZ 3.55Å; E102-R105 IonicContact OE1-NE 3.87Å; E102-R105 IonicContact OE1-NH2 3.6Å; E102-R105 PolarHBondContact OE1-NH2 3.12Å; F103-R105 VanDerWaalsContact C-N 3.33Å; F103-R105 PolarHBondContact O-N 3.47Å; R105-Q109 WeakPolarHBondContact O-CB 3.44Å; R105-Q109 PolarHBondContact O-N 3.27Å; R105-Q109 VanDerWaalsContact O-N 3.12Å
106	Q	88.9	Confident	90	Very high	109 Å²	109	107 Å²	107	51%	0.509	51%	0.512	S	S	.	.	H	α-helix	trans	-67.5	-40.8	176.1	-71.3	-177.5	0.6	0	0	111.9	E102 F103 H104 Q109 L110	E102-Q106 WeakPolarHBondContact O-CG 3.46Å; E102-Q106 PolarHBondContact O-N 3.28Å; F103-Q106 PolarHBondContact O-N 3.41Å; H104-Q106 PolarHBondContact O-N 2.88Å; Q106-Q109 PolarHBondContact O-N 3.36Å; Q106-L110 PolarHBondContact O-N 3.28Å
107	H	88.8	Confident	89.9	Confident	91 Å²	91	105.8 Å²	105.8	42%	0.421	51%	0.513	S	S	.	.	H	α-helix	trans	-63.1	-47.5	177.1	-168.8	78.3	0	0	0	111.6	F103 H104 Q109 L110 S111	F103-H107 WeakPolarHBondContact O-CB 3.5Å; F103-H107 PolarHBondContact O-N 2.78Å; H104-H107 PolarHBondContact O-N 3.47Å; H107-Q109 VanDerWaalsContact C-N 3.32Å; H107-Q109 PolarHBondContact O-N 3.36Å; H107-L110 WeakPolarHBondContact O-CB 3.45Å; H107-L110 PolarHBondContact O-N 2.73Å; H107-L110 VanDerWaalsContact O-N 3.12Å; H107-S111 PolarHBondContact O-N 2.69Å; H107-S111 PolarHBondContact O-OG 3.32Å
108	E	89.5	Confident	89.5	Confident	99 Å²	99	105.3 Å²	105.3	46%	0.463	51%	0.513	S	S	.	.	H	α-helix	trans	-61	-39.7	177.3	-163.5	-162.1	148.7	0	0	112	H104 L110 S111 R112	H104-E108 WeakPolarHBondContact O-CB 3.44Å; H104-E108 PolarHBondContact O-N 3.14Å; E108-L110 VanDerWaalsContact C-N 3.35Å; E108-L110 PolarHBondContact O-N 2.9Å; E108-S111 PolarHBondContact O-N 3.04Å; E108-R112 WeakPolarHBondContact O-CB 3.33Å; E108-R112 VanDerWaalsContact O-CG 3.27Å; E108-R112 WeakPolarHBondContact O-CG 3.41Å; E108-R112 PolarHBondContact O-N 3.14Å; E108-R112 IonicContact OE1-CZ 2.66Å; E108-R112 IonicContact OE1-NE 3.61Å; E108-R112 PolarHBondContact OE1-NE 3.08Å; E108-R112 IonicContact OE1-NH2 3.67Å; E108-R112 PolarHBondContact OE1-NH2 3.01Å
109	Q	91.6	Very high	89.1	Confident	109 Å²	109	104.5 Å²	104.5	51%	0.509	51%	0.506	S	S	.	.	H	α-helix	trans	-63	-40.1	174.7	-176.5	175.5	-18.5	0	0	112	R105 Q106 H107 Q113	R105-Q109 WeakPolarHBondContact O-CB 3.44Å; R105-Q109 PolarHBondContact O-N 3.27Å; R105-Q109 VanDerWaalsContact O-N 3.12Å; Q106-Q109 PolarHBondContact O-N 3.36Å; H107-Q109 VanDerWaalsContact C-N 3.32Å; H107-Q109 PolarHBondContact O-N 3.36Å; Q109-Q113 WeakPolarHBondContact O-CG 3.44Å; Q109-Q113 PolarHBondContact O-N 3.05Å
110	L	88.2	Confident	89	Confident	113 Å²	113	104.7 Å²	104.7	59%	0.592	50%	0.503	S	S	*	.	H	α-helix	trans	-67	-43.6	174.7	-101	153.3	0	0	0	112.3	Q106 H107 E108 R112 Q113 H114	Q106-L110 PolarHBondContact O-N 3.28Å; H107-L110 WeakPolarHBondContact O-CB 3.45Å; H107-L110 PolarHBondContact O-N 2.73Å; H107-L110 VanDerWaalsContact O-N 3.12Å; E108-L110 VanDerWaalsContact C-N 3.35Å; E108-L110 PolarHBondContact O-N 2.9Å; L110-R112 PolarHBondContact O-N 2.88Å; L110-Q113 PolarHBondContact O-N 3.3Å; L110-H114 PolarHBondContact O-N 3.38Å
111	S	81.9	Confident	88.8	Confident	59 Å²	59	106.8 Å²	106.8	41%	0.413	51%	0.511	S	S	.	.	H	α-helix	trans	-59.3	-46.2	174.8	-59.5	0	0	0	0	111.6	H107 E108 Q113 H114 E115	H107-S111 PolarHBondContact O-N 2.69Å; H107-S111 PolarHBondContact O-OG 3.32Å; E108-S111 PolarHBondContact O-N 3.04Å; S111-Q113 VanDerWaalsContact C-N 3.33Å; S111-Q113 PolarHBondContact O-N 3.06Å; S111-H114 PolarHBondContact O-N 2.93Å; S111-E115 WeakPolarHBondContact O-CB 3.45Å; S111-E115 PolarHBondContact O-N 3.4Å
112	R	91.6	Very high	88.6	Confident	152 Å²	152	107.4 Å²	107.4	57%	0.574	51%	0.506	S	S	*	.	H	α-helix	trans	-61.6	-38.3	176.1	-71.6	167.5	177.4	-96	7.9	112.3	E108 L110 V116	E108-R112 WeakPolarHBondContact O-CB 3.33Å; E108-R112 VanDerWaalsContact O-CG 3.27Å; E108-R112 WeakPolarHBondContact O-CG 3.41Å; E108-R112 PolarHBondContact O-N 3.14Å; E108-R112 IonicContact OE1-CZ 2.66Å; E108-R112 IonicContact OE1-NE 3.61Å; E108-R112 PolarHBondContact OE1-NE 3.08Å; E108-R112 IonicContact OE1-NH2 3.67Å; E108-R112 PolarHBondContact OE1-NH2 3.01Å; L110-R112 PolarHBondContact O-N 2.88Å; R112-V116 WeakPolarHBondContact O-CG2 3.1Å; R112-V116 PolarHBondContact O-N 3.37Å; R112-V116 VanDerWaalsContact O-N 3.15Å
113	Q	87.1	Confident	88.4	Confident	106 Å²	106	109.3 Å²	109.3	50%	0.495	51%	0.512	S	S	.	.	H	α-helix	trans	-66.7	-41.7	174.9	-76.8	177.9	-14.1	0	0	112.2	Q109 L110 S111 V116 Q117	Q109-Q113 WeakPolarHBondContact O-CG 3.44Å; Q109-Q113 PolarHBondContact O-N 3.05Å; L110-Q113 PolarHBondContact O-N 3.3Å; S111-Q113 VanDerWaalsContact C-N 3.33Å; S111-Q113 PolarHBondContact O-N 3.06Å; Q113-V116 PolarHBondContact O-N 3.29Å; Q113-Q117 WeakPolarHBondContact O-CG 3.44Å; Q113-Q117 PolarHBondContact O-N 3.45Å; Q113-Q117 VanDerWaalsContact O-N 3.11Å
114	H	88.9	Confident	88.2	Confident	121 Å²	121	110.2 Å²	110.2	56%	0.56	52%	0.518	S	S	*	.	H	α-helix	trans	-66.2	-40.3	176.6	-174.6	56.1	0	0	0	112.2	L110 S111 V116 Q117 L118	L110-H114 PolarHBondContact O-N 3.38Å; S111-H114 PolarHBondContact O-N 2.93Å; H114-V116 PolarHBondContact O-N 3.42Å; H114-Q117 PolarHBondContact O-N 3.07Å; H114-L118 WeakPolarHBondContact O-CB 3.46Å; H114-L118 PolarHBondContact O-N 3.15Å
115	E	86.8	Confident	88.1	Confident	109 Å²	109	109.9 Å²	109.9	51%	0.509	52%	0.516	S	S	.	.	H	α-helix	trans	-59.9	-45.7	175.5	-167.4	-169.2	163.2	0	0	111.7	S111 Q117 L118 Q119	S111-E115 WeakPolarHBondContact O-CB 3.45Å; S111-E115 PolarHBondContact O-N 3.4Å; E115-Q117 PolarHBondContact O-N 3.27Å; E115-L118 WeakPolarHBondContact O-CB 3.29Å; E115-L118 PolarHBondContact O-N 3.45Å; E115-Q119 WeakPolarHBondContact O-CG 3.33Å; E115-Q119 PolarHBondContact O-N 3.18Å; E115-Q119 PolarHBondContact OE1-NE2 3.09Å
116	V	91.8	Very high	87.6	Confident	78 Å²	78	108.5 Å²	108.5	47%	0.473	52%	0.516	S	S	.	.	H	α-helix	trans	-61.3	-44.4	176.1	170.4	0	0	0	0	111.4	R112 Q113 H114 L118 Q119 E120	R112-V116 WeakPolarHBondContact O-CG2 3.1Å; R112-V116 PolarHBondContact O-N 3.37Å; R112-V116 VanDerWaalsContact O-N 3.15Å; Q113-V116 PolarHBondContact O-N 3.29Å; H114-V116 PolarHBondContact O-N 3.42Å; V116-L118 VanDerWaalsContact C-N 3.29Å; V116-L118 PolarHBondContact O-N 3.31Å; V116-Q119 PolarHBondContact O-N 3.05Å; V116-E120 WeakPolarHBondContact O-CG 3.47Å; V116-E120 PolarHBondContact O-N 3.41Å
117	Q	87.1	Confident	87.6	Confident	127 Å²	127	107.8 Å²	107.8	59%	0.593	52%	0.516	S	S	*	.	H	α-helix	trans	-60.5	-38.7	175.3	-73.8	179.5	-17.8	0	0	112.4	Q113 H114 E115 E120 H121	Q113-Q117 WeakPolarHBondContact O-CG 3.44Å; Q113-Q117 PolarHBondContact O-N 3.45Å; Q113-Q117 VanDerWaalsContact O-N 3.11Å; H114-Q117 PolarHBondContact O-N 3.07Å; E115-Q117 PolarHBondContact O-N 3.27Å; Q117-E120 PolarHBondContact O-N 3.27Å; Q117-H121 WeakPolarHBondContact O-CB 3.43Å; Q117-H121 PolarHBondContact O-N 2.75Å
118	L	82.6	Confident	87.5	Confident	92 Å²	92	108.3 Å²	108.3	48%	0.482	52%	0.522	S	S	.	.	H	α-helix	trans	-67.3	-42.5	177.2	-162.6	73	0	0	0	111.3	H114 E115 V116 H121 I122	H114-L118 WeakPolarHBondContact O-CB 3.46Å; H114-L118 PolarHBondContact O-N 3.15Å; E115-L118 WeakPolarHBondContact O-CB 3.29Å; E115-L118 PolarHBondContact O-N 3.45Å; V116-L118 VanDerWaalsContact C-N 3.29Å; V116-L118 PolarHBondContact O-N 3.31Å; L118-H121 PolarHBondContact O-N 2.7Å; L118-I122 HydrophobicContact CG-CD1 4.12Å; L118-I122 WeakPolarHBondContact O-CB 3.5Å; L118-I122 WeakPolarHBondContact O-CD1 3.27Å; L118-I122 VanDerWaalsContact O-CG1 3.24Å; L118-I122 WeakPolarHBondContact O-CG1 3.49Å; L118-I122 PolarHBondContact O-N 3.29Å
119	Q	87.1	Confident	87.3	Confident	108 Å²	108	108.8 Å²	108.8	51%	0.505	53%	0.527	S	S	.	.	H	α-helix	trans	-63.1	-41.9	174.8	-69.6	179.3	18.8	0	0	112	E115 V116 I122 K123	E115-Q119 WeakPolarHBondContact O-CG 3.33Å; E115-Q119 PolarHBondContact O-N 3.18Å; E115-Q119 PolarHBondContact OE1-NE2 3.09Å; V116-Q119 PolarHBondContact O-N 3.05Å; Q119-I122 PolarHBondContact O-N 2.95Å; Q119-K123 WeakPolarHBondContact O-CB 3.46Å; Q119-K123 PolarHBondContact O-N 2.73Å
120	E	88.4	Confident	87.1	Confident	134 Å²	134	106.5 Å²	106.5	63%	0.626	53%	0.526	S	S	*	.	H	α-helix	trans	-63.2	-41.8	174.4	-73.4	-170.6	148	0	0	112.2	V116 Q117 K123 H124	V116-E120 WeakPolarHBondContact O-CG 3.47Å; V116-E120 PolarHBondContact O-N 3.41Å; Q117-E120 PolarHBondContact O-N 3.27Å; E120-K123 PolarHBondContact O-N 3.32Å; E120-H124 WeakPolarHBondContact O-CB 3.49Å; E120-H124 PolarHBondContact O-N 2.7Å
121	H	87.1	Confident	87.1	Confident	121 Å²	121	106.5 Å²	106.5	56%	0.56	53%	0.526	S	S	*	.	H	α-helix	trans	-64.8	-46	176.1	-175	-78.3	0	0	0	112.2	Q117 L118 K123 H124 Q125	Q117-H121 WeakPolarHBondContact O-CB 3.43Å; Q117-H121 PolarHBondContact O-N 2.75Å; L118-H121 PolarHBondContact O-N 2.7Å; H121-K123 VanDerWaalsContact C-N 3.32Å; H121-K123 PolarHBondContact O-N 3.39Å; H121-H124 PolarHBondContact O-N 3.5Å; H121-Q125 WeakPolarHBondContact O-CB 3.44Å; H121-Q125 PolarHBondContact O-N 3.19Å
122	I	87.3	Confident	87.3	Confident	73 Å²	73	109.2 Å²	109.2	37%	0.374	53%	0.531	S	S	.	.	H	α-helix	trans	-59.1	-44.8	176.3	-71.3	164.5	0	0	0	110.3	L118 Q119 Q125 Q126	L118-I122 HydrophobicContact CG-CD1 4.12Å; L118-I122 WeakPolarHBondContact O-CB 3.5Å; L118-I122 WeakPolarHBondContact O-CD1 3.27Å; L118-I122 VanDerWaalsContact O-CG1 3.24Å; L118-I122 WeakPolarHBondContact O-CG1 3.49Å; L118-I122 PolarHBondContact O-N 3.29Å; Q119-I122 PolarHBondContact O-N 2.95Å; I122-Q125 WeakPolarHBondContact O-CB 3.38Å; I122-Q125 PolarHBondContact O-N 2.67Å; I122-Q126 WeakPolarHBondContact O-CG 3.27Å; I122-Q126 PolarHBondContact O-N 2.81Å
123	K	87.8	Confident	87	Confident	130 Å²	130	107.1 Å²	107.1	57%	0.565	53%	0.527	S	S	*	.	H	α-helix	trans	-61.1	-46.8	176.2	-177.6	179.8	176.8	-177.7	0	112	Q119 E120 H121 Q125 Q126 D127	Q119-K123 WeakPolarHBondContact O-CB 3.46Å; Q119-K123 PolarHBondContact O-N 2.73Å; E120-K123 PolarHBondContact O-N 3.32Å; H121-K123 VanDerWaalsContact C-N 3.32Å; H121-K123 PolarHBondContact O-N 3.39Å; K123-Q125 VanDerWaalsContact C-N 3.27Å; K123-Q125 PolarHBondContact O-N 3.41Å; K123-Q126 WeakPolarHBondContact O-CB 3.46Å; K123-Q126 PolarHBondContact O-N 2.96Å; K123-Q126 VanDerWaalsContact O-N 3.13Å; K123-D127 PolarHBondContact O-N 3.4Å
124	H	88.8	Confident	86.9	Confident	115 Å²	115	107.7 Å²	107.7	53%	0.532	53%	0.53	S	S	.	.	H	α-helix	trans	-60.6	-37.9	177.4	-174.1	60.2	0	0	0	112.2	E120 H121 D127 L128	E120-H124 WeakPolarHBondContact O-CB 3.49Å; E120-H124 PolarHBondContact O-N 2.7Å; H121-H124 PolarHBondContact O-N 3.5Å; H124-D127 PolarHBondContact O-N 2.93Å; H124-L128 PolarHBondContact O-N 3.06Å
125	Q	86.3	Confident	86.8	Confident	110 Å²	110	107.5 Å²	107.5	51%	0.514	53%	0.529	S	S	.	.	H	α-helix	trans	-66.3	-38.9	175	-168.2	176.5	16.8	0	0	112.3	H121 I122 K123 L128 L129	H121-Q125 WeakPolarHBondContact O-CB 3.44Å; H121-Q125 PolarHBondContact O-N 3.19Å; I122-Q125 WeakPolarHBondContact O-CB 3.38Å; I122-Q125 PolarHBondContact O-N 2.67Å; K123-Q125 VanDerWaalsContact C-N 3.27Å; K123-Q125 PolarHBondContact O-N 3.41Å; Q125-L128 PolarHBondContact O-N 3.08Å; Q125-L129 VanDerWaalsContact O-CG 3.32Å; Q125-L129 WeakPolarHBondContact O-CG 3.36Å; Q125-L129 PolarHBondContact O-N 2.87Å; Q125-L129 VanDerWaalsContact O-N 3.11Å
126	Q	83.2	Confident	86.7	Confident	122 Å²	122	106.7 Å²	106.7	57%	0.57	53%	0.525	S	S	*	.	H	α-helix	trans	-64.8	-45.2	173.7	-71.1	172.6	2.7	0	0	111.9	I122 K123 L128 L129 A130	I122-Q126 WeakPolarHBondContact O-CG 3.27Å; I122-Q126 PolarHBondContact O-N 2.81Å; K123-Q126 WeakPolarHBondContact O-CB 3.46Å; K123-Q126 PolarHBondContact O-N 2.96Å; K123-Q126 VanDerWaalsContact O-N 3.13Å; Q126-L128 VanDerWaalsContact C-N 3.31Å; Q126-L128 PolarHBondContact O-N 3.12Å; Q126-L129 PolarHBondContact O-N 3.07Å; Q126-A130 PolarHBondContact O-N 2.85Å
127	D	87.2	Confident	86.4	Confident	94 Å²	94	107.8 Å²	107.8	50%	0.503	53%	0.528	S	S	.	.	H	α-helix	trans	-59.3	-41	175.9	-72.9	-29.8	0	0	0	111.4	K123 H124 A130 L131	K123-D127 PolarHBondContact O-N 3.4Å; H124-D127 PolarHBondContact O-N 2.93Å; D127-A130 PolarHBondContact O-N 2.98Å; D127-L131 WeakPolarHBondContact O-CB 3.38Å; D127-L131 PolarHBondContact O-N 2.93Å
128	L	87.4	Confident	86.4	Confident	103 Å²	103	107 Å²	107	54%	0.539	53%	0.527	S	S	.	.	H	α-helix	trans	-63.5	-40.9	175.9	-127	79.5	0	0	0	112.7	H124 Q125 Q126 K132	H124-L128 PolarHBondContact O-N 3.06Å; Q125-L128 PolarHBondContact O-N 3.08Å; Q126-L128 VanDerWaalsContact C-N 3.31Å; Q126-L128 PolarHBondContact O-N 3.12Å; L128-K132 WeakPolarHBondContact O-CB 3.43Å; L128-K132 PolarHBondContact O-N 2.84Å
129	L	85.7	Confident	86.5	Confident	109 Å²	109	106.3 Å²	106.3	57%	0.571	52%	0.521	S	S	*	.	H	α-helix	trans	-69.2	-39.7	177.9	-71.9	169.2	0	0	0	111.7	Q125 Q126 K132 H133	Q125-L129 VanDerWaalsContact O-CG 3.32Å; Q125-L129 WeakPolarHBondContact O-CG 3.36Å; Q125-L129 PolarHBondContact O-N 2.87Å; Q125-L129 VanDerWaalsContact O-N 3.11Å; Q126-L129 PolarHBondContact O-N 3.07Å; L129-K132 PolarHBondContact O-N 3.23Å; L129-H133 PolarHBondContact O-N 2.94Å
130	A	86.9	Confident	86.4	Confident	61 Å²	61	106.8 Å²	106.8	50%	0.504	52%	0.523	S	S	.	.	H	α-helix	trans	-61.7	-45.3	174.4	0	0	0	0	0	111.6	Q126 D127 K132 H133 Q134	Q126-A130 PolarHBondContact O-N 2.85Å; D127-A130 PolarHBondContact O-N 2.98Å; A130-K132 PolarHBondContact O-N 2.85Å; A130-H133 PolarHBondContact O-N 3.45Å; A130-Q134 PolarHBondContact O-N 3Å
131	L	89.4	Confident	86.3	Confident	112 Å²	112	105.8 Å²	105.8	59%	0.586	52%	0.519	S	S	*	.	H	α-helix	trans	-62.5	-41.5	176.4	-171.6	68.2	0	0	0	112	D127 Q134 Q135	D127-L131 WeakPolarHBondContact O-CB 3.38Å; D127-L131 PolarHBondContact O-N 2.93Å; L131-Q134 PolarHBondContact O-N 3.4Å; L131-Q135 PolarHBondContact O-N 3.18Å
132	K	85.6	Confident	86.4	Confident	117 Å²	117	108.4 Å²	108.4	51%	0.509	52%	0.524	S	S	.	.	H	α-helix	trans	-62.8	-43.7	175.2	-174.9	174.8	-174.7	-80.2	0	111.9	L128 L129 A130 Q134 Q135 E136	L128-K132 WeakPolarHBondContact O-CB 3.43Å; L128-K132 PolarHBondContact O-N 2.84Å; L129-K132 PolarHBondContact O-N 3.23Å; A130-K132 PolarHBondContact O-N 2.85Å; K132-Q134 VanDerWaalsContact C-N 3.32Å; K132-Q134 PolarHBondContact O-N 2.95Å; K132-Q135 WeakPolarHBondContact O-CB 3.22Å; K132-Q135 PolarHBondContact O-N 3.15Å; K132-E136 IonicContact NZ-OE1 2.93Å; K132-E136 PolarHBondContact NZ-OE1 2.73Å; K132-E136 WeakPolarHBondContact O-CG 3.43Å; K132-E136 PolarHBondContact O-N 3.31Å
133	H	84.2	Confident	86.4	Confident	108 Å²	108	110.3 Å²	110.3	50%	0.5	53%	0.529	S	S	.	.	H	α-helix	trans	-63	-39.9	176.7	-173.9	57.1	0	0	0	111.8	L129 A130 Q135 E136 L137	L129-H133 PolarHBondContact O-N 2.94Å; A130-H133 PolarHBondContact O-N 3.45Å; H133-Q135 VanDerWaalsContact C-N 3.33Å; H133-Q135 PolarHBondContact O-N 2.82Å; H133-E136 PolarHBondContact O-N 3.17Å; H133-L137 WeakPolarHBondContact O-CG 3.21Å; H133-L137 PolarHBondContact O-N 3.06Å
134	Q	85.8	Confident	86.1	Confident	118 Å²	118	108.4 Å²	108.4	55%	0.551	52%	0.523	S	S	*	.	H	α-helix	trans	-61.2	-39.6	173.7	-167.2	179.8	22.7	0	0	112.3	A130 L131 K132 L138	A130-Q134 PolarHBondContact O-N 3Å; L131-Q134 PolarHBondContact O-N 3.4Å; K132-Q134 VanDerWaalsContact C-N 3.32Å; K132-Q134 PolarHBondContact O-N 2.95Å; Q134-L138 WeakPolarHBondContact O-CG 3.32Å; Q134-L138 PolarHBondContact O-N 2.83Å
135	Q	86.4	Confident	85.8	Confident	116 Å²	116	107.3 Å²	107.3	54%	0.542	52%	0.519	S	S	.	.	H	α-helix	trans	-64.2	-45.3	173.5	-178.2	179.2	-21	0	0	112	L131 K132 H133 L137 L138 E139	L131-Q135 PolarHBondContact O-N 3.18Å; K132-Q135 WeakPolarHBondContact O-CB 3.22Å; K132-Q135 PolarHBondContact O-N 3.15Å; H133-Q135 VanDerWaalsContact C-N 3.33Å; H133-Q135 PolarHBondContact O-N 2.82Å; Q135-L137 VanDerWaalsContact C-N 3.31Å; Q135-L137 PolarHBondContact O-N 3.47Å; Q135-L138 PolarHBondContact O-N 3.18Å; Q135-L138 VanDerWaalsContact O-N 3.14Å; Q135-E139 PolarHBondContact NE2-OE1 3.37Å; Q135-E139 PolarHBondContact O-N 3.34Å
136	E	85.9	Confident	85.8	Confident	93 Å²	93	108.4 Å²	108.4	44%	0.435	52%	0.524	S	S	.	.	H	α-helix	trans	-60.6	-38.8	179.2	-73.1	173.3	-177.9	0	0	112.1	K132 H133 E139 H140	K132-E136 IonicContact NZ-OE1 2.93Å; K132-E136 PolarHBondContact NZ-OE1 2.73Å; K132-E136 WeakPolarHBondContact O-CG 3.43Å; K132-E136 PolarHBondContact O-N 3.31Å; H133-E136 PolarHBondContact O-N 3.17Å; E136-E139 PolarHBondContact O-N 3.21Å; E136-H140 WeakPolarHBondContact O-CB 3.27Å; E136-H140 PolarHBondContact O-N 3.02Å
137	L	85.1	Confident	85.9	Confident	101 Å²	101	107.7 Å²	107.7	53%	0.529	52%	0.52	S	S	.	.	H	α-helix	trans	-63.5	-41.8	173.5	-71.1	171.4	0	0	0	112.5	H133 Q135 H140 H141	H133-L137 WeakPolarHBondContact O-CG 3.21Å; H133-L137 PolarHBondContact O-N 3.06Å; Q135-L137 VanDerWaalsContact C-N 3.31Å; Q135-L137 PolarHBondContact O-N 3.47Å; L137-H140 PolarHBondContact O-N 2.86Å; L137-H141 PolarHBondContact O-N 3.46Å
138	L	85.6	Confident	85.9	Confident	109 Å²	109	110.5 Å²	110.5	57%	0.571	52%	0.524	S	S	*	.	H	α-helix	trans	-67.7	-38.1	176.8	-70.9	168.8	0	0	0	112.2	Q134 Q135 H141 R142	Q134-L138 WeakPolarHBondContact O-CG 3.32Å; Q134-L138 PolarHBondContact O-N 2.83Å; Q135-L138 PolarHBondContact O-N 3.18Å; Q135-L138 VanDerWaalsContact O-N 3.14Å; L138-H141 PolarHBondContact O-N 2.88Å; L138-R142 WeakPolarHBondContact O-CG 3.41Å; L138-R142 PolarHBondContact O-N 3Å; L138-R142 VanDerWaalsContact O-N 3.08Å
139	E	85.6	Confident	85.8	Confident	78 Å²	78	111.1 Å²	111.1	36%	0.364	52%	0.524	S	S	.	.	H	α-helix	trans	-68	-37.5	173	-75.2	-171.6	-152.2	0	0	112.7	Q135 E136 R142 K143	Q135-E139 PolarHBondContact NE2-OE1 3.37Å; Q135-E139 PolarHBondContact O-N 3.34Å; E136-E139 PolarHBondContact O-N 3.21Å; E139-R142 PolarHBondContact O-N 3.35Å; E139-K143 WeakPolarHBondContact O-CG 3.37Å; E139-K143 PolarHBondContact O-N 2.93Å; E139-K143 IonicContact OE2-NZ 2.73Å
140	H	85.4	Confident	85.9	Confident	118 Å²	118	112.4 Å²	112.4	55%	0.546	53%	0.527	S	S	.	.	H	α-helix	trans	-63	-42.7	173.1	-174.2	-90	0	0	0	111.3	E136 L137 R142 K143 M144	E136-H140 WeakPolarHBondContact O-CB 3.27Å; E136-H140 PolarHBondContact O-N 3.02Å; L137-H140 PolarHBondContact O-N 2.86Å; H140-R142 PolarHBondContact O-N 3.46Å; H140-K143 PolarHBondContact O-N 2.9Å; H140-M144 WeakPolarHBondContact O-CG 3.25Å; H140-M144 PolarHBondContact O-N 2.93Å
141	H	86.2	Confident	85.8	Confident	113 Å²	113	116 Å²	116	52%	0.523	53%	0.533	S	S	.	.	H	α-helix	trans	-58.7	-48.2	175.2	-158.9	104.7	0	0	0	111.6	L137 L138 K143 M144 E145	L137-H141 PolarHBondContact O-N 3.46Å; L138-H141 PolarHBondContact O-N 2.88Å; H141-K143 VanDerWaalsContact C-N 3.34Å; H141-K143 PolarHBondContact O-N 2.87Å; H141-M144 WeakPolarHBondContact O-CB 3.43Å; H141-M144 PolarHBondContact O-N 3Å; H141-M144 VanDerWaalsContact O-N 3.14Å; H141-E145 IonicContact CD2-OE2 3.69Å; H141-E145 PolarHBondContact O-N 3.12Å
142	R	88.5	Confident	85.7	Confident	176 Å²	176	115.5 Å²	115.5	66%	0.664	53%	0.528	S	S	*	.	H	α-helix	trans	-58.8	-41	176.3	-75.5	176.1	168.1	-174.6	-3.2	112.9	L138 E139 H140 E145 Q146	L138-R142 WeakPolarHBondContact O-CG 3.41Å; L138-R142 PolarHBondContact O-N 3Å; L138-R142 VanDerWaalsContact O-N 3.08Å; E139-R142 PolarHBondContact O-N 3.35Å; H140-R142 PolarHBondContact O-N 3.46Å; R142-E145 PolarHBondContact O-N 3.46Å; R142-Q146 WeakPolarHBondContact O-CG 3.37Å; R142-Q146 PolarHBondContact O-N 2.92Å
143	K	87.7	Confident	85.7	Confident	114 Å²	114	114.8 Å²	114.8	50%	0.496	53%	0.529	S	S	.	.	H	α-helix	trans	-63.6	-39.9	175.9	-73.8	163	-175.5	157.1	0	111.7	E139 H140 H141 Q146 Q147	E139-K143 WeakPolarHBondContact O-CG 3.37Å; E139-K143 PolarHBondContact O-N 2.93Å; E139-K143 IonicContact OE2-NZ 2.73Å; H140-K143 PolarHBondContact O-N 2.9Å; H141-K143 VanDerWaalsContact C-N 3.34Å; H141-K143 PolarHBondContact O-N 2.87Å; K143-Q146 PolarHBondContact O-N 3.14Å; K143-Q147 WeakPolarHBondContact O-CG 3.31Å; K143-Q147 PolarHBondContact O-N 3.41Å
144	M	81.1	Confident	85.8	Confident	90 Å²	90	113.9 Å²	113.9	44%	0.443	53%	0.525	S	S	.	.	H	α-helix	trans	-66.9	-35	175	-69.7	-62.5	-63.3	0	0	113.1	H140 H141 R148	H140-M144 WeakPolarHBondContact O-CG 3.25Å; H140-M144 PolarHBondContact O-N 2.93Å; H141-M144 WeakPolarHBondContact O-CB 3.43Å; H141-M144 PolarHBondContact O-N 3Å; H141-M144 VanDerWaalsContact O-N 3.14Å; M144-R148 WeakPolarHBondContact O-CB 3.3Å; M144-R148 PolarHBondContact O-N 3.17Å; M144-R148 VanDerWaalsContact O-N 3.17Å
145	E	82.7	Confident	85.9	Confident	92 Å²	92	114.2 Å²	114.2	43%	0.43	53%	0.525	S	S	.	.	H	α-helix	trans	-71.6	-37.1	173.4	-69.6	-167.9	111.2	0	0	113	H141 R142 R148 H149	H141-E145 IonicContact CD2-OE2 3.69Å; H141-E145 PolarHBondContact O-N 3.12Å; R142-E145 PolarHBondContact O-N 3.46Å; E145-R148 WeakPolarHBondContact O-CB 3.44Å; E145-R148 PolarHBondContact O-N 3.26Å; E145-H149 PolarHBondContact O-N 3.05Å; E145-H149 PolarHBondContact O-ND1 3.16Å
146	Q	85.9	Confident	85.9	Confident	133 Å²	133	113.7 Å²	113.7	62%	0.621	52%	0.522	S	S	*	.	H	α-helix	trans	-63.7	-48.3	174.2	-76.1	175.2	-16.8	0	0	111.4	R142 K143 R148 H149 E150	R142-Q146 WeakPolarHBondContact O-CG 3.37Å; R142-Q146 PolarHBondContact O-N 2.92Å; K143-Q146 PolarHBondContact O-N 3.14Å; Q146-R148 PolarHBondContact O-N 3.22Å; Q146-H149 PolarHBondContact O-N 2.82Å; Q146-H149 VanDerWaalsContact O-N 3.13Å; Q146-E150 PolarHBondContact O-N 3.1Å
147	Q	86.2	Confident	85.9	Confident	107 Å²	107	114.1 Å²	114.1	50%	0.5	52%	0.524	S	S	.	.	H	α-helix	trans	-59.5	-35.2	174.8	-74	-176.8	-3.1	0	0	112.3	K143 E150 Q151	K143-Q147 WeakPolarHBondContact O-CG 3.31Å; K143-Q147 PolarHBondContact O-N 3.41Å; Q147-E150 PolarHBondContact O-N 3.34Å; Q147-Q151 WeakPolarHBondContact O-CB 3.41Å; Q147-Q151 WeakPolarHBondContact O-CG 3.5Å; Q147-Q151 PolarHBondContact O-N 3.27Å
148	R	86.9	Confident	85.8	Confident	152 Å²	152	116.5 Å²	116.5	57%	0.574	53%	0.526	S	S	*	.	H	α-helix	trans	-65.7	-41.5	175.6	-162.8	-174.9	-54.8	-155.3	5.9	112.1	M144 E145 Q146 Q152	M144-R148 WeakPolarHBondContact O-CB 3.3Å; M144-R148 PolarHBondContact O-N 3.17Å; M144-R148 VanDerWaalsContact O-N 3.17Å; E145-R148 WeakPolarHBondContact O-CB 3.44Å; E145-R148 PolarHBondContact O-N 3.26Å; Q146-R148 PolarHBondContact O-N 3.22Å; R148-Q152 WeakPolarHBondContact O-CG 3.27Å; R148-Q152 PolarHBondContact O-N 2.99Å; R148-Q152 VanDerWaalsContact O-N 3.14Å
149	H	85	Confident	85.7	Confident	116 Å²	116	116 Å²	116	54%	0.537	52%	0.521	S	S	.	.	H	α-helix	trans	-67.2	-41.5	174	-79.2	84.4	0	0	0	112.2	E145 Q146 Q152 L153	E145-H149 PolarHBondContact O-N 3.05Å; E145-H149 PolarHBondContact O-ND1 3.16Å; Q146-H149 PolarHBondContact O-N 2.82Å; Q146-H149 VanDerWaalsContact O-N 3.13Å; H149-Q152 PolarHBondContact O-N 3.36Å; H149-L153 PolarHBondContact O-N 2.98Å
150	E	87.3	Confident	85.6	Confident	136 Å²	136	118 Å²	118	64%	0.636	53%	0.531	S	S	*	.	H	α-helix	trans	-62.7	-44.3	177.8	-171.6	171.9	-157.6	0	0	111.5	Q146 Q147 Q152 L153 E154	Q146-E150 PolarHBondContact O-N 3.1Å; Q147-E150 PolarHBondContact O-N 3.34Å; E150-Q152 VanDerWaalsContact C-N 3.33Å; E150-Q152 PolarHBondContact O-N 3.37Å; E150-L153 PolarHBondContact O-N 2.85Å; E150-E154 PolarHBondContact O-N 2.9Å
151	Q	86.3	Confident	85.4	Confident	137 Å²	137	118.2 Å²	118.2	64%	0.64	53%	0.53	S	S	*	.	H	α-helix	trans	-62.6	-35.9	173.3	-73.9	-178.4	9.3	0	0	113	Q147 K155	Q147-Q151 WeakPolarHBondContact O-CB 3.41Å; Q147-Q151 WeakPolarHBondContact O-CG 3.5Å; Q147-Q151 PolarHBondContact O-N 3.27Å; Q151-K155 VanDerWaalsContact O-CB 3.28Å; Q151-K155 WeakPolarHBondContact O-CB 3.34Å; Q151-K155 PolarHBondContact O-N 3.22Å
152	Q	86.4	Confident	85	Confident	102 Å²	102	118.6 Å²	118.6	48%	0.477	54%	0.535	S	S	.	.	H	α-helix	trans	-67.5	-42.4	174.6	-74.9	178.9	8.3	0	0	111.9	R148 H149 E150 K155 Q156	R148-Q152 WeakPolarHBondContact O-CG 3.27Å; R148-Q152 PolarHBondContact O-N 2.99Å; R148-Q152 VanDerWaalsContact O-N 3.14Å; H149-Q152 PolarHBondContact O-N 3.36Å; E150-Q152 VanDerWaalsContact C-N 3.33Å; E150-Q152 PolarHBondContact O-N 3.37Å; Q152-K155 PolarHBondContact O-N 3.46Å; Q152-Q156 WeakPolarHBondContact O-CG 3.48Å; Q152-Q156 PolarHBondContact O-N 2.84Å
153	L	86.6	Confident	84.4	Confident	102 Å²	102	116.2 Å²	116.2	53%	0.534	53%	0.531	S	S	.	.	H	α-helix	trans	-63.4	-43.5	174.3	-76.5	164.5	0	0	0	111.7	H149 E150 Q156 Q157	H149-L153 PolarHBondContact O-N 2.98Å; E150-L153 PolarHBondContact O-N 2.85Å; L153-Q156 PolarHBondContact O-N 2.99Å; L153-Q157 WeakPolarHBondContact O-CG 3.45Å; L153-Q157 PolarHBondContact O-N 2.9Å
154	E	85.6	Confident	83.8	Confident	89 Å²	89	117 Å²	117	42%	0.416	54%	0.537	S	S	.	.	H	α-helix	trans	-65.7	-40	177.8	-144.9	-131.3	139.7	0	0	111.3	E150 Q157 R158	E150-E154 PolarHBondContact O-N 2.9Å; E154-Q157 PolarHBondContact O-N 3.39Å; E154-R158 WeakPolarHBondContact O-CG 3.3Å; E154-R158 PolarHBondContact O-N 2.77Å; E154-R158 IonicContact OE1-CZ 3.57Å; E154-R158 IonicContact OE1-NE 3.23Å; E154-R158 PolarHBondContact OE1-NE 2.88Å; E154-R158 IonicContact OE1-NH2 3.57Å; E154-R158 PolarHBondContact OE1-NH2 2.83Å; E154-R158 IonicContact OE2-CZ 3.66Å; E154-R158 IonicContact OE2-NE 3.14Å; E154-R158 IonicContact OE2-NH2 2.69Å; E154-R158 PolarHBondContact OE2-NH2 3.31Å
155	K	87.6	Confident	83.5	Confident	125 Å²	125	117.8 Å²	117.8	54%	0.543	54%	0.542	S	S	.	.	H	α-helix	trans	-59.5	-48.9	172.6	-179.5	-179.2	168	-176.6	0	111.5	Q151 Q152 Q157 R158 E159	Q151-K155 VanDerWaalsContact O-CB 3.28Å; Q151-K155 WeakPolarHBondContact O-CB 3.34Å; Q151-K155 PolarHBondContact O-N 3.22Å; Q152-K155 PolarHBondContact O-N 3.46Å; K155-Q157 VanDerWaalsContact C-N 3.32Å; K155-Q157 PolarHBondContact O-N 2.96Å; K155-R158 WeakPolarHBondContact O-CB 3.16Å; K155-R158 PolarHBondContact O-N 2.93Å; K155-R158 VanDerWaalsContact O-N 3.14Å; K155-E159 WeakPolarHBondContact CE-OE1 3.4Å; K155-E159 IonicContact NZ-OE1 2.74Å; K155-E159 WeakPolarHBondContact O-CG 3.46Å; K155-E159 PolarHBondContact O-N 2.87Å
156	Q	86.4	Confident	83	Confident	105 Å²	105	120.4 Å²	120.4	49%	0.491	55%	0.552	S	S	.	*	H	α-helix	trans	-60.3	-40.3	177.1	-73.5	177.2	12.3	0	0	111.9	Q152 L153 E159 Q160	Q152-Q156 WeakPolarHBondContact O-CG 3.48Å; Q152-Q156 PolarHBondContact O-N 2.84Å; L153-Q156 PolarHBondContact O-N 2.99Å; Q156-E159 PolarHBondContact O-N 3.31Å; Q156-Q160 WeakPolarHBondContact O-CB 3.39Å; Q156-Q160 WeakPolarHBondContact O-CG 3.27Å; Q156-Q160 PolarHBondContact O-N 2.92Å
157	Q	86.6	Confident	82.1	Confident	102 Å²	102	119 Å²	119	48%	0.477	55%	0.549	S	S	.	.	H	α-helix	trans	-64.8	-38.5	174.3	-73.2	-172.5	31.8	0	0	112.9	L153 E154 K155 K161	L153-Q157 WeakPolarHBondContact O-CG 3.45Å; L153-Q157 PolarHBondContact O-N 2.9Å; E154-Q157 PolarHBondContact O-N 3.39Å; K155-Q157 VanDerWaalsContact C-N 3.32Å; K155-Q157 PolarHBondContact O-N 2.96Å; Q157-K161 WeakPolarHBondContact O-CB 3.47Å; Q157-K161 WeakPolarHBondContact O-CD 3.38Å; Q157-K161 VanDerWaalsContact O-CG 3.27Å; Q157-K161 WeakPolarHBondContact O-CG 3.28Å; Q157-K161 PolarHBondContact O-N 3.13Å
158	R	82.9	Confident	81.1	Confident	151 Å²	151	121 Å²	121	57%	0.57	56%	0.556	S	S	*	*	H	α-helix	trans	-64.8	-43.6	174.7	-72	176.5	-174.4	-164.2	10.7	111.1	E154 K155 K161 L162	E154-R158 WeakPolarHBondContact O-CG 3.3Å; E154-R158 PolarHBondContact O-N 2.77Å; E154-R158 IonicContact OE1-CZ 3.57Å; E154-R158 IonicContact OE1-NE 3.23Å; E154-R158 PolarHBondContact OE1-NE 2.88Å; E154-R158 IonicContact OE1-NH2 3.57Å; E154-R158 PolarHBondContact OE1-NH2 2.83Å; E154-R158 IonicContact OE2-CZ 3.66Å; E154-R158 IonicContact OE2-NE 3.14Å; E154-R158 IonicContact OE2-NH2 2.69Å; E154-R158 PolarHBondContact OE2-NH2 3.31Å; K155-R158 WeakPolarHBondContact O-CB 3.16Å; K155-R158 PolarHBondContact O-N 2.93Å; K155-R158 VanDerWaalsContact O-N 3.14Å; R158-K161 PolarHBondContact O-N 2.64Å; R158-L162 WeakPolarHBondContact O-CB 3.34Å; R158-L162 PolarHBondContact O-N 2.78Å
159	E	82.8	Confident	79.7	Confident	97 Å²	97	119.6 Å²	119.6	45%	0.453	56%	0.556	S	S	.	*	H	α-helix	trans	-63.8	-44.4	176.5	-73	173.4	167.2	0	0	111.7	K155 Q156 K161 L162 Q163	K155-E159 WeakPolarHBondContact CE-OE1 3.4Å; K155-E159 IonicContact NZ-OE1 2.74Å; K155-E159 WeakPolarHBondContact O-CG 3.46Å; K155-E159 PolarHBondContact O-N 2.87Å; Q156-E159 PolarHBondContact O-N 3.31Å; E159-K161 PolarHBondContact O-N 3.5Å; E159-L162 WeakPolarHBondContact O-CB 3.39Å; E159-L162 PolarHBondContact O-N 3.18Å; E159-Q163 PolarHBondContact O-N 3.36Å
160	Q	83	Confident	78.4	Confident	122 Å²	122	123.1 Å²	123.1	57%	0.57	57%	0.565	S	S	*	*	H	α-helix	trans	-60.9	-42.3	173.6	-74.5	-178.3	5.6	0	0	112.8	Q156 L162 Q163 Q164	Q156-Q160 WeakPolarHBondContact O-CB 3.39Å; Q156-Q160 WeakPolarHBondContact O-CG 3.27Å; Q156-Q160 PolarHBondContact O-N 2.92Å; Q160-L162 VanDerWaalsContact C-N 3.33Å; Q160-L162 PolarHBondContact O-N 2.99Å; Q160-Q163 WeakPolarHBondContact O-CB 3.48Å; Q160-Q163 PolarHBondContact O-N 3.43Å; Q160-Q164 WeakPolarHBondContact O-CG 3.45Å; Q160-Q164 PolarHBondContact O-N 2.93Å
161	K	82.4	Confident	77	Confident	121 Å²	121	119 Å²	119	53%	0.526	56%	0.558	S	S	.	*	H	α-helix	trans	-63	-39.4	174.7	-75	165.7	-177	164.6	0	111.5	Q157 R158 E159 Q164 L165	Q157-K161 WeakPolarHBondContact O-CB 3.47Å; Q157-K161 WeakPolarHBondContact O-CD 3.38Å; Q157-K161 VanDerWaalsContact O-CG 3.27Å; Q157-K161 WeakPolarHBondContact O-CG 3.28Å; Q157-K161 PolarHBondContact O-N 3.13Å; R158-K161 PolarHBondContact O-N 2.64Å; E159-K161 PolarHBondContact O-N 3.5Å; K161-Q164 PolarHBondContact O-N 3.46Å; K161-L165 WeakPolarHBondContact O-CG 3.44Å; K161-L165 PolarHBondContact O-N 2.65Å
162	L	77.9	Confident	75.4	Confident	122 Å²	122	118.6 Å²	118.6	64%	0.639	56%	0.556	S	S	*	*	H	α-helix	trans	-64.1	-42	174.8	-149.4	79.7	0	0	0	111.7	R158 E159 Q160 Q164 L165 K166	R158-L162 WeakPolarHBondContact O-CB 3.34Å; R158-L162 PolarHBondContact O-N 2.78Å; E159-L162 WeakPolarHBondContact O-CB 3.39Å; E159-L162 PolarHBondContact O-N 3.18Å; Q160-L162 VanDerWaalsContact C-N 3.33Å; Q160-L162 PolarHBondContact O-N 2.99Å; L162-Q164 VanDerWaalsContact C-N 3.35Å; L162-Q164 PolarHBondContact O-N 3.49Å; L162-L165 PolarHBondContact O-N 3.42Å; L162-K166 WeakPolarHBondContact O-CB 3.46Å; L162-K166 PolarHBondContact O-N 3.27Å
163	Q	75.1	Confident	73.6	Confident	125 Å²	125	120.7 Å²	120.7	58%	0.584	57%	0.566	S	S	*	*	H	α-helix	trans	-59.9	-43.4	175.1	-150.4	84.9	-8.5	0	0	111.5	E159 Q160 K166 N167	E159-Q163 PolarHBondContact O-N 3.36Å; Q160-Q163 WeakPolarHBondContact O-CB 3.48Å; Q160-Q163 PolarHBondContact O-N 3.43Å; Q163-K166 PolarHBondContact O-N 3.12Å; Q163-N167 WeakPolarHBondContact O-CB 3.41Å; Q163-N167 VanDerWaalsContact O-CG 3.27Å; Q163-N167 PolarHBondContact O-N 3.15Å; Q163-N167 PolarHBondContact O-ND2 3.47Å
164	Q	75.4	Confident	72.1	Confident	130 Å²	130	120.7 Å²	120.7	61%	0.607	58%	0.575	S	S	*	*	H	α-helix	trans	-65.9	-41.2	177.1	-71.7	174.4	10	0	0	112.4	Q160 K161 L162 K168	Q160-Q164 WeakPolarHBondContact O-CG 3.45Å; Q160-Q164 PolarHBondContact O-N 2.93Å; K161-Q164 PolarHBondContact O-N 3.46Å; L162-Q164 VanDerWaalsContact C-N 3.35Å; L162-Q164 PolarHBondContact O-N 3.49Å; Q164-K168 WeakPolarHBondContact O-CB 3.38Å; Q164-K168 PolarHBondContact O-N 2.96Å; Q164-K168 VanDerWaalsContact O-N 3.09Å
165	L	74.1	Confident	70.7	Confident	108 Å²	108	120.6 Å²	120.6	57%	0.565	59%	0.589	S	S	*	*	H	α-helix	trans	-63.4	-46.9	174.8	-71.5	170.5	0	0	0	111.5	K161 L162 N167 K168 E169	K161-L165 WeakPolarHBondContact O-CG 3.44Å; K161-L165 PolarHBondContact O-N 2.65Å; L162-L165 PolarHBondContact O-N 3.42Å; L165-N167 VanDerWaalsContact C-N 3.32Å; L165-N167 PolarHBondContact O-N 3.23Å; L165-K168 WeakPolarHBondContact O-CA 3.48Å; L165-K168 VanDerWaalsContact O-CB 3.31Å; L165-K168 WeakPolarHBondContact O-CB 3.36Å; L165-K168 PolarHBondContact O-N 2.96Å; L165-E169 PolarHBondContact O-N 3.24Å
166	K	71.9	Confident	69.1	Low	147 Å²	147	120.3 Å²	120.3	64%	0.639	60%	0.598	S	S	*	*	H	α-helix	trans	-62	-37.8	178.5	-168.4	170.7	-174.2	172.9	0	112.7	L162 Q163 K168 R170	L162-K166 WeakPolarHBondContact O-CB 3.46Å; L162-K166 PolarHBondContact O-N 3.27Å; Q163-K166 PolarHBondContact O-N 3.12Å; K166-K168 VanDerWaalsContact C-N 3.28Å; K166-K168 PolarHBondContact O-N 2.93Å; K166-R170 WeakPolarHBondContact O-CB 3.38Å; K166-R170 PolarHBondContact O-N 2.79Å; K166-R170 VanDerWaalsContact O-N 3.12Å
167	N	67.9	Low	67.8	Low	104 Å²	104	118.8 Å²	118.8	56%	0.556	60%	0.603	S	S	*	*	H	α-helix	trans	-67.9	-27.9	172.5	-73.3	-14.4	0	0	0	112.7	Q163 L165 G171	Q163-N167 WeakPolarHBondContact O-CB 3.41Å; Q163-N167 VanDerWaalsContact O-CG 3.27Å; Q163-N167 PolarHBondContact O-N 3.15Å; Q163-N167 PolarHBondContact O-ND2 3.47Å; L165-N167 VanDerWaalsContact C-N 3.32Å; L165-N167 PolarHBondContact O-N 3.23Å; N167-G171 PolarHBondContact O-N 2.93Å
168	K	66	Low	66.9	Low	147 Å²	147	117.1 Å²	117.1	64%	0.639	60%	0.603	S	S	*	*	H	α-helix	trans	-77.7	-39.5	177.6	-164.3	175.3	-176.4	178.2	0	112.2	Q164 L165 K166 G171 Q172	Q164-K168 WeakPolarHBondContact O-CB 3.38Å; Q164-K168 PolarHBondContact O-N 2.96Å; Q164-K168 VanDerWaalsContact O-N 3.09Å; L165-K168 WeakPolarHBondContact O-CA 3.48Å; L165-K168 VanDerWaalsContact O-CB 3.31Å; L165-K168 WeakPolarHBondContact O-CB 3.36Å; L165-K168 PolarHBondContact O-N 2.96Å; K166-K168 VanDerWaalsContact C-N 3.28Å; K166-K168 PolarHBondContact O-N 2.93Å; K168-G171 PolarHBondContact O-N 3.11Å; K168-Q172 PolarHBondContact O-N 3.42Å
169	E	57.7	Low	66	Low	123 Å²	123	115.2 Å²	115.2	58%	0.575	61%	0.608	S	S	*	*	H	α-helix	trans	-59.8	-46.6	169.5	-73.6	179.2	128.1	0	0	111.2	L165 G171 Q172 E173	L165-E169 PolarHBondContact O-N 3.24Å; E169-G171 PolarHBondContact O-N 2.88Å; E169-Q172 WeakPolarHBondContact O-CA 3.33Å; E169-Q172 PolarHBondContact O-N 2.8Å; E169-E173 PolarHBondContact O-N 3.35Å
170	R	56.5	Low	65.5	Low	191 Å²	191	115.6 Å²	115.6	72%	0.721	61%	0.61	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.5	-18.6	179	-154	177.5	-167.9	-166.8	2.2	114.1	K166	K166-R170 WeakPolarHBondContact O-CB 3.38Å; K166-R170 PolarHBondContact O-N 2.79Å; K166-R170 VanDerWaalsContact O-N 3.12Å
171	G	57.7	Low	64.8	Low	49 Å²	49	113.9 Å²	113.9	51%	0.505	61%	0.608	S	S	.	*	T	Hydrogen-bonded Turn	trans	-91.1	-12.7	170.7	0	0	0	0	0	114.9	N167 K168 E169 S174	N167-G171 PolarHBondContact O-N 2.93Å; K168-G171 PolarHBondContact O-N 3.11Å; E169-G171 PolarHBondContact O-N 2.88Å; G171-S174 PolarHBondContact O-OG 3.32Å
172	Q	52.9	Low	64.1	Low	128 Å²	128	115.1 Å²	115.1	60%	0.598	61%	0.613	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.9	-35	175.1	-70.7	-173.8	-22.5	0	0	112.3	K168 E169 S174 A175	K168-Q172 PolarHBondContact O-N 3.42Å; E169-Q172 WeakPolarHBondContact O-CA 3.33Å; E169-Q172 PolarHBondContact O-N 2.8Å; Q172-S174 PolarHBondContact O-N 2.81Å; Q172-A175 PolarHBondContact O-N 3.19Å; Q172-A175 VanDerWaalsContact O-N 3.15Å
173	E	49.3	Very low	63.9	Low	147 Å²	147	115.6 Å²	115.6	69%	0.687	61%	0.613	S	S	*	*	G	3₁₀ helix	trans	-57.2	-33.9	176	-69.3	-180	136.9	0	0	112.6	E169 A175	E169-E173 PolarHBondContact O-N 3.35Å; E173-A175 PolarHBondContact O-N 2.79Å; E173-A175 VanDerWaalsContact O-N 3.13Å
174	S	54.9	Low	64	Low	101 Å²	101	116.9 Å²	116.9	71%	0.706	61%	0.613	S	S	*	*	G	3₁₀ helix	trans	-71.2	1.5	179	44.1	0	0	0	0	115.6	G171 Q172	G171-S174 PolarHBondContact O-OG 3.32Å; Q172-S174 PolarHBondContact O-N 2.81Å
175	A	55.4	Low	64.1	Low	87 Å²	87	115.9 Å²	115.9	72%	0.719	61%	0.611	S	S	*	*	G	3₁₀ helix	trans	-127.6	10.2	-176.9	0	0	0	0	0	115	Q172 E173	Q172-A175 PolarHBondContact O-N 3.19Å; Q172-A175 VanDerWaalsContact O-N 3.15Å; E173-A175 PolarHBondContact O-N 2.79Å; E173-A175 VanDerWaalsContact O-N 3.13Å
176	V	54.2	Low	64.1	Low	119 Å²	119	116.6 Å²	116.6	72%	0.721	61%	0.612	S	S	*	*			trans	-105	104.9	179.8	-174.7	0	0	0	0	111	S178	V176-S178 PolarHBondContact O-N 2.99Å
177	A	59.4	Low	64.5	Low	74 Å²	74	115.2 Å²	115.2	61%	0.612	61%	0.608	S	S	*	*			trans	-62.3	134.2	173.1	0	0	0	0	0	111.3
178	S	67.8	Low	65	Low	66 Å²	66	116.4 Å²	116.4	46%	0.462	61%	0.608	S	S	.	*			trans	-51.3	144.6	-174.2	175	0	0	0	0	113.7	V176 E180 V181 K182	V176-S178 PolarHBondContact O-N 2.99Å; S178-E180 PolarHBondContact O-N 3.16Å; S178-E180 PolarHBondContact OG-N 2.92Å; S178-V181 WeakPolarHBondContact O-CB 3.41Å; S178-V181 PolarHBondContact O-N 2.63Å; S178-K182 PolarHBondContact O-N 2.98Å
179	T	64.9	Low	65.7	Low	112 Å²	112	112.9 Å²	112.9	69%	0.687	60%	0.598	S	S	*	*	H	α-helix	trans	-54.8	-33.9	174.5	38.7	0	0	0	0	112.7	K182 M183	T179-K182 PolarHBondContact O-N 2.81Å; T179-M183 WeakPolarHBondContact O-CB 3.48Å; T179-M183 WeakPolarHBondContact O-CG 3.41Å; T179-M183 PolarHBondContact O-N 3.33Å
180	E	71.1	Confident	66.6	Low	104 Å²	104	112.1 Å²	112.1	49%	0.486	60%	0.598	S	S	.	*	H	α-helix	trans	-59	-48.7	173	-172.1	67.2	-152.3	0	0	110.9	S178 K182 M183 R184	S178-E180 PolarHBondContact O-N 3.16Å; S178-E180 PolarHBondContact OG-N 2.92Å; E180-K182 VanDerWaalsContact C-N 3.33Å; E180-K182 PolarHBondContact O-N 3.13Å; E180-M183 WeakPolarHBondContact O-CB 3.25Å; E180-M183 PolarHBondContact O-N 3.38Å; E180-R184 WeakPolarHBondContact O-CG 3.5Å; E180-R184 PolarHBondContact O-N 3.49Å; E180-R184 IonicContact OE1-CZ 3.46Å; E180-R184 IonicContact OE1-NE 3.05Å; E180-R184 PolarHBondContact OE1-NE 2.92Å; E180-R184 IonicContact OE1-NH2 2.94Å; E180-R184 PolarHBondContact OE1-NH2 2.88Å
181	V	68.1	Low	67.6	Low	87 Å²	87	108 Å²	108	53%	0.527	59%	0.59	S	S	.	*	H	α-helix	trans	-64.6	-39.7	178.5	-178.6	0	0	0	0	110.8	S178 R184 L185	S178-V181 WeakPolarHBondContact O-CB 3.41Å; S178-V181 PolarHBondContact O-N 2.63Å; V181-R184 PolarHBondContact O-N 3.01Å; V181-L185 VanDerWaalsContact O-CB 3.25Å; V181-L185 WeakPolarHBondContact O-CB 3.43Å; V181-L185 PolarHBondContact O-N 3.19Å
182	K	67.8	Low	68.3	Low	146 Å²	146	111.5 Å²	111.5	64%	0.635	59%	0.591	S	S	*	*	H	α-helix	trans	-65.6	-41.3	177.9	-161.4	173	-175.8	176.9	0	112.1	S178 T179 E180 Q186	S178-K182 PolarHBondContact O-N 2.98Å; T179-K182 PolarHBondContact O-N 2.81Å; E180-K182 VanDerWaalsContact C-N 3.33Å; E180-K182 PolarHBondContact O-N 3.13Å; K182-Q186 VanDerWaalsContact O-CB 3.31Å; K182-Q186 WeakPolarHBondContact O-CB 3.46Å; K182-Q186 PolarHBondContact O-N 3.35Å
183	M	74	Confident	69.2	Low	132 Å²	132	112.5 Å²	112.5	65%	0.65	59%	0.594	S	S	*	*	H	α-helix	trans	-60.9	-54	172.6	-76.8	-86	-74.5	0	0	111.3	T179 E180 L185 Q186 E187	T179-M183 WeakPolarHBondContact O-CB 3.48Å; T179-M183 WeakPolarHBondContact O-CG 3.41Å; T179-M183 PolarHBondContact O-N 3.33Å; E180-M183 WeakPolarHBondContact O-CB 3.25Å; E180-M183 PolarHBondContact O-N 3.38Å; M183-L185 VanDerWaalsContact C-N 3.31Å; M183-L185 PolarHBondContact O-N 3.07Å; M183-Q186 PolarHBondContact O-N 2.77Å; M183-Q186 VanDerWaalsContact O-N 3.15Å; M183-E187 WeakPolarHBondContact O-CB 3.37Å; M183-E187 PolarHBondContact O-N 3.01Å
184	R	78.1	Confident	70.1	Confident	153 Å²	153	112.8 Å²	112.8	58%	0.577	59%	0.593	S	S	*	*	H	α-helix	trans	-60.2	-38.8	179.6	-64	-69.6	-179	137.3	8.1	112.2	E180 V181 F188	E180-R184 WeakPolarHBondContact O-CG 3.5Å; E180-R184 PolarHBondContact O-N 3.49Å; E180-R184 IonicContact OE1-CZ 3.46Å; E180-R184 IonicContact OE1-NE 3.05Å; E180-R184 PolarHBondContact OE1-NE 2.92Å; E180-R184 IonicContact OE1-NH2 2.94Å; E180-R184 PolarHBondContact OE1-NH2 2.88Å; V181-R184 PolarHBondContact O-N 3.01Å; R184-F188 WeakPolarHBondContact O-CB 3.42Å; R184-F188 PolarHBondContact O-N 2.93Å
185	L	75.8	Confident	70.2	Confident	108 Å²	108	110.8 Å²	110.8	57%	0.565	58%	0.582	S	S	*	*	H	α-helix	trans	-68.4	-39.8	176.6	-171.1	67.1	0	0	0	111.8	V181 M183 F188 V189	V181-L185 VanDerWaalsContact O-CB 3.25Å; V181-L185 WeakPolarHBondContact O-CB 3.43Å; V181-L185 PolarHBondContact O-N 3.19Å; M183-L185 VanDerWaalsContact C-N 3.31Å; M183-L185 PolarHBondContact O-N 3.07Å; L185-F188 PolarHBondContact O-N 3.27Å; L185-V189 WeakPolarHBondContact O-CB 3.36Å; L185-V189 VanDerWaalsContact O-CG2 3.28Å; L185-V189 WeakPolarHBondContact O-CG2 3.39Å; L185-V189 PolarHBondContact O-N 3.36Å
186	Q	75.2	Confident	70.4	Confident	123 Å²	123	112.2 Å²	112.2	58%	0.575	58%	0.577	S	S	*	*	H	α-helix	trans	-68	-41.3	176.7	-176.4	166.8	-21.8	0	0	112	K182 M183 V189 L190	K182-Q186 VanDerWaalsContact O-CB 3.31Å; K182-Q186 WeakPolarHBondContact O-CB 3.46Å; K182-Q186 PolarHBondContact O-N 3.35Å; M183-Q186 PolarHBondContact O-N 2.77Å; M183-Q186 VanDerWaalsContact O-N 3.15Å; Q186-V189 PolarHBondContact O-N 3.17Å; Q186-L190 HydrophobicContact CG-CD1 4.35Å; Q186-L190 WeakPolarHBondContact O-CB 3.44Å; Q186-L190 WeakPolarHBondContact O-CG 3.12Å; Q186-L190 PolarHBondContact O-N 3.41Å
187	E	79.6	Confident	70.6	Confident	119 Å²	119	110.5 Å²	110.5	56%	0.556	58%	0.575	S	S	*	*	H	α-helix	trans	-60.9	-48.3	171	-178.2	177.8	-143.1	0	0	111.3	M183 V189 L190 N191	M183-E187 WeakPolarHBondContact O-CB 3.37Å; M183-E187 PolarHBondContact O-N 3.01Å; E187-V189 VanDerWaalsContact C-N 3.35Å; E187-V189 PolarHBondContact O-N 3.24Å; E187-L190 PolarHBondContact O-N 3.22Å; E187-L190 VanDerWaalsContact O-N 3.16Å; E187-N191 PolarHBondContact O-N 2.86Å
188	F	78.6	Confident	70.3	Confident	129 Å²	129	115.2 Å²	115.2	57%	0.566	59%	0.585	S	S	*	*	H	α-helix	trans	-59.8	-41.5	177.1	-178.4	-100.3	0	0	0	112.4	R184 L185 N191 K192	R184-F188 WeakPolarHBondContact O-CB 3.42Å; R184-F188 PolarHBondContact O-N 2.93Å; L185-F188 PolarHBondContact O-N 3.27Å; F188-N191 PolarHBondContact O-N 2.68Å; F188-K192 HydrophobicContact CE1-CD 4.25Å; F188-K192 WeakPolarHBondContact O-CB 3.47Å; F188-K192 PolarHBondContact O-N 2.9Å
189	V	80	Confident	69.3	Low	72 Å²	72	121.8 Å²	121.8	44%	0.436	60%	0.6	S	S	.	*	H	α-helix	trans	-66.8	-38.3	175.5	168.1	0	0	0	0	111.8	L185 Q186 E187 K193	L185-V189 WeakPolarHBondContact O-CB 3.36Å; L185-V189 VanDerWaalsContact O-CG2 3.28Å; L185-V189 WeakPolarHBondContact O-CG2 3.39Å; L185-V189 PolarHBondContact O-N 3.36Å; Q186-V189 PolarHBondContact O-N 3.17Å; E187-V189 VanDerWaalsContact C-N 3.35Å; E187-V189 PolarHBondContact O-N 3.24Å; V189-K193 WeakPolarHBondContact O-CB 3.49Å; V189-K193 PolarHBondContact O-N 3.49Å
190	L	76.6	Confident	68.5	Low	108 Å²	108	123.9 Å²	123.9	57%	0.565	61%	0.606	S	S	*	*	H	α-helix	trans	-66.9	-44.4	174.6	-78.2	165.3	0	0	0	112	Q186 E187 K193 K194	Q186-L190 HydrophobicContact CG-CD1 4.35Å; Q186-L190 WeakPolarHBondContact O-CB 3.44Å; Q186-L190 WeakPolarHBondContact O-CG 3.12Å; Q186-L190 PolarHBondContact O-N 3.41Å; E187-L190 PolarHBondContact O-N 3.22Å; E187-L190 VanDerWaalsContact O-N 3.16Å; L190-K193 PolarHBondContact O-N 3.37Å; L190-K194 PolarHBondContact O-N 2.94Å
191	N	77.8	Confident	67.1	Low	103 Å²	103	125.3 Å²	125.3	55%	0.551	62%	0.617	S	S	*	*	H	α-helix	trans	-66.1	-40.3	176.6	-118.6	-2.7	0	0	0	111.4	E187 F188 K193 K194 A195	E187-N191 PolarHBondContact O-N 2.86Å; F188-N191 PolarHBondContact O-N 2.68Å; N191-K193 VanDerWaalsContact C-N 3.34Å; N191-K193 PolarHBondContact O-N 2.75Å; N191-K194 PolarHBondContact O-N 2.75Å; N191-A195 WeakPolarHBondContact O-CB 3.49Å; N191-A195 PolarHBondContact O-N 2.97Å
192	K	73.6	Confident	65.5	Low	123 Å²	123	127 Å²	127	54%	0.535	62%	0.623	S	S	.	*	H	α-helix	trans	-63.1	-37.6	174	-169.4	168.5	-176.4	174.4	0	112	F188 L196	F188-K192 HydrophobicContact CE1-CD 4.25Å; F188-K192 WeakPolarHBondContact O-CB 3.47Å; F188-K192 PolarHBondContact O-N 2.9Å; K192-L196 HydrophobicContact CG-CD1 4.19Å; K192-L196 WeakPolarHBondContact O-CB 3.14Å; K192-L196 VanDerWaalsContact O-CG 3.25Å; K192-L196 WeakPolarHBondContact O-CG 3.28Å; K192-L196 PolarHBondContact O-N 2.77Å
193	K	71.8	Confident	63.8	Low	149 Å²	149	128 Å²	128	65%	0.648	63%	0.629	S	S	*	*	H	α-helix	trans	-66.9	-41.7	171.3	-81.9	-172.2	173.1	-175.1	0	112.8	V189 L190 N191 L196 A197	V189-K193 WeakPolarHBondContact O-CB 3.49Å; V189-K193 PolarHBondContact O-N 3.49Å; L190-K193 PolarHBondContact O-N 3.37Å; N191-K193 VanDerWaalsContact C-N 3.34Å; N191-K193 PolarHBondContact O-N 2.75Å; K193-L196 PolarHBondContact O-N 3.31Å; K193-A197 WeakPolarHBondContact O-CB 3.37Å; K193-A197 PolarHBondContact O-N 3.45Å
194	K	67.6	Low	61.7	Low	154 Å²	154	127.1 Å²	127.1	67%	0.67	64%	0.635	S	S	*	*	H	α-helix	trans	-60.9	-46.5	173.5	-93.1	-174.4	172.1	-178.8	0	112.2	L190 N191 L196 A197 Q198	L190-K194 PolarHBondContact O-N 2.94Å; N191-K194 PolarHBondContact O-N 2.75Å; K194-L196 PolarHBondContact O-N 2.92Å; K194-A197 PolarHBondContact O-N 3.39Å; K194-Q198 PolarHBondContact O-N 3.38Å
195	A	57.8	Low	59.4	Low	59 Å²	59	127.6 Å²	127.6	49%	0.488	65%	0.648	S	S	.	*	H	α-helix	trans	-63.8	-38.8	179.2	0	0	0	0	0	112.7	N191 Q198	N191-A195 WeakPolarHBondContact O-CB 3.49Å; N191-A195 PolarHBondContact O-N 2.97Å; A195-Q198 PolarHBondContact O-N 2.97Å
196	L	59.6	Low	58	Low	116 Å²	116	127.8 Å²	127.8	61%	0.607	66%	0.656	S	S	*	*	H	α-helix	trans	-70.8	-34.8	175	-71.6	169.1	0	0	0	112.5	K192 K193 K194 Q198 R199	K192-L196 HydrophobicContact CG-CD1 4.19Å; K192-L196 WeakPolarHBondContact O-CB 3.14Å; K192-L196 VanDerWaalsContact O-CG 3.25Å; K192-L196 WeakPolarHBondContact O-CG 3.28Å; K192-L196 PolarHBondContact O-N 2.77Å; K193-L196 PolarHBondContact O-N 3.31Å; K194-L196 PolarHBondContact O-N 2.92Å; L196-Q198 VanDerWaalsContact C-N 3.26Å; L196-Q198 PolarHBondContact O-N 2.86Å; L196-R199 PolarHBondContact O-N 2.88Å
197	A	57.1	Low	55.7	Low	83 Å²	83	126.9 Å²	126.9	69%	0.686	66%	0.663	S	S	*	*	H	α-helix	trans	-66.5	-24.8	176.2	0	0	0	0	0	113.6	K193 K194	K193-A197 WeakPolarHBondContact O-CB 3.37Å; K193-A197 PolarHBondContact O-N 3.45Å; K194-A197 PolarHBondContact O-N 3.39Å
198	Q	53.7	Low	53.3	Low	173 Å²	173	128.4 Å²	128.4	81%	0.808	68%	0.675	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.7	-5.8	175.7	-71.9	-173.1	-41.9	0	0	114.3	K194 A195 L196	K194-Q198 PolarHBondContact O-N 3.38Å; A195-Q198 PolarHBondContact O-N 2.97Å; L196-Q198 VanDerWaalsContact C-N 3.26Å; L196-Q198 PolarHBondContact O-N 2.86Å
199	R	47.8	Very low	51.9	Low	205 Å²	205	126.3 Å²	126.3	77%	0.774	68%	0.675	S	S	*	*			trans	-114	34.1	-173.3	-154	-175.8	165.2	119.9	0.7	113.8	L196 L201	L196-R199 PolarHBondContact O-N 2.88Å; R199-L201 PolarHBondContact O-N 3.36Å
200	N	46.8	Very low	50	Low	155 Å²	155	132.8 Å²	132.8	83%	0.829	69%	0.691	S	S	*	*			trans	-89.2	55.7	170	-153.5	7.5	0	0	0	111.1
201	L	42.9	Very low	48	Very low	134 Å²	134	136.1 Å²	136.1	70%	0.702	70%	0.697	S	S	*	*			trans	-148.3	120.5	175	-147.3	77.4	0	0	0	110	R199	R199-L201 PolarHBondContact O-N 3.36Å
202	N	32.5	Very low	46	Very low	124 Å²	124	142 Å²	142	66%	0.663	71%	0.712	S	S	*	*			trans	65.9	113.1	162.2	-60	-15	0	0	0	120.6
203	H	33.3	Very low	44.2	Very low	165 Å²	165	144.5 Å²	144.5	76%	0.764	72%	0.719	S	S	*	*			trans	71.6	120.9	134.9	-71.7	-61.8	0	0	0	123.8
204	C	28.9	Very low	42.3	Very low	114 Å²	114	140.2 Å²	140.2	77%	0.77	72%	0.718	S	S	*	*				77.4	136.1	124.5	-63.8	0	0	0	0	123.4
205	L	30.6	Very low	40.6	Very low	163 Å²	163	141.2 Å²	141.2	85%	0.853	72%	0.722	S	S	*	*			trans	-76	-179.4	155.6	-52.3	172.4	0	0	0	109.4
206	P	47.3	Very low	39.3	Very low	112 Å²	112	143.9 Å²	143.9	73%	0.727	73%	0.732	S	S	*	*			cis	-140.8	-166.4	8.1	39.5	-17.3	0	0	0	116.2
207	S	25.7	Very low	37.9	Very low	104 Å²	104	145.4 Å²	145.4	73%	0.727	74%	0.737	S	S	*	*			trans	81.3	105	153.3	-55	0	0	0	0	120.8
208	D	29.3	Very low	36.6	Very low	152 Å²	152	149.9 Å²	149.9	81%	0.813	74%	0.743	S	S	*	*				34.7	160.7	93	-127.7	30.1	0	0	0	118.9
209	P	50.3	Low	35.5	Very low	85 Å²	85	146.9 Å²	146.9	55%	0.552	74%	0.741	S	S	*	*			cis	-146.4	171.8	14.1	30.6	-4.7	0	0	0	119.3
210	R	38.4	Very low	34.6	Very low	208 Å²	208	142.2 Å²	142.2	79%	0.785	74%	0.74	S	S	*	*				145.4	124	117.7	-78.3	-162.6	-96.4	-139.7	-5.3	119.2
211	Y	36.1	Very low	33.8	Very low	177 Å²	177	141.6 Å²	141.6	69%	0.694	74%	0.736	S	S	*	*			trans	53	146.7	140.2	-68.9	-105.5	0	0	0	120.7
212	W	34.2	Very low	33	Very low	226 Å²	226	140.5 Å²	140.5	86%	0.856	73%	0.731	S	S	*	*			cis	-129	141.1	15.1	-71.6	74.3	0	0	0	110.6
213	Y	36.4	Very low	32.7	Very low	176 Å²	176	142 Å²	142	69%	0.69	73%	0.733	S	S	*	*				71.8	121.9	72.1	-139.5	-78.5	0	0	0	114.9
214	G	31.6	Very low	32.4	Very low	60 Å²	60	139.5 Å²	139.5	62%	0.619	74%	0.735	S	S	*	*			cis	167.3	-174.7	-6.6	0	0	0	0	0	114.7
215	K	33.4	Very low	32.7	Very low	175 Å²	175	139.5 Å²	139.5	76%	0.761	74%	0.736	S	S	*	*			trans	69.4	147.1	171.1	-72.3	-178.1	178.6	-178.4	0	117.8
216	T	29.6	Very low	33.8	Very low	114 Å²	114	137.4 Å²	137.4	70%	0.699	73%	0.732	S	S	*	*			cis	-143.7	134.5	-4.1	16.3	0	0	0	0	108.3
217	Q	30	Very low	34.3	Very low	149 Å²	149	136.6 Å²	136.6	70%	0.696	73%	0.727	S	S	*	*				53.1	109.1	85.8	-74.6	-78.1	3	0	0	115.4
218	H	29.8	Very low	34.7	Very low	177 Å²	177	140.3 Å²	140.3	82%	0.819	73%	0.733	S	S	*	*				178.5	173.4	102.8	-92.3	-62.9	0	0	0	112.4
219	S	30	Very low	35	Very low	110 Å²	110	137.9 Å²	137.9	77%	0.769	73%	0.734	S	S	*	*			trans	-131.7	160.6	-171.6	-52.9	0	0	0	0	112.6
220	S	29.5	Very low	34.2	Very low	107 Å²	107	138 Å²	138	75%	0.748	74%	0.743	S	S	*	*			trans	88	148.2	140.3	-151.2	0	0	0	0	121.4
221	L	29.8	Very low	34.1	Very low	142 Å²	142	135.3 Å²	135.3	74%	0.743	74%	0.743	S	S	*	*			trans	90.2	133	145.8	-119.2	73.3	0	0	0	122.2
222	D	26	Very low	34	Very low	111 Å²	111	131.5 Å²	131.5	59%	0.594	74%	0.742	S	S	*	*			trans	75.1	115	140.8	-76.5	-14.4	0	0	0	125.9
223	Q	27.5	Very low	34	Very low	154 Å²	154	124.9 Å²	124.9	72%	0.72	74%	0.735	S	S	*	*				64.6	137.8	117.8	-63.2	177.8	57.7	0	0	123.6
224	S	26.4	Very low	33.7	Very low	114 Å²	114	125.5 Å²	125.5	80%	0.797	74%	0.738	S	S	*	*			trans	72.9	124.5	145	55.8	0	0	0	0	122.5
225	S	34.1	Very low	33.7	Very low	114 Å²	114	128 Å²	128	80%	0.797	74%	0.741	S	S	*	*			trans	-67.1	-175.2	154.1	-23.7	0	0	0	0	111.4
226	P	55.1	Low	34	Very low	118 Å²	118	127.6 Å²	127.6	77%	0.766	74%	0.741	S	S	*	*			cis	-136.9	-143.1	15	42.4	-19.1	0	0	0	111.3
227	P	56.8	Low	35	Very low	96 Å²	96	128.1 Å²	128.1	62%	0.623	75%	0.747	S	S	*	*			cis	-136.5	-175.5	-16	41.9	-23.8	0	0	0	116.6
228	Q	34.5	Very low	35.3	Very low	181 Å²	181	126.4 Å²	126.4	85%	0.846	75%	0.746	S	S	*	*			trans	66.1	116.1	155.5	-75.4	166.6	10.8	0	0	118.8
229	A	35.4	Very low	35.7	Very low	101 Å²	101	126 Å²	126	84%	0.835	75%	0.75	S	S	*	*				94.9	147.1	75.8	0	0	0	0	0	111.6
230	A	34.4	Very low	35.9	Very low	89 Å²	89	124.3 Å²	124.3	74%	0.736	75%	0.749	S	S	*	*			cis	-160.1	-179.7	4.5	0	0	0	0	0	108.7
231	L	35.8	Very low	36.3	Very low	151 Å²	151	123.8 Å²	123.8	79%	0.791	75%	0.751	S	S	*	*			cis	-168.3	139.2	-12.1	-131.7	173.1	0	0	0	110
232	S	34.1	Very low	36.3	Very low	97 Å²	97	126.8 Å²	126.8	68%	0.678	76%	0.759	S	S	*	*			trans	64	158.4	155.4	-103.4	0	0	0	0	120.4
233	A	33	Very low	36.6	Very low	86 Å²	86	128.3 Å²	128.3	71%	0.711	77%	0.766	S	S	*	*			cis	-162.2	170.5	7	0	0	0	0	0	109.6
234	Y	31.1	Very low	36.8	Very low	190 Å²	190	126 Å²	126	75%	0.745	77%	0.767	S	S	*	*			cis	-159.2	124.4	-10.1	-121.3	-145.9	0	0	0	108.1
235	T	30.5	Very low	37.1	Very low	111 Å²	111	128.7 Å²	128.7	68%	0.681	77%	0.765	S	S	*	*				85.1	132.1	99.8	61.1	0	0	0	0	119.4
236	H	40.2	Very low	37	Very low	167 Å²	167	129.6 Å²	129.6	77%	0.773	76%	0.761	S	S	*	*			trans	-83.9	-169.4	165.4	-55.1	-99.6	0	0	0	111.9	V238	H236-V238 HydrophobicContact CB-CG2 3.73Å
237	P	51.1	Low	36.1	Very low	125 Å²	125	131 Å²	131	81%	0.812	76%	0.761	S	S	*	*				-141.6	164.2	91.4	37	-22	0	0	0	114.7
238	V	36.8	Very low	35.3	Very low	113 Å²	113	135.1 Å²	135.1	69%	0.685	77%	0.77	S	S	*	*			cis	101.1	146.2	6.3	-177.1	0	0	0	0	116.9	H236	H236-V238 HydrophobicContact CB-CG2 3.73Å
239	L	38.2	Very low	36.3	Very low	170 Å²	170	131.9 Å²	131.9	89%	0.89	77%	0.765	S	S	*	*			trans	106.1	144.1	169.8	-59	177.7	0	0	0	116.9
240	G	33.7	Very low	36.6	Very low	74 Å²	74	134.2 Å²	134.2	76%	0.763	76%	0.763	S	S	*	*			cis	129.8	145	-5.1	0	0	0	0	0	113.4
241	A	37	Very low	36.6	Very low	95 Å²	95	141 Å²	141	79%	0.785	77%	0.769	S	S	*	*			cis	-125.3	-123.6	-2.9	0	0	0	0	0	111.6
242	F	30.8	Very low	36.5	Very low	206 Å²	206	142.6 Å²	142.6	90%	0.904	77%	0.77	S	S	*	*			cis	-145.4	167.5	7.8	-121.9	-82	0	0	0	110.9
243	D	31.5	Very low	36.5	Very low	142 Å²	142	144.2 Å²	144.2	76%	0.759	78%	0.775	S	S	*	*			trans	-144.9	159.6	-171.2	170.6	50	0	0	0	113.3
244	S	31.6	Very low	36.5	Very low	105 Å²	105	145.1 Å²	145.1	73%	0.734	78%	0.783	S	S	*	*			trans	-167.9	103.6	160.4	61	0	0	0	0	115.1
245	K	34.3	Very low	36.4	Very low	171 Å²	171	141.5 Å²	141.5	74%	0.743	79%	0.785	S	S	*	*			trans	38.4	147.9	134.8	-84.4	174.2	149.5	-83.1	0	121.9
246	D	31.5	Very low	37	Very low	133 Å²	133	144 Å²	144	71%	0.711	79%	0.789	S	S	*	*			cis	-151.4	-148.1	38.1	-114.7	-20	0	0	0	114.6
247	D	35.7	Very low	37.4	Very low	147 Å²	147	141.6 Å²	141.6	79%	0.786	79%	0.788	S	S	*	*			trans	-96	174.3	-140.6	-129.6	-40.7	0	0	0	121.5
248	F	39.1	Very low	36.7	Very low	183 Å²	183	141.7 Å²	141.7	80%	0.803	78%	0.782	S	S	*	*			trans	-87.2	161.4	-168.2	-96	-88.5	0	0	0	116.2
249	P	56.9	Low	36.8	Very low	113 Å²	113	143.1 Å²	143.1	73%	0.734	79%	0.785	S	S	*	*				-157.6	150	71.6	40.5	-17.8	0	0	0	121.8
250	L	41.8	Very low	36.9	Very low	151 Å²	151	143 Å²	143	79%	0.791	78%	0.777	S	S	*	*			trans	46.4	116.4	142.9	-60.6	172.7	0	0	0	122.6
251	R	33	Very low	36.8	Very low	232 Å²	232	149.3 Å²	149.3	88%	0.875	78%	0.778	S	S	*	*				176.1	154.9	113.8	-100.1	168.6	-175.6	-176	3.3	116.6
252	K	34.4	Very low	36.6	Very low	184 Å²	184	155.2 Å²	155.2	80%	0.8	78%	0.78	S	S	*	*			trans	66.8	102.7	153.4	-73.5	179.7	176.7	-175.1	0	121
253	T	33.4	Very low	37.2	Very low	130 Å²	130	149.5 Å²	149.5	80%	0.798	77%	0.766	S	S	*	*				11.4	131.9	125.6	54.6	0	0	0	0	120.7
254	A	32.9	Very low	37.7	Very low	106 Å²	106	153.3 Å²	153.3	88%	0.876	77%	0.77	S	S	*	*			trans	67.4	114.8	146.3	0	0	0	0	0	118.9
255	S	30.8	Very low	38	Very low	113 Å²	113	154.2 Å²	154.2	79%	0.79	77%	0.766	S	S	*	*			trans	-138.6	118.2	169.3	44.2	0	0	0	0	111.6
256	E	42.5	Very low	38.3	Very low	164 Å²	164	155 Å²	155	77%	0.766	77%	0.769	S	S	*	*				-74.6	162.6	125.8	-60.2	-167.1	-175.8	0	0	107.6	N258	E256-N258 PolarHBondContact OE2-ND2 3.33Å
257	P	47.5	Very low	38.6	Very low	116 Å²	116	156.4 Å²	156.4	75%	0.753	77%	0.772	S	S	*	*				-145.2	147.5	89.9	37.1	-21.3	0	0	0	115.3
258	N	37.9	Very low	38.8	Very low	128 Å²	128	157.2 Å²	157.2	68%	0.684	77%	0.768	S	S	*	*			trans	-59.4	155.6	153.1	-82.5	-102	0	0	0	111.1	E256	E256-N258 PolarHBondContact OE2-ND2 3.33Å
259	L	37.7	Very low	38.6	Very low	143 Å²	143	154.1 Å²	154.1	75%	0.749	76%	0.764	S	S	*	*			trans	170.8	143.1	134.7	-94.7	161.5	0	0	0	115.7
260	K	40.4	Very low	37.1	Very low	166 Å²	166	154.8 Å²	154.8	72%	0.722	77%	0.766	S	S	*	*			trans	67.4	147.5	149.4	-73.7	158.2	-179.1	159.1	0	118
261	R	31.2	Very low	36.6	Very low	207 Å²	207	155.4 Å²	155.4	78%	0.781	77%	0.765	S	S	*	*			cis	-167.3	161.5	-16.6	-122.9	-177.3	176.7	-167.7	-1.9	105.8
262	R	33.8	Very low	36.6	Very low	219 Å²	219	154.6 Å²	154.6	83%	0.826	76%	0.762	S	S	*	*			cis	-135.6	139.3	23.8	-67	-175.5	-177.9	-157	1.6	109.1
263	S	43.7	Very low	36.6	Very low	86 Å²	86	157.4 Å²	157.4	60%	0.601	77%	0.767	S	S	*	*				72.5	130.3	78.8	-137.6	0	0	0	0	112.2
264	W	40.7	Very low	36.4	Very low	223 Å²	223	157 Å²	157	85%	0.845	77%	0.77	S	S	*	*			cis	-153.5	178.9	13.1	-133.5	10.5	0	0	0	108.5
265	L	37.8	Very low	36.6	Very low	123 Å²	123	157.3 Å²	157.3	64%	0.644	77%	0.766	S	S	*	*			cis	-153.8	-173.3	2.8	178.3	47.8	0	0	0	108.3
266	K	40.9	Very low	37.2	Very low	188 Å²	188	157.1 Å²	157.1	82%	0.817	76%	0.762	S	S	*	*			trans	-147.5	151.7	164.4	-72	-178.6	174.9	-179.1	0	109.9
267	Q	38.6	Very low	36.6	Very low	163 Å²	163	156.4 Å²	156.4	76%	0.762	76%	0.762	S	S	*	*			trans	-162.5	152.5	141.5	-77.3	-147.4	4.2	0	0	108.1
268	K	39.6	Very low	35.8	Very low	163 Å²	163	157.4 Å²	157.4	71%	0.709	76%	0.761	S	S	*	*			cis	-150.6	129.9	-10	-114.1	177.7	180	166.5	0	106.8
269	V	34.7	Very low	35.6	Very low	119 Å²	119	161.1 Å²	161.1	72%	0.721	77%	0.765	S	S	*	*				80.2	98.6	87.8	174.6	0	0	0	0	115.4
270	T	26.7	Very low	35.3	Very low	127 Å²	127	163.5 Å²	163.5	78%	0.779	76%	0.764	S	S	*	*			trans	38.6	130.3	144.9	65	0	0	0	0	123.3
271	E	31.3	Very low	34.8	Very low	163 Å²	163	163.1 Å²	163.1	76%	0.762	76%	0.763	S	S	*	*				-138.8	177.2	123.3	-166.2	141.1	-145.3	0	0	111.9
272	R	31.9	Very low	34.7	Very low	216 Å²	216	159.2 Å²	159.2	82%	0.815	76%	0.757	S	S	*	*			trans	-69.2	155	-150.4	-61.8	144.3	-166.5	-104.9	-2	116.5
273	R	34.9	Very low	34.4	Very low	242 Å²	242	152.1 Å²	152.1	91%	0.913	75%	0.752	S	S	*	*			trans	-74.1	138.9	154.4	-63.9	175.9	172.5	-170.5	-3.2	110.1
274	S	29.3	Very low	34.6	Very low	122 Å²	122	153.4 Å²	153.4	85%	0.853	76%	0.758	S	S	*	*				172.2	142.5	112.2	47.6	0	0	0	0	113.5
275	S	37.1	Very low	34.2	Very low	112 Å²	112	150 Å²	150	78%	0.783	76%	0.755	S	S	*	*			trans	-128.2	141.8	158.3	55.4	0	0	0	0	106.3
276	P	41.9	Very low	33.7	Very low	110 Å²	110	149.6 Å²	149.6	71%	0.714	76%	0.758	S	S	*	*				-156.2	150.1	103	37.4	-18.1	0	0	0	118.2
277	L	31.1	Very low	33.1	Very low	148 Å²	148	146.9 Å²	146.9	78%	0.775	76%	0.757	S	S	*	*			trans	57.6	121	133.9	-60.4	172.1	0	0	0	123.9
278	L	31.5	Very low	32.8	Very low	138 Å²	138	142.8 Å²	142.8	72%	0.723	75%	0.751	S	S	*	*				75.5	138.5	127.1	-72.2	170.9	0	0	0	123.5
279	R	32.3	Very low	32.3	Very low	206 Å²	206	144.5 Å²	144.5	78%	0.777	76%	0.759	S	S	*	*			trans	73	149.9	147.8	-80.8	-179.4	173.2	167.4	-0.6	117.7
280	R	32.1	Very low	32.3	Very low	193 Å²	193	148.3 Å²	148.3	73%	0.728	77%	0.765	S	S	*	*			cis	-173.3	155.9	-19	-150.7	-176.1	-176.4	178.5	-1.2	108.1
281	K	30.5	Very low	32.6	Very low	158 Å²	158	152.1 Å²	152.1	69%	0.687	77%	0.766	S	S	*	*			trans	64.7	159.3	163.3	-77.2	-176.9	142.3	-72.1	0	115.4
282	D	27.8	Very low	32.3	Very low	125 Å²	125	147.8 Å²	147.8	67%	0.668	75%	0.753	S	S	*	*			cis	-145.5	172.7	-10.6	-96.3	-36	0	0	0	108.6
283	G	28.5	Very low	32.3	Very low	69 Å²	69	143.6 Å²	143.6	71%	0.711	75%	0.746	S	S	*	*			trans	-90.8	-149.9	169.2	0	0	0	0	0	113.1
284	P	47.6	Very low	32	Very low	113 Å²	113	137.9 Å²	137.9	73%	0.734	73%	0.734	S	S	*	*			cis	-140.6	-158.3	3.1	40.5	-19.1	0	0	0	114.6
285	I	32.3	Very low	32	Very low	153 Å²	153	139.3 Å²	139.3	79%	0.785	73%	0.73	S	S	*	*			trans	73.8	141.3	164.5	-69.7	161.9	0	0	0	116.2
286	T	27.8	Very low	31.7	Very low	114 Å²	114	137.3 Å²	137.3	70%	0.699	72%	0.721	S	S	*	*			cis	-144.7	-156.5	-40.6	41.8	0	0	0	0	106
287	T	28.5	Very low	30.9	Very low	131 Å²	131	139.2 Å²	139.2	80%	0.804	73%	0.725	S	S	*	*			cis	-167.5	177.6	9	-10.5	0	0	0	0	106.1
288	A	31.1	Very low	30.9	Very low	77 Å²	77	137.8 Å²	137.8	64%	0.636	73%	0.727	S	S	*	*			cis	-163.5	170.9	-3.5	0	0	0	0	0	109.6
289	K	30.6	Very low	30.9	Very low	198 Å²	198	135 Å²	135	86%	0.861	73%	0.725	S	S	*	*			trans	63.6	114.3	162.9	-66.3	175.4	-179.8	177.1	0	117
290	K	33.5	Very low	30.8	Very low	199 Å²	199	130.3 Å²	130.3	87%	0.865	72%	0.722	S	S	*	*				65	132.8	81	-78.7	-170.2	173.8	-176.4	0	113.3
291	R	32.2	Very low	30.8	Very low	208 Å²	208	128.1 Å²	128.1	79%	0.785	73%	0.725	S	S	*	*			cis	-157	179.5	8.1	-105.4	-164.6	110.2	177.5	1.3	107.9
292	S	26.8	Very low	30.9	Very low	72 Å²	72	125.4 Å²	125.4	50%	0.503	73%	0.726	S	S	.	*			cis	165.6	160.1	-41.5	65.6	0	0	0	0	110.2
293	L	30.3	Very low	31.1	Very low	127 Å²	127	124 Å²	124	67%	0.665	73%	0.731	S	S	*	*			trans	73.9	150.4	174.4	-79.8	77.9	0	0	0	115.3
294	D	28.9	Very low	32.3	Very low	122 Å²	122	126.9 Å²	126.9	65%	0.652	74%	0.737	S	S	*	*			cis	-165.3	170.9	-17.3	-114.6	-5.5	0	0	0	111.2
295	I	30.3	Very low	31.6	Very low	152 Å²	152	124.8 Å²	124.8	78%	0.779	74%	0.736	S	S	*	*			trans	43.2	139.4	140.9	-64.7	167.2	0	0	0	120
296	A	29.7	Very low	31.6	Very low	70 Å²	70	123.8 Å²	123.8	58%	0.579	74%	0.743	S	S	*	*			cis	-173.2	177.1	-16.8	0	0	0	0	0	109
297	D	26.6	Very low	31.7	Very low	151 Å²	151	121.7 Å²	121.7	81%	0.807	74%	0.744	S	S	*	*			trans	59.2	124.8	158.8	-61.7	-33.4	0	0	0	119.8
298	S	31.3	Very low	33.5	Very low	117 Å²	117	121.3 Å²	121.3	82%	0.818	74%	0.744	S	S	*	*				78.2	139.2	84.9	-139.8	0	0	0	0	112.9
299	A	29.7	Very low	33.5	Very low	81 Å²	81	123.1 Å²	123.1	67%	0.669	75%	0.751	S	S	*	*			cis	-157	-168.6	15	0	0	0	0	0	114.3
300	C	30.6	Very low	34	Very low	106 Å²	106	119.2 Å²	119.2	72%	0.716	75%	0.749	S	S	*	*			trans	-34.2	175.2	160.1	69.6	0	0	0	0	118.7
301	N	32	Very low	34.6	Very low	148 Å²	148	115.3 Å²	115.3	79%	0.791	74%	0.744	S	S	*	*			cis	-171.9	171.8	-3.5	-118.5	-5.5	0	0	0	111.6
302	S	32.5	Very low	34.6	Very low	101 Å²	101	112.1 Å²	112.1	71%	0.706	74%	0.743	S	S	*	*			trans	63.4	117.1	145.4	-62.3	0	0	0	0	124.7
303	A	33.6	Very low	34.6	Very low	94 Å²	94	116.1 Å²	116.1	78%	0.777	76%	0.758	S	S	*	*				63.9	-178.1	128	0	0	0	0	0	120.4
304	P	51.8	Low	34.8	Very low	131 Å²	131	114.4 Å²	114.4	85%	0.851	76%	0.757	S	S	*	*				-116.5	-173.1	-53.3	31.6	-15.8	0	0	0	112.1
305	G	33.5	Very low	35.1	Very low	69 Å²	69	114 Å²	114	71%	0.711	76%	0.764	S	S	*	*			trans	-108.4	174.5	-173.5	0	0	0	0	0	117.6
306	S	32.3	Very low	35.3	Very low	132 Å²	132	111.2 Å²	111.2	92%	0.923	76%	0.758	S	S	*	*			trans	-166.7	159.5	166.2	-77.1	0	0	0	0	110.2
307	G	30.8	Very low	35.2	Very low	70 Å²	70	115.5 Å²	115.5	72%	0.722	77%	0.771	S	S	*	*			trans	-115.9	-154.3	166.9	0	0	0	0	0	111
308	P	65.8	Low	35.7	Very low	123 Å²	123	116 Å²	116	80%	0.799	77%	0.772	S	S	*	*			cis	-132.5	-164.1	-12.8	41.8	-25.2	0	0	0	112.7
309	S	30.2	Very low	36.5	Very low	114 Å²	114	115.5 Å²	115.5	80%	0.797	77%	0.766	S	S	*	*			trans	118	147.4	158.1	-49.1	0	0	0	0	117.8
310	S	41.3	Very low	36.6	Very low	116 Å²	116	116.3 Å²	116.3	81%	0.811	77%	0.767	S	S	*	*			trans	-88.8	-173.2	176.1	-42	0	0	0	0	110.9
311	P	46.9	Very low	36.7	Very low	118 Å²	118	118.8 Å²	118.8	77%	0.766	77%	0.768	S	S	*	*			cis	-148	-178.2	15.8	46.4	-25.7	0	0	0	118.9
312	N	32	Very low	36.8	Very low	141 Å²	141	118.3 Å²	118.3	75%	0.754	77%	0.765	S	S	*	*			trans	36.6	143.6	143	-149.1	30	0	0	0	123.4
313	N	27.3	Very low	36.6	Very low	155 Å²	155	117 Å²	117	83%	0.829	77%	0.768	S	S	*	*			trans	-153.1	161.5	150.5	-154.2	-1.8	0	0	0	112
314	S	34	Very low	36.5	Very low	92 Å²	92	120.4 Å²	120.4	64%	0.643	77%	0.771	S	S	*	*			trans	-152.7	149.4	-168.3	-52.7	0	0	0	0	114.4
315	S	34.7	Very low	36.1	Very low	113 Å²	113	119 Å²	119	79%	0.79	76%	0.763	S	S	*	*			trans	-173	147.6	167.2	55.8	0	0	0	0	111.6
316	S	36.1	Very low	35.8	Very low	94 Å²	94	123.6 Å²	123.6	66%	0.657	77%	0.769	S	S	*	*			cis	178.2	141	-26.5	47.3	0	0	0	0	108.6
317	N	27.5	Very low	35.6	Very low	159 Å²	159	121.6 Å²	121.6	85%	0.85	76%	0.755	S	S	*	*			trans	167	149.3	137.3	-85.1	-9.6	0	0	0	112.9
318	I	36.9	Very low	35.5	Very low	161 Å²	161	124.4 Å²	124.4	83%	0.826	76%	0.758	S	S	*	*			trans	-140.9	167.9	171.3	-28.8	177.3	0	0	0	106.8
319	P	47.5	Very low	33.9	Very low	107 Å²	107	123.8 Å²	123.8	70%	0.695	76%	0.757	S	S	*	*				-151.2	155.9	93.2	39.6	-22.8	0	0	0	116.8
320	S	32.3	Very low	34.8	Very low	98 Å²	98	124.3 Å²	124.3	69%	0.685	76%	0.758	S	S	*	*			trans	58.1	144.8	149.2	52.2	0	0	0	0	120.2
321	E	32.3	Very low	34.1	Very low	159 Å²	159	122.5 Å²	122.5	74%	0.743	76%	0.757	S	S	*	*			cis	-158.1	166.1	6.9	-136.7	175.7	97.5	0	0	112.6
322	N	34.1	Very low	33.4	Very low	138 Å²	138	126.5 Å²	126.5	74%	0.738	77%	0.765	S	S	*	*			trans	62.8	104	156.7	-61	-36.2	0	0	0	123.1
323	G	28.7	Very low	33.3	Very low	74 Å²	74	124.3 Å²	124.3	76%	0.763	77%	0.767	S	S	*	*				99.4	78.2	106	0	0	0	0	0	122.2
324	I	30.3	Very low	33.8	Very low	164 Å²	164	122.3 Å²	122.3	84%	0.841	77%	0.765	S	S	*	*				18.9	137.1	124.5	-72.7	174.6	0	0	0	118.1
325	P	42.9	Very low	33.7	Very low	103 Å²	103	124.4 Å²	124.4	67%	0.669	77%	0.768	S	S	*	*			cis	-144.8	171.2	39.1	27.1	-1.8	0	0	0	119.6
326	I	28.1	Very low	33.9	Very low	164 Å²	164	126.3 Å²	126.3	84%	0.841	77%	0.768	S	S	*	*			trans	50.3	128.7	138.6	-62.5	164.2	0	0	0	118.3
327	S	27.3	Very low	33.7	Very low	91 Å²	91	129.4 Å²	129.4	64%	0.636	77%	0.772	S	S	*	*				-168.8	164.3	50.4	-155.1	0	0	0	0	116.2
328	T	28.6	Very low	33.9	Very low	129 Å²	129	131.6 Å²	131.6	79%	0.791	77%	0.768	S	S	*	*			trans	29.4	134.1	146.5	49.9	0	0	0	0	124.5
329	S	33.7	Very low	33.4	Very low	110 Å²	110	132.1 Å²	132.1	77%	0.769	77%	0.772	S	S	*	*			trans	-75.4	-170.2	161.5	60.8	0	0	0	0	113.6
330	P	47.3	Very low	32.6	Very low	125 Å²	125	131 Å²	131	81%	0.812	77%	0.772	S	S	*	*			cis	-137.7	-173.7	-2.2	43.5	-25.8	0	0	0	115.8
331	G	27.6	Very low	32.4	Very low	77 Å²	77	133 Å²	133	79%	0.794	78%	0.78	S	S	*	*			trans	141.4	139.2	150.8	0	0	0	0	0	117.6
332	E	32.4	Very low	32.2	Very low	202 Å²	202	136.8 Å²	136.8	94%	0.944	79%	0.788	S	S	*	*			trans	-91.7	152.5	171.8	-56.1	172.9	108.8	0	0	112.4
333	A	29.8	Very low	32.1	Very low	95 Å²	95	137.4 Å²	137.4	79%	0.785	79%	0.791	S	S	*	*				-178.1	152.7	129.7	0	0	0	0	0	111.9
334	S	38.3	Very low	32.1	Very low	113 Å²	113	137.2 Å²	137.2	79%	0.79	79%	0.788	S	S	*	*			trans	-98.7	158.1	171.7	179.2	0	0	0	0	111.2
335	L	31.6	Very low	33.5	Very low	137 Å²	137	135.2 Å²	135.2	72%	0.717	79%	0.786	S	S	*	*			trans	-162.4	143	151.6	-114.7	173.1	0	0	0	113.7
336	I	37.8	Very low	32.7	Very low	152 Å²	152	138.8 Å²	138.8	78%	0.779	80%	0.799	S	S	*	*			trans	-124.1	129.5	161.5	-72	177	0	0	0	107.8
337	Q	32.9	Very low	32.8	Very low	159 Å²	159	135.5 Å²	135.5	74%	0.743	79%	0.79	S	S	*	*			trans	178.6	159.3	152.1	-103.3	172.4	11.1	0	0	108
338	R	32.2	Very low	32.8	Very low	205 Å²	205	139.8 Å²	139.8	77%	0.774	80%	0.8	S	S	*	*			cis	-143.2	168.8	17.7	-129.1	165.1	-65.8	178.9	2.8	108.9
339	L	26.5	Very low	32.9	Very low	172 Å²	172	140.4 Å²	140.4	90%	0.901	80%	0.798	S	S	*	*				-171	171.9	87.9	-89.3	170.3	0	0	0	110.5
340	A	29.3	Very low	32.5	Very low	83 Å²	83	139.7 Å²	139.7	69%	0.686	79%	0.793	S	S	*	*			trans	-141.4	176.9	-169.9	0	0	0	0	0	114.3
341	T	28.6	Very low	31.8	Very low	140 Å²	140	140.9 Å²	140.9	86%	0.859	79%	0.792	S	S	*	*			trans	62.7	114.5	164.8	60.4	0	0	0	0	119.5
342	R	29.1	Very low	31.9	Very low	240 Å²	240	147.5 Å²	147.5	91%	0.906	79%	0.794	S	S	*	*				-168.3	159.5	118.9	-135.8	178.5	174.3	164.9	-1.3	113.5
343	D	30.2	Very low	31.6	Very low	151 Å²	151	143.6 Å²	143.6	81%	0.807	78%	0.784	S	S	*	*			trans	-74.2	164.6	175.5	-40.4	-94.7	0	0	0	113.6
344	G	28.8	Very low	31.5	Very low	69 Å²	69	144.1 Å²	144.1	71%	0.711	78%	0.782	S	S	*	*			trans	-106	-158.3	163.7	0	0	0	0	0	111.8
345	P	60.6	Low	32.1	Very low	123 Å²	123	144.1 Å²	144.1	80%	0.799	78%	0.78	S	S	*	*			cis	-124.6	162	-12.6	40	-27.4	0	0	0	112.9
346	L	25.3	Very low	32.2	Very low	178 Å²	178	142.4 Å²	142.4	93%	0.932	78%	0.779	S	S	*	*			trans	-172.2	156.1	141.3	-109	168.1	0	0	0	112.3
347	S	30.2	Very low	32.1	Very low	94 Å²	94	142.3 Å²	142.3	66%	0.657	78%	0.779	S	S	*	*			trans	-112.6	137	-173.3	57.8	0	0	0	0	112.8
348	Q	28.8	Very low	32.3	Very low	182 Å²	182	141 Å²	141	85%	0.85	78%	0.784	S	S	*	*			trans	177.5	143.7	149.6	-104.3	166.7	44.3	0	0	109.2
349	L	29.5	Very low	32.4	Very low	142 Å²	142	137.2 Å²	137.2	74%	0.743	78%	0.78	S	S	*	*			cis	-133.9	158.7	7.2	-93.3	163.1	0	0	0	112.3
350	S	25.7	Very low	32.8	Very low	94 Å²	94	137.3 Å²	137.3	66%	0.657	78%	0.779	S	S	*	*			trans	1.8	142.8	147	-46.4	0	0	0	0	119
351	L	32.5	Very low	33.1	Very low	151 Å²	151	138.8 Å²	138.8	79%	0.791	78%	0.78	S	S	*	*				-162.5	156.1	63.5	-92.7	172.3	0	0	0	115.2
352	Y	30.8	Very low	33.5	Very low	216 Å²	216	140.4 Å²	140.4	85%	0.847	78%	0.782	S	S	*	*			trans	66.8	149.6	165.3	-91.3	-92.7	0	0	0	119.6
353	T	24.8	Very low	33.5	Very low	119 Å²	119	132.8 Å²	132.8	73%	0.73	78%	0.778	S	S	*	*			trans	-146.3	178.3	-172.8	66.5	0	0	0	0	110.7
354	S	27.8	Very low	33.9	Very low	107 Å²	107	133.7 Å²	133.7	75%	0.748	78%	0.782	S	S	*	*			trans	94.9	144.1	152.1	-59	0	0	0	0	119
355	P	51.9	Low	35.2	Very low	113 Å²	113	136.2 Å²	136.2	73%	0.734	79%	0.786	S	S	*	*			trans	-148.6	-153.1	-137.2	41.7	-17.7	0	0	0	115.1
356	S	33.8	Very low	34.1	Very low	100 Å²	100	134.4 Å²	134.4	70%	0.699	78%	0.781	S	S	*	*			trans	91.2	128.8	145.2	72.5	0	0	0	0	121.3
357	L	34.2	Very low	34.5	Very low	150 Å²	150	132.2 Å²	132.2	79%	0.785	78%	0.781	S	S	*	*			trans	26	141.1	138.1	-56.8	176	0	0	0	121.7
358	P	37.5	Very low	34.3	Very low	131 Å²	131	131 Å²	131	85%	0.851	78%	0.783	S	S	*	*	S	Bend	trans	-88.2	140.1	145.3	33.5	-27.1	0	0	0	111.9
359	N	34.5	Very low	35.6	Very low	127 Å²	127	128.6 Å²	128.6	68%	0.679	78%	0.783	S	S	*	*				175.8	128.9	-59.1	173.6	-2.2	0	0	0	108.3
360	I	35.7	Very low	36	Very low	173 Å²	173	125.8 Å²	125.8	89%	0.887	78%	0.781	S	S	*	*			trans	-147.3	167.7	154.8	16.3	176.1	0	0	0	109.7
361	T	35.6	Very low	36.5	Very low	114 Å²	114	128.9 Å²	128.9	70%	0.699	79%	0.79	S	S	*	*			trans	-133.9	-179.9	-144.6	-31.8	0	0	0	0	113.4
362	L	36.2	Very low	36.5	Very low	175 Å²	175	127.5 Å²	127.5	92%	0.916	79%	0.793	S	S	*	*			trans	90.4	129.7	169.9	-46.7	174.6	0	0	0	115.2
363	G	29.5	Very low	36.5	Very low	79 Å²	79	123.9 Å²	123.9	81%	0.814	79%	0.793	S	S	*	*			cis	-170.5	168.5	-2.2	0	0	0	0	0	113.9
364	L	38.1	Very low	37.1	Very low	170 Å²	170	124.3 Å²	124.3	89%	0.89	80%	0.795	S	S	*	*			trans	-107.4	-175.7	-167.5	-90.1	169.7	0	0	0	114.3
365	P	56.5	Low	37.4	Very low	123 Å²	123	125 Å²	125	80%	0.799	80%	0.8	S	S	*	*			cis	-138.6	-142.6	16.8	43.7	-21.5	0	0	0	115.9
366	A	36.5	Very low	36.4	Very low	84 Å²	84	122.8 Å²	122.8	69%	0.694	80%	0.798	S	S	*	*				-161.2	176.2	-85.4	0	0	0	0	0	113.7
367	S	34.5	Very low	36.3	Very low	133 Å²	133	127.1 Å²	127.1	93%	0.93	81%	0.806	S	S	*	*			trans	72.4	162.4	173	-60.7	0	0	0	0	118.8
368	G	26.2	Very low	36.5	Very low	67 Å²	67	127.3 Å²	127.3	69%	0.691	80%	0.803	S	S	*	*			cis	129.6	163.6	-5.1	0	0	0	0	0	114.1
369	P	56.2	Low	36.3	Very low	132 Å²	132	128.3 Å²	128.3	86%	0.857	80%	0.801	S	S	*	*			cis	-145.7	-175.6	-27.6	43.6	-24.6	0	0	0	117.1
370	A	37.7	Very low	36.1	Very low	84 Å²	84	126.2 Å²	126.2	69%	0.694	81%	0.81	S	S	*	*			trans	92.1	113.6	142.8	0	0	0	0	0	127.3
371	N	35.9	Very low	36.2	Very low	158 Å²	158	126.7 Å²	126.7	85%	0.845	81%	0.808	S	S	*	*				93.4	142	125.5	-72.9	7.8	0	0	0	128.2
372	S	32.5	Very low	35.9	Very low	122 Å²	122	127.3 Å²	127.3	85%	0.853	82%	0.817	S	S	*	*			trans	86	156.5	160.5	82.8	0	0	0	0	118.9
373	V	31.7	Very low	35.7	Very low	141 Å²	141	126.9 Å²	126.9	86%	0.855	81%	0.81	S	S	*	*			cis	-144.7	-146.2	0.6	76.5	0	0	0	0	113.5
374	V	37.2	Very low	35.6	Very low	128 Å²	128	131.9 Å²	131.9	78%	0.776	82%	0.817	S	S	*	*			trans	-143.1	161	-164.6	169.7	0	0	0	0	114.9
375	S	34	Very low	35.3	Very low	122 Å²	122	128.2 Å²	128.2	85%	0.853	81%	0.812	S	S	*	*			trans	107.8	147.6	158.7	72.8	0	0	0	0	118.5
376	G	31.3	Very low	34.2	Very low	66 Å²	66	130.3 Å²	130.3	68%	0.68	82%	0.815	S	S	*	*			cis	142.2	128.4	-16.1	0	0	0	0	0	115.8
377	H	31.5	Very low	34.8	Very low	190 Å²	190	132.6 Å²	132.6	88%	0.88	82%	0.823	S	S	*	*			trans	-170	-179	159.4	-115.9	-78.1	0	0	0	113.8
378	Q	37.6	Very low	34.7	Very low	155 Å²	155	130.6 Å²	130.6	72%	0.724	82%	0.815	S	S	*	*			trans	-142.2	177.4	-155.1	-55.7	176.5	116.9	0	0	116.5
379	D	34	Very low	34.8	Very low	151 Å²	151	136 Å²	136	81%	0.807	83%	0.827	S	S	*	*			trans	88.7	139.6	146.5	-57.2	-42.8	0	0	0	123.5
380	G	30	Very low	33.5	Very low	83 Å²	83	138.2 Å²	138.2	86%	0.856	83%	0.825	S	S	*	*			trans	140.5	102	154	0	0	0	0	0	119
381	E	37.6	Very low	33.8	Very low	184 Å²	184	140.6 Å²	140.6	86%	0.86	83%	0.834	S	S	*	*			trans	-104.3	159.2	170.4	-65	-177.8	105	0	0	113.7
382	S	29	Very low	33.3	Very low	126 Å²	126	136.2 Å²	136.2	88%	0.881	83%	0.826	S	S	*	*			trans	-173.7	160.7	147.7	-86.4	0	0	0	0	114.4
383	H	32.1	Very low	33.2	Very low	167 Å²	167	138.5 Å²	138.5	77%	0.773	83%	0.827	S	S	*	*			trans	-107.8	161.5	-168.4	-58.7	-110	0	0	0	115.3
384	L	27.6	Very low	34.2	Very low	183 Å²	183	137.1 Å²	137.1	96%	0.958	82%	0.821	S	S	*	*				166.7	-175.8	118.2	-85.3	173	0	0	0	112.7
385	A	31.2	Very low	33.8	Very low	94 Å²	94	139 Å²	139	78%	0.777	83%	0.826	S	S	*	*			trans	-133.4	174.9	-158.3	0	0	0	0	0	117.2
386	L	34.2	Very low	33.9	Very low	166 Å²	166	137.5 Å²	137.5	87%	0.869	82%	0.82	S	S	*	*			trans	-13.7	156.8	165.4	-62.1	175.2	0	0	0	119.3
387	P	49.7	Very low	34.6	Very low	132 Å²	132	140.4 Å²	140.4	86%	0.857	83%	0.828	S	S	*	*			cis	-144.7	-152	35.8	43	-20.9	0	0	0	116.3
388	A	31.6	Very low	34.9	Very low	92 Å²	92	134.8 Å²	134.8	76%	0.76	81%	0.814	S	S	*	*			trans	-114.5	163.8	-168.7	0	0	0	0	0	115.3
389	L	28.2	Very low	34.4	Very low	180 Å²	180	137.2 Å²	137.2	94%	0.942	82%	0.822	S	S	*	*			trans	-177.3	167.5	149.8	-104.2	165.4	0	0	0	113.4
390	Q	29.9	Very low	34.3	Very low	178 Å²	178	137.3 Å²	137.3	83%	0.832	82%	0.822	S	S	*	*			trans	-87.5	164.7	171.3	-68	-172.2	-25.1	0	0	112.6
391	P	42.4	Very low	34.8	Very low	135 Å²	135	137.9 Å²	137.9	88%	0.877	81%	0.811	S	S	*	*				-142.6	-166.7	95.3	37.6	-20.8	0	0	0	113.5
392	G	25.9	Very low	34.2	Very low	66 Å²	66	135.1 Å²	135.1	68%	0.68	81%	0.806	S	S	*	*			trans	-174.5	-165.3	177.4	0	0	0	0	0	116.9
393	I	30.1	Very low	34.2	Very low	170 Å²	170	132.9 Å²	132.9	87%	0.872	79%	0.791	S	S	*	*			trans	72	151.7	170.9	-63.6	174.6	0	0	0	114.7
394	P	53.5	Low	33.9	Very low	111 Å²	111	133.5 Å²	133.5	72%	0.721	79%	0.794	S	S	*	*			cis	-115.3	-168.7	-1.6	25.7	-0.9	0	0	0	112.8
395	L	28.9	Very low	34	Very low	169 Å²	169	132.3 Å²	132.3	89%	0.885	79%	0.788	S	S	*	*			cis	-141.6	163	25.1	-80.3	164.9	0	0	0	113.6
396	A	36.6	Very low	34	Very low	89 Å²	89	133.3 Å²	133.3	74%	0.736	79%	0.786	S	S	*	*			trans	-115.8	-167.9	175.1	0	0	0	0	0	110.8
397	P	45.2	Very low	33.6	Very low	128 Å²	128	130.3 Å²	130.3	83%	0.831	78%	0.779	S	S	*	*				-138.6	-165.7	50.1	40.4	-21.2	0	0	0	114
398	A	37	Very low	32.4	Very low	72 Å²	72	135.2 Å²	135.2	60%	0.595	78%	0.782	S	S	*	*				-170.1	142.3	-55.9	0	0	0	0	0	109.2
399	F	27.1	Very low	32.2	Very low	205 Å²	205	138.4 Å²	138.4	90%	0.899	79%	0.786	S	S	*	*				169.2	-178.9	116	-96.6	-73.1	0	0	0	112.9
400	L	32.3	Very low	32	Very low	153 Å²	153	134 Å²	134	80%	0.801	78%	0.775	S	S	*	*			trans	-130.2	-175	-154.7	-77.6	171.6	0	0	0	111
401	P	40.7	Very low	31.7	Very low	95 Å²	95	130.9 Å²	130.9	62%	0.617	77%	0.773	S	S	*	*			cis	-141.5	177.7	-35	32.7	-12.2	0	0	0	116.1
402	T	25.4	Very low	30.9	Very low	126 Å²	126	129.4 Å²	129.4	77%	0.773	77%	0.766	S	S	*	*			trans	64.3	151.1	143.2	47.6	0	0	0	0	121.9
403	S	28	Very low	30.9	Very low	79 Å²	79	130.4 Å²	130.4	55%	0.552	77%	0.767	S	S	*	*			cis	-174.2	169.7	-13.4	50.4	0	0	0	0	115.6
404	H	27.4	Very low	30.7	Very low	181 Å²	181	129.6 Å²	129.6	84%	0.838	76%	0.764	S	S	*	*			trans	83.1	152.7	151.5	-55.8	-45.6	0	0	0	123.5
405	L	29.8	Very low	29.4	Very low	158 Å²	158	130.1 Å²	130.1	83%	0.827	76%	0.761	S	S	*	*			trans	-103.6	160.8	173.3	-99.1	168.8	0	0	0	108.6
406	P	31.3	Very low	29.3	Very low	115 Å²	115	131.3 Å²	131.3	75%	0.747	75%	0.754	S	S	*	*				-155	176.3	72.8	42.3	-21.9	0	0	0	118.1
407	S	25.5	Very low	28.9	Very low	102 Å²	102	133.1 Å²	133.1	71%	0.713	75%	0.751	S	S	*	*			trans	-81.4	160.5	165	-45.1	0	0	0	0	112.5
408	Y	23.7	Very low	27.9	Very low	235 Å²	235	130.6 Å²	130.6	92%	0.922	75%	0.748	S	S	*	*			trans	-148.1	158.8	150.5	-110.3	-78.6	0	0	0	111.9
409	L	26.6	Very low	28	Very low	160 Å²	160	133.6 Å²	133.6	84%	0.838	76%	0.761	S	S	*	*			trans	-114.9	139	-173.3	-80.4	167.7	0	0	0	113
410	A	24.4	Very low	28	Very low	87 Å²	87	127.5 Å²	127.5	72%	0.719	76%	0.757	S	S	*	*			trans	61.1	166.5	136.8	0	0	0	0	0	122.2
411	S	24.2	Very low	27.6	Very low	112 Å²	112	124.5 Å²	124.5	78%	0.783	76%	0.762	S	S	*	*			trans	81.4	147.6	161.9	-50.5	0	0	0	0	118.3
412	S	25.4	Very low	26.9	Very low	104 Å²	104	124 Å²	124	73%	0.727	77%	0.774	S	S	*	*			cis	-168.9	141.9	-19.2	-100	0	0	0	0	112.7
413	A	25.5	Very low	27.1	Very low	87 Å²	87	123.1 Å²	123.1	72%	0.719	78%	0.78	S	S	*	*			trans	54.1	163.9	134.2	0	0	0	0	0	123.9
414	L	26.2	Very low	27.1	Very low	154 Å²	154	124 Å²	124	81%	0.806	79%	0.792	S	S	*	*			trans	71.3	145.3	168.9	-51.8	176.9	0	0	0	115.6
415	D	25.6	Very low	27.1	Very low	122 Å²	122	118.3 Å²	118.3	65%	0.652	78%	0.782	S	S	*	*			cis	-138	143.5	-8.8	-100	-46.4	0	0	0	106.2
416	R	27.8	Very low	27.1	Very low	193 Å²	193	119.6 Å²	119.6	73%	0.728	78%	0.784	S	S	*	*				93.3	149	62.1	-147.4	-162.5	87.3	-164.7	-2.6	113.2
417	D	27	Very low	26.9	Very low	128 Å²	128	121.4 Å²	121.4	68%	0.684	79%	0.787	S	S	*	*			trans	79.7	139.7	176.8	-57.8	-18.2	0	0	0	117.8
418	G	25.4	Very low	27.6	Very low	74 Å²	74	122.2 Å²	122.2	76%	0.763	79%	0.79	S	S	*	*			trans	-111.6	-141.8	179.8	0	0	0	0	0	111.7
419	P	38.1	Very low	27.9	Very low	135 Å²	135	118.7 Å²	118.7	88%	0.877	79%	0.786	S	S	*	*			cis	-133.4	176	2.8	42.5	-27.2	0	0	0	115.4
420	G	27.1	Very low	28	Very low	78 Å²	78	118 Å²	118	80%	0.804	78%	0.782	S	S	*	*			trans	116.9	101.3	140.6	0	0	0	0	0	120.2
421	G	25.4	Very low	28.3	Very low	89 Å²	89	119 Å²	119	92%	0.918	77%	0.772	S	S	*	*			trans	82.7	147.2	131.9	0	0	0	0	0	121.1
422	G	26	Very low	28.5	Very low	84 Å²	84	121 Å²	121	87%	0.866	77%	0.769	S	S	*	*			trans	118.2	106.9	158.4	0	0	0	0	0	115.5
423	A	28.3	Very low	28.5	Very low	109 Å²	109	123.4 Å²	123.4	90%	0.901	77%	0.77	S	S	*	*			trans	-94.1	136.9	-177.3	0	0	0	0	0	114.3
424	A	28.6	Very low	28.8	Very low	98 Å²	98	124.6 Å²	124.6	81%	0.81	77%	0.768	S	S	*	*			trans	-174.8	146.9	149	0	0	0	0	0	106.6
425	G	27.3	Very low	29	Very low	60 Å²	60	124 Å²	124	62%	0.619	77%	0.765	S	S	*	*			cis	153.5	177.6	7.8	0	0	0	0	0	108.4
426	H	30.2	Very low	29	Very low	186 Å²	186	126.5 Å²	126.5	86%	0.861	78%	0.775	S	S	*	*			trans	83.8	89.6	168.6	-50	-65.8	0	0	0	120.1
427	N	27.3	Very low	29	Very low	153 Å²	153	123.9 Å²	123.9	82%	0.818	77%	0.771	S	S	*	*				-51.4	162.3	122.2	-95.7	-16.9	0	0	0	110.9
428	P	40.1	Very low	29	Very low	118 Å²	118	125.7 Å²	125.7	77%	0.766	78%	0.776	S	S	*	*			cis	-150.7	174.4	38.4	45.1	-25.9	0	0	0	119
429	L	29.7	Very low	29	Very low	162 Å²	162	126.5 Å²	126.5	85%	0.848	77%	0.769	S	S	*	*			trans	-67.6	140.4	148.2	-81.2	143.2	0	0	0	111
430	L	29.2	Very low	28.5	Very low	144 Å²	144	129.1 Å²	129.1	75%	0.754	77%	0.77	S	S	*	*				176.9	156.3	129.9	-103	170.3	0	0	0	114.5
431	Q	30.2	Very low	28.4	Very low	108 Å²	108	130.6 Å²	130.6	51%	0.505	77%	0.768	S	S	.	*			trans	62.4	149.4	176.1	-94.6	68.7	55.4	0	0	116.4
432	H	27.4	Very low	28.4	Very low	155 Å²	155	132.7 Å²	132.7	72%	0.718	77%	0.768	S	S	*	*			cis	-136.7	158.2	16.1	-130.1	-75.9	0	0	0	113.8
433	M	25.1	Very low	28.3	Very low	154 Å²	154	137.1 Å²	137.1	76%	0.759	77%	0.768	S	S	*	*			trans	-131.2	174.6	165	-163.3	179.5	81.7	0	0	108.2
434	V	32.6	Very low	28.4	Very low	112 Å²	112	138 Å²	138	68%	0.679	76%	0.763	S	S	*	*			trans	74.6	132.7	167.7	178.8	0	0	0	0	113.7
435	L	31	Very low	28.1	Very low	141 Å²	141	136.9 Å²	136.9	74%	0.738	76%	0.76	S	S	*	*			cis	-155.4	167.2	-1.7	-130.9	170	0	0	0	108.7
436	M	25.3	Very low	28.2	Very low	175 Å²	175	142.6 Å²	142.6	86%	0.862	78%	0.776	S	S	*	*				-178.4	162.7	119.3	-96.1	-63.3	-83.3	0	0	112.3
437	E	27.3	Very low	27.9	Very low	138 Å²	138	137.7 Å²	137.7	65%	0.645	78%	0.776	S	S	*	*			trans	-137.8	166.9	-167.3	-162	-164.6	-129.9	0	0	110.6
438	Q	27.1	Very low	27.8	Very low	167 Å²	167	134.1 Å²	134.1	78%	0.78	77%	0.774	S	S	*	*			trans	72.4	147.5	167	-53.9	-179	27.6	0	0	115.9
439	S	26.6	Very low	27.3	Very low	90 Å²	90	136.4 Å²	136.4	63%	0.629	78%	0.779	S	S	*	*			cis	-160.3	175.9	-13.1	56.4	0	0	0	0	109.1
440	H	25.9	Very low	27.7	Very low	191 Å²	191	134.4 Å²	134.4	88%	0.884	78%	0.776	S	S	*	*			trans	-179.3	158.7	132.5	-93.5	-49.3	0	0	0	112.8
441	S	25	Very low	27.8	Very low	109 Å²	109	134.2 Å²	134.2	76%	0.762	78%	0.775	S	S	*	*			trans	-136	151.3	178.3	57.7	0	0	0	0	110.8
442	S	25.5	Very low	28.3	Very low	133 Å²	133	135 Å²	135	93%	0.93	79%	0.79	S	S	*	*			trans	-172.3	162.3	164.8	-88.4	0	0	0	0	112.8
443	M	25.6	Very low	28.4	Very low	176 Å²	176	132.2 Å²	132.2	87%	0.867	79%	0.787	S	S	*	*			trans	-150.8	160.9	177.9	-166.1	-170.2	-178.8	0	0	110.6
444	V	28.5	Very low	29.2	Very low	129 Å²	129	130.9 Å²	130.9	78%	0.782	79%	0.79	S	S	*	*			trans	91.7	123.6	164.4	-171.4	0	0	0	0	117.4
445	G	23.4	Very low	29	Very low	74 Å²	74	131.7 Å²	131.7	76%	0.763	80%	0.796	S	S	*	*			trans	-171.5	144.7	165.6	0	0	0	0	0	109
446	L	28.6	Very low	29	Very low	180 Å²	180	131.3 Å²	131.3	94%	0.942	80%	0.799	S	S	*	*			trans	-130.9	147.1	-166.8	-117.9	114	0	0	0	113.6
447	G	24.5	Very low	29.3	Very low	83 Å²	83	127.9 Å²	127.9	86%	0.856	79%	0.792	S	S	*	*			trans	133.2	120.7	151.6	0	0	0	0	0	117.2
448	G	25.3	Very low	29.3	Very low	77 Å²	77	130.9 Å²	130.9	79%	0.794	80%	0.803	S	S	*	*			trans	146.9	117.2	164.8	0	0	0	0	0	116.1
449	L	28.6	Very low	29.6	Very low	166 Å²	166	130 Å²	130	87%	0.869	80%	0.803	S	S	*	*			trans	-147.3	162	171.4	-80.9	-179.7	0	0	0	107.7
450	P	38.5	Very low	29.6	Very low	120 Å²	120	132.9 Å²	132.9	78%	0.779	82%	0.817	S	S	*	*			cis	-143	-167.5	29.8	43.2	-22.4	0	0	0	117.8
451	L	32.3	Very low	30	Very low	140 Å²	140	134.8 Å²	134.8	73%	0.733	82%	0.816	S	S	*	*			trans	-63.8	173	174.9	-106.7	79.6	0	0	0	114.9
452	P	39.9	Very low	30.2	Very low	125 Å²	125	132.6 Å²	132.6	81%	0.812	81%	0.81	S	S	*	*			cis	-147.6	-178.9	41.6	42.6	-21	0	0	0	120
453	S	29.3	Very low	30.4	Very low	96 Å²	96	135.2 Å²	135.2	67%	0.671	81%	0.808	S	S	*	*			trans	-76.2	177.5	176.7	-39.2	0	0	0	0	114.5
454	P	42.7	Very low	30.9	Very low	126 Å²	126	136.5 Å²	136.5	82%	0.818	80%	0.803	S	S	*	*				-151.4	170.6	89.5	42.2	-25.2	0	0	0	117.8
455	T	28.5	Very low	32.3	Very low	129 Å²	129	135.7 Å²	135.7	79%	0.791	80%	0.8	S	S	*	*			trans	-85.6	177.9	159.9	42.3	0	0	0	0	110.3
456	V	29.9	Very low	32.5	Very low	134 Å²	134	139.4 Å²	139.4	81%	0.812	80%	0.802	S	S	*	*				-170.1	162.3	61.1	173.9	0	0	0	0	110.3
457	S	31.8	Very low	32.5	Very low	102 Å²	102	133.4 Å²	133.4	71%	0.713	78%	0.783	S	S	*	*			trans	-92.7	167	-169.9	24.3	0	0	0	0	118.9
458	K	28.2	Very low	33.1	Very low	201 Å²	201	139.9 Å²	139.9	87%	0.874	78%	0.782	S	S	*	*			trans	-167.4	144.2	152.1	-86.3	126.9	-174.2	178.3	0	108.5
459	L	32.4	Very low	33.5	Very low	150 Å²	150	141.6 Å²	141.6	79%	0.785	78%	0.777	S	S	*	*			cis	95.4	98.4	-1.2	-146.5	176.9	0	0	0	118.4
460	V	27.5	Very low	33.7	Very low	150 Å²	150	140.9 Å²	140.9	91%	0.909	77%	0.77	S	S	*	*			trans	-141	166.6	159.8	-178.1	0	0	0	0	109.4
461	R	33.7	Very low	33.3	Very low	230 Å²	230	141 Å²	141	87%	0.868	77%	0.773	S	S	*	*			trans	-156.3	149.5	-152.4	-173.7	-163.9	-156.9	-173.7	10	115.5
462	G	30.5	Very low	33.2	Very low	63 Å²	63	138.5 Å²	138.5	65%	0.649	77%	0.773	S	S	*	*			trans	143.7	150.8	157.9	0	0	0	0	0	115
463	H	29.8	Very low	33.1	Very low	189 Å²	189	138.4 Å²	138.4	88%	0.875	77%	0.772	S	S	*	*			cis	-151.7	174.8	-12.5	-104.5	-83.4	0	0	0	110.7
464	R	36.1	Very low	33.1	Very low	203 Å²	203	141.8 Å²	141.8	77%	0.766	78%	0.782	S	S	*	*			trans	-112.1	-169.6	-176.8	-120.1	-165.9	-163.6	-138.5	11.7	110.5	L466	R464-L466 PolarHBondContact NH1-O 3.35Å
465	P	56	Low	32.7	Very low	112 Å²	112	141.7 Å²	141.7	73%	0.727	78%	0.781	S	S	*	*			cis	-134.8	-166	19	44.9	-24.5	0	0	0	113.4
466	L	29.5	Very low	32.9	Very low	151 Å²	151	144.1 Å²	144.1	79%	0.791	78%	0.784	S	S	*	*			cis	-96.1	-145.6	9.1	-65.8	164.8	0	0	0	110.9	R464	R464-L466 PolarHBondContact NH1-O 3.35Å
467	G	28.3	Very low	33.1	Very low	54 Å²	54	146.4 Å²	146.4	56%	0.557	79%	0.785	S	S	*	*			cis	-161.8	171	-20.1	0	0	0	0	0	106.8
468	R	36.5	Very low	33.7	Very low	219 Å²	219	147 Å²	147	83%	0.826	79%	0.787	S	S	*	*			cis	112.2	118.5	-4.8	-89.2	-166.6	167.5	142.4	-0.1	116.9
469	T	34.3	Very low	33.8	Very low	114 Å²	114	142.4 Å²	142.4	70%	0.699	78%	0.778	S	S	*	*			cis	-125.9	142.4	3.5	39.7	0	0	0	0	111.1
470	Q	31.6	Very low	34.1	Very low	151 Å²	151	138.1 Å²	138.1	71%	0.706	77%	0.771	S	S	*	*				65.1	140	60	-63.7	179.5	-30.1	0	0	113.3
471	S	30.4	Very low	34.8	Very low	122 Å²	122	139 Å²	139	85%	0.853	77%	0.765	S	S	*	*			cis	-134	-156.9	-1	59.8	0	0	0	0	109.7
472	A	30.9	Very low	35.1	Very low	87 Å²	87	130.9 Å²	130.9	72%	0.719	75%	0.747	S	S	*	*			cis	-150.7	-172.6	13.4	0	0	0	0	0	111
473	P	37.7	Very low	35.8	Very low	124 Å²	124	134.8 Å²	134.8	81%	0.805	75%	0.748	S	S	*	*			trans	-119.2	171	-150.9	43.5	-35.6	0	0	0	119.1
474	L	28.3	Very low	36.7	Very low	167 Å²	167	128.6 Å²	128.6	87%	0.874	73%	0.73	S	S	*	*			trans	-86.6	149.2	165.6	-78.3	142.5	0	0	0	112.6
475	P	34.6	Very low	37.2	Very low	123 Å²	123	124.5 Å²	124.5	80%	0.799	72%	0.723	S	S	*	*			trans	-90.8	148.8	159.1	35.3	-30.9	0	0	0	112.1
476	Q	32.2	Very low	36.7	Very low	181 Å²	181	126 Å²	126	85%	0.846	72%	0.72	S	S	*	*			trans	-117.1	122.1	169.7	-74.1	-177.4	-37.7	0	0	110.6
477	Q	35.2	Very low	37.5	Very low	182 Å²	182	126 Å²	126	85%	0.85	72%	0.716	S	S	*	*			trans	-161.3	159.4	149.2	-91.1	-35.2	-80.6	0	0	109.6
478	P	43.6	Very low	38.7	Very low	115 Å²	115	128.4 Å²	128.4	75%	0.747	72%	0.716	S	S	*	*			trans	-91.4	143.7	-155.9	34.1	-36.6	0	0	0	114.9
479	C	31.6	Very low	39.8	Very low	103 Å²	103	121.4 Å²	121.4	70%	0.696	70%	0.697	S	S	*	*			trans	-138.2	86.3	165.4	-166.4	0	0	0	0	110.5
480	G	38.7	Very low	41	Very low	60 Å²	60	120.4 Å²	120.4	62%	0.619	69%	0.69	S	S	*	*	S	Bend	trans	-130.3	-30.3	173.7	0	0	0	0	0	113.8
481	Q	40.8	Very low	42.2	Very low	170 Å²	170	119.5 Å²	119.5	79%	0.794	69%	0.686	S	S	*	*	H	α-helix	trans	-86.3	-20.8	-177.5	-71.1	174.3	-32.2	0	0	114.1	L485	Q481-L485 PolarHBondContact O-N 3.45Å
482	A	39.8	Very low	43.6	Very low	59 Å²	59	119 Å²	119	49%	0.488	67%	0.67	S	S	.	*	H	α-helix	trans	-69.2	-43.8	-175.2	0	0	0	0	0	113.4	Q486	A482-Q486 PolarHBondContact O-N 3.38Å; A482-Q486 VanDerWaalsContact O-N 3.15Å
483	Q	47	Very low	44.5	Very low	144 Å²	144	120.8 Å²	120.8	67%	0.673	66%	0.664	S	S	*	*	H	α-helix	trans	-70.5	-38.8	-178.2	-73.1	179.7	-47.9	0	0	112.4	L485 Q486 Q487	Q483-L485 PolarHBondContact O-N 3.42Å; Q483-Q486 PolarHBondContact O-N 2.89Å; Q483-Q487 PolarHBondContact O-N 3.47Å
484	A	48.4	Very low	45.5	Very low	60 Å²	60	120.5 Å²	120.5	50%	0.496	65%	0.652	S	S	.	*	H	α-helix	trans	-60	-46.7	176.4	0	0	0	0	0	111.8	Q486 Q487 L488	A484-Q486 PolarHBondContact O-N 3.37Å; A484-Q487 PolarHBondContact O-N 3.43Å; A484-L488 WeakPolarHBondContact O-CB 3.46Å; A484-L488 PolarHBondContact O-N 3.38Å; A484-L488 VanDerWaalsContact O-N 3.08Å
485	L	45.5	Very low	46.8	Very low	117 Å²	117	118.6 Å²	118.6	61%	0.613	64%	0.638	S	S	*	*	H	α-helix	trans	-62.5	-41.5	175.9	-88.3	163.3	0	0	0	112.5	Q481 Q483 Q487 L488 V489	Q481-L485 PolarHBondContact O-N 3.45Å; Q483-L485 PolarHBondContact O-N 3.42Å; L485-Q487 VanDerWaalsContact C-N 3.34Å; L485-Q487 PolarHBondContact O-N 3.14Å; L485-L488 PolarHBondContact O-N 3Å; L485-V489 WeakPolarHBondContact O-CG2 3.47Å; L485-V489 PolarHBondContact O-N 2.95Å
486	Q	46.2	Very low	47.5	Very low	143 Å²	143	118.3 Å²	118.3	67%	0.668	63%	0.626	S	S	*	*	H	α-helix	trans	-65.6	-37.6	-179.9	-167.2	163.8	37.8	0	0	112.3	A482 Q483 A484 V490	A482-Q486 PolarHBondContact O-N 3.38Å; A482-Q486 VanDerWaalsContact O-N 3.15Å; Q483-Q486 PolarHBondContact O-N 2.89Å; A484-Q486 PolarHBondContact O-N 3.37Å; Q486-V490 WeakPolarHBondContact O-CG2 3.25Å; Q486-V490 PolarHBondContact O-N 2.83Å
487	Q	47.1	Very low	48.7	Very low	151 Å²	151	116.1 Å²	116.1	71%	0.706	61%	0.614	S	S	*	*	H	α-helix	trans	-70.4	-37.3	176.8	-163.1	163.8	11.7	0	0	112.2	Q483 A484 L485 V490 Q491	Q483-Q487 PolarHBondContact O-N 3.47Å; A484-Q487 PolarHBondContact O-N 3.43Å; L485-Q487 VanDerWaalsContact C-N 3.34Å; L485-Q487 PolarHBondContact O-N 3.14Å; Q487-V490 PolarHBondContact O-N 3.05Å; Q487-Q491 PolarHBondContact O-N 3.31Å
488	L	52	Low	49.3	Very low	105 Å²	105	112 Å²	112	55%	0.55	60%	0.597	S	S	.	*	H	α-helix	trans	-69.4	-37	178.3	-144.6	157.7	0	0	0	112	A484 L485 Q491 Q492	A484-L488 WeakPolarHBondContact O-CB 3.46Å; A484-L488 PolarHBondContact O-N 3.38Å; A484-L488 VanDerWaalsContact O-N 3.08Å; L485-L488 PolarHBondContact O-N 3Å; L488-Q491 PolarHBondContact O-N 3.29Å; L488-Q492 WeakPolarHBondContact O-CB 3.5Å; L488-Q492 PolarHBondContact O-N 3.38Å
489	V	59.3	Low	50	Low	71 Å²	71	112.4 Å²	112.4	43%	0.43	59%	0.589	S	S	.	*	H	α-helix	trans	-63.6	-42.3	172.4	169.7	0	0	0	0	111.8	L485 Q492 Q493	L485-V489 WeakPolarHBondContact O-CG2 3.47Å; L485-V489 PolarHBondContact O-N 2.95Å; V489-Q492 PolarHBondContact O-N 3.15Å; V489-Q493 WeakPolarHBondContact O-CG 3.46Å; V489-Q493 PolarHBondContact O-N 3.01Å
490	V	60.3	Low	50.6	Low	93 Å²	93	114.5 Å²	114.5	56%	0.564	59%	0.586	S	S	*	*	H	α-helix	trans	-63.5	-41.5	176	170.4	0	0	0	0	111.3	Q486 Q487 Q493 H494	Q486-V490 WeakPolarHBondContact O-CG2 3.25Å; Q486-V490 PolarHBondContact O-N 2.83Å; Q487-V490 PolarHBondContact O-N 3.05Å; V490-Q493 PolarHBondContact O-N 3.4Å; V490-H494 PolarHBondContact O-N 3.44Å
491	Q	56.6	Low	51	Low	132 Å²	132	117 Å²	117	62%	0.617	58%	0.582	S	S	*	*	H	α-helix	trans	-65.1	-42.8	177.4	-165.6	169.5	24.5	0	0	112	Q487 L488 H494 Q495	Q487-Q491 PolarHBondContact O-N 3.31Å; L488-Q491 PolarHBondContact O-N 3.29Å; Q491-H494 PolarHBondContact O-N 2.91Å; Q491-Q495 PolarHBondContact O-N 2.95Å; Q491-Q495 VanDerWaalsContact O-N 3.11Å
492	Q	60.8	Low	51.6	Low	113 Å²	113	116.4 Å²	116.4	53%	0.528	58%	0.576	S	S	.	*	H	α-helix	trans	-64.8	-41.2	176.8	-173.5	175.1	89.8	0	0	112.5	L488 V489 Q495 Q496	L488-Q492 WeakPolarHBondContact O-CB 3.5Å; L488-Q492 PolarHBondContact O-N 3.38Å; V489-Q492 PolarHBondContact O-N 3.15Å; Q492-Q495 PolarHBondContact O-N 3.09Å; Q492-Q496 PolarHBondContact O-N 3.2Å
493	Q	49.8	Very low	51.8	Low	124 Å²	124	120 Å²	120	58%	0.579	58%	0.583	S	S	*	*	H	α-helix	trans	-64.2	-38.7	175.4	-75.4	-177.6	-3.2	0	0	112.4	V489 V490 Q495 F497	V489-Q493 WeakPolarHBondContact O-CG 3.46Å; V489-Q493 PolarHBondContact O-N 3.01Å; V490-Q493 PolarHBondContact O-N 3.4Å; Q493-Q495 VanDerWaalsContact C-N 3.34Å; Q493-Q495 PolarHBondContact O-N 2.92Å; Q493-F497 WeakPolarHBondContact O-CB 3.31Å; Q493-F497 PolarHBondContact O-N 3.24Å
494	H	57.4	Low	51.6	Low	118 Å²	118	117.8 Å²	117.8	55%	0.546	58%	0.575	S	S	.	*	H	α-helix	trans	-63.2	-40.8	175.2	-172.3	66.9	0	0	0	111.9	V490 Q491 F497 L498	V490-H494 PolarHBondContact O-N 3.44Å; Q491-H494 PolarHBondContact O-N 2.91Å; H494-F497 WeakPolarHBondContact O-CB 3.46Å; H494-F497 PolarHBondContact O-N 3.06Å; H494-L498 WeakPolarHBondContact O-CG 3.28Å; H494-L498 PolarHBondContact O-N 2.84Å
495	Q	55.9	Low	51.3	Low	127 Å²	127	122.1 Å²	122.1	59%	0.593	58%	0.584	S	S	*	*	H	α-helix	trans	-69.5	-41.3	-180	-160.2	154.1	13.8	0	0	112.4	Q491 Q492 Q493 F497 L498 E499	Q491-Q495 PolarHBondContact O-N 2.95Å; Q491-Q495 VanDerWaalsContact O-N 3.11Å; Q492-Q495 PolarHBondContact O-N 3.09Å; Q493-Q495 VanDerWaalsContact C-N 3.34Å; Q493-Q495 PolarHBondContact O-N 2.92Å; Q495-F497 VanDerWaalsContact C-N 3.31Å; Q495-F497 PolarHBondContact O-N 2.9Å; Q495-L498 PolarHBondContact O-N 2.97Å; Q495-E499 PolarHBondContact O-N 3.04Å; Q495-E499 VanDerWaalsContact O-N 3.09Å
496	Q	48.9	Very low	51.3	Low	116 Å²	116	124 Å²	124	54%	0.542	59%	0.589	S	S	.	*	H	α-helix	trans	-64	-33.7	173.1	-72.1	-179.2	-9	0	0	113	Q492 K500	Q492-Q496 PolarHBondContact O-N 3.2Å; Q496-K500 WeakPolarHBondContact O-CB 3.14Å; Q496-K500 PolarHBondContact O-N 3.49Å; Q496-K500 VanDerWaalsContact O-N 3.08Å
497	F	58.1	Low	51.2	Low	136 Å²	136	125.6 Å²	125.6	60%	0.596	60%	0.597	S	S	*	*	H	α-helix	trans	-63	-43.5	173.4	179.2	-95.6	0	0	0	111.7	Q493 H494 Q495 K500 H501	Q493-F497 WeakPolarHBondContact O-CB 3.31Å; Q493-F497 PolarHBondContact O-N 3.24Å; H494-F497 WeakPolarHBondContact O-CB 3.46Å; H494-F497 PolarHBondContact O-N 3.06Å; Q495-F497 VanDerWaalsContact C-N 3.31Å; Q495-F497 PolarHBondContact O-N 2.9Å; F497-K500 PolarHBondContact O-N 3.29Å; F497-H501 WeakPolarHBondContact O-CB 3.35Å; F497-H501 PolarHBondContact O-N 2.9Å
498	L	48	Very low	51	Low	94 Å²	94	125.7 Å²	125.7	49%	0.492	60%	0.597	S	S	.	*	H	α-helix	trans	-65.1	-44	178.2	-68.6	169.3	0	0	0	112.5	H494 Q495 H501 K502	H494-L498 WeakPolarHBondContact O-CG 3.28Å; H494-L498 PolarHBondContact O-N 2.84Å; Q495-L498 PolarHBondContact O-N 2.97Å; L498-H501 PolarHBondContact O-N 3.13Å; L498-K502 PolarHBondContact O-N 3.26Å
499	E	58.4	Low	50.3	Low	125 Å²	125	128.2 Å²	128.2	58%	0.584	61%	0.606	S	S	*	*	H	α-helix	trans	-64.2	-42.3	176.8	-70.4	-166.7	118.4	0	0	112.5	Q495 H501 K502 Q503	Q495-E499 PolarHBondContact O-N 3.04Å; Q495-E499 VanDerWaalsContact O-N 3.09Å; E499-H501 VanDerWaalsContact C-N 3.27Å; E499-H501 PolarHBondContact O-N 3.19Å; E499-K502 WeakPolarHBondContact O-CB 3.42Å; E499-K502 PolarHBondContact O-N 3.39Å; E499-K502 VanDerWaalsContact O-N 3.13Å; E499-Q503 PolarHBondContact O-N 2.93Å
500	K	44.3	Very low	49.1	Very low	146 Å²	146	130.2 Å²	130.2	64%	0.635	62%	0.62	S	S	*	*	H	α-helix	trans	-62.5	-36.2	176.7	-166.9	171.2	-173.6	175.3	0	111.9	Q496 F497 L504	Q496-K500 WeakPolarHBondContact O-CB 3.14Å; Q496-K500 PolarHBondContact O-N 3.49Å; Q496-K500 VanDerWaalsContact O-N 3.08Å; F497-K500 PolarHBondContact O-N 3.29Å; K500-L504 PolarHBondContact O-N 2.91Å
501	H	47.1	Very low	48.5	Very low	112 Å²	112	130.9 Å²	130.9	52%	0.519	63%	0.627	S	S	.	*	H	α-helix	trans	-71.8	-31.4	175.4	-151.6	-54.3	0	0	0	112.8	F497 L498 E499 F505	F497-H501 WeakPolarHBondContact O-CB 3.35Å; F497-H501 PolarHBondContact O-N 2.9Å; L498-H501 PolarHBondContact O-N 3.13Å; E499-H501 VanDerWaalsContact C-N 3.27Å; E499-H501 PolarHBondContact O-N 3.19Å; H501-F505 PolarHBondContact O-N 3.45Å
502	K	51.7	Low	47.3	Very low	158 Å²	158	132.8 Å²	132.8	69%	0.687	64%	0.635	S	S	*	*	H	α-helix	trans	-67.5	-43.7	173.5	-172.7	179.4	179.1	-178	0	111.8	L498 E499 F505 Q506	L498-K502 PolarHBondContact O-N 3.26Å; E499-K502 WeakPolarHBondContact O-CB 3.42Å; E499-K502 PolarHBondContact O-N 3.39Å; E499-K502 VanDerWaalsContact O-N 3.13Å; K502-F505 PolarHBondContact O-N 3.2Å; K502-Q506 PolarHBondContact O-N 2.7Å
503	Q	44.9	Very low	46.1	Very low	135 Å²	135	134.5 Å²	134.5	63%	0.631	65%	0.646	S	S	*	*	H	α-helix	trans	-64.7	-41.3	176.9	-70.7	-179.4	-3.8	0	0	112.5	E499 F505 Q506	E499-Q503 PolarHBondContact O-N 2.93Å; Q503-F505 VanDerWaalsContact C-N 3.32Å; Q503-F505 PolarHBondContact O-N 3.49Å; Q503-Q506 PolarHBondContact O-N 3.33Å
504	L	43.8	Very low	45.4	Very low	97 Å²	97	136 Å²	136	51%	0.508	66%	0.657	S	S	.	*	H	α-helix	trans	-61.6	-37.6	176.4	-83.2	164	0	0	0	113	K500 Q506	K500-L504 PolarHBondContact O-N 2.91Å; L504-Q506 VanDerWaalsContact C-N 3.3Å; L504-Q506 PolarHBondContact O-N 3.01Å
505	F	42.1	Very low	44.2	Very low	152 Å²	152	138.5 Å²	138.5	67%	0.667	67%	0.674	S	S	*	*	H	α-helix	trans	-70.4	-27	177.9	-158.7	-101.8	0	0	0	112.7	H501 K502 Q503 Q507	H501-F505 PolarHBondContact O-N 3.45Å; K502-F505 PolarHBondContact O-N 3.2Å; Q503-F505 VanDerWaalsContact C-N 3.32Å; Q503-F505 PolarHBondContact O-N 3.49Å; F505-Q507 VanDerWaalsContact C-N 3.35Å; F505-Q507 PolarHBondContact O-N 2.75Å
506	Q	44.5	Very low	42.9	Very low	157 Å²	157	141.2 Å²	141.2	73%	0.734	68%	0.684	S	S	*	*	H	α-helix	trans	-81.8	-8.4	-176	-156.1	164.3	25	0	0	114.1	K502 Q503 L504	K502-Q506 PolarHBondContact O-N 2.7Å; Q503-Q506 PolarHBondContact O-N 3.33Å; L504-Q506 VanDerWaalsContact C-N 3.3Å; L504-Q506 PolarHBondContact O-N 3.01Å
507	Q	43.3	Very low	42.1	Very low	176 Å²	176	143.1 Å²	143.1	82%	0.822	70%	0.696	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.3	-5.1	176.8	-73	-169.1	-7.7	0	0	115	F505	F505-Q507 VanDerWaalsContact C-N 3.35Å; F505-Q507 PolarHBondContact O-N 2.75Å
508	Q	43.9	Very low	40.8	Very low	153 Å²	153	143.8 Å²	143.8	72%	0.715	70%	0.703	S	S	*	*	S	Bend	trans	-110.2	23.1	-168.9	-63.2	-167	-0.4	0	0	115.5
509	Q	36.2	Very low	40	Very low	158 Å²	158	144.1 Å²	144.1	74%	0.738	71%	0.713	S	S	*	*			trans	-125.1	101.2	177.6	-76.3	-76.9	-20.1	0	0	110.7
510	P	35.9	Very low	38.7	Very low	112 Å²	112	147.3 Å²	147.3	73%	0.727	73%	0.725	S	S	*	*			trans	-75.7	142.9	170.1	31.7	-32.9	0	0	0	110.6
511	P	46.6	Very low	38.1	Very low	108 Å²	108	146.6 Å²	146.6	70%	0.701	74%	0.736	S	S	*	*			trans	-79	143.1	176.6	32.6	-34.1	0	0	0	111.3
512	H	32.3	Very low	37.1	Very low	171 Å²	171	144.7 Å²	144.7	79%	0.792	75%	0.746	S	S	*	*				174.6	148	128.6	-94.9	-60	0	0	0	113.3
513	I	35.9	Very low	36	Very low	149 Å²	149	144.7 Å²	144.7	76%	0.764	75%	0.754	S	S	*	*			trans	60.1	88.9	155.9	-56.6	157.2	0	0	0	116.5
514	I	35.2	Very low	36.3	Very low	156 Å²	156	143.7 Å²	143.7	80%	0.8	76%	0.759	S	S	*	*				-163.1	102.6	107.9	-90.1	151.4	0	0	0	106.9
515	N	30.8	Very low	35.5	Very low	170 Å²	170	144.9 Å²	144.9	91%	0.909	77%	0.77	S	S	*	*			trans	-174.6	78.2	163.2	-109.3	-28.2	0	0	0	110.5
516	K	30.1	Very low	34.9	Very low	185 Å²	185	143 Å²	143	80%	0.804	78%	0.775	S	S	*	*			trans	-163.7	85.2	171.9	-156.1	173	-172.9	179.3	0	106.1
517	I	31.1	Very low	34.1	Very low	155 Å²	155	140.2 Å²	140.2	80%	0.795	78%	0.78	S	S	*	*				-152.8	119.7	88	-78.5	140.6	0	0	0	105.8
518	M	30.3	Very low	33.4	Very low	151 Å²	151	136.1 Å²	136.1	74%	0.744	78%	0.775	S	S	*	*				64.9	135	72.4	-68.9	-173.2	74.7	0	0	113.6
519	S	30.8	Very low	32.7	Very low	100 Å²	100	133.8 Å²	133.8	70%	0.699	78%	0.776	S	S	*	*			cis	-160.1	171.9	1.4	-125.3	0	0	0	0	114.2
520	K	31.2	Very low	32.3	Very low	193 Å²	193	131.9 Å²	131.9	84%	0.839	78%	0.78	S	S	*	*			trans	-65.6	159.2	165.2	-53.8	175.5	179.5	-178.4	0	112
521	P	33.1	Very low	31.8	Very low	131 Å²	131	130.3 Å²	130.3	85%	0.851	79%	0.785	S	S	*	*			trans	-78	160.4	154	34.9	-33.8	0	0	0	111.9
522	G	26.1	Very low	31	Very low	72 Å²	72	129.4 Å²	129.4	74%	0.742	79%	0.786	S	S	*	*			trans	172.5	125.5	174.1	0	0	0	0	0	110.5
523	D	28.3	Very low	30.7	Very low	158 Å²	158	126.9 Å²	126.9	85%	0.845	79%	0.788	S	S	*	*			trans	-79.2	173.8	-172.5	-58	-72.1	0	0	0	113.7
524	P	52	Low	30.3	Very low	114 Å²	114	125.5 Å²	125.5	74%	0.74	79%	0.786	S	S	*	*				-130.6	-143.2	-50.9	36.6	-20.6	0	0	0	111
525	V	27.1	Very low	30	Very low	122 Å²	122	126 Å²	126	74%	0.739	79%	0.789	S	S	*	*			trans	96.8	101.4	162.8	-170.7	0	0	0	0	118.6
526	S	28.4	Very low	29.7	Very low	111 Å²	111	120.9 Å²	120.9	78%	0.776	78%	0.777	S	S	*	*			trans	66.5	112.1	137.7	-59	0	0	0	0	124.5
527	A	28.6	Very low	29.6	Very low	100 Å²	100	122.7 Å²	122.7	83%	0.826	78%	0.779	S	S	*	*				91.4	146.5	117.4	0	0	0	0	0	123.2
528	A	28.5	Very low	29.4	Very low	89 Å²	89	120.6 Å²	120.6	74%	0.736	77%	0.766	S	S	*	*			trans	78.6	91.1	151.3	0	0	0	0	0	121.6
529	S	27.6	Very low	29.2	Very low	105 Å²	105	119.8 Å²	119.8	73%	0.734	76%	0.76	S	S	*	*				68.7	115.2	120	65.9	0	0	0	0	123.6
530	S	28.1	Very low	29	Very low	117 Å²	117	123.4 Å²	123.4	82%	0.818	77%	0.766	S	S	*	*				79.4	121.2	123	66.5	0	0	0	0	123.1
531	G	26.1	Very low	28.8	Very low	80 Å²	80	119.6 Å²	119.6	83%	0.825	76%	0.763	S	S	*	*			trans	95.9	154.4	144.3	0	0	0	0	0	117.6
532	A	28.6	Very low	28.7	Very low	89 Å²	89	121.9 Å²	121.9	74%	0.736	76%	0.762	S	S	*	*			cis	-179.4	134.9	-35.8	0	0	0	0	0	109.3
533	S	26.1	Very low	29.8	Very low	118 Å²	118	123 Å²	123	83%	0.825	76%	0.757	S	S	*	*			trans	66.9	164.6	162.8	86.4	0	0	0	0	116.3
534	V	28	Very low	29.9	Very low	119 Å²	119	124.2 Å²	124.2	72%	0.721	76%	0.757	S	S	*	*			cis	-159.6	161.2	-4.4	98.1	0	0	0	0	111.2
535	L	28.3	Very low	28.7	Very low	166 Å²	166	127.2 Å²	127.2	87%	0.869	76%	0.762	S	S	*	*			trans	14.7	151.3	159.6	-58.5	156.4	0	0	0	122.1
536	G	25.6	Very low	28.9	Very low	64 Å²	64	127.3 Å²	127.3	66%	0.66	76%	0.763	S	S	*	*			cis	154	-175	1.5	0	0	0	0	0	112.9
537	R	28	Very low	29	Very low	223 Å²	223	130.9 Å²	130.9	84%	0.842	77%	0.767	S	S	*	*			trans	74.4	150.9	168.5	-90.6	-179.8	178.9	-133.8	11.1	118.4
538	Q	26.6	Very low	28.9	Very low	111 Å²	111	134.7 Å²	134.7	52%	0.519	77%	0.768	S	S	.	*			cis	-167.8	168.2	-6.8	-147.7	168.9	-16.8	0	0	114.4
539	H	26.5	Very low	29.2	Very low	134 Å²	134	138.5 Å²	138.5	62%	0.62	77%	0.77	S	S	*	*			trans	73.8	135.9	164.3	-58.8	123.1	0	0	0	118.2
540	Q	26.2	Very low	29.3	Very low	176 Å²	176	140.6 Å²	140.6	82%	0.822	77%	0.772	S	S	*	*				79.2	138.4	51.3	-77.1	-177.3	-16.7	0	0	114
541	S	27.2	Very low	29.4	Very low	112 Å²	112	144.9 Å²	144.9	78%	0.783	77%	0.771	S	S	*	*			cis	-161.4	176.7	0.8	50.1	0	0	0	0	113.3
542	H	30.1	Very low	29.5	Very low	179 Å²	179	149.6 Å²	149.6	83%	0.829	77%	0.771	S	S	*	*			trans	-83.8	170.5	175.1	-94.1	-87.8	0	0	0	114.7
543	P	50.3	Low	29.6	Very low	97 Å²	97	151.6 Å²	151.6	63%	0.63	77%	0.765	S	S	*	*				-133.7	148.9	112.5	38.7	-27.5	0	0	0	113.7
544	E	29.7	Very low	29.7	Very low	183 Å²	183	154.6 Å²	154.6	86%	0.855	77%	0.766	S	S	*	*				74.6	148.8	98.1	-55.7	177.8	122.2	0	0	115
545	E	28.2	Very low	29.6	Very low	177 Å²	177	151.9 Å²	151.9	83%	0.827	76%	0.762	S	S	*	*			cis	-137.1	157.6	20	-59.5	171.9	119.8	0	0	114.5
546	T	30.5	Very low	29.7	Very low	124 Å²	124	152.2 Å²	152.2	76%	0.761	76%	0.764	S	S	*	*			trans	21.9	162.5	148.1	57.9	0	0	0	0	125.1
547	E	30.1	Very low	29.7	Very low	186 Å²	186	155.4 Å²	155.4	87%	0.869	77%	0.771	S	S	*	*			cis	178.3	-168.8	-38.9	-119.3	-175.6	166.8	0	0	110.2
548	E	27.8	Very low	29.7	Very low	180 Å²	180	149.6 Å²	149.6	84%	0.841	77%	0.765	S	S	*	*			trans	87.3	92.1	172.2	-151.2	169.2	-136.5	0	0	116.3
549	E	33.4	Very low	29.7	Very low	168 Å²	168	149 Å²	149	79%	0.785	77%	0.772	S	S	*	*				77.8	142	85.9	-111.7	-168.7	-164.1	0	0	114.4
550	L	29.5	Very low	29.9	Very low	149 Å²	149	147.7 Å²	147.7	78%	0.78	78%	0.779	S	S	*	*			cis	-145.4	-176	35.4	-98.1	166.1	0	0	0	114.6
551	R	30.1	Very low	30.1	Very low	208 Å²	208	144.8 Å²	144.8	79%	0.785	78%	0.777	S	S	*	*			trans	-99.9	166.4	-175.5	-53.3	175.1	176.4	-174	0	114.8
552	E	29.1	Very low	30.3	Very low	178 Å²	178	144.5 Å²	144.5	83%	0.832	78%	0.776	S	S	*	*				-178.1	130.1	114.7	-96.6	177.2	172	0	0	111.6
553	H	30.2	Very low	30.2	Very low	132 Å²	132	140.5 Å²	140.5	61%	0.611	77%	0.768	S	S	*	*				51.1	138.7	96.6	-74.6	-93.4	0	0	0	115.4
554	Q	27.8	Very low	29.3	Very low	180 Å²	180	141.1 Å²	141.1	84%	0.841	78%	0.775	S	S	*	*			cis	174.9	148.2	-13	-129.5	177.3	-7.3	0	0	106
555	G	26.9	Very low	29.2	Very low	63 Å²	63	139.2 Å²	139.2	65%	0.649	78%	0.776	S	S	*	*			trans	152.6	117.1	175.4	0	0	0	0	0	110.9
556	L	30.1	Very low	29.2	Very low	173 Å²	173	135.6 Å²	135.6	91%	0.906	77%	0.77	S	S	*	*				62.4	125.2	61.3	-54.9	178.7	0	0	0	111.3
557	T	25.7	Very low	29.2	Very low	130 Å²	130	135 Å²	135	80%	0.798	77%	0.771	S	S	*	*			cis	-141.3	-178.8	28.3	52.7	0	0	0	0	115.5
558	S	27.6	Very low	28.9	Very low	102 Å²	102	129.6 Å²	129.6	71%	0.713	76%	0.764	S	S	*	*			trans	-54.7	176.1	171.1	59.2	0	0	0	0	115.4
559	S	27.5	Very low	29.9	Very low	97 Å²	97	126.6 Å²	126.6	68%	0.678	76%	0.761	S	S	*	*			cis	-163.4	157.3	31	-26.5	0	0	0	0	116.1
560	S	29.6	Very low	29.8	Very low	108 Å²	108	126.4 Å²	126.4	76%	0.755	76%	0.76	S	S	*	*			trans	-7.5	159.6	141.3	54.7	0	0	0	0	119.9
561	S	31.5	Very low	29.8	Very low	114 Å²	114	125.8 Å²	125.8	80%	0.797	76%	0.762	S	S	*	*			cis	-169	173.7	4.5	38.1	0	0	0	0	107.2
562	S	30.6	Very low	29.8	Very low	107 Å²	107	119.5 Å²	119.5	75%	0.748	76%	0.762	S	S	*	*			cis	-178.9	-177.4	49.3	63.2	0	0	0	0	107.3
563	S	29.2	Very low	29.9	Very low	95 Å²	95	119.4 Å²	119.4	66%	0.664	77%	0.766	S	S	*	*			cis	-169.6	133.3	-5.3	27.2	0	0	0	0	105.3
564	S	31.2	Very low	29.9	Very low	110 Å²	110	121.3 Å²	121.3	77%	0.769	78%	0.779	S	S	*	*			cis	101.8	101.4	32.8	72.1	0	0	0	0	114.6
565	T	27.4	Very low	30.2	Very low	143 Å²	143	124.2 Å²	124.2	88%	0.877	78%	0.783	S	S	*	*			trans	-161.5	146	157.2	27.6	0	0	0	0	107.6
566	S	27.8	Very low	30.7	Very low	101 Å²	101	124.7 Å²	124.7	71%	0.706	79%	0.787	S	S	*	*			cis	-160.3	151.8	-6.8	46.9	0	0	0	0	112
567	S	30	Very low	30.7	Very low	112 Å²	112	124.2 Å²	124.2	78%	0.783	79%	0.785	S	S	*	*			trans	55.2	122.5	153.5	57	0	0	0	0	122.4
568	G	24.7	Very low	31.4	Very low	71 Å²	71	124.9 Å²	124.9	73%	0.732	79%	0.789	S	S	*	*			trans	-99.9	-148.2	144.9	0	0	0	0	0	110.7
569	P	48.1	Very low	31.6	Very low	117 Å²	117	126.9 Å²	126.9	76%	0.76	79%	0.79	S	S	*	*			cis	-143.9	-166.7	3.8	43.4	-23.3	0	0	0	116.1
570	E	31.2	Very low	32.1	Very low	165 Å²	165	131.4 Å²	131.4	77%	0.771	80%	0.797	S	S	*	*			trans	91.5	130.8	143.1	-91.1	-173.1	-172.2	0	0	125.8
571	T	30.1	Very low	32.3	Very low	135 Å²	135	135.1 Å²	135.1	83%	0.828	80%	0.803	S	S	*	*			trans	70.9	138.2	146.7	59.5	0	0	0	0	123.6
572	G	28.7	Very low	32.5	Very low	76 Å²	76	138.2 Å²	138.2	78%	0.784	81%	0.805	S	S	*	*			trans	131.8	97	135.9	0	0	0	0	0	118.3
573	L	32.9	Very low	33.1	Very low	176 Å²	176	138.6 Å²	138.6	92%	0.921	80%	0.804	S	S	*	*			trans	-46.8	143	168.5	-74.1	111.7	0	0	0	115.2
574	I	29.8	Very low	33.9	Very low	172 Å²	172	139 Å²	139	88%	0.882	81%	0.805	S	S	*	*				-157.6	152.9	128	-88.4	-125.2	0	0	0	110.2
575	R	32.6	Very low	34.9	Very low	241 Å²	241	139.8 Å²	139.8	91%	0.909	80%	0.801	S	S	*	*			trans	-100.9	123.5	-176.3	175.6	-169.6	-176.5	-168.5	3.5	111.7
576	G	38.7	Very low	36.2	Very low	73 Å²	73	139.3 Å²	139.3	75%	0.753	79%	0.792	S	S	*	*			trans	84.6	96.9	151.4	0	0	0	0	0	117.1
577	L	29.6	Very low	37.2	Very low	163 Å²	163	141.3 Å²	141.3	85%	0.853	79%	0.79	S	S	*	*			trans	-139.6	137.4	156.5	-116.7	168.1	0	0	0	108.5	I579	L577-I579 PolarHBondContact O-N 2.79Å
578	V	39.9	Very low	38	Very low	144 Å²	144	141.9 Å²	141.9	87%	0.873	78%	0.78	S	S	*	*			trans	-81	101.5	177.7	177.1	0	0	0	0	108.3
579	I	33	Very low	39.2	Very low	144 Å²	144	143.7 Å²	143.7	74%	0.738	77%	0.77	S	S	*	*			trans	-99.2	123.1	165.5	-61.3	-179.7	0	0	0	107.7	L577 Q581	L577-I579 PolarHBondContact O-N 2.79Å; I579-Q581 PolarHBondContact O-N 3.08Å
580	K	38	Very low	39.3	Very low	193 Å²	193	143.9 Å²	143.9	84%	0.839	76%	0.76	S	S	*	*			trans	-67.5	106	173.4	178.5	-171.3	178.5	-167.2	0	108
581	Q	33	Very low	40.4	Very low	186 Å²	186	142.7 Å²	142.7	87%	0.869	76%	0.755	S	S	*	*	P	Polyproline II helix	trans	-65.6	137.5	174.8	-76	-176.9	-29.3	0	0	110.5	I579	I579-Q581 PolarHBondContact O-N 3.08Å
582	E	36.5	Very low	41.3	Very low	179 Å²	179	144.3 Å²	144.3	84%	0.836	75%	0.746	S	S	*	*	P	Polyproline II helix	trans	-75.5	160.4	167.8	-74.9	174.9	120.2	0	0	110.3
583	P	41.9	Very low	42.4	Very low	114 Å²	114	145.6 Å²	145.6	74%	0.74	73%	0.732	S	S	*	*	P	Polyproline II helix	trans	-60.3	153.1	170.9	27.8	-35.9	0	0	0	111.1
584	P	45.9	Very low	43.4	Very low	104 Å²	104	141.5 Å²	141.5	68%	0.675	71%	0.707	S	S	*	*	P	Polyproline II helix	trans	-64.7	149	176.7	29.2	-35.5	0	0	0	111.5	L586	P584-L586 PolarHBondContact O-N 3.18Å
585	D	52.2	Low	44.7	Very low	127 Å²	127	141.3 Å²	141.3	68%	0.679	70%	0.696	S	S	*	*	P	Polyproline II helix	trans	-65.8	126.9	-179.5	-122.6	-39.2	0	0	0	111.3	Q587 E588	D585-Q587 PolarHBondContact O-N 3.3Å; D585-E588 PolarHBondContact O-N 2.78Å
586	L	54.5	Low	46	Very low	133 Å²	133	133.7 Å²	133.7	70%	0.696	67%	0.673	S	S	*	*	H	α-helix	trans	-62.6	-28.9	-173.2	-69.4	168.5	0	0	0	112.3	P584 E588 Q589 E590	P584-L586 PolarHBondContact O-N 3.18Å; L586-E588 PolarHBondContact O-N 2.84Å; L586-Q589 PolarHBondContact O-N 3.11Å; L586-E590 PolarHBondContact O-N 3.03Å
587	Q	48.8	Very low	46.8	Very low	142 Å²	142	135.9 Å²	135.9	66%	0.664	66%	0.664	S	S	*	*	H	α-helix	trans	-63.2	-40.5	179.8	-72.3	-171.1	-51.7	0	0	113.4	D585 Q589 E590 E591	D585-Q587 PolarHBondContact O-N 3.3Å; Q587-Q589 PolarHBondContact O-N 3.42Å; Q587-E590 PolarHBondContact O-N 2.91Å; Q587-E591 WeakPolarHBondContact O-CG 3.38Å; Q587-E591 PolarHBondContact O-N 3.33Å
588	E	47.9	Very low	48.2	Very low	125 Å²	125	135.2 Å²	135.2	58%	0.584	65%	0.65	S	S	*	*	H	α-helix	trans	-66.3	-28.3	178.7	-80.1	-150.5	174.2	0	0	112.5	D585 L586 R592	D585-E588 PolarHBondContact O-N 2.78Å; L586-E588 PolarHBondContact O-N 2.84Å; E588-R592 VanDerWaalsContact O-CG 3.32Å; E588-R592 WeakPolarHBondContact O-CG 3.24Å; E588-R592 PolarHBondContact O-N 2.87Å; E588-R592 IonicContact OE2-NH2 3.01Å
589	Q	48.7	Very low	48.9	Very low	108 Å²	108	134 Å²	134	51%	0.505	64%	0.635	S	S	.	*	H	α-helix	trans	-80.2	-42.7	178.3	-169.8	166.7	-28.3	0	0	111.4	L586 Q587 E591 R592 E593	L586-Q589 PolarHBondContact O-N 3.11Å; Q587-Q589 PolarHBondContact O-N 3.42Å; Q589-E591 PolarHBondContact O-N 3.11Å; Q589-R592 PolarHBondContact O-N 2.82Å; Q589-E593 PolarHBondContact NE2-OE1 2.96Å; Q589-E593 VanDerWaalsContact NE2-OE1 3.15Å; Q589-E593 PolarHBondContact O-N 3.48Å
590	E	51.7	Low	50	Low	121 Å²	121	133.6 Å²	133.6	57%	0.565	62%	0.624	S	S	*	*	H	α-helix	trans	-59.9	-42.3	172.3	-71.9	-172.3	157.1	0	0	112.2	L586 Q587 R592 E593 Q594	L586-E590 PolarHBondContact O-N 3.03Å; Q587-E590 PolarHBondContact O-N 2.91Å; E590-R592 VanDerWaalsContact C-N 3.32Å; E590-R592 PolarHBondContact O-N 2.84Å; E590-E593 PolarHBondContact O-N 2.9Å; E590-Q594 WeakPolarHBondContact O-CB 3.47Å; E590-Q594 VanDerWaalsContact O-CG 3.28Å; E590-Q594 WeakPolarHBondContact O-CG 3.36Å; E590-Q594 PolarHBondContact O-N 2.95Å
591	E	53.4	Low	50.6	Low	141 Å²	141	130.6 Å²	130.6	66%	0.659	61%	0.613	S	S	*	*	H	α-helix	trans	-63.4	-36.4	177.4	-77.7	-154.2	154.2	0	0	113	Q587 Q589 R595	Q587-E591 WeakPolarHBondContact O-CG 3.38Å; Q587-E591 PolarHBondContact O-N 3.33Å; Q589-E591 PolarHBondContact O-N 3.11Å; E591-R595 PolarHBondContact O-N 2.82Å
592	R	49.8	Very low	51.7	Low	169 Å²	169	124.6 Å²	124.6	64%	0.638	60%	0.595	S	S	*	*	H	α-helix	trans	-67.7	-50.3	175	-73.6	178.2	-163.7	-159.6	9.2	110.9	E588 Q589 E590 Q594 R595 D596	E588-R592 VanDerWaalsContact O-CG 3.32Å; E588-R592 WeakPolarHBondContact O-CG 3.24Å; E588-R592 PolarHBondContact O-N 2.87Å; E588-R592 IonicContact OE2-NH2 3.01Å; Q589-R592 PolarHBondContact O-N 2.82Å; E590-R592 VanDerWaalsContact C-N 3.32Å; E590-R592 PolarHBondContact O-N 2.84Å; R592-Q594 VanDerWaalsContact C-N 3.27Å; R592-Q594 PolarHBondContact O-N 2.86Å; R592-R595 PolarHBondContact O-N 2.89Å; R592-D596 WeakPolarHBondContact O-CB 3.29Å; R592-D596 PolarHBondContact O-N 2.89Å
593	E	51.6	Low	52.6	Low	103 Å²	103	122.7 Å²	122.7	48%	0.481	59%	0.586	S	S	.	*	H	α-helix	trans	-61.6	-35.6	179.5	-69.8	-177.8	-157	0	0	111.8	Q589 E590 Q597	Q589-E593 PolarHBondContact NE2-OE1 2.96Å; Q589-E593 VanDerWaalsContact NE2-OE1 3.15Å; Q589-E593 PolarHBondContact O-N 3.48Å; E590-E593 PolarHBondContact O-N 2.9Å; E593-Q597 WeakPolarHBondContact O-CB 3.27Å; E593-Q597 WeakPolarHBondContact O-CG 3.28Å; E593-Q597 PolarHBondContact O-N 2.78Å
594	Q	54.9	Low	53.1	Low	89 Å²	89	124 Å²	124	42%	0.416	58%	0.583	S	S	.	*	H	α-helix	trans	-68.8	-32.8	171.9	-74.7	-176.2	33.4	0	0	114.3	E590 R592 R598	E590-Q594 WeakPolarHBondContact O-CB 3.47Å; E590-Q594 VanDerWaalsContact O-CG 3.28Å; E590-Q594 WeakPolarHBondContact O-CG 3.36Å; E590-Q594 PolarHBondContact O-N 2.95Å; R592-Q594 VanDerWaalsContact C-N 3.27Å; R592-Q594 PolarHBondContact O-N 2.86Å; Q594-R598 WeakPolarHBondContact O-CB 3.49Å; Q594-R598 VanDerWaalsContact O-CG 3.3Å; Q594-R598 WeakPolarHBondContact O-CG 3.32Å; Q594-R598 PolarHBondContact O-N 2.86Å; Q594-R598 VanDerWaalsContact O-N 3.1Å; Q594-R598 PolarHBondContact O-NE 3.38Å; Q594-R598 VanDerWaalsContact O-NE 3.12Å
595	R	56.8	Low	53.3	Low	169 Å²	169	122.6 Å²	122.6	64%	0.638	57%	0.569	S	S	*	*	H	α-helix	trans	-69.7	-46.7	174	-175.8	-178.3	-67.8	-154.7	0.8	110.1	E591 R592 Q597 R598 E599	E591-R595 PolarHBondContact O-N 2.82Å; R592-R595 PolarHBondContact O-N 2.89Å; R595-Q597 VanDerWaalsContact C-N 3.31Å; R595-Q597 PolarHBondContact O-N 2.96Å; R595-R598 WeakPolarHBondContact O-CB 3.24Å; R595-R598 PolarHBondContact O-N 2.81Å; R595-E599 PolarHBondContact O-N 3.21Å
596	D	58.2	Low	53.4	Low	81 Å²	81	122.9 Å²	122.9	43%	0.433	56%	0.564	S	S	.	*	H	α-helix	trans	-57.4	-40.9	176.1	-115.2	59.7	0	0	0	112.4	R592 R600	R592-D596 WeakPolarHBondContact O-CB 3.29Å; R592-D596 PolarHBondContact O-N 2.89Å; D596-R600 WeakPolarHBondContact O-CG 3.44Å; D596-R600 VanDerWaalsContact O-CZ 3.31Å; D596-R600 PolarHBondContact O-N 2.95Å; D596-R600 PolarHBondContact O-NE 3.08Å; D596-R600 IonicContact OD2-CZ 2.61Å; D596-R600 IonicContact OD2-NH1 2.72Å; D596-R600 PolarHBondContact OD2-NH1 3.3Å; D596-R600 IonicContact OD2-NH2 2.65Å
597	Q	56.1	Low	53.1	Low	119 Å²	119	122 Å²	122	56%	0.556	56%	0.558	S	S	*	*	H	α-helix	trans	-65.4	-45	171.6	-77.3	-177.2	9.8	0	0	112.2	E593 R595 E599 R600 Q601	E593-Q597 WeakPolarHBondContact O-CB 3.27Å; E593-Q597 WeakPolarHBondContact O-CG 3.28Å; E593-Q597 PolarHBondContact O-N 2.78Å; R595-Q597 VanDerWaalsContact C-N 3.31Å; R595-Q597 PolarHBondContact O-N 2.96Å; Q597-E599 VanDerWaalsContact C-N 3.35Å; Q597-E599 PolarHBondContact O-N 2.88Å; Q597-R600 PolarHBondContact O-N 3.4Å; Q597-Q601 VanDerWaalsContact O-CB 3.27Å; Q597-Q601 WeakPolarHBondContact O-CB 3.48Å; Q597-Q601 PolarHBondContact O-N 3.3Å
598	R	59.7	Low	53.3	Low	149 Å²	149	121.8 Å²	121.8	56%	0.562	56%	0.555	S	S	*	*	H	α-helix	trans	-62.2	-38.5	179.3	-80.4	177.7	-105.5	-178.2	-11.2	112.8	Q594 R595 A602	Q594-R598 WeakPolarHBondContact O-CB 3.49Å; Q594-R598 VanDerWaalsContact O-CG 3.3Å; Q594-R598 WeakPolarHBondContact O-CG 3.32Å; Q594-R598 PolarHBondContact O-N 2.86Å; Q594-R598 VanDerWaalsContact O-N 3.1Å; Q594-R598 PolarHBondContact O-NE 3.38Å; Q594-R598 VanDerWaalsContact O-NE 3.12Å; R595-R598 WeakPolarHBondContact O-CB 3.24Å; R595-R598 PolarHBondContact O-N 2.81Å; R598-A602 WeakPolarHBondContact O-CB 3.43Å; R598-A602 PolarHBondContact O-N 2.89Å
599	E	54.1	Low	53.6	Low	119 Å²	119	121.1 Å²	121.1	56%	0.556	55%	0.55	S	S	*	*	H	α-helix	trans	-68.8	-47.8	176.4	-71.6	-179.8	-170.9	0	0	111.4	R595 Q597 Q601 A602 E603	R595-E599 PolarHBondContact O-N 3.21Å; Q597-E599 VanDerWaalsContact C-N 3.35Å; Q597-E599 PolarHBondContact O-N 2.88Å; E599-Q601 VanDerWaalsContact C-N 3.29Å; E599-Q601 PolarHBondContact O-N 3.18Å; E599-A602 PolarHBondContact O-N 2.81Å; E599-A602 VanDerWaalsContact O-N 3.13Å; E599-E603 PolarHBondContact O-N 2.77Å
600	R	56.1	Low	53.9	Low	135 Å²	135	120.6 Å²	120.6	51%	0.509	55%	0.548	S	S	.	.	H	α-helix	trans	-58.6	-38.8	173.8	-74.2	-173.1	-73.4	-89	6.5	113	D596 Q597 E603 Q604	D596-R600 WeakPolarHBondContact O-CG 3.44Å; D596-R600 VanDerWaalsContact O-CZ 3.31Å; D596-R600 PolarHBondContact O-N 2.95Å; D596-R600 PolarHBondContact O-NE 3.08Å; D596-R600 IonicContact OD2-CZ 2.61Å; D596-R600 IonicContact OD2-NH1 2.72Å; D596-R600 PolarHBondContact OD2-NH1 3.3Å; D596-R600 IonicContact OD2-NH2 2.65Å; Q597-R600 PolarHBondContact O-N 3.4Å; R600-E603 PolarHBondContact O-N 3.49Å; R600-Q604 WeakPolarHBondContact O-CB 3.42Å; R600-Q604 PolarHBondContact O-N 2.98Å
601	Q	51.8	Low	54.1	Low	130 Å²	130	120.5 Å²	120.5	61%	0.607	55%	0.548	S	S	*	.	H	α-helix	trans	-68.3	-38.6	177.4	-165.1	169.3	15.5	0	0	111.3	Q597 E599 Q604 D605	Q597-Q601 VanDerWaalsContact O-CB 3.27Å; Q597-Q601 WeakPolarHBondContact O-CB 3.48Å; Q597-Q601 PolarHBondContact O-N 3.3Å; E599-Q601 VanDerWaalsContact C-N 3.29Å; E599-Q601 PolarHBondContact O-N 3.18Å; Q601-Q604 PolarHBondContact O-N 3.23Å; Q601-D605 VanDerWaalsContact O-CB 3.23Å; Q601-D605 WeakPolarHBondContact O-CB 3.28Å; Q601-D605 PolarHBondContact O-N 3.41Å
602	A	56	Low	54.1	Low	60 Å²	60	116.2 Å²	116.2	50%	0.496	54%	0.536	S	S	.	.	H	α-helix	trans	-65.1	-38.5	175.3	0	0	0	0	0	113.1	R598 E599 D605 F606	R598-A602 WeakPolarHBondContact O-CB 3.43Å; R598-A602 PolarHBondContact O-N 2.89Å; E599-A602 PolarHBondContact O-N 2.81Å; E599-A602 VanDerWaalsContact O-N 3.13Å; A602-D605 PolarHBondContact O-N 3.19Å; A602-F606 WeakPolarHBondContact O-CB 3.4Å; A602-F606 PolarHBondContact O-N 3.24Å
603	E	54	Low	54.5	Low	139 Å²	139	113.6 Å²	113.6	65%	0.65	53%	0.533	S	S	*	.	H	α-helix	trans	-65.4	-44.2	173.5	-69.2	-169.9	142.9	0	0	112.1	E599 R600 D605 F606 M607	E599-E603 PolarHBondContact O-N 2.77Å; R600-E603 PolarHBondContact O-N 3.49Å; E603-D605 VanDerWaalsContact C-N 3.31Å; E603-D605 PolarHBondContact O-N 2.58Å; E603-F606 WeakPolarHBondContact O-CB 3.47Å; E603-F606 PolarHBondContact O-N 2.79Å; E603-M607 PolarHBondContact O-N 2.8Å
604	Q	53.1	Low	54.9	Low	142 Å²	142	113.5 Å²	113.5	66%	0.664	54%	0.535	S	S	*	.	H	α-helix	trans	-61.8	-41.3	176.4	-167.3	171.2	47.2	0	0	111.3	R600 Q601 F606 M607 F608	R600-Q604 WeakPolarHBondContact O-CB 3.42Å; R600-Q604 PolarHBondContact O-N 2.98Å; Q601-Q604 PolarHBondContact O-N 3.23Å; Q604-F606 VanDerWaalsContact C-N 3.35Å; Q604-F606 PolarHBondContact O-N 3.34Å; Q604-M607 PolarHBondContact O-N 2.93Å; Q604-F608 PolarHBondContact O-N 2.95Å
605	D	50.8	Low	55.2	Low	73 Å²	73	114.1 Å²	114.1	39%	0.39	54%	0.54	S	S	.	.	H	α-helix	trans	-67.4	-33	177.1	-155.2	30	0	0	0	112	Q601 A602 E603 K609	Q601-D605 VanDerWaalsContact O-CB 3.23Å; Q601-D605 WeakPolarHBondContact O-CB 3.28Å; Q601-D605 PolarHBondContact O-N 3.41Å; A602-D605 PolarHBondContact O-N 3.19Å; E603-D605 VanDerWaalsContact C-N 3.31Å; E603-D605 PolarHBondContact O-N 2.58Å; D605-K609 VanDerWaalsContact CG-CE 3.45Å; D605-K609 WeakPolarHBondContact O-CB 3.26Å; D605-K609 WeakPolarHBondContact O-CD 3.35Å; D605-K609 WeakPolarHBondContact O-CE 3.45Å; D605-K609 WeakPolarHBondContact O-CG 3.41Å; D605-K609 PolarHBondContact O-N 2.6Å; D605-K609 VanDerWaalsContact O-N 3.08Å; D605-K609 IonicContact OD1-NZ 2.65Å; D605-K609 WeakPolarHBondContact OD2-CE 3.25Å; D605-K609 IonicContact OD2-NZ 3.59Å; D605-K609 PolarHBondContact OD2-NZ 2.91Å
606	F	54	Low	55.2	Low	133 Å²	133	109.9 Å²	109.9	58%	0.583	53%	0.528	S	S	*	.	H	α-helix	trans	-66.9	-45.2	171.6	-179	-98.7	0	0	0	112.2	A602 E603 Q604 F608 K609 Q610	A602-F606 WeakPolarHBondContact O-CB 3.4Å; A602-F606 PolarHBondContact O-N 3.24Å; E603-F606 WeakPolarHBondContact O-CB 3.47Å; E603-F606 PolarHBondContact O-N 2.79Å; Q604-F606 VanDerWaalsContact C-N 3.35Å; Q604-F606 PolarHBondContact O-N 3.34Å; F606-F608 VanDerWaalsContact C-N 3.35Å; F606-F608 PolarHBondContact O-N 2.93Å; F606-K609 PolarHBondContact O-N 3.48Å; F606-Q610 PolarHBondContact O-N 2.94Å
607	M	47.9	Very low	55.3	Low	115 Å²	115	111.9 Å²	111.9	57%	0.567	54%	0.535	S	S	*	.	H	α-helix	trans	-61.5	-41.9	175.2	-72.2	-63.8	-70.6	0	0	111.9	E603 Q604 K609 Q610 Q611	E603-M607 PolarHBondContact O-N 2.8Å; Q604-M607 PolarHBondContact O-N 2.93Å; M607-K609 PolarHBondContact O-N 2.95Å; M607-Q610 WeakPolarHBondContact O-CB 3.41Å; M607-Q610 PolarHBondContact O-N 2.8Å; M607-Q611 PolarHBondContact O-N 2.98Å
608	F	53.3	Low	55.5	Low	137 Å²	137	111.3 Å²	111.3	60%	0.601	53%	0.532	S	S	*	.	H	α-helix	trans	-65.5	-39.5	178	-142.8	-88.8	0	0	0	112.2	Q604 F606 Q610 Q611 A612	Q604-F608 PolarHBondContact O-N 2.95Å; F606-F608 VanDerWaalsContact C-N 3.35Å; F606-F608 PolarHBondContact O-N 2.93Å; F608-Q610 VanDerWaalsContact C-N 3.35Å; F608-Q610 PolarHBondContact O-N 3.32Å; F608-Q611 PolarHBondContact O-N 3.44Å; F608-A612 WeakPolarHBondContact O-CB 3.32Å; F608-A612 PolarHBondContact O-N 3.13Å
609	K	54	Low	55.7	Low	111 Å²	111	111 Å²	111	48%	0.483	53%	0.531	S	S	.	.	H	α-helix	trans	-63	-39	173	-70.5	158.4	-160.3	163.6	0	112	D605 F606 M607 M613	D605-K609 VanDerWaalsContact CG-CE 3.45Å; D605-K609 WeakPolarHBondContact O-CB 3.26Å; D605-K609 WeakPolarHBondContact O-CD 3.35Å; D605-K609 WeakPolarHBondContact O-CE 3.45Å; D605-K609 WeakPolarHBondContact O-CG 3.41Å; D605-K609 PolarHBondContact O-N 2.6Å; D605-K609 VanDerWaalsContact O-N 3.08Å; D605-K609 IonicContact OD1-NZ 2.65Å; D605-K609 WeakPolarHBondContact OD2-CE 3.25Å; D605-K609 IonicContact OD2-NZ 3.59Å; D605-K609 PolarHBondContact OD2-NZ 2.91Å; F606-K609 PolarHBondContact O-N 3.48Å; M607-K609 PolarHBondContact O-N 2.95Å; K609-M613 PolarHBondContact O-N 3.47Å; K609-M613 VanDerWaalsContact O-N 3.12Å
610	Q	55.2	Low	56.3	Low	97 Å²	97	108.6 Å²	108.6	45%	0.453	52%	0.521	S	S	.	.	H	α-helix	trans	-64.6	-45.1	175.3	-166.1	-176.3	110.8	0	0	111.5	F606 M607 F608 M613 L614	F606-Q610 PolarHBondContact O-N 2.94Å; M607-Q610 WeakPolarHBondContact O-CB 3.41Å; M607-Q610 PolarHBondContact O-N 2.8Å; F608-Q610 VanDerWaalsContact C-N 3.35Å; F608-Q610 PolarHBondContact O-N 3.32Å; Q610-M613 PolarHBondContact O-N 3.11Å; Q610-L614 PolarHBondContact O-N 3.24Å
611	Q	54.9	Low	56.6	Low	119 Å²	119	108.6 Å²	108.6	56%	0.556	53%	0.527	S	S	*	.	H	α-helix	trans	-65	-41.3	178.3	-167.5	173.4	15.3	0	0	112.3	M607 F608 M613 L614 L615	M607-Q611 PolarHBondContact O-N 2.98Å; F608-Q611 PolarHBondContact O-N 3.44Å; Q611-M613 PolarHBondContact O-N 3.48Å; Q611-L614 WeakPolarHBondContact O-CB 3.28Å; Q611-L614 PolarHBondContact O-N 2.88Å; Q611-L615 HydrophobicContact CG-CD1 4.44Å; Q611-L615 PolarHBondContact O-N 3.03Å
612	A	54.9	Low	57.2	Low	51 Å²	51	108.5 Å²	108.5	42%	0.421	53%	0.526	S	S	.	.	H	α-helix	trans	-61.7	-40	175.5	0	0	0	0	0	112.6	F608 L614 L615 E616	F608-A612 WeakPolarHBondContact O-CB 3.32Å; F608-A612 PolarHBondContact O-N 3.13Å; A612-L614 VanDerWaalsContact C-N 3.31Å; A612-L614 PolarHBondContact O-N 2.93Å; A612-L615 PolarHBondContact O-N 3.02Å; A612-E616 PolarHBondContact O-N 2.86Å
613	M	56.6	Low	57.4	Low	114 Å²	114	110.5 Å²	110.5	56%	0.562	53%	0.528	S	S	*	.	H	α-helix	trans	-63.7	-37	175.2	-170.3	-123.9	-65.1	0	0	112.2	K609 Q610 Q611 Q617	K609-M613 PolarHBondContact O-N 3.47Å; K609-M613 VanDerWaalsContact O-N 3.12Å; Q610-M613 PolarHBondContact O-N 3.11Å; Q611-M613 PolarHBondContact O-N 3.48Å; M613-Q617 WeakPolarHBondContact O-CG 3.38Å; M613-Q617 PolarHBondContact O-N 3.39Å
614	L	60.5	Low	57.9	Low	102 Å²	102	112.4 Å²	112.4	53%	0.534	53%	0.529	S	S	.	.	H	α-helix	trans	-69.6	-40.6	178.4	-140.6	167.5	0	0	0	111.5	Q610 Q611 A612 Q617 Q618	Q610-L614 PolarHBondContact O-N 3.24Å; Q611-L614 WeakPolarHBondContact O-CB 3.28Å; Q611-L614 PolarHBondContact O-N 2.88Å; A612-L614 VanDerWaalsContact C-N 3.31Å; A612-L614 PolarHBondContact O-N 2.93Å; L614-Q617 PolarHBondContact O-N 2.87Å; L614-Q618 PolarHBondContact O-N 2.8Å; L614-Q618 VanDerWaalsContact O-N 3.07Å
615	L	60.3	Low	58.2	Low	101 Å²	101	108.7 Å²	108.7	53%	0.529	52%	0.519	S	S	.	.	H	α-helix	trans	-65.6	-43.3	174.5	-73.2	166.7	0	0	0	112.6	Q611 A612 Q617 Q618 R619	Q611-L615 HydrophobicContact CG-CD1 4.44Å; Q611-L615 PolarHBondContact O-N 3.03Å; A612-L615 PolarHBondContact O-N 3.02Å; L615-Q617 VanDerWaalsContact C-N 3.32Å; L615-Q617 PolarHBondContact O-N 3.37Å; L615-Q618 WeakPolarHBondContact O-CB 3.46Å; L615-Q618 PolarHBondContact O-N 3.14Å; L615-R619 PolarHBondContact O-N 3.44Å
616	E	58.5	Low	58.5	Low	81 Å²	81	112.8 Å²	112.8	38%	0.379	53%	0.53	S	S	.	.	H	α-helix	trans	-68.1	-31.7	176.5	-172.3	60.7	-153.5	0	0	111.6	A612 R619 I620	A612-E616 PolarHBondContact O-N 2.86Å; E616-R619 WeakPolarHBondContact O-CB 3.37Å; E616-R619 PolarHBondContact O-N 2.98Å; E616-R619 IonicContact OE1-NH1 3.59Å; E616-R619 WeakPolarHBondContact OE2-CD 3.48Å; E616-R619 IonicContact OE2-CZ 3.69Å; E616-R619 IonicContact OE2-NE 3.89Å; E616-R619 IonicContact OE2-NH1 2.77Å; E616-R619 PolarHBondContact OE2-NH1 3.47Å; E616-I620 HydrophobicContact CG-CD1 4.17Å; E616-I620 WeakPolarHBondContact O-CB 3.43Å; E616-I620 VanDerWaalsContact O-CG1 3.25Å; E616-I620 WeakPolarHBondContact O-CG1 3.34Å; E616-I620 PolarHBondContact O-N 3.01Å
617	Q	59.6	Low	58.6	Low	122 Å²	122	114.2 Å²	114.2	57%	0.57	53%	0.531	S	S	*	.	H	α-helix	trans	-62.3	-42.9	168.5	-80.6	-165	67.9	0	0	112.7	M613 L614 L615 R619 I620 H621	M613-Q617 WeakPolarHBondContact O-CG 3.38Å; M613-Q617 PolarHBondContact O-N 3.39Å; L614-Q617 PolarHBondContact O-N 2.87Å; L615-Q617 VanDerWaalsContact C-N 3.32Å; L615-Q617 PolarHBondContact O-N 3.37Å; Q617-R619 VanDerWaalsContact C-N 3.34Å; Q617-R619 PolarHBondContact O-N 3.04Å; Q617-I620 PolarHBondContact O-N 3.17Å; Q617-H621 WeakPolarHBondContact O-CB 3.48Å; Q617-H621 PolarHBondContact O-N 2.68Å
618	Q	59.5	Low	59.3	Low	108 Å²	108	111.4 Å²	111.4	51%	0.505	53%	0.527	S	S	.	.	H	α-helix	trans	-61.8	-41.9	173.7	-74.2	-172.4	-14.3	0	0	111.8	L614 L615 H621 Q622	L614-Q618 PolarHBondContact O-N 2.8Å; L614-Q618 VanDerWaalsContact O-N 3.07Å; L615-Q618 WeakPolarHBondContact O-CB 3.46Å; L615-Q618 PolarHBondContact O-N 3.14Å; Q618-H621 WeakPolarHBondContact O-CB 3.49Å; Q618-H621 PolarHBondContact O-N 3.49Å; Q618-Q622 WeakPolarHBondContact O-CG 3.41Å; Q618-Q622 PolarHBondContact O-N 2.85Å
619	R	64.2	Low	59.6	Low	143 Å²	143	108.8 Å²	108.8	54%	0.54	53%	0.525	S	S	.	.	H	α-helix	trans	-62	-44.4	176.5	-167.8	-165.8	-168.6	-179.2	4.7	112.2	L615 E616 Q617 H621 Q622 L623	L615-R619 PolarHBondContact O-N 3.44Å; E616-R619 WeakPolarHBondContact O-CB 3.37Å; E616-R619 PolarHBondContact O-N 2.98Å; E616-R619 IonicContact OE1-NH1 3.59Å; E616-R619 WeakPolarHBondContact OE2-CD 3.48Å; E616-R619 IonicContact OE2-CZ 3.69Å; E616-R619 IonicContact OE2-NE 3.89Å; E616-R619 IonicContact OE2-NH1 2.77Å; E616-R619 PolarHBondContact OE2-NH1 3.47Å; Q617-R619 VanDerWaalsContact C-N 3.34Å; Q617-R619 PolarHBondContact O-N 3.04Å; R619-H621 VanDerWaalsContact C-N 3.28Å; R619-H621 PolarHBondContact O-N 3.08Å; R619-Q622 PolarHBondContact O-N 3.1Å; R619-L623 HydrophobicContact CG-CD1 4.29Å; R619-L623 WeakPolarHBondContact O-CB 3.47Å; R619-L623 WeakPolarHBondContact O-CG 3.49Å; R619-L623 PolarHBondContact O-N 3.38Å
620	I	68.1	Low	59.5	Low	68 Å²	68	105.8 Å²	105.8	35%	0.349	51%	0.513	S	S	.	.	H	α-helix	trans	-62.4	-36.9	174.4	-70.1	165.9	0	0	0	110.8	E616 Q617 R624	E616-I620 HydrophobicContact CG-CD1 4.17Å; E616-I620 WeakPolarHBondContact O-CB 3.43Å; E616-I620 VanDerWaalsContact O-CG1 3.25Å; E616-I620 WeakPolarHBondContact O-CG1 3.34Å; E616-I620 PolarHBondContact O-N 3.01Å; Q617-I620 PolarHBondContact O-N 3.17Å; I620-R624 VanDerWaalsContact O-CG 3.26Å; I620-R624 WeakPolarHBondContact O-CG 3.39Å; I620-R624 PolarHBondContact O-N 3.44Å; I620-R624 VanDerWaalsContact O-N 3.08Å
621	H	61.9	Low	59.6	Low	135 Å²	135	106.8 Å²	106.8	63%	0.625	52%	0.518	S	S	*	.	H	α-helix	trans	-66.2	-45.1	174.9	-168.5	94.8	0	0	0	112.1	Q617 Q618 R619 R624 S625	Q617-H621 WeakPolarHBondContact O-CB 3.48Å; Q617-H621 PolarHBondContact O-N 2.68Å; Q618-H621 WeakPolarHBondContact O-CB 3.49Å; Q618-H621 PolarHBondContact O-N 3.49Å; R619-H621 VanDerWaalsContact C-N 3.28Å; R619-H621 PolarHBondContact O-N 3.08Å; H621-R624 PolarHBondContact O-N 3.45Å; H621-S625 PolarHBondContact O-N 3.06Å
622	Q	63.9	Low	59.8	Low	127 Å²	127	105.5 Å²	105.5	59%	0.593	53%	0.528	S	S	*	.	H	α-helix	trans	-63.8	-40	175.6	-71.2	176.8	-3.3	0	0	112.5	Q618 R619 R624 S625 Y626	Q618-Q622 WeakPolarHBondContact O-CG 3.41Å; Q618-Q622 PolarHBondContact O-N 2.85Å; R619-Q622 PolarHBondContact O-N 3.1Å; Q622-R624 VanDerWaalsContact C-N 3.28Å; Q622-R624 PolarHBondContact O-N 3.13Å; Q622-S625 PolarHBondContact O-N 3.36Å; Q622-S625 PolarHBondContact O-OG 3.07Å; Q622-S625 VanDerWaalsContact O-OG 3.05Å; Q622-Y626 VanDerWaalsContact O-CB 3.31Å; Q622-Y626 WeakPolarHBondContact O-CB 3.41Å; Q622-Y626 PolarHBondContact O-N 3.09Å
623	L	59.7	Low	60.3	Low	103 Å²	103	105.9 Å²	105.9	54%	0.539	53%	0.531	S	S	.	.	H	α-helix	trans	-63.7	-33.9	174.2	-75.5	166.2	0	0	0	112.1	R619 R627	R619-L623 HydrophobicContact CG-CD1 4.29Å; R619-L623 WeakPolarHBondContact O-CB 3.47Å; R619-L623 WeakPolarHBondContact O-CG 3.49Å; R619-L623 PolarHBondContact O-N 3.38Å; L623-R627 VanDerWaalsContact O-CB 3.29Å; L623-R627 WeakPolarHBondContact O-CB 3.42Å; L623-R627 PolarHBondContact O-N 3.4Å
624	R	64.1	Low	59.8	Low	179 Å²	179	103.5 Å²	103.5	68%	0.675	54%	0.536	S	S	*	.	H	α-helix	trans	-71.9	-41.4	174.2	-73.1	171.1	-176	-174.9	3.5	112.5	I620 H621 Q622 R627 A628	I620-R624 VanDerWaalsContact O-CG 3.26Å; I620-R624 WeakPolarHBondContact O-CG 3.39Å; I620-R624 PolarHBondContact O-N 3.44Å; I620-R624 VanDerWaalsContact O-N 3.08Å; H621-R624 PolarHBondContact O-N 3.45Å; Q622-R624 VanDerWaalsContact C-N 3.28Å; Q622-R624 PolarHBondContact O-N 3.13Å; R624-R627 PolarHBondContact O-N 2.98Å; R624-A628 PolarHBondContact O-N 2.9Å
625	S	59.9	Low	59.2	Low	63 Å²	63	103.7 Å²	103.7	44%	0.441	54%	0.537	S	S	.	.	H	α-helix	trans	-68.5	-42	176.7	65.6	0	0	0	0	111.9	H621 Q622 R627 A628 S629	H621-S625 PolarHBondContact O-N 3.06Å; Q622-S625 PolarHBondContact O-N 3.36Å; Q622-S625 PolarHBondContact O-OG 3.07Å; Q622-S625 VanDerWaalsContact O-OG 3.05Å; S625-R627 PolarHBondContact O-N 3.42Å; S625-A628 PolarHBondContact O-N 2.78Å; S625-S629 PolarHBondContact O-N 3.04Å; S625-S629 PolarHBondContact O-OG 3.23Å
626	Y	56.5	Low	58.1	Low	160 Å²	160	105 Å²	105	63%	0.627	55%	0.552	S	S	*	*	H	α-helix	trans	-59.3	-44.2	173.5	-178	-105.8	0	0	0	112	Q622 A628 S629 M630	Q622-Y626 VanDerWaalsContact O-CB 3.31Å; Q622-Y626 WeakPolarHBondContact O-CB 3.41Å; Q622-Y626 PolarHBondContact O-N 3.09Å; Y626-A628 PolarHBondContact O-N 3.49Å; Y626-S629 PolarHBondContact O-N 3.24Å; Y626-M630 HydrophobicContact CD1-CG 4.36Å; Y626-M630 HydrophobicContact CE1-CG 4.01Å; Y626-M630 HydrophobicContact CE1-SD 4.44Å; Y626-M630 HydrophobicContact CE2-CG 4.27Å; Y626-M630 HydrophobicContact CE2-SD 4.46Å; Y626-M630 VanDerWaalsContact O-CG 3.3Å; Y626-M630 WeakPolarHBondContact O-CG 3.4Å; Y626-M630 PolarHBondContact O-N 3.28Å
627	R	56.8	Low	57.2	Low	162 Å²	162	105.7 Å²	105.7	61%	0.611	56%	0.561	S	S	*	*	H	α-helix	trans	-60.4	-44.7	174.2	-178.4	175.3	177.5	149	5	112.3	L623 R624 S625 S629 M630 E631	L623-R627 VanDerWaalsContact O-CB 3.29Å; L623-R627 WeakPolarHBondContact O-CB 3.42Å; L623-R627 PolarHBondContact O-N 3.4Å; R624-R627 PolarHBondContact O-N 2.98Å; S625-R627 PolarHBondContact O-N 3.42Å; R627-S629 PolarHBondContact O-N 3Å; R627-M630 PolarHBondContact O-N 3.32Å; R627-M630 VanDerWaalsContact O-N 3.14Å; R627-E631 IonicContact CZ-OE1 3.17Å; R627-E631 IonicContact NE-OE1 2.69Å; R627-E631 PolarHBondContact NE-OE1 3.47Å; R627-E631 VanDerWaalsContact NE-OE1 3.07Å; R627-E631 IonicContact NH2-OE1 2.71Å; R627-E631 PolarHBondContact NH2-OE1 3.38Å; R627-E631 PolarHBondContact O-N 2.9Å
628	A	61.9	Low	56.2	Low	57 Å²	57	106.1 Å²	106.1	47%	0.471	58%	0.578	S	S	.	*	H	α-helix	trans	-62.8	-39.8	177.4	0	0	0	0	0	112.3	R624 S625 Y626 M630 A632	R624-A628 PolarHBondContact O-N 2.9Å; S625-A628 PolarHBondContact O-N 2.78Å; Y626-A628 PolarHBondContact O-N 3.49Å; A628-M630 VanDerWaalsContact C-N 3.32Å; A628-M630 PolarHBondContact O-N 3.14Å; A628-A632 VanDerWaalsContact O-CB 3.31Å; A628-A632 WeakPolarHBondContact O-CB 3.45Å; A628-A632 PolarHBondContact O-N 3.39Å
629	S	60.9	Low	55.1	Low	81 Å²	81	107.8 Å²	107.8	57%	0.566	59%	0.588	S	S	*	*	H	α-helix	trans	-65.1	-32.8	172.5	-67.8	0	0	0	0	113.2	S625 Y626 R627 A633	S625-S629 PolarHBondContact O-N 3.04Å; S625-S629 PolarHBondContact O-OG 3.23Å; Y626-S629 PolarHBondContact O-N 3.24Å; R627-S629 PolarHBondContact O-N 3Å; S629-A633 PolarHBondContact O-N 3.47Å; S629-A633 VanDerWaalsContact O-N 3.17Å
630	M	51.6	Low	53.7	Low	48 Å²	48	105.4 Å²	105.4	24%	0.236	60%	0.599	C	S	.	*	H	α-helix	trans	-79	-36.8	178.2	-68.4	-92.5	61.5	0	0	113.1	Y626 R627 A628 A632 A633 G634 L635	Y626-M630 HydrophobicContact CD1-CG 4.36Å; Y626-M630 HydrophobicContact CE1-CG 4.01Å; Y626-M630 HydrophobicContact CE1-SD 4.44Å; Y626-M630 HydrophobicContact CE2-CG 4.27Å; Y626-M630 HydrophobicContact CE2-SD 4.46Å; Y626-M630 VanDerWaalsContact O-CG 3.3Å; Y626-M630 WeakPolarHBondContact O-CG 3.4Å; Y626-M630 PolarHBondContact O-N 3.28Å; R627-M630 PolarHBondContact O-N 3.32Å; R627-M630 VanDerWaalsContact O-N 3.14Å; A628-M630 VanDerWaalsContact C-N 3.32Å; A628-M630 PolarHBondContact O-N 3.14Å; M630-A632 VanDerWaalsContact C-N 3.33Å; M630-A633 HydrophobicContact CE-CB 3.89Å; M630-A633 CarbonylContact O-C 3.55Å; M630-A633 PolarHBondContact O-N 2.94Å; M630-A633 VanDerWaalsContact O-N 3.12Å; M630-G634 PolarHBondContact O-N 2.87Å; M630-L635 HydrophobicContact CE-CD1 4.05Å
631	E	57.3	Low	52	Low	118 Å²	118	106.6 Å²	106.6	55%	0.551	62%	0.619	S	S	*	*	H	α-helix	trans	-64.2	-38.4	169.7	-78.7	169.2	172.1	0	0	110.6	R627 A633 G634	R627-E631 IonicContact CZ-OE1 3.17Å; R627-E631 IonicContact NE-OE1 2.69Å; R627-E631 PolarHBondContact NE-OE1 3.47Å; R627-E631 VanDerWaalsContact NE-OE1 3.07Å; R627-E631 IonicContact NH2-OE1 2.71Å; R627-E631 PolarHBondContact NH2-OE1 3.38Å; R627-E631 PolarHBondContact O-N 2.9Å; E631-A633 PolarHBondContact O-N 3.45Å; E631-G634 PolarHBondContact O-N 2.91Å; E631-G634 VanDerWaalsContact O-N 3.13Å
632	A	58.3	Low	50.7	Low	93 Å²	93	109.1 Å²	109.1	77%	0.769	63%	0.631	S	S	*	*	H	α-helix	trans	-65.8	-21.8	171.5	0	0	0	0	0	114.2	A628 M630	A628-A632 VanDerWaalsContact O-CB 3.31Å; A628-A632 WeakPolarHBondContact O-CB 3.45Å; A628-A632 PolarHBondContact O-N 3.39Å; M630-A632 VanDerWaalsContact C-N 3.33Å
633	A	66.6	Low	49.3	Very low	59 Å²	59	114 Å²	114	49%	0.488	64%	0.644	S	S	.	*	T	Hydrogen-bonded Turn	trans	-89.2	-3.2	174	0	0	0	0	0	113.7	S629 M630 E631 L635	S629-A633 PolarHBondContact O-N 3.47Å; S629-A633 VanDerWaalsContact O-N 3.17Å; M630-A633 HydrophobicContact CE-CB 3.89Å; M630-A633 CarbonylContact O-C 3.55Å; M630-A633 PolarHBondContact O-N 2.94Å; M630-A633 VanDerWaalsContact O-N 3.12Å; E631-A633 PolarHBondContact O-N 3.45Å; A633-L635 PolarHBondContact O-N 3.1Å
634	G	46	Very low	48.1	Very low	63 Å²	63	114.7 Å²	114.7	65%	0.649	65%	0.654	S	S	*	*	T	Hydrogen-bonded Turn	trans	73.6	17	173.9	0	0	0	0	0	115.9	M630 E631	M630-G634 PolarHBondContact O-N 2.87Å; E631-G634 PolarHBondContact O-N 2.91Å; E631-G634 VanDerWaalsContact O-N 3.13Å
635	L	46.7	Very low	46.6	Very low	106 Å²	106	115 Å²	115	56%	0.555	67%	0.668	S	S	*	*			trans	-98.3	120.7	-179.9	-64.4	178.4	0	0	0	111.3	M630 A633 V637	M630-L635 HydrophobicContact CE-CD1 4.05Å; A633-L635 PolarHBondContact O-N 3.1Å; L635-V637 PolarHBondContact O-N 2.75Å
636	P	38.1	Very low	45.3	Very low	130 Å²	130	117.5 Å²	117.5	84%	0.844	69%	0.686	S	S	*	*			trans	-77.8	120.1	179.3	30.4	-33.1	0	0	0	111.4
637	V	38.8	Very low	44.4	Very low	95 Å²	95	121.4 Å²	121.4	58%	0.576	70%	0.7	S	S	*	*			trans	-119.2	103	178.9	177.9	0	0	0	0	110.4	L635 I639	L635-V637 PolarHBondContact O-N 2.75Å; V637-I639 HydrophobicContact CG1-CD1 3.77Å; V637-I639 HydrophobicContact CG1-CG1 3.82Å
638	S	38.4	Very low	43.3	Very low	131 Å²	131	120 Å²	120	92%	0.916	71%	0.709	S	S	*	*			trans	-90.6	99.9	169.3	-74.7	0	0	0	0	110.4
639	I	37.9	Very low	42	Very low	143 Å²	143	126.1 Å²	126.1	73%	0.733	73%	0.728	S	S	*	*			trans	-100.9	120.7	167.2	-69.6	164.9	0	0	0	108.4	V637 A641	V637-I639 HydrophobicContact CG1-CD1 3.77Å; V637-I639 HydrophobicContact CG1-CG1 3.82Å; I639-A641 PolarHBondContact O-N 3.49Å; I639-A641 VanDerWaalsContact O-N 3.11Å
640	A	34.9	Very low	40.6	Very low	93 Å²	93	127.8 Å²	127.8	77%	0.769	74%	0.74	S	S	*	*			trans	-74.5	97	176.1	0	0	0	0	0	110.5
641	A	32.5	Very low	39.5	Very low	92 Å²	92	131 Å²	131	76%	0.76	77%	0.767	S	S	*	*	P	Polyproline II helix	trans	-78.4	118.5	170.8	0	0	0	0	0	110.2	I639 R643	I639-A641 PolarHBondContact O-N 3.49Å; I639-A641 VanDerWaalsContact O-N 3.11Å; A641-R643 PolarHBondContact O-N 2.64Å
642	H	34	Very low	39.2	Very low	188 Å²	188	131.3 Å²	131.3	87%	0.87	78%	0.779	S	S	*	*	P	Polyproline II helix	trans	-65.1	132.4	172.5	-74.7	-94.5	0	0	0	110.6
643	R	35.3	Very low	37.9	Very low	230 Å²	230	131 Å²	131	87%	0.868	78%	0.777	S	S	*	*	P	Polyproline II helix	trans	-94.6	141.7	177.4	-157.1	178.2	-165.3	-163.6	3.9	109.5	A641	A641-R643 PolarHBondContact O-N 2.64Å
644	P	33.8	Very low	36.2	Very low	118 Å²	118	134 Å²	134	77%	0.766	79%	0.794	S	S	*	*	P	Polyproline II helix	trans	-60.9	145.4	175.5	-22.6	33.7	0	0	0	112
645	L	32.4	Very low	35.4	Very low	184 Å²	184	134.3 Å²	134.3	96%	0.963	79%	0.791	S	S	*	*	P	Polyproline II helix	trans	-79.6	125.8	177.3	-73.4	168.2	0	0	0	111.2
646	S	31.7	Very low	34.8	Very low	116 Å²	116	135.2 Å²	135.2	81%	0.811	81%	0.806	S	S	*	*			trans	-120.8	134.9	166.3	57.3	0	0	0	0	109.9
647	R	39.1	Very low	34.6	Very low	243 Å²	243	137.4 Å²	137.4	92%	0.917	80%	0.802	S	S	*	*			trans	-92.9	111.1	-161.6	175.8	-165.7	-167.8	177.1	5.1	113.4
648	T	33.1	Very low	34.6	Very low	133 Å²	133	138.2 Å²	138.2	82%	0.816	81%	0.809	S	S	*	*			trans	-164.6	115.6	151.9	32.4	0	0	0	0	113.9
649	Q	33.9	Very low	34.4	Very low	184 Å²	184	139.6 Å²	139.6	86%	0.86	81%	0.805	S	S	*	*			trans	32.9	147.6	139.9	-57.4	-137.7	38.8	0	0	125.1
650	S	31.2	Very low	34.3	Very low	116 Å²	116	138.7 Å²	138.7	81%	0.811	81%	0.806	S	S	*	*			trans	83.4	141.5	154.2	70.2	0	0	0	0	120.2
651	S	29.9	Very low	34.6	Very low	115 Å²	115	139.8 Å²	139.8	80%	0.804	80%	0.803	S	S	*	*			trans	-127	-175.9	-170.6	-36.3	0	0	0	0	109.4
652	P	51	Low	35.1	Very low	125 Å²	125	140.7 Å²	140.7	81%	0.812	80%	0.801	S	S	*	*			cis	-132.2	-174.9	-9.7	40.3	-23.6	0	0	0	114.5
653	A	30.5	Very low	35.4	Very low	88 Å²	88	139.8 Å²	139.8	73%	0.727	80%	0.797	S	S	*	*			trans	122.4	149	141.5	0	0	0	0	0	119
654	S	30.2	Very low	35.7	Very low	120 Å²	120	133.6 Å²	133.6	84%	0.839	79%	0.787	S	S	*	*			trans	64.2	72.4	156.6	-57.1	0	0	0	0	119.3
655	A	30.9	Very low	36.2	Very low	71 Å²	71	133.8 Å²	133.8	59%	0.587	79%	0.788	S	S	*	*			trans	-88.8	112.3	156.9	0	0	0	0	0	110.9	F657	A655-F657 HydrophobicContact CB-CD2 4.38Å; A655-F657 HydrophobicContact CB-CE2 3.9Å; A655-F657 HydrophobicContact CB-CZ 4.07Å; A655-F657 WeakPolarHBondContact O-CD2 3.46Å; A655-F657 PolarHBondContact O-N 3.18Å; A655-F657 VanDerWaalsContact O-N 3.16Å
656	S	34	Very low	37.2	Very low	125 Å²	125	129.6 Å²	129.6	87%	0.874	77%	0.77	S	S	*	*			trans	-77.8	92.7	167.5	-62.4	0	0	0	0	109.7
657	F	32.7	Very low	38.1	Very low	176 Å²	176	133.4 Å²	133.4	77%	0.772	77%	0.772	S	S	*	*			trans	-65.9	140.4	174.4	-65.6	-84.3	0	0	0	111	A655	A655-F657 HydrophobicContact CB-CD2 4.38Å; A655-F657 HydrophobicContact CB-CE2 3.9Å; A655-F657 HydrophobicContact CB-CZ 4.07Å; A655-F657 WeakPolarHBondContact O-CD2 3.46Å; A655-F657 PolarHBondContact O-N 3.18Å; A655-F657 VanDerWaalsContact O-N 3.16Å
658	P	38.7	Very low	39.3	Very low	111 Å²	111	126.3 Å²	126.3	72%	0.721	75%	0.749	S	S	*	*			trans	-62.8	141.8	162.2	29.8	-33.4	0	0	0	108.6	V660	P658-V660 PolarHBondContact O-N 2.69Å
659	I	33.7	Very low	41.5	Very low	160 Å²	160	128.2 Å²	128.2	82%	0.821	74%	0.741	S	S	*	*			trans	-65.8	104.1	177.3	-62.2	173.7	0	0	0	108.1	V661	I659-V661 PolarHBondContact O-N 3.44Å; I659-V661 VanDerWaalsContact O-N 3.1Å
660	V	37.1	Very low	44.4	Very low	124 Å²	124	126.1 Å²	126.1	75%	0.752	73%	0.729	S	S	*	*			trans	-66.1	106.4	162.1	177.3	0	0	0	0	106	P658 P662	P658-V660 PolarHBondContact O-N 2.69Å; V660-P662 WeakPolarHBondContact O-CD 3.25Å
661	V	41	Very low	47.6	Very low	116 Å²	116	121.9 Å²	121.9	70%	0.703	70%	0.699	S	S	*	*			trans	-56	123.9	163.7	176.3	0	0	0	0	106.2	I659 E663	I659-V661 PolarHBondContact O-N 3.44Å; I659-V661 VanDerWaalsContact O-N 3.1Å; V661-E663 PolarHBondContact O-N 3.5Å
662	P	41.9	Very low	50.8	Low	111 Å²	111	116.4 Å²	116.4	72%	0.721	66%	0.66	S	S	*	*			trans	-58.9	111.6	175.6	-23.8	34.5	0	0	0	108.8	V660	V660-P662 WeakPolarHBondContact O-CD 3.25Å
663	E	40.8	Very low	53.1	Low	169 Å²	169	110.5 Å²	110.5	79%	0.79	62%	0.622	S	S	*	*	P	Polyproline II helix	trans	-59	126.1	169.8	-167	163.5	-138.6	0	0	106.6	V661	V661-E663 PolarHBondContact O-N 3.5Å
664	P	41.3	Very low	56.4	Low	101 Å²	101	106.3 Å²	106.3	66%	0.656	59%	0.587	S	S	*	*	P	Polyproline II helix	trans	-59.5	137.9	-171.9	24.1	-33.9	0	0	0	109	V666	P664-V666 PolarHBondContact O-N 3.31Å
665	P	44.5	Very low	59.6	Low	121 Å²	121	100.6 Å²	100.6	79%	0.786	55%	0.547	S	S	*	.	P	Polyproline II helix	trans	-55	116.4	-173.2	21.7	-33.3	0	0	0	109.5	K667	P665-K667 PolarHBondContact O-N 3.19Å
666	V	53.3	Low	62.8	Low	97 Å²	97	99 Å²	99	59%	0.588	53%	0.526	S	S	*	.			trans	-61.7	110.2	-175.9	179.3	0	0	0	0	107.4	P664 H668	P664-V666 PolarHBondContact O-N 3.31Å; V666-H668 PolarHBondContact O-N 3.31Å
667	K	51.4	Low	65.9	Low	195 Å²	195	94.7 Å²	94.7	85%	0.848	49%	0.493	S	S	*	.			trans	-73.1	77.5	174	-69.2	-172	176.9	-174.2	0	108.6	P665 R669	P665-K667 PolarHBondContact O-N 3.19Å; K667-R669 PolarHBondContact O-N 3.26Å
668	H	63.5	Low	68.9	Low	94 Å²	94	89.3 Å²	89.3	44%	0.435	48%	0.478	S	S	.	.			trans	-49.5	126.9	168.7	-69.6	-58.5	0	0	0	108.8	V666 E717	V666-H668 PolarHBondContact O-N 3.31Å; H668-E717 IonicContact ND1-OE2 3.5Å
669	R	80.8	Confident	71.7	Confident	173 Å²	173	88.1 Å²	88.1	65%	0.653	47%	0.465	S	S	*	.			trans	-75	133.7	175.6	-67.7	169.5	160.8	-174.8	-7.4	108.3	K667 T671 E717	K667-R669 PolarHBondContact O-N 3.26Å; R669-T671 HydrophobicContact CB-CG2 3.84Å; R669-T671 PolarHBondContact O-N 3.49Å; R669-E717 HydrophobicContact CB-CG 4.3Å; R669-E717 VanDerWaalsContact CB-OE1 3.32Å; R669-E717 WeakPolarHBondContact CB-OE1 3.33Å; R669-E717 WeakPolarHBondContact CG-OE1 3.24Å; R669-E717 PolarHBondContact N-OE1 2.7Å
670	F	94.4	Very high	74.8	Confident	141 Å²	141	80.5 Å²	80.5	62%	0.618	43%	0.426	S	S	*	.	S	Bend	trans	-73	77.2	170.9	-171	-104.5	0	0	0	109.5	G800 L802 K803	F670-G800 WeakPolarHBondContact CD2-O 3.45Å; F670-G800 WeakPolarHBondContact CE2-O 3.15Å; F670-L802 WeakPolarHBondContact CE2-O 3.21Å; F670-K803 HydrophobicContact CD1-CB 4.1Å; F670-K803 HydrophobicContact CE1-CB 3.83Å; F670-K803 HydrophobicContact CE1-CG 4.02Å; F670-K803 HydrophobicContact CE2-CB 4.28Å; F670-K803 HydrophobicContact CG-CB 4.45Å; F670-K803 HydrophobicContact CZ-CB 3.93Å; F670-K803 HydrophobicContact CZ-CG 4.31Å
671	T	97.4	Very high	77.7	Confident	27 Å²	27	76.3 Å²	76.3	17%	0.166	40%	0.398	C	S	.	.	S	Bend	trans	-138.1	-171.6	-175.6	-168.4	0	0	0	0	109.4	R669 Q715 E717 K803	R669-T671 HydrophobicContact CB-CG2 3.84Å; R669-T671 PolarHBondContact O-N 3.49Å; T671-Q715 PolarHBondContact OG1-O 3.4Å; T671-E717 HydrophobicContact CG2-CB 4.46Å; T671-E717 HydrophobicContact CG2-CG 3.73Å; T671-K803 PolarHBondContact O-N 2.92Å
672	T	98.7	Very high	80.3	Confident	0 Å²	0	76 Å²	76	0%	0	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	129.2	174.4	-54.7	0	0	0	0	111.2	C716 E717 N804 L1004 L1005	T672-C716 CarbonylContact O-C 3.59Å; T672-C716 WeakPolarHBondContact O-CA 3.41Å; T672-C716 VanDerWaalsContact O-CB 3.24Å; T672-C716 WeakPolarHBondContact O-CB 3.38Å; T672-E717 PolarHBondContact O-N 3.22Å; T672-N804 CarbonylContact C-O 3.47Å; T672-N804 WeakPolarHBondContact CA-O 3.3Å; T672-N804 VanDerWaalsContact CA-OD1 3.26Å; T672-N804 WeakPolarHBondContact CA-OD1 3.47Å; T672-N804 WeakPolarHBondContact CB-OD1 3.28Å; T672-N804 PolarHBondContact OG1-OD1 3.12Å; T672-L1004 HydrophobicContact CG2-CB 3.73Å; T672-L1004 HydrophobicContact CG2-CD1 4.02Å; T672-L1004 VanDerWaalsContact OG1-C 3.22Å; T672-L1004 PolarHBondContact OG1-O 3.4Å; T672-L1005 WeakPolarHBondContact OG1-CA 3.3Å; T672-L1005 PolarHBondContact OG1-N 3.11Å
673	G	98.6	Very high	82.8	Confident	0 Å²	0	71 Å²	71	0%	0	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	143.6	169.2	0	0	0	0	0	112.4	E717 N804 G805 F806	G673-E717 CarbonylContact C-O 3.52Å; G673-E717 WeakPolarHBondContact CA-O 3.46Å; G673-N804 PolarHBondContact N-O 3.04Å; G673-G805 CarbonylContact O-C 3.52Å; G673-G805 WeakPolarHBondContact O-CA 3.39Å; G673-F806 PolarHBondContact O-N 3.1Å
674	L	98.8	Very high	85.3	Confident	1 Å²	1	66.7 Å²	66.7	1%	0.005	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	130.8	169.3	-63.4	178	0	0	0	110	W704 R713 C716 E717 I719 F806 I1001	L674-W704 HydrophobicContact CB-CZ3 4.17Å; L674-W704 HydrophobicContact CD1-CZ3 4.43Å; L674-R713 HydrophobicContact CD1-CB 4.32Å; L674-R713 HydrophobicContact CD1-CG 4.27Å; L674-C716 HydrophobicContact CB-CB 4.45Å; L674-C716 HydrophobicContact CD1-CB 3.67Å; L674-C716 HydrophobicContact CG-CB 3.63Å; L674-E717 PolarHBondContact N-O 2.96Å; L674-I719 PolarHBondContact O-N 3.44Å; L674-F806 WeakPolarHBondContact CA-O 3.3Å; L674-F806 HydrophobicContact CD2-CB 3.78Å; L674-I1001 HydrophobicContact CD2-CD1 3.57Å; L674-I1001 HydrophobicContact CD2-CG1 3.95Å; L674-I1001 HydrophobicContact CD2-CG2 4.28Å
675	V	98.6	Very high	87.8	Confident	0 Å²	0	62.3 Å²	62.3	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	136.2	172.3	70.9	0	0	0	0	111	I719 L793 F806 A807 V808	V675-I719 HydrophobicContact CB-CB 4.17Å; V675-I719 HydrophobicContact CB-CG2 4.5Å; V675-I719 HydrophobicContact CG2-CB 4.38Å; V675-I719 HydrophobicContact CG2-CG2 4.35Å; V675-L793 HydrophobicContact CB-CB 4.49Å; V675-L793 HydrophobicContact CG1-CB 4.03Å; V675-L793 HydrophobicContact CG1-CD2 3.98Å; V675-F806 PolarHBondContact N-O 3.06Å; V675-A807 HydrophobicContact CG1-CB 3.46Å; V675-A807 VanDerWaalsContact CG1-CB 3.46Å; V675-V808 PolarHBondContact O-N 2.8Å
676	Y	98.4	Very high	89.9	Confident	36 Å²	36	61.4 Å²	61.4	14%	0.141	29%	0.293	C	S	.	.			trans	-162	145.8	-177.4	168.4	-95	0	0	0	109.6	Q681 I700 W704 V808	Y676-Q681 PolarHBondContact OH-NE2 2.81Å; Y676-I700 HydrophobicContact CE2-CB 4.16Å; Y676-I700 HydrophobicContact CE2-CD1 3.95Å; Y676-I700 HydrophobicContact CE2-CG1 4.26Å; Y676-W704 VanDerWaalsContact CB-CZ3 3.49Å; Y676-W704 AromaticContact CD1-CD1 3.91Å; Y676-W704 AromaticContact CD1-CD2 3.58Å; Y676-W704 HydrophobicContact CD1-CD2 3.58Å; Y676-W704 AromaticContact CD1-CE2 3.4Å; Y676-W704 HydrophobicContact CD1-CE3 4.15Å; Y676-W704 AromaticContact CD1-CG 3.85Å; Y676-W704 HydrophobicContact CD1-CG 3.85Å; Y676-W704 HydrophobicContact CD1-CH2 4.33Å; Y676-W704 AromaticContact CD1-CZ2 3.77Å; Y676-W704 HydrophobicContact CD1-CZ2 3.77Å; Y676-W704 AromaticContact CD1-NE1 3.63Å; Y676-W704 HydrophobicContact CD2-CB 4.09Å; Y676-W704 HydrophobicContact CD2-CD2 4.02Å; Y676-W704 HydrophobicContact CD2-CE3 4.14Å; Y676-W704 HydrophobicContact CD2-CG 4.04Å; Y676-W704 HydrophobicContact CE1-CB 4.42Å; Y676-W704 AromaticContact CE1-CD1 3.54Å; Y676-W704 AromaticContact CE1-CD2 4Å; Y676-W704 HydrophobicContact CE1-CD2 4Å; Y676-W704 AromaticContact CE1-CE2 3.86Å; Y676-W704 AromaticContact CE1-CG 3.75Å; Y676-W704 HydrophobicContact CE1-CG 3.75Å; Y676-W704 AromaticContact CE1-NE1 3.58Å; Y676-W704 HydrophobicContact CE2-CB 3.78Å; Y676-W704 HydrophobicContact CE2-CD2 4.39Å; Y676-W704 AromaticContact CE2-CG 3.94Å; Y676-W704 HydrophobicContact CE2-CG 3.94Å; Y676-W704 AromaticContact CG-CD2 3.58Å; Y676-W704 HydrophobicContact CG-CD2 3.58Å; Y676-W704 AromaticContact CG-CE2 3.85Å; Y676-W704 AromaticContact CG-CE3 3.72Å; Y676-W704 HydrophobicContact CG-CE3 3.72Å; Y676-W704 AromaticContact CG-CG 3.98Å; Y676-W704 HydrophobicContact CG-CG 3.98Å; Y676-W704 HydrophobicContact CG-CH2 4.3Å; Y676-W704 HydrophobicContact CG-CZ2 4.17Å; Y676-W704 HydrophobicContact CG-CZ3 4.09Å; Y676-W704 AromaticContact CZ-CD1 3.82Å; Y676-W704 AromaticContact CZ-CG 3.78Å; Y676-V808 HydrophobicContact CD2-CB 4.14Å; Y676-V808 HydrophobicContact CD2-CG1 4.03Å
677	D	97.9	Very high	91.6	Very high	35 Å²	35	58.9 Å²	58.9	19%	0.187	28%	0.279	C	S	.	.			trans	-146.6	129.8	171.7	-167.5	-51	0	0	0	110.3	L679 M680 L785	D677-L679 PolarHBondContact O-N 3.04Å; D677-L679 VanDerWaalsContact OD1-CB 3.29Å; D677-L679 WeakPolarHBondContact OD1-CB 3.36Å; D677-L679 WeakPolarHBondContact OD1-CG 3.12Å; D677-L679 PolarHBondContact OD1-N 3.15Å; D677-M680 HydrophobicContact CB-CE 4.17Å; D677-M680 VanDerWaalsContact N-CE 3.31Å; D677-M680 WeakPolarHBondContact O-CB 3.34Å; D677-M680 WeakPolarHBondContact O-CE 3.31Å; D677-M680 PolarHBondContact O-N 2.74Å; D677-M680 VanDerWaalsContact O-N 3.15Å; D677-L785 HydrophobicContact CB-CD1 4.38Å; D677-L785 HydrophobicContact CB-CD2 3.89Å; D677-L785 HydrophobicContact CB-CG 4.21Å
678	S	97.3	Very high	93.1	Very high	64 Å²	64	51.9 Å²	51.9	45%	0.448	26%	0.262	S	S	.	.	G	3₁₀ helix	trans	-70.5	-11.8	-177.6	59.5	0	0	0	0	114	M680 Q681	S678-M680 PolarHBondContact O-N 2.84Å; S678-Q681 VanDerWaalsContact O-CB 3.24Å; S678-Q681 WeakPolarHBondContact O-CB 3.49Å; S678-Q681 WeakPolarHBondContact O-CG 3.35Å; S678-Q681 PolarHBondContact O-N 3.12Å; S678-Q681 VanDerWaalsContact O-N 3.14Å
679	L	97.3	Very high	94.1	Very high	85 Å²	85	50.4 Å²	50.4	45%	0.445	26%	0.258	S	S	.	.	G	3₁₀ helix	trans	-66.2	-24.8	170.1	-65.8	175.2	0	0	0	112.3	D677 Q681 K682 L785	D677-L679 PolarHBondContact O-N 3.04Å; D677-L679 VanDerWaalsContact OD1-CB 3.29Å; D677-L679 WeakPolarHBondContact OD1-CB 3.36Å; D677-L679 WeakPolarHBondContact OD1-CG 3.12Å; D677-L679 PolarHBondContact OD1-N 3.15Å; L679-Q681 PolarHBondContact O-N 3.14Å; L679-K682 WeakPolarHBondContact O-CB 3.45Å; L679-K682 PolarHBondContact O-N 3.01Å; L679-L785 HydrophobicContact CB-CD2 3.61Å; L679-L785 HydrophobicContact CD1-CD2 4.32Å
680	M	98.3	Very high	94	Very high	0 Å²	0	44 Å²	44	0%	0	24%	0.242	C	C	.	.	G	3₁₀ helix	trans	-64.5	-22.4	172	-68.7	-176	-72.2	0	0	112.6	D677 S678 K682 I700 L785 A786 V808 V809 R810	D677-M680 HydrophobicContact CB-CE 4.17Å; D677-M680 VanDerWaalsContact N-CE 3.31Å; D677-M680 WeakPolarHBondContact O-CB 3.34Å; D677-M680 WeakPolarHBondContact O-CE 3.31Å; D677-M680 PolarHBondContact O-N 2.74Å; D677-M680 VanDerWaalsContact O-N 3.15Å; S678-M680 PolarHBondContact O-N 2.84Å; M680-K682 PolarHBondContact O-N 3.29Å; M680-I700 HydrophobicContact CB-CD1 3.8Å; M680-L785 HydrophobicContact CG-CB 4.26Å; M680-L785 HydrophobicContact CG-CD2 4.08Å; M680-L785 HydrophobicContact CG-CG 4.04Å; M680-A786 HydrophobicContact SD-CB 3.98Å; M680-V808 WeakPolarHBondContact CE-O 3.32Å; M680-V809 HydrophobicContact CE-CB 4.35Å; M680-V809 HydrophobicContact CE-CG1 4.02Å; M680-V809 HydrophobicContact SD-CB 3.9Å; M680-V809 HydrophobicContact SD-CG1 3.94Å; M680-R810 HydrophobicContact CB-CG 4.21Å; M680-R810 PolarHBondContact O-NH1 2.99Å
681	Q	96.8	Very high	93.4	Very high	36 Å²	36	43.4 Å²	43.4	17%	0.168	25%	0.25	C	S	.	.	G	3₁₀ helix	trans	-67.1	-19.4	172	-59.7	179.5	-3.8	0	0	112.9	Y676 S678 L679 H683 A697 I700	Y676-Q681 PolarHBondContact OH-NE2 2.81Å; S678-Q681 VanDerWaalsContact O-CB 3.24Å; S678-Q681 WeakPolarHBondContact O-CB 3.49Å; S678-Q681 WeakPolarHBondContact O-CG 3.35Å; S678-Q681 PolarHBondContact O-N 3.12Å; S678-Q681 VanDerWaalsContact O-N 3.14Å; L679-Q681 PolarHBondContact O-N 3.14Å; Q681-H683 VanDerWaalsContact C-N 3.3Å; Q681-H683 PolarHBondContact O-N 3.44Å; Q681-A697 HydrophobicContact CB-CB 3.92Å; Q681-A697 HydrophobicContact CG-CB 4.45Å; Q681-A697 VanDerWaalsContact O-CB 3.28Å; Q681-A697 WeakPolarHBondContact O-CB 3.31Å; Q681-I700 HydrophobicContact CG-CD1 3.91Å; Q681-I700 HydrophobicContact CG-CG1 4.29Å
682	K	95.8	Very high	92.9	Very high	111 Å²	111	46.5 Å²	46.5	48%	0.483	26%	0.264	S	S	.	.	G	3₁₀ helix	trans	-78.2	-13.9	-175.5	-59.8	-54.3	-176.6	-168.9	0	113.9	L679 M680 Q684 H778	L679-K682 WeakPolarHBondContact O-CB 3.45Å; L679-K682 PolarHBondContact O-N 3.01Å; M680-K682 PolarHBondContact O-N 3.29Å; K682-Q684 PolarHBondContact O-N 3.05Å; K682-H778 HydrophobicContact CB-CB 3.93Å; K682-H778 WeakPolarHBondContact O-CB 3.28Å; K682-H778 PolarHBondContact O-CD2 2.81Å; K682-H778 VanDerWaalsContact O-CD2 3.29Å
683	H	95.5	Very high	92.5	Very high	4 Å²	4	47.2 Å²	47.2	2%	0.019	27%	0.268	C	S	.	.			trans	-70.5	92.5	164.2	167.3	60.1	0	0	0	109.5	Q681 E695 I773 S779 A782 R810	Q681-H683 VanDerWaalsContact C-N 3.3Å; Q681-H683 PolarHBondContact O-N 3.44Å; H683-E695 IonicContact CD2-OE2 3.8Å; H683-E695 IonicContact NE2-OE2 3.86Å; H683-I773 VanDerWaalsContact CE1-CD1 3.47Å; H683-I773 WeakPolarHBondContact CE1-CD1 3.39Å; H683-I773 PolarHBondContact CE1-O 2.97Å; H683-S779 PolarHBondContact CE1-OG 2.85Å; H683-S779 PolarHBondContact ND1-OG 2.99Å; H683-A782 HydrophobicContact CB-CB 3.45Å; H683-A782 VanDerWaalsContact CB-CB 3.45Å; H683-R810 PolarHBondContact CD2-NH2 3.12Å; H683-R810 VanDerWaalsContact CD2-NH2 3.34Å; H683-R810 VanDerWaalsContact O-CZ 3.27Å; H683-R810 PolarHBondContact O-NH1 2.88Å; H683-R810 PolarHBondContact O-NH2 3.48Å
684	Q	93.2	Very high	92.2	Very high	80 Å²	80	48.9 Å²	48.9	37%	0.374	28%	0.278	S	S	.	.			trans	-145.4	143.1	179.1	-171.5	178.3	7	0	0	109.4	K682 N775	K682-Q684 PolarHBondContact O-N 3.05Å; Q684-N775 PolarHBondContact O-ND2 2.95Å
685	C	92.5	Very high	92	Very high	8 Å²	8	49.1 Å²	49.1	5%	0.054	28%	0.28	C	S	.	.			trans	-63.3	138.2	178.1	-170.2	0	0	0	0	111.2	C687 G688 H693 I773	C685-C687 PolarHBondContact O-N 3.12Å; C685-C687 VanDerWaalsContact O-N 3.08Å; C685-G688 PolarHBondContact O-N 3.38Å; C685-H693 PolarHBondContact SG-NE2 3.43Å; C685-H693 VanDerWaalsContact SG-NE2 3.42Å; C685-I773 HydrophobicContact CB-CB 4.08Å; C685-I773 HydrophobicContact CB-CD1 4.19Å; C685-I773 HydrophobicContact CB-CG1 4.17Å; C685-I773 HydrophobicContact CB-CG2 4.07Å
686	I	90.4	Very high	91.9	Very high	103 Å²	103	50.9 Å²	50.9	53%	0.528	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-11.8	-177.9	61.9	170.6	0	0	0	113.8	G688	I686-G688 PolarHBondContact O-N 3.33Å
687	C	88.4	Confident	91.7	Very high	43 Å²	43	49.6 Å²	49.6	29%	0.291	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-19	170.8	72.6	0	0	0	0	113	C685 N689 H693 C763	C685-C687 PolarHBondContact O-N 3.12Å; C685-C687 VanDerWaalsContact O-N 3.08Å; C687-N689 PolarHBondContact O-N 3.32Å; C687-N689 PolarHBondContact SG-N 2.93Å; C687-H693 VanDerWaalsContact SG-CD2 3.6Å; C687-H693 PolarHBondContact SG-NE2 3.31Å; C687-H693 VanDerWaalsContact SG-NE2 3.41Å; C687-C763 HydrophobicContact CB-CB 3.93Å; C687-C763 VanDerWaalsContact CB-O 3.23Å; C687-C763 WeakPolarHBondContact CB-O 3.5Å
688	G	82.5	Confident	91.6	Very high	48 Å²	48	48.5 Å²	48.5	50%	0.495	28%	0.282	S	S	.	.			trans	70.8	-11.5	-178.4	0	0	0	0	0	115.6	C685 I686 A690	C685-G688 PolarHBondContact O-N 3.38Å; I686-G688 PolarHBondContact O-N 3.33Å; G688-A690 PolarHBondContact O-N 3.34Å
689	N	83.9	Confident	91.7	Very high	64 Å²	64	45.5 Å²	45.5	34%	0.342	26%	0.261	S	S	.	.			trans	-86.4	109.6	-174	-169.4	5.9	0	0	0	112.9	C687 T691 I692	C687-N689 PolarHBondContact O-N 3.32Å; C687-N689 PolarHBondContact SG-N 2.93Å; N689-T691 VanDerWaalsContact C-N 3.33Å; N689-T691 PolarHBondContact ND2-OG1 3.27Å; N689-T691 VanDerWaalsContact ND2-OG1 3.12Å; N689-T691 PolarHBondContact OD1-N 3.13Å; N689-T691 PolarHBondContact OD1-OG1 2.91Å; N689-T691 VanDerWaalsContact OD1-OG1 3.12Å; N689-I692 HydrophobicContact CB-CD1 4.29Å; N689-I692 WeakPolarHBondContact ND2-CD1 3.37Å
690	A	80.3	Confident	91.7	Very high	39 Å²	39	41.4 Å²	41.4	32%	0.322	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.4	-17.1	175.4	0	0	0	0	0	114.2	G688 I692 H696	G688-A690 PolarHBondContact O-N 3.34Å; A690-I692 PolarHBondContact O-N 3.44Å; A690-H696 HydrophobicContact CB-CB 4.31Å
691	T	81.5	Confident	91.7	Very high	128 Å²	128	46.1 Å²	46.1	79%	0.785	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.2	-9.3	180	77.2	0	0	0	0	113.7	N689	N689-T691 VanDerWaalsContact C-N 3.33Å; N689-T691 PolarHBondContact ND2-OG1 3.27Å; N689-T691 VanDerWaalsContact ND2-OG1 3.12Å; N689-T691 PolarHBondContact OD1-N 3.13Å; N689-T691 PolarHBondContact OD1-OG1 2.91Å; N689-T691 VanDerWaalsContact OD1-OG1 3.12Å
692	I	86.2	Confident	91.8	Very high	91 Å²	91	46.2 Å²	46.2	47%	0.467	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.6	-21.8	178.5	-65.2	172	0	0	0	111	N689 A690 C763	N689-I692 HydrophobicContact CB-CD1 4.29Å; N689-I692 WeakPolarHBondContact ND2-CD1 3.37Å; A690-I692 PolarHBondContact O-N 3.44Å; I692-C763 HydrophobicContact CD1-CB 4.42Å; I692-C763 HydrophobicContact CG2-CB 4.31Å
693	H	90.9	Very high	92	Very high	16 Å²	16	41 Å²	41	7%	0.074	24%	0.243	C	C	.	.			trans	-119.9	100.1	-174.6	-63.3	-57.4	0	0	0	109.3	C685 C687 E695 C763 I773	C685-H693 PolarHBondContact SG-NE2 3.43Å; C685-H693 VanDerWaalsContact SG-NE2 3.42Å; C687-H693 VanDerWaalsContact SG-CD2 3.6Å; C687-H693 PolarHBondContact SG-NE2 3.31Å; C687-H693 VanDerWaalsContact SG-NE2 3.41Å; H693-E695 VanDerWaalsContact C-N 3.31Å; H693-E695 PolarHBondContact O-N 3.29Å; H693-C763 PolarHBondContact NE2-SG 2.83Å; H693-I773 VanDerWaalsContact CE1-CG2 3.49Å; H693-I773 WeakPolarHBondContact CE1-CG2 3.25Å; H693-I773 WeakPolarHBondContact ND1-CG2 3.33Å
694	P	92.6	Very high	92.1	Very high	34 Å²	34	41.6 Å²	41.6	22%	0.221	25%	0.246	C	C	.	.	S	Bend	trans	-65.9	-34.5	-176.2	27.2	-34.4	0	0	0	111.7	H696 F824 L955 H988	P694-H696 PolarHBondContact O-CD2 2.97Å; P694-H696 PolarHBondContact O-N 3.33Å; P694-H696 VanDerWaalsContact O-N 3.07Å; P694-F824 HydrophobicContact CG-CE1 4.19Å; P694-F824 HydrophobicContact CG-CZ 3.79Å; P694-L955 HydrophobicContact CB-CD1 4.26Å; P694-H988 HydrophobicContact CB-CB 4.24Å; P694-H988 PolarHBondContact O-CD2 3.49Å
695	E	94.6	Very high	92.4	Very high	7 Å²	7	40 Å²	40	3%	0.033	24%	0.243	C	C	.	.	S	Bend	trans	-77.3	90.6	166.9	-149.6	-55.9	103.7	0	0	109.8	H683 H693 R699 R810 P812 F824	H683-E695 IonicContact CD2-OE2 3.8Å; H683-E695 IonicContact NE2-OE2 3.86Å; H693-E695 VanDerWaalsContact C-N 3.31Å; H693-E695 PolarHBondContact O-N 3.29Å; E695-R699 WeakPolarHBondContact OE1-CD 3.27Å; E695-R699 IonicContact OE1-CZ 3.8Å; E695-R699 IonicContact OE1-NE 3.36Å; E695-R699 IonicContact OE1-NH1 3.44Å; E695-R699 PolarHBondContact OE1-NH1 2.98Å; E695-R810 VanDerWaalsContact CD-NE 3.3Å; E695-R810 IonicContact OE1-CZ 2.69Å; E695-R810 IonicContact OE1-NE 3.81Å; E695-R810 PolarHBondContact OE1-NE 3.35Å; E695-R810 IonicContact OE1-NH2 3.53Å; E695-R810 IonicContact OE2-CZ 3.24Å; E695-R810 IonicContact OE2-NE 3.63Å; E695-R810 PolarHBondContact OE2-NE 3.06Å; E695-R810 IonicContact OE2-NH2 2.78Å; E695-R810 PolarHBondContact OE2-NH2 3.23Å; E695-P812 HydrophobicContact CG-CG 4.42Å; E695-F824 HydrophobicContact CB-CB 3.99Å; E695-F824 HydrophobicContact CB-CD1 3.69Å; E695-F824 HydrophobicContact CB-CD2 4.14Å; E695-F824 HydrophobicContact CB-CE1 4.21Å; E695-F824 HydrophobicContact CB-CG 3.66Å; E695-F824 HydrophobicContact CG-CB 3.9Å; E695-F824 HydrophobicContact CG-CD2 4.47Å; E695-F824 HydrophobicContact CG-CG 4.06Å
696	H	95	Very high	92.7	Very high	36 Å²	36	42.4 Å²	42.4	17%	0.167	25%	0.251	C	S	.	.			trans	-127.6	156.9	178.7	77.5	107.3	0	0	0	113.5	A690 P694 G698 R699	A690-H696 HydrophobicContact CB-CB 4.31Å; P694-H696 PolarHBondContact O-CD2 2.97Å; P694-H696 PolarHBondContact O-N 3.33Å; P694-H696 VanDerWaalsContact O-N 3.07Å; H696-G698 PolarHBondContact ND1-N 3.36Å; H696-G698 PolarHBondContact O-N 3.28Å; H696-R699 WeakPolarHBondContact O-CB 3.41Å; H696-R699 WeakPolarHBondContact O-CG 3.45Å; H696-R699 PolarHBondContact O-N 3.49Å
697	A	95.6	Very high	93	Very high	9 Å²	9	37.5 Å²	37.5	7%	0.074	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.7	-20.9	-177.6	0	0	0	0	0	115.8	Q681 R699	Q681-A697 HydrophobicContact CB-CB 3.92Å; Q681-A697 HydrophobicContact CG-CB 4.45Å; Q681-A697 VanDerWaalsContact O-CB 3.28Å; Q681-A697 WeakPolarHBondContact O-CB 3.31Å; A697-R699 VanDerWaalsContact C-N 3.28Å; A697-R699 PolarHBondContact O-N 2.92Å
698	G	96.1	Very high	93.5	Very high	13 Å²	13	40.2 Å²	40.2	13%	0.134	23%	0.234	C	C	.	.	H	α-helix	trans	-66.4	-27.2	177.3	0	0	0	0	0	113.3	H696 Q701 S702	H696-G698 PolarHBondContact ND1-N 3.36Å; H696-G698 PolarHBondContact O-N 3.28Å; G698-Q701 PolarHBondContact O-N 2.87Å; G698-S702 WeakPolarHBondContact O-CB 3.42Å; G698-S702 PolarHBondContact O-N 3.45Å; G698-S702 PolarHBondContact O-OG 3.22Å; G698-S702 VanDerWaalsContact O-OG 3.07Å
699	R	98.3	Very high	94.2	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-54.5	-63.6	-179.3	-65.3	170.5	65.7	-120.9	-5	111.9	E695 H696 A697 Q701 S702 I703 E985 G986 G987 L990 I993	E695-R699 WeakPolarHBondContact OE1-CD 3.27Å; E695-R699 IonicContact OE1-CZ 3.8Å; E695-R699 IonicContact OE1-NE 3.36Å; E695-R699 IonicContact OE1-NH1 3.44Å; E695-R699 PolarHBondContact OE1-NH1 2.98Å; H696-R699 WeakPolarHBondContact O-CB 3.41Å; H696-R699 WeakPolarHBondContact O-CG 3.45Å; H696-R699 PolarHBondContact O-N 3.49Å; A697-R699 VanDerWaalsContact C-N 3.28Å; A697-R699 PolarHBondContact O-N 2.92Å; R699-Q701 VanDerWaalsContact C-N 3.26Å; R699-Q701 PolarHBondContact O-N 3.38Å; R699-S702 PolarHBondContact O-N 3.21Å; R699-I703 WeakPolarHBondContact O-CG1 3.26Å; R699-I703 PolarHBondContact O-N 3.16Å; R699-E985 PolarHBondContact NH1-O 2.77Å; R699-E985 PolarHBondContact NH2-O 3.27Å; R699-G986 PolarHBondContact NH2-O 2.84Å; R699-G987 VanDerWaalsContact CZ-O 3.27Å; R699-G987 PolarHBondContact NE-O 3.46Å; R699-G987 PolarHBondContact NH2-O 2.95Å; R699-L990 HydrophobicContact CG-CD2 4.25Å; R699-I993 HydrophobicContact CB-CD1 3.77Å; R699-I993 HydrophobicContact CG-CD1 3.94Å
700	I	98.4	Very high	94.9	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-65.7	-27.3	177.7	60.7	160.4	0	0	0	113.1	Y676 M680 Q681 W704 V808 V809 R810 L984	Y676-I700 HydrophobicContact CE2-CB 4.16Å; Y676-I700 HydrophobicContact CE2-CD1 3.95Å; Y676-I700 HydrophobicContact CE2-CG1 4.26Å; M680-I700 HydrophobicContact CB-CD1 3.8Å; Q681-I700 HydrophobicContact CG-CD1 3.91Å; Q681-I700 HydrophobicContact CG-CG1 4.29Å; I700-W704 VanDerWaalsContact O-CB 3.27Å; I700-W704 WeakPolarHBondContact O-CB 3.46Å; I700-W704 PolarHBondContact O-N 2.64Å; I700-V808 HydrophobicContact CB-CG1 3.9Å; I700-V808 HydrophobicContact CG2-CG1 3.99Å; I700-V809 WeakPolarHBondContact CG2-O 3.24Å; I700-R810 HydrophobicContact CD1-CG 3.81Å; I700-R810 HydrophobicContact CG1-CG 4.02Å; I700-R810 HydrophobicContact CG2-CB 4.07Å; I700-R810 HydrophobicContact CG2-CG 3.88Å; I700-L984 HydrophobicContact CG2-CD2 3.94Å
701	Q	98.3	Very high	95.7	Very high	98 Å²	98	43.9 Å²	43.9	46%	0.458	24%	0.241	S	C	.	.	H	α-helix	trans	-70	-47.9	179.1	-176.4	178.6	-15.1	0	0	110.9	G698 R699 W704 S705	G698-Q701 PolarHBondContact O-N 2.87Å; R699-Q701 VanDerWaalsContact C-N 3.26Å; R699-Q701 PolarHBondContact O-N 3.38Å; Q701-W704 PolarHBondContact O-N 3.31Å; Q701-S705 WeakPolarHBondContact O-CB 3.47Å; Q701-S705 PolarHBondContact O-N 2.92Å
702	S	98.5	Very high	96.4	Very high	39 Å²	39	38.3 Å²	38.3	27%	0.273	21%	0.206	S	C	.	.	H	α-helix	trans	-64.2	-44.4	178.7	-61.1	0	0	0	0	111.4	G698 R699 W704 S705 R706 C994	G698-S702 WeakPolarHBondContact O-CB 3.42Å; G698-S702 PolarHBondContact O-N 3.45Å; G698-S702 PolarHBondContact O-OG 3.22Å; G698-S702 VanDerWaalsContact O-OG 3.07Å; R699-S702 PolarHBondContact O-N 3.21Å; S702-W704 VanDerWaalsContact C-N 3.35Å; S702-W704 PolarHBondContact O-N 3.34Å; S702-S705 WeakPolarHBondContact O-CB 3.3Å; S702-S705 PolarHBondContact O-N 3.27Å; S702-R706 PolarHBondContact O-N 2.94Å; S702-C994 VanDerWaalsContact CB-SG 3.55Å
703	I	98.8	Very high	97	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-57.5	-48.8	175.1	-67.1	164.6	0	0	0	110.3	R699 S705 R706 L707 V808 L984 I993 C994	R699-I703 WeakPolarHBondContact O-CG1 3.26Å; R699-I703 PolarHBondContact O-N 3.16Å; I703-S705 PolarHBondContact O-N 2.94Å; I703-R706 PolarHBondContact O-N 3.27Å; I703-L707 HydrophobicContact CG2-CD1 3.87Å; I703-L707 HydrophobicContact CG2-CG 4.48Å; I703-L707 VanDerWaalsContact O-CG 3.28Å; I703-L707 WeakPolarHBondContact O-CG 3.41Å; I703-L707 PolarHBondContact O-N 3Å; I703-V808 HydrophobicContact CB-CG1 4.06Å; I703-V808 HydrophobicContact CG2-CG1 3.74Å; I703-V808 HydrophobicContact CG2-CG2 4.02Å; I703-L984 HydrophobicContact CD1-CD1 4.2Å; I703-L984 HydrophobicContact CD1-CD2 3.59Å; I703-I993 HydrophobicContact CD1-CB 4.19Å; I703-I993 HydrophobicContact CD1-CD1 4.02Å; I703-I993 HydrophobicContact CD1-CG1 3.94Å; I703-I993 HydrophobicContact CG1-CD1 4.37Å; I703-I993 HydrophobicContact CG1-CG1 3.99Å; I703-C994 PolarHBondContact N-SG 3.48Å
704	W	98.5	Very high	97.2	Very high	18 Å²	18	41.1 Å²	41.1	7%	0.068	23%	0.229	C	C	.	.	H	α-helix	trans	-64.5	-39.7	179.9	-167.3	-109.4	0	0	0	112.7	L674 Y676 I700 Q701 S702 L707 Q708 R713 V808	L674-W704 HydrophobicContact CB-CZ3 4.17Å; L674-W704 HydrophobicContact CD1-CZ3 4.43Å; Y676-W704 VanDerWaalsContact CB-CZ3 3.49Å; Y676-W704 AromaticContact CD1-CD1 3.91Å; Y676-W704 AromaticContact CD1-CD2 3.58Å; Y676-W704 HydrophobicContact CD1-CD2 3.58Å; Y676-W704 AromaticContact CD1-CE2 3.4Å; Y676-W704 HydrophobicContact CD1-CE3 4.15Å; Y676-W704 AromaticContact CD1-CG 3.85Å; Y676-W704 HydrophobicContact CD1-CG 3.85Å; Y676-W704 HydrophobicContact CD1-CH2 4.33Å; Y676-W704 AromaticContact CD1-CZ2 3.77Å; Y676-W704 HydrophobicContact CD1-CZ2 3.77Å; Y676-W704 AromaticContact CD1-NE1 3.63Å; Y676-W704 HydrophobicContact CD2-CB 4.09Å; Y676-W704 HydrophobicContact CD2-CD2 4.02Å; Y676-W704 HydrophobicContact CD2-CE3 4.14Å; Y676-W704 HydrophobicContact CD2-CG 4.04Å; Y676-W704 HydrophobicContact CE1-CB 4.42Å; Y676-W704 AromaticContact CE1-CD1 3.54Å; Y676-W704 AromaticContact CE1-CD2 4Å; Y676-W704 HydrophobicContact CE1-CD2 4Å; Y676-W704 AromaticContact CE1-CE2 3.86Å; Y676-W704 AromaticContact CE1-CG 3.75Å; Y676-W704 HydrophobicContact CE1-CG 3.75Å; Y676-W704 AromaticContact CE1-NE1 3.58Å; Y676-W704 HydrophobicContact CE2-CB 3.78Å; Y676-W704 HydrophobicContact CE2-CD2 4.39Å; Y676-W704 AromaticContact CE2-CG 3.94Å; Y676-W704 HydrophobicContact CE2-CG 3.94Å; Y676-W704 AromaticContact CG-CD2 3.58Å; Y676-W704 HydrophobicContact CG-CD2 3.58Å; Y676-W704 AromaticContact CG-CE2 3.85Å; Y676-W704 AromaticContact CG-CE3 3.72Å; Y676-W704 HydrophobicContact CG-CE3 3.72Å; Y676-W704 AromaticContact CG-CG 3.98Å; Y676-W704 HydrophobicContact CG-CG 3.98Å; Y676-W704 HydrophobicContact CG-CH2 4.3Å; Y676-W704 HydrophobicContact CG-CZ2 4.17Å; Y676-W704 HydrophobicContact CG-CZ3 4.09Å; Y676-W704 AromaticContact CZ-CD1 3.82Å; Y676-W704 AromaticContact CZ-CG 3.78Å; I700-W704 VanDerWaalsContact O-CB 3.27Å; I700-W704 WeakPolarHBondContact O-CB 3.46Å; I700-W704 PolarHBondContact O-N 2.64Å; Q701-W704 PolarHBondContact O-N 3.31Å; S702-W704 VanDerWaalsContact C-N 3.35Å; S702-W704 PolarHBondContact O-N 3.34Å; W704-L707 PolarHBondContact O-N 2.92Å; W704-Q708 WeakPolarHBondContact O-CG 3.33Å; W704-Q708 PolarHBondContact O-N 3.44Å; W704-Q708 VanDerWaalsContact O-N 3.12Å; W704-R713 HydrophobicContact CH2-CG 4.26Å; W704-V808 HydrophobicContact CE3-CG2 4.41Å
705	S	98.5	Very high	97.5	Very high	45 Å²	45	43.8 Å²	43.8	32%	0.315	24%	0.238	S	C	.	.	H	α-helix	trans	-58.3	-50.4	171.7	-101.3	0	0	0	0	111.8	Q701 S702 I703 L707 Q708 E709	Q701-S705 WeakPolarHBondContact O-CB 3.47Å; Q701-S705 PolarHBondContact O-N 2.92Å; S702-S705 WeakPolarHBondContact O-CB 3.3Å; S702-S705 PolarHBondContact O-N 3.27Å; I703-S705 PolarHBondContact O-N 2.94Å; S705-L707 VanDerWaalsContact C-N 3.33Å; S705-L707 PolarHBondContact O-N 3.43Å; S705-Q708 WeakPolarHBondContact O-CA 3.17Å; S705-Q708 WeakPolarHBondContact O-CB 3.43Å; S705-Q708 PolarHBondContact O-N 3.3Å; S705-E709 WeakPolarHBondContact O-CG 3.13Å; S705-E709 PolarHBondContact O-N 3.11Å
706	R	98.6	Very high	97.6	Very high	59 Å²	59	44.2 Å²	44.2	22%	0.223	24%	0.242	C	C	.	.	H	α-helix	trans	-55.6	-48.5	178.3	-178.4	68.6	76.6	76.7	3.9	111.4	S702 I703 Q708 E709 T710 C994 D995 E998	S702-R706 PolarHBondContact O-N 2.94Å; I703-R706 PolarHBondContact O-N 3.27Å; R706-Q708 PolarHBondContact O-N 3.49Å; R706-E709 PolarHBondContact O-N 2.72Å; R706-E709 VanDerWaalsContact O-N 3.08Å; R706-T710 HydrophobicContact CG-CG2 4.15Å; R706-T710 WeakPolarHBondContact O-CG2 3.5Å; R706-T710 PolarHBondContact O-N 3.09Å; R706-T710 PolarHBondContact O-OG1 2.83Å; R706-T710 VanDerWaalsContact O-OG1 3.05Å; R706-C994 HydrophobicContact CB-CB 4.21Å; R706-C994 HydrophobicContact CG-CB 4.31Å; R706-D995 IonicContact CZ-OD1 3.85Å; R706-D995 IonicContact NH1-OD1 3.5Å; R706-D995 PolarHBondContact NH1-OD1 3.27Å; R706-D995 IonicContact NH2-OD1 3.54Å; R706-D995 PolarHBondContact NH2-OD1 3.38Å; R706-E998 WeakPolarHBondContact CD-OE2 3.36Å; R706-E998 HydrophobicContact CG-CB 4.44Å; R706-E998 VanDerWaalsContact CG-OE2 3.22Å; R706-E998 WeakPolarHBondContact CG-OE2 3.32Å; R706-E998 IonicContact CZ-OE2 3.98Å; R706-E998 IonicContact NE-OE2 3.94Å; R706-E998 IonicContact NH1-OE2 3.58Å; R706-E998 PolarHBondContact NH1-OE2 2.95Å
707	L	98.3	Very high	97.7	Very high	1 Å²	1	44.5 Å²	44.5	1%	0.005	24%	0.243	C	C	.	.	H	α-helix	trans	-65.2	-23.2	179.9	-63.7	169.8	0	0	0	113.5	I703 W704 S705 L712 R713 V808 I1001	I703-L707 HydrophobicContact CG2-CD1 3.87Å; I703-L707 HydrophobicContact CG2-CG 4.48Å; I703-L707 VanDerWaalsContact O-CG 3.28Å; I703-L707 WeakPolarHBondContact O-CG 3.41Å; I703-L707 PolarHBondContact O-N 3Å; W704-L707 PolarHBondContact O-N 2.92Å; S705-L707 VanDerWaalsContact C-N 3.33Å; S705-L707 PolarHBondContact O-N 3.43Å; L707-L712 HydrophobicContact CD2-CB 4.19Å; L707-L712 HydrophobicContact CD2-CD1 4.04Å; L707-L712 PolarHBondContact O-N 3.25Å; L707-R713 HydrophobicContact CB-CB 4.37Å; L707-R713 WeakPolarHBondContact O-CB 3.42Å; L707-R713 PolarHBondContact O-N 2.82Å; L707-V808 HydrophobicContact CD1-CG2 4.23Å; L707-I1001 HydrophobicContact CD1-CD1 3.45Å; L707-I1001 VanDerWaalsContact CD1-CD1 3.45Å; L707-I1001 HydrophobicContact CD2-CB 4.24Å; L707-I1001 HydrophobicContact CD2-CD1 3.57Å; L707-I1001 HydrophobicContact CD2-CG1 4.5Å; L707-I1001 HydrophobicContact CD2-CG2 4.26Å; L707-I1001 HydrophobicContact CG-CD1 4.15Å
708	Q	97.8	Very high	97.8	Very high	99 Å²	99	47.2 Å²	47.2	46%	0.463	26%	0.261	S	S	.	.	H	α-helix	trans	-78.5	-42.5	169.7	-70.4	-176.5	-103.6	0	0	112	W704 S705 R706 G711	W704-Q708 WeakPolarHBondContact O-CG 3.33Å; W704-Q708 PolarHBondContact O-N 3.44Å; W704-Q708 VanDerWaalsContact O-N 3.12Å; S705-Q708 WeakPolarHBondContact O-CA 3.17Å; S705-Q708 WeakPolarHBondContact O-CB 3.43Å; S705-Q708 PolarHBondContact O-N 3.3Å; R706-Q708 PolarHBondContact O-N 3.49Å; Q708-G711 PolarHBondContact O-N 2.78Å
709	E	97.9	Very high	97.9	Very high	147 Å²	147	47.2 Å²	47.2	69%	0.687	26%	0.258	S	S	*	.	H	α-helix	trans	-70.4	-38.4	-176.2	-72.2	160.7	-154.8	0	0	112.5	S705 R706 G711	S705-E709 WeakPolarHBondContact O-CG 3.13Å; S705-E709 PolarHBondContact O-N 3.11Å; R706-E709 PolarHBondContact O-N 2.72Å; R706-E709 VanDerWaalsContact O-N 3.08Å; E709-G711 VanDerWaalsContact C-N 3.26Å; E709-G711 PolarHBondContact O-N 3.36Å
710	T	97.6	Very high	97.8	Very high	54 Å²	54	57.5 Å²	57.5	33%	0.331	30%	0.297	S	S	.	.	S	Bend	trans	-81.4	-5.2	175.6	63.5	0	0	0	0	113.1	R706 L712 E998	R706-T710 HydrophobicContact CG-CG2 4.15Å; R706-T710 WeakPolarHBondContact O-CG2 3.5Å; R706-T710 PolarHBondContact O-N 3.09Å; R706-T710 PolarHBondContact O-OG1 2.83Å; R706-T710 VanDerWaalsContact O-OG1 3.05Å; T710-L712 PolarHBondContact O-N 3.22Å; T710-E998 WeakPolarHBondContact CG2-OE1 3.48Å
711	G	97.6	Very high	97.7	Very high	27 Å²	27	57.9 Å²	57.9	28%	0.278	30%	0.301	S	S	.	.	S	Bend	trans	73.2	-2.2	-179.8	0	0	0	0	0	115.4	Q708 E709 R713 A714	Q708-G711 PolarHBondContact O-N 2.78Å; E709-G711 VanDerWaalsContact C-N 3.26Å; E709-G711 PolarHBondContact O-N 3.36Å; G711-R713 PolarHBondContact O-N 2.85Å; G711-A714 WeakPolarHBondContact O-CB 3.33Å; G711-A714 PolarHBondContact O-N 2.77Å
712	L	97.4	Very high	97.7	Very high	12 Å²	12	56.8 Å²	56.8	6%	0.063	29%	0.292	C	S	.	.	G	3₁₀ helix	trans	-56	-37.9	178.4	-67.9	-177.8	0	0	0	112.1	L707 T710 A714 Q715 C716 E998 I1001 L1005	L707-L712 HydrophobicContact CD2-CB 4.19Å; L707-L712 HydrophobicContact CD2-CD1 4.04Å; L707-L712 PolarHBondContact O-N 3.25Å; T710-L712 PolarHBondContact O-N 3.22Å; L712-A714 PolarHBondContact O-N 2.8Å; L712-Q715 WeakPolarHBondContact O-CB 3.37Å; L712-Q715 PolarHBondContact O-N 2.89Å; L712-C716 PolarHBondContact O-N 2.75Å; L712-C716 PolarHBondContact O-SG 3.2Å; L712-E998 HydrophobicContact CD1-CB 4.48Å; L712-E998 HydrophobicContact CD1-CG 3.71Å; L712-I1001 HydrophobicContact CB-CG2 4.25Å; L712-I1001 HydrophobicContact CD1-CG2 4.26Å; L712-L1005 HydrophobicContact CD2-CD1 3.9Å
713	R	97.2	Very high	97.7	Very high	79 Å²	79	59.4 Å²	59.4	30%	0.298	30%	0.299	S	S	.	.	G	3₁₀ helix	trans	-57.2	-33.9	175.3	-173.4	-168.1	165.4	-169.6	-4.3	112.5	L674 W704 L707 G711 Q715 C716 C718	L674-R713 HydrophobicContact CD1-CB 4.32Å; L674-R713 HydrophobicContact CD1-CG 4.27Å; W704-R713 HydrophobicContact CH2-CG 4.26Å; L707-R713 HydrophobicContact CB-CB 4.37Å; L707-R713 WeakPolarHBondContact O-CB 3.42Å; L707-R713 PolarHBondContact O-N 2.82Å; G711-R713 PolarHBondContact O-N 2.85Å; R713-Q715 PolarHBondContact O-N 3.21Å; R713-C716 PolarHBondContact O-N 2.8Å; R713-C718 PolarHBondContact NH2-SG 2.91Å; R713-C718 VanDerWaalsContact NH2-SG 3.44Å
714	A	96.4	Very high	97.7	Very high	86 Å²	86	59.5 Å²	59.5	71%	0.711	30%	0.299	S	S	*	.	G	3₁₀ helix	trans	-75.9	-11.3	-179.5	0	0	0	0	0	113.6	G711 L712	G711-A714 WeakPolarHBondContact O-CB 3.33Å; G711-A714 PolarHBondContact O-N 2.77Å; L712-A714 PolarHBondContact O-N 2.8Å
715	Q	97.1	Very high	97.7	Very high	91 Å²	91	60.4 Å²	60.4	43%	0.425	31%	0.308	S	S	.	.	G	3₁₀ helix	trans	-93.5	-16	174.9	-52.2	-177.7	42.7	0	0	112.1	T671 L712 R713 L1005	T671-Q715 PolarHBondContact OG1-O 3.4Å; L712-Q715 WeakPolarHBondContact O-CB 3.37Å; L712-Q715 PolarHBondContact O-N 2.89Å; R713-Q715 PolarHBondContact O-N 3.21Å; Q715-L1005 HydrophobicContact CB-CD1 3.99Å; Q715-L1005 HydrophobicContact CB-CD2 3.88Å
716	C	97.9	Very high	97.6	Very high	16 Å²	16	62 Å²	62	11%	0.108	31%	0.311	C	S	.	.	S	Bend	trans	-98.7	156.7	-178.2	-58.5	0	0	0	0	112.4	T672 L674 L712 R713	T672-C716 CarbonylContact O-C 3.59Å; T672-C716 WeakPolarHBondContact O-CA 3.41Å; T672-C716 VanDerWaalsContact O-CB 3.24Å; T672-C716 WeakPolarHBondContact O-CB 3.38Å; L674-C716 HydrophobicContact CB-CB 4.45Å; L674-C716 HydrophobicContact CD1-CB 3.67Å; L674-C716 HydrophobicContact CG-CB 3.63Å; L712-C716 PolarHBondContact O-N 2.75Å; L712-C716 PolarHBondContact O-SG 3.2Å; R713-C716 PolarHBondContact O-N 2.8Å
717	E	97.8	Very high	97.6	Very high	41 Å²	41	65.5 Å²	65.5	19%	0.192	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	124.9	168.4	-73	-72.5	168.2	0	0	110	H668 R669 T671 T672 G673 L674 I719 L802	H668-E717 IonicContact ND1-OE2 3.5Å; R669-E717 HydrophobicContact CB-CG 4.3Å; R669-E717 VanDerWaalsContact CB-OE1 3.32Å; R669-E717 WeakPolarHBondContact CB-OE1 3.33Å; R669-E717 WeakPolarHBondContact CG-OE1 3.24Å; R669-E717 PolarHBondContact N-OE1 2.7Å; T671-E717 HydrophobicContact CG2-CB 4.46Å; T671-E717 HydrophobicContact CG2-CG 3.73Å; T672-E717 PolarHBondContact O-N 3.22Å; G673-E717 CarbonylContact C-O 3.52Å; G673-E717 WeakPolarHBondContact CA-O 3.46Å; L674-E717 PolarHBondContact N-O 2.96Å; E717-I719 HydrophobicContact CB-CD1 4.39Å; E717-I719 PolarHBondContact O-N 3.48Å; E717-L802 HydrophobicContact CB-CD2 3.84Å; E717-L802 HydrophobicContact CG-CD2 4.18Å
718	C	97.2	Very high	97.6	Very high	66 Å²	66	65.7 Å²	65.7	45%	0.446	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	98.3	-176.2	-166.5	0	0	0	0	110.3	R713	R713-C718 PolarHBondContact NH2-SG 2.91Å; R713-C718 VanDerWaalsContact NH2-SG 3.44Å
719	I	97.3	Very high	97.6	Very high	13 Å²	13	61 Å²	61	7%	0.067	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	141.7	-179	-53.6	-51.5	0	0	0	110.2	L674 V675 E717 E792 L793 K796 L802	L674-I719 PolarHBondContact O-N 3.44Å; V675-I719 HydrophobicContact CB-CB 4.17Å; V675-I719 HydrophobicContact CB-CG2 4.5Å; V675-I719 HydrophobicContact CG2-CB 4.38Å; V675-I719 HydrophobicContact CG2-CG2 4.35Å; E717-I719 HydrophobicContact CB-CD1 4.39Å; E717-I719 PolarHBondContact O-N 3.48Å; I719-E792 HydrophobicContact CG2-CB 4.38Å; I719-L793 HydrophobicContact CG1-CD1 4.07Å; I719-K796 HydrophobicContact CD1-CD 3.98Å; I719-K796 HydrophobicContact CG2-CD 4.23Å; I719-L802 HydrophobicContact CD1-CD1 3.99Å; I719-L802 HydrophobicContact CD1-CD2 4.41Å; I719-L802 HydrophobicContact CG1-CD1 3.95Å
720	R	96.7	Very high	97.6	Very high	217 Å²	217	57.6 Å²	57.6	82%	0.819	29%	0.293	S	S	*	.	P	Polyproline II helix	trans	-94	116.5	178.1	-176.6	178.7	-176.4	172.8	3	110
721	G	96.4	Very high	97.7	Very high	8 Å²	8	56.1 Å²	56.1	8%	0.082	28%	0.284	C	S	.	.	P	Polyproline II helix	trans	-66.3	160.8	173.5	0	0	0	0	0	113.5	S789	G721-S789 WeakPolarHBondContact CA-OG 3.47Å
722	R	98.1	Very high	97.8	Very high	75 Å²	75	55.8 Å²	55.8	28%	0.283	28%	0.276	S	S	.	.			trans	-136.7	172.2	171.1	65.8	174.1	175.4	84.2	-2.3	110.5	E728 L785 G788 E792	R722-E728 IonicContact CZ-OE1 3.68Å; R722-E728 IonicContact CZ-OE2 2.6Å; R722-E728 IonicContact NH1-OE1 3.76Å; R722-E728 PolarHBondContact NH1-OE1 2.98Å; R722-E728 IonicContact NH1-OE2 3.98Å; R722-E728 PolarHBondContact NH1-OE2 2.8Å; R722-E728 IonicContact NH2-OE1 3.71Å; R722-E728 PolarHBondContact NH2-OE1 3.28Å; R722-E728 IonicContact NH2-OE2 3.86Å; R722-L785 VanDerWaalsContact C-CD1 3.48Å; R722-L785 WeakPolarHBondContact O-CD1 3.46Å; R722-G788 CarbonylContact O-C 3.6Å; R722-G788 WeakPolarHBondContact O-CA 3.48Å; R722-E792 HydrophobicContact CG-CG 3.81Å; R722-E792 IonicContact CZ-OE1 3.86Å; R722-E792 IonicContact NE-OE1 3.4Å; R722-E792 PolarHBondContact NE-OE1 3.33Å; R722-E792 IonicContact NH2-OE1 3.64Å
723	K	98.5	Very high	97.8	Very high	94 Å²	94	55.4 Å²	55.4	41%	0.409	27%	0.274	S	S	.	.	P	Polyproline II helix	trans	-78.3	137.8	166.4	-57.7	-171.3	-169.9	-172.6	0	109.8	T781 R784 L785	K723-T781 VanDerWaalsContact NZ-CG2 3.34Å; K723-T781 PolarHBondContact NZ-OG1 2.95Å; K723-R784 CarbonylContact C-O 3.52Å; K723-R784 WeakPolarHBondContact CA-O 3.45Å; K723-R784 HydrophobicContact CB-CB 4.23Å; K723-L785 HydrophobicContact CG-CB 4.46Å
724	A	98.6	Very high	97.9	Very high	1 Å²	1	52.6 Å²	52.6	1%	0.008	27%	0.266	C	S	.	.	P	Polyproline II helix	trans	-61	146.4	165.1	0	0	0	0	0	110.6	E728 L729 R784 V787	A724-E728 VanDerWaalsContact CA-OE2 3.27Å; A724-E728 WeakPolarHBondContact CA-OE2 3.33Å; A724-E728 HydrophobicContact CB-CB 4.26Å; A724-L729 HydrophobicContact CB-CD2 3.97Å; A724-L729 HydrophobicContact CB-CG 4.11Å; A724-R784 PolarHBondContact N-O 3.33Å; A724-R784 VanDerWaalsContact O-CZ 3.28Å; A724-R784 PolarHBondContact O-NE 2.94Å; A724-R784 PolarHBondContact O-NH2 3.01Å; A724-V787 HydrophobicContact CB-CB 4.02Å; A724-V787 HydrophobicContact CB-CG1 3.74Å
725	S	98.1	Very high	97.9	Very high	38 Å²	38	53.6 Å²	53.6	27%	0.266	26%	0.256	S	S	.	.	P	Polyproline II helix	trans	-70.8	171.7	169	79.9	0	0	0	0	110.8	E727 E728 L729	S725-E727 PolarHBondContact OG-N 2.88Å; S725-E728 PolarHBondContact N-OE2 3.11Å; S725-E728 WeakPolarHBondContact OG-CG 3.45Å; S725-E728 PolarHBondContact OG-N 3.02Å; S725-L729 WeakPolarHBondContact O-CD1 3.43Å; S725-L729 VanDerWaalsContact O-CG 3.26Å; S725-L729 WeakPolarHBondContact O-CG 3.49Å; S725-L729 PolarHBondContact O-N 3.14Å
726	Q	96.8	Very high	97.7	Very high	78 Å²	78	53.7 Å²	53.7	36%	0.364	27%	0.265	S	S	.	.	H	α-helix	trans	-70.6	-41.9	173.8	-73.2	174.4	-89.6	0	0	111.2	E728 L729 Q730 V738	Q726-E728 VanDerWaalsContact C-N 3.3Å; Q726-E728 PolarHBondContact O-N 2.86Å; Q726-L729 PolarHBondContact O-N 2.93Å; Q726-L729 VanDerWaalsContact O-N 3.12Å; Q726-Q730 WeakPolarHBondContact O-CB 3.39Å; Q726-Q730 VanDerWaalsContact O-CG 3.28Å; Q726-Q730 WeakPolarHBondContact O-CG 3.44Å; Q726-Q730 PolarHBondContact O-N 2.65Å; Q726-V738 HydrophobicContact CB-CG1 3.93Å; Q726-V738 HydrophobicContact CG-CG1 3.98Å
727	E	98	Very high	97.6	Very high	133 Å²	133	53.1 Å²	53.1	62%	0.621	26%	0.261	S	S	*	.	H	α-helix	trans	-52.4	-43.2	170.9	172.5	-165.9	-153.2	0	0	112.5	S725 Q730 T731	S725-E727 PolarHBondContact OG-N 2.88Å; E727-Q730 PolarHBondContact O-N 3.27Å; E727-T731 PolarHBondContact O-N 3.37Å
728	E	98.7	Very high	97.6	Very high	5 Å²	5	51.1 Å²	51.1	2%	0.023	25%	0.251	C	S	.	.	H	α-helix	trans	-64.3	-41.9	177.2	-74.8	173.8	150.7	0	0	111.9	R722 A724 S725 Q726 Q730 T731 I832 L836 R840	R722-E728 IonicContact CZ-OE1 3.68Å; R722-E728 IonicContact CZ-OE2 2.6Å; R722-E728 IonicContact NH1-OE1 3.76Å; R722-E728 PolarHBondContact NH1-OE1 2.98Å; R722-E728 IonicContact NH1-OE2 3.98Å; R722-E728 PolarHBondContact NH1-OE2 2.8Å; R722-E728 IonicContact NH2-OE1 3.71Å; R722-E728 PolarHBondContact NH2-OE1 3.28Å; R722-E728 IonicContact NH2-OE2 3.86Å; A724-E728 VanDerWaalsContact CA-OE2 3.27Å; A724-E728 WeakPolarHBondContact CA-OE2 3.33Å; A724-E728 HydrophobicContact CB-CB 4.26Å; S725-E728 PolarHBondContact N-OE2 3.11Å; S725-E728 WeakPolarHBondContact OG-CG 3.45Å; S725-E728 PolarHBondContact OG-N 3.02Å; Q726-E728 VanDerWaalsContact C-N 3.3Å; Q726-E728 PolarHBondContact O-N 2.86Å; E728-Q730 VanDerWaalsContact C-N 3.31Å; E728-Q730 PolarHBondContact O-N 2.65Å; E728-T731 WeakPolarHBondContact O-CB 3.33Å; E728-T731 WeakPolarHBondContact O-CG2 3.3Å; E728-T731 PolarHBondContact O-N 3.41Å; E728-T731 PolarHBondContact O-OG1 3.11Å; E728-I832 VanDerWaalsContact O-CG2 3.3Å; E728-I832 WeakPolarHBondContact O-CG2 3.47Å; E728-L836 HydrophobicContact CB-CD1 4.03Å; E728-L836 HydrophobicContact CG-CD1 3.78Å; E728-L836 HydrophobicContact CG-CD2 4.09Å; E728-R840 VanDerWaalsContact CG-NH2 3.33Å; E728-R840 IonicContact OE1-CZ 3.63Å; E728-R840 IonicContact OE1-NH1 2.84Å; E728-R840 PolarHBondContact OE1-NH1 3.49Å; E728-R840 IonicContact OE1-NH2 3.88Å; E728-R840 PolarHBondContact OE1-NH2 3.31Å
729	L	98.8	Very high	97.4	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-68.1	-34.2	176.2	-56.8	159.8	0	0	0	111.3	A724 S725 Q726 T731 V732 H733 V738 R784 V787 F827 I832	A724-L729 HydrophobicContact CB-CD2 3.97Å; A724-L729 HydrophobicContact CB-CG 4.11Å; S725-L729 WeakPolarHBondContact O-CD1 3.43Å; S725-L729 VanDerWaalsContact O-CG 3.26Å; S725-L729 WeakPolarHBondContact O-CG 3.49Å; S725-L729 PolarHBondContact O-N 3.14Å; Q726-L729 PolarHBondContact O-N 2.93Å; Q726-L729 VanDerWaalsContact O-N 3.12Å; L729-T731 PolarHBondContact O-N 3.27Å; L729-V732 PolarHBondContact O-N 3.04Å; L729-H733 PolarHBondContact O-N 3.47Å; L729-V738 HydrophobicContact CB-CB 4.41Å; L729-V738 HydrophobicContact CB-CG1 3.86Å; L729-V738 HydrophobicContact CB-CG2 3.62Å; L729-V738 HydrophobicContact CD1-CG1 3.91Å; L729-R784 HydrophobicContact CD1-CG 3.82Å; L729-V787 HydrophobicContact CD2-CB 4.31Å; L729-V787 HydrophobicContact CD2-CG1 4.17Å; L729-V787 HydrophobicContact CD2-CG2 4.02Å; L729-F827 HydrophobicContact CB-CE1 4.46Å; L729-F827 HydrophobicContact CD1-CE1 4.44Å; L729-F827 HydrophobicContact CD1-CE2 4.3Å; L729-F827 HydrophobicContact CD1-CZ 4.15Å; L729-F827 HydrophobicContact CD2-CB 4.05Å; L729-F827 HydrophobicContact CD2-CD1 3.92Å; L729-F827 HydrophobicContact CD2-CD2 3.83Å; L729-F827 HydrophobicContact CD2-CE1 4.29Å; L729-F827 HydrophobicContact CD2-CE2 4.22Å; L729-F827 HydrophobicContact CD2-CG 3.68Å; L729-F827 HydrophobicContact CD2-CZ 4.42Å; L729-I832 HydrophobicContact CD2-CD1 4.04Å
730	Q	98.6	Very high	97.1	Very high	76 Å²	76	52.1 Å²	52.1	36%	0.355	25%	0.25	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-2.2	177.3	-75	167.6	-29.2	0	0	114.1	Q726 E727 E728 V732 H733 V738	Q726-Q730 WeakPolarHBondContact O-CB 3.39Å; Q726-Q730 VanDerWaalsContact O-CG 3.28Å; Q726-Q730 WeakPolarHBondContact O-CG 3.44Å; Q726-Q730 PolarHBondContact O-N 2.65Å; E727-Q730 PolarHBondContact O-N 3.27Å; E728-Q730 VanDerWaalsContact C-N 3.31Å; E728-Q730 PolarHBondContact O-N 2.65Å; Q730-V732 VanDerWaalsContact C-N 3.28Å; Q730-H733 WeakPolarHBondContact CA-O 3.38Å; Q730-V738 HydrophobicContact CG-CB 4.15Å; Q730-V738 HydrophobicContact CG-CG1 4.16Å; Q730-V738 HydrophobicContact CG-CG2 3.99Å
731	T	98.8	Very high	97	Very high	23 Å²	23	41.8 Å²	41.8	14%	0.141	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.9	-17.8	170.7	63.7	0	0	0	0	113.7	E727 E728 L729 L836 Q839	E727-T731 PolarHBondContact O-N 3.37Å; E728-T731 WeakPolarHBondContact O-CB 3.33Å; E728-T731 WeakPolarHBondContact O-CG2 3.3Å; E728-T731 PolarHBondContact O-N 3.41Å; E728-T731 PolarHBondContact O-OG1 3.11Å; L729-T731 PolarHBondContact O-N 3.27Å; T731-L836 HydrophobicContact CG2-CD2 3.8Å; T731-L836 HydrophobicContact CG2-CG 4.34Å; T731-Q839 VanDerWaalsContact CG2-OE1 3.29Å
732	V	98.8	Very high	96.8	Very high	19 Å²	19	41.4 Å²	41.4	12%	0.115	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-129.5	-32.2	179	176.2	0	0	0	0	112.3	L729 Q730 N828 A831 I832 K835 A862	L729-V732 PolarHBondContact O-N 3.04Å; Q730-V732 VanDerWaalsContact C-N 3.28Å; V732-N828 HydrophobicContact CG1-CB 4.4Å; V732-A831 HydrophobicContact CG1-CB 4.28Å; V732-A831 HydrophobicContact CG2-CB 3.87Å; V732-I832 HydrophobicContact CB-CG1 3.87Å; V732-I832 HydrophobicContact CG2-CB 4.41Å; V732-I832 HydrophobicContact CG2-CG1 3.67Å; V732-K835 HydrophobicContact CG2-CG 3.7Å; V732-A862 HydrophobicContact CG1-CB 4.05Å
733	H	98.8	Very high	96.3	Very high	4 Å²	4	39 Å²	39	2%	0.019	20%	0.2	C	C	.	.	S	Bend	trans	-112.6	149.1	-173	-55.6	-79.8	0	0	0	113.4	L729 Q730 H737 V738 A816 E817 E818 F827 N828	L729-H733 PolarHBondContact O-N 3.47Å; Q730-H733 WeakPolarHBondContact CA-O 3.38Å; H733-H737 AromaticContact CG-CD2 3.76Å; H733-H737 AromaticContact ND1-CD2 3.78Å; H733-H737 AromaticContact ND1-NE2 3.77Å; H733-V738 HydrophobicContact CB-CG2 3.79Å; H733-A816 PolarHBondContact CE1-O 3.38Å; H733-E817 PolarHBondContact CE1-O 2.8Å; H733-E817 PolarHBondContact ND1-O 2.89Å; H733-E818 CarbonylContact C-O 3.55Å; H733-E818 WeakPolarHBondContact CA-O 3.37Å; H733-E818 VanDerWaalsContact CB-O 3.31Å; H733-E818 WeakPolarHBondContact CB-O 3.25Å; H733-F827 AromaticContact CD2-CD1 3.7Å; H733-F827 WeakPolarHBondContact NE2-CA 3.37Å; H733-N828 PolarHBondContact NE2-N 3.33Å
734	S	98.2	Very high	95.1	Very high	20 Å²	20	36.6 Å²	36.6	14%	0.14	19%	0.192	C	C	.	.			trans	-64.3	152.2	179	71.9	0	0	0	0	112.1	H737 V738 E818 S819	S734-H737 PolarHBondContact O-N 3.23Å; S734-V738 WeakPolarHBondContact O-CG2 3.15Å; S734-V738 PolarHBondContact O-N 2.99Å; S734-E818 PolarHBondContact N-O 3.39Å; S734-S819 VanDerWaalsContact CB-OG 3.25Å; S734-S819 WeakPolarHBondContact CB-OG 3.43Å; S734-S819 PolarHBondContact OG-OG 3.38Å
735	E	96.2	Very high	93.2	Very high	107 Å²	107	39.1 Å²	39.1	50%	0.5	21%	0.208	S	C	.	.	H	α-helix	trans	-55.1	-44.4	178.5	174.1	166	-156.8	0	0	113.5	H737 V738 Q739	E735-H737 VanDerWaalsContact C-N 3.34Å; E735-H737 PolarHBondContact O-N 3.02Å; E735-V738 CarbonylContact O-C 3.36Å; E735-V738 PolarHBondContact O-N 3.19Å; E735-Q739 HydrophobicContact CG-CG 4Å; E735-Q739 WeakPolarHBondContact O-CB 3.31Å; E735-Q739 WeakPolarHBondContact O-CG 3.4Å; E735-Q739 PolarHBondContact O-N 3.34Å; E735-Q739 PolarHBondContact OE1-NE2 3.5Å
736	P	94.7	Very high	91.3	Very high	93 Å²	93	44.5 Å²	44.5	60%	0.604	23%	0.233	S	C	*	.	H	α-helix	trans	-57.3	-42.6	176.4	-26.9	36.5	0	0	0	113.6	Q739 L740	P736-Q739 PolarHBondContact O-N 2.92Å; P736-L740 WeakPolarHBondContact O-CB 3.25Å; P736-L740 PolarHBondContact O-N 2.79Å
737	H	95.7	Very high	89.1	Confident	4 Å²	4	51.8 Å²	51.8	2%	0.019	26%	0.258	C	S	.	.	H	α-helix	trans	-63.5	-44.3	176.7	-176	87.9	0	0	0	111.4	H733 S734 E735 L740 Y741 Y826 F827	H733-H737 AromaticContact CG-CD2 3.76Å; H733-H737 AromaticContact ND1-CD2 3.78Å; H733-H737 AromaticContact ND1-NE2 3.77Å; S734-H737 PolarHBondContact O-N 3.23Å; E735-H737 VanDerWaalsContact C-N 3.34Å; E735-H737 PolarHBondContact O-N 3.02Å; H737-L740 PolarHBondContact O-N 3.39Å; H737-Y741 AromaticContact CE1-CD2 3.52Å; H737-Y741 AromaticContact CE1-CE2 3.69Å; H737-Y741 AromaticContact CG-CD2 3.88Å; H737-Y741 AromaticContact ND1-CD2 3.44Å; H737-Y741 WeakPolarHBondContact ND1-CD2 3.38Å; H737-Y741 AromaticContact ND1-CE2 3.41Å; H737-Y741 WeakPolarHBondContact ND1-CE2 3.37Å; H737-Y741 AromaticContact NE2-CD2 3.94Å; H737-Y741 WeakPolarHBondContact O-CD2 3.43Å; H737-Y741 PolarHBondContact O-N 3.18Å; H737-Y826 PolarHBondContact NE2-O 3.33Å; H737-F827 AromaticContact CD2-CD1 3.94Å; H737-F827 AromaticContact CD2-CE1 3.58Å; H737-F827 AromaticContact NE2-CD1 3.89Å; H737-F827 AromaticContact NE2-CE1 3.84Å
738	V	96.8	Very high	86.8	Confident	0 Å²	0	48.6 Å²	48.6	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-68.6	-31.9	176.6	175.6	0	0	0	0	112.7	Q726 L729 Q730 H733 S734 E735 G742 F827	Q726-V738 HydrophobicContact CB-CG1 3.93Å; Q726-V738 HydrophobicContact CG-CG1 3.98Å; L729-V738 HydrophobicContact CB-CB 4.41Å; L729-V738 HydrophobicContact CB-CG1 3.86Å; L729-V738 HydrophobicContact CB-CG2 3.62Å; L729-V738 HydrophobicContact CD1-CG1 3.91Å; Q730-V738 HydrophobicContact CG-CB 4.15Å; Q730-V738 HydrophobicContact CG-CG1 4.16Å; Q730-V738 HydrophobicContact CG-CG2 3.99Å; H733-V738 HydrophobicContact CB-CG2 3.79Å; S734-V738 WeakPolarHBondContact O-CG2 3.15Å; S734-V738 PolarHBondContact O-N 2.99Å; E735-V738 CarbonylContact O-C 3.36Å; E735-V738 PolarHBondContact O-N 3.19Å; V738-G742 CarbonylContact O-C 3.57Å; V738-G742 WeakPolarHBondContact O-CA 3.32Å; V738-G742 PolarHBondContact O-N 3.48Å; V738-F827 HydrophobicContact CG2-CE1 4.11Å
739	Q	92.4	Very high	84	Confident	71 Å²	71	56.8 Å²	56.8	33%	0.332	28%	0.278	S	S	.	.	H	α-helix	trans	-69.3	-47.6	171.9	-72.7	-170.8	20.1	0	0	111.1	E735 P736 T743	E735-Q739 HydrophobicContact CG-CG 4Å; E735-Q739 WeakPolarHBondContact O-CB 3.31Å; E735-Q739 WeakPolarHBondContact O-CG 3.4Å; E735-Q739 PolarHBondContact O-N 3.34Å; E735-Q739 PolarHBondContact OE1-NE2 3.5Å; P736-Q739 PolarHBondContact O-N 2.92Å; Q739-T743 WeakPolarHBondContact O-CB 3.39Å; Q739-T743 VanDerWaalsContact O-CG2 3.29Å; Q739-T743 WeakPolarHBondContact O-CG2 3.29Å; Q739-T743 PolarHBondContact O-N 3.26Å; Q739-T743 PolarHBondContact O-OG1 2.87Å
740	L	91.6	Very high	81.4	Confident	28 Å²	28	61.5 Å²	61.5	15%	0.147	30%	0.303	C	S	.	.	H	α-helix	trans	-66	-54.2	-175.7	-178.7	56.9	0	0	0	112.8	P736 H737 N755 M757 F758	P736-L740 WeakPolarHBondContact O-CB 3.25Å; P736-L740 PolarHBondContact O-N 2.79Å; H737-L740 PolarHBondContact O-N 3.39Å; L740-N755 WeakPolarHBondContact CD1-ND2 3.41Å; L740-M757 HydrophobicContact CD2-CE 3.43Å; L740-M757 VanDerWaalsContact CD2-CE 3.43Å; L740-F758 HydrophobicContact CD1-CE2 3.84Å; L740-F758 HydrophobicContact CD1-CZ 4.21Å; L740-F758 HydrophobicContact CG-CZ 4.46Å
741	Y	94.4	Very high	78.4	Confident	1 Å²	1	63.9 Å²	63.9	0%	0.004	32%	0.318	C	S	.	.	H	α-helix	trans	-92	-22.5	-176.2	-54.7	-64.2	0	0	0	112.6	H737 M757 F758 V768 W774 S780 P821 Y826	H737-Y741 AromaticContact CE1-CD2 3.52Å; H737-Y741 AromaticContact CE1-CE2 3.69Å; H737-Y741 AromaticContact CG-CD2 3.88Å; H737-Y741 AromaticContact ND1-CD2 3.44Å; H737-Y741 WeakPolarHBondContact ND1-CD2 3.38Å; H737-Y741 AromaticContact ND1-CE2 3.41Å; H737-Y741 WeakPolarHBondContact ND1-CE2 3.37Å; H737-Y741 AromaticContact NE2-CD2 3.94Å; H737-Y741 WeakPolarHBondContact O-CD2 3.43Å; H737-Y741 PolarHBondContact O-N 3.18Å; Y741-M757 HydrophobicContact CE2-CE 4.49Å; Y741-F758 HydrophobicContact CD1-CE1 4.4Å; Y741-F758 HydrophobicContact CD1-CZ 4.19Å; Y741-F758 AromaticContact CE1-CE1 3.75Å; Y741-F758 HydrophobicContact CE1-CE1 3.75Å; Y741-F758 AromaticContact CE1-CZ 3.72Å; Y741-F758 HydrophobicContact CE1-CZ 3.72Å; Y741-V768 HydrophobicContact CE1-CG1 3.59Å; Y741-W774 HydrophobicContact CD1-CE3 4.23Å; Y741-W774 AromaticContact CD1-CH2 3.95Å; Y741-W774 HydrophobicContact CD1-CH2 3.95Å; Y741-W774 AromaticContact CD1-CZ3 3.74Å; Y741-W774 HydrophobicContact CD1-CZ3 3.74Å; Y741-S780 VanDerWaalsContact O-CA 3.24Å; Y741-S780 WeakPolarHBondContact O-CA 3.4Å; Y741-S780 WeakPolarHBondContact O-CB 3.43Å; Y741-S780 PolarHBondContact O-OG 2.89Å; Y741-P821 HydrophobicContact CD2-CG 4.5Å; Y741-P821 HydrophobicContact CE1-CG 4.36Å; Y741-P821 HydrophobicContact CE2-CG 3.72Å; Y741-Y826 AromaticContact CD1-CD1 3.76Å; Y741-Y826 HydrophobicContact CD1-CD1 3.76Å; Y741-Y826 AromaticContact CD1-CE1 3.7Å; Y741-Y826 HydrophobicContact CD1-CE1 3.7Å; Y741-Y826 HydrophobicContact CE1-CD1 4.33Å; Y741-Y826 AromaticContact CE1-CE1 3.96Å; Y741-Y826 HydrophobicContact CE1-CE1 3.96Å; Y741-Y826 AromaticContact CG-CD1 3.9Å; Y741-Y826 HydrophobicContact CG-CD1 3.9Å; Y741-Y826 HydrophobicContact CG-CE1 4.31Å
742	G	92.6	Very high	75.4	Confident	0 Å²	0	68.9 Å²	68.9	0%	0	35%	0.352	C	S	.	.	H	α-helix	trans	-91	-11.1	-176.6	0	0	0	0	0	114.7	V738 S780 R784	V738-G742 CarbonylContact O-C 3.57Å; V738-G742 WeakPolarHBondContact O-CA 3.32Å; V738-G742 PolarHBondContact O-N 3.48Å; G742-S780 VanDerWaalsContact C-OG 3.26Å; G742-S780 PolarHBondContact O-OG 2.95Å; G742-R784 WeakPolarHBondContact O-CD 3.47Å; G742-R784 PolarHBondContact O-NH1 2.87Å
743	T	87.6	Confident	72.6	Confident	23 Å²	23	72 Å²	72	14%	0.141	38%	0.381	C	S	.	.	S	Bend	trans	-104.6	161	173	75	0	0	0	0	112.1	Q739 S780	Q739-T743 WeakPolarHBondContact O-CB 3.39Å; Q739-T743 VanDerWaalsContact O-CG2 3.29Å; Q739-T743 WeakPolarHBondContact O-CG2 3.29Å; Q739-T743 PolarHBondContact O-N 3.26Å; Q739-T743 PolarHBondContact O-OG1 2.87Å; T743-S780 WeakPolarHBondContact O-CB 3.49Å; T743-S780 PolarHBondContact O-OG 3.16Å
744	N	72.6	Confident	70	Confident	44 Å²	44	78.1 Å²	78.1	24%	0.235	42%	0.418	C	S	.	.			trans	-89.7	125.8	171.8	-177	-78.1	0	0	0	108.7	L746 R747	N744-L746 PolarHBondContact O-N 3.1Å; N744-L746 VanDerWaalsContact O-N 3.08Å; N744-L746 WeakPolarHBondContact OD1-CB 3.48Å; N744-L746 WeakPolarHBondContact OD1-CG 3.2Å; N744-L746 PolarHBondContact OD1-N 2.92Å; N744-R747 PolarHBondContact O-N 2.97Å
745	P	59.8	Low	67.8	Low	54 Å²	54	80.3 Å²	80.3	35%	0.351	43%	0.428	S	S	.	.	G	3₁₀ helix	trans	-52.7	-34	-177.3	-29.9	35.9	0	0	0	114.2	R747 Q748 E776	P745-R747 PolarHBondContact O-N 3.38Å; P745-Q748 PolarHBondContact O-N 2.7Å; P745-Q748 VanDerWaalsContact O-N 3.12Å; P745-E776 WeakPolarHBondContact CD-O 3.44Å
746	L	56.7	Low	65.8	Low	151 Å²	151	80.9 Å²	80.9	79%	0.791	44%	0.441	S	S	*	.	G	3₁₀ helix	trans	-66.2	-3.1	179	-53.2	172.7	0	0	0	114.2	N744	N744-L746 PolarHBondContact O-N 3.1Å; N744-L746 VanDerWaalsContact O-N 3.08Å; N744-L746 WeakPolarHBondContact OD1-CB 3.48Å; N744-L746 WeakPolarHBondContact OD1-CG 3.2Å; N744-L746 PolarHBondContact OD1-N 2.92Å
747	R	50.7	Low	64.8	Low	231 Å²	231	80.5 Å²	80.5	87%	0.872	43%	0.432	S	S	*	.	G	3₁₀ helix	trans	-106.1	-21.2	173.8	-101.2	-170.6	165.6	-134.8	-4.5	114.6	N744 P745	N744-R747 PolarHBondContact O-N 2.97Å; P745-R747 PolarHBondContact O-N 3.38Å
748	Q	49.7	Very low	64.3	Low	67 Å²	67	82.9 Å²	82.9	31%	0.313	44%	0.443	S	S	.	.	S	Bend	trans	-90.2	126	168.4	-81.8	178.2	-33.7	0	0	108.1	P745 L750	P745-Q748 PolarHBondContact O-N 2.7Å; P745-Q748 VanDerWaalsContact O-N 3.12Å; Q748-L750 HydrophobicContact CB-CB 4.26Å; Q748-L750 HydrophobicContact CB-CD1 4.13Å; Q748-L750 PolarHBondContact O-N 3.45Å
749	K	41	Very low	63.9	Low	177 Å²	177	86 Å²	86	77%	0.77	46%	0.462	S	S	*	.			trans	-77	60.2	165.3	-168	-165.5	176.1	-124.1	0	107.9
750	L	44	Very low	63.7	Low	99 Å²	99	91.5 Å²	91.5	52%	0.518	48%	0.479	S	S	.	.			trans	-74.5	123.2	-178.6	-141.2	74.6	0	0	0	107.4	Q748	Q748-L750 HydrophobicContact CB-CB 4.26Å; Q748-L750 HydrophobicContact CB-CD1 4.13Å; Q748-L750 PolarHBondContact O-N 3.45Å
751	D	36.5	Very low	63.6	Low	125 Å²	125	90.5 Å²	90.5	67%	0.668	47%	0.474	S	S	*	.			trans	-64.1	138.4	-177	-61.7	-60.9	0	0	0	110.1	A753	D751-A753 PolarHBondContact O-N 2.98Å
752	C	35.3	Very low	63.3	Low	128 Å²	128	96.9 Å²	96.9	87%	0.865	52%	0.516	S	S	*	.	S	Bend	trans	-75.2	30.4	-166.3	-59	0	0	0	0	115
753	A	40	Very low	63.2	Low	86 Å²	86	98.4 Å²	98.4	71%	0.711	53%	0.526	S	S	*	.	S	Bend	trans	-71.7	121.8	157.9	0	0	0	0	0	107.7	D751 N755	D751-A753 PolarHBondContact O-N 2.98Å; A753-N755 PolarHBondContact O-N 2.96Å
754	V	43.4	Very low	63.2	Low	132 Å²	132	99 Å²	99	80%	0.8	54%	0.537	S	S	*	.			trans	-56.6	112.1	-172.5	-171.4	0	0	0	0	110	P756	V754-P756 WeakPolarHBondContact O-CD 3.4Å; V754-P756 VanDerWaalsContact O-N 3.17Å
755	N	51.4	Low	64	Low	65 Å²	65	97 Å²	97	35%	0.348	53%	0.526	S	S	.	.			trans	-65.7	114.3	178.3	-165.9	-0.5	0	0	0	108	L740 A753 M757	L740-N755 WeakPolarHBondContact CD1-ND2 3.41Å; A753-N755 PolarHBondContact O-N 2.96Å; N755-M757 PolarHBondContact O-N 3.41Å
756	P	56	Low	65.5	Low	119 Å²	119	95.8 Å²	95.8	77%	0.773	52%	0.517	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70	-2.6	-158.4	25.9	-36.4	0	0	0	115.3	V754	V754-P756 WeakPolarHBondContact O-CD 3.4Å; V754-P756 VanDerWaalsContact O-N 3.17Å
757	M	72.5	Confident	67.2	Low	86 Å²	86	88.6 Å²	88.6	42%	0.424	48%	0.479	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.8	12.9	-175.6	-152.7	142.8	67.3	0	0	114.2	L740 Y741 N755	L740-M757 HydrophobicContact CD2-CE 3.43Å; L740-M757 VanDerWaalsContact CD2-CE 3.43Å; Y741-M757 HydrophobicContact CE2-CE 4.49Å; N755-M757 PolarHBondContact O-N 3.41Å
758	F	86.3	Confident	69.1	Low	54 Å²	54	78.6 Å²	78.6	24%	0.237	44%	0.443	C	S	.	.			trans	-122.3	121.4	169.8	-69.9	-61.9	0	0	0	111.2	L740 Y741 I766 G767 V768 W774	L740-F758 HydrophobicContact CD1-CE2 3.84Å; L740-F758 HydrophobicContact CD1-CZ 4.21Å; L740-F758 HydrophobicContact CG-CZ 4.46Å; Y741-F758 HydrophobicContact CD1-CE1 4.4Å; Y741-F758 HydrophobicContact CD1-CZ 4.19Å; Y741-F758 AromaticContact CE1-CE1 3.75Å; Y741-F758 HydrophobicContact CE1-CE1 3.75Å; Y741-F758 AromaticContact CE1-CZ 3.72Å; Y741-F758 HydrophobicContact CE1-CZ 3.72Å; F758-I766 HydrophobicContact CB-CG2 4.01Å; F758-I766 HydrophobicContact CD1-CG2 4.32Å; F758-I766 HydrophobicContact CG-CG2 4.43Å; F758-G767 CarbonylContact C-O 3.59Å; F758-G767 WeakPolarHBondContact CA-O 3.41Å; F758-V768 HydrophobicContact CD1-CG1 3.84Å; F758-V768 HydrophobicContact CE1-CG1 3.69Å; F758-W774 HydrophobicContact CD1-CB 4.11Å; F758-W774 AromaticContact CD1-CD1 3.83Å; F758-W774 AromaticContact CD1-CG 3.93Å; F758-W774 HydrophobicContact CD1-CG 3.93Å; F758-W774 HydrophobicContact CE1-CB 3.93Å; F758-W774 AromaticContact CE1-CD1 3.41Å; F758-W774 VanDerWaalsContact CE1-CD1 3.41Å; F758-W774 AromaticContact CE1-CD2 3.58Å; F758-W774 HydrophobicContact CE1-CD2 3.58Å; F758-W774 AromaticContact CE1-CE2 3.77Å; F758-W774 HydrophobicContact CE1-CE3 4.27Å; F758-W774 AromaticContact CE1-CG 3.38Å; F758-W774 HydrophobicContact CE1-CG 3.38Å; F758-W774 AromaticContact CE1-NE1 3.62Å; F758-W774 AromaticContact CZ-CD1 3.8Å; F758-W774 AromaticContact CZ-CD2 3.97Å; F758-W774 HydrophobicContact CZ-CD2 3.97Å; F758-W774 AromaticContact CZ-CE2 3.65Å; F758-W774 HydrophobicContact CZ-CG 4.08Å; F758-W774 HydrophobicContact CZ-CZ2 4.15Å; F758-W774 AromaticContact CZ-NE1 3.51Å
759	V	86.6	Confident	70.9	Confident	66 Å²	66	77.6 Å²	77.6	40%	0.4	44%	0.44	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	149.6	-179.5	-65.5	0	0	0	0	111.5	L761 I766 G767	V759-L761 HydrophobicContact CG2-CD2 4.26Å; V759-I766 CarbonylContact O-C 3.52Å; V759-I766 WeakPolarHBondContact O-CA 3.33Å; V759-G767 PolarHBondContact N-O 3.26Å; V759-G767 PolarHBondContact O-N 2.94Å
760	R	88.9	Confident	73	Confident	185 Å²	185	73.4 Å²	73.4	70%	0.698	43%	0.433	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.6	122.1	169.3	164.6	153.7	-90.7	144.2	-2.2	109.7	G764 G765	R760-G764 PolarHBondContact NE-O 2.95Å; R760-G764 PolarHBondContact NH2-O 2.99Å; R760-G764 VanDerWaalsContact NH2-O 3.14Å; R760-G765 WeakPolarHBondContact CA-O 3.5Å
761	L	90.1	Very high	74.9	Confident	7 Å²	7	73 Å²	73	4%	0.037	43%	0.431	C	S	.	.			trans	-75.8	155.6	-177.4	-57	-178.9	0	0	0	112.1	V759 C763 G764 G765 I766 D769 I773	V759-L761 HydrophobicContact CG2-CD2 4.26Å; L761-C763 PolarHBondContact O-N 2.92Å; L761-C763 VanDerWaalsContact O-N 3.11Å; L761-G764 WeakPolarHBondContact O-CA 3.44Å; L761-G764 PolarHBondContact O-N 3.19Å; L761-G765 PolarHBondContact N-O 3.46Å; L761-I766 WeakPolarHBondContact CD1-O 3.34Å; L761-D769 WeakPolarHBondContact CD2-O 3.39Å; L761-I773 HydrophobicContact CD1-CB 4.31Å; L761-I773 HydrophobicContact CD1-CG2 3.77Å
762	P	88.2	Confident	77.6	Confident	136 Å²	136	67 Å²	67	88%	0.883	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.9	-27	174	-26.9	35.6	0	0	0	114.3	G764	P762-G764 PolarHBondContact O-N 3.4Å
763	C	90.3	Very high	80.4	Confident	32 Å²	32	61.3 Å²	61.3	22%	0.216	36%	0.36	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.2	4.1	174.1	67.8	0	0	0	0	114.5	C687 I692 H693 L761 G765	C687-C763 HydrophobicContact CB-CB 3.93Å; C687-C763 VanDerWaalsContact CB-O 3.23Å; C687-C763 WeakPolarHBondContact CB-O 3.5Å; I692-C763 HydrophobicContact CD1-CB 4.42Å; I692-C763 HydrophobicContact CG2-CB 4.31Å; H693-C763 PolarHBondContact NE2-SG 2.83Å; L761-C763 PolarHBondContact O-N 2.92Å; L761-C763 VanDerWaalsContact O-N 3.11Å; C763-G765 PolarHBondContact O-N 3.26Å
764	G	87.9	Confident	82.9	Confident	36 Å²	36	57.4 Å²	57.4	37%	0.371	33%	0.327	S	S	.	.	S	Bend	trans	83.6	-9.3	-175	0	0	0	0	0	114.8	R760 L761 P762	R760-G764 PolarHBondContact NE-O 2.95Å; R760-G764 PolarHBondContact NH2-O 2.99Å; R760-G764 VanDerWaalsContact NH2-O 3.14Å; L761-G764 WeakPolarHBondContact O-CA 3.44Å; L761-G764 PolarHBondContact O-N 3.19Å; P762-G764 PolarHBondContact O-N 3.4Å
765	G	89.2	Confident	85.2	Confident	0 Å²	0	52.1 Å²	52.1	0%	0	29%	0.294	C	S	.	.			trans	-69.9	-169.7	177.1	0	0	0	0	0	114.8	R760 L761 C763	R760-G765 WeakPolarHBondContact CA-O 3.5Å; L761-G765 PolarHBondContact N-O 3.46Å; C763-G765 PolarHBondContact O-N 3.26Å
766	I	91.5	Very high	87	Confident	30 Å²	30	54.2 Å²	54.2	15%	0.154	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	146	173.2	-55.4	174.8	0	0	0	107.1	F758 V759 L761 W774 E776	F758-I766 HydrophobicContact CB-CG2 4.01Å; F758-I766 HydrophobicContact CD1-CG2 4.32Å; F758-I766 HydrophobicContact CG-CG2 4.43Å; V759-I766 CarbonylContact O-C 3.52Å; V759-I766 WeakPolarHBondContact O-CA 3.33Å; L761-I766 WeakPolarHBondContact CD1-O 3.34Å; I766-W774 HydrophobicContact CG2-CB 4.29Å; I766-W774 PolarHBondContact O-N 3.34Å; I766-E776 HydrophobicContact CD1-CG 4.47Å; I766-E776 VanDerWaalsContact CD1-OE1 3.3Å; I766-E776 WeakPolarHBondContact CD1-OE1 3.31Å
767	G	91.6	Very high	88.5	Confident	0 Å²	0	53.2 Å²	53.2	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.8	-179.6	173.3	0	0	0	0	0	111	F758 V759 T772	F758-G767 CarbonylContact C-O 3.59Å; F758-G767 WeakPolarHBondContact CA-O 3.41Å; V759-G767 PolarHBondContact N-O 3.26Å; V759-G767 PolarHBondContact O-N 2.94Å; G767-T772 VanDerWaalsContact CA-O 3.23Å; G767-T772 WeakPolarHBondContact CA-O 3.46Å
768	V	90.6	Very high	89.6	Confident	21 Å²	21	52.3 Å²	52.3	13%	0.127	28%	0.284	C	S	.	.	S	Bend	trans	-96.1	-35.6	169.9	-65.2	0	0	0	0	111.3	Y741 F758 T772 P821 Y826	Y741-V768 HydrophobicContact CE1-CG1 3.59Å; F758-V768 HydrophobicContact CD1-CG1 3.84Å; F758-V768 HydrophobicContact CE1-CG1 3.69Å; V768-T772 HydrophobicContact CG2-CG2 3.43Å; V768-T772 VanDerWaalsContact CG2-CG2 3.43Å; V768-T772 PolarHBondContact N-O 2.92Å; V768-P821 HydrophobicContact CB-CG 4.1Å; V768-P821 HydrophobicContact CG1-CG 4.14Å; V768-P821 HydrophobicContact CG2-CB 4.13Å; V768-P821 HydrophobicContact CG2-CG 3.8Å; V768-Y826 HydrophobicContact CG1-CE1 4.03Å; V768-Y826 HydrophobicContact CG2-CE1 4.37Å
769	D	87.9	Confident	90	Very high	46 Å²	46	49.7 Å²	49.7	25%	0.246	27%	0.272	C	S	.	.	S	Bend	trans	-127.6	-167.5	168	64.2	53.7	0	0	0	109.3	L761 D771 T772	L761-D769 WeakPolarHBondContact CD2-O 3.39Å; D769-D771 VanDerWaalsContact C-N 3.29Å; D769-D771 PolarHBondContact O-N 3.11Å; D769-D771 PolarHBondContact OD1-N 2.85Å; D769-T772 VanDerWaalsContact CG-OG1 3.27Å; D769-T772 WeakPolarHBondContact OD1-CB 3.45Å; D769-T772 PolarHBondContact OD1-N 3.03Å; D769-T772 PolarHBondContact OD1-OG1 3.35Å; D769-T772 WeakPolarHBondContact OD2-CB 3.4Å; D769-T772 PolarHBondContact OD2-OG1 3.46Å
770	S	84.3	Confident	90.5	Very high	89 Å²	89	46.8 Å²	46.8	62%	0.622	26%	0.255	S	S	*	.	S	Bend	trans	-61	-30.3	-179.8	-63.7	0	0	0	0	115.1
771	D	85.4	Confident	90.8	Very high	90 Å²	90	39.4 Å²	39.4	48%	0.481	23%	0.231	S	C	.	.	S	Bend	trans	-119.7	-33.9	-163	-65.1	-68.8	0	0	0	111.8	D769 I773 F824	D769-D771 VanDerWaalsContact C-N 3.29Å; D769-D771 PolarHBondContact O-N 3.11Å; D769-D771 PolarHBondContact OD1-N 2.85Å; D771-I773 WeakPolarHBondContact O-CG2 3.2Å; D771-I773 PolarHBondContact O-N 3.06Å; D771-I773 VanDerWaalsContact O-N 3.09Å; D771-F824 HydrophobicContact CB-CD1 4.45Å; D771-F824 HydrophobicContact CB-CE1 3.79Å; D771-F824 HydrophobicContact CB-CZ 4.34Å; D771-F824 WeakPolarHBondContact O-CD1 3.45Å
772	T	91.7	Very high	91.2	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	23%	0.229	C	C	.	.	S	Bend	trans	-79.5	86.5	179.6	-52.2	0	0	0	0	111.1	G767 V768 D769 G823 F824 Y826	G767-T772 VanDerWaalsContact CA-O 3.23Å; G767-T772 WeakPolarHBondContact CA-O 3.46Å; V768-T772 HydrophobicContact CG2-CG2 3.43Å; V768-T772 VanDerWaalsContact CG2-CG2 3.43Å; V768-T772 PolarHBondContact N-O 2.92Å; D769-T772 VanDerWaalsContact CG-OG1 3.27Å; D769-T772 WeakPolarHBondContact OD1-CB 3.45Å; D769-T772 PolarHBondContact OD1-N 3.03Å; D769-T772 PolarHBondContact OD1-OG1 3.35Å; D769-T772 WeakPolarHBondContact OD2-CB 3.4Å; D769-T772 PolarHBondContact OD2-OG1 3.46Å; T772-G823 PolarHBondContact OG1-N 3.36Å; T772-F824 PolarHBondContact OG1-N 2.74Å; T772-Y826 HydrophobicContact CG2-CD2 4.31Å; T772-Y826 HydrophobicContact CG2-CE1 4.36Å; T772-Y826 HydrophobicContact CG2-CE2 3.6Å; T772-Y826 PolarHBondContact O-OH 3.19Å
773	I	93.8	Very high	91.7	Very high	8 Å²	8	32.8 Å²	32.8	4%	0.041	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	147.2	-174.1	72.6	87.7	0	0	0	113.7	H683 C685 H693 L761 D771 Y826	H683-I773 VanDerWaalsContact CE1-CD1 3.47Å; H683-I773 WeakPolarHBondContact CE1-CD1 3.39Å; H683-I773 PolarHBondContact CE1-O 2.97Å; C685-I773 HydrophobicContact CB-CB 4.08Å; C685-I773 HydrophobicContact CB-CD1 4.19Å; C685-I773 HydrophobicContact CB-CG1 4.17Å; C685-I773 HydrophobicContact CB-CG2 4.07Å; H693-I773 VanDerWaalsContact CE1-CG2 3.49Å; H693-I773 WeakPolarHBondContact CE1-CG2 3.25Å; H693-I773 WeakPolarHBondContact ND1-CG2 3.33Å; L761-I773 HydrophobicContact CD1-CB 4.31Å; L761-I773 HydrophobicContact CD1-CG2 3.77Å; D771-I773 WeakPolarHBondContact O-CG2 3.2Å; D771-I773 PolarHBondContact O-N 3.06Å; D771-I773 VanDerWaalsContact O-N 3.09Å; I773-Y826 VanDerWaalsContact C-OH 3.31Å; I773-Y826 PolarHBondContact O-OH 2.97Å
774	W	93.7	Very high	92.1	Very high	4 Å²	4	33.6 Å²	33.6	2%	0.015	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	132.1	174.7	-173	-112.6	0	0	0	111.8	Y741 F758 I766 Y826	Y741-W774 HydrophobicContact CD1-CE3 4.23Å; Y741-W774 AromaticContact CD1-CH2 3.95Å; Y741-W774 HydrophobicContact CD1-CH2 3.95Å; Y741-W774 AromaticContact CD1-CZ3 3.74Å; Y741-W774 HydrophobicContact CD1-CZ3 3.74Å; F758-W774 HydrophobicContact CD1-CB 4.11Å; F758-W774 AromaticContact CD1-CD1 3.83Å; F758-W774 AromaticContact CD1-CG 3.93Å; F758-W774 HydrophobicContact CD1-CG 3.93Å; F758-W774 HydrophobicContact CE1-CB 3.93Å; F758-W774 AromaticContact CE1-CD1 3.41Å; F758-W774 VanDerWaalsContact CE1-CD1 3.41Å; F758-W774 AromaticContact CE1-CD2 3.58Å; F758-W774 HydrophobicContact CE1-CD2 3.58Å; F758-W774 AromaticContact CE1-CE2 3.77Å; F758-W774 HydrophobicContact CE1-CE3 4.27Å; F758-W774 AromaticContact CE1-CG 3.38Å; F758-W774 HydrophobicContact CE1-CG 3.38Å; F758-W774 AromaticContact CE1-NE1 3.62Å; F758-W774 AromaticContact CZ-CD1 3.8Å; F758-W774 AromaticContact CZ-CD2 3.97Å; F758-W774 HydrophobicContact CZ-CD2 3.97Å; F758-W774 AromaticContact CZ-CE2 3.65Å; F758-W774 HydrophobicContact CZ-CG 4.08Å; F758-W774 HydrophobicContact CZ-CZ2 4.15Å; F758-W774 AromaticContact CZ-NE1 3.51Å; I766-W774 HydrophobicContact CG2-CB 4.29Å; I766-W774 PolarHBondContact O-N 3.34Å; W774-Y826 HydrophobicContact CE3-CD1 4.31Å; W774-Y826 AromaticContact CE3-CE1 3.53Å; W774-Y826 HydrophobicContact CE3-CE1 3.53Å; W774-Y826 HydrophobicContact CE3-CE2 4.4Å; W774-Y826 AromaticContact CE3-CZ 3.58Å; W774-Y826 HydrophobicContact CZ3-CD1 4.04Å; W774-Y826 AromaticContact CZ3-CE1 3.71Å; W774-Y826 HydrophobicContact CZ3-CE1 3.71Å
775	N	92.4	Very high	92.6	Very high	20 Å²	20	32 Å²	32	11%	0.107	17%	0.17	C	C	.	.			trans	-120.7	107.7	171.6	-177.8	-55.6	0	0	0	107.5	Q684 I777 H778 S779	Q684-N775 PolarHBondContact O-ND2 2.95Å; N775-I777 PolarHBondContact O-N 3.39Å; N775-I777 PolarHBondContact OD1-N 3.37Å; N775-H778 HydrophobicContact CB-CB 4.44Å; N775-H778 PolarHBondContact O-N 2.87Å; N775-H778 WeakPolarHBondContact OD1-CB 3.28Å; N775-H778 PolarHBondContact OD1-N 3.09Å; N775-H778 VanDerWaalsContact OD1-N 3.14Å; N775-S779 PolarHBondContact N-OG 2.75Å; N775-S779 PolarHBondContact O-N 3.11Å
776	E	88.1	Confident	93	Very high	110 Å²	110	32 Å²	32	51%	0.514	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.1	-32	-173.4	-59.1	171.4	171.6	0	0	114	P745 I766	P745-E776 WeakPolarHBondContact CD-O 3.44Å; I766-E776 HydrophobicContact CD1-CG 4.47Å; I766-E776 VanDerWaalsContact CD1-OE1 3.3Å; I766-E776 WeakPolarHBondContact CD1-OE1 3.31Å
777	I	88.8	Confident	93.4	Very high	98 Å²	98	30.6 Å²	30.6	50%	0.503	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.6	-31.2	-177	-46.4	-178.2	0	0	0	111	N775	N775-I777 PolarHBondContact O-N 3.39Å; N775-I777 PolarHBondContact OD1-N 3.37Å
778	H	93.9	Very high	93.7	Very high	66 Å²	66	30.6 Å²	30.6	31%	0.306	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	-125.6	-33.4	-160.8	-62	-36.4	0	0	0	116.6	K682 N775 S780 T781 A782	K682-H778 HydrophobicContact CB-CB 3.93Å; K682-H778 WeakPolarHBondContact O-CB 3.28Å; K682-H778 PolarHBondContact O-CD2 2.81Å; K682-H778 VanDerWaalsContact O-CD2 3.29Å; N775-H778 HydrophobicContact CB-CB 4.44Å; N775-H778 PolarHBondContact O-N 2.87Å; N775-H778 WeakPolarHBondContact OD1-CB 3.28Å; N775-H778 PolarHBondContact OD1-N 3.09Å; N775-H778 VanDerWaalsContact OD1-N 3.14Å; H778-S780 PolarHBondContact O-N 3.28Å; H778-T781 WeakPolarHBondContact O-CA 3.5Å; H778-T781 WeakPolarHBondContact O-CB 3.25Å; H778-T781 PolarHBondContact O-N 3.44Å; H778-A782 PolarHBondContact O-N 3.05Å
779	S	95.5	Very high	94.1	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-54.9	-52.2	-175.6	-75.2	0	0	0	0	112.2	H683 N775 T781 A782 A783	H683-S779 PolarHBondContact CE1-OG 2.85Å; H683-S779 PolarHBondContact ND1-OG 2.99Å; N775-S779 PolarHBondContact N-OG 2.75Å; N775-S779 PolarHBondContact O-N 3.11Å; S779-T781 PolarHBondContact O-N 3.48Å; S779-T781 VanDerWaalsContact O-N 3.15Å; S779-A782 PolarHBondContact O-N 2.99Å; S779-A783 PolarHBondContact O-N 2.77Å
780	S	95.9	Very high	94.7	Very high	4 Å²	4	27.5 Å²	27.5	3%	0.028	15%	0.145	C	C	.	.	H	α-helix	trans	-52.9	-36.8	175.9	-179.7	0	0	0	0	113.6	Y741 G742 T743 H778 R784	Y741-S780 VanDerWaalsContact O-CA 3.24Å; Y741-S780 WeakPolarHBondContact O-CA 3.4Å; Y741-S780 WeakPolarHBondContact O-CB 3.43Å; Y741-S780 PolarHBondContact O-OG 2.89Å; G742-S780 VanDerWaalsContact C-OG 3.26Å; G742-S780 PolarHBondContact O-OG 2.95Å; T743-S780 WeakPolarHBondContact O-CB 3.49Å; T743-S780 PolarHBondContact O-OG 3.16Å; H778-S780 PolarHBondContact O-N 3.28Å; S780-R784 WeakPolarHBondContact O-CB 3.42Å; S780-R784 VanDerWaalsContact O-CG 3.32Å; S780-R784 WeakPolarHBondContact O-CG 3.37Å; S780-R784 PolarHBondContact O-N 3.45Å
781	T	96.6	Very high	95.3	Very high	31 Å²	31	23.3 Å²	23.3	19%	0.19	12%	0.116	C	C	.	.	H	α-helix	trans	-76.3	-37.9	178.8	-83.6	0	0	0	0	112.5	K723 H778 S779 L785	K723-T781 VanDerWaalsContact NZ-CG2 3.34Å; K723-T781 PolarHBondContact NZ-OG1 2.95Å; H778-T781 WeakPolarHBondContact O-CA 3.5Å; H778-T781 WeakPolarHBondContact O-CB 3.25Å; H778-T781 PolarHBondContact O-N 3.44Å; S779-T781 PolarHBondContact O-N 3.48Å; S779-T781 VanDerWaalsContact O-N 3.15Å; T781-L785 WeakPolarHBondContact O-CB 3.26Å; T781-L785 PolarHBondContact O-N 3.25Å
782	A	98.1	Very high	96	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-71.3	-50.2	178.1	0	0	0	0	0	111.7	H683 H778 S779 R784 L785 A786	H683-A782 HydrophobicContact CB-CB 3.45Å; H683-A782 VanDerWaalsContact CB-CB 3.45Å; H778-A782 PolarHBondContact O-N 3.05Å; S779-A782 PolarHBondContact O-N 2.99Å; A782-R784 VanDerWaalsContact C-N 3.35Å; A782-R784 PolarHBondContact O-N 2.76Å; A782-L785 CarbonylContact O-C 3.59Å; A782-L785 WeakPolarHBondContact O-CA 3.16Å; A782-L785 WeakPolarHBondContact O-CB 3.31Å; A782-L785 PolarHBondContact O-N 3.32Å; A782-A786 PolarHBondContact O-N 2.67Å
783	A	98.2	Very high	96.3	Very high	3 Å²	3	21.7 Å²	21.7	3%	0.025	11%	0.105	C	C	.	.	H	α-helix	trans	-58.9	-44.7	-179.1	0	0	0	0	0	111.8	S779 L785 A786 V787 P811 F827	S779-A783 PolarHBondContact O-N 2.77Å; A783-L785 VanDerWaalsContact C-N 3.26Å; A783-L785 PolarHBondContact O-N 3.38Å; A783-A786 PolarHBondContact O-N 2.75Å; A783-V787 WeakPolarHBondContact O-CG2 3.4Å; A783-V787 PolarHBondContact O-N 2.77Å; A783-P811 HydrophobicContact CB-CG 3.88Å; A783-F827 HydrophobicContact CB-CD2 3.83Å; A783-F827 HydrophobicContact CB-CE2 4.29Å
784	R	98.5	Very high	96.6	Very high	49 Å²	49	21.3 Å²	21.3	19%	0.185	10%	0.104	C	C	.	.	H	α-helix	trans	-64.9	-28	173.9	-71.1	-175.9	55.8	-176.1	2.4	113.8	K723 A724 L729 G742 S780 A782 G788 F827	K723-R784 CarbonylContact C-O 3.52Å; K723-R784 WeakPolarHBondContact CA-O 3.45Å; K723-R784 HydrophobicContact CB-CB 4.23Å; A724-R784 PolarHBondContact N-O 3.33Å; A724-R784 VanDerWaalsContact O-CZ 3.28Å; A724-R784 PolarHBondContact O-NE 2.94Å; A724-R784 PolarHBondContact O-NH2 3.01Å; L729-R784 HydrophobicContact CD1-CG 3.82Å; G742-R784 WeakPolarHBondContact O-CD 3.47Å; G742-R784 PolarHBondContact O-NH1 2.87Å; S780-R784 WeakPolarHBondContact O-CB 3.42Å; S780-R784 VanDerWaalsContact O-CG 3.32Å; S780-R784 WeakPolarHBondContact O-CG 3.37Å; S780-R784 PolarHBondContact O-N 3.45Å; A782-R784 VanDerWaalsContact C-N 3.35Å; A782-R784 PolarHBondContact O-N 2.76Å; R784-G788 PolarHBondContact O-N 3.17Å; R784-G788 VanDerWaalsContact O-N 3.11Å; R784-F827 HydrophobicContact CG-CD2 4.49Å; R784-F827 HydrophobicContact CG-CE2 4.07Å
785	L	98.6	Very high	96.8	Very high	4 Å²	4	22.9 Å²	22.9	2%	0.021	11%	0.111	C	C	.	.	H	α-helix	trans	-81.7	-29.5	178.5	-177.4	58	0	0	0	112	D677 L679 M680 R722 K723 T781 A782 A783 S789	D677-L785 HydrophobicContact CB-CD1 4.38Å; D677-L785 HydrophobicContact CB-CD2 3.89Å; D677-L785 HydrophobicContact CB-CG 4.21Å; L679-L785 HydrophobicContact CB-CD2 3.61Å; L679-L785 HydrophobicContact CD1-CD2 4.32Å; M680-L785 HydrophobicContact CG-CB 4.26Å; M680-L785 HydrophobicContact CG-CD2 4.08Å; M680-L785 HydrophobicContact CG-CG 4.04Å; R722-L785 VanDerWaalsContact C-CD1 3.48Å; R722-L785 WeakPolarHBondContact O-CD1 3.46Å; K723-L785 HydrophobicContact CG-CB 4.46Å; T781-L785 WeakPolarHBondContact O-CB 3.26Å; T781-L785 PolarHBondContact O-N 3.25Å; A782-L785 CarbonylContact O-C 3.59Å; A782-L785 WeakPolarHBondContact O-CA 3.16Å; A782-L785 WeakPolarHBondContact O-CB 3.31Å; A782-L785 PolarHBondContact O-N 3.32Å; A783-L785 VanDerWaalsContact C-N 3.26Å; A783-L785 PolarHBondContact O-N 3.38Å; L785-S789 WeakPolarHBondContact O-CB 3.36Å; L785-S789 PolarHBondContact O-N 3.42Å; L785-S789 PolarHBondContact O-OG 3.44Å
786	A	98.8	Very high	97.1	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-61.9	-58	168	0	0	0	0	0	110.3	M680 A782 A783 G788 S789 V790 V809	M680-A786 HydrophobicContact SD-CB 3.98Å; A782-A786 PolarHBondContact O-N 2.67Å; A783-A786 PolarHBondContact O-N 2.75Å; A786-G788 PolarHBondContact O-N 2.92Å; A786-S789 WeakPolarHBondContact O-CB 3.5Å; A786-S789 PolarHBondContact O-N 3.04Å; A786-V790 PolarHBondContact O-N 3.41Å; A786-V809 HydrophobicContact CB-CB 3.98Å; A786-V809 HydrophobicContact CB-CG1 4.48Å
787	V	98.9	Very high	97.6	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-52.9	-54.1	177.5	179.1	0	0	0	0	111.2	A724 L729 A783 S789 V790 V791 F827 S829 I832	A724-V787 HydrophobicContact CB-CB 4.02Å; A724-V787 HydrophobicContact CB-CG1 3.74Å; L729-V787 HydrophobicContact CD2-CB 4.31Å; L729-V787 HydrophobicContact CD2-CG1 4.17Å; L729-V787 HydrophobicContact CD2-CG2 4.02Å; A783-V787 WeakPolarHBondContact O-CG2 3.4Å; A783-V787 PolarHBondContact O-N 2.77Å; V787-S789 PolarHBondContact O-N 3.35Å; V787-V790 PolarHBondContact O-N 2.97Å; V787-V791 HydrophobicContact CG1-CG2 4.3Å; V787-V791 WeakPolarHBondContact O-CG2 3.3Å; V787-V791 PolarHBondContact O-N 3.4Å; V787-F827 HydrophobicContact CG2-CB 3.57Å; V787-F827 HydrophobicContact CG2-CG 4.5Å; V787-S829 WeakPolarHBondContact CA-OG 3.31Å; V787-S829 WeakPolarHBondContact CG2-OG 3.34Å; V787-S829 PolarHBondContact N-OG 2.93Å; V787-I832 HydrophobicContact CG1-CB 4.03Å; V787-I832 HydrophobicContact CG1-CD1 3.69Å; V787-I832 HydrophobicContact CG1-CG1 4.48Å; V787-I832 HydrophobicContact CG1-CG2 3.65Å; V787-I832 HydrophobicContact CG2-CD1 4.05Å
788	G	98.8	Very high	98.1	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-70.3	-14.2	-178.1	0	0	0	0	0	114.5	R722 R784 A786 E792	R722-G788 CarbonylContact O-C 3.6Å; R722-G788 WeakPolarHBondContact O-CA 3.48Å; R784-G788 PolarHBondContact O-N 3.17Å; R784-G788 VanDerWaalsContact O-N 3.11Å; A786-G788 PolarHBondContact O-N 2.92Å; G788-E792 VanDerWaalsContact O-CG 3.31Å; G788-E792 WeakPolarHBondContact O-CG 3.39Å; G788-E792 PolarHBondContact O-N 3.49Å
789	S	98.9	Very high	98.2	Very high	0 Å²	0	15.4 Å²	15.4	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-78.4	-46.2	168	-65.5	0	0	0	0	111.3	G721 L785 A786 V787 E792 L793	G721-S789 WeakPolarHBondContact CA-OG 3.47Å; L785-S789 WeakPolarHBondContact O-CB 3.36Å; L785-S789 PolarHBondContact O-N 3.42Å; L785-S789 PolarHBondContact O-OG 3.44Å; A786-S789 WeakPolarHBondContact O-CB 3.5Å; A786-S789 PolarHBondContact O-N 3.04Å; V787-S789 PolarHBondContact O-N 3.35Å; S789-E792 PolarHBondContact O-N 3.19Å; S789-L793 PolarHBondContact O-N 3.5Å
790	V	98.9	Very high	98.3	Very high	2 Å²	2	17.1 Å²	17.1	1%	0.012	10%	0.099	C	C	.	.	H	α-helix	trans	-59.8	-46.6	175.5	178	0	0	0	0	110.2	A786 V787 E792 L793 V794 A807 V809 A833 A983	A786-V790 PolarHBondContact O-N 3.41Å; V787-V790 PolarHBondContact O-N 2.97Å; V790-E792 PolarHBondContact O-N 3.3Å; V790-L793 PolarHBondContact O-N 3.47Å; V790-V794 HydrophobicContact CG1-CG2 3.93Å; V790-V794 WeakPolarHBondContact O-CB 3.45Å; V790-V794 VanDerWaalsContact O-CG2 3.27Å; V790-V794 WeakPolarHBondContact O-CG2 3.45Å; V790-V794 PolarHBondContact O-N 2.97Å; V790-A807 HydrophobicContact CG2-CB 3.94Å; V790-V809 HydrophobicContact CG2-CG1 4.24Å; V790-V809 HydrophobicContact CG2-CG2 4.04Å; V790-A833 HydrophobicContact CG1-CB 4.07Å; V790-A983 HydrophobicContact CG1-CB 4.26Å; V790-A983 HydrophobicContact CG2-CB 3.85Å
791	V	98.9	Very high	98.3	Very high	1 Å²	1	20.7 Å²	20.7	1%	0.006	12%	0.115	C	C	.	.	H	α-helix	trans	-57.8	-45.7	178.3	172.3	0	0	0	0	112.4	V787 L793 V794 F795 I832 A833 L836	V787-V791 HydrophobicContact CG1-CG2 4.3Å; V787-V791 WeakPolarHBondContact O-CG2 3.3Å; V787-V791 PolarHBondContact O-N 3.4Å; V791-L793 PolarHBondContact O-N 3.14Å; V791-V794 PolarHBondContact O-N 3.08Å; V791-F795 HydrophobicContact CG1-CD2 3.96Å; V791-F795 HydrophobicContact CG1-CE2 4.14Å; V791-F795 WeakPolarHBondContact O-CB 3.15Å; V791-F795 VanDerWaalsContact O-CD2 3.32Å; V791-F795 WeakPolarHBondContact O-CD2 3.42Å; V791-F795 PolarHBondContact O-N 2.71Å; V791-I832 HydrophobicContact CG2-CG2 4.24Å; V791-A833 HydrophobicContact CG2-CB 4.21Å; V791-L836 HydrophobicContact CG1-CD1 3.94Å; V791-L836 HydrophobicContact CG2-CD1 3.8Å
792	E	98.7	Very high	98.4	Very high	55 Å²	55	19.3 Å²	19.3	26%	0.257	11%	0.107	S	C	.	.	H	α-helix	trans	-63.3	-39.1	178	-74.6	-66.8	122.1	0	0	112.7	I719 R722 G788 S789 V790 K796	I719-E792 HydrophobicContact CG2-CB 4.38Å; R722-E792 HydrophobicContact CG-CG 3.81Å; R722-E792 IonicContact CZ-OE1 3.86Å; R722-E792 IonicContact NE-OE1 3.4Å; R722-E792 PolarHBondContact NE-OE1 3.33Å; R722-E792 IonicContact NH2-OE1 3.64Å; G788-E792 VanDerWaalsContact O-CG 3.31Å; G788-E792 WeakPolarHBondContact O-CG 3.39Å; G788-E792 PolarHBondContact O-N 3.49Å; S789-E792 PolarHBondContact O-N 3.19Å; V790-E792 PolarHBondContact O-N 3.3Å; E792-K796 WeakPolarHBondContact O-CG 3.48Å; E792-K796 PolarHBondContact O-N 3.08Å
793	L	98.9	Very high	98.4	Very high	0 Å²	0	22 Å²	22	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-70.8	-45	178.2	-175.9	65.8	0	0	0	111.7	V675 I719 S789 V790 V791 K796 V797 L802 F806 A807 V981	V675-L793 HydrophobicContact CB-CB 4.49Å; V675-L793 HydrophobicContact CG1-CB 4.03Å; V675-L793 HydrophobicContact CG1-CD2 3.98Å; I719-L793 HydrophobicContact CG1-CD1 4.07Å; S789-L793 PolarHBondContact O-N 3.5Å; V790-L793 PolarHBondContact O-N 3.47Å; V791-L793 PolarHBondContact O-N 3.14Å; L793-K796 PolarHBondContact O-N 3.31Å; L793-V797 PolarHBondContact O-N 3.43Å; L793-V797 VanDerWaalsContact O-N 3.1Å; L793-L802 HydrophobicContact CD1-CD1 3.71Å; L793-F806 VanDerWaalsContact CD2-C 3.47Å; L793-A807 HydrophobicContact CD2-CB 4.03Å; L793-V981 HydrophobicContact CD2-CG1 3.72Å; L793-V981 HydrophobicContact CG-CG1 4.09Å; L793-V981 HydrophobicContact CG-CG2 4.35Å
794	V	98.9	Very high	98.4	Very high	1 Å²	1	21.9 Å²	21.9	1%	0.006	12%	0.117	C	C	.	.	H	α-helix	trans	-61.4	-45.1	178.9	168.6	0	0	0	0	111.4	V790 V791 K796 V797 A798 A833 L837 L940 V981	V790-V794 HydrophobicContact CG1-CG2 3.93Å; V790-V794 WeakPolarHBondContact O-CB 3.45Å; V790-V794 VanDerWaalsContact O-CG2 3.27Å; V790-V794 WeakPolarHBondContact O-CG2 3.45Å; V790-V794 PolarHBondContact O-N 2.97Å; V791-V794 PolarHBondContact O-N 3.08Å; V794-K796 PolarHBondContact O-N 3.1Å; V794-V797 PolarHBondContact O-N 3.44Å; V794-A798 WeakPolarHBondContact O-CB 3.5Å; V794-A798 PolarHBondContact O-N 2.91Å; V794-A833 HydrophobicContact CB-CB 4.19Å; V794-A833 HydrophobicContact CG1-CB 4.15Å; V794-A833 HydrophobicContact CG2-CB 4.02Å; V794-L837 HydrophobicContact CG1-CD1 3.6Å; V794-L837 HydrophobicContact CG1-CD2 3.96Å; V794-L837 HydrophobicContact CG1-CG 3.8Å; V794-L940 HydrophobicContact CB-CD2 4.42Å; V794-L940 HydrophobicContact CG1-CD2 3.87Å; V794-L940 HydrophobicContact CG2-CD2 3.64Å; V794-V981 HydrophobicContact CG2-CB 3.99Å; V794-V981 HydrophobicContact CG2-CG1 3.81Å; V794-V981 HydrophobicContact CG2-CG2 4.18Å
795	F	98.7	Very high	98.4	Very high	37 Å²	37	19.5 Å²	19.5	16%	0.162	11%	0.108	C	C	.	.	H	α-helix	trans	-62.4	-43.1	177.4	-90.2	-110.1	0	0	0	111.7	V791 V797 A798 T799 L836 L837 R840 L841	V791-F795 HydrophobicContact CG1-CD2 3.96Å; V791-F795 HydrophobicContact CG1-CE2 4.14Å; V791-F795 WeakPolarHBondContact O-CB 3.15Å; V791-F795 VanDerWaalsContact O-CD2 3.32Å; V791-F795 WeakPolarHBondContact O-CD2 3.42Å; V791-F795 PolarHBondContact O-N 2.71Å; F795-V797 VanDerWaalsContact C-N 3.32Å; F795-V797 PolarHBondContact O-N 3.31Å; F795-A798 PolarHBondContact O-N 3.27Å; F795-T799 WeakPolarHBondContact O-CG2 3.42Å; F795-T799 PolarHBondContact O-N 2.89Å; F795-T799 PolarHBondContact O-OG1 2.82Å; F795-L836 HydrophobicContact CE2-CB 3.76Å; F795-L836 HydrophobicContact CZ-CB 3.92Å; F795-L836 WeakPolarHBondContact CZ-O 3.3Å; F795-L837 HydrophobicContact CD2-CD2 4.3Å; F795-L837 HydrophobicContact CE2-CD2 4.14Å; F795-L837 HydrophobicContact CZ-CD2 4.46Å; F795-R840 HydrophobicContact CE1-CB 3.92Å; F795-R840 HydrophobicContact CZ-CB 3.95Å; F795-R840 HydrophobicContact CZ-CG 4.39Å; F795-L841 HydrophobicContact CD1-CD1 3.96Å; F795-L841 HydrophobicContact CD1-CG 4.37Å; F795-L841 HydrophobicContact CE1-CD1 3.96Å; F795-L841 HydrophobicContact CE1-CG 3.92Å
796	K	98.6	Very high	98.4	Very high	40 Å²	40	19.3 Å²	19.3	17%	0.174	11%	0.107	C	C	.	.	H	α-helix	trans	-66.7	-28.4	179.1	-74.4	-179.3	173.5	-69.7	0	114.5	I719 E792 L793 V794 T799 G800 E801 L802	I719-K796 HydrophobicContact CD1-CD 3.98Å; I719-K796 HydrophobicContact CG2-CD 4.23Å; E792-K796 WeakPolarHBondContact O-CG 3.48Å; E792-K796 PolarHBondContact O-N 3.08Å; L793-K796 PolarHBondContact O-N 3.31Å; V794-K796 PolarHBondContact O-N 3.1Å; K796-T799 WeakPolarHBondContact CA-OG1 3.35Å; K796-T799 PolarHBondContact O-OG1 2.95Å; K796-G800 PolarHBondContact O-N 2.71Å; K796-E801 HydrophobicContact CB-CB 4.25Å; K796-E801 HydrophobicContact CG-CB 4.45Å; K796-E801 IonicContact NZ-OE2 3.07Å; K796-E801 PolarHBondContact NZ-OE2 2.69Å; K796-E801 WeakPolarHBondContact O-CB 3.49Å; K796-E801 PolarHBondContact O-N 2.95Å; K796-L802 HydrophobicContact CB-CD1 3.67Å; K796-L802 HydrophobicContact CB-CG 4.04Å; K796-L802 HydrophobicContact CD-CD1 4.48Å; K796-L802 PolarHBondContact O-N 2.93Å
797	V	98.7	Very high	98.4	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-78.3	-38.2	171.7	172.4	0	0	0	0	111	L793 V794 F795 G800 L802 R979 V981	L793-V797 PolarHBondContact O-N 3.43Å; L793-V797 VanDerWaalsContact O-N 3.1Å; V794-V797 PolarHBondContact O-N 3.44Å; F795-V797 VanDerWaalsContact C-N 3.32Å; F795-V797 PolarHBondContact O-N 3.31Å; V797-G800 PolarHBondContact O-N 2.69Å; V797-L802 HydrophobicContact CG2-CB 3.78Å; V797-L802 HydrophobicContact CG2-CD1 4.28Å; V797-R979 HydrophobicContact CG1-CB 3.99Å; V797-R979 HydrophobicContact CG1-CG 4.33Å; V797-V981 HydrophobicContact CB-CG2 3.8Å; V797-V981 HydrophobicContact CG1-CG2 4.06Å; V797-V981 HydrophobicContact CG2-CG2 3.64Å
798	A	98.3	Very high	98.4	Very high	24 Å²	24	19.3 Å²	19.3	20%	0.198	11%	0.107	C	C	.	.	H	α-helix	trans	-67.7	-35.8	176.5	0	0	0	0	0	113.2	V794 F795 G800 L837 L841 V938	V794-A798 WeakPolarHBondContact O-CB 3.5Å; V794-A798 PolarHBondContact O-N 2.91Å; F795-A798 PolarHBondContact O-N 3.27Å; A798-G800 VanDerWaalsContact C-N 3.3Å; A798-L837 HydrophobicContact CB-CD2 3.57Å; A798-L841 HydrophobicContact CB-CD1 3.91Å; A798-V938 HydrophobicContact CB-CG2 4.34Å
799	T	97.4	Very high	98.4	Very high	72 Å²	72	19.5 Å²	19.5	44%	0.442	11%	0.108	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.4	-9.8	174.8	57.4	0	0	0	0	113.8	F795 K796 E801 L841	F795-T799 WeakPolarHBondContact O-CG2 3.42Å; F795-T799 PolarHBondContact O-N 2.89Å; F795-T799 PolarHBondContact O-OG1 2.82Å; K796-T799 WeakPolarHBondContact CA-OG1 3.35Å; K796-T799 PolarHBondContact O-OG1 2.95Å; T799-E801 VanDerWaalsContact C-N 3.33Å; T799-E801 WeakPolarHBondContact OG1-CG 3.42Å; T799-E801 PolarHBondContact OG1-OE1 3.5Å; T799-L841 HydrophobicContact CG2-CD1 4.39Å
800	G	96.3	Very high	98.4	Very high	36 Å²	36	19.5 Å²	19.5	37%	0.371	11%	0.109	S	C	.	.	T	Hydrogen-bonded Turn	trans	75.5	14.9	-177.1	0	0	0	0	0	114.9	F670 K796 V797 A798	F670-G800 WeakPolarHBondContact CD2-O 3.45Å; F670-G800 WeakPolarHBondContact CE2-O 3.15Å; K796-G800 PolarHBondContact O-N 2.71Å; V797-G800 PolarHBondContact O-N 2.69Å; A798-G800 VanDerWaalsContact C-N 3.3Å
801	E	97	Very high	98.4	Very high	79 Å²	79	19.6 Å²	19.6	37%	0.369	11%	0.109	S	C	.	.	S	Bend	trans	-66.7	-28.2	167.6	-67.8	168.1	-113.5	0	0	111.6	K796 T799	K796-E801 HydrophobicContact CB-CB 4.25Å; K796-E801 HydrophobicContact CG-CB 4.45Å; K796-E801 IonicContact NZ-OE2 3.07Å; K796-E801 PolarHBondContact NZ-OE2 2.69Å; K796-E801 WeakPolarHBondContact O-CB 3.49Å; K796-E801 PolarHBondContact O-N 2.95Å; T799-E801 VanDerWaalsContact C-N 3.33Å; T799-E801 WeakPolarHBondContact OG1-CG 3.42Å; T799-E801 PolarHBondContact OG1-OE1 3.5Å
802	L	98.1	Very high	98.4	Very high	3 Å²	3	19.8 Å²	19.8	2%	0.016	11%	0.11	C	C	.	.	S	Bend	trans	-125.5	156.8	174.5	-65.5	172.2	0	0	0	110.4	F670 E717 I719 L793 K796 V797	F670-L802 WeakPolarHBondContact CE2-O 3.21Å; E717-L802 HydrophobicContact CB-CD2 3.84Å; E717-L802 HydrophobicContact CG-CD2 4.18Å; I719-L802 HydrophobicContact CD1-CD1 3.99Å; I719-L802 HydrophobicContact CD1-CD2 4.41Å; I719-L802 HydrophobicContact CG1-CD1 3.95Å; L793-L802 HydrophobicContact CD1-CD1 3.71Å; K796-L802 HydrophobicContact CB-CD1 3.67Å; K796-L802 HydrophobicContact CB-CG 4.04Å; K796-L802 HydrophobicContact CD-CD1 4.48Å; K796-L802 PolarHBondContact O-N 2.93Å; V797-L802 HydrophobicContact CG2-CB 3.78Å; V797-L802 HydrophobicContact CG2-CD1 4.28Å
803	K	97.9	Very high	98.4	Very high	56 Å²	56	17.2 Å²	17.2	24%	0.243	10%	0.098	C	C	.	.	S	Bend	trans	-74.6	-50	174.7	178.8	-166.4	173.1	-160.2	0	111.3	F670 T671 L1004	F670-K803 HydrophobicContact CD1-CB 4.1Å; F670-K803 HydrophobicContact CE1-CB 3.83Å; F670-K803 HydrophobicContact CE1-CG 4.02Å; F670-K803 HydrophobicContact CE2-CB 4.28Å; F670-K803 HydrophobicContact CG-CB 4.45Å; F670-K803 HydrophobicContact CZ-CB 3.93Å; F670-K803 HydrophobicContact CZ-CG 4.31Å; T671-K803 PolarHBondContact O-N 2.92Å; K803-L1004 PolarHBondContact NZ-O 3.05Å
804	N	98.8	Very high	98.4	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-164.1	-178.5	-174.3	56	16.4	0	0	0	109.1	T672 G673 L980 L1004	T672-N804 CarbonylContact C-O 3.47Å; T672-N804 WeakPolarHBondContact CA-O 3.3Å; T672-N804 VanDerWaalsContact CA-OD1 3.26Å; T672-N804 WeakPolarHBondContact CA-OD1 3.47Å; T672-N804 WeakPolarHBondContact CB-OD1 3.28Å; T672-N804 PolarHBondContact OG1-OD1 3.12Å; G673-N804 PolarHBondContact N-O 3.04Å; N804-L980 CarbonylContact C-O 3.44Å; N804-L980 WeakPolarHBondContact CA-O 3.39Å; N804-L980 HydrophobicContact CB-CB 4.35Å; N804-L980 WeakPolarHBondContact CB-O 3.36Å; N804-L1004 HydrophobicContact CB-CD2 4.1Å; N804-L1004 PolarHBondContact ND2-O 3.46Å
805	G	98.7	Very high	98.4	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-169.5	170.8	176.7	0	0	0	0	0	117.4	G673 L980 V981 L982	G673-G805 CarbonylContact O-C 3.52Å; G673-G805 WeakPolarHBondContact O-CA 3.39Å; G805-L980 PolarHBondContact N-O 3.27Å; G805-V981 WeakPolarHBondContact O-CA 3.44Å; G805-L982 PolarHBondContact O-N 3.29Å
806	F	98.9	Very high	98.4	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	132.1	172.7	-166.7	-75.2	0	0	0	111.3	G673 L674 V675 L793 V808 F945 L982 L984 C1000 I1001 L1004	G673-F806 PolarHBondContact O-N 3.1Å; L674-F806 WeakPolarHBondContact CA-O 3.3Å; L674-F806 HydrophobicContact CD2-CB 3.78Å; V675-F806 PolarHBondContact N-O 3.06Å; L793-F806 VanDerWaalsContact CD2-C 3.47Å; F806-V808 HydrophobicContact CD1-CG2 3.72Å; F806-V808 HydrophobicContact CE1-CG2 3.91Å; F806-F945 HydrophobicContact CE2-CE2 4.26Å; F806-F945 HydrophobicContact CE2-CZ 4.01Å; F806-F945 AromaticContact CZ-CE2 3.91Å; F806-F945 HydrophobicContact CZ-CE2 3.91Å; F806-F945 HydrophobicContact CZ-CZ 4.14Å; F806-L982 CarbonylContact C-O 3.59Å; F806-L982 WeakPolarHBondContact CA-O 3.46Å; F806-L982 HydrophobicContact CD2-CB 3.46Å; F806-L982 VanDerWaalsContact CD2-CB 3.46Å; F806-L982 HydrophobicContact CD2-CD2 3.74Å; F806-L982 HydrophobicContact CD2-CG 4.26Å; F806-L982 HydrophobicContact CE2-CB 3.78Å; F806-L982 HydrophobicContact CE2-CD2 3.89Å; F806-L982 HydrophobicContact CE2-CG 4.47Å; F806-L982 HydrophobicContact CG-CB 4.24Å; F806-L984 HydrophobicContact CE1-CB 4.28Å; F806-L984 HydrophobicContact CZ-CB 4.39Å; F806-C1000 HydrophobicContact CD2-CB 4.4Å; F806-C1000 HydrophobicContact CE2-CB 4.35Å; F806-I1001 HydrophobicContact CB-CD1 3.87Å; F806-I1001 HydrophobicContact CB-CG1 3.69Å; F806-I1001 HydrophobicContact CD1-CD1 4.03Å; F806-I1001 HydrophobicContact CD2-CD1 4.32Å; F806-I1001 HydrophobicContact CD2-CG1 4.07Å; F806-I1001 HydrophobicContact CG-CD1 3.81Å; F806-I1001 HydrophobicContact CG-CG1 3.87Å; F806-L1004 HydrophobicContact CB-CD1 4.04Å
807	A	98.9	Very high	98.4	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	111	176.7	0	0	0	0	0	111.7	V675 V790 L793 V809 L982 A983 L984	V675-A807 HydrophobicContact CG1-CB 3.46Å; V675-A807 VanDerWaalsContact CG1-CB 3.46Å; V790-A807 HydrophobicContact CG2-CB 3.94Å; L793-A807 HydrophobicContact CD2-CB 4.03Å; A807-V809 HydrophobicContact CB-CG1 4.01Å; A807-V809 HydrophobicContact CB-CG2 4.36Å; A807-V809 PolarHBondContact O-N 2.79Å; A807-V809 VanDerWaalsContact O-N 3.16Å; A807-L982 PolarHBondContact N-O 2.92Å; A807-A983 HydrophobicContact CB-CB 4.22Å; A807-L984 PolarHBondContact O-N 3.38Å
808	V	98.8	Very high	98.3	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	12%	0.118	C	C	.	.			trans	-88.5	77.3	177.5	-170.4	0	0	0	0	108.4	V675 Y676 M680 I700 I703 W704 L707 F806	V675-V808 PolarHBondContact O-N 2.8Å; Y676-V808 HydrophobicContact CD2-CB 4.14Å; Y676-V808 HydrophobicContact CD2-CG1 4.03Å; M680-V808 WeakPolarHBondContact CE-O 3.32Å; I700-V808 HydrophobicContact CB-CG1 3.9Å; I700-V808 HydrophobicContact CG2-CG1 3.99Å; I703-V808 HydrophobicContact CB-CG1 4.06Å; I703-V808 HydrophobicContact CG2-CG1 3.74Å; I703-V808 HydrophobicContact CG2-CG2 4.02Å; W704-V808 HydrophobicContact CE3-CG2 4.41Å; L707-V808 HydrophobicContact CD1-CG2 4.23Å; F806-V808 HydrophobicContact CD1-CG2 3.72Å; F806-V808 HydrophobicContact CE1-CG2 3.91Å
809	V	98.8	Very high	98.3	Very high	3 Å²	3	22.8 Å²	22.8	2%	0.018	13%	0.127	C	C	.	.			trans	-115.6	159.3	-169.8	-67.7	0	0	0	0	112.9	M680 I700 A786 V790 A807	M680-V809 HydrophobicContact CE-CB 4.35Å; M680-V809 HydrophobicContact CE-CG1 4.02Å; M680-V809 HydrophobicContact SD-CB 3.9Å; M680-V809 HydrophobicContact SD-CG1 3.94Å; I700-V809 WeakPolarHBondContact CG2-O 3.24Å; A786-V809 HydrophobicContact CB-CB 3.98Å; A786-V809 HydrophobicContact CB-CG1 4.48Å; V790-V809 HydrophobicContact CG2-CG1 4.24Å; V790-V809 HydrophobicContact CG2-CG2 4.04Å; A807-V809 HydrophobicContact CB-CG1 4.01Å; A807-V809 HydrophobicContact CB-CG2 4.36Å; A807-V809 PolarHBondContact O-N 2.79Å; A807-V809 VanDerWaalsContact O-N 3.16Å
810	R	98.4	Very high	98.2	Very high	1 Å²	1	22.4 Å²	22.4	0%	0.004	13%	0.125	C	C	.	.	S	Bend	trans	-162.1	157.5	164.6	65.6	176.6	-71.6	-90	6.4	111.4	M680 H683 E695 I700	M680-R810 HydrophobicContact CB-CG 4.21Å; M680-R810 PolarHBondContact O-NH1 2.99Å; H683-R810 PolarHBondContact CD2-NH2 3.12Å; H683-R810 VanDerWaalsContact CD2-NH2 3.34Å; H683-R810 VanDerWaalsContact O-CZ 3.27Å; H683-R810 PolarHBondContact O-NH1 2.88Å; H683-R810 PolarHBondContact O-NH2 3.48Å; E695-R810 VanDerWaalsContact CD-NE 3.3Å; E695-R810 IonicContact OE1-CZ 2.69Å; E695-R810 IonicContact OE1-NE 3.81Å; E695-R810 PolarHBondContact OE1-NE 3.35Å; E695-R810 IonicContact OE1-NH2 3.53Å; E695-R810 IonicContact OE2-CZ 3.24Å; E695-R810 IonicContact OE2-NE 3.63Å; E695-R810 PolarHBondContact OE2-NE 3.06Å; E695-R810 IonicContact OE2-NH2 2.78Å; E695-R810 PolarHBondContact OE2-NH2 3.23Å; I700-R810 HydrophobicContact CD1-CG 3.81Å; I700-R810 HydrophobicContact CG1-CG 4.02Å; I700-R810 HydrophobicContact CG2-CB 4.07Å; I700-R810 HydrophobicContact CG2-CG 3.88Å
811	P	98.4	Very high	98.2	Very high	3 Å²	3	21.2 Å²	21.2	2%	0.019	11%	0.111	C	C	.	.	S	Bend	cis	-60.2	164.4	-5.8	25.5	-34.7	0	0	0	113.1	A783 F824 Y826	A783-P811 HydrophobicContact CB-CG 3.88Å; P811-F824 WeakPolarHBondContact CB-O 3.36Å; P811-Y826 HydrophobicContact CG-CD2 4.2Å
812	P	98.7	Very high	98.2	Very high	6 Å²	6	19.3 Å²	19.3	4%	0.039	10%	0.103	C	C	.	.			trans	-61.5	172.9	169.5	28.5	-35.9	0	0	0	112.1	E695 F824 C825 E985	E695-P812 HydrophobicContact CG-CG 4.42Å; P812-F824 HydrophobicContact CG-CB 3.87Å; P812-C825 WeakPolarHBondContact O-CA 3.34Å; P812-E985 HydrophobicContact CB-CB 4.34Å; P812-E985 WeakPolarHBondContact CB-OE2 3.48Å
813	G	98.7	Very high	98.1	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	11%	0.106	C	C	.	.			trans	-132.1	-30.5	-175.3	0	0	0	0	0	116.6	H815 A816 C825 F827 N828 E985	G813-H815 VanDerWaalsContact C-N 3.28Å; G813-H815 PolarHBondContact O-N 2.72Å; G813-H815 VanDerWaalsContact O-N 3.11Å; G813-A816 WeakPolarHBondContact O-CB 3.31Å; G813-A816 PolarHBondContact O-N 3.28Å; G813-C825 PolarHBondContact N-SG 3.37Å; G813-C825 VanDerWaalsContact N-SG 3.44Å; G813-F827 WeakPolarHBondContact CA-O 3.49Å; G813-N828 VanDerWaalsContact O-CA 3.31Å; G813-N828 WeakPolarHBondContact O-CA 3.44Å; G813-N828 WeakPolarHBondContact O-CB 3.36Å; G813-E985 PolarHBondContact N-OE2 3.01Å
814	H	98.8	Very high	98	Very high	3 Å²	3	18.5 Å²	18.5	1%	0.014	10%	0.101	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-24.2	-166.5	72.1	144.6	0	0	0	116.2	D850 D852 G856 G858 T859 E985	H814-D850 IonicContact CG-OD2 3.13Å; H814-D850 IonicContact ND1-OD1 3.67Å; H814-D850 PolarHBondContact ND1-OD1 3.42Å; H814-D850 IonicContact ND1-OD2 2.97Å; H814-D850 PolarHBondContact ND1-OD2 3.34Å; H814-D852 VanDerWaalsContact CE1-CB 3.42Å; H814-D852 WeakPolarHBondContact CE1-CB 3.48Å; H814-D852 IonicContact CE1-OD1 2.75Å; H814-D852 IonicContact CE1-OD2 3.21Å; H814-D852 IonicContact NE2-OD1 2.65Å; H814-D852 IonicContact NE2-OD2 2.64Å; H814-G856 WeakPolarHBondContact ND1-CA 3.37Å; H814-G856 CarbonylContact O-C 3.53Å; H814-G858 WeakPolarHBondContact O-CA 3.39Å; H814-G858 PolarHBondContact O-N 3.08Å; H814-T859 PolarHBondContact O-N 3.12Å; H814-E985 HydrophobicContact CB-CG 4.46Å; H814-E985 IonicContact CD2-OE2 2.8Å; H814-E985 IonicContact CG-OE2 3.66Å; H814-E985 PolarHBondContact N-OE2 3Å; H814-E985 VanDerWaalsContact N-OE2 3.09Å
815	H	98.8	Very high	98	Very high	6 Å²	6	18.5 Å²	18.5	3%	0.028	10%	0.101	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.7	-9.4	173.6	-63.7	-57.5	0	0	0	115	G813 E817 M822 C825 H854 H855 N857 F883	G813-H815 VanDerWaalsContact C-N 3.28Å; G813-H815 PolarHBondContact O-N 2.72Å; G813-H815 VanDerWaalsContact O-N 3.11Å; H815-E817 PolarHBondContact O-N 2.72Å; H815-M822 HydrophobicContact CB-CG 4.22Å; H815-M822 WeakPolarHBondContact CB-O 3.27Å; H815-M822 VanDerWaalsContact O-CG 3.31Å; H815-M822 WeakPolarHBondContact O-CG 3.28Å; H815-C825 HydrophobicContact CB-CB 3.96Å; H815-C825 PolarHBondContact N-SG 2.92Å; H815-H854 VanDerWaalsContact CE1-CB 3.49Å; H815-H854 WeakPolarHBondContact CE1-CB 3.32Å; H815-H855 PolarHBondContact CE1-O 3.04Å; H815-H855 PolarHBondContact ND1-O 2.87Å; H815-H855 VanDerWaalsContact ND1-O 3.1Å; H815-N857 WeakPolarHBondContact CA-OD1 3.33Å; H815-N857 PolarHBondContact ND1-OD1 3.02Å; H815-N857 PolarHBondContact O-ND2 2.92Å; H815-F883 AromaticContact CD2-CE1 3.93Å; H815-F883 AromaticContact CE1-CE1 3.76Å; H815-F883 AromaticContact NE2-CE1 3.57Å
816	A	98.6	Very high	98	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	10%	0.101	C	C	.	.			trans	-77	112.8	-178.3	0	0	0	0	0	111	H733 G813 C825 G858	H733-A816 PolarHBondContact CE1-O 3.38Å; G813-A816 WeakPolarHBondContact O-CB 3.31Å; G813-A816 PolarHBondContact O-N 3.28Å; A816-C825 HydrophobicContact CB-CB 3.83Å; A816-G858 WeakPolarHBondContact O-CA 3.44Å
817	E	98.5	Very high	98	Very high	48 Å²	48	18.8 Å²	18.8	22%	0.224	10%	0.102	C	C	.	.			trans	-82.4	175	175.6	-70.2	-169.5	-172.6	0	0	111.9	H733 H815 S819 T820 N857 Q861	H733-E817 PolarHBondContact CE1-O 2.8Å; H733-E817 PolarHBondContact ND1-O 2.89Å; H815-E817 PolarHBondContact O-N 2.72Å; E817-S819 PolarHBondContact O-N 3.4Å; E817-S819 VanDerWaalsContact O-N 3.14Å; E817-T820 PolarHBondContact N-O 2.75Å; E817-N857 WeakPolarHBondContact CG-ND2 3.26Å; E817-N857 PolarHBondContact OE1-ND2 2.78Å; E817-Q861 VanDerWaalsContact CB-OE1 3.27Å; E817-Q861 PolarHBondContact OE2-NE2 3.48Å
818	E	98.2	Very high	98	Very high	106 Å²	106	18.8 Å²	18.8	50%	0.495	10%	0.102	S	C	.	.	S	Bend	trans	-50.2	-43.1	-176.7	-174.9	-169.5	156.1	0	0	112.4	H733 S734	H733-E818 CarbonylContact C-O 3.55Å; H733-E818 WeakPolarHBondContact CA-O 3.37Å; H733-E818 VanDerWaalsContact CB-O 3.31Å; H733-E818 WeakPolarHBondContact CB-O 3.25Å; S734-E818 PolarHBondContact N-O 3.39Å
819	S	97.3	Very high	98	Very high	56 Å²	56	19 Å²	19	39%	0.392	10%	0.104	S	C	.	.	S	Bend	trans	-129.1	10.9	-175.8	-59.8	0	0	0	0	114.7	S734 E817	S734-S819 VanDerWaalsContact CB-OG 3.25Å; S734-S819 WeakPolarHBondContact CB-OG 3.43Å; S734-S819 PolarHBondContact OG-OG 3.38Å; E817-S819 PolarHBondContact O-N 3.4Å; E817-S819 VanDerWaalsContact O-N 3.14Å
820	T	96.3	Very high	98	Very high	65 Å²	65	19 Å²	19	40%	0.399	10%	0.104	S	C	.	.			trans	-134.5	116.4	-171.5	-48.8	0	0	0	0	111	E817	E817-T820 PolarHBondContact N-O 2.75Å
821	P	96.6	Very high	98	Very high	11 Å²	11	19 Å²	19	7%	0.071	10%	0.104	C	C	.	.			trans	-82.3	138.6	164.1	34.8	-31.8	0	0	0	110	Y741 V768 C825 Y826	Y741-P821 HydrophobicContact CD2-CG 4.5Å; Y741-P821 HydrophobicContact CE1-CG 4.36Å; Y741-P821 HydrophobicContact CE2-CG 3.72Å; V768-P821 HydrophobicContact CB-CG 4.1Å; V768-P821 HydrophobicContact CG1-CG 4.14Å; V768-P821 HydrophobicContact CG2-CB 4.13Å; V768-P821 HydrophobicContact CG2-CG 3.8Å; P821-C825 VanDerWaalsContact CA-O 3.31Å; P821-C825 WeakPolarHBondContact CA-O 3.44Å; P821-C825 VanDerWaalsContact CB-O 3.28Å; P821-C825 WeakPolarHBondContact CB-O 3.47Å; P821-Y826 HydrophobicContact CB-CD1 3.91Å; P821-Y826 HydrophobicContact CB-CE1 4.17Å
822	M	96.4	Very high	98.1	Very high	39 Å²	39	18.8 Å²	18.8	19%	0.192	10%	0.103	C	C	.	.	B	Isolated β-bridge	trans	-163.5	164.1	177	56.4	178.3	-76.1	0	0	110	H815 F824 C825 F883 P884	H815-M822 HydrophobicContact CB-CG 4.22Å; H815-M822 WeakPolarHBondContact CB-O 3.27Å; H815-M822 VanDerWaalsContact O-CG 3.31Å; H815-M822 WeakPolarHBondContact O-CG 3.28Å; M822-F824 VanDerWaalsContact C-N 3.34Å; M822-F824 PolarHBondContact O-N 2.79Å; M822-C825 PolarHBondContact N-O 3.43Å; M822-C825 VanDerWaalsContact O-CB 3.3Å; M822-C825 WeakPolarHBondContact O-CB 3.32Å; M822-C825 PolarHBondContact O-N 3.4Å; M822-F883 HydrophobicContact CE-CE2 3.99Å; M822-F883 HydrophobicContact CE-CZ 3.68Å; M822-P884 HydrophobicContact CE-CB 3.78Å
823	G	95.2	Very high	98.1	Very high	8 Å²	8	18.5 Å²	18.5	8%	0.082	10%	0.101	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.3	45.6	174.4	0	0	0	0	0	112.8	T772 C825	T772-G823 PolarHBondContact OG1-N 3.36Å; G823-C825 PolarHBondContact O-N 3.11Å; G823-C825 PolarHBondContact O-SG 3.24Å
824	F	97.1	Very high	98.1	Very high	34 Å²	34	18.5 Å²	18.5	15%	0.149	10%	0.101	C	C	.	.	T	Hydrogen-bonded Turn	trans	64.5	-7.9	-172.3	-36.1	-71.1	0	0	0	115.8	P694 E695 D771 T772 P811 P812 M822	P694-F824 HydrophobicContact CG-CE1 4.19Å; P694-F824 HydrophobicContact CG-CZ 3.79Å; E695-F824 HydrophobicContact CB-CB 3.99Å; E695-F824 HydrophobicContact CB-CD1 3.69Å; E695-F824 HydrophobicContact CB-CD2 4.14Å; E695-F824 HydrophobicContact CB-CE1 4.21Å; E695-F824 HydrophobicContact CB-CG 3.66Å; E695-F824 HydrophobicContact CG-CB 3.9Å; E695-F824 HydrophobicContact CG-CD2 4.47Å; E695-F824 HydrophobicContact CG-CG 4.06Å; D771-F824 HydrophobicContact CB-CD1 4.45Å; D771-F824 HydrophobicContact CB-CE1 3.79Å; D771-F824 HydrophobicContact CB-CZ 4.34Å; D771-F824 WeakPolarHBondContact O-CD1 3.45Å; T772-F824 PolarHBondContact OG1-N 2.74Å; P811-F824 WeakPolarHBondContact CB-O 3.36Å; P812-F824 HydrophobicContact CG-CB 3.87Å; M822-F824 VanDerWaalsContact C-N 3.34Å; M822-F824 PolarHBondContact O-N 2.79Å
825	C	98.4	Very high	98.1	Very high	0 Å²	0	20 Å²	20	0%	0	11%	0.107	C	C	.	.	B	Isolated β-bridge	trans	-88.7	138.2	-172.1	-60.3	0	0	0	0	112.5	P812 G813 H815 A816 P821 M822 G823	P812-C825 WeakPolarHBondContact O-CA 3.34Å; G813-C825 PolarHBondContact N-SG 3.37Å; G813-C825 VanDerWaalsContact N-SG 3.44Å; H815-C825 HydrophobicContact CB-CB 3.96Å; H815-C825 PolarHBondContact N-SG 2.92Å; A816-C825 HydrophobicContact CB-CB 3.83Å; P821-C825 VanDerWaalsContact CA-O 3.31Å; P821-C825 WeakPolarHBondContact CA-O 3.44Å; P821-C825 VanDerWaalsContact CB-O 3.28Å; P821-C825 WeakPolarHBondContact CB-O 3.47Å; M822-C825 PolarHBondContact N-O 3.43Å; M822-C825 VanDerWaalsContact O-CB 3.3Å; M822-C825 WeakPolarHBondContact O-CB 3.32Å; M822-C825 PolarHBondContact O-N 3.4Å; G823-C825 PolarHBondContact O-N 3.11Å; G823-C825 PolarHBondContact O-SG 3.24Å
826	Y	98.4	Very high	98.1	Very high	1 Å²	1	19.7 Å²	19.7	0%	0.004	11%	0.106	C	C	.	.	S	Bend	trans	-117.3	-35.7	176.8	-79.3	-81.5	0	0	0	114	H737 Y741 V768 T772 I773 W774 P811 P821	H737-Y826 PolarHBondContact NE2-O 3.33Å; Y741-Y826 AromaticContact CD1-CD1 3.76Å; Y741-Y826 HydrophobicContact CD1-CD1 3.76Å; Y741-Y826 AromaticContact CD1-CE1 3.7Å; Y741-Y826 HydrophobicContact CD1-CE1 3.7Å; Y741-Y826 HydrophobicContact CE1-CD1 4.33Å; Y741-Y826 AromaticContact CE1-CE1 3.96Å; Y741-Y826 HydrophobicContact CE1-CE1 3.96Å; Y741-Y826 AromaticContact CG-CD1 3.9Å; Y741-Y826 HydrophobicContact CG-CD1 3.9Å; Y741-Y826 HydrophobicContact CG-CE1 4.31Å; V768-Y826 HydrophobicContact CG1-CE1 4.03Å; V768-Y826 HydrophobicContact CG2-CE1 4.37Å; T772-Y826 HydrophobicContact CG2-CD2 4.31Å; T772-Y826 HydrophobicContact CG2-CE1 4.36Å; T772-Y826 HydrophobicContact CG2-CE2 3.6Å; T772-Y826 PolarHBondContact O-OH 3.19Å; I773-Y826 VanDerWaalsContact C-OH 3.31Å; I773-Y826 PolarHBondContact O-OH 2.97Å; W774-Y826 HydrophobicContact CE3-CD1 4.31Å; W774-Y826 AromaticContact CE3-CE1 3.53Å; W774-Y826 HydrophobicContact CE3-CE1 3.53Å; W774-Y826 HydrophobicContact CE3-CE2 4.4Å; W774-Y826 AromaticContact CE3-CZ 3.58Å; W774-Y826 HydrophobicContact CZ3-CD1 4.04Å; W774-Y826 AromaticContact CZ3-CE1 3.71Å; W774-Y826 HydrophobicContact CZ3-CE1 3.71Å; P811-Y826 HydrophobicContact CG-CD2 4.2Å; P821-Y826 HydrophobicContact CB-CD1 3.91Å; P821-Y826 HydrophobicContact CB-CE1 4.17Å
827	F	98.8	Very high	98.1	Very high	4 Å²	4	19.7 Å²	19.7	2%	0.018	11%	0.106	C	C	.	.	S	Bend	trans	-146.4	133.4	178.7	-64.7	-61	0	0	0	109.1	L729 H733 H737 V738 A783 R784 V787 G813 S829 I832	L729-F827 HydrophobicContact CB-CE1 4.46Å; L729-F827 HydrophobicContact CD1-CE1 4.44Å; L729-F827 HydrophobicContact CD1-CE2 4.3Å; L729-F827 HydrophobicContact CD1-CZ 4.15Å; L729-F827 HydrophobicContact CD2-CB 4.05Å; L729-F827 HydrophobicContact CD2-CD1 3.92Å; L729-F827 HydrophobicContact CD2-CD2 3.83Å; L729-F827 HydrophobicContact CD2-CE1 4.29Å; L729-F827 HydrophobicContact CD2-CE2 4.22Å; L729-F827 HydrophobicContact CD2-CG 3.68Å; L729-F827 HydrophobicContact CD2-CZ 4.42Å; H733-F827 AromaticContact CD2-CD1 3.7Å; H733-F827 WeakPolarHBondContact NE2-CA 3.37Å; H737-F827 AromaticContact CD2-CD1 3.94Å; H737-F827 AromaticContact CD2-CE1 3.58Å; H737-F827 AromaticContact NE2-CD1 3.89Å; H737-F827 AromaticContact NE2-CE1 3.84Å; V738-F827 HydrophobicContact CG2-CE1 4.11Å; A783-F827 HydrophobicContact CB-CD2 3.83Å; A783-F827 HydrophobicContact CB-CE2 4.29Å; R784-F827 HydrophobicContact CG-CD2 4.49Å; R784-F827 HydrophobicContact CG-CE2 4.07Å; V787-F827 HydrophobicContact CG2-CB 3.57Å; V787-F827 HydrophobicContact CG2-CG 4.5Å; G813-F827 WeakPolarHBondContact CA-O 3.49Å; F827-S829 PolarHBondContact O-N 3.2Å; F827-I832 HydrophobicContact CB-CD1 4.26Å
828	N	98.9	Very high	98.1	Very high	0 Å²	0	19 Å²	19	0%	0	10%	0.103	C	C	.	.			trans	-79.4	90.2	-175.3	-168.9	-32.5	0	0	0	111.1	V732 H733 G813 V830 A831 I832 T859	V732-N828 HydrophobicContact CG1-CB 4.4Å; H733-N828 PolarHBondContact NE2-N 3.33Å; G813-N828 VanDerWaalsContact O-CA 3.31Å; G813-N828 WeakPolarHBondContact O-CA 3.44Å; G813-N828 WeakPolarHBondContact O-CB 3.36Å; N828-V830 VanDerWaalsContact C-N 3.26Å; N828-V830 PolarHBondContact O-N 3.41Å; N828-V830 PolarHBondContact OD1-N 3.47Å; N828-A831 HydrophobicContact CB-CB 3.94Å; N828-A831 PolarHBondContact O-N 3.39Å; N828-A831 WeakPolarHBondContact OD1-CB 3.41Å; N828-A831 PolarHBondContact OD1-N 3.45Å; N828-I832 WeakPolarHBondContact O-CB 3.28Å; N828-I832 WeakPolarHBondContact O-CD1 3.38Å; N828-I832 WeakPolarHBondContact O-CG1 3.2Å; N828-I832 PolarHBondContact O-N 3.45Å; N828-T859 WeakPolarHBondContact ND2-CA 3.39Å; N828-T859 PolarHBondContact ND2-N 2.95Å; N828-T859 VanDerWaalsContact ND2-N 3.13Å; N828-T859 PolarHBondContact ND2-OG1 3.39Å
829	S	98.9	Very high	98.1	Very high	5 Å²	5	19.4 Å²	19.4	4%	0.035	11%	0.105	C	C	.	.	H	α-helix	trans	-57.3	-35.8	-175.3	-61.5	0	0	0	0	113.6	V787 F827 A833	V787-S829 WeakPolarHBondContact CA-OG 3.31Å; V787-S829 WeakPolarHBondContact CG2-OG 3.34Å; V787-S829 PolarHBondContact N-OG 2.93Å; F827-S829 PolarHBondContact O-N 3.2Å; S829-A833 WeakPolarHBondContact O-CB 3.36Å; S829-A833 PolarHBondContact O-N 3.46Å
830	V	98.9	Very high	98.2	Very high	3 Å²	3	21.5 Å²	21.5	2%	0.018	10%	0.104	C	C	.	.	H	α-helix	trans	-80	-45	-178.6	178.1	0	0	0	0	111.1	N828 I832 A833 A834 I848 L940 S942 A983	N828-V830 VanDerWaalsContact C-N 3.26Å; N828-V830 PolarHBondContact O-N 3.41Å; N828-V830 PolarHBondContact OD1-N 3.47Å; V830-I832 PolarHBondContact O-N 3.46Å; V830-A833 PolarHBondContact O-N 3.32Å; V830-A834 PolarHBondContact O-N 3.29Å; V830-I848 HydrophobicContact CG1-CD1 4.36Å; V830-I848 HydrophobicContact CG1-CG1 4.47Å; V830-I848 HydrophobicContact CG1-CG2 3.82Å; V830-L940 HydrophobicContact CG1-CB 3.86Å; V830-L940 HydrophobicContact CG1-CD1 3.99Å; V830-S942 WeakPolarHBondContact CG2-OG 3.32Å; V830-A983 HydrophobicContact CG2-CB 3.9Å
831	A	98.9	Very high	98.2	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-62.3	-42.1	176.2	0	0	0	0	0	112.2	V732 N828 A833 A834 K835 A862 F863	V732-A831 HydrophobicContact CG1-CB 4.28Å; V732-A831 HydrophobicContact CG2-CB 3.87Å; N828-A831 HydrophobicContact CB-CB 3.94Å; N828-A831 PolarHBondContact O-N 3.39Å; N828-A831 WeakPolarHBondContact OD1-CB 3.41Å; N828-A831 PolarHBondContact OD1-N 3.45Å; A831-A833 VanDerWaalsContact C-N 3.32Å; A831-A833 PolarHBondContact O-N 3.04Å; A831-A834 PolarHBondContact O-N 2.85Å; A831-K835 WeakPolarHBondContact O-CG 3.39Å; A831-K835 PolarHBondContact O-N 3.02Å; A831-A862 HydrophobicContact CB-CB 3.96Å; A831-F863 HydrophobicContact CB-CE2 3.65Å; A831-F863 HydrophobicContact CB-CZ 4.19Å
832	I	98.9	Very high	98.3	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-61.3	-42.9	175.5	-69.7	162.7	0	0	0	110.4	E728 L729 V732 V787 V791 F827 N828 V830 A834 K835 L836	E728-I832 VanDerWaalsContact O-CG2 3.3Å; E728-I832 WeakPolarHBondContact O-CG2 3.47Å; L729-I832 HydrophobicContact CD2-CD1 4.04Å; V732-I832 HydrophobicContact CB-CG1 3.87Å; V732-I832 HydrophobicContact CG2-CB 4.41Å; V732-I832 HydrophobicContact CG2-CG1 3.67Å; V787-I832 HydrophobicContact CG1-CB 4.03Å; V787-I832 HydrophobicContact CG1-CD1 3.69Å; V787-I832 HydrophobicContact CG1-CG1 4.48Å; V787-I832 HydrophobicContact CG1-CG2 3.65Å; V787-I832 HydrophobicContact CG2-CD1 4.05Å; V791-I832 HydrophobicContact CG2-CG2 4.24Å; F827-I832 HydrophobicContact CB-CD1 4.26Å; N828-I832 WeakPolarHBondContact O-CB 3.28Å; N828-I832 WeakPolarHBondContact O-CD1 3.38Å; N828-I832 WeakPolarHBondContact O-CG1 3.2Å; N828-I832 PolarHBondContact O-N 3.45Å; V830-I832 PolarHBondContact O-N 3.46Å; I832-A834 VanDerWaalsContact C-N 3.34Å; I832-A834 PolarHBondContact O-N 3.33Å; I832-K835 PolarHBondContact O-N 3.36Å; I832-L836 HydrophobicContact CG2-CD1 3.77Å; I832-L836 HydrophobicContact CG2-CG 4.37Å; I832-L836 WeakPolarHBondContact O-CB 3.47Å; I832-L836 WeakPolarHBondContact O-CG 3.49Å; I832-L836 PolarHBondContact O-N 3.3Å
833	A	98.9	Very high	98.3	Very high	0 Å²	0	27 Å²	27	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-61.8	-41.9	176.6	0	0	0	0	0	111.9	V790 V791 V794 S829 V830 A831 L836 L837 L940	V790-A833 HydrophobicContact CG1-CB 4.07Å; V791-A833 HydrophobicContact CG2-CB 4.21Å; V794-A833 HydrophobicContact CB-CB 4.19Å; V794-A833 HydrophobicContact CG1-CB 4.15Å; V794-A833 HydrophobicContact CG2-CB 4.02Å; S829-A833 WeakPolarHBondContact O-CB 3.36Å; S829-A833 PolarHBondContact O-N 3.46Å; V830-A833 PolarHBondContact O-N 3.32Å; A831-A833 VanDerWaalsContact C-N 3.32Å; A831-A833 PolarHBondContact O-N 3.04Å; A833-L836 PolarHBondContact O-N 3.01Å; A833-L837 WeakPolarHBondContact O-CG 3.2Å; A833-L837 PolarHBondContact O-N 2.95Å; A833-L940 HydrophobicContact CB-CD1 4.44Å
834	A	98.9	Very high	98.4	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-64.8	-47	175.6	0	0	0	0	0	113.1	V830 A831 I832 L836 L837 Q838 I846 I848 F863 L940	V830-A834 PolarHBondContact O-N 3.29Å; A831-A834 PolarHBondContact O-N 2.85Å; I832-A834 VanDerWaalsContact C-N 3.34Å; I832-A834 PolarHBondContact O-N 3.33Å; A834-L836 VanDerWaalsContact C-N 3.26Å; A834-L836 PolarHBondContact O-N 3.36Å; A834-L837 WeakPolarHBondContact O-CB 3.41Å; A834-L837 PolarHBondContact O-N 2.76Å; A834-L837 VanDerWaalsContact O-N 3.12Å; A834-Q838 PolarHBondContact O-N 2.89Å; A834-I846 HydrophobicContact CB-CD1 3.97Å; A834-I846 HydrophobicContact CB-CG2 4.26Å; A834-I846 WeakPolarHBondContact O-CD1 3.44Å; A834-I848 HydrophobicContact CB-CD1 4.03Å; A834-F863 HydrophobicContact CB-CE1 4.27Å; A834-F863 HydrophobicContact CB-CE2 4.34Å; A834-F863 HydrophobicContact CB-CZ 3.64Å; A834-L940 HydrophobicContact CB-CD1 3.92Å
835	K	98.8	Very high	98.5	Very high	33 Å²	33	31.5 Å²	31.5	14%	0.143	16%	0.157	C	C	.	.	H	α-helix	trans	-58	-40	174.9	-67.2	-66	179.6	-161.9	0	111.7	V732 A831 I832 Q838 Q839 A862 F863 D866	V732-K835 HydrophobicContact CG2-CG 3.7Å; A831-K835 WeakPolarHBondContact O-CG 3.39Å; A831-K835 PolarHBondContact O-N 3.02Å; I832-K835 PolarHBondContact O-N 3.36Å; K835-Q838 PolarHBondContact O-N 2.8Å; K835-Q839 WeakPolarHBondContact O-CB 3.39Å; K835-Q839 WeakPolarHBondContact O-CG 3.48Å; K835-Q839 PolarHBondContact O-N 3.46Å; K835-A862 WeakPolarHBondContact CE-O 3.49Å; K835-A862 PolarHBondContact NZ-O 2.93Å; K835-F863 HydrophobicContact CD-CE1 3.65Å; K835-F863 HydrophobicContact CD-CZ 4.02Å; K835-F863 HydrophobicContact CG-CE1 4.13Å; K835-F863 HydrophobicContact CG-CZ 3.98Å; K835-F863 VanDerWaalsContact NZ-CD1 3.29Å; K835-D866 IonicContact NZ-OD2 2.69Å
836	L	98.9	Very high	98.5	Very high	1 Å²	1	31.5 Å²	31.5	1%	0.005	16%	0.157	C	C	.	.	H	α-helix	trans	-70.4	-33.8	177	-67.9	172.5	0	0	0	113	E728 T731 V791 F795 I832 A833 A834 Q839 R840	E728-L836 HydrophobicContact CB-CD1 4.03Å; E728-L836 HydrophobicContact CG-CD1 3.78Å; E728-L836 HydrophobicContact CG-CD2 4.09Å; T731-L836 HydrophobicContact CG2-CD2 3.8Å; T731-L836 HydrophobicContact CG2-CG 4.34Å; V791-L836 HydrophobicContact CG1-CD1 3.94Å; V791-L836 HydrophobicContact CG2-CD1 3.8Å; F795-L836 HydrophobicContact CE2-CB 3.76Å; F795-L836 HydrophobicContact CZ-CB 3.92Å; F795-L836 WeakPolarHBondContact CZ-O 3.3Å; I832-L836 HydrophobicContact CG2-CD1 3.77Å; I832-L836 HydrophobicContact CG2-CG 4.37Å; I832-L836 WeakPolarHBondContact O-CB 3.47Å; I832-L836 WeakPolarHBondContact O-CG 3.49Å; I832-L836 PolarHBondContact O-N 3.3Å; A833-L836 PolarHBondContact O-N 3.01Å; A834-L836 VanDerWaalsContact C-N 3.26Å; A834-L836 PolarHBondContact O-N 3.36Å; L836-Q839 PolarHBondContact O-N 2.82Å; L836-R840 VanDerWaalsContact O-CB 3.28Å; L836-R840 WeakPolarHBondContact O-CB 3.49Å; L836-R840 PolarHBondContact O-N 3.18Å
837	L	98.8	Very high	98.6	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-62.6	-44.9	171.5	-76.5	-177.1	0	0	0	111.8	V794 F795 A798 A833 A834 L841 N842 V843 I846 V938	V794-L837 HydrophobicContact CG1-CD1 3.6Å; V794-L837 HydrophobicContact CG1-CD2 3.96Å; V794-L837 HydrophobicContact CG1-CG 3.8Å; F795-L837 HydrophobicContact CD2-CD2 4.3Å; F795-L837 HydrophobicContact CE2-CD2 4.14Å; F795-L837 HydrophobicContact CZ-CD2 4.46Å; A798-L837 HydrophobicContact CB-CD2 3.57Å; A833-L837 WeakPolarHBondContact O-CG 3.2Å; A833-L837 PolarHBondContact O-N 2.95Å; A834-L837 WeakPolarHBondContact O-CB 3.41Å; A834-L837 PolarHBondContact O-N 2.76Å; A834-L837 VanDerWaalsContact O-N 3.12Å; L837-L841 HydrophobicContact CD2-CD1 3.85Å; L837-L841 CarbonylContact O-C 3.5Å; L837-L841 WeakPolarHBondContact O-CA 3.35Å; L837-L841 PolarHBondContact O-N 2.9Å; L837-L841 VanDerWaalsContact O-N 3.1Å; L837-N842 PolarHBondContact O-N 3.03Å; L837-N842 VanDerWaalsContact O-N 3.16Å; L837-V843 HydrophobicContact CB-CB 4.2Å; L837-V843 HydrophobicContact CB-CG2 3.9Å; L837-V843 HydrophobicContact CD2-CG2 4.22Å; L837-V843 HydrophobicContact CG-CG2 4.46Å; L837-V843 PolarHBondContact O-N 3.01Å; L837-I846 HydrophobicContact CB-CD1 3.74Å; L837-I846 HydrophobicContact CD1-CD1 4.09Å; L837-V938 HydrophobicContact CD1-CB 4.28Å; L837-V938 HydrophobicContact CD1-CG1 3.98Å; L837-V938 HydrophobicContact CD1-CG2 4.36Å
838	Q	98.7	Very high	98.6	Very high	34 Å²	34	31.2 Å²	31.2	16%	0.159	16%	0.156	C	C	.	.	H	α-helix	trans	-58.5	-54.9	173.1	-65.9	170.6	-55.8	0	0	110.4	A834 K835 N842 I846 D866 S868	A834-Q838 PolarHBondContact O-N 2.89Å; K835-Q838 PolarHBondContact O-N 2.8Å; Q838-N842 VanDerWaalsContact O-CA 3.26Å; Q838-N842 WeakPolarHBondContact O-CA 3.28Å; Q838-N842 PolarHBondContact O-N 3.37Å; Q838-N842 VanDerWaalsContact O-N 3.12Å; Q838-I846 HydrophobicContact CG-CD1 3.98Å; Q838-D866 PolarHBondContact NE2-OD2 3.39Å; Q838-S868 PolarHBondContact NE2-OG 3.49Å
839	Q	98.4	Very high	98.6	Very high	113 Å²	113	31.2 Å²	31.2	53%	0.528	16%	0.156	S	C	.	.	H	α-helix	trans	-70.4	-34.5	-171.7	-70.1	169.6	4.9	0	0	114.9	T731 K835 L836	T731-Q839 VanDerWaalsContact CG2-OE1 3.29Å; K835-Q839 WeakPolarHBondContact O-CB 3.39Å; K835-Q839 WeakPolarHBondContact O-CG 3.48Å; K835-Q839 PolarHBondContact O-N 3.46Å; L836-Q839 PolarHBondContact O-N 2.82Å
840	R	98.4	Very high	98.6	Very high	101 Å²	101	31 Å²	31	38%	0.381	16%	0.155	S	C	.	.	H	α-helix	trans	-106.5	-26.1	-171.5	-60.9	-178.3	173.1	163	-0.6	114.2	E728 F795 L836	E728-R840 VanDerWaalsContact CG-NH2 3.33Å; E728-R840 IonicContact OE1-CZ 3.63Å; E728-R840 IonicContact OE1-NH1 2.84Å; E728-R840 PolarHBondContact OE1-NH1 3.49Å; E728-R840 IonicContact OE1-NH2 3.88Å; E728-R840 PolarHBondContact OE1-NH2 3.31Å; F795-R840 HydrophobicContact CE1-CB 3.92Å; F795-R840 HydrophobicContact CZ-CB 3.95Å; F795-R840 HydrophobicContact CZ-CG 4.39Å; L836-R840 VanDerWaalsContact O-CB 3.28Å; L836-R840 WeakPolarHBondContact O-CB 3.49Å; L836-R840 PolarHBondContact O-N 3.18Å
841	L	97.7	Very high	98.6	Very high	71 Å²	71	30.9 Å²	30.9	37%	0.372	15%	0.154	S	C	.	.	H	α-helix	trans	-119.2	-4.5	-178.7	-64.2	-178.3	0	0	0	113.3	F795 A798 T799 L837 V843	F795-L841 HydrophobicContact CD1-CD1 3.96Å; F795-L841 HydrophobicContact CD1-CG 4.37Å; F795-L841 HydrophobicContact CE1-CD1 3.96Å; F795-L841 HydrophobicContact CE1-CG 3.92Å; A798-L841 HydrophobicContact CB-CD1 3.91Å; T799-L841 HydrophobicContact CG2-CD1 4.39Å; L837-L841 HydrophobicContact CD2-CD1 3.85Å; L837-L841 CarbonylContact O-C 3.5Å; L837-L841 WeakPolarHBondContact O-CA 3.35Å; L837-L841 PolarHBondContact O-N 2.9Å; L837-L841 VanDerWaalsContact O-N 3.1Å; L841-V843 HydrophobicContact CB-CG2 4Å; L841-V843 PolarHBondContact O-N 2.83Å
842	N	97.1	Very high	98.6	Very high	136 Å²	136	30.9 Å²	30.9	73%	0.727	15%	0.154	S	C	*	.			trans	54.5	37.3	-177.5	-53.8	-76.9	0	0	0	113.1	L837 Q838 S844	L837-N842 PolarHBondContact O-N 3.03Å; L837-N842 VanDerWaalsContact O-N 3.16Å; Q838-N842 VanDerWaalsContact O-CA 3.26Å; Q838-N842 WeakPolarHBondContact O-CA 3.28Å; Q838-N842 PolarHBondContact O-N 3.37Å; Q838-N842 VanDerWaalsContact O-N 3.12Å; N842-S844 PolarHBondContact O-N 3.18Å
843	V	98	Very high	98.6	Very high	22 Å²	22	30.9 Å²	30.9	13%	0.133	15%	0.154	C	C	.	.			trans	-62.2	124.4	174.9	-177.7	0	0	0	0	108.6	L837 L841 I846 D937 V938	L837-V843 HydrophobicContact CB-CB 4.2Å; L837-V843 HydrophobicContact CB-CG2 3.9Å; L837-V843 HydrophobicContact CD2-CG2 4.22Å; L837-V843 HydrophobicContact CG-CG2 4.46Å; L837-V843 PolarHBondContact O-N 3.01Å; L841-V843 HydrophobicContact CB-CG2 4Å; L841-V843 PolarHBondContact O-N 2.83Å; V843-I846 HydrophobicContact CB-CD1 4.44Å; V843-I846 HydrophobicContact CB-CG1 4.3Å; V843-I846 HydrophobicContact CG1-CD1 4.36Å; V843-I846 HydrophobicContact CG1-CG1 3.72Å; V843-D937 HydrophobicContact CG1-CB 3.64Å; V843-V938 HydrophobicContact CG1-CB 4.47Å; V843-V938 HydrophobicContact CG1-CG2 4.03Å
844	S	97	Very high	98.6	Very high	69 Å²	69	31.6 Å²	31.6	48%	0.483	16%	0.157	S	C	.	.	S	Bend	trans	-86.6	-29.2	-165.2	77.8	0	0	0	0	113.6	N842 S868 D937	N842-S844 PolarHBondContact O-N 3.18Å; S844-S868 WeakPolarHBondContact O-CB 3.19Å; S844-D937 WeakPolarHBondContact CA-OD2 3.45Å; S844-D937 WeakPolarHBondContact CB-OD2 3.36Å; S844-D937 PolarHBondContact N-OD2 2.86Å; S844-D937 PolarHBondContact OG-OD2 3.21Å
845	K	98.8	Very high	98.6	Very high	68 Å²	68	31.7 Å²	31.7	30%	0.296	16%	0.157	S	C	.	.			trans	-142.6	114.1	179.3	-68.1	-175.5	-62.4	171.6	0	111	S868 F934 A935 D937	K845-S868 CarbonylContact C-O 3.51Å; K845-S868 WeakPolarHBondContact CA-O 3.41Å; K845-F934 HydrophobicContact CB-CE1 3.87Å; K845-F934 HydrophobicContact CB-CE2 4.28Å; K845-F934 HydrophobicContact CB-CZ 3.66Å; K845-F934 HydrophobicContact CD-CD2 4.42Å; K845-F934 HydrophobicContact CD-CE2 4.16Å; K845-F934 HydrophobicContact CD-CZ 4.38Å; K845-F934 WeakPolarHBondContact CD-O 3.27Å; K845-F934 WeakPolarHBondContact CE-O 3.48Å; K845-F934 HydrophobicContact CG-CE2 4.15Å; K845-F934 HydrophobicContact CG-CZ 4.01Å; K845-F934 PolarHBondContact NZ-O 3.29Å; K845-A935 WeakPolarHBondContact CE-O 3.29Å; K845-A935 PolarHBondContact NZ-O 2.99Å; K845-D937 PolarHBondContact N-OD2 3.1Å; K845-D937 WeakPolarHBondContact O-CB 3.21Å; K845-D937 PolarHBondContact O-N 2.97Å
846	I	98.9	Very high	98.6	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	130.1	176.3	-54.1	174.1	0	0	0	108.5	A834 L837 Q838 V843 I848 S868 V869 L870 F934 L940	A834-I846 HydrophobicContact CB-CD1 3.97Å; A834-I846 HydrophobicContact CB-CG2 4.26Å; A834-I846 WeakPolarHBondContact O-CD1 3.44Å; L837-I846 HydrophobicContact CB-CD1 3.74Å; L837-I846 HydrophobicContact CD1-CD1 4.09Å; Q838-I846 HydrophobicContact CG-CD1 3.98Å; V843-I846 HydrophobicContact CB-CD1 4.44Å; V843-I846 HydrophobicContact CB-CG1 4.3Å; V843-I846 HydrophobicContact CG1-CD1 4.36Å; V843-I846 HydrophobicContact CG1-CG1 3.72Å; I846-I848 HydrophobicContact CG2-CG1 4.3Å; I846-S868 PolarHBondContact N-O 3.32Å; I846-V869 HydrophobicContact CB-CG1 4.36Å; I846-V869 HydrophobicContact CB-CG2 4.16Å; I846-V869 HydrophobicContact CD1-CG2 4.45Å; I846-V869 CarbonylContact O-C 3.59Å; I846-V869 VanDerWaalsContact O-CA 3.3Å; I846-V869 WeakPolarHBondContact O-CA 3.39Å; I846-L870 PolarHBondContact O-N 3.4Å; I846-F934 WeakPolarHBondContact O-CE1 3.37Å; I846-L940 HydrophobicContact CG2-CD1 4.23Å; I846-L940 HydrophobicContact CG2-CG 4.22Å
847	L	98.9	Very high	98.6	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	128.7	167.3	168.2	63.2	0	0	0	108.4	V849 L870 L872 A931 F934 P936 V938 V939 L940 L975	L847-V849 HydrophobicContact CD1-CG2 3.94Å; L847-V849 HydrophobicContact CD2-CG2 3.93Å; L847-V849 HydrophobicContact CG-CG2 3.87Å; L847-L870 HydrophobicContact CD1-CB 4.26Å; L847-L870 HydrophobicContact CD1-CD2 3.85Å; L847-L870 HydrophobicContact CD1-CG 3.81Å; L847-L872 HydrophobicContact CD1-CB 4.28Å; L847-L872 HydrophobicContact CD1-CD1 3.79Å; L847-A931 HydrophobicContact CD2-CB 3.74Å; L847-F934 HydrophobicContact CB-CE1 4.44Å; L847-P936 HydrophobicContact CB-CB 3.66Å; L847-P936 HydrophobicContact CB-CG 3.73Å; L847-P936 HydrophobicContact CD2-CG 4.1Å; L847-V938 PolarHBondContact N-O 3.41Å; L847-V939 HydrophobicContact CB-CG1 4.39Å; L847-V939 HydrophobicContact CB-CG2 4.27Å; L847-V939 HydrophobicContact CD2-CG1 3.95Å; L847-V939 HydrophobicContact CD2-CG2 4.06Å; L847-V939 HydrophobicContact CG-CG1 4.08Å; L847-V939 CarbonylContact O-C 3.59Å; L847-V939 WeakPolarHBondContact O-CA 3.31Å; L847-L940 PolarHBondContact O-N 3.37Å; L847-L975 HydrophobicContact CD2-CD1 3.71Å
848	I	99	Very high	98.6	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	113.4	166.1	-53.6	175	0	0	0	107.6	V830 A834 I846 T859 F863 V869 L870 Y871 L872 L940	V830-I848 HydrophobicContact CG1-CD1 4.36Å; V830-I848 HydrophobicContact CG1-CG1 4.47Å; V830-I848 HydrophobicContact CG1-CG2 3.82Å; A834-I848 HydrophobicContact CB-CD1 4.03Å; I846-I848 HydrophobicContact CG2-CG1 4.3Å; I848-T859 HydrophobicContact CD1-CG2 3.96Å; I848-T859 HydrophobicContact CG2-CG2 4.05Å; I848-F863 HydrophobicContact CD1-CD2 4.04Å; I848-F863 HydrophobicContact CD1-CE2 3.69Å; I848-F863 HydrophobicContact CD1-CZ 4.33Å; I848-V869 HydrophobicContact CD1-CG1 3.69Å; I848-V869 HydrophobicContact CG1-CG1 3.94Å; I848-L870 PolarHBondContact N-O 2.88Å; I848-Y871 HydrophobicContact CB-CD2 4.18Å; I848-Y871 HydrophobicContact CG2-CD2 4.05Å; I848-Y871 HydrophobicContact CG2-CE2 4.35Å; I848-L872 PolarHBondContact O-N 3.37Å; I848-L940 WeakPolarHBondContact CA-O 3.44Å; I848-L940 HydrophobicContact CG1-CB 4.38Å
849	V	98.9	Very high	98.6	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	133	167.8	-177.8	0	0	0	0	108.4	L847 L872 L874 F923 V927 L940 V941 S942 L972	L847-V849 HydrophobicContact CD1-CG2 3.94Å; L847-V849 HydrophobicContact CD2-CG2 3.93Å; L847-V849 HydrophobicContact CG-CG2 3.87Å; V849-L872 CarbonylContact C-O 3.35Å; V849-L872 WeakPolarHBondContact CA-O 3.38Å; V849-L872 HydrophobicContact CG2-CB 4.47Å; V849-L874 HydrophobicContact CG1-CD1 3.98Å; V849-F923 HydrophobicContact CG1-CZ 4.38Å; V849-V927 HydrophobicContact CG2-CG1 4.47Å; V849-L940 PolarHBondContact N-O 3.02Å; V849-V941 HydrophobicContact CB-CG2 4.46Å; V849-V941 CarbonylContact O-C 3.52Å; V849-V941 WeakPolarHBondContact O-CA 3.41Å; V849-S942 PolarHBondContact O-N 3.14Å; V849-L972 HydrophobicContact CB-CD1 4.15Å; V849-L972 HydrophobicContact CG1-CD1 4.31Å; V849-L972 HydrophobicContact CG2-CD1 4.04Å; V849-L972 HydrophobicContact CG2-CD2 3.92Å
850	D	98.9	Very high	98.6	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	116.3	174.8	-164.1	-9.7	0	0	0	108.1	H814 D852 G856 Y871 L872 S873 L874 S942	H814-D850 IonicContact CG-OD2 3.13Å; H814-D850 IonicContact ND1-OD1 3.67Å; H814-D850 PolarHBondContact ND1-OD1 3.42Å; H814-D850 IonicContact ND1-OD2 2.97Å; H814-D850 PolarHBondContact ND1-OD2 3.34Å; D850-D852 PolarHBondContact OD1-N 2.65Å; D850-G856 WeakPolarHBondContact OD2-CA 3.23Å; D850-G856 PolarHBondContact OD2-N 3.47Å; D850-Y871 HydrophobicContact CB-CE2 3.64Å; D850-Y871 WeakPolarHBondContact CB-OH 3.35Å; D850-Y871 PolarHBondContact OD2-OH 2.96Å; D850-L872 PolarHBondContact N-O 2.98Å; D850-S873 CarbonylContact O-C 3.51Å; D850-S873 WeakPolarHBondContact O-CA 3.39Å; D850-L874 PolarHBondContact O-N 3.3Å; D850-S942 VanDerWaalsContact CG-CB 3.49Å; D850-S942 VanDerWaalsContact OD1-CB 3.29Å; D850-S942 WeakPolarHBondContact OD1-CB 3.37Å
851	W	98.9	Very high	98.6	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	12%	0.123	C	C	.	.			trans	-120.2	11.4	-178	69.4	35.1	0	0	0	113.1	F923 V941 S942 S943 G944 F945 F965 L968 T969 L972 L982	W851-F923 HydrophobicContact CE3-CZ 4.23Å; W851-V941 HydrophobicContact CD2-CG1 3.75Å; W851-V941 HydrophobicContact CE3-CG1 3.88Å; W851-V941 HydrophobicContact CG-CG1 4.37Å; W851-V941 HydrophobicContact CH2-CG1 4.03Å; W851-V941 HydrophobicContact CZ2-CG1 3.91Å; W851-V941 HydrophobicContact CZ3-CG1 4.02Å; W851-S942 PolarHBondContact N-O 2.88Å; W851-S942 VanDerWaalsContact N-O 3.13Å; W851-S943 PolarHBondContact NE1-OG 3.42Å; W851-G944 PolarHBondContact NE1-O 3.35Å; W851-F945 HydrophobicContact CZ2-CE1 4.5Å; W851-F945 AromaticContact NE1-CE1 3.93Å; W851-F965 HydrophobicContact CB-CE1 4.47Å; W851-F965 AromaticContact CD1-CE1 3.51Å; W851-F965 AromaticContact CD2-CD1 3.96Å; W851-F965 HydrophobicContact CD2-CD1 3.96Å; W851-F965 AromaticContact CD2-CE1 3.99Å; W851-F965 HydrophobicContact CD2-CE1 3.99Å; W851-F965 AromaticContact CE2-CD1 3.56Å; W851-F965 AromaticContact CE2-CE1 3.87Å; W851-F965 HydrophobicContact CG-CD1 4.27Å; W851-F965 AromaticContact CG-CE1 3.79Å; W851-F965 HydrophobicContact CG-CE1 3.79Å; W851-F965 AromaticContact CZ2-CD1 3.91Å; W851-F965 HydrophobicContact CZ2-CD1 3.91Å; W851-F965 AromaticContact NE1-CD1 3.57Å; W851-F965 AromaticContact NE1-CE1 3.52Å; W851-L968 HydrophobicContact CE3-CB 4.07Å; W851-L968 HydrophobicContact CE3-CD1 4.29Å; W851-L968 HydrophobicContact CH2-CB 4.38Å; W851-L968 HydrophobicContact CZ3-CB 3.65Å; W851-T969 WeakPolarHBondContact CH2-OG1 3.28Å; W851-L972 HydrophobicContact CE3-CD1 4.39Å; W851-L972 HydrophobicContact CZ3-CD1 3.83Å; W851-L982 HydrophobicContact CH2-CD2 4.02Å; W851-L982 HydrophobicContact CH2-CG 4.39Å; W851-L982 HydrophobicContact CZ2-CD2 3.85Å; W851-L982 HydrophobicContact CZ2-CG 4.27Å
852	D	98.9	Very high	98.7	Very high	1 Å²	1	20.9 Å²	20.9	1%	0.005	11%	0.114	C	C	.	.	S	Bend	trans	-56.3	148.6	161.7	-164	-73.4	0	0	0	109.5	H814 D850 H854 G944 G986	H814-D852 VanDerWaalsContact CE1-CB 3.42Å; H814-D852 WeakPolarHBondContact CE1-CB 3.48Å; H814-D852 IonicContact CE1-OD1 2.75Å; H814-D852 IonicContact CE1-OD2 3.21Å; H814-D852 IonicContact NE2-OD1 2.65Å; H814-D852 IonicContact NE2-OD2 2.64Å; D850-D852 PolarHBondContact OD1-N 2.65Å; D852-H854 PolarHBondContact O-N 2.94Å; D852-H854 IonicContact OD1-CE1 2.7Å; D852-H854 IonicContact OD1-CG 2.67Å; D852-H854 PolarHBondContact OD1-N 3.26Å; D852-H854 IonicContact OD1-ND1 3.15Å; D852-H854 PolarHBondContact OD1-ND1 2.96Å; D852-G944 WeakPolarHBondContact OD2-CA 3.5Å; D852-G986 WeakPolarHBondContact OD2-CA 3.14Å; D852-G986 PolarHBondContact OD2-N 2.76Å
853	V	98.8	Very high	98.8	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	8%	0.081	C	C	.	.	S	Bend	trans	-70.8	-14.7	-177.3	79.4	0	0	0	0	112.3	H875 R876 F882 D946 A947 Y958	V853-H875 WeakPolarHBondContact O-CB 3.26Å; V853-R876 HydrophobicContact CG2-CB 4.04Å; V853-R876 PolarHBondContact O-N 3.16Å; V853-F882 HydrophobicContact CG1-CE1 4.26Å; V853-F882 HydrophobicContact CG1-CZ 4.4Å; V853-D946 HydrophobicContact CB-CB 4.46Å; V853-D946 HydrophobicContact CG1-CB 3.74Å; V853-D946 WeakPolarHBondContact CG1-OD1 3.38Å; V853-D946 PolarHBondContact N-OD1 2.97Å; V853-D946 VanDerWaalsContact N-OD1 3.07Å; V853-A947 HydrophobicContact CB-CB 4.06Å; V853-A947 HydrophobicContact CG2-CB 4.1Å; V853-Y958 HydrophobicContact CG2-CD2 3.74Å; V853-Y958 HydrophobicContact CG2-CE2 4.03Å; V853-Y958 HydrophobicContact CG2-CG 4.26Å
854	H	98.9	Very high	98.8	Very high	15 Å²	15	16.5 Å²	16.5	7%	0.069	9%	0.086	C	C	.	.	S	Bend	trans	-102	146.7	176.8	-42.7	88.2	0	0	0	111.1	H815 D852 G856 F882 F883 D946	H815-H854 VanDerWaalsContact CE1-CB 3.49Å; H815-H854 WeakPolarHBondContact CE1-CB 3.32Å; D852-H854 PolarHBondContact O-N 2.94Å; D852-H854 IonicContact OD1-CE1 2.7Å; D852-H854 IonicContact OD1-CG 2.67Å; D852-H854 PolarHBondContact OD1-N 3.26Å; D852-H854 IonicContact OD1-ND1 3.15Å; D852-H854 PolarHBondContact OD1-ND1 2.96Å; H854-G856 PolarHBondContact O-N 3.41Å; H854-F882 AromaticContact CD2-CE1 3.31Å; H854-F882 WeakPolarHBondContact CD2-CE1 3.29Å; H854-F882 AromaticContact CD2-CZ 3.66Å; H854-F882 AromaticContact NE2-CE1 3.75Å; H854-F882 AromaticContact NE2-CZ 3.6Å; H854-F883 HydrophobicContact CB-CD1 4.46Å; H854-F883 AromaticContact CD2-CD1 3.95Å; H854-D946 IonicContact CE1-OD2 3.16Å; H854-D946 PolarHBondContact CE1-OD2 2.72Å; H854-D946 IonicContact ND1-OD2 2.75Å
855	H	98.9	Very high	98.9	Very high	1 Å²	1	17.6 Å²	17.6	1%	0.005	9%	0.089	C	C	.	.			trans	-69.1	124.3	176.5	171.6	-128.8	0	0	0	111.9	H815 N857 Q860 Y871 H875 P884 S886 G887	H815-H855 PolarHBondContact CE1-O 3.04Å; H815-H855 PolarHBondContact ND1-O 2.87Å; H815-H855 VanDerWaalsContact ND1-O 3.1Å; H855-N857 PolarHBondContact O-N 3.07Å; H855-N857 PolarHBondContact O-OD1 3.24Å; H855-Q860 VanDerWaalsContact CE1-CD 3.49Å; H855-Q860 PolarHBondContact CE1-NE2 3.19Å; H855-Q860 PolarHBondContact NE2-OE1 3.43Å; H855-Y871 AromaticContact NE2-CE1 3.8Å; H855-H875 HydrophobicContact CB-CB 4.29Å; H855-H875 AromaticContact CD2-CE1 3.84Å; H855-H875 AromaticContact CD2-ND1 3.88Å; H855-H875 AromaticContact CG-CE1 3.92Å; H855-P884 HydrophobicContact CB-CG 4.22Å; H855-P884 WeakPolarHBondContact O-CG 3.42Å; H855-S886 VanDerWaalsContact ND1-C 3.28Å; H855-S886 PolarHBondContact ND1-O 3.26Å; H855-S886 PolarHBondContact ND1-OG 3.33Å; H855-S886 VanDerWaalsContact ND1-OG 3.08Å; H855-G887 VanDerWaalsContact CE1-CA 3.5Å; H855-G887 WeakPolarHBondContact CE1-CA 3.3Å; H855-G887 WeakPolarHBondContact ND1-CA 3.46Å; H855-G887 PolarHBondContact ND1-N 3.02Å
856	G	98.8	Very high	98.9	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	8%	0.083	C	C	.	.			trans	-74.1	66.7	174.5	0	0	0	0	0	113.6	H814 D850 H854 G858 T859 Q860 Y871	H814-G856 WeakPolarHBondContact ND1-CA 3.37Å; H814-G856 CarbonylContact O-C 3.53Å; D850-G856 WeakPolarHBondContact OD2-CA 3.23Å; D850-G856 PolarHBondContact OD2-N 3.47Å; H854-G856 PolarHBondContact O-N 3.41Å; G856-G858 PolarHBondContact O-N 3.46Å; G856-G858 VanDerWaalsContact O-N 3.14Å; G856-T859 WeakPolarHBondContact O-CA 3.21Å; G856-T859 WeakPolarHBondContact O-CB 3.27Å; G856-T859 PolarHBondContact O-N 3.42Å; G856-Q860 PolarHBondContact O-N 3.12Å; G856-Y871 VanDerWaalsContact CA-OH 3.25Å; G856-Y871 WeakPolarHBondContact CA-OH 3.42Å; G856-Y871 PolarHBondContact N-OH 2.72Å; G856-Y871 VanDerWaalsContact N-OH 3.17Å; G856-Y871 PolarHBondContact O-OH 2.73Å
857	N	98.9	Very high	98.9	Very high	6 Å²	6	18.1 Å²	18.1	3%	0.032	10%	0.098	C	C	.	.	H	α-helix	trans	-50.4	-36.8	-178.2	60.6	-69	0	0	0	114.3	H815 E817 H855 Q861 P884	H815-N857 WeakPolarHBondContact CA-OD1 3.33Å; H815-N857 PolarHBondContact ND1-OD1 3.02Å; H815-N857 PolarHBondContact O-ND2 2.92Å; E817-N857 WeakPolarHBondContact CG-ND2 3.26Å; E817-N857 PolarHBondContact OE1-ND2 2.78Å; H855-N857 PolarHBondContact O-N 3.07Å; H855-N857 PolarHBondContact O-OD1 3.24Å; N857-Q861 WeakPolarHBondContact O-CB 3.45Å; N857-Q861 PolarHBondContact O-N 2.8Å; N857-P884 HydrophobicContact CB-CG 4.23Å
858	G	98.8	Very high	98.9	Very high	1 Å²	1	19.8 Å²	19.8	1%	0.01	11%	0.11	C	C	.	.	H	α-helix	trans	-68.8	-34.8	175.6	0	0	0	0	0	113.2	H814 A816 G856 A862	H814-G858 WeakPolarHBondContact O-CA 3.39Å; H814-G858 PolarHBondContact O-N 3.08Å; A816-G858 WeakPolarHBondContact O-CA 3.44Å; G856-G858 PolarHBondContact O-N 3.46Å; G856-G858 VanDerWaalsContact O-N 3.14Å; G858-A862 WeakPolarHBondContact O-CB 3.47Å; G858-A862 PolarHBondContact O-N 3.03Å; G858-A862 VanDerWaalsContact O-N 3.11Å
859	T	98.9	Very high	98.9	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-71.1	-44.4	174.9	-50.8	0	0	0	0	110.8	H814 N828 I848 G856 Q861 A862 F863 Y871	H814-T859 PolarHBondContact O-N 3.12Å; N828-T859 WeakPolarHBondContact ND2-CA 3.39Å; N828-T859 PolarHBondContact ND2-N 2.95Å; N828-T859 VanDerWaalsContact ND2-N 3.13Å; N828-T859 PolarHBondContact ND2-OG1 3.39Å; I848-T859 HydrophobicContact CD1-CG2 3.96Å; I848-T859 HydrophobicContact CG2-CG2 4.05Å; G856-T859 WeakPolarHBondContact O-CA 3.21Å; G856-T859 WeakPolarHBondContact O-CB 3.27Å; G856-T859 PolarHBondContact O-N 3.42Å; T859-Q861 PolarHBondContact O-N 2.89Å; T859-A862 PolarHBondContact O-N 2.72Å; T859-F863 HydrophobicContact CG2-CD2 4.49Å; T859-F863 WeakPolarHBondContact O-CD2 3.49Å; T859-Y871 HydrophobicContact CG2-CD2 3.46Å; T859-Y871 VanDerWaalsContact CG2-CD2 3.46Å; T859-Y871 HydrophobicContact CG2-CE2 3.42Å; T859-Y871 VanDerWaalsContact CG2-CE2 3.42Å; T859-Y871 HydrophobicContact CG2-CG 4.42Å
860	Q	98.9	Very high	98.9	Very high	16 Å²	16	19.8 Å²	19.8	8%	0.075	11%	0.11	C	C	.	.	H	α-helix	trans	-54.5	-52.3	172.1	174.2	172.1	-85.4	0	0	110.8	H855 G856 A862 F863 Y864 Y871 E891 N901 N903	H855-Q860 VanDerWaalsContact CE1-CD 3.49Å; H855-Q860 PolarHBondContact CE1-NE2 3.19Å; H855-Q860 PolarHBondContact NE2-OE1 3.43Å; G856-Q860 PolarHBondContact O-N 3.12Å; Q860-A862 VanDerWaalsContact C-N 3.32Å; Q860-A862 PolarHBondContact O-N 3.27Å; Q860-F863 PolarHBondContact O-N 2.92Å; Q860-Y864 HydrophobicContact CG-CD2 3.57Å; Q860-Y864 HydrophobicContact CG-CE2 3.92Å; Q860-Y864 WeakPolarHBondContact O-CB 3.39Å; Q860-Y864 PolarHBondContact O-N 3.43Å; Q860-Y871 HydrophobicContact CB-CD1 4.05Å; Q860-Y871 HydrophobicContact CB-CE1 3.92Å; Q860-E891 PolarHBondContact NE2-OE2 3.47Å; Q860-N901 WeakPolarHBondContact CG-OD1 3.17Å; Q860-N901 PolarHBondContact OE1-ND2 3.32Å; Q860-N903 PolarHBondContact OE1-ND2 3.31Å
861	Q	98.8	Very high	98.9	Very high	82 Å²	82	19.9 Å²	19.9	38%	0.383	11%	0.11	S	C	.	.	H	α-helix	trans	-56.5	-43.4	-179.9	-175.7	-176.9	91.9	0	0	112.4	E817 N857 T859 F863	E817-Q861 VanDerWaalsContact CB-OE1 3.27Å; E817-Q861 PolarHBondContact OE2-NE2 3.48Å; N857-Q861 WeakPolarHBondContact O-CB 3.45Å; N857-Q861 PolarHBondContact O-N 2.8Å; T859-Q861 PolarHBondContact O-N 2.89Å; Q861-F863 PolarHBondContact O-N 2.92Å
862	A	98.9	Very high	98.9	Very high	21 Å²	21	19.9 Å²	19.9	17%	0.174	11%	0.11	C	C	.	.	H	α-helix	trans	-64.4	-20.3	-176.8	0	0	0	0	0	114.7	V732 A831 K835 G858 T859 Q860	V732-A862 HydrophobicContact CG1-CB 4.05Å; A831-A862 HydrophobicContact CB-CB 3.96Å; K835-A862 WeakPolarHBondContact CE-O 3.49Å; K835-A862 PolarHBondContact NZ-O 2.93Å; G858-A862 WeakPolarHBondContact O-CB 3.47Å; G858-A862 PolarHBondContact O-N 3.03Å; G858-A862 VanDerWaalsContact O-N 3.11Å; T859-A862 PolarHBondContact O-N 2.72Å; Q860-A862 VanDerWaalsContact C-N 3.32Å; Q860-A862 PolarHBondContact O-N 3.27Å
863	F	98.9	Very high	98.9	Very high	6 Å²	6	19.8 Å²	19.8	3%	0.026	11%	0.11	C	C	.	.	H	α-helix	trans	-128.9	7.2	-177.2	-58.4	-77.6	0	0	0	114.6	A831 A834 K835 I848 T859 Q860 Q861 T865 D866 V869	A831-F863 HydrophobicContact CB-CE2 3.65Å; A831-F863 HydrophobicContact CB-CZ 4.19Å; A834-F863 HydrophobicContact CB-CE1 4.27Å; A834-F863 HydrophobicContact CB-CE2 4.34Å; A834-F863 HydrophobicContact CB-CZ 3.64Å; K835-F863 HydrophobicContact CD-CE1 3.65Å; K835-F863 HydrophobicContact CD-CZ 4.02Å; K835-F863 HydrophobicContact CG-CE1 4.13Å; K835-F863 HydrophobicContact CG-CZ 3.98Å; K835-F863 VanDerWaalsContact NZ-CD1 3.29Å; I848-F863 HydrophobicContact CD1-CD2 4.04Å; I848-F863 HydrophobicContact CD1-CE2 3.69Å; I848-F863 HydrophobicContact CD1-CZ 4.33Å; T859-F863 HydrophobicContact CG2-CD2 4.49Å; T859-F863 WeakPolarHBondContact O-CD2 3.49Å; Q860-F863 PolarHBondContact O-N 2.92Å; Q861-F863 PolarHBondContact O-N 2.92Å; F863-T865 PolarHBondContact O-N 3.39Å; F863-D866 HydrophobicContact CB-CB 4.42Å; F863-D866 HydrophobicContact CD1-CB 4.38Å; F863-D866 PolarHBondContact O-N 3.19Å; F863-V869 HydrophobicContact CB-CB 4.13Å; F863-V869 HydrophobicContact CB-CG1 4.26Å; F863-V869 HydrophobicContact CD1-CB 3.47Å; F863-V869 VanDerWaalsContact CD1-CB 3.47Å; F863-V869 HydrophobicContact CD1-CG1 3.75Å; F863-V869 HydrophobicContact CD1-CG2 3.44Å; F863-V869 VanDerWaalsContact CD1-CG2 3.44Å; F863-V869 HydrophobicContact CD2-CG1 4.04Å; F863-V869 HydrophobicContact CE1-CB 4.03Å; F863-V869 HydrophobicContact CE1-CG1 4.1Å; F863-V869 HydrophobicContact CE1-CG2 3.57Å; F863-V869 HydrophobicContact CE2-CG1 4.38Å; F863-V869 HydrophobicContact CG-CB 3.81Å; F863-V869 HydrophobicContact CG-CG1 3.73Å; F863-V869 HydrophobicContact CG-CG2 4.27Å; F863-V869 HydrophobicContact CZ-CG1 4.42Å; F863-V869 HydrophobicContact CZ-CG2 4.49Å
864	Y	98.9	Very high	98.9	Very high	61 Å²	61	19.8 Å²	19.8	24%	0.239	11%	0.11	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-9.6	-173.8	-152	-113.4	0	0	0	115.8	Q860 E891 G893 S894 N901	Q860-Y864 HydrophobicContact CG-CD2 3.57Å; Q860-Y864 HydrophobicContact CG-CE2 3.92Å; Q860-Y864 WeakPolarHBondContact O-CB 3.39Å; Q860-Y864 PolarHBondContact O-N 3.43Å; Y864-E891 HydrophobicContact CE2-CB 4.36Å; Y864-E891 VanDerWaalsContact OH-C 3.25Å; Y864-E891 VanDerWaalsContact OH-CA 3.25Å; Y864-E891 WeakPolarHBondContact OH-CA 3.28Å; Y864-G893 VanDerWaalsContact CE2-CA 3.46Å; Y864-G893 VanDerWaalsContact CE2-N 3.34Å; Y864-G893 VanDerWaalsContact CZ-CA 3.44Å; Y864-G893 CarbonylContact O-C 3.57Å; Y864-G893 WeakPolarHBondContact O-CA 3.43Å; Y864-G893 PolarHBondContact OH-N 2.98Å; Y864-S894 WeakPolarHBondContact CD1-OG 3.36Å; Y864-S894 PolarHBondContact O-N 2.98Å; Y864-S894 PolarHBondContact O-OG 3.47Å; Y864-N901 HydrophobicContact CD2-CB 4.25Å; Y864-N901 HydrophobicContact CE2-CB 4.18Å
865	T	98.8	Very high	98.9	Very high	91 Å²	91	19.1 Å²	19.1	56%	0.558	11%	0.107	S	C	*	.	T	Hydrogen-bonded Turn	trans	-117.8	1	176.4	52.6	0	0	0	0	114.4	F863 P867 S894 G897	F863-T865 PolarHBondContact O-N 3.39Å; T865-P867 WeakPolarHBondContact O-CD 3.28Å; T865-S894 WeakPolarHBondContact CA-O 3.05Å; T865-S894 VanDerWaalsContact CG2-OG 3.28Å; T865-S894 WeakPolarHBondContact CG2-OG 3.4Å; T865-G897 PolarHBondContact O-N 3.44Å
866	D	98.8	Very high	98.9	Very high	30 Å²	30	20.6 Å²	20.6	16%	0.16	11%	0.112	C	C	.	.			trans	-115.6	98.2	-161.4	-175.5	-7	0	0	0	112.4	K835 Q838 F863 S868 V869	K835-D866 IonicContact NZ-OD2 2.69Å; Q838-D866 PolarHBondContact NE2-OD2 3.39Å; F863-D866 HydrophobicContact CB-CB 4.42Å; F863-D866 HydrophobicContact CD1-CB 4.38Å; F863-D866 PolarHBondContact O-N 3.19Å; D866-S868 PolarHBondContact O-N 2.92Å; D866-S868 VanDerWaalsContact O-N 3.13Å; D866-S868 WeakPolarHBondContact OD1-CB 3.35Å; D866-S868 PolarHBondContact OD1-N 2.87Å; D866-S868 PolarHBondContact OD1-OG 3.07Å; D866-V869 PolarHBondContact O-N 3.13Å; D866-V869 VanDerWaalsContact O-O 3.14Å
867	P	98.7	Very high	98.9	Very high	50 Å²	50	22.2 Å²	22.2	33%	0.325	12%	0.119	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.7	-3.5	-178.8	30.7	-36.2	0	0	0	114.4	T865 V869 A896 F900	T865-P867 WeakPolarHBondContact O-CD 3.28Å; P867-V869 VanDerWaalsContact C-N 3.29Å; P867-A896 WeakPolarHBondContact CB-O 3.37Å; P867-A896 HydrophobicContact CG-CB 4.01Å; P867-F900 HydrophobicContact CB-CD1 4.25Å; P867-F900 HydrophobicContact CB-CD2 3.61Å; P867-F900 HydrophobicContact CB-CE1 4.21Å; P867-F900 HydrophobicContact CB-CE2 3.58Å; P867-F900 HydrophobicContact CB-CG 3.97Å; P867-F900 HydrophobicContact CB-CZ 3.89Å; P867-F900 WeakPolarHBondContact O-CD1 3.42Å; P867-F900 WeakPolarHBondContact O-CE1 3.2Å
868	S	98.8	Very high	98.8	Very high	34 Å²	34	22.8 Å²	22.8	24%	0.238	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.8	-7.4	173.3	72	0	0	0	0	112.8	Q838 S844 K845 I846 D866	Q838-S868 PolarHBondContact NE2-OG 3.49Å; S844-S868 WeakPolarHBondContact O-CB 3.19Å; K845-S868 CarbonylContact C-O 3.51Å; K845-S868 WeakPolarHBondContact CA-O 3.41Å; I846-S868 PolarHBondContact N-O 3.32Å; D866-S868 PolarHBondContact O-N 2.92Å; D866-S868 VanDerWaalsContact O-N 3.13Å; D866-S868 WeakPolarHBondContact OD1-CB 3.35Å; D866-S868 PolarHBondContact OD1-N 2.87Å; D866-S868 PolarHBondContact OD1-OG 3.07Å
869	V	98.9	Very high	98.8	Very high	1 Å²	1	28.4 Å²	28.4	1%	0.006	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	117.7	173.7	-174.2	0	0	0	0	110.1	I846 I848 F863 D866 P867	I846-V869 HydrophobicContact CB-CG1 4.36Å; I846-V869 HydrophobicContact CB-CG2 4.16Å; I846-V869 HydrophobicContact CD1-CG2 4.45Å; I846-V869 CarbonylContact O-C 3.59Å; I846-V869 VanDerWaalsContact O-CA 3.3Å; I846-V869 WeakPolarHBondContact O-CA 3.39Å; I848-V869 HydrophobicContact CD1-CG1 3.69Å; I848-V869 HydrophobicContact CG1-CG1 3.94Å; F863-V869 HydrophobicContact CB-CB 4.13Å; F863-V869 HydrophobicContact CB-CG1 4.26Å; F863-V869 HydrophobicContact CD1-CB 3.47Å; F863-V869 VanDerWaalsContact CD1-CB 3.47Å; F863-V869 HydrophobicContact CD1-CG1 3.75Å; F863-V869 HydrophobicContact CD1-CG2 3.44Å; F863-V869 VanDerWaalsContact CD1-CG2 3.44Å; F863-V869 HydrophobicContact CD2-CG1 4.04Å; F863-V869 HydrophobicContact CE1-CB 4.03Å; F863-V869 HydrophobicContact CE1-CG1 4.1Å; F863-V869 HydrophobicContact CE1-CG2 3.57Å; F863-V869 HydrophobicContact CE2-CG1 4.38Å; F863-V869 HydrophobicContact CG-CB 3.81Å; F863-V869 HydrophobicContact CG-CG1 3.73Å; F863-V869 HydrophobicContact CG-CG2 4.27Å; F863-V869 HydrophobicContact CZ-CG1 4.42Å; F863-V869 HydrophobicContact CZ-CG2 4.49Å; D866-V869 PolarHBondContact O-N 3.13Å; D866-V869 VanDerWaalsContact O-O 3.14Å; P867-V869 VanDerWaalsContact C-N 3.29Å
870	L	98.9	Very high	98.7	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	117.9	172.9	169.6	59.2	0	0	0	109.1	I846 L847 I848 L872 F900 V902 I930 F934 W1040	I846-L870 PolarHBondContact O-N 3.4Å; L847-L870 HydrophobicContact CD1-CB 4.26Å; L847-L870 HydrophobicContact CD1-CD2 3.85Å; L847-L870 HydrophobicContact CD1-CG 3.81Å; I848-L870 PolarHBondContact N-O 2.88Å; L870-L872 HydrophobicContact CD1-CD1 4.36Å; L870-L872 HydrophobicContact CD1-CG 4.34Å; L870-L872 HydrophobicContact CD2-CD1 3.89Å; L870-L872 HydrophobicContact CG-CD1 4.08Å; L870-L872 HydrophobicContact CG-CG 4.41Å; L870-F900 WeakPolarHBondContact CA-O 3.08Å; L870-F900 WeakPolarHBondContact CD1-O 3.24Å; L870-V902 HydrophobicContact CD1-CG2 3.92Å; L870-I930 HydrophobicContact CD1-CG2 4.29Å; L870-I930 HydrophobicContact CD2-CG2 3.82Å; L870-F934 HydrophobicContact CB-CD1 3.75Å; L870-F934 HydrophobicContact CB-CD2 4.18Å; L870-F934 HydrophobicContact CB-CE1 3.57Å; L870-F934 HydrophobicContact CB-CE2 4.02Å; L870-F934 HydrophobicContact CB-CG 4.05Å; L870-F934 HydrophobicContact CB-CZ 3.71Å; L870-F934 HydrophobicContact CD2-CB 3.61Å; L870-F934 HydrophobicContact CD2-CD1 3.66Å; L870-F934 HydrophobicContact CD2-CD2 4.28Å; L870-F934 HydrophobicContact CD2-CE1 4.36Å; L870-F934 HydrophobicContact CD2-CG 3.6Å; L870-F934 HydrophobicContact CG-CD1 4.37Å; L870-F934 HydrophobicContact CG-CG 4.49Å; L870-W1040 HydrophobicContact CD1-CZ2 4.17Å; L870-W1040 HydrophobicContact CD2-CH2 4.44Å
871	Y	98.9	Very high	98.7	Very high	1 Å²	1	35.4 Å²	35.4	0%	0.004	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	128.5	170.6	-177.5	-112.9	0	0	0	110.4	I848 D850 H855 G856 T859 Q860 S873 F900 N901 V902	I848-Y871 HydrophobicContact CB-CD2 4.18Å; I848-Y871 HydrophobicContact CG2-CD2 4.05Å; I848-Y871 HydrophobicContact CG2-CE2 4.35Å; D850-Y871 HydrophobicContact CB-CE2 3.64Å; D850-Y871 WeakPolarHBondContact CB-OH 3.35Å; D850-Y871 PolarHBondContact OD2-OH 2.96Å; H855-Y871 AromaticContact NE2-CE1 3.8Å; G856-Y871 VanDerWaalsContact CA-OH 3.25Å; G856-Y871 WeakPolarHBondContact CA-OH 3.42Å; G856-Y871 PolarHBondContact N-OH 2.72Å; G856-Y871 VanDerWaalsContact N-OH 3.17Å; G856-Y871 PolarHBondContact O-OH 2.73Å; T859-Y871 HydrophobicContact CG2-CD2 3.46Å; T859-Y871 VanDerWaalsContact CG2-CD2 3.46Å; T859-Y871 HydrophobicContact CG2-CE2 3.42Å; T859-Y871 VanDerWaalsContact CG2-CE2 3.42Å; T859-Y871 HydrophobicContact CG2-CG 4.42Å; Q860-Y871 HydrophobicContact CB-CD1 4.05Å; Q860-Y871 HydrophobicContact CB-CE1 3.92Å; Y871-S873 PolarHBondContact OH-OG 3.02Å; Y871-F900 PolarHBondContact N-O 2.74Å; Y871-N901 WeakPolarHBondContact CD1-OD1 3.37Å; Y871-V902 PolarHBondContact O-N 3.45Å
872	L	98.9	Very high	98.7	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	99.3	-175.8	-105.2	163	0	0	0	109.5	L847 I848 V849 D850 L870 V902 V927 I930	L847-L872 HydrophobicContact CD1-CB 4.28Å; L847-L872 HydrophobicContact CD1-CD1 3.79Å; I848-L872 PolarHBondContact O-N 3.37Å; V849-L872 CarbonylContact C-O 3.35Å; V849-L872 WeakPolarHBondContact CA-O 3.38Å; V849-L872 HydrophobicContact CG2-CB 4.47Å; D850-L872 PolarHBondContact N-O 2.98Å; L870-L872 HydrophobicContact CD1-CD1 4.36Å; L870-L872 HydrophobicContact CD1-CG 4.34Å; L870-L872 HydrophobicContact CD2-CD1 3.89Å; L870-L872 HydrophobicContact CG-CD1 4.08Å; L870-L872 HydrophobicContact CG-CG 4.41Å; L872-V902 WeakPolarHBondContact CA-O 3.45Å; L872-V902 HydrophobicContact CD2-CB 3.61Å; L872-V902 HydrophobicContact CD2-CG1 3.54Å; L872-V902 HydrophobicContact CD2-CG2 4.4Å; L872-V902 HydrophobicContact CG-CB 3.93Å; L872-V902 HydrophobicContact CG-CG1 4.4Å; L872-V902 HydrophobicContact CG-CG2 4.44Å; L872-V927 HydrophobicContact CD1-CG1 4.14Å; L872-V927 HydrophobicContact CD2-CG1 4.4Å; L872-V927 HydrophobicContact CD2-CG2 4.48Å; L872-I930 HydrophobicContact CD1-CB 4.49Å; L872-I930 HydrophobicContact CD1-CG2 4.19Å
873	S	98.9	Very high	98.6	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	132.8	-176.5	-173.6	0	0	0	0	112.4	D850 Y871 H875 V902 M904	D850-S873 CarbonylContact O-C 3.51Å; D850-S873 WeakPolarHBondContact O-CA 3.39Å; Y871-S873 PolarHBondContact OH-OG 3.02Å; S873-H875 PolarHBondContact OG-ND1 3.48Å; S873-V902 PolarHBondContact N-O 3.03Å; S873-M904 WeakPolarHBondContact O-CA 3.32Å; S873-M904 VanDerWaalsContact O-CB 3.28Å; S873-M904 WeakPolarHBondContact O-CB 3.45Å; S873-M904 PolarHBondContact O-N 3.4Å
874	L	98.9	Very high	98.6	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	20%	0.2	C	C	.	.			trans	-114.7	85	173.9	-61.4	96.4	0	0	0	110.9	V849 D850 M904 Y919 A922 F923 V927	V849-L874 HydrophobicContact CG1-CD1 3.98Å; D850-L874 PolarHBondContact O-N 3.3Å; L874-M904 HydrophobicContact CD2-CG 4.12Å; L874-M904 HydrophobicContact CG-CB 4.05Å; L874-M904 HydrophobicContact CG-CG 4.12Å; L874-Y919 HydrophobicContact CB-CD1 4.42Å; L874-Y919 HydrophobicContact CB-CE1 3.8Å; L874-Y919 HydrophobicContact CD2-CD1 4.02Å; L874-Y919 HydrophobicContact CD2-CE1 4.23Å; L874-Y919 PolarHBondContact O-OH 3.44Å; L874-A922 HydrophobicContact CD2-CB 4.04Å; L874-F923 HydrophobicContact CD1-CE2 3.8Å; L874-F923 HydrophobicContact CD1-CZ 4.42Å; L874-F923 HydrophobicContact CD2-CD2 3.79Å; L874-F923 HydrophobicContact CD2-CE2 3.66Å; L874-F923 HydrophobicContact CG-CE2 4.4Å; L874-V927 HydrophobicContact CD1-CG2 3.94Å; L874-V927 HydrophobicContact CD2-CG2 3.89Å; L874-V927 HydrophobicContact CG-CG2 4.16Å
875	H	98.9	Very high	98.5	Very high	1 Å²	1	35.4 Å²	35.4	1%	0.005	20%	0.203	C	C	.	.			trans	-123.4	163.4	-171.7	59.4	-100.6	0	0	0	112.6	V853 H855 S873 G887 A905 F906	V853-H875 WeakPolarHBondContact O-CB 3.26Å; H855-H875 HydrophobicContact CB-CB 4.29Å; H855-H875 AromaticContact CD2-CE1 3.84Å; H855-H875 AromaticContact CD2-ND1 3.88Å; H855-H875 AromaticContact CG-CE1 3.92Å; S873-H875 PolarHBondContact OG-ND1 3.48Å; H875-G887 PolarHBondContact CE1-O 3.25Å; H875-G887 PolarHBondContact NE2-O 2.98Å; H875-G887 VanDerWaalsContact NE2-O 3.13Å; H875-A905 WeakPolarHBondContact NE2-CB 3.47Å; H875-F906 PolarHBondContact O-N 3.24Å
876	R	98.8	Very high	98.5	Very high	31 Å²	31	32.8 Å²	32.8	12%	0.117	19%	0.188	C	C	.	.	B	Isolated β-bridge	trans	-78.7	123.6	167.2	-178.8	173.6	176.6	-144.2	-20.9	109.2	V853 D878 F882 P953 G956 Y958	V853-R876 HydrophobicContact CG2-CB 4.04Å; V853-R876 PolarHBondContact O-N 3.16Å; R876-D878 IonicContact CZ-OD2 3.7Å; R876-D878 IonicContact NE-OD2 3.81Å; R876-D878 PolarHBondContact NE-OD2 3.38Å; R876-D878 IonicContact NH2-OD2 3.81Å; R876-D878 PolarHBondContact NH2-OD2 2.94Å; R876-F882 HydrophobicContact CB-CD1 3.72Å; R876-F882 HydrophobicContact CB-CE1 4.03Å; R876-F882 HydrophobicContact CB-CG 4.24Å; R876-F882 HydrophobicContact CG-CB 4.09Å; R876-F882 HydrophobicContact CG-CD1 3.85Å; R876-F882 HydrophobicContact CG-CD2 4.39Å; R876-F882 HydrophobicContact CG-CE1 4.39Å; R876-F882 HydrophobicContact CG-CG 3.83Å; R876-F882 VanDerWaalsContact O-CD1 3.31Å; R876-F882 WeakPolarHBondContact O-CD1 3.31Å; R876-P953 PolarHBondContact NH1-O 3.34Å; R876-G956 WeakPolarHBondContact CD-O 3.48Å; R876-G956 PolarHBondContact NH1-O 2.97Å; R876-Y958 WeakPolarHBondContact CA-OH 3.2Å; R876-Y958 HydrophobicContact CB-CE1 4.27Å; R876-Y958 HydrophobicContact CB-CE2 4.03Å; R876-Y958 WeakPolarHBondContact CB-OH 3.42Å; R876-Y958 HydrophobicContact CG-CE1 4.09Å; R876-Y958 WeakPolarHBondContact CG-OH 3.38Å
877	Y	98.8	Very high	98.5	Very high	35 Å²	35	31.3 Å²	31.3	14%	0.137	18%	0.181	C	C	.	.			trans	-114.2	-46	-176.7	-179.4	-113.9	0	0	0	112.4	D879 G880 N881 F882 A888 A905 F906	Y877-D879 PolarHBondContact O-N 3.26Å; Y877-G880 VanDerWaalsContact CZ-N 3.32Å; Y877-G880 WeakPolarHBondContact O-CA 3.41Å; Y877-G880 PolarHBondContact O-N 2.85Å; Y877-N881 PolarHBondContact O-N 2.61Å; Y877-F882 PolarHBondContact O-N 3.03Å; Y877-A888 HydrophobicContact CE1-CB 4.3Å; Y877-A888 HydrophobicContact CE2-CB 4.26Å; Y877-A888 WeakPolarHBondContact OH-CB 3.44Å; Y877-A905 HydrophobicContact CD1-CB 4.22Å; Y877-A905 HydrophobicContact CG-CB 3.95Å; Y877-F906 PolarHBondContact N-O 3.15Å
878	D	98.1	Very high	98.5	Very high	17 Å²	17	29.3 Å²	29.3	9%	0.091	17%	0.168	C	C	.	.	G	3₁₀ helix	trans	46.3	54.4	-179.7	-70.1	-21.9	0	0	0	113.4	R876 G880 N881 F906 G908 G909	R876-D878 IonicContact CZ-OD2 3.7Å; R876-D878 IonicContact NE-OD2 3.81Å; R876-D878 PolarHBondContact NE-OD2 3.38Å; R876-D878 IonicContact NH2-OD2 3.81Å; R876-D878 PolarHBondContact NH2-OD2 2.94Å; D878-G880 PolarHBondContact O-N 2.72Å; D878-N881 VanDerWaalsContact O-CB 3.28Å; D878-N881 WeakPolarHBondContact O-CB 3.17Å; D878-N881 PolarHBondContact O-N 3.44Å; D878-N881 PolarHBondContact O-ND2 3.2Å; D878-F906 PolarHBondContact N-O 3Å; D878-G908 PolarHBondContact OD1-N 2.88Å; D878-G908 VanDerWaalsContact OD1-N 3.12Å; D878-G909 WeakPolarHBondContact OD1-CA 3.45Å; D878-G909 PolarHBondContact OD1-N 2.8Å; D878-G909 WeakPolarHBondContact OD2-CA 3.39Å
879	D	97.8	Very high	98.5	Very high	120 Å²	120	28.6 Å²	28.6	64%	0.642	16%	0.163	S	C	*	.	G	3₁₀ helix	trans	53	35.1	-177.2	-63.3	-55.7	0	0	0	113.7	Y877 N881 T907	Y877-D879 PolarHBondContact O-N 3.26Å; D879-N881 PolarHBondContact O-ND2 3.32Å; D879-T907 VanDerWaalsContact OD2-CG2 3.3Å; D879-T907 WeakPolarHBondContact OD2-CG2 3.46Å
880	G	97.8	Very high	98.4	Very high	25 Å²	25	34 Å²	34	26%	0.258	19%	0.192	S	C	.	.	G	3₁₀ helix	trans	83.5	7.6	-179.2	0	0	0	0	0	114.8	Y877 D878 G885	Y877-G880 VanDerWaalsContact CZ-N 3.32Å; Y877-G880 WeakPolarHBondContact O-CA 3.41Å; Y877-G880 PolarHBondContact O-N 2.85Å; D878-G880 PolarHBondContact O-N 2.72Å; G880-G885 WeakPolarHBondContact O-CA 3.34Å
881	N	98.2	Very high	98.4	Very high	138 Å²	138	36.2 Å²	36.2	74%	0.738	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.8	4.5	-176.5	-60.9	-88.5	0	0	0	114	Y877 D878 D879	Y877-N881 PolarHBondContact O-N 2.61Å; D878-N881 VanDerWaalsContact O-CB 3.28Å; D878-N881 WeakPolarHBondContact O-CB 3.17Å; D878-N881 PolarHBondContact O-N 3.44Å; D878-N881 PolarHBondContact O-ND2 3.2Å; D879-N881 PolarHBondContact O-ND2 3.32Å
882	F	98.4	Very high	98.4	Very high	16 Å²	16	36.9 Å²	36.9	7%	0.07	21%	0.206	C	C	.	.	S	Bend	trans	-115.8	149.5	172.1	-169.4	-104.1	0	0	0	111.2	V853 H854 R876 Y877 G885	V853-F882 HydrophobicContact CG1-CE1 4.26Å; V853-F882 HydrophobicContact CG1-CZ 4.4Å; H854-F882 AromaticContact CD2-CE1 3.31Å; H854-F882 WeakPolarHBondContact CD2-CE1 3.29Å; H854-F882 AromaticContact CD2-CZ 3.66Å; H854-F882 AromaticContact NE2-CE1 3.75Å; H854-F882 AromaticContact NE2-CZ 3.6Å; R876-F882 HydrophobicContact CB-CD1 3.72Å; R876-F882 HydrophobicContact CB-CE1 4.03Å; R876-F882 HydrophobicContact CB-CG 4.24Å; R876-F882 HydrophobicContact CG-CB 4.09Å; R876-F882 HydrophobicContact CG-CD1 3.85Å; R876-F882 HydrophobicContact CG-CD2 4.39Å; R876-F882 HydrophobicContact CG-CE1 4.39Å; R876-F882 HydrophobicContact CG-CG 3.83Å; R876-F882 VanDerWaalsContact O-CD1 3.31Å; R876-F882 WeakPolarHBondContact O-CD1 3.31Å; Y877-F882 PolarHBondContact O-N 3.03Å; F882-G885 VanDerWaalsContact O-CA 3.3Å; F882-G885 WeakPolarHBondContact O-CA 3.34Å; F882-G885 PolarHBondContact O-N 3.46Å
883	F	97.6	Very high	98.4	Very high	90 Å²	90	37.3 Å²	37.3	40%	0.395	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	136.3	-174.9	179.8	-90.9	0	0	0	111.8	H815 M822 H854	H815-F883 AromaticContact CD2-CE1 3.93Å; H815-F883 AromaticContact CE1-CE1 3.76Å; H815-F883 AromaticContact NE2-CE1 3.57Å; M822-F883 HydrophobicContact CE-CE2 3.99Å; M822-F883 HydrophobicContact CE-CZ 3.68Å; H854-F883 HydrophobicContact CB-CD1 4.46Å; H854-F883 AromaticContact CD2-CD1 3.95Å
884	P	97.8	Very high	98.4	Very high	34 Å²	34	39.3 Å²	39.3	22%	0.221	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	cis	-89	2	4	36.8	-37.7	0	0	0	115.6	M822 H855 N857	M822-P884 HydrophobicContact CE-CB 3.78Å; H855-P884 HydrophobicContact CB-CG 4.22Å; H855-P884 WeakPolarHBondContact O-CG 3.42Å; N857-P884 HydrophobicContact CB-CG 4.23Å
885	G	97.6	Very high	98.4	Very high	29 Å²	29	42.7 Å²	42.7	30%	0.299	26%	0.26	S	S	.	.			trans	90.7	-12.1	178.9	0	0	0	0	0	115.5	G880 F882	G880-G885 WeakPolarHBondContact O-CA 3.34Å; F882-G885 VanDerWaalsContact O-CA 3.3Å; F882-G885 WeakPolarHBondContact O-CA 3.34Å; F882-G885 PolarHBondContact O-N 3.46Å
886	S	98.6	Very high	98.4	Very high	36 Å²	36	45.9 Å²	45.9	25%	0.252	29%	0.286	S	S	.	.			trans	-92.8	172.3	166.8	60.1	0	0	0	0	111.4	H855	H855-S886 VanDerWaalsContact ND1-C 3.28Å; H855-S886 PolarHBondContact ND1-O 3.26Å; H855-S886 PolarHBondContact ND1-OG 3.33Å; H855-S886 VanDerWaalsContact ND1-OG 3.08Å
887	G	98.6	Very high	98.3	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	28%	0.281	C	S	.	.			trans	107.9	25.8	178	0	0	0	0	0	113.4	H855 H875 E891 N903 A905	H855-G887 VanDerWaalsContact CE1-CA 3.5Å; H855-G887 WeakPolarHBondContact CE1-CA 3.3Å; H855-G887 WeakPolarHBondContact ND1-CA 3.46Å; H855-G887 PolarHBondContact ND1-N 3.02Å; H875-G887 PolarHBondContact CE1-O 3.25Å; H875-G887 PolarHBondContact NE2-O 2.98Å; H875-G887 VanDerWaalsContact NE2-O 3.13Å; G887-E891 PolarHBondContact N-OE1 2.99Å; G887-E891 PolarHBondContact N-OE2 2.95Å; G887-N903 VanDerWaalsContact C-ND2 3.32Å; G887-N903 WeakPolarHBondContact CA-ND2 3.33Å; G887-N903 WeakPolarHBondContact O-CB 3.39Å; G887-N903 PolarHBondContact O-ND2 2.86Å; G887-A905 WeakPolarHBondContact O-CB 3.38Å
888	A	98.8	Very high	98.3	Very high	7 Å²	7	45.5 Å²	45.5	6%	0.058	29%	0.291	C	S	.	.			trans	-59.9	151.8	-179.6	0	0	0	0	0	112.4	Y877 D890 E891 N903	Y877-A888 HydrophobicContact CE1-CB 4.3Å; Y877-A888 HydrophobicContact CE2-CB 4.26Å; Y877-A888 WeakPolarHBondContact OH-CB 3.44Å; A888-D890 WeakPolarHBondContact CB-OD1 3.5Å; A888-D890 PolarHBondContact O-N 2.65Å; A888-D890 VanDerWaalsContact O-N 3.08Å; A888-E891 HydrophobicContact CB-CG 4.11Å; A888-E891 WeakPolarHBondContact CB-OE1 3.33Å; A888-E891 VanDerWaalsContact N-CD 3.31Å; A888-E891 PolarHBondContact N-OE1 3.07Å; A888-E891 WeakPolarHBondContact O-CB 3.4Å; A888-E891 PolarHBondContact O-N 3.05Å; A888-N903 PolarHBondContact O-ND2 3.29Å; A888-N903 VanDerWaalsContact O-ND2 3.16Å
889	P	98.7	Very high	98.4	Very high	19 Å²	19	44.7 Å²	44.7	12%	0.123	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.5	-24.1	178.1	-26.2	33.1	0	0	0	115.4	A905 K1031 V1032 V1035	P889-A905 HydrophobicContact CG-CB 4.05Å; P889-K1031 HydrophobicContact CB-CG 4.19Å; P889-K1031 HydrophobicContact CG-CG 4.22Å; P889-V1032 HydrophobicContact CB-CG2 4.18Å; P889-V1032 HydrophobicContact CG-CG2 4.5Å; P889-V1035 WeakPolarHBondContact O-CG1 3.36Å
890	D	98.3	Very high	98.4	Very high	116 Å²	116	41.6 Å²	41.6	62%	0.62	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.9	-2	-179.6	61	-37.5	0	0	0	114.5	A888 V892	A888-D890 WeakPolarHBondContact CB-OD1 3.5Å; A888-D890 PolarHBondContact O-N 2.65Å; A888-D890 VanDerWaalsContact O-N 3.08Å; D890-V892 PolarHBondContact O-N 3.22Å
891	E	98.8	Very high	98.5	Very high	45 Å²	45	40.6 Å²	40.6	21%	0.21	26%	0.256	C	S	.	.			trans	-73.4	65.3	167.6	-68.3	172.2	-136	0	0	110.7	Q860 Y864 G887 A888 G893 N901	Q860-E891 PolarHBondContact NE2-OE2 3.47Å; Y864-E891 HydrophobicContact CE2-CB 4.36Å; Y864-E891 VanDerWaalsContact OH-C 3.25Å; Y864-E891 VanDerWaalsContact OH-CA 3.25Å; Y864-E891 WeakPolarHBondContact OH-CA 3.28Å; G887-E891 PolarHBondContact N-OE1 2.99Å; G887-E891 PolarHBondContact N-OE2 2.95Å; A888-E891 HydrophobicContact CB-CG 4.11Å; A888-E891 WeakPolarHBondContact CB-OE1 3.33Å; A888-E891 VanDerWaalsContact N-CD 3.31Å; A888-E891 PolarHBondContact N-OE1 3.07Å; A888-E891 WeakPolarHBondContact O-CB 3.4Å; A888-E891 PolarHBondContact O-N 3.05Å; E891-G893 VanDerWaalsContact C-N 3.31Å; E891-G893 PolarHBondContact O-N 3.14Å; E891-N901 PolarHBondContact O-ND2 2.87Å
892	V	98.8	Very high	98.5	Very high	16 Å²	16	34 Å²	34	10%	0.097	22%	0.221	C	C	.	.			trans	-83.9	8.6	-170	-59.1	0	0	0	0	115.4	D890 V898 G899 V1035 Y1039	D890-V892 PolarHBondContact O-N 3.22Å; V892-V898 HydrophobicContact CG2-CG1 4.22Å; V892-G899 PolarHBondContact O-N 2.61Å; V892-V1035 HydrophobicContact CG1-CG1 3.32Å; V892-Y1039 HydrophobicContact CB-CE2 4.11Å; V892-Y1039 HydrophobicContact CG1-CE2 4.1Å; V892-Y1039 HydrophobicContact CG2-CE2 4.21Å
893	G	98.7	Very high	98.5	Very high	9 Å²	9	33.3 Å²	33.3	9%	0.093	22%	0.218	C	C	.	.			trans	91	-179.2	-170	0	0	0	0	0	112.9	Y864 E891	Y864-G893 VanDerWaalsContact CE2-CA 3.46Å; Y864-G893 VanDerWaalsContact CE2-N 3.34Å; Y864-G893 VanDerWaalsContact CZ-CA 3.44Å; Y864-G893 CarbonylContact O-C 3.57Å; Y864-G893 WeakPolarHBondContact O-CA 3.43Å; Y864-G893 PolarHBondContact OH-N 2.98Å; E891-G893 VanDerWaalsContact C-N 3.31Å; E891-G893 PolarHBondContact O-N 3.14Å
894	S	98.6	Very high	98.6	Very high	41 Å²	41	29 Å²	29	29%	0.287	20%	0.199	S	C	.	.			trans	-149.5	158.2	-170.3	64.2	0	0	0	0	112.7	Y864 T865 A896 G897	Y864-S894 WeakPolarHBondContact CD1-OG 3.36Å; Y864-S894 PolarHBondContact O-N 2.98Å; Y864-S894 PolarHBondContact O-OG 3.47Å; T865-S894 WeakPolarHBondContact CA-O 3.05Å; T865-S894 VanDerWaalsContact CG2-OG 3.28Å; T865-S894 WeakPolarHBondContact CG2-OG 3.4Å; S894-A896 PolarHBondContact O-N 3.2Å; S894-A896 VanDerWaalsContact O-N 3.12Å; S894-G897 PolarHBondContact O-N 3.48Å
895	G	98.5	Very high	98.6	Very high	72 Å²	72	27.5 Å²	27.5	74%	0.742	19%	0.189	S	C	*	.	G	3₁₀ helix	trans	58.5	-116.9	-178.9	0	0	0	0	0	112
896	A	98.3	Very high	98.7	Very high	68 Å²	68	26.1 Å²	26.1	56%	0.562	18%	0.175	S	C	*	.	G	3₁₀ helix	trans	-81.1	-21.6	176.1	0	0	0	0	0	113.6	P867 S894 V898	P867-A896 WeakPolarHBondContact CB-O 3.37Å; P867-A896 HydrophobicContact CG-CB 4.01Å; S894-A896 PolarHBondContact O-N 3.2Å; S894-A896 VanDerWaalsContact O-N 3.12Å; A896-V898 VanDerWaalsContact C-N 3.3Å; A896-V898 PolarHBondContact O-N 2.88Å
897	G	98.6	Very high	98.7	Very high	1 Å²	1	25.8 Å²	25.8	1%	0.01	17%	0.172	C	C	.	.	G	3₁₀ helix	trans	-83.7	6.9	-178.4	0	0	0	0	0	115	T865 S894 G899 F900	T865-G897 PolarHBondContact O-N 3.44Å; S894-G897 PolarHBondContact O-N 3.48Å; G897-G899 PolarHBondContact O-N 3.32Å; G897-F900 WeakPolarHBondContact O-CB 3.26Å; G897-F900 PolarHBondContact O-N 2.96Å
898	V	98.8	Very high	98.6	Very high	56 Å²	56	27.4 Å²	27.4	34%	0.339	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.2	122.7	178.2	177.6	0	0	0	0	110.3	V892 A896 Y1039	V892-V898 HydrophobicContact CG2-CG1 4.22Å; A896-V898 VanDerWaalsContact C-N 3.3Å; A896-V898 PolarHBondContact O-N 2.88Å; V898-Y1039 HydrophobicContact CG1-CD1 4.33Å; V898-Y1039 HydrophobicContact CG1-CE1 3.63Å
899	G	98.5	Very high	98.4	Very high	0 Å²	0	28 Å²	28	0%	0	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	93.4	-14.6	-173.6	0	0	0	0	0	114.3	V892 G897 W1040	V892-G899 PolarHBondContact O-N 2.61Å; G897-G899 PolarHBondContact O-N 3.32Å; G899-W1040 WeakPolarHBondContact O-CZ2 3.27Å; G899-W1040 PolarHBondContact O-NE1 3.03Å
900	F	98.9	Very high	98.3	Very high	56 Å²	56	29.4 Å²	29.4	25%	0.246	20%	0.201	C	C	.	.	S	Bend	trans	-94.4	2.1	-178.5	-63.1	-93.7	0	0	0	113.5	P867 L870 Y871 G897 F934 W1040	P867-F900 HydrophobicContact CB-CD1 4.25Å; P867-F900 HydrophobicContact CB-CD2 3.61Å; P867-F900 HydrophobicContact CB-CE1 4.21Å; P867-F900 HydrophobicContact CB-CE2 3.58Å; P867-F900 HydrophobicContact CB-CG 3.97Å; P867-F900 HydrophobicContact CB-CZ 3.89Å; P867-F900 WeakPolarHBondContact O-CD1 3.42Å; P867-F900 WeakPolarHBondContact O-CE1 3.2Å; L870-F900 WeakPolarHBondContact CA-O 3.08Å; L870-F900 WeakPolarHBondContact CD1-O 3.24Å; Y871-F900 PolarHBondContact N-O 2.74Å; G897-F900 WeakPolarHBondContact O-CB 3.26Å; G897-F900 PolarHBondContact O-N 2.96Å; F900-F934 HydrophobicContact CD1-CD2 4.14Å; F900-F934 AromaticContact CD1-CE2 3.85Å; F900-F934 HydrophobicContact CD1-CE2 3.85Å; F900-F934 AromaticContact CE1-CD2 3.91Å; F900-F934 HydrophobicContact CE1-CD2 3.91Å; F900-F934 AromaticContact CE1-CE2 3.8Å; F900-F934 HydrophobicContact CE1-CE2 3.8Å; F900-W1040 HydrophobicContact CD1-CH2 4.25Å; F900-W1040 HydrophobicContact CD1-CZ2 4.21Å; F900-W1040 HydrophobicContact CE1-CH2 4.03Å; F900-W1040 HydrophobicContact CE1-CZ2 4.32Å
901	N	98.9	Very high	98.1	Very high	3 Å²	3	32 Å²	32	2%	0.016	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	126.3	164.3	-160	82.8	0	0	0	109.7	Q860 Y864 Y871 E891 N903 Q1036	Q860-N901 WeakPolarHBondContact CG-OD1 3.17Å; Q860-N901 PolarHBondContact OE1-ND2 3.32Å; Y864-N901 HydrophobicContact CD2-CB 4.25Å; Y864-N901 HydrophobicContact CE2-CB 4.18Å; Y871-N901 WeakPolarHBondContact CD1-OD1 3.37Å; E891-N901 PolarHBondContact O-ND2 2.87Å; N901-N903 PolarHBondContact ND2-ND2 3.14Å; N901-Q1036 PolarHBondContact O-NE2 2.99Å
902	V	98.9	Very high	98.1	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	102.1	-174.3	-174	0	0	0	0	110.9	L870 Y871 L872 S873 V926 I930 V1032 Q1036	L870-V902 HydrophobicContact CD1-CG2 3.92Å; Y871-V902 PolarHBondContact O-N 3.45Å; L872-V902 WeakPolarHBondContact CA-O 3.45Å; L872-V902 HydrophobicContact CD2-CB 3.61Å; L872-V902 HydrophobicContact CD2-CG1 3.54Å; L872-V902 HydrophobicContact CD2-CG2 4.4Å; L872-V902 HydrophobicContact CG-CB 3.93Å; L872-V902 HydrophobicContact CG-CG1 4.4Å; L872-V902 HydrophobicContact CG-CG2 4.44Å; S873-V902 PolarHBondContact N-O 3.03Å; V902-V926 HydrophobicContact CG1-CG1 4.25Å; V902-I930 HydrophobicContact CG1-CD1 3.83Å; V902-I930 HydrophobicContact CG2-CD1 4.2Å; V902-V1032 HydrophobicContact CG1-CG1 4.3Å; V902-Q1036 HydrophobicContact CG1-CG 4.14Å
903	N	98.9	Very high	98	Very high	2 Å²	2	34.1 Å²	34.1	1%	0.011	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	105.6	175.4	-68.6	-31.8	0	0	0	110.9	Q860 G887 A888 N901 A905 V1032	Q860-N903 PolarHBondContact OE1-ND2 3.31Å; G887-N903 VanDerWaalsContact C-ND2 3.32Å; G887-N903 WeakPolarHBondContact CA-ND2 3.33Å; G887-N903 WeakPolarHBondContact O-CB 3.39Å; G887-N903 PolarHBondContact O-ND2 2.86Å; A888-N903 PolarHBondContact O-ND2 3.29Å; A888-N903 VanDerWaalsContact O-ND2 3.16Å; N901-N903 PolarHBondContact ND2-ND2 3.14Å; N903-A905 HydrophobicContact CB-CB 4.45Å; N903-A905 PolarHBondContact O-N 3.15Å; N903-V1032 VanDerWaalsContact O-CG2 3.25Å; N903-V1032 WeakPolarHBondContact O-CG2 3.26Å
904	M	98.8	Very high	98	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	22%	0.224	C	C	.	.			trans	-79.1	62.9	166.5	-176.5	55.9	-98.3	0	0	109.3	S873 L874 F906 A922 V926 M1029 V1032	S873-M904 WeakPolarHBondContact O-CA 3.32Å; S873-M904 VanDerWaalsContact O-CB 3.28Å; S873-M904 WeakPolarHBondContact O-CB 3.45Å; S873-M904 PolarHBondContact O-N 3.4Å; L874-M904 HydrophobicContact CD2-CG 4.12Å; L874-M904 HydrophobicContact CG-CB 4.05Å; L874-M904 HydrophobicContact CG-CG 4.12Å; M904-F906 HydrophobicContact CE-CD1 4.05Å; M904-F906 HydrophobicContact CE-CE1 3.92Å; M904-F906 HydrophobicContact CE-CG 4.5Å; M904-F906 HydrophobicContact CE-CZ 4.26Å; M904-F906 HydrophobicContact CG-CE2 4.34Å; M904-F906 HydrophobicContact CG-CZ 4.34Å; M904-F906 PolarHBondContact O-N 2.8Å; M904-A922 HydrophobicContact CG-CB 3.96Å; M904-A922 HydrophobicContact SD-CB 4.05Å; M904-V926 HydrophobicContact SD-CB 4.4Å; M904-V926 HydrophobicContact SD-CG2 4.06Å; M904-M1029 HydrophobicContact CE-CG 3.9Å; M904-M1029 HydrophobicContact SD-CG 3.82Å; M904-V1032 HydrophobicContact CE-CG2 4.12Å; M904-V1032 HydrophobicContact SD-CG2 4.3Å
905	A	98.8	Very high	98	Very high	1 Å²	1	32.1 Å²	32.1	1%	0.008	21%	0.213	C	C	.	.			trans	-76.2	103.8	-173.2	0	0	0	0	0	111.5	H875 Y877 G887 P889 N903	H875-A905 WeakPolarHBondContact NE2-CB 3.47Å; Y877-A905 HydrophobicContact CD1-CB 4.22Å; Y877-A905 HydrophobicContact CG-CB 3.95Å; G887-A905 WeakPolarHBondContact O-CB 3.38Å; P889-A905 HydrophobicContact CG-CB 4.05Å; N903-A905 HydrophobicContact CB-CB 4.45Å; N903-A905 PolarHBondContact O-N 3.15Å
906	F	98.9	Very high	98	Very high	0 Å²	0	29 Å²	29	0%	0	18%	0.18	C	C	.	.	B	Isolated β-bridge	trans	-76	127.6	179	-74.1	-68.6	0	0	0	111.5	H875 Y877 D878 M904 M914 Y919 A922 Y958 A1025	H875-F906 PolarHBondContact O-N 3.24Å; Y877-F906 PolarHBondContact N-O 3.15Å; D878-F906 PolarHBondContact N-O 3Å; M904-F906 HydrophobicContact CE-CD1 4.05Å; M904-F906 HydrophobicContact CE-CE1 3.92Å; M904-F906 HydrophobicContact CE-CG 4.5Å; M904-F906 HydrophobicContact CE-CZ 4.26Å; M904-F906 HydrophobicContact CG-CE2 4.34Å; M904-F906 HydrophobicContact CG-CZ 4.34Å; M904-F906 PolarHBondContact O-N 2.8Å; F906-M914 HydrophobicContact CB-CE 4.02Å; F906-M914 HydrophobicContact CB-CG 4.28Å; F906-M914 HydrophobicContact CD1-CE 3.97Å; F906-M914 HydrophobicContact CD1-CG 4.16Å; F906-M914 HydrophobicContact CD1-SD 4.27Å; F906-M914 HydrophobicContact CG-CE 4.33Å; F906-M914 HydrophobicContact CG-CG 4.13Å; F906-Y919 HydrophobicContact CD2-CE2 4.08Å; F906-Y919 AromaticContact CE2-CD2 3.9Å; F906-Y919 HydrophobicContact CE2-CD2 3.9Å; F906-Y919 AromaticContact CE2-CE2 3.52Å; F906-Y919 HydrophobicContact CE2-CE2 3.52Å; F906-Y919 AromaticContact CE2-CZ 3.87Å; F906-Y919 HydrophobicContact CZ-CD2 4.14Å; F906-Y919 HydrophobicContact CZ-CE2 4.2Å; F906-A922 HydrophobicContact CZ-CB 3.89Å; F906-Y958 WeakPolarHBondContact CB-OH 3.47Å; F906-Y958 HydrophobicContact CD2-CE2 4.4Å; F906-A1025 HydrophobicContact CD1-CB 4.23Å; F906-A1025 HydrophobicContact CE1-CB 3.94Å
907	T	98.5	Very high	98	Very high	30 Å²	30	26.1 Å²	26.1	18%	0.184	16%	0.156	C	C	.	.			trans	-132.8	134.8	-175.7	-64.7	0	0	0	0	111.3	D879 N1024 S1028	D879-T907 VanDerWaalsContact OD2-CG2 3.3Å; D879-T907 WeakPolarHBondContact OD2-CG2 3.46Å; T907-N1024 WeakPolarHBondContact O-CB 3.49Å; T907-S1028 PolarHBondContact N-OG 2.97Å; T907-S1028 PolarHBondContact O-OG 3.32Å
908	G	95.9	Very high	98	Very high	33 Å²	33	26.1 Å²	26.1	34%	0.34	16%	0.156	S	C	.	.	S	Bend	trans	140	12.2	176.9	0	0	0	0	0	114.3	D878 N1024	D878-G908 PolarHBondContact OD1-N 2.88Å; D878-G908 VanDerWaalsContact OD1-N 3.12Å; G908-N1024 PolarHBondContact O-ND2 3.29Å
909	G	95.1	Very high	98	Very high	21 Å²	21	23.5 Å²	23.5	22%	0.216	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	72.8	-144.8	179.8	0	0	0	0	0	112.7	D878	D878-G909 WeakPolarHBondContact OD1-CA 3.45Å; D878-G909 PolarHBondContact OD1-N 2.8Å; D878-G909 WeakPolarHBondContact OD2-CA 3.39Å
910	L	97.5	Very high	98	Very high	47 Å²	47	24 Å²	24	25%	0.246	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-113.8	34.3	-178.6	-59.3	180	0	0	0	111.1	P912 P913 P953 Y958	L910-P912 CarbonylContact C-O 3.52Å; L910-P912 CarbonylContact O-C 3.57Å; L910-P912 WeakPolarHBondContact O-CA 3.34Å; L910-P913 HydrophobicContact CB-CG 4.18Å; L910-P913 HydrophobicContact CD2-CB 4.11Å; L910-P913 VanDerWaalsContact O-CD 3.24Å; L910-P913 WeakPolarHBondContact O-CD 3.41Å; L910-P953 HydrophobicContact CD1-CB 3.67Å; L910-P953 HydrophobicContact CD1-CG 3.96Å; L910-Y958 HydrophobicContact CD2-CD1 3.72Å; L910-Y958 HydrophobicContact CD2-CE1 3.83Å
911	E	94.1	Very high	98	Very high	171 Å²	171	21.5 Å²	21.5	80%	0.799	13%	0.132	S	C	*	.	S	Bend	trans	-121.9	76.5	-176	-62.9	-167.3	173.4	0	0	112.9	N1024	E911-N1024 PolarHBondContact O-ND2 3.18Å
912	P	97.3	Very high	98	Very high	68 Å²	68	21.3 Å²	21.3	44%	0.442	13%	0.131	S	C	.	.	S	Bend	cis	-80.3	169.7	-9.4	36.1	-35.9	0	0	0	111.9	L910 N1022	L910-P912 CarbonylContact C-O 3.52Å; L910-P912 CarbonylContact O-C 3.57Å; L910-P912 WeakPolarHBondContact O-CA 3.34Å; P912-N1022 HydrophobicContact CG-CB 3.74Å
913	P	98.2	Very high	98	Very high	38 Å²	38	21.3 Å²	21.3	25%	0.247	13%	0.131	C	C	.	.	P	Polyproline II helix	trans	-62.1	150.6	169	-15.4	29.5	0	0	0	111	L910 Y958 K959	L910-P913 HydrophobicContact CB-CG 4.18Å; L910-P913 HydrophobicContact CD2-CB 4.11Å; L910-P913 VanDerWaalsContact O-CD 3.24Å; L910-P913 WeakPolarHBondContact O-CD 3.41Å; P913-Y958 HydrophobicContact CB-CD1 4.47Å; P913-K959 HydrophobicContact CB-CG 3.77Å; P913-K959 HydrophobicContact CG-CG 3.99Å
914	M	98.8	Very high	97.9	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	14%	0.14	C	C	.	.	P	Polyproline II helix	trans	-69.3	142.6	171.9	-49.6	-51	178.8	0	0	110.6	F906 E918 Y919 Y958 K959 N1022 N1024 A1025	F906-M914 HydrophobicContact CB-CE 4.02Å; F906-M914 HydrophobicContact CB-CG 4.28Å; F906-M914 HydrophobicContact CD1-CE 3.97Å; F906-M914 HydrophobicContact CD1-CG 4.16Å; F906-M914 HydrophobicContact CD1-SD 4.27Å; F906-M914 HydrophobicContact CG-CE 4.33Å; F906-M914 HydrophobicContact CG-CG 4.13Å; M914-E918 HydrophobicContact CB-CB 4.13Å; M914-E918 HydrophobicContact CB-CG 4.37Å; M914-E918 HydrophobicContact SD-CB 4.4Å; M914-E918 HydrophobicContact SD-CG 3.93Å; M914-Y919 HydrophobicContact CB-CE2 4.33Å; M914-Y958 HydrophobicContact CB-CD1 4.08Å; M914-Y958 HydrophobicContact CB-CD2 3.87Å; M914-Y958 HydrophobicContact CB-CE1 4.01Å; M914-Y958 HydrophobicContact CB-CE2 3.8Å; M914-Y958 HydrophobicContact CB-CG 4.01Å; M914-Y958 HydrophobicContact CG-CD1 4.25Å; M914-Y958 HydrophobicContact CG-CD2 4.34Å; M914-Y958 HydrophobicContact CG-CE1 3.67Å; M914-Y958 HydrophobicContact CG-CE2 3.78Å; M914-Y958 VanDerWaalsContact CG-CZ 3.4Å; M914-Y958 WeakPolarHBondContact O-CB 3.5Å; M914-K959 PolarHBondContact O-N 3.42Å; M914-N1022 PolarHBondContact SD-ND2 3.01Å; M914-N1024 HydrophobicContact CE-CB 3.84Å; M914-A1025 HydrophobicContact CE-CB 4.29Å; M914-A1025 HydrophobicContact SD-CB 3.83Å
915	G	98.3	Very high	97.8	Very high	7 Å²	7	23.6 Å²	23.6	7%	0.072	14%	0.14	C	C	.	.	B	Isolated β-bridge	trans	-133	-159.3	178.2	0	0	0	0	0	112.4	A917 E918 Y919	G915-A917 VanDerWaalsContact C-N 3.35Å; G915-A917 PolarHBondContact O-N 3.39Å; G915-E918 WeakPolarHBondContact CA-OE2 3.37Å; G915-E918 PolarHBondContact N-OE2 3Å; G915-E918 PolarHBondContact O-N 3Å; G915-Y919 PolarHBondContact O-N 3.05Å
916	D	98.6	Very high	97.8	Very high	7 Å²	7	23.5 Å²	23.5	4%	0.037	14%	0.139	C	C	.	.	H	α-helix	trans	-57.1	-44.9	-179	-72.1	4	0	0	0	112.5	E918 Y919 L920 L960 T961 C964 V1016	D916-E918 VanDerWaalsContact C-N 3.31Å; D916-E918 PolarHBondContact O-N 3.39Å; D916-Y919 PolarHBondContact O-N 3.08Å; D916-L920 HydrophobicContact CB-CD1 4.3Å; D916-L920 VanDerWaalsContact O-CB 3.26Å; D916-L920 WeakPolarHBondContact O-CB 3.43Å; D916-L920 WeakPolarHBondContact O-CD1 3.35Å; D916-L920 WeakPolarHBondContact O-CG 3.08Å; D916-L920 PolarHBondContact O-N 3.06Å; D916-L960 VanDerWaalsContact OD1-CA 3.25Å; D916-L960 WeakPolarHBondContact OD1-CA 3.16Å; D916-T961 PolarHBondContact OD1-N 2.95Å; D916-T961 PolarHBondContact OD1-OG1 3.13Å; D916-T961 WeakPolarHBondContact OD2-CB 3.5Å; D916-T961 VanDerWaalsContact OD2-CG2 3.28Å; D916-T961 WeakPolarHBondContact OD2-CG2 3.47Å; D916-T961 PolarHBondContact OD2-OG1 3.38Å; D916-C964 HydrophobicContact CB-CB 4.26Å; D916-C964 VanDerWaalsContact CG-CB 3.46Å; D916-C964 WeakPolarHBondContact OD1-CB 3.38Å; D916-V1016 HydrophobicContact CB-CG1 3.5Å
917	A	98.3	Very high	97.8	Very high	7 Å²	7	23.5 Å²	23.5	6%	0.058	14%	0.139	C	C	.	.	H	α-helix	trans	-61.5	-38.9	-177.5	0	0	0	0	0	112.3	G915 A921 Q1019	G915-A917 VanDerWaalsContact C-N 3.35Å; G915-A917 PolarHBondContact O-N 3.39Å; A917-A921 VanDerWaalsContact O-CB 3.24Å; A917-A921 WeakPolarHBondContact O-CB 3.26Å; A917-A921 PolarHBondContact O-N 2.91Å; A917-Q1019 HydrophobicContact CB-CB 3.94Å; A917-Q1019 HydrophobicContact CB-CG 3.63Å
918	E	98.7	Very high	97.8	Very high	2 Å²	2	23.2 Å²	23.2	1%	0.009	14%	0.136	C	C	.	.	H	α-helix	trans	-69.1	-46.7	178	-68.7	74.7	-163.7	0	0	112.5	M914 G915 D916 A921 A922 P1021 N1022 A1025	M914-E918 HydrophobicContact CB-CB 4.13Å; M914-E918 HydrophobicContact CB-CG 4.37Å; M914-E918 HydrophobicContact SD-CB 4.4Å; M914-E918 HydrophobicContact SD-CG 3.93Å; G915-E918 WeakPolarHBondContact CA-OE2 3.37Å; G915-E918 PolarHBondContact N-OE2 3Å; G915-E918 PolarHBondContact O-N 3Å; D916-E918 VanDerWaalsContact C-N 3.31Å; D916-E918 PolarHBondContact O-N 3.39Å; E918-A921 PolarHBondContact O-N 3.27Å; E918-A922 WeakPolarHBondContact O-CB 3.38Å; E918-A922 PolarHBondContact O-N 3.33Å; E918-P1021 HydrophobicContact CG-CB 4.1Å; E918-N1022 VanDerWaalsContact CD-ND2 3.29Å; E918-N1022 VanDerWaalsContact CG-ND2 3.32Å; E918-N1022 WeakPolarHBondContact CG-ND2 3.35Å; E918-N1022 PolarHBondContact OE1-N 3.16Å; E918-N1022 PolarHBondContact OE1-ND2 3.08Å; E918-A1025 HydrophobicContact CB-CB 3.82Å; E918-A1025 HydrophobicContact CG-CB 3.34Å
919	Y	98.8	Very high	97.9	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-69.3	-36.6	177.9	-89.4	-116.8	0	0	0	112.1	L874 F906 M914 G915 D916 A922 F923 Y958 L960 L968	L874-Y919 HydrophobicContact CB-CD1 4.42Å; L874-Y919 HydrophobicContact CB-CE1 3.8Å; L874-Y919 HydrophobicContact CD2-CD1 4.02Å; L874-Y919 HydrophobicContact CD2-CE1 4.23Å; L874-Y919 PolarHBondContact O-OH 3.44Å; F906-Y919 HydrophobicContact CD2-CE2 4.08Å; F906-Y919 AromaticContact CE2-CD2 3.9Å; F906-Y919 HydrophobicContact CE2-CD2 3.9Å; F906-Y919 AromaticContact CE2-CE2 3.52Å; F906-Y919 HydrophobicContact CE2-CE2 3.52Å; F906-Y919 AromaticContact CE2-CZ 3.87Å; F906-Y919 HydrophobicContact CZ-CD2 4.14Å; F906-Y919 HydrophobicContact CZ-CE2 4.2Å; M914-Y919 HydrophobicContact CB-CE2 4.33Å; G915-Y919 PolarHBondContact O-N 3.05Å; D916-Y919 PolarHBondContact O-N 3.08Å; Y919-A922 PolarHBondContact O-N 3.43Å; Y919-F923 WeakPolarHBondContact O-CB 3.23Å; Y919-F923 WeakPolarHBondContact O-CD2 3.46Å; Y919-F923 PolarHBondContact O-N 3.08Å; Y919-Y958 AromaticContact CE2-CD2 3.97Å; Y919-Y958 HydrophobicContact CE2-CD2 3.97Å; Y919-Y958 HydrophobicContact CE2-CE2 4.07Å; Y919-L960 HydrophobicContact CD1-CD2 3.77Å; Y919-L960 HydrophobicContact CD2-CD1 3.68Å; Y919-L960 HydrophobicContact CD2-CD2 3.98Å; Y919-L960 HydrophobicContact CD2-CG 4.27Å; Y919-L960 HydrophobicContact CE1-CD2 4.15Å; Y919-L960 HydrophobicContact CE2-CD1 3.77Å; Y919-L960 HydrophobicContact CE2-CD2 4.33Å; Y919-L960 HydrophobicContact CG-CD1 4.25Å; Y919-L960 HydrophobicContact CG-CD2 3.68Å; Y919-L960 HydrophobicContact CG-CG 4.36Å; Y919-L968 HydrophobicContact CD1-CD1 4.24Å
920	L	98.4	Very high	98	Very high	10 Å²	10	21.9 Å²	21.9	5%	0.052	12%	0.117	C	C	.	.	H	α-helix	trans	-66.2	-38.7	174	-68.6	164.4	0	0	0	111.6	D916 R924 L968 I1012 L1054	D916-L920 HydrophobicContact CB-CD1 4.3Å; D916-L920 VanDerWaalsContact O-CB 3.26Å; D916-L920 WeakPolarHBondContact O-CB 3.43Å; D916-L920 WeakPolarHBondContact O-CD1 3.35Å; D916-L920 WeakPolarHBondContact O-CG 3.08Å; D916-L920 PolarHBondContact O-N 3.06Å; L920-R924 VanDerWaalsContact O-CB 3.27Å; L920-R924 WeakPolarHBondContact O-CB 3.33Å; L920-R924 PolarHBondContact O-N 3.37Å; L920-L968 HydrophobicContact CD2-CD2 4.13Å; L920-I1012 HydrophobicContact CD1-CD1 3.81Å; L920-I1012 HydrophobicContact CD2-CD1 4.48Å; L920-L1054 HydrophobicContact CD1-CD2 4.16Å
921	A	98.1	Very high	98.1	Very high	4 Å²	4	19.6 Å²	19.6	3%	0.033	11%	0.105	C	C	.	.	H	α-helix	trans	-66.4	-42.3	173.3	0	0	0	0	0	112.3	A917 E918 R924 T925 P1021 M1029	A917-A921 VanDerWaalsContact O-CB 3.24Å; A917-A921 WeakPolarHBondContact O-CB 3.26Å; A917-A921 PolarHBondContact O-N 2.91Å; E918-A921 PolarHBondContact O-N 3.27Å; A921-R924 PolarHBondContact O-N 3.09Å; A921-T925 WeakPolarHBondContact O-CB 3.48Å; A921-T925 WeakPolarHBondContact O-CG2 3.35Å; A921-T925 PolarHBondContact O-N 3.22Å; A921-T925 PolarHBondContact O-OG1 3.07Å; A921-P1021 HydrophobicContact CB-CB 3.91Å; A921-P1021 HydrophobicContact CB-CG 3.73Å; A921-M1029 HydrophobicContact CB-CE 3.95Å; A921-M1029 HydrophobicContact CB-SD 3.97Å
922	A	98.6	Very high	98.3	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-63.8	-40.5	176	0	0	0	0	0	112	L874 M904 F906 E918 Y919 T925 V926 V927 M1029	L874-A922 HydrophobicContact CD2-CB 4.04Å; M904-A922 HydrophobicContact CG-CB 3.96Å; M904-A922 HydrophobicContact SD-CB 4.05Å; F906-A922 HydrophobicContact CZ-CB 3.89Å; E918-A922 WeakPolarHBondContact O-CB 3.38Å; E918-A922 PolarHBondContact O-N 3.33Å; Y919-A922 PolarHBondContact O-N 3.43Å; A922-T925 PolarHBondContact O-N 3.43Å; A922-V926 WeakPolarHBondContact O-CA 3.48Å; A922-V926 WeakPolarHBondContact O-CB 3.35Å; A922-V926 PolarHBondContact O-N 3.49Å; A922-V927 PolarHBondContact O-N 2.86Å; A922-V927 VanDerWaalsContact O-N 3.07Å; A922-M1029 VanDerWaalsContact CA-SD 3.56Å; A922-M1029 HydrophobicContact CB-CG 4.4Å; A922-M1029 HydrophobicContact CB-SD 4.02Å; A922-M1029 PolarHBondContact N-SD 3.41Å; A922-M1029 VanDerWaalsContact N-SD 3.45Å
923	F	98.7	Very high	98.4	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	9%	0.088	C	C	.	.	I	π-helix	trans	-62.1	-47.9	172.3	-96.6	-112.3	0	0	0	112.2	V849 W851 L874 Y919 T925 V927 M928 L968 Q971 L972	V849-F923 HydrophobicContact CG1-CZ 4.38Å; W851-F923 HydrophobicContact CE3-CZ 4.23Å; L874-F923 HydrophobicContact CD1-CE2 3.8Å; L874-F923 HydrophobicContact CD1-CZ 4.42Å; L874-F923 HydrophobicContact CD2-CD2 3.79Å; L874-F923 HydrophobicContact CD2-CE2 3.66Å; L874-F923 HydrophobicContact CG-CE2 4.4Å; Y919-F923 WeakPolarHBondContact O-CB 3.23Å; Y919-F923 WeakPolarHBondContact O-CD2 3.46Å; Y919-F923 PolarHBondContact O-N 3.08Å; F923-T925 VanDerWaalsContact C-N 3.31Å; F923-T925 PolarHBondContact O-N 3.17Å; F923-V927 HydrophobicContact CD1-CB 4.37Å; F923-V927 HydrophobicContact CD1-CG1 4.44Å; F923-V927 HydrophobicContact CD2-CB 4.33Å; F923-V927 HydrophobicContact CD2-CG2 3.88Å; F923-V927 HydrophobicContact CE1-CG1 4.25Å; F923-V927 HydrophobicContact CE2-CG2 4.11Å; F923-V927 HydrophobicContact CG-CB 4.22Å; F923-V927 HydrophobicContact CG-CG2 4.24Å; F923-V927 HydrophobicContact CZ-CG1 4.3Å; F923-M928 HydrophobicContact CB-CG 4.5Å; F923-M928 HydrophobicContact CD1-CG 4.07Å; F923-M928 HydrophobicContact CD1-SD 4.19Å; F923-M928 VanDerWaalsContact O-CB 3.27Å; F923-M928 WeakPolarHBondContact O-CB 3.37Å; F923-M928 WeakPolarHBondContact O-CG 3.4Å; F923-M928 PolarHBondContact O-N 3.23Å; F923-L968 HydrophobicContact CB-CD2 4.37Å; F923-L968 HydrophobicContact CD1-CD2 3.97Å; F923-L968 HydrophobicContact CD2-CD1 4.42Å; F923-L968 HydrophobicContact CD2-CD2 3.71Å; F923-L968 HydrophobicContact CE1-CB 4.01Å; F923-L968 HydrophobicContact CE1-CD2 4.16Å; F923-L968 HydrophobicContact CE2-CB 4.43Å; F923-L968 HydrophobicContact CE2-CD1 3.9Å; F923-L968 HydrophobicContact CE2-CD2 3.91Å; F923-L968 HydrophobicContact CE2-CG 4.28Å; F923-L968 HydrophobicContact CG-CD2 3.74Å; F923-L968 HydrophobicContact CZ-CB 3.93Å; F923-L968 HydrophobicContact CZ-CD1 4.17Å; F923-L968 HydrophobicContact CZ-CD2 4.14Å; F923-L968 HydrophobicContact CZ-CG 4.28Å; F923-Q971 HydrophobicContact CD1-CB 4.42Å; F923-L972 HydrophobicContact CE1-CD1 4.41Å; F923-L972 HydrophobicContact CE1-CD2 4.02Å; F923-L972 HydrophobicContact CE1-CG 4.05Å
924	R	97	Very high	98.4	Very high	49 Å²	49	15.1 Å²	15.1	19%	0.185	8%	0.078	C	C	.	.	I	π-helix	trans	-60.7	-36	179	177.9	173.3	61.1	75.5	-4.1	113.3	L920 A921 P929 T1049 W1052	L920-R924 VanDerWaalsContact O-CB 3.27Å; L920-R924 WeakPolarHBondContact O-CB 3.33Å; L920-R924 PolarHBondContact O-N 3.37Å; A921-R924 PolarHBondContact O-N 3.09Å; R924-P929 WeakPolarHBondContact O-CD 3.45Å; R924-P929 VanDerWaalsContact O-CG 3.31Å; R924-P929 WeakPolarHBondContact O-CG 3.33Å; R924-T1049 PolarHBondContact NH1-O 3.28Å; R924-T1049 PolarHBondContact NH1-OG1 3.19Å; R924-T1049 PolarHBondContact NH2-O 3.49Å; R924-W1052 PolarHBondContact NH2-O 3.31Å
925	T	97.3	Very high	98.4	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	10%	0.099	C	C	.	.	I	π-helix	trans	-110.2	-24	-165.8	60.9	0	0	0	0	115.2	A921 A922 F923 L1043 S1046 L1050	A921-T925 WeakPolarHBondContact O-CB 3.48Å; A921-T925 WeakPolarHBondContact O-CG2 3.35Å; A921-T925 PolarHBondContact O-N 3.22Å; A921-T925 PolarHBondContact O-OG1 3.07Å; A922-T925 PolarHBondContact O-N 3.43Å; F923-T925 VanDerWaalsContact C-N 3.31Å; F923-T925 PolarHBondContact O-N 3.17Å; T925-L1043 WeakPolarHBondContact O-CD2 3.5Å; T925-S1046 VanDerWaalsContact O-CB 3.27Å; T925-S1046 WeakPolarHBondContact O-CB 3.48Å; T925-S1046 PolarHBondContact O-OG 3.4Å; T925-L1050 HydrophobicContact CG2-CD2 3.8Å; T925-L1050 WeakPolarHBondContact OG1-CD2 3.43Å
926	V	98.4	Very high	98.4	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	10%	0.097	C	C	.	.	I	π-helix	trans	-120.3	-64	-179.7	-177.9	0	0	0	0	111.3	V902 M904 A922 P929 I930 V1032 I1033	V902-V926 HydrophobicContact CG1-CG1 4.25Å; M904-V926 HydrophobicContact SD-CB 4.4Å; M904-V926 HydrophobicContact SD-CG2 4.06Å; A922-V926 WeakPolarHBondContact O-CA 3.48Å; A922-V926 WeakPolarHBondContact O-CB 3.35Å; A922-V926 PolarHBondContact O-N 3.49Å; V926-P929 WeakPolarHBondContact O-CD 3.41Å; V926-I930 HydrophobicContact CG1-CD1 3.79Å; V926-I930 WeakPolarHBondContact O-CB 3.27Å; V926-I930 WeakPolarHBondContact O-CD1 3.22Å; V926-I930 VanDerWaalsContact O-CG1 3.25Å; V926-I930 WeakPolarHBondContact O-CG1 3.19Å; V926-I930 PolarHBondContact O-N 2.87Å; V926-V1032 HydrophobicContact CG1-CG1 3.87Å; V926-V1032 HydrophobicContact CG2-CG1 4.47Å; V926-I1033 HydrophobicContact CG2-CD1 4.16Å; V926-I1033 HydrophobicContact CG2-CG1 4.06Å
927	V	98.8	Very high	98.4	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	11%	0.109	C	C	.	.	I	π-helix	trans	-63.7	-55.7	-168.1	-169.4	0	0	0	0	111.9	V849 L872 L874 A922 F923 A931	V849-V927 HydrophobicContact CG2-CG1 4.47Å; L872-V927 HydrophobicContact CD1-CG1 4.14Å; L872-V927 HydrophobicContact CD2-CG1 4.4Å; L872-V927 HydrophobicContact CD2-CG2 4.48Å; L874-V927 HydrophobicContact CD1-CG2 3.94Å; L874-V927 HydrophobicContact CD2-CG2 3.89Å; L874-V927 HydrophobicContact CG-CG2 4.16Å; A922-V927 PolarHBondContact O-N 2.86Å; A922-V927 VanDerWaalsContact O-N 3.07Å; F923-V927 HydrophobicContact CD1-CB 4.37Å; F923-V927 HydrophobicContact CD1-CG1 4.44Å; F923-V927 HydrophobicContact CD2-CB 4.33Å; F923-V927 HydrophobicContact CD2-CG2 3.88Å; F923-V927 HydrophobicContact CE1-CG1 4.25Å; F923-V927 HydrophobicContact CE2-CG2 4.11Å; F923-V927 HydrophobicContact CG-CB 4.22Å; F923-V927 HydrophobicContact CG-CG2 4.24Å; F923-V927 HydrophobicContact CZ-CG1 4.3Å; V927-A931 WeakPolarHBondContact O-CB 3.42Å; V927-A931 PolarHBondContact O-N 3.37Å
928	M	98.4	Very high	98.4	Very high	24 Å²	24	19.5 Å²	19.5	12%	0.118	11%	0.107	C	C	.	.	H	α-helix	trans	-70.3	-39.5	-176.1	-63.5	-57	-62.2	0	0	113	F923 A931 N932 Q971 L972 L975	F923-M928 HydrophobicContact CB-CG 4.5Å; F923-M928 HydrophobicContact CD1-CG 4.07Å; F923-M928 HydrophobicContact CD1-SD 4.19Å; F923-M928 VanDerWaalsContact O-CB 3.27Å; F923-M928 WeakPolarHBondContact O-CB 3.37Å; F923-M928 WeakPolarHBondContact O-CG 3.4Å; F923-M928 PolarHBondContact O-N 3.23Å; M928-A931 PolarHBondContact O-N 3.46Å; M928-N932 WeakPolarHBondContact O-CB 3.41Å; M928-N932 PolarHBondContact O-N 3.05Å; M928-N932 PolarHBondContact O-ND2 3.35Å; M928-Q971 HydrophobicContact CE-CB 4.14Å; M928-Q971 WeakPolarHBondContact CE-O 3.2Å; M928-Q971 HydrophobicContact CG-CB 4.34Å; M928-Q971 HydrophobicContact SD-CB 3.9Å; M928-L972 HydrophobicContact SD-CD2 3.97Å; M928-L975 HydrophobicContact CE-CD1 4.11Å; M928-L975 HydrophobicContact CE-CD2 4.16Å; M928-L975 HydrophobicContact CE-CG 4.04Å; M928-L975 HydrophobicContact SD-CD1 4.39Å
929	P	97.8	Very high	98.5	Very high	25 Å²	25	19.4 Å²	19.4	16%	0.162	11%	0.106	C	C	.	.	H	α-helix	trans	-55.9	-49.8	172.2	-31	39.3	0	0	0	113.3	R924 V926 E933 S1042 L1043	R924-P929 WeakPolarHBondContact O-CD 3.45Å; R924-P929 VanDerWaalsContact O-CG 3.31Å; R924-P929 WeakPolarHBondContact O-CG 3.33Å; V926-P929 WeakPolarHBondContact O-CD 3.41Å; P929-E933 PolarHBondContact O-N 3.46Å; P929-E933 VanDerWaalsContact O-N 3.11Å; P929-S1042 PolarHBondContact O-OG 3.32Å; P929-L1043 HydrophobicContact CB-CD2 4.27Å
930	I	98.6	Very high	98.5	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-65.3	-47.7	178.5	-65	170.4	0	0	0	110.8	L870 L872 V902 V926 N932 E933 F934 W1040 L1043	L870-I930 HydrophobicContact CD1-CG2 4.29Å; L870-I930 HydrophobicContact CD2-CG2 3.82Å; L872-I930 HydrophobicContact CD1-CB 4.49Å; L872-I930 HydrophobicContact CD1-CG2 4.19Å; V902-I930 HydrophobicContact CG1-CD1 3.83Å; V902-I930 HydrophobicContact CG2-CD1 4.2Å; V926-I930 HydrophobicContact CG1-CD1 3.79Å; V926-I930 WeakPolarHBondContact O-CB 3.27Å; V926-I930 WeakPolarHBondContact O-CD1 3.22Å; V926-I930 VanDerWaalsContact O-CG1 3.25Å; V926-I930 WeakPolarHBondContact O-CG1 3.19Å; V926-I930 PolarHBondContact O-N 2.87Å; I930-N932 VanDerWaalsContact C-N 3.3Å; I930-N932 PolarHBondContact O-N 3.27Å; I930-E933 PolarHBondContact O-N 3.44Å; I930-E933 VanDerWaalsContact O-N 3.11Å; I930-F934 WeakPolarHBondContact O-CB 3.23Å; I930-F934 PolarHBondContact O-N 2.91Å; I930-W1040 HydrophobicContact CB-CD2 4.44Å; I930-W1040 HydrophobicContact CD1-CG 4.5Å; I930-W1040 HydrophobicContact CG1-CB 4.23Å; I930-W1040 HydrophobicContact CG1-CD2 4.32Å; I930-W1040 HydrophobicContact CG1-CG 3.97Å; I930-W1040 HydrophobicContact CG2-CD2 3.7Å; I930-W1040 HydrophobicContact CG2-CE3 4Å; I930-W1040 HydrophobicContact CG2-CG 4.2Å; I930-W1040 HydrophobicContact CG2-CH2 4.18Å; I930-W1040 HydrophobicContact CG2-CZ2 3.89Å; I930-W1040 HydrophobicContact CG2-CZ3 4.22Å; I930-L1043 HydrophobicContact CD1-CD1 4Å; I930-L1043 HydrophobicContact CD1-CD2 4.12Å; I930-L1043 HydrophobicContact CD1-CG 4.41Å; I930-L1043 HydrophobicContact CG1-CD1 4.14Å; I930-L1043 HydrophobicContact CG1-CD2 3.85Å; I930-L1043 HydrophobicContact CG1-CG 4.08Å
931	A	98.8	Very high	98.5	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-64	-32.3	-177.9	0	0	0	0	0	113.3	L847 V927 M928 A935 P936 L975	L847-A931 HydrophobicContact CD2-CB 3.74Å; V927-A931 WeakPolarHBondContact O-CB 3.42Å; V927-A931 PolarHBondContact O-N 3.37Å; M928-A931 PolarHBondContact O-N 3.46Å; A931-A935 PolarHBondContact O-N 2.9Å; A931-P936 VanDerWaalsContact O-CD 3.25Å; A931-P936 WeakPolarHBondContact O-CD 3.43Å; A931-L975 HydrophobicContact CB-CD1 3.66Å; A931-L975 HydrophobicContact CB-CD2 4.36Å
932	N	98.5	Very high	98.5	Very high	97 Å²	97	19 Å²	19	52%	0.519	10%	0.103	S	C	.	.	H	α-helix	trans	-73.3	-36.5	172.2	-79.8	-72.2	0	0	0	112.5	M928 I930 A935	M928-N932 WeakPolarHBondContact O-CB 3.41Å; M928-N932 PolarHBondContact O-N 3.05Å; M928-N932 PolarHBondContact O-ND2 3.35Å; I930-N932 VanDerWaalsContact C-N 3.3Å; I930-N932 PolarHBondContact O-N 3.27Å; N932-A935 PolarHBondContact O-N 3.23Å
933	E	98.6	Very high	98.5	Very high	75 Å²	75	19 Å²	19	35%	0.35	10%	0.103	S	C	.	.	H	α-helix	trans	-69.4	-36.5	175.2	-171.3	169.7	-172.2	0	0	111.7	P929 I930 W1040 R1041 S1042	P929-E933 PolarHBondContact O-N 3.46Å; P929-E933 VanDerWaalsContact O-N 3.11Å; I930-E933 PolarHBondContact O-N 3.44Å; I930-E933 VanDerWaalsContact O-N 3.11Å; E933-W1040 HydrophobicContact CB-CE3 3.98Å; E933-W1040 HydrophobicContact CB-CZ3 4.22Å; E933-W1040 HydrophobicContact CG-CE3 3.89Å; E933-W1040 HydrophobicContact CG-CZ3 4.21Å; E933-R1041 WeakPolarHBondContact OE1-CB 2.82Å; E933-R1041 PolarHBondContact OE1-N 2.94Å; E933-R1041 PolarHBondContact OE2-N 3.33Å; E933-S1042 WeakPolarHBondContact OE2-CB 3.43Å; E933-S1042 PolarHBondContact OE2-N 2.91Å; E933-S1042 PolarHBondContact OE2-OG 3.12Å
934	F	98.8	Very high	98.5	Very high	10 Å²	10	19 Å²	19	4%	0.044	10%	0.103	C	C	.	.	H	α-helix	trans	-69.6	-36.3	171.8	-176.7	-115.7	0	0	0	112.7	K845 I846 L847 L870 F900 I930 P936 W1040	K845-F934 HydrophobicContact CB-CE1 3.87Å; K845-F934 HydrophobicContact CB-CE2 4.28Å; K845-F934 HydrophobicContact CB-CZ 3.66Å; K845-F934 HydrophobicContact CD-CD2 4.42Å; K845-F934 HydrophobicContact CD-CE2 4.16Å; K845-F934 HydrophobicContact CD-CZ 4.38Å; K845-F934 WeakPolarHBondContact CD-O 3.27Å; K845-F934 WeakPolarHBondContact CE-O 3.48Å; K845-F934 HydrophobicContact CG-CE2 4.15Å; K845-F934 HydrophobicContact CG-CZ 4.01Å; K845-F934 PolarHBondContact NZ-O 3.29Å; I846-F934 WeakPolarHBondContact O-CE1 3.37Å; L847-F934 HydrophobicContact CB-CE1 4.44Å; L870-F934 HydrophobicContact CB-CD1 3.75Å; L870-F934 HydrophobicContact CB-CD2 4.18Å; L870-F934 HydrophobicContact CB-CE1 3.57Å; L870-F934 HydrophobicContact CB-CE2 4.02Å; L870-F934 HydrophobicContact CB-CG 4.05Å; L870-F934 HydrophobicContact CB-CZ 3.71Å; L870-F934 HydrophobicContact CD2-CB 3.61Å; L870-F934 HydrophobicContact CD2-CD1 3.66Å; L870-F934 HydrophobicContact CD2-CD2 4.28Å; L870-F934 HydrophobicContact CD2-CE1 4.36Å; L870-F934 HydrophobicContact CD2-CG 3.6Å; L870-F934 HydrophobicContact CG-CD1 4.37Å; L870-F934 HydrophobicContact CG-CG 4.49Å; F900-F934 HydrophobicContact CD1-CD2 4.14Å; F900-F934 AromaticContact CD1-CE2 3.85Å; F900-F934 HydrophobicContact CD1-CE2 3.85Å; F900-F934 AromaticContact CE1-CD2 3.91Å; F900-F934 HydrophobicContact CE1-CD2 3.91Å; F900-F934 AromaticContact CE1-CE2 3.8Å; F900-F934 HydrophobicContact CE1-CE2 3.8Å; I930-F934 WeakPolarHBondContact O-CB 3.23Å; I930-F934 PolarHBondContact O-N 2.91Å; F934-P936 HydrophobicContact CD1-CB 3.95Å; F934-P936 HydrophobicContact CD1-CG 4.43Å; F934-P936 HydrophobicContact CE1-CB 3.98Å; F934-W1040 HydrophobicContact CB-CH2 3.87Å; F934-W1040 HydrophobicContact CB-CZ3 3.94Å; F934-W1040 HydrophobicContact CD2-CH2 4.01Å; F934-W1040 HydrophobicContact CG-CH2 4.34Å
935	A	98.8	Very high	98.6	Very high	52 Å²	52	16.6 Å²	16.6	43%	0.43	10%	0.095	S	C	.	.			trans	50.4	69.9	178.8	0	0	0	0	0	113.6	K845 A931 N932	K845-A935 WeakPolarHBondContact CE-O 3.29Å; K845-A935 PolarHBondContact NZ-O 2.99Å; A931-A935 PolarHBondContact O-N 2.9Å; N932-A935 PolarHBondContact O-N 3.23Å
936	P	98.8	Very high	98.7	Very high	7 Å²	7	16.6 Å²	16.6	5%	0.045	10%	0.095	C	C	.	.			trans	-69.5	153.3	-172.3	29.1	-36.9	0	0	0	114.2	L847 A931 F934 V939 L975 A976	L847-P936 HydrophobicContact CB-CB 3.66Å; L847-P936 HydrophobicContact CB-CG 3.73Å; L847-P936 HydrophobicContact CD2-CG 4.1Å; A931-P936 VanDerWaalsContact O-CD 3.25Å; A931-P936 WeakPolarHBondContact O-CD 3.43Å; F934-P936 HydrophobicContact CD1-CB 3.95Å; F934-P936 HydrophobicContact CD1-CG 4.43Å; F934-P936 HydrophobicContact CE1-CB 3.98Å; P936-V939 HydrophobicContact CG-CG2 3.87Å; P936-L975 HydrophobicContact CG-CB 4.28Å; P936-A976 VanDerWaalsContact O-CA 3.32Å; P936-A976 WeakPolarHBondContact O-CA 3.37Å; P936-A976 WeakPolarHBondContact O-CB 3.06Å
937	D	98.8	Very high	98.7	Very high	51 Å²	51	16.6 Å²	16.6	27%	0.273	10%	0.095	S	C	.	.	S	Bend	trans	-79.6	-32.2	173	-64.4	-39.8	0	0	0	112.3	V843 S844 K845 R979	V843-D937 HydrophobicContact CG1-CB 3.64Å; S844-D937 WeakPolarHBondContact CA-OD2 3.45Å; S844-D937 WeakPolarHBondContact CB-OD2 3.36Å; S844-D937 PolarHBondContact N-OD2 2.86Å; S844-D937 PolarHBondContact OG-OD2 3.21Å; K845-D937 PolarHBondContact N-OD2 3.1Å; K845-D937 WeakPolarHBondContact O-CB 3.21Å; K845-D937 PolarHBondContact O-N 2.97Å; D937-R979 VanDerWaalsContact O-CZ 3.22Å; D937-R979 PolarHBondContact O-NE 3.25Å; D937-R979 PolarHBondContact O-NH2 2.82Å
938	V	98.9	Very high	98.6	Very high	3 Å²	3	16.9 Å²	16.9	2%	0.018	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	141.9	177.9	179	0	0	0	0	108.7	A798 L837 V843 L847 L940	A798-V938 HydrophobicContact CB-CG2 4.34Å; L837-V938 HydrophobicContact CD1-CB 4.28Å; L837-V938 HydrophobicContact CD1-CG1 3.98Å; L837-V938 HydrophobicContact CD1-CG2 4.36Å; V843-V938 HydrophobicContact CG1-CB 4.47Å; V843-V938 HydrophobicContact CG1-CG2 4.03Å; L847-V938 PolarHBondContact N-O 3.41Å; V938-L940 HydrophobicContact CG1-CD2 4.07Å
939	V	98.9	Very high	98.6	Very high	1 Å²	1	20 Å²	20	1%	0.006	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	127.8	171.5	-173.3	0	0	0	0	110.2	L847 P936 V941 L975 A976 R979 L980 V981	L847-V939 HydrophobicContact CB-CG1 4.39Å; L847-V939 HydrophobicContact CB-CG2 4.27Å; L847-V939 HydrophobicContact CD2-CG1 3.95Å; L847-V939 HydrophobicContact CD2-CG2 4.06Å; L847-V939 HydrophobicContact CG-CG1 4.08Å; L847-V939 CarbonylContact O-C 3.59Å; L847-V939 WeakPolarHBondContact O-CA 3.31Å; P936-V939 HydrophobicContact CG-CG2 3.87Å; V939-V941 HydrophobicContact CG1-CG2 4.32Å; V939-L975 HydrophobicContact CG2-CB 3.87Å; V939-L975 HydrophobicContact CG2-CD1 4.38Å; V939-A976 HydrophobicContact CG2-CB 3.91Å; V939-R979 PolarHBondContact N-O 2.83Å; V939-L980 HydrophobicContact CB-CD1 3.64Å; V939-L980 HydrophobicContact CG1-CD1 3.47Å; V939-L980 VanDerWaalsContact CG1-CD1 3.47Å; V939-L980 WeakPolarHBondContact O-CA 3.3Å; V939-V981 PolarHBondContact O-N 3.03Å
940	L	99	Very high	98.4	Very high	3 Å²	3	21.3 Å²	21.3	2%	0.016	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	148.7	168	-52.4	-177.3	0	0	0	109	V794 V830 A833 A834 I846 L847 I848 V849 V938 V981	V794-L940 HydrophobicContact CB-CD2 4.42Å; V794-L940 HydrophobicContact CG1-CD2 3.87Å; V794-L940 HydrophobicContact CG2-CD2 3.64Å; V830-L940 HydrophobicContact CG1-CB 3.86Å; V830-L940 HydrophobicContact CG1-CD1 3.99Å; A833-L940 HydrophobicContact CB-CD1 4.44Å; A834-L940 HydrophobicContact CB-CD1 3.92Å; I846-L940 HydrophobicContact CG2-CD1 4.23Å; I846-L940 HydrophobicContact CG2-CG 4.22Å; L847-L940 PolarHBondContact O-N 3.37Å; I848-L940 WeakPolarHBondContact CA-O 3.44Å; I848-L940 HydrophobicContact CG1-CB 4.38Å; V849-L940 PolarHBondContact N-O 3.02Å; V938-L940 HydrophobicContact CG1-CD2 4.07Å; L940-V981 CarbonylContact C-O 3.19Å; L940-V981 WeakPolarHBondContact CA-O 3.45Å; L940-V981 HydrophobicContact CD2-CB 4.24Å
941	V	99	Very high	98.4	Very high	1 Å²	1	21.7 Å²	21.7	1%	0.006	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	116.9	176.4	-172.6	0	0	0	0	110.4	V849 W851 V939 S943 L972 L980 V981 L982 A983	V849-V941 HydrophobicContact CB-CG2 4.46Å; V849-V941 CarbonylContact O-C 3.52Å; V849-V941 WeakPolarHBondContact O-CA 3.41Å; W851-V941 HydrophobicContact CD2-CG1 3.75Å; W851-V941 HydrophobicContact CE3-CG1 3.88Å; W851-V941 HydrophobicContact CG-CG1 4.37Å; W851-V941 HydrophobicContact CH2-CG1 4.03Å; W851-V941 HydrophobicContact CZ2-CG1 3.91Å; W851-V941 HydrophobicContact CZ3-CG1 4.02Å; V939-V941 HydrophobicContact CG1-CG2 4.32Å; V941-S943 PolarHBondContact O-N 3.2Å; V941-L972 HydrophobicContact CG2-CD1 3.69Å; V941-L980 HydrophobicContact CG2-CD1 3.67Å; V941-V981 PolarHBondContact N-O 3.03Å; V941-L982 HydrophobicContact CB-CB 4.5Å; V941-L982 HydrophobicContact CB-CD1 4.05Å; V941-L982 HydrophobicContact CB-CG 3.92Å; V941-L982 HydrophobicContact CG1-CG 4.32Å; V941-L982 HydrophobicContact CG2-CD1 3.85Å; V941-L982 HydrophobicContact CG2-CG 4.26Å; V941-A983 PolarHBondContact O-N 3.21Å
942	S	98.9	Very high	98.2	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	102.4	161.8	-85.6	0	0	0	0	106.8	V830 V849 D850 W851 E985	V830-S942 WeakPolarHBondContact CG2-OG 3.32Å; V849-S942 PolarHBondContact O-N 3.14Å; D850-S942 VanDerWaalsContact CG-CB 3.49Å; D850-S942 VanDerWaalsContact OD1-CB 3.29Å; D850-S942 WeakPolarHBondContact OD1-CB 3.37Å; W851-S942 PolarHBondContact N-O 2.88Å; W851-S942 VanDerWaalsContact N-O 3.13Å; S942-E985 WeakPolarHBondContact CB-OE1 3.33Å; S942-E985 PolarHBondContact OG-OE1 3.25Å
943	S	98.8	Very high	98	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	66.4	-161.3	178.3	0	0	0	0	111.1	W851 V941 F945 A983 E985	W851-S943 PolarHBondContact NE1-OG 3.42Å; V941-S943 PolarHBondContact O-N 3.2Å; S943-F945 VanDerWaalsContact OG-CZ 3.3Å; S943-F945 WeakPolarHBondContact OG-CZ 3.41Å; S943-A983 WeakPolarHBondContact CA-O 3.5Å; S943-A983 VanDerWaalsContact CB-O 3.28Å; S943-A983 WeakPolarHBondContact CB-O 3.17Å; S943-A983 PolarHBondContact N-O 2.94Å; S943-E985 PolarHBondContact O-N 3.06Å
944	G	98.6	Very high	97.8	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	17%	0.168	C	C	.	.			trans	-65.9	163.4	163.8	0	0	0	0	0	112.5	W851 D852	W851-G944 PolarHBondContact NE1-O 3.35Å; D852-G944 WeakPolarHBondContact OD2-CA 3.5Å
945	F	98.8	Very high	97.5	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	18%	0.18	C	C	.	.			trans	-140.4	19.1	-178.3	-67	-48.4	0	0	0	113.1	F806 W851 S943 A947 V948 H951 F965 L984 I993 A996 S997	F806-F945 HydrophobicContact CE2-CE2 4.26Å; F806-F945 HydrophobicContact CE2-CZ 4.01Å; F806-F945 AromaticContact CZ-CE2 3.91Å; F806-F945 HydrophobicContact CZ-CE2 3.91Å; F806-F945 HydrophobicContact CZ-CZ 4.14Å; W851-F945 HydrophobicContact CZ2-CE1 4.5Å; W851-F945 AromaticContact NE1-CE1 3.93Å; S943-F945 VanDerWaalsContact OG-CZ 3.3Å; S943-F945 WeakPolarHBondContact OG-CZ 3.41Å; F945-A947 VanDerWaalsContact C-N 3.34Å; F945-V948 HydrophobicContact CB-CG2 4.26Å; F945-V948 WeakPolarHBondContact O-CB 3.35Å; F945-V948 VanDerWaalsContact O-CG2 3.24Å; F945-V948 WeakPolarHBondContact O-CG2 3.37Å; F945-V948 PolarHBondContact O-N 3.5Å; F945-H951 PolarHBondContact O-CE1 3.08Å; F945-F965 AromaticContact CD1-CD1 3.98Å; F945-F965 HydrophobicContact CD1-CD1 3.98Å; F945-F965 HydrophobicContact CD1-CD2 4.48Å; F945-F965 HydrophobicContact CD1-CE1 4.09Å; F945-F965 HydrophobicContact CD1-CG 4.17Å; F945-F965 HydrophobicContact CD1-CZ 4.4Å; F945-F965 HydrophobicContact CE1-CB 4.35Å; F945-F965 AromaticContact CE1-CD1 3.88Å; F945-F965 HydrophobicContact CE1-CD1 3.88Å; F945-F965 HydrophobicContact CE1-CE1 4.39Å; F945-F965 HydrophobicContact CE1-CG 4.08Å; F945-L984 HydrophobicContact CD2-CD1 3.71Å; F945-L984 HydrophobicContact CE2-CD1 3.88Å; F945-I993 HydrophobicContact CB-CB 4.46Å; F945-I993 HydrophobicContact CB-CG2 3.9Å; F945-I993 HydrophobicContact CD2-CB 4.34Å; F945-A996 HydrophobicContact CB-CB 4.31Å; F945-A996 HydrophobicContact CD1-CB 3.49Å; F945-A996 VanDerWaalsContact CD1-CB 3.49Å; F945-A996 HydrophobicContact CD2-CB 4.1Å; F945-A996 HydrophobicContact CE1-CB 3.68Å; F945-A996 HydrophobicContact CE2-CB 4.25Å; F945-A996 HydrophobicContact CG-CB 3.72Å; F945-A996 HydrophobicContact CZ-CB 4.06Å; F945-S997 WeakPolarHBondContact CE2-OG 3.47Å
946	D	98	Very high	97.4	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81	-9.4	176.6	24.2	33.8	0	0	0	114.4	V853 H854 V948 H951 L955 G987 H988	V853-D946 HydrophobicContact CB-CB 4.46Å; V853-D946 HydrophobicContact CG1-CB 3.74Å; V853-D946 WeakPolarHBondContact CG1-OD1 3.38Å; V853-D946 PolarHBondContact N-OD1 2.97Å; V853-D946 VanDerWaalsContact N-OD1 3.07Å; H854-D946 IonicContact CE1-OD2 3.16Å; H854-D946 PolarHBondContact CE1-OD2 2.72Å; H854-D946 IonicContact ND1-OD2 2.75Å; D946-V948 PolarHBondContact O-N 3.31Å; D946-H951 WeakPolarHBondContact O-CB 3.16Å; D946-H951 PolarHBondContact O-ND1 3.04Å; D946-L955 WeakPolarHBondContact CB-O 3.5Å; D946-G987 PolarHBondContact OD2-N 3.23Å; D946-H988 IonicContact OD2-CE1 2.77Å; D946-H988 PolarHBondContact OD2-CE1 3.5Å; D946-H988 IonicContact OD2-ND1 2.72Å
947	A	98.5	Very high	97.3	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.4	-15.6	166.5	0	0	0	0	0	112.9	V853 F945 Y958 L960 F965	V853-A947 HydrophobicContact CB-CB 4.06Å; V853-A947 HydrophobicContact CG2-CB 4.1Å; F945-A947 VanDerWaalsContact C-N 3.34Å; A947-Y958 HydrophobicContact CB-CD2 4.31Å; A947-Y958 CarbonylContact O-C 3.58Å; A947-Y958 VanDerWaalsContact O-CB 3.3Å; A947-Y958 WeakPolarHBondContact O-CB 3.1Å; A947-L960 HydrophobicContact CB-CD1 4.19Å; A947-L960 HydrophobicContact CB-CD2 4.33Å; A947-L960 WeakPolarHBondContact O-CB 3.31Å; A947-L960 WeakPolarHBondContact O-CD1 3.28Å; A947-L960 PolarHBondContact O-N 3.04Å; A947-L960 VanDerWaalsContact O-N 3.1Å; A947-F965 HydrophobicContact CB-CZ 4.32Å
948	V	98.4	Very high	97.3	Very high	6 Å²	6	21.7 Å²	21.7	4%	0.036	15%	0.146	C	C	.	.	B	Isolated β-bridge	trans	-69.1	148.4	176.1	-174.9	0	0	0	0	110.4	F945 D946 H951 L960 F965 A992 A996	F945-V948 HydrophobicContact CB-CG2 4.26Å; F945-V948 WeakPolarHBondContact O-CB 3.35Å; F945-V948 VanDerWaalsContact O-CG2 3.24Å; F945-V948 WeakPolarHBondContact O-CG2 3.37Å; F945-V948 PolarHBondContact O-N 3.5Å; D946-V948 PolarHBondContact O-N 3.31Å; V948-H951 PolarHBondContact O-ND1 3.34Å; V948-L960 CarbonylContact C-O 3.6Å; V948-L960 WeakPolarHBondContact CA-O 3.17Å; V948-L960 WeakPolarHBondContact CG1-O 3.39Å; V948-F965 HydrophobicContact CG2-CD2 3.89Å; V948-F965 HydrophobicContact CG2-CE2 3.38Å; V948-F965 HydrophobicContact CG2-CZ 4.19Å; V948-A992 HydrophobicContact CB-CB 4.03Å; V948-A992 HydrophobicContact CG1-CB 3.68Å; V948-A996 HydrophobicContact CG2-CB 4.24Å
949	D	97.5	Very high	97.3	Very high	88 Å²	88	25.5 Å²	25.5	47%	0.471	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.4	155.7	171.3	-164.7	16	0	0	0	112.7	K959 L960	D949-K959 HydrophobicContact CB-CD 4.22Å; D949-K959 VanDerWaalsContact OD1-CD 3.28Å; D949-K959 WeakPolarHBondContact OD1-CD 3.41Å; D949-K959 VanDerWaalsContact OD1-CE 3.31Å; D949-K959 WeakPolarHBondContact OD1-CE 3.41Å; D949-K959 IonicContact OD1-NZ 2.81Å; D949-K959 PolarHBondContact OD1-NZ 3.41Å; D949-L960 PolarHBondContact N-O 3.11Å
950	G	94.4	Very high	97.2	Very high	53 Å²	53	25.5 Å²	25.5	55%	0.546	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	99.4	-25.7	-168.1	0	0	0	0	0	113.5
951	H	97.4	Very high	97.2	Very high	9 Å²	9	27.8 Å²	27.8	4%	0.042	18%	0.176	C	C	.	.			trans	-78.1	132.5	179.2	-63	89.1	0	0	0	112.5	F945 D946 V948 H988 D989	F945-H951 PolarHBondContact O-CE1 3.08Å; D946-H951 WeakPolarHBondContact O-CB 3.16Å; D946-H951 PolarHBondContact O-ND1 3.04Å; V948-H951 PolarHBondContact O-ND1 3.34Å; H951-H988 PolarHBondContact NE2-N 3.05Å; H951-D989 PolarHBondContact NE2-N 2.9Å
952	A	94.3	Very high	97.1	Very high	50 Å²	50	28.5 Å²	28.5	41%	0.413	18%	0.182	S	C	.	.			trans	-72.7	151.1	179.9	0	0	0	0	0	111.7	P954 L955 G956 G957	A952-P954 VanDerWaalsContact C-N 3.29Å; A952-P954 WeakPolarHBondContact O-CD 3.35Å; A952-L955 CarbonylContact O-C 3.55Å; A952-L955 PolarHBondContact O-N 3.47Å; A952-G956 PolarHBondContact O-N 2.91Å; A952-G957 PolarHBondContact O-N 3.47Å
953	P	95.8	Very high	96.9	Very high	77 Å²	77	32.4 Å²	32.4	50%	0.5	20%	0.199	S	C	.	.	G	3₁₀ helix	trans	-48.3	-31	-179.8	-32.1	37.6	0	0	0	118.2	R876 L910	R876-P953 PolarHBondContact NH1-O 3.34Å; L910-P953 HydrophobicContact CD1-CB 3.67Å; L910-P953 HydrophobicContact CD1-CG 3.96Å
954	P	93.8	Very high	96.9	Very high	104 Å²	104	32.4 Å²	32.4	68%	0.675	20%	0.199	S	C	*	.	G	3₁₀ helix	trans	-77.6	-14.5	175.2	-18.1	33.9	0	0	0	115.3	A952	A952-P954 VanDerWaalsContact C-N 3.29Å; A952-P954 WeakPolarHBondContact O-CD 3.35Å
955	L	92.8	Very high	96.9	Very high	58 Å²	58	32.4 Å²	32.4	30%	0.304	20%	0.199	S	C	.	.	G	3₁₀ helix	trans	-118.1	20.2	-178.1	-64.6	175.7	0	0	0	112	P694 D946 A952	P694-L955 HydrophobicContact CB-CD1 4.26Å; D946-L955 WeakPolarHBondContact CB-O 3.5Å; A952-L955 CarbonylContact O-C 3.55Å; A952-L955 PolarHBondContact O-N 3.47Å
956	G	95.7	Very high	96.8	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	20%	0.201	C	C	.	.			trans	141.8	-88.1	-175.7	0	0	0	0	0	111.3	R876 A952	R876-G956 WeakPolarHBondContact CD-O 3.48Å; R876-G956 PolarHBondContact NH1-O 2.97Å; A952-G956 PolarHBondContact O-N 2.91Å
957	G	97.1	Very high	96.8	Very high	3 Å²	3	35.5 Å²	35.5	3%	0.031	21%	0.212	C	C	.	.			trans	91.9	-4.1	176.5	0	0	0	0	0	115.8	A952	A952-G957 PolarHBondContact O-N 3.47Å
958	Y	98.6	Very high	96.8	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	21%	0.212	C	C	.	.			trans	-70.2	176	175	-72.8	-2.7	0	0	0	112.7	V853 R876 F906 L910 P913 M914 Y919 A947	V853-Y958 HydrophobicContact CG2-CD2 3.74Å; V853-Y958 HydrophobicContact CG2-CE2 4.03Å; V853-Y958 HydrophobicContact CG2-CG 4.26Å; R876-Y958 WeakPolarHBondContact CA-OH 3.2Å; R876-Y958 HydrophobicContact CB-CE1 4.27Å; R876-Y958 HydrophobicContact CB-CE2 4.03Å; R876-Y958 WeakPolarHBondContact CB-OH 3.42Å; R876-Y958 HydrophobicContact CG-CE1 4.09Å; R876-Y958 WeakPolarHBondContact CG-OH 3.38Å; F906-Y958 WeakPolarHBondContact CB-OH 3.47Å; F906-Y958 HydrophobicContact CD2-CE2 4.4Å; L910-Y958 HydrophobicContact CD2-CD1 3.72Å; L910-Y958 HydrophobicContact CD2-CE1 3.83Å; P913-Y958 HydrophobicContact CB-CD1 4.47Å; M914-Y958 HydrophobicContact CB-CD1 4.08Å; M914-Y958 HydrophobicContact CB-CD2 3.87Å; M914-Y958 HydrophobicContact CB-CE1 4.01Å; M914-Y958 HydrophobicContact CB-CE2 3.8Å; M914-Y958 HydrophobicContact CB-CG 4.01Å; M914-Y958 HydrophobicContact CG-CD1 4.25Å; M914-Y958 HydrophobicContact CG-CD2 4.34Å; M914-Y958 HydrophobicContact CG-CE1 3.67Å; M914-Y958 HydrophobicContact CG-CE2 3.78Å; M914-Y958 VanDerWaalsContact CG-CZ 3.4Å; M914-Y958 WeakPolarHBondContact O-CB 3.5Å; Y919-Y958 AromaticContact CE2-CD2 3.97Å; Y919-Y958 HydrophobicContact CE2-CD2 3.97Å; Y919-Y958 HydrophobicContact CE2-CE2 4.07Å; A947-Y958 HydrophobicContact CB-CD2 4.31Å; A947-Y958 CarbonylContact O-C 3.58Å; A947-Y958 VanDerWaalsContact O-CB 3.3Å; A947-Y958 WeakPolarHBondContact O-CB 3.1Å
959	K	98	Very high	96.9	Very high	83 Å²	83	35.2 Å²	35.2	36%	0.361	21%	0.21	S	C	.	.	B	Isolated β-bridge	trans	-135	36.3	-167.3	-62	-71.9	154.1	-108.3	0	112.1	P913 M914 D949	P913-K959 HydrophobicContact CB-CG 3.77Å; P913-K959 HydrophobicContact CG-CG 3.99Å; M914-K959 PolarHBondContact O-N 3.42Å; D949-K959 HydrophobicContact CB-CD 4.22Å; D949-K959 VanDerWaalsContact OD1-CD 3.28Å; D949-K959 WeakPolarHBondContact OD1-CD 3.41Å; D949-K959 VanDerWaalsContact OD1-CE 3.31Å; D949-K959 WeakPolarHBondContact OD1-CE 3.41Å; D949-K959 IonicContact OD1-NZ 2.81Å; D949-K959 PolarHBondContact OD1-NZ 3.41Å
960	L	98.3	Very high	96.9	Very high	1 Å²	1	35.1 Å²	35.1	1%	0.005	20%	0.204	C	C	.	.	B	Isolated β-bridge	trans	-70	150.7	172.3	-80.9	70.9	0	0	0	110.5	D916 Y919 A947 V948 D949 F965	D916-L960 VanDerWaalsContact OD1-CA 3.25Å; D916-L960 WeakPolarHBondContact OD1-CA 3.16Å; Y919-L960 HydrophobicContact CD1-CD2 3.77Å; Y919-L960 HydrophobicContact CD2-CD1 3.68Å; Y919-L960 HydrophobicContact CD2-CD2 3.98Å; Y919-L960 HydrophobicContact CD2-CG 4.27Å; Y919-L960 HydrophobicContact CE1-CD2 4.15Å; Y919-L960 HydrophobicContact CE2-CD1 3.77Å; Y919-L960 HydrophobicContact CE2-CD2 4.33Å; Y919-L960 HydrophobicContact CG-CD1 4.25Å; Y919-L960 HydrophobicContact CG-CD2 3.68Å; Y919-L960 HydrophobicContact CG-CG 4.36Å; A947-L960 HydrophobicContact CB-CD1 4.19Å; A947-L960 HydrophobicContact CB-CD2 4.33Å; A947-L960 WeakPolarHBondContact O-CB 3.31Å; A947-L960 WeakPolarHBondContact O-CD1 3.28Å; A947-L960 PolarHBondContact O-N 3.04Å; A947-L960 VanDerWaalsContact O-N 3.1Å; V948-L960 CarbonylContact C-O 3.6Å; V948-L960 WeakPolarHBondContact CA-O 3.17Å; V948-L960 WeakPolarHBondContact CG1-O 3.39Å; D949-L960 PolarHBondContact N-O 3.11Å; L960-F965 HydrophobicContact CB-CE2 3.92Å; L960-F965 HydrophobicContact CD2-CD2 4.46Å; L960-F965 HydrophobicContact CD2-CE2 3.56Å; L960-F965 HydrophobicContact CD2-CZ 3.64Å; L960-F965 HydrophobicContact CG-CE2 4.42Å
961	T	97.8	Very high	97.1	Very high	51 Å²	51	35.3 Å²	35.3	31%	0.313	19%	0.19	S	C	.	.			trans	-88	148.6	166.5	72.6	0	0	0	0	110.3	D916 K963 C964	D916-T961 PolarHBondContact OD1-N 2.95Å; D916-T961 PolarHBondContact OD1-OG1 3.13Å; D916-T961 WeakPolarHBondContact OD2-CB 3.5Å; D916-T961 VanDerWaalsContact OD2-CG2 3.28Å; D916-T961 WeakPolarHBondContact OD2-CG2 3.47Å; D916-T961 PolarHBondContact OD2-OG1 3.38Å; T961-K963 PolarHBondContact O-N 3.37Å; T961-K963 VanDerWaalsContact O-N 3.14Å; T961-K963 PolarHBondContact OG1-N 3.01Å; T961-C964 WeakPolarHBondContact O-CB 3.43Å; T961-C964 PolarHBondContact O-N 3.05Å; T961-C964 VanDerWaalsContact O-N 3.11Å; T961-C964 PolarHBondContact OG1-N 3.35Å
962	A	96.8	Very high	97.2	Very high	16 Å²	16	34.9 Å²	34.9	13%	0.132	19%	0.188	C	C	.	.	H	α-helix	trans	-53.8	-29.8	167.9	0	0	0	0	0	113	F965 D995 A996 A999	A962-F965 PolarHBondContact O-N 3.27Å; A962-D995 HydrophobicContact CB-CB 3.51Å; A962-A996 HydrophobicContact CB-CB 4.1Å; A962-A999 VanDerWaalsContact O-CB 3.25Å; A962-A999 WeakPolarHBondContact O-CB 3.45Å
963	K	95.8	Very high	97.4	Very high	82 Å²	82	33.8 Å²	33.8	36%	0.357	18%	0.175	S	C	.	.	H	α-helix	trans	-66.3	-39.7	178.1	-62.6	-170.3	179.8	-166.4	0	112	T961 F965 S966 D1010	T961-K963 PolarHBondContact O-N 3.37Å; T961-K963 VanDerWaalsContact O-N 3.14Å; T961-K963 PolarHBondContact OG1-N 3.01Å; K963-F965 VanDerWaalsContact C-N 3.27Å; K963-F965 PolarHBondContact O-N 3.15Å; K963-S966 WeakPolarHBondContact O-CB 3.27Å; K963-S966 PolarHBondContact O-N 3.49Å; K963-S966 PolarHBondContact O-OG 3.46Å; K963-D1010 HydrophobicContact CD-CB 3.92Å; K963-D1010 VanDerWaalsContact CE-OD2 3.27Å; K963-D1010 WeakPolarHBondContact CE-OD2 3.48Å; K963-D1010 IonicContact NZ-OD2 3.59Å; K963-D1010 PolarHBondContact NZ-OD2 3.08Å
964	C	98.1	Very high	97.5	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-53.5	-44.3	178	-173.6	0	0	0	0	112.1	D916 T961 S966 Y967 L968	D916-C964 HydrophobicContact CB-CB 4.26Å; D916-C964 VanDerWaalsContact CG-CB 3.46Å; D916-C964 WeakPolarHBondContact OD1-CB 3.38Å; T961-C964 WeakPolarHBondContact O-CB 3.43Å; T961-C964 PolarHBondContact O-N 3.05Å; T961-C964 VanDerWaalsContact O-N 3.11Å; T961-C964 PolarHBondContact OG1-N 3.35Å; C964-S966 PolarHBondContact O-N 3.4Å; C964-S966 VanDerWaalsContact O-N 3.14Å; C964-Y967 WeakPolarHBondContact O-CA 3.36Å; C964-Y967 WeakPolarHBondContact O-CB 3.42Å; C964-Y967 PolarHBondContact O-N 3.03Å; C964-L968 WeakPolarHBondContact O-CG 3.47Å; C964-L968 PolarHBondContact O-N 3.49Å
965	F	98.5	Very high	97.7	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-58.5	-28.2	177.5	-73.6	-85.5	0	0	0	113.9	W851 F945 A947 V948 L960 A962 K963 L968 T969	W851-F965 HydrophobicContact CB-CE1 4.47Å; W851-F965 AromaticContact CD1-CE1 3.51Å; W851-F965 AromaticContact CD2-CD1 3.96Å; W851-F965 HydrophobicContact CD2-CD1 3.96Å; W851-F965 AromaticContact CD2-CE1 3.99Å; W851-F965 HydrophobicContact CD2-CE1 3.99Å; W851-F965 AromaticContact CE2-CD1 3.56Å; W851-F965 AromaticContact CE2-CE1 3.87Å; W851-F965 HydrophobicContact CG-CD1 4.27Å; W851-F965 AromaticContact CG-CE1 3.79Å; W851-F965 HydrophobicContact CG-CE1 3.79Å; W851-F965 AromaticContact CZ2-CD1 3.91Å; W851-F965 HydrophobicContact CZ2-CD1 3.91Å; W851-F965 AromaticContact NE1-CD1 3.57Å; W851-F965 AromaticContact NE1-CE1 3.52Å; F945-F965 AromaticContact CD1-CD1 3.98Å; F945-F965 HydrophobicContact CD1-CD1 3.98Å; F945-F965 HydrophobicContact CD1-CD2 4.48Å; F945-F965 HydrophobicContact CD1-CE1 4.09Å; F945-F965 HydrophobicContact CD1-CG 4.17Å; F945-F965 HydrophobicContact CD1-CZ 4.4Å; F945-F965 HydrophobicContact CE1-CB 4.35Å; F945-F965 AromaticContact CE1-CD1 3.88Å; F945-F965 HydrophobicContact CE1-CD1 3.88Å; F945-F965 HydrophobicContact CE1-CE1 4.39Å; F945-F965 HydrophobicContact CE1-CG 4.08Å; A947-F965 HydrophobicContact CB-CZ 4.32Å; V948-F965 HydrophobicContact CG2-CD2 3.89Å; V948-F965 HydrophobicContact CG2-CE2 3.38Å; V948-F965 HydrophobicContact CG2-CZ 4.19Å; L960-F965 HydrophobicContact CB-CE2 3.92Å; L960-F965 HydrophobicContact CD2-CD2 4.46Å; L960-F965 HydrophobicContact CD2-CE2 3.56Å; L960-F965 HydrophobicContact CD2-CZ 3.64Å; L960-F965 HydrophobicContact CG-CE2 4.42Å; A962-F965 PolarHBondContact O-N 3.27Å; K963-F965 VanDerWaalsContact C-N 3.27Å; K963-F965 PolarHBondContact O-N 3.15Å; F965-L968 HydrophobicContact CD1-CD1 4.34Å; F965-T969 VanDerWaalsContact O-CB 3.3Å; F965-T969 WeakPolarHBondContact O-CB 3.47Å; F965-T969 PolarHBondContact O-N 3.44Å; F965-T969 PolarHBondContact O-OG1 3.04Å
966	S	97.2	Very high	98	Very high	5 Å²	5	26.4 Å²	26.4	4%	0.035	14%	0.143	C	C	.	.	H	α-helix	trans	-68.9	-33.4	171.8	76.9	0	0	0	0	113.1	K963 C964 R970 A999 A1003	K963-S966 WeakPolarHBondContact O-CB 3.27Å; K963-S966 PolarHBondContact O-N 3.49Å; K963-S966 PolarHBondContact O-OG 3.46Å; C964-S966 PolarHBondContact O-N 3.4Å; C964-S966 VanDerWaalsContact O-N 3.14Å; S966-R970 VanDerWaalsContact O-CB 3.31Å; S966-R970 WeakPolarHBondContact O-CB 3.18Å; S966-R970 PolarHBondContact O-N 2.96Å; S966-A999 VanDerWaalsContact CB-O 3.26Å; S966-A999 WeakPolarHBondContact CB-O 3.24Å; S966-A1003 WeakPolarHBondContact O-CB 3.34Å
967	Y	98.3	Very high	98	Very high	59 Å²	59	30.2 Å²	30.2	23%	0.231	18%	0.182	C	C	.	.	H	α-helix	trans	-76.1	-37.8	174.2	-75.5	-91.7	0	0	0	112	C964 R970 Q971 L1009 D1010 P1011 I1012	C964-Y967 WeakPolarHBondContact O-CA 3.36Å; C964-Y967 WeakPolarHBondContact O-CB 3.42Å; C964-Y967 PolarHBondContact O-N 3.03Å; Y967-R970 PolarHBondContact O-N 2.6Å; Y967-Q971 WeakPolarHBondContact O-CG 3.46Å; Y967-Q971 PolarHBondContact O-N 3.33Å; Y967-Q971 PolarHBondContact O-NE2 2.95Å; Y967-L1009 HydrophobicContact CD1-CD1 4.11Å; Y967-L1009 HydrophobicContact CD2-CD1 4.2Å; Y967-L1009 HydrophobicContact CE1-CD1 4.09Å; Y967-L1009 HydrophobicContact CE2-CB 4.15Å; Y967-L1009 HydrophobicContact CE2-CD1 4.17Å; Y967-L1009 HydrophobicContact CG-CD1 4.17Å; Y967-D1010 WeakPolarHBondContact CE2-O 3.43Å; Y967-D1010 PolarHBondContact OH-O 3.37Å; Y967-P1011 WeakPolarHBondContact OH-CA 3.44Å; Y967-I1012 HydrophobicContact CD1-CD1 3.99Å; Y967-I1012 HydrophobicContact CD1-CG1 4.4Å; Y967-I1012 HydrophobicContact CD2-CD1 3.89Å; Y967-I1012 HydrophobicContact CD2-CG1 3.7Å; Y967-I1012 HydrophobicContact CE1-CD1 4.1Å; Y967-I1012 HydrophobicContact CE1-CG1 4.14Å; Y967-I1012 HydrophobicContact CE2-CD1 4.02Å; Y967-I1012 HydrophobicContact CE2-CG1 3.4Å; Y967-I1012 VanDerWaalsContact CE2-CG1 3.4Å; Y967-I1012 HydrophobicContact CG-CD1 3.88Å; Y967-I1012 HydrophobicContact CG-CG1 4.2Å
968	L	98.8	Very high	98	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-62.1	-47	171.3	-53.7	-170.8	0	0	0	110.1	W851 Y919 L920 F923 C964 F965 R970 Q971 L972	W851-L968 HydrophobicContact CE3-CB 4.07Å; W851-L968 HydrophobicContact CE3-CD1 4.29Å; W851-L968 HydrophobicContact CH2-CB 4.38Å; W851-L968 HydrophobicContact CZ3-CB 3.65Å; Y919-L968 HydrophobicContact CD1-CD1 4.24Å; L920-L968 HydrophobicContact CD2-CD2 4.13Å; F923-L968 HydrophobicContact CB-CD2 4.37Å; F923-L968 HydrophobicContact CD1-CD2 3.97Å; F923-L968 HydrophobicContact CD2-CD1 4.42Å; F923-L968 HydrophobicContact CD2-CD2 3.71Å; F923-L968 HydrophobicContact CE1-CB 4.01Å; F923-L968 HydrophobicContact CE1-CD2 4.16Å; F923-L968 HydrophobicContact CE2-CB 4.43Å; F923-L968 HydrophobicContact CE2-CD1 3.9Å; F923-L968 HydrophobicContact CE2-CD2 3.91Å; F923-L968 HydrophobicContact CE2-CG 4.28Å; F923-L968 HydrophobicContact CG-CD2 3.74Å; F923-L968 HydrophobicContact CZ-CB 3.93Å; F923-L968 HydrophobicContact CZ-CD1 4.17Å; F923-L968 HydrophobicContact CZ-CD2 4.14Å; F923-L968 HydrophobicContact CZ-CG 4.28Å; C964-L968 WeakPolarHBondContact O-CG 3.47Å; C964-L968 PolarHBondContact O-N 3.49Å; F965-L968 HydrophobicContact CD1-CD1 4.34Å; L968-R970 PolarHBondContact O-N 3Å; L968-Q971 PolarHBondContact O-N 2.96Å; L968-L972 WeakPolarHBondContact O-CG 3.42Å; L968-L972 PolarHBondContact O-N 3.02Å; L968-L972 VanDerWaalsContact O-N 3.09Å
969	T	98.8	Very high	98	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-55.2	-48.8	172.3	-57.2	0	0	0	0	111.4	W851 F965 Q971 L972 M973 L980 L982 C1000 A1003 L1004	W851-T969 WeakPolarHBondContact CH2-OG1 3.28Å; F965-T969 VanDerWaalsContact O-CB 3.3Å; F965-T969 WeakPolarHBondContact O-CB 3.47Å; F965-T969 PolarHBondContact O-N 3.44Å; F965-T969 PolarHBondContact O-OG1 3.04Å; T969-Q971 VanDerWaalsContact C-N 3.33Å; T969-Q971 PolarHBondContact O-N 3.08Å; T969-L972 PolarHBondContact O-N 3.08Å; T969-M973 HydrophobicContact CG2-CG 4.44Å; T969-M973 HydrophobicContact CG2-SD 4.11Å; T969-M973 VanDerWaalsContact O-CG 3.28Å; T969-M973 WeakPolarHBondContact O-CG 3.33Å; T969-M973 PolarHBondContact O-N 3.21Å; T969-L980 HydrophobicContact CG2-CD2 4.13Å; T969-L982 HydrophobicContact CG2-CD2 4.41Å; T969-C1000 PolarHBondContact OG1-SG 3.48Å; T969-A1003 HydrophobicContact CG2-CB 3.9Å; T969-L1004 HydrophobicContact CG2-CD2 3.7Å; T969-L1004 HydrophobicContact CG2-CG 3.94Å
970	R	98.3	Very high	98.1	Very high	87 Å²	87	31 Å²	31	33%	0.328	18%	0.183	S	C	.	.	H	α-helix	trans	-63.7	-34.9	-178.6	-174.3	62	60.7	128.1	11.1	113	S966 Y967 L968 A1003 N1007 L1009	S966-R970 VanDerWaalsContact O-CB 3.31Å; S966-R970 WeakPolarHBondContact O-CB 3.18Å; S966-R970 PolarHBondContact O-N 2.96Å; Y967-R970 PolarHBondContact O-N 2.6Å; L968-R970 PolarHBondContact O-N 3Å; R970-A1003 PolarHBondContact NH2-O 2.94Å; R970-N1007 PolarHBondContact NH2-O 3.49Å; R970-L1009 HydrophobicContact CB-CD1 4.02Å; R970-L1009 HydrophobicContact CG-CD1 4.29Å
971	Q	98.6	Very high	98.1	Very high	57 Å²	57	31 Å²	31	27%	0.266	18%	0.184	S	C	.	.	H	α-helix	trans	-66.2	-47.7	173.3	-75.2	177.1	88.7	0	0	111.3	F923 M928 Y967 L968 T969 M973 G974	F923-Q971 HydrophobicContact CD1-CB 4.42Å; M928-Q971 HydrophobicContact CE-CB 4.14Å; M928-Q971 WeakPolarHBondContact CE-O 3.2Å; M928-Q971 HydrophobicContact CG-CB 4.34Å; M928-Q971 HydrophobicContact SD-CB 3.9Å; Y967-Q971 WeakPolarHBondContact O-CG 3.46Å; Y967-Q971 PolarHBondContact O-N 3.33Å; Y967-Q971 PolarHBondContact O-NE2 2.95Å; L968-Q971 PolarHBondContact O-N 2.96Å; T969-Q971 VanDerWaalsContact C-N 3.33Å; T969-Q971 PolarHBondContact O-N 3.08Å; Q971-M973 VanDerWaalsContact C-N 3.26Å; Q971-M973 PolarHBondContact O-N 3.12Å; Q971-G974 PolarHBondContact O-N 2.96Å
972	L	98.8	Very high	98.1	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-64.9	-28.7	177.8	-62.1	-179.7	0	0	0	113	V849 W851 F923 M928 V941 L968 T969 G974 L975 L980	V849-L972 HydrophobicContact CB-CD1 4.15Å; V849-L972 HydrophobicContact CG1-CD1 4.31Å; V849-L972 HydrophobicContact CG2-CD1 4.04Å; V849-L972 HydrophobicContact CG2-CD2 3.92Å; W851-L972 HydrophobicContact CE3-CD1 4.39Å; W851-L972 HydrophobicContact CZ3-CD1 3.83Å; F923-L972 HydrophobicContact CE1-CD1 4.41Å; F923-L972 HydrophobicContact CE1-CD2 4.02Å; F923-L972 HydrophobicContact CE1-CG 4.05Å; M928-L972 HydrophobicContact SD-CD2 3.97Å; V941-L972 HydrophobicContact CG2-CD1 3.69Å; L968-L972 WeakPolarHBondContact O-CG 3.42Å; L968-L972 PolarHBondContact O-N 3.02Å; L968-L972 VanDerWaalsContact O-N 3.09Å; T969-L972 PolarHBondContact O-N 3.08Å; L972-G974 PolarHBondContact O-N 2.82Å; L972-L975 HydrophobicContact CD2-CD1 3.93Å; L972-L975 WeakPolarHBondContact O-CB 3.41Å; L972-L975 PolarHBondContact O-N 3.43Å; L972-L980 HydrophobicContact CB-CD1 4.02Å; L972-L980 HydrophobicContact CB-CD2 4.11Å
973	M	98.5	Very high	98.3	Very high	27 Å²	27	28 Å²	28	13%	0.133	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-15.3	171.5	-72.9	172.4	65.5	0	0	114.2	T969 Q971 L975 G978 L980 A1003 L1004	T969-M973 HydrophobicContact CG2-CG 4.44Å; T969-M973 HydrophobicContact CG2-SD 4.11Å; T969-M973 VanDerWaalsContact O-CG 3.28Å; T969-M973 WeakPolarHBondContact O-CG 3.33Å; T969-M973 PolarHBondContact O-N 3.21Å; Q971-M973 VanDerWaalsContact C-N 3.26Å; Q971-M973 PolarHBondContact O-N 3.12Å; M973-L975 VanDerWaalsContact C-N 3.3Å; M973-G978 WeakPolarHBondContact O-CA 3.43Å; M973-L980 HydrophobicContact CB-CD2 4.47Å; M973-L980 HydrophobicContact CG-CD2 3.51Å; M973-A1003 WeakPolarHBondContact CE-O 3.48Å; M973-L1004 HydrophobicContact CG-CD2 4.36Å; M973-L1004 HydrophobicContact SD-CD2 4.18Å
974	G	98.2	Very high	98.4	Very high	65 Å²	65	24.1 Å²	24.1	67%	0.67	15%	0.147	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.7	-18.9	171.3	0	0	0	0	0	113.8	Q971 L972	Q971-G974 PolarHBondContact O-N 2.96Å; L972-G974 PolarHBondContact O-N 2.82Å
975	L	98.7	Very high	98.4	Very high	7 Å²	7	24.3 Å²	24.3	4%	0.037	15%	0.148	C	C	.	.	S	Bend	trans	-90.2	164	179.5	-55.5	170	0	0	0	111	L847 M928 A931 P936 V939 L972 M973 G977 G978	L847-L975 HydrophobicContact CD2-CD1 3.71Å; M928-L975 HydrophobicContact CE-CD1 4.11Å; M928-L975 HydrophobicContact CE-CD2 4.16Å; M928-L975 HydrophobicContact CE-CG 4.04Å; M928-L975 HydrophobicContact SD-CD1 4.39Å; A931-L975 HydrophobicContact CB-CD1 3.66Å; A931-L975 HydrophobicContact CB-CD2 4.36Å; P936-L975 HydrophobicContact CG-CB 4.28Å; V939-L975 HydrophobicContact CG2-CB 3.87Å; V939-L975 HydrophobicContact CG2-CD1 4.38Å; L972-L975 HydrophobicContact CD2-CD1 3.93Å; L972-L975 WeakPolarHBondContact O-CB 3.41Å; L972-L975 PolarHBondContact O-N 3.43Å; M973-L975 VanDerWaalsContact C-N 3.3Å; L975-G977 PolarHBondContact O-N 2.9Å; L975-G978 PolarHBondContact O-N 3.29Å
976	A	98.1	Very high	98.3	Very high	12 Å²	12	24.6 Å²	24.6	10%	0.099	15%	0.151	C	C	.	.	G	3₁₀ helix	trans	51.9	22.4	173.9	0	0	0	0	0	115.9	P936 V939 G978 R979	P936-A976 VanDerWaalsContact O-CA 3.32Å; P936-A976 WeakPolarHBondContact O-CA 3.37Å; P936-A976 WeakPolarHBondContact O-CB 3.06Å; V939-A976 HydrophobicContact CG2-CB 3.91Å; A976-G978 PolarHBondContact O-N 2.92Å; A976-R979 HydrophobicContact CB-CB 4.25Å; A976-R979 WeakPolarHBondContact O-CB 3.34Å; A976-R979 PolarHBondContact O-N 3.14Å; A976-R979 PolarHBondContact O-NE 3.19Å; A976-R979 PolarHBondContact O-NH1 3.38Å; A976-R979 PolarHBondContact O-NH2 3.44Å
977	G	96.9	Very high	98.3	Very high	79 Å²	79	24.3 Å²	24.3	81%	0.814	15%	0.149	S	C	*	.	G	3₁₀ helix	trans	61.9	24.5	-172	0	0	0	0	0	114	L975	L975-G977 PolarHBondContact O-N 2.9Å
978	G	97.4	Very high	98.1	Very high	7 Å²	7	22.6 Å²	22.6	7%	0.072	14%	0.143	C	C	.	.	G	3₁₀ helix	trans	88.1	1.4	-177.1	0	0	0	0	0	115.6	M973 L975 A976 L980	M973-G978 WeakPolarHBondContact O-CA 3.43Å; L975-G978 PolarHBondContact O-N 3.29Å; A976-G978 PolarHBondContact O-N 2.92Å; G978-L980 VanDerWaalsContact C-N 3.27Å; G978-L980 PolarHBondContact O-N 2.94Å
979	R	98.7	Very high	98.1	Very high	94 Å²	94	25.3 Å²	25.3	36%	0.355	16%	0.158	S	C	.	.			trans	-70.8	81.3	176	-70.3	-175	-62.3	-85.6	-2.4	111.2	V797 D937 V939 A976	V797-R979 HydrophobicContact CG1-CB 3.99Å; V797-R979 HydrophobicContact CG1-CG 4.33Å; D937-R979 VanDerWaalsContact O-CZ 3.22Å; D937-R979 PolarHBondContact O-NE 3.25Å; D937-R979 PolarHBondContact O-NH2 2.82Å; V939-R979 PolarHBondContact N-O 2.83Å; A976-R979 HydrophobicContact CB-CB 4.25Å; A976-R979 WeakPolarHBondContact O-CB 3.34Å; A976-R979 PolarHBondContact O-N 3.14Å; A976-R979 PolarHBondContact O-NE 3.19Å; A976-R979 PolarHBondContact O-NH1 3.38Å; A976-R979 PolarHBondContact O-NH2 3.44Å
980	L	98.8	Very high	98	Very high	1 Å²	1	28.3 Å²	28.3	1%	0.005	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	132.4	-172.7	-180	65.9	0	0	0	110.6	N804 G805 V939 V941 T969 L972 M973 G978 L982 L1004	N804-L980 CarbonylContact C-O 3.44Å; N804-L980 WeakPolarHBondContact CA-O 3.39Å; N804-L980 HydrophobicContact CB-CB 4.35Å; N804-L980 WeakPolarHBondContact CB-O 3.36Å; G805-L980 PolarHBondContact N-O 3.27Å; V939-L980 HydrophobicContact CB-CD1 3.64Å; V939-L980 HydrophobicContact CG1-CD1 3.47Å; V939-L980 VanDerWaalsContact CG1-CD1 3.47Å; V939-L980 WeakPolarHBondContact O-CA 3.3Å; V941-L980 HydrophobicContact CG2-CD1 3.67Å; T969-L980 HydrophobicContact CG2-CD2 4.13Å; L972-L980 HydrophobicContact CB-CD1 4.02Å; L972-L980 HydrophobicContact CB-CD2 4.11Å; M973-L980 HydrophobicContact CB-CD2 4.47Å; M973-L980 HydrophobicContact CG-CD2 3.51Å; G978-L980 VanDerWaalsContact C-N 3.27Å; G978-L980 PolarHBondContact O-N 2.94Å; L980-L982 HydrophobicContact CD1-CD1 4.02Å; L980-L982 HydrophobicContact CD2-CD1 3.87Å; L980-L982 HydrophobicContact CG-CD1 3.68Å; L980-L1004 HydrophobicContact CD2-CD2 3.8Å; L980-L1004 HydrophobicContact CG-CD2 4.32Å
981	V	98.9	Very high	98	Very high	3 Å²	3	28.1 Å²	28.1	2%	0.018	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	124.7	169	176.4	0	0	0	0	111.1	L793 V794 V797 G805 V939 L940 V941	L793-V981 HydrophobicContact CD2-CG1 3.72Å; L793-V981 HydrophobicContact CG-CG1 4.09Å; L793-V981 HydrophobicContact CG-CG2 4.35Å; V794-V981 HydrophobicContact CG2-CB 3.99Å; V794-V981 HydrophobicContact CG2-CG1 3.81Å; V794-V981 HydrophobicContact CG2-CG2 4.18Å; V797-V981 HydrophobicContact CB-CG2 3.8Å; V797-V981 HydrophobicContact CG1-CG2 4.06Å; V797-V981 HydrophobicContact CG2-CG2 3.64Å; G805-V981 WeakPolarHBondContact O-CA 3.44Å; V939-V981 PolarHBondContact O-N 3.03Å; L940-V981 CarbonylContact C-O 3.19Å; L940-V981 WeakPolarHBondContact CA-O 3.45Å; L940-V981 HydrophobicContact CD2-CB 4.24Å; V941-V981 PolarHBondContact N-O 3.03Å
982	L	98.9	Very high	98	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	137.9	170.1	-78.6	57	0	0	0	109.2	G805 F806 A807 W851 V941 T969 L980 C1000 L1004	G805-L982 PolarHBondContact O-N 3.29Å; F806-L982 CarbonylContact C-O 3.59Å; F806-L982 WeakPolarHBondContact CA-O 3.46Å; F806-L982 HydrophobicContact CD2-CB 3.46Å; F806-L982 VanDerWaalsContact CD2-CB 3.46Å; F806-L982 HydrophobicContact CD2-CD2 3.74Å; F806-L982 HydrophobicContact CD2-CG 4.26Å; F806-L982 HydrophobicContact CE2-CB 3.78Å; F806-L982 HydrophobicContact CE2-CD2 3.89Å; F806-L982 HydrophobicContact CE2-CG 4.47Å; F806-L982 HydrophobicContact CG-CB 4.24Å; A807-L982 PolarHBondContact N-O 2.92Å; W851-L982 HydrophobicContact CH2-CD2 4.02Å; W851-L982 HydrophobicContact CH2-CG 4.39Å; W851-L982 HydrophobicContact CZ2-CD2 3.85Å; W851-L982 HydrophobicContact CZ2-CG 4.27Å; V941-L982 HydrophobicContact CB-CB 4.5Å; V941-L982 HydrophobicContact CB-CD1 4.05Å; V941-L982 HydrophobicContact CB-CG 3.92Å; V941-L982 HydrophobicContact CG1-CG 4.32Å; V941-L982 HydrophobicContact CG2-CD1 3.85Å; V941-L982 HydrophobicContact CG2-CG 4.26Å; T969-L982 HydrophobicContact CG2-CD2 4.41Å; L980-L982 HydrophobicContact CD1-CD1 4.02Å; L980-L982 HydrophobicContact CD2-CD1 3.87Å; L980-L982 HydrophobicContact CG-CD1 3.68Å; L982-C1000 HydrophobicContact CD2-CB 3.78Å; L982-L1004 HydrophobicContact CD1-CD2 4.36Å
983	A	98.9	Very high	97.9	Very high	3 Å²	3	25.8 Å²	25.8	3%	0.025	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	128.5	171.6	0	0	0	0	0	110.2	V790 A807 V830 V941 S943 E985	V790-A983 HydrophobicContact CG1-CB 4.26Å; V790-A983 HydrophobicContact CG2-CB 3.85Å; A807-A983 HydrophobicContact CB-CB 4.22Å; V830-A983 HydrophobicContact CG2-CB 3.9Å; V941-A983 PolarHBondContact O-N 3.21Å; S943-A983 WeakPolarHBondContact CA-O 3.5Å; S943-A983 VanDerWaalsContact CB-O 3.28Å; S943-A983 WeakPolarHBondContact CB-O 3.17Å; S943-A983 PolarHBondContact N-O 2.94Å; A983-E985 PolarHBondContact O-N 3.06Å
984	L	98.9	Very high	98	Very high	1 Å²	1	24.8 Å²	24.8	1%	0.005	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.1	124.9	-177.3	-176.6	70.3	0	0	0	111.6	I700 I703 F806 A807 F945	I700-L984 HydrophobicContact CG2-CD2 3.94Å; I703-L984 HydrophobicContact CD1-CD1 4.2Å; I703-L984 HydrophobicContact CD1-CD2 3.59Å; F806-L984 HydrophobicContact CE1-CB 4.28Å; F806-L984 HydrophobicContact CZ-CB 4.39Å; A807-L984 PolarHBondContact O-N 3.38Å; F945-L984 HydrophobicContact CD2-CD1 3.71Å; F945-L984 HydrophobicContact CE2-CD1 3.88Å
985	E	98.8	Very high	98	Very high	3 Å²	3	24.5 Å²	24.5	1%	0.014	15%	0.151	C	C	.	.			trans	-105.6	-109.4	173	-57	-74.4	-179	0	0	109.6	R699 P812 G813 H814 S942 S943 A983	R699-E985 PolarHBondContact NH1-O 2.77Å; R699-E985 PolarHBondContact NH2-O 3.27Å; P812-E985 HydrophobicContact CB-CB 4.34Å; P812-E985 WeakPolarHBondContact CB-OE2 3.48Å; G813-E985 PolarHBondContact N-OE2 3.01Å; H814-E985 HydrophobicContact CB-CG 4.46Å; H814-E985 IonicContact CD2-OE2 2.8Å; H814-E985 IonicContact CG-OE2 3.66Å; H814-E985 PolarHBondContact N-OE2 3Å; H814-E985 VanDerWaalsContact N-OE2 3.09Å; S942-E985 WeakPolarHBondContact CB-OE1 3.33Å; S942-E985 PolarHBondContact OG-OE1 3.25Å; S943-E985 PolarHBondContact O-N 3.06Å; A983-E985 PolarHBondContact O-N 3.06Å
986	G	96.3	Very high	98	Very high	6 Å²	6	24.1 Å²	24.1	6%	0.062	15%	0.149	C	C	.	.			trans	-80.3	-154.3	175.8	0	0	0	0	0	115	R699 D852	R699-G986 PolarHBondContact NH2-O 2.84Å; D852-G986 WeakPolarHBondContact OD2-CA 3.14Å; D852-G986 PolarHBondContact OD2-N 2.76Å
987	G	96.3	Very high	98	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	15%	0.145	C	C	.	.			trans	83.4	127.8	-166.1	0	0	0	0	0	112.1	R699 D946	R699-G987 VanDerWaalsContact CZ-O 3.27Å; R699-G987 PolarHBondContact NE-O 3.46Å; R699-G987 PolarHBondContact NH2-O 2.95Å; D946-G987 PolarHBondContact OD2-N 3.23Å
988	H	94.9	Very high	98.1	Very high	22 Å²	22	22.4 Å²	22.4	10%	0.102	12%	0.118	C	C	.	.			trans	-131	-29.9	-161.3	-58.5	103.4	0	0	0	114.4	P694 D946 H951 L990	P694-H988 HydrophobicContact CB-CB 4.24Å; P694-H988 PolarHBondContact O-CD2 3.49Å; D946-H988 IonicContact OD2-CE1 2.77Å; D946-H988 PolarHBondContact OD2-CE1 3.5Å; D946-H988 IonicContact OD2-ND1 2.72Å; H951-H988 PolarHBondContact NE2-N 3.05Å; H988-L990 PolarHBondContact O-N 3Å
989	D	97.4	Very high	98.1	Very high	58 Å²	58	23 Å²	23	31%	0.31	12%	0.123	S	C	.	.			trans	-71	126.3	168.8	178	-96.1	0	0	0	110.4	H951 T991 A992 I993	H951-D989 PolarHBondContact NE2-N 2.9Å; D989-T991 VanDerWaalsContact C-N 3.25Å; D989-T991 PolarHBondContact O-N 2.93Å; D989-T991 VanDerWaalsContact OD1-CA 3.31Å; D989-T991 WeakPolarHBondContact OD1-CA 3.21Å; D989-T991 WeakPolarHBondContact OD1-CB 3.42Å; D989-T991 PolarHBondContact OD1-N 3.34Å; D989-T991 PolarHBondContact OD1-OG1 3.48Å; D989-A992 HydrophobicContact CB-CB 3.99Å; D989-A992 PolarHBondContact O-N 3.08Å; D989-A992 PolarHBondContact OD1-N 2.96Å; D989-I993 WeakPolarHBondContact O-CG1 3.49Å; D989-I993 WeakPolarHBondContact O-CG2 3.38Å; D989-I993 PolarHBondContact O-N 3.42Å; D989-I993 VanDerWaalsContact O-N 3.1Å
990	L	97.6	Very high	98.1	Very high	63 Å²	63	18.6 Å²	18.6	33%	0.33	11%	0.106	S	C	.	.	H	α-helix	trans	-68.6	-22.2	-173.3	-62.2	-179	0	0	0	113.3	R699 H988 I993 C994	R699-L990 HydrophobicContact CG-CD2 4.25Å; H988-L990 PolarHBondContact O-N 3Å; L990-I993 HydrophobicContact CD2-CD1 4.07Å; L990-C994 WeakPolarHBondContact O-CB 3.4Å; L990-C994 PolarHBondContact O-SG 2.97Å
991	T	98.1	Very high	98.1	Very high	83 Å²	83	18.5 Å²	18.5	51%	0.509	11%	0.105	S	C	.	.	H	α-helix	trans	-78.7	-54.9	176	-37.4	0	0	0	0	109.1	D989 I993 C994 D995	D989-T991 VanDerWaalsContact C-N 3.25Å; D989-T991 PolarHBondContact O-N 2.93Å; D989-T991 VanDerWaalsContact OD1-CA 3.31Å; D989-T991 WeakPolarHBondContact OD1-CA 3.21Å; D989-T991 WeakPolarHBondContact OD1-CB 3.42Å; D989-T991 PolarHBondContact OD1-N 3.34Å; D989-T991 PolarHBondContact OD1-OG1 3.48Å; T991-I993 PolarHBondContact O-N 3.48Å; T991-C994 PolarHBondContact O-N 3.43Å; T991-C994 VanDerWaalsContact O-N 3.08Å; T991-D995 VanDerWaalsContact O-CG 3.29Å; T991-D995 PolarHBondContact O-N 3.35Å
992	A	98	Very high	98.1	Very high	7 Å²	7	19.7 Å²	19.7	6%	0.058	11%	0.113	C	C	.	.	H	α-helix	trans	-52	-48.7	-179.7	0	0	0	0	0	112.7	V948 D989 A996	V948-A992 HydrophobicContact CB-CB 4.03Å; V948-A992 HydrophobicContact CG1-CB 3.68Å; D989-A992 HydrophobicContact CB-CB 3.99Å; D989-A992 PolarHBondContact O-N 3.08Å; D989-A992 PolarHBondContact OD1-N 2.96Å; A992-A996 VanDerWaalsContact O-CB 3.26Å; A992-A996 WeakPolarHBondContact O-CB 3.4Å; A992-A996 PolarHBondContact O-N 2.98Å
993	I	98.4	Very high	98.1	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-71.7	-29.5	-179.5	71.5	-174	0	0	0	113.3	R699 I703 F945 D989 L990 T991 S997	R699-I993 HydrophobicContact CB-CD1 3.77Å; R699-I993 HydrophobicContact CG-CD1 3.94Å; I703-I993 HydrophobicContact CD1-CB 4.19Å; I703-I993 HydrophobicContact CD1-CD1 4.02Å; I703-I993 HydrophobicContact CD1-CG1 3.94Å; I703-I993 HydrophobicContact CG1-CD1 4.37Å; I703-I993 HydrophobicContact CG1-CG1 3.99Å; F945-I993 HydrophobicContact CB-CB 4.46Å; F945-I993 HydrophobicContact CB-CG2 3.9Å; F945-I993 HydrophobicContact CD2-CB 4.34Å; D989-I993 WeakPolarHBondContact O-CG1 3.49Å; D989-I993 WeakPolarHBondContact O-CG2 3.38Å; D989-I993 PolarHBondContact O-N 3.42Å; D989-I993 VanDerWaalsContact O-N 3.1Å; L990-I993 HydrophobicContact CD2-CD1 4.07Å; T991-I993 PolarHBondContact O-N 3.48Å; I993-S997 WeakPolarHBondContact O-CB 3.4Å; I993-S997 PolarHBondContact O-N 3.21Å; I993-S997 PolarHBondContact O-OG 3.46Å
994	C	98.8	Very high	98.1	Very high	7 Å²	7	19.5 Å²	19.5	5%	0.047	11%	0.112	C	C	.	.	H	α-helix	trans	-71.1	-48	175	-73.3	0	0	0	0	110.8	S702 I703 R706 L990 T991 A996 S997 E998	S702-C994 VanDerWaalsContact CB-SG 3.55Å; I703-C994 PolarHBondContact N-SG 3.48Å; R706-C994 HydrophobicContact CB-CB 4.21Å; R706-C994 HydrophobicContact CG-CB 4.31Å; L990-C994 WeakPolarHBondContact O-CB 3.4Å; L990-C994 PolarHBondContact O-SG 2.97Å; T991-C994 PolarHBondContact O-N 3.43Å; T991-C994 VanDerWaalsContact O-N 3.08Å; C994-A996 PolarHBondContact O-N 2.97Å; C994-S997 PolarHBondContact O-N 3.19Å; C994-E998 VanDerWaalsContact O-CB 3.27Å; C994-E998 WeakPolarHBondContact O-CB 3.36Å; C994-E998 PolarHBondContact O-N 3.02Å
995	D	98.6	Very high	98	Very high	58 Å²	58	20.8 Å²	20.8	31%	0.31	12%	0.119	S	C	.	.	H	α-helix	trans	-61.9	-43.8	179.5	-65.5	3.1	0	0	0	110.6	R706 A962 T991 E998 A999	R706-D995 IonicContact CZ-OD1 3.85Å; R706-D995 IonicContact NH1-OD1 3.5Å; R706-D995 PolarHBondContact NH1-OD1 3.27Å; R706-D995 IonicContact NH2-OD1 3.54Å; R706-D995 PolarHBondContact NH2-OD1 3.38Å; A962-D995 HydrophobicContact CB-CB 3.51Å; T991-D995 VanDerWaalsContact O-CG 3.29Å; T991-D995 PolarHBondContact O-N 3.35Å; D995-E998 PolarHBondContact O-N 3.46Å; D995-A999 VanDerWaalsContact O-CB 3.29Å; D995-A999 WeakPolarHBondContact O-CB 3.29Å; D995-A999 PolarHBondContact O-N 3.03Å
996	A	98.6	Very high	98	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-69.6	-40.5	178.7	0	0	0	0	0	112.6	F945 V948 A962 A992 C994 E998 A999 C1000	F945-A996 HydrophobicContact CB-CB 4.31Å; F945-A996 HydrophobicContact CD1-CB 3.49Å; F945-A996 VanDerWaalsContact CD1-CB 3.49Å; F945-A996 HydrophobicContact CD2-CB 4.1Å; F945-A996 HydrophobicContact CE1-CB 3.68Å; F945-A996 HydrophobicContact CE2-CB 4.25Å; F945-A996 HydrophobicContact CG-CB 3.72Å; F945-A996 HydrophobicContact CZ-CB 4.06Å; V948-A996 HydrophobicContact CG2-CB 4.24Å; A962-A996 HydrophobicContact CB-CB 4.1Å; A992-A996 VanDerWaalsContact O-CB 3.26Å; A992-A996 WeakPolarHBondContact O-CB 3.4Å; A992-A996 PolarHBondContact O-N 2.98Å; C994-A996 PolarHBondContact O-N 2.97Å; A996-E998 PolarHBondContact O-N 3.02Å; A996-A999 PolarHBondContact O-N 3.12Å; A996-C1000 WeakPolarHBondContact O-CB 3.32Å; A996-C1000 PolarHBondContact O-N 3Å; A996-C1000 PolarHBondContact O-SG 2.93Å
997	S	98.8	Very high	98	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-62.1	-42.7	174	-62.4	0	0	0	0	111.8	F945 I993 C994 I1001	F945-S997 WeakPolarHBondContact CE2-OG 3.47Å; I993-S997 WeakPolarHBondContact O-CB 3.4Å; I993-S997 PolarHBondContact O-N 3.21Å; I993-S997 PolarHBondContact O-OG 3.46Å; C994-S997 PolarHBondContact O-N 3.19Å; S997-I1001 WeakPolarHBondContact O-CB 3.48Å; S997-I1001 WeakPolarHBondContact O-CD1 3.49Å; S997-I1001 WeakPolarHBondContact O-CG1 3.4Å; S997-I1001 PolarHBondContact O-N 3.18Å
998	E	98.6	Very high	98	Very high	55 Å²	55	33.3 Å²	33.3	26%	0.257	19%	0.186	S	C	.	.	H	α-helix	trans	-61.7	-48	176.2	-177.5	178.7	164.4	0	0	111.4	R706 T710 L712 C994 D995 A996 I1001 S1002	R706-E998 WeakPolarHBondContact CD-OE2 3.36Å; R706-E998 HydrophobicContact CG-CB 4.44Å; R706-E998 VanDerWaalsContact CG-OE2 3.22Å; R706-E998 WeakPolarHBondContact CG-OE2 3.32Å; R706-E998 IonicContact CZ-OE2 3.98Å; R706-E998 IonicContact NE-OE2 3.94Å; R706-E998 IonicContact NH1-OE2 3.58Å; R706-E998 PolarHBondContact NH1-OE2 2.95Å; T710-E998 WeakPolarHBondContact CG2-OE1 3.48Å; L712-E998 HydrophobicContact CD1-CB 4.48Å; L712-E998 HydrophobicContact CD1-CG 3.71Å; C994-E998 VanDerWaalsContact O-CB 3.27Å; C994-E998 WeakPolarHBondContact O-CB 3.36Å; C994-E998 PolarHBondContact O-N 3.02Å; D995-E998 PolarHBondContact O-N 3.46Å; A996-E998 PolarHBondContact O-N 3.02Å; E998-I1001 PolarHBondContact O-N 2.84Å; E998-S1002 WeakPolarHBondContact O-CB 3.24Å; E998-S1002 PolarHBondContact O-N 3.35Å
999	A	98.4	Very high	97.9	Very high	20 Å²	20	33.7 Å²	33.7	17%	0.165	19%	0.189	C	C	.	.	H	α-helix	trans	-62.4	-43.3	178.8	0	0	0	0	0	112.1	A962 S966 D995 A996 A1003	A962-A999 VanDerWaalsContact O-CB 3.25Å; A962-A999 WeakPolarHBondContact O-CB 3.45Å; S966-A999 VanDerWaalsContact CB-O 3.26Å; S966-A999 WeakPolarHBondContact CB-O 3.24Å; D995-A999 VanDerWaalsContact O-CB 3.29Å; D995-A999 WeakPolarHBondContact O-CB 3.29Å; D995-A999 PolarHBondContact O-N 3.03Å; A996-A999 PolarHBondContact O-N 3.12Å; A999-A1003 PolarHBondContact O-N 3.14Å; A999-A1003 VanDerWaalsContact O-N 3.08Å
1000	C	98.8	Very high	97.5	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-61.8	-48.6	174.1	-69.1	0	0	0	0	112.1	F806 T969 L982 A996 S1002 A1003 L1004	F806-C1000 HydrophobicContact CD2-CB 4.4Å; F806-C1000 HydrophobicContact CE2-CB 4.35Å; T969-C1000 PolarHBondContact OG1-SG 3.48Å; L982-C1000 HydrophobicContact CD2-CB 3.78Å; A996-C1000 WeakPolarHBondContact O-CB 3.32Å; A996-C1000 PolarHBondContact O-N 3Å; A996-C1000 PolarHBondContact O-SG 2.93Å; C1000-S1002 PolarHBondContact O-N 3.4Å; C1000-A1003 WeakPolarHBondContact O-CB 3.16Å; C1000-A1003 PolarHBondContact O-N 3.38Å; C1000-A1003 VanDerWaalsContact O-N 3.14Å; C1000-L1004 WeakPolarHBondContact O-CG 3.46Å; C1000-L1004 PolarHBondContact O-N 2.99Å
1001	I	98.7	Very high	97.2	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-69.2	-34.9	-176.9	-71.5	163.2	0	0	0	111.5	L674 L707 L712 F806 S997 E998 A1003 L1004 L1005	L674-I1001 HydrophobicContact CD2-CD1 3.57Å; L674-I1001 HydrophobicContact CD2-CG1 3.95Å; L674-I1001 HydrophobicContact CD2-CG2 4.28Å; L707-I1001 HydrophobicContact CD1-CD1 3.45Å; L707-I1001 VanDerWaalsContact CD1-CD1 3.45Å; L707-I1001 HydrophobicContact CD2-CB 4.24Å; L707-I1001 HydrophobicContact CD2-CD1 3.57Å; L707-I1001 HydrophobicContact CD2-CG1 4.5Å; L707-I1001 HydrophobicContact CD2-CG2 4.26Å; L707-I1001 HydrophobicContact CG-CD1 4.15Å; L712-I1001 HydrophobicContact CB-CG2 4.25Å; L712-I1001 HydrophobicContact CD1-CG2 4.26Å; F806-I1001 HydrophobicContact CB-CD1 3.87Å; F806-I1001 HydrophobicContact CB-CG1 3.69Å; F806-I1001 HydrophobicContact CD1-CD1 4.03Å; F806-I1001 HydrophobicContact CD2-CD1 4.32Å; F806-I1001 HydrophobicContact CD2-CG1 4.07Å; F806-I1001 HydrophobicContact CG-CD1 3.81Å; F806-I1001 HydrophobicContact CG-CG1 3.87Å; S997-I1001 WeakPolarHBondContact O-CB 3.48Å; S997-I1001 WeakPolarHBondContact O-CD1 3.49Å; S997-I1001 WeakPolarHBondContact O-CG1 3.4Å; S997-I1001 PolarHBondContact O-N 3.18Å; E998-I1001 PolarHBondContact O-N 2.84Å; I1001-A1003 VanDerWaalsContact C-N 3.32Å; I1001-A1003 PolarHBondContact O-N 3.39Å; I1001-L1004 PolarHBondContact O-N 3.47Å; I1001-L1005 HydrophobicContact CG2-CD1 4.29Å; I1001-L1005 WeakPolarHBondContact O-CG 3.39Å; I1001-L1005 PolarHBondContact O-N 3.5Å; I1001-L1005 VanDerWaalsContact O-N 3.08Å
1002	S	98.3	Very high	96.8	Very high	27 Å²	27	34 Å²	34	19%	0.189	19%	0.192	C	C	.	.	H	α-helix	trans	-61	-41.1	170.4	-162.4	0	0	0	0	111.6	E998 C1000 G1006 N1007	E998-S1002 WeakPolarHBondContact O-CB 3.24Å; E998-S1002 PolarHBondContact O-N 3.35Å; C1000-S1002 PolarHBondContact O-N 3.4Å; S1002-G1006 PolarHBondContact O-N 2.95Å; S1002-N1007 WeakPolarHBondContact O-CB 3.46Å; S1002-N1007 PolarHBondContact O-N 2.99Å; S1002-N1007 WeakPolarHBondContact OG-CB 3.41Å; S1002-N1007 PolarHBondContact OG-ND2 3.31Å
1003	A	98.5	Very high	96.5	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-63.9	-44.7	173.8	0	0	0	0	0	112.9	S966 T969 R970 M973 A999 C1000 I1001 L1005 G1006 L1009	S966-A1003 WeakPolarHBondContact O-CB 3.34Å; T969-A1003 HydrophobicContact CG2-CB 3.9Å; R970-A1003 PolarHBondContact NH2-O 2.94Å; M973-A1003 WeakPolarHBondContact CE-O 3.48Å; A999-A1003 PolarHBondContact O-N 3.14Å; A999-A1003 VanDerWaalsContact O-N 3.08Å; C1000-A1003 WeakPolarHBondContact O-CB 3.16Å; C1000-A1003 PolarHBondContact O-N 3.38Å; C1000-A1003 VanDerWaalsContact O-N 3.14Å; I1001-A1003 VanDerWaalsContact C-N 3.32Å; I1001-A1003 PolarHBondContact O-N 3.39Å; A1003-L1005 PolarHBondContact O-N 3.32Å; A1003-G1006 WeakPolarHBondContact O-CA 3.47Å; A1003-G1006 PolarHBondContact O-N 3.17Å; A1003-L1009 HydrophobicContact CB-CD2 3.88Å
1004	L	98.7	Very high	96.1	Very high	0 Å²	0	43 Å²	43	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-59.9	-43.9	179.4	-69.4	174.9	0	0	0	112.5	T672 K803 N804 F806 T969 M973 L980 L982 C1000 I1001 G1006	T672-L1004 HydrophobicContact CG2-CB 3.73Å; T672-L1004 HydrophobicContact CG2-CD1 4.02Å; T672-L1004 VanDerWaalsContact OG1-C 3.22Å; T672-L1004 PolarHBondContact OG1-O 3.4Å; K803-L1004 PolarHBondContact NZ-O 3.05Å; N804-L1004 HydrophobicContact CB-CD2 4.1Å; N804-L1004 PolarHBondContact ND2-O 3.46Å; F806-L1004 HydrophobicContact CB-CD1 4.04Å; T969-L1004 HydrophobicContact CG2-CD2 3.7Å; T969-L1004 HydrophobicContact CG2-CG 3.94Å; M973-L1004 HydrophobicContact CG-CD2 4.36Å; M973-L1004 HydrophobicContact SD-CD2 4.18Å; L980-L1004 HydrophobicContact CD2-CD2 3.8Å; L980-L1004 HydrophobicContact CG-CD2 4.32Å; L982-L1004 HydrophobicContact CD1-CD2 4.36Å; C1000-L1004 WeakPolarHBondContact O-CG 3.46Å; C1000-L1004 PolarHBondContact O-N 2.99Å; I1001-L1004 PolarHBondContact O-N 3.47Å; L1004-G1006 PolarHBondContact O-N 3.07Å
1005	L	98.4	Very high	95.9	Very high	27 Å²	27	49.1 Å²	49.1	14%	0.141	26%	0.261	C	S	.	.	H	α-helix	trans	-59.2	-30	173.8	-76	165.7	0	0	0	111.6	T672 L712 Q715 I1001 A1003	T672-L1005 WeakPolarHBondContact OG1-CA 3.3Å; T672-L1005 PolarHBondContact OG1-N 3.11Å; L712-L1005 HydrophobicContact CD2-CD1 3.9Å; Q715-L1005 HydrophobicContact CB-CD1 3.99Å; Q715-L1005 HydrophobicContact CB-CD2 3.88Å; I1001-L1005 HydrophobicContact CG2-CD1 4.29Å; I1001-L1005 WeakPolarHBondContact O-CG 3.39Å; I1001-L1005 PolarHBondContact O-N 3.5Å; I1001-L1005 VanDerWaalsContact O-N 3.08Å; A1003-L1005 PolarHBondContact O-N 3.32Å
1006	G	97.2	Very high	95.6	Very high	32 Å²	32	47.4 Å²	47.4	33%	0.33	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	100.8	10.1	177.6	0	0	0	0	0	113.8	S1002 A1003 L1004	S1002-G1006 PolarHBondContact O-N 2.95Å; A1003-G1006 WeakPolarHBondContact O-CA 3.47Å; A1003-G1006 PolarHBondContact O-N 3.17Å; L1004-G1006 PolarHBondContact O-N 3.07Å
1007	N	97.3	Very high	95.4	Very high	53 Å²	53	49.5 Å²	49.5	28%	0.283	26%	0.264	S	S	.	.	P	Polyproline II helix	trans	-54.2	160.6	178.2	-62	-21.8	0	0	0	111.8	R970 S1002	R970-N1007 PolarHBondContact NH2-O 3.49Å; S1002-N1007 WeakPolarHBondContact O-CB 3.46Å; S1002-N1007 PolarHBondContact O-N 2.99Å; S1002-N1007 WeakPolarHBondContact OG-CB 3.41Å; S1002-N1007 PolarHBondContact OG-ND2 3.31Å
1008	E	95.2	Very high	95.3	Very high	188 Å²	188	53.2 Å²	53.2	88%	0.879	28%	0.281	S	S	*	.	P	Polyproline II helix	trans	-61.4	141.1	167.2	-168	164.2	-164	0	0	109.7
1009	L	92.9	Very high	95.2	Very high	30 Å²	30	54.7 Å²	54.7	16%	0.157	29%	0.288	C	S	.	.	P	Polyproline II helix	trans	-95.3	136.9	-178.6	-59.5	-173.4	0	0	0	109.9	Y967 R970 A1003	Y967-L1009 HydrophobicContact CD1-CD1 4.11Å; Y967-L1009 HydrophobicContact CD2-CD1 4.2Å; Y967-L1009 HydrophobicContact CE1-CD1 4.09Å; Y967-L1009 HydrophobicContact CE2-CB 4.15Å; Y967-L1009 HydrophobicContact CE2-CD1 4.17Å; Y967-L1009 HydrophobicContact CG-CD1 4.17Å; R970-L1009 HydrophobicContact CB-CD1 4.02Å; R970-L1009 HydrophobicContact CG-CD1 4.29Å; A1003-L1009 HydrophobicContact CB-CD2 3.88Å
1010	D	89.9	Confident	95.2	Very high	99 Å²	99	58.7 Å²	58.7	53%	0.529	30%	0.302	S	S	.	.	P	Polyproline II helix	trans	-54.7	124.2	167.6	-102.8	36.4	0	0	0	109.8	K963 Y967 I1012	K963-D1010 HydrophobicContact CD-CB 3.92Å; K963-D1010 VanDerWaalsContact CE-OD2 3.27Å; K963-D1010 WeakPolarHBondContact CE-OD2 3.48Å; K963-D1010 IonicContact NZ-OD2 3.59Å; K963-D1010 PolarHBondContact NZ-OD2 3.08Å; Y967-D1010 WeakPolarHBondContact CE2-O 3.43Å; Y967-D1010 PolarHBondContact OH-O 3.37Å; D1010-I1012 PolarHBondContact O-N 2.9Å
1011	P	91.1	Very high	95.1	Very high	96 Å²	96	59.1 Å²	59.1	62%	0.623	30%	0.304	S	S	*	.	P	Polyproline II helix	trans	-60.5	139.7	-174.9	22.6	-33	0	0	0	112.4	Y967	Y967-P1011 WeakPolarHBondContact OH-CA 3.44Å
1012	I	89.4	Confident	95.1	Very high	14 Å²	14	60 Å²	60	7%	0.072	31%	0.309	C	S	.	.	P	Polyproline II helix	trans	-57.5	134.9	166.4	-57.3	179.9	0	0	0	108.4	L920 Y967 D1010 V1016 L1017 L1054	L920-I1012 HydrophobicContact CD1-CD1 3.81Å; L920-I1012 HydrophobicContact CD2-CD1 4.48Å; Y967-I1012 HydrophobicContact CD1-CD1 3.99Å; Y967-I1012 HydrophobicContact CD1-CG1 4.4Å; Y967-I1012 HydrophobicContact CD2-CD1 3.89Å; Y967-I1012 HydrophobicContact CD2-CG1 3.7Å; Y967-I1012 HydrophobicContact CE1-CD1 4.1Å; Y967-I1012 HydrophobicContact CE1-CG1 4.14Å; Y967-I1012 HydrophobicContact CE2-CD1 4.02Å; Y967-I1012 HydrophobicContact CE2-CG1 3.4Å; Y967-I1012 VanDerWaalsContact CE2-CG1 3.4Å; Y967-I1012 HydrophobicContact CG-CD1 3.88Å; Y967-I1012 HydrophobicContact CG-CG1 4.2Å; D1010-I1012 PolarHBondContact O-N 2.9Å; I1012-V1016 HydrophobicContact CG2-CB 3.71Å; I1012-V1016 HydrophobicContact CG2-CG1 3.55Å; I1012-L1017 HydrophobicContact CB-CD2 3.88Å; I1012-L1017 HydrophobicContact CB-CG 4.16Å; I1012-L1017 HydrophobicContact CD1-CD2 4.18Å; I1012-L1017 HydrophobicContact CG2-CD2 3.87Å; I1012-L1017 HydrophobicContact CG2-CG 4.03Å; I1012-L1054 HydrophobicContact CD1-CD2 4.32Å
1013	P	91.7	Very high	95.1	Very high	54 Å²	54	62 Å²	62	35%	0.351	33%	0.327	S	S	.	.	P	Polyproline II helix	trans	-53.9	140.4	174.5	-25.6	34.8	0	0	0	112.1	E1015 V1016 L1017	P1013-E1015 WeakPolarHBondContact CB-OE2 3.43Å; P1013-E1015 PolarHBondContact O-N 2.96Å; P1013-V1016 HydrophobicContact CB-CG2 4.33Å; P1013-V1016 WeakPolarHBondContact O-CB 3.36Å; P1013-V1016 PolarHBondContact O-N 3.4Å; P1013-L1017 PolarHBondContact O-N 3.42Å; P1013-L1017 VanDerWaalsContact O-N 3.08Å
1014	Y	90.9	Very high	95.1	Very high	143 Å²	143	62.8 Å²	62.8	56%	0.561	33%	0.331	S	S	*	.	H	α-helix	trans	-61.1	-30.6	-176.2	-176.8	-101.4	0	0	0	112.3	V1016 L1017 Q1018	Y1014-V1016 VanDerWaalsContact C-N 3.33Å; Y1014-V1016 PolarHBondContact O-N 2.88Å; Y1014-L1017 PolarHBondContact O-N 2.89Å; Y1014-Q1018 HydrophobicContact CD1-CG 4.19Å; Y1014-Q1018 HydrophobicContact CE1-CG 3.73Å; Y1014-Q1018 HydrophobicContact CE2-CG 4.39Å; Y1014-Q1018 WeakPolarHBondContact O-CG 3.49Å; Y1014-Q1018 PolarHBondContact O-N 3.17Å; Y1014-Q1018 PolarHBondContact OH-NE2 3.13Å
1015	E	93.8	Very high	95.1	Very high	135 Å²	135	62.8 Å²	62.8	63%	0.631	33%	0.331	S	S	*	.	H	α-helix	trans	-59.7	-42.9	174.3	-59.2	70	-153.7	0	0	111.2	P1013 Q1018 Q1019	P1013-E1015 WeakPolarHBondContact CB-OE2 3.43Å; P1013-E1015 PolarHBondContact O-N 2.96Å; E1015-Q1018 PolarHBondContact O-N 2.91Å; E1015-Q1019 WeakPolarHBondContact O-CB 3.04Å; E1015-Q1019 PolarHBondContact O-N 3.33Å
1016	V	93.4	Very high	95.1	Very high	23 Å²	23	62.4 Å²	62.4	14%	0.139	33%	0.33	C	S	.	.	H	α-helix	trans	-74.4	-35.2	177.7	173	0	0	0	0	111.3	D916 I1012 P1013 Y1014 Q1018 Q1019	D916-V1016 HydrophobicContact CB-CG1 3.5Å; I1012-V1016 HydrophobicContact CG2-CB 3.71Å; I1012-V1016 HydrophobicContact CG2-CG1 3.55Å; P1013-V1016 HydrophobicContact CB-CG2 4.33Å; P1013-V1016 WeakPolarHBondContact O-CB 3.36Å; P1013-V1016 PolarHBondContact O-N 3.4Å; Y1014-V1016 VanDerWaalsContact C-N 3.33Å; Y1014-V1016 PolarHBondContact O-N 2.88Å; V1016-Q1018 VanDerWaalsContact C-N 3.26Å; V1016-Q1018 PolarHBondContact O-N 3.05Å; V1016-Q1019 PolarHBondContact O-N 3.29Å
1017	L	93.4	Very high	95.1	Very high	44 Å²	44	68.1 Å²	68.1	23%	0.23	34%	0.342	C	S	.	.	H	α-helix	trans	-63	-33.6	173.3	-65.6	178.6	0	0	0	112.3	I1012 P1013 Y1014 S1053 L1054 N1055	I1012-L1017 HydrophobicContact CB-CD2 3.88Å; I1012-L1017 HydrophobicContact CB-CG 4.16Å; I1012-L1017 HydrophobicContact CD1-CD2 4.18Å; I1012-L1017 HydrophobicContact CG2-CD2 3.87Å; I1012-L1017 HydrophobicContact CG2-CG 4.03Å; P1013-L1017 PolarHBondContact O-N 3.42Å; P1013-L1017 VanDerWaalsContact O-N 3.08Å; Y1014-L1017 PolarHBondContact O-N 2.89Å; L1017-S1053 WeakPolarHBondContact O-CB 3.37Å; L1017-S1053 PolarHBondContact O-OG 3.48Å; L1017-L1054 HydrophobicContact CD2-CB 4.43Å; L1017-L1054 HydrophobicContact CD2-CD2 3.84Å; L1017-L1054 HydrophobicContact CD2-CG 4.33Å; L1017-L1054 PolarHBondContact O-N 3Å; L1017-N1055 WeakPolarHBondContact O-CB 3.49Å; L1017-N1055 PolarHBondContact O-N 3.3Å
1018	Q	95.8	Very high	95.2	Very high	77 Å²	77	66 Å²	66	36%	0.36	33%	0.33	S	S	.	.	H	α-helix	trans	-87.2	-18.7	176	-69.6	-71.6	22	0	0	114	Y1014 E1015 V1016 K1020 S1053 N1055	Y1014-Q1018 HydrophobicContact CD1-CG 4.19Å; Y1014-Q1018 HydrophobicContact CE1-CG 3.73Å; Y1014-Q1018 HydrophobicContact CE2-CG 4.39Å; Y1014-Q1018 WeakPolarHBondContact O-CG 3.49Å; Y1014-Q1018 PolarHBondContact O-N 3.17Å; Y1014-Q1018 PolarHBondContact OH-NE2 3.13Å; E1015-Q1018 PolarHBondContact O-N 2.91Å; V1016-Q1018 VanDerWaalsContact C-N 3.26Å; V1016-Q1018 PolarHBondContact O-N 3.05Å; Q1018-K1020 PolarHBondContact O-N 2.89Å; Q1018-S1053 VanDerWaalsContact O-CB 3.25Å; Q1018-S1053 WeakPolarHBondContact O-CB 3.39Å; Q1018-N1055 PolarHBondContact NE2-ND2 3.48Å
1019	Q	97.1	Very high	95.3	Very high	86 Å²	86	57 Å²	57	40%	0.402	29%	0.289	S	S	.	.	P	Polyproline II helix	trans	-64.3	124.4	177.9	-179.4	175.9	-21.7	0	0	110.5	A917 E1015 V1016 S1053	A917-Q1019 HydrophobicContact CB-CB 3.94Å; A917-Q1019 HydrophobicContact CB-CG 3.63Å; E1015-Q1019 WeakPolarHBondContact O-CB 3.04Å; E1015-Q1019 PolarHBondContact O-N 3.33Å; V1016-Q1019 PolarHBondContact O-N 3.29Å; Q1019-S1053 WeakPolarHBondContact O-CA 3.39Å; Q1019-S1053 VanDerWaalsContact O-CB 3.26Å; Q1019-S1053 WeakPolarHBondContact O-CB 3.48Å
1020	K	97.8	Very high	95.5	Very high	105 Å²	105	60.1 Å²	60.1	46%	0.457	30%	0.302	S	S	.	.	P	Polyproline II helix	trans	-76.9	142.8	166.7	-65.9	172.5	179.9	-73.3	0	109	Q1018 E1056	Q1018-K1020 PolarHBondContact O-N 2.89Å; K1020-E1056 WeakPolarHBondContact CE-OE1 3.31Å; K1020-E1056 IonicContact NZ-OE1 2.65Å; K1020-E1056 PolarHBondContact NZ-OE1 3.32Å; K1020-E1056 IonicContact NZ-OE2 2.75Å; K1020-E1056 PolarHBondContact NZ-OE2 3.09Å
1021	P	98.1	Very high	95.9	Very high	8 Å²	8	59.9 Å²	59.9	5%	0.052	30%	0.297	C	S	.	.	P	Polyproline II helix	trans	-60.5	139.8	172	27.9	-35.4	0	0	0	110.2	E918 A921 A1025 V1026 M1029 L1050 W1052	E918-P1021 HydrophobicContact CG-CB 4.1Å; A921-P1021 HydrophobicContact CB-CB 3.91Å; A921-P1021 HydrophobicContact CB-CG 3.73Å; P1021-A1025 HydrophobicContact CB-CB 4.41Å; P1021-V1026 HydrophobicContact CB-CG2 4.34Å; P1021-V1026 HydrophobicContact CG-CG2 3.96Å; P1021-M1029 HydrophobicContact CB-CE 4.23Å; P1021-M1029 HydrophobicContact CG-CE 4.17Å; P1021-L1050 WeakPolarHBondContact CG-O 3.27Å; P1021-W1052 WeakPolarHBondContact CD-O 3.43Å
1022	N	98.2	Very high	96.3	Very high	20 Å²	20	55.3 Å²	55.3	11%	0.107	27%	0.267	C	S	.	.	P	Polyproline II helix	trans	-66.2	162.8	-176.7	74.3	68.5	0	0	0	113.4	P912 M914 E918 N1024 A1025 V1026	P912-N1022 HydrophobicContact CG-CB 3.74Å; M914-N1022 PolarHBondContact SD-ND2 3.01Å; E918-N1022 VanDerWaalsContact CD-ND2 3.29Å; E918-N1022 VanDerWaalsContact CG-ND2 3.32Å; E918-N1022 WeakPolarHBondContact CG-ND2 3.35Å; E918-N1022 PolarHBondContact OE1-N 3.16Å; E918-N1022 PolarHBondContact OE1-ND2 3.08Å; N1022-N1024 PolarHBondContact O-N 2.92Å; N1022-N1024 VanDerWaalsContact O-N 3.13Å; N1022-N1024 WeakPolarHBondContact OD1-CA 3.46Å; N1022-N1024 VanDerWaalsContact OD1-CB 3.28Å; N1022-N1024 WeakPolarHBondContact OD1-CB 3.25Å; N1022-N1024 PolarHBondContact OD1-N 3.1Å; N1022-A1025 PolarHBondContact O-N 3.05Å; N1022-A1025 VanDerWaalsContact O-N 3.14Å; N1022-A1025 PolarHBondContact OD1-N 3.34Å; N1022-A1025 VanDerWaalsContact OD1-N 3.1Å; N1022-V1026 WeakPolarHBondContact O-CG2 3.4Å; N1022-V1026 PolarHBondContact O-N 2.96Å
1023	A	98.1	Very high	96.7	Very high	67 Å²	67	55.2 Å²	55.2	55%	0.554	27%	0.266	S	S	*	.	H	α-helix	trans	-64.4	-18.2	-174.3	0	0	0	0	0	115	R1027	A1023-R1027 WeakPolarHBondContact O-CB 3.44Å; A1023-R1027 VanDerWaalsContact O-CG 3.27Å; A1023-R1027 WeakPolarHBondContact O-CG 3.5Å; A1023-R1027 PolarHBondContact O-N 3.41Å; A1023-R1027 PolarHBondContact O-NE 3.2Å; A1023-R1027 VanDerWaalsContact O-NE 3.09Å
1024	N	98.4	Very high	96.9	Very high	17 Å²	17	57.8 Å²	57.8	9%	0.091	27%	0.274	C	S	.	.	H	α-helix	trans	-80.1	-44.2	174.4	-62.7	-17.2	0	0	0	110.1	T907 G908 E911 M914 N1022 R1027 S1028	T907-N1024 WeakPolarHBondContact O-CB 3.49Å; G908-N1024 PolarHBondContact O-ND2 3.29Å; E911-N1024 PolarHBondContact O-ND2 3.18Å; M914-N1024 HydrophobicContact CE-CB 3.84Å; N1022-N1024 PolarHBondContact O-N 2.92Å; N1022-N1024 VanDerWaalsContact O-N 3.13Å; N1022-N1024 WeakPolarHBondContact OD1-CA 3.46Å; N1022-N1024 VanDerWaalsContact OD1-CB 3.28Å; N1022-N1024 WeakPolarHBondContact OD1-CB 3.25Å; N1022-N1024 PolarHBondContact OD1-N 3.1Å; N1024-R1027 PolarHBondContact O-N 2.9Å; N1024-R1027 PolarHBondContact OD1-NH2 3.06Å; N1024-S1028 WeakPolarHBondContact O-CB 3.46Å; N1024-S1028 PolarHBondContact O-N 3.45Å; N1024-S1028 PolarHBondContact O-OG 2.91Å
1025	A	98.5	Very high	97.2	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	25%	0.25	C	C	.	.	H	α-helix	trans	-61.3	-44.4	171.4	0	0	0	0	0	112.4	F906 M914 E918 P1021 N1022 S1028 M1029	F906-A1025 HydrophobicContact CD1-CB 4.23Å; F906-A1025 HydrophobicContact CE1-CB 3.94Å; M914-A1025 HydrophobicContact CE-CB 4.29Å; M914-A1025 HydrophobicContact SD-CB 3.83Å; E918-A1025 HydrophobicContact CB-CB 3.82Å; E918-A1025 HydrophobicContact CG-CB 3.34Å; P1021-A1025 HydrophobicContact CB-CB 4.41Å; N1022-A1025 PolarHBondContact O-N 3.05Å; N1022-A1025 VanDerWaalsContact O-N 3.14Å; N1022-A1025 PolarHBondContact OD1-N 3.34Å; N1022-A1025 VanDerWaalsContact OD1-N 3.1Å; A1025-S1028 WeakPolarHBondContact O-CB 3.37Å; A1025-S1028 PolarHBondContact O-N 3.47Å; A1025-M1029 WeakPolarHBondContact O-CG 3.46Å; A1025-M1029 PolarHBondContact O-N 3.2Å
1026	V	98.3	Very high	97.4	Very high	20 Å²	20	45 Å²	45	12%	0.121	22%	0.22	C	C	.	.	H	α-helix	trans	-58.7	-50.8	177.2	174.1	0	0	0	0	110.8	P1021 N1022 S1028 M1029 E1030 L1050	P1021-V1026 HydrophobicContact CB-CG2 4.34Å; P1021-V1026 HydrophobicContact CG-CG2 3.96Å; N1022-V1026 WeakPolarHBondContact O-CG2 3.4Å; N1022-V1026 PolarHBondContact O-N 2.96Å; V1026-S1028 VanDerWaalsContact C-N 3.29Å; V1026-S1028 PolarHBondContact O-N 3.44Å; V1026-M1029 HydrophobicContact CG2-CE 4.21Å; V1026-M1029 PolarHBondContact O-N 3.14Å; V1026-E1030 HydrophobicContact CG1-CG 4.27Å; V1026-E1030 WeakPolarHBondContact O-CB 3.49Å; V1026-E1030 VanDerWaalsContact O-CG 3.29Å; V1026-E1030 WeakPolarHBondContact O-CG 3.37Å; V1026-E1030 PolarHBondContact O-N 2.96Å; V1026-L1050 HydrophobicContact CG1-CB 4.2Å
1027	R	98.2	Very high	97.5	Very high	152 Å²	152	45.7 Å²	45.7	57%	0.574	23%	0.226	S	C	*	.	H	α-helix	trans	-61.5	-35.1	176.6	-72.7	-177	-65.6	170.4	2.5	113.3	A1023 N1024 K1031	A1023-R1027 WeakPolarHBondContact O-CB 3.44Å; A1023-R1027 VanDerWaalsContact O-CG 3.27Å; A1023-R1027 WeakPolarHBondContact O-CG 3.5Å; A1023-R1027 PolarHBondContact O-N 3.41Å; A1023-R1027 PolarHBondContact O-NE 3.2Å; A1023-R1027 VanDerWaalsContact O-NE 3.09Å; N1024-R1027 PolarHBondContact O-N 2.9Å; N1024-R1027 PolarHBondContact OD1-NH2 3.06Å; R1027-K1031 WeakPolarHBondContact O-CB 3.48Å; R1027-K1031 PolarHBondContact O-N 3.44Å
1028	S	98.6	Very high	97.7	Very high	7 Å²	7	50.2 Å²	50.2	5%	0.049	24%	0.243	C	C	.	.	H	α-helix	trans	-63.8	-48.7	174.2	-55.5	0	0	0	0	110.8	T907 N1024 A1025 V1026 K1031 V1032	T907-S1028 PolarHBondContact N-OG 2.97Å; T907-S1028 PolarHBondContact O-OG 3.32Å; N1024-S1028 WeakPolarHBondContact O-CB 3.46Å; N1024-S1028 PolarHBondContact O-N 3.45Å; N1024-S1028 PolarHBondContact O-OG 2.91Å; A1025-S1028 WeakPolarHBondContact O-CB 3.37Å; A1025-S1028 PolarHBondContact O-N 3.47Å; V1026-S1028 VanDerWaalsContact C-N 3.29Å; V1026-S1028 PolarHBondContact O-N 3.44Å; S1028-K1031 PolarHBondContact O-N 3.24Å; S1028-V1032 VanDerWaalsContact O-CG2 3.31Å; S1028-V1032 WeakPolarHBondContact O-CG2 3.31Å; S1028-V1032 PolarHBondContact O-N 2.94Å
1029	M	98.4	Very high	97.7	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-66.3	-38.7	178	-64.4	-179.5	-67.7	0	0	112.3	M904 A921 A922 P1021 A1025 V1026 V1032 I1033 L1050	M904-M1029 HydrophobicContact CE-CG 3.9Å; M904-M1029 HydrophobicContact SD-CG 3.82Å; A921-M1029 HydrophobicContact CB-CE 3.95Å; A921-M1029 HydrophobicContact CB-SD 3.97Å; A922-M1029 VanDerWaalsContact CA-SD 3.56Å; A922-M1029 HydrophobicContact CB-CG 4.4Å; A922-M1029 HydrophobicContact CB-SD 4.02Å; A922-M1029 PolarHBondContact N-SD 3.41Å; A922-M1029 VanDerWaalsContact N-SD 3.45Å; P1021-M1029 HydrophobicContact CB-CE 4.23Å; P1021-M1029 HydrophobicContact CG-CE 4.17Å; A1025-M1029 WeakPolarHBondContact O-CG 3.46Å; A1025-M1029 PolarHBondContact O-N 3.2Å; V1026-M1029 HydrophobicContact CG2-CE 4.21Å; V1026-M1029 PolarHBondContact O-N 3.14Å; M1029-V1032 PolarHBondContact O-N 3.21Å; M1029-I1033 WeakPolarHBondContact O-CB 3.29Å; M1029-I1033 WeakPolarHBondContact O-CG1 3.34Å; M1029-I1033 PolarHBondContact O-N 2.99Å; M1029-L1050 HydrophobicContact CB-CD2 3.96Å; M1029-L1050 HydrophobicContact CE-CB 4.49Å
1030	E	97.4	Very high	97.8	Very high	96 Å²	96	47.5 Å²	47.5	45%	0.449	23%	0.227	S	C	.	.	H	α-helix	trans	-56.6	-48	172.3	-75.4	172.9	162.8	0	0	111	V1026 I1033 E1034 L1050	V1026-E1030 HydrophobicContact CG1-CG 4.27Å; V1026-E1030 WeakPolarHBondContact O-CB 3.49Å; V1026-E1030 VanDerWaalsContact O-CG 3.29Å; V1026-E1030 WeakPolarHBondContact O-CG 3.37Å; V1026-E1030 PolarHBondContact O-N 2.96Å; E1030-I1033 PolarHBondContact O-N 2.85Å; E1030-E1034 WeakPolarHBondContact O-CB 3.3Å; E1030-E1034 PolarHBondContact O-N 3.27Å; E1030-L1050 HydrophobicContact CB-CD1 4.29Å; E1030-L1050 HydrophobicContact CG-CD1 3.43Å; E1030-L1050 VanDerWaalsContact CG-CD1 3.43Å
1031	K	98.1	Very high	97.6	Very high	94 Å²	94	51.9 Å²	51.9	41%	0.409	24%	0.241	S	C	.	.	H	α-helix	trans	-63.7	-42.5	179.6	-173.2	69.7	-154.8	166.4	0	112.4	P889 R1027 S1028 E1034 V1035	P889-K1031 HydrophobicContact CB-CG 4.19Å; P889-K1031 HydrophobicContact CG-CG 4.22Å; R1027-K1031 WeakPolarHBondContact O-CB 3.48Å; R1027-K1031 PolarHBondContact O-N 3.44Å; S1028-K1031 PolarHBondContact O-N 3.24Å; K1031-E1034 WeakPolarHBondContact CD-OE2 3.45Å; K1031-E1034 WeakPolarHBondContact CE-OE2 3.4Å; K1031-E1034 IonicContact NZ-OE1 2.72Å; K1031-E1034 IonicContact NZ-OE2 3.56Å; K1031-E1034 PolarHBondContact NZ-OE2 3.41Å; K1031-E1034 PolarHBondContact O-N 3.07Å; K1031-V1035 WeakPolarHBondContact O-CG2 3.48Å; K1031-V1035 PolarHBondContact O-N 3.5Å; K1031-V1035 VanDerWaalsContact O-N 3.14Å
1032	V	98.3	Very high	97.5	Very high	0 Å²	0	53 Å²	53	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-65.4	-40.6	177.7	175.7	0	0	0	0	110.7	P889 V902 N903 M904 V926 S1028 M1029 V1035 Q1036	P889-V1032 HydrophobicContact CB-CG2 4.18Å; P889-V1032 HydrophobicContact CG-CG2 4.5Å; V902-V1032 HydrophobicContact CG1-CG1 4.3Å; N903-V1032 VanDerWaalsContact O-CG2 3.25Å; N903-V1032 WeakPolarHBondContact O-CG2 3.26Å; M904-V1032 HydrophobicContact CE-CG2 4.12Å; M904-V1032 HydrophobicContact SD-CG2 4.3Å; V926-V1032 HydrophobicContact CG1-CG1 3.87Å; V926-V1032 HydrophobicContact CG2-CG1 4.47Å; S1028-V1032 VanDerWaalsContact O-CG2 3.31Å; S1028-V1032 WeakPolarHBondContact O-CG2 3.31Å; S1028-V1032 PolarHBondContact O-N 2.94Å; M1029-V1032 PolarHBondContact O-N 3.21Å; V1032-V1035 PolarHBondContact O-N 3.14Å; V1032-Q1036 HydrophobicContact CG1-CG 4.1Å; V1032-Q1036 WeakPolarHBondContact O-CB 3.31Å; V1032-Q1036 VanDerWaalsContact O-CG 3.27Å; V1032-Q1036 WeakPolarHBondContact O-CG 3.36Å; V1032-Q1036 PolarHBondContact O-N 2.87Å
1033	I	97.5	Very high	97.2	Very high	11 Å²	11	52.1 Å²	52.1	6%	0.056	24%	0.244	C	C	.	.	H	α-helix	trans	-67.6	-40.1	175.8	-73.4	169.3	0	0	0	112.1	V926 M1029 E1030 V1035 Q1036 S1037 L1043 A1047 L1050	V926-I1033 HydrophobicContact CG2-CD1 4.16Å; V926-I1033 HydrophobicContact CG2-CG1 4.06Å; M1029-I1033 WeakPolarHBondContact O-CB 3.29Å; M1029-I1033 WeakPolarHBondContact O-CG1 3.34Å; M1029-I1033 PolarHBondContact O-N 2.99Å; E1030-I1033 PolarHBondContact O-N 2.85Å; I1033-V1035 VanDerWaalsContact C-N 3.27Å; I1033-V1035 PolarHBondContact O-N 3.47Å; I1033-Q1036 PolarHBondContact O-N 3.48Å; I1033-S1037 WeakPolarHBondContact O-CB 3.28Å; I1033-S1037 PolarHBondContact O-N 3.43Å; I1033-S1037 PolarHBondContact O-OG 3.12Å; I1033-L1043 HydrophobicContact CG1-CD2 4.25Å; I1033-L1043 HydrophobicContact CG2-CB 4.37Å; I1033-A1047 HydrophobicContact CG2-CB 4.37Å; I1033-L1050 HydrophobicContact CD1-CD1 4.06Å; I1033-L1050 HydrophobicContact CD1-CD2 3.44Å; I1033-L1050 VanDerWaalsContact CD1-CD2 3.44Å; I1033-L1050 HydrophobicContact CD1-CG 4.3Å
1034	E	96.2	Very high	96.4	Very high	109 Å²	109	55.6 Å²	55.6	51%	0.509	25%	0.249	S	C	.	.	H	α-helix	trans	-56.5	-41.9	173.9	-170.4	-149.8	155.6	0	0	111.6	E1030 K1031	E1030-E1034 WeakPolarHBondContact O-CB 3.3Å; E1030-E1034 PolarHBondContact O-N 3.27Å; K1031-E1034 WeakPolarHBondContact CD-OE2 3.45Å; K1031-E1034 WeakPolarHBondContact CE-OE2 3.4Å; K1031-E1034 IonicContact NZ-OE1 2.72Å; K1031-E1034 IonicContact NZ-OE2 3.56Å; K1031-E1034 PolarHBondContact NZ-OE2 3.41Å; K1031-E1034 PolarHBondContact O-N 3.07Å
1035	V	97.4	Very high	95.3	Very high	10 Å²	10	65.2 Å²	65.2	6%	0.061	28%	0.283	C	S	.	.	H	α-helix	trans	-74.3	-50.4	178.2	175.2	0	0	0	0	111.7	P889 V892 K1031 V1032 I1033 K1038	P889-V1035 WeakPolarHBondContact O-CG1 3.36Å; V892-V1035 HydrophobicContact CG1-CG1 3.32Å; K1031-V1035 WeakPolarHBondContact O-CG2 3.48Å; K1031-V1035 PolarHBondContact O-N 3.5Å; K1031-V1035 VanDerWaalsContact O-N 3.14Å; V1032-V1035 PolarHBondContact O-N 3.14Å; I1033-V1035 VanDerWaalsContact C-N 3.27Å; I1033-V1035 PolarHBondContact O-N 3.47Å; V1035-K1038 WeakPolarHBondContact O-CD 3.43Å; V1035-K1038 WeakPolarHBondContact O-CG 3.34Å
1036	Q	97.6	Very high	94.2	Very high	0 Å²	0	65.7 Å²	65.7	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-84.2	-19.9	-166.6	-67	-72	-5.9	0	0	114.3	N901 V902 V1032 I1033 K1038 Y1039 W1040 L1043	N901-Q1036 PolarHBondContact O-NE2 2.99Å; V902-Q1036 HydrophobicContact CG1-CG 4.14Å; V1032-Q1036 HydrophobicContact CG1-CG 4.1Å; V1032-Q1036 WeakPolarHBondContact O-CB 3.31Å; V1032-Q1036 VanDerWaalsContact O-CG 3.27Å; V1032-Q1036 WeakPolarHBondContact O-CG 3.36Å; V1032-Q1036 PolarHBondContact O-N 2.87Å; I1033-Q1036 PolarHBondContact O-N 3.48Å; Q1036-K1038 PolarHBondContact O-N 3.33Å; Q1036-Y1039 PolarHBondContact O-N 3.25Å; Q1036-W1040 PolarHBondContact O-N 3.17Å; Q1036-L1043 HydrophobicContact CB-CD1 3.44Å; Q1036-L1043 VanDerWaalsContact CB-CD1 3.44Å
1037	S	96.3	Very high	93.1	Very high	37 Å²	37	67.3 Å²	67.3	26%	0.259	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-10.6	175.6	57.1	0	0	0	0	114.5	I1033 Y1039	I1033-S1037 WeakPolarHBondContact O-CB 3.28Å; I1033-S1037 PolarHBondContact O-N 3.43Å; I1033-S1037 PolarHBondContact O-OG 3.12Å; S1037-Y1039 VanDerWaalsContact C-N 3.29Å
1038	K	96.6	Very high	92.1	Very high	138 Å²	138	64 Å²	64	60%	0.6	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.9	-25.7	169.7	-59.6	171.1	-165.6	166.6	0	112.7	V1035 Q1036	V1035-K1038 WeakPolarHBondContact O-CD 3.43Å; V1035-K1038 WeakPolarHBondContact O-CG 3.34Å; Q1036-K1038 PolarHBondContact O-N 3.33Å
1039	Y	97.6	Very high	91.7	Very high	91 Å²	91	64.4 Å²	64.4	36%	0.357	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-114.7	-37.4	-173.8	-44.4	-62.4	0	0	0	111.7	V892 V898 Q1036 S1037	V892-Y1039 HydrophobicContact CB-CE2 4.11Å; V892-Y1039 HydrophobicContact CG1-CE2 4.1Å; V892-Y1039 HydrophobicContact CG2-CE2 4.21Å; V898-Y1039 HydrophobicContact CG1-CD1 4.33Å; V898-Y1039 HydrophobicContact CG1-CE1 3.63Å; Q1036-Y1039 PolarHBondContact O-N 3.25Å; S1037-Y1039 VanDerWaalsContact C-N 3.29Å
1040	W	97.4	Very high	91.4	Very high	16 Å²	16	64.7 Å²	64.7	6%	0.061	31%	0.306	C	S	.	.			trans	-110.7	121.3	-174.8	-57.6	99.6	0	0	0	111.8	L870 G899 F900 I930 E933 F934 Q1036 L1043	L870-W1040 HydrophobicContact CD1-CZ2 4.17Å; L870-W1040 HydrophobicContact CD2-CH2 4.44Å; G899-W1040 WeakPolarHBondContact O-CZ2 3.27Å; G899-W1040 PolarHBondContact O-NE1 3.03Å; F900-W1040 HydrophobicContact CD1-CH2 4.25Å; F900-W1040 HydrophobicContact CD1-CZ2 4.21Å; F900-W1040 HydrophobicContact CE1-CH2 4.03Å; F900-W1040 HydrophobicContact CE1-CZ2 4.32Å; I930-W1040 HydrophobicContact CB-CD2 4.44Å; I930-W1040 HydrophobicContact CD1-CG 4.5Å; I930-W1040 HydrophobicContact CG1-CB 4.23Å; I930-W1040 HydrophobicContact CG1-CD2 4.32Å; I930-W1040 HydrophobicContact CG1-CG 3.97Å; I930-W1040 HydrophobicContact CG2-CD2 3.7Å; I930-W1040 HydrophobicContact CG2-CE3 4Å; I930-W1040 HydrophobicContact CG2-CG 4.2Å; I930-W1040 HydrophobicContact CG2-CH2 4.18Å; I930-W1040 HydrophobicContact CG2-CZ2 3.89Å; I930-W1040 HydrophobicContact CG2-CZ3 4.22Å; E933-W1040 HydrophobicContact CB-CE3 3.98Å; E933-W1040 HydrophobicContact CB-CZ3 4.22Å; E933-W1040 HydrophobicContact CG-CE3 3.89Å; E933-W1040 HydrophobicContact CG-CZ3 4.21Å; F934-W1040 HydrophobicContact CB-CH2 3.87Å; F934-W1040 HydrophobicContact CB-CZ3 3.94Å; F934-W1040 HydrophobicContact CD2-CH2 4.01Å; F934-W1040 HydrophobicContact CG-CH2 4.34Å; Q1036-W1040 PolarHBondContact O-N 3.17Å; W1040-L1043 HydrophobicContact CB-CD1 3.97Å; W1040-L1043 HydrophobicContact CB-CG 4.04Å
1041	R	95.2	Very high	91.1	Very high	197 Å²	197	61.5 Å²	61.5	74%	0.743	30%	0.299	S	S	*	.	S	Bend	trans	-77.7	-29.2	-176.6	-59.7	177.4	177.1	176.2	-0.1	112.2	E933 L1043 Q1044	E933-R1041 WeakPolarHBondContact OE1-CB 2.82Å; E933-R1041 PolarHBondContact OE1-N 2.94Å; E933-R1041 PolarHBondContact OE2-N 3.33Å; R1041-L1043 VanDerWaalsContact C-N 3.26Å; R1041-L1043 PolarHBondContact O-N 3.42Å; R1041-Q1044 WeakPolarHBondContact O-CB 3.47Å; R1041-Q1044 WeakPolarHBondContact O-CG 3.37Å; R1041-Q1044 PolarHBondContact O-N 2.93Å
1042	S	94.3	Very high	91	Very high	32 Å²	32	60.6 Å²	60.6	22%	0.224	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.4	-40.9	177.2	53.1	0	0	0	0	112.9	P929 E933 Q1044 R1045	P929-S1042 PolarHBondContact O-OG 3.32Å; E933-S1042 WeakPolarHBondContact OE2-CB 3.43Å; E933-S1042 PolarHBondContact OE2-N 2.91Å; E933-S1042 PolarHBondContact OE2-OG 3.12Å; S1042-Q1044 PolarHBondContact O-N 2.73Å; S1042-R1045 PolarHBondContact O-N 2.94Å
1043	L	93.6	Very high	90.9	Very high	0 Å²	0	60.6 Å²	60.6	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-63.7	-21.7	-177.6	-61	-178.7	0	0	0	114.5	T925 P929 I930 I1033 Q1036 W1040 R1041 R1045 S1046	T925-L1043 WeakPolarHBondContact O-CD2 3.5Å; P929-L1043 HydrophobicContact CB-CD2 4.27Å; I930-L1043 HydrophobicContact CD1-CD1 4Å; I930-L1043 HydrophobicContact CD1-CD2 4.12Å; I930-L1043 HydrophobicContact CD1-CG 4.41Å; I930-L1043 HydrophobicContact CG1-CD1 4.14Å; I930-L1043 HydrophobicContact CG1-CD2 3.85Å; I930-L1043 HydrophobicContact CG1-CG 4.08Å; I1033-L1043 HydrophobicContact CG1-CD2 4.25Å; I1033-L1043 HydrophobicContact CG2-CB 4.37Å; Q1036-L1043 HydrophobicContact CB-CD1 3.44Å; Q1036-L1043 VanDerWaalsContact CB-CD1 3.44Å; W1040-L1043 HydrophobicContact CB-CD1 3.97Å; W1040-L1043 HydrophobicContact CB-CG 4.04Å; R1041-L1043 VanDerWaalsContact C-N 3.26Å; R1041-L1043 PolarHBondContact O-N 3.42Å; L1043-R1045 PolarHBondContact O-N 3.13Å; L1043-R1045 VanDerWaalsContact O-N 3.08Å; L1043-S1046 PolarHBondContact O-N 2.93Å; L1043-S1046 VanDerWaalsContact O-N 3.15Å
1044	Q	80.3	Confident	90.7	Very high	141 Å²	141	62 Å²	62	66%	0.659	30%	0.301	S	S	*	.	H	α-helix	trans	-62.9	-17.4	-179	-62	-178.5	-2.7	0	0	113.1	R1041 S1042	R1041-Q1044 WeakPolarHBondContact O-CB 3.47Å; R1041-Q1044 WeakPolarHBondContact O-CG 3.37Å; R1041-Q1044 PolarHBondContact O-N 2.93Å; S1042-Q1044 PolarHBondContact O-N 2.73Å
1045	R	76.2	Confident	90.6	Very high	218 Å²	218	59.3 Å²	59.3	82%	0.823	29%	0.29	S	S	*	.	H	α-helix	trans	-94.3	-33.9	175.6	-59.9	-178.8	-176.8	178.9	0.7	112.9	S1042 L1043 A1047 S1048	S1042-R1045 PolarHBondContact O-N 2.94Å; L1043-R1045 PolarHBondContact O-N 3.13Å; L1043-R1045 VanDerWaalsContact O-N 3.08Å; R1045-A1047 VanDerWaalsContact C-N 3.31Å; R1045-A1047 PolarHBondContact O-N 2.74Å; R1045-S1048 PolarHBondContact O-OG 2.89Å
1046	S	75.6	Confident	90.4	Very high	11 Å²	11	62.3 Å²	62.3	8%	0.077	30%	0.303	C	S	.	.	H	α-helix	trans	-59.8	-36.6	-172.7	-59.7	0	0	0	0	113.9	T925 L1043 S1048 T1049	T925-S1046 VanDerWaalsContact O-CB 3.27Å; T925-S1046 WeakPolarHBondContact O-CB 3.48Å; T925-S1046 PolarHBondContact O-OG 3.4Å; L1043-S1046 PolarHBondContact O-N 2.93Å; L1043-S1046 VanDerWaalsContact O-N 3.15Å; S1046-S1048 PolarHBondContact O-N 2.89Å; S1046-T1049 PolarHBondContact O-N 3.38Å; S1046-T1049 PolarHBondContact O-OG1 3.14Å
1047	A	73.4	Confident	90.1	Very high	54 Å²	54	62.4 Å²	62.4	45%	0.446	31%	0.305	S	S	.	.	G	3₁₀ helix	trans	-52.9	-34.6	-168.7	0	0	0	0	0	114.8	I1033 R1045 T1049	I1033-A1047 HydrophobicContact CG2-CB 4.37Å; R1045-A1047 VanDerWaalsContact C-N 3.31Å; R1045-A1047 PolarHBondContact O-N 2.74Å; A1047-T1049 PolarHBondContact O-N 2.98Å
1048	S	78.9	Confident	89.7	Confident	81 Å²	81	65 Å²	65	57%	0.566	32%	0.315	S	S	*	.	G	3₁₀ helix	trans	-73	-8.5	179.7	64.6	0	0	0	0	115	R1045 S1046 W1052	R1045-S1048 PolarHBondContact O-OG 2.89Å; S1046-S1048 PolarHBondContact O-N 2.89Å; S1048-W1052 PolarHBondContact O-NE1 3Å
1049	T	90.3	Very high	89.3	Confident	17 Å²	17	63.2 Å²	63.2	10%	0.104	31%	0.309	C	S	.	.	G	3₁₀ helix	trans	-122.5	12.1	-169.6	70.8	0	0	0	0	114.1	R924 S1046 A1047 W1052	R924-T1049 PolarHBondContact NH1-O 3.28Å; R924-T1049 PolarHBondContact NH1-OG1 3.19Å; R924-T1049 PolarHBondContact NH2-O 3.49Å; S1046-T1049 PolarHBondContact O-N 3.38Å; S1046-T1049 PolarHBondContact O-OG1 3.14Å; A1047-T1049 PolarHBondContact O-N 2.98Å; T1049-W1052 HydrophobicContact CG2-CD2 4.14Å; T1049-W1052 HydrophobicContact CG2-CE3 4.09Å; T1049-W1052 HydrophobicContact CG2-CH2 4.15Å; T1049-W1052 HydrophobicContact CG2-CZ2 4.14Å; T1049-W1052 HydrophobicContact CG2-CZ3 4.11Å; T1049-W1052 WeakPolarHBondContact O-CB 3.47Å; T1049-W1052 PolarHBondContact O-N 2.88Å
1050	L	90.7	Very high	88.7	Confident	5 Å²	5	62.2 Å²	62.2	3%	0.026	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67	-45.2	-171	-62.5	169.4	0	0	0	112.4	T925 P1021 V1026 M1029 E1030 I1033 W1052	T925-L1050 HydrophobicContact CG2-CD2 3.8Å; T925-L1050 WeakPolarHBondContact OG1-CD2 3.43Å; P1021-L1050 WeakPolarHBondContact CG-O 3.27Å; V1026-L1050 HydrophobicContact CG1-CB 4.2Å; M1029-L1050 HydrophobicContact CB-CD2 3.96Å; M1029-L1050 HydrophobicContact CE-CB 4.49Å; E1030-L1050 HydrophobicContact CB-CD1 4.29Å; E1030-L1050 HydrophobicContact CG-CD1 3.43Å; E1030-L1050 VanDerWaalsContact CG-CD1 3.43Å; I1033-L1050 HydrophobicContact CD1-CD1 4.06Å; I1033-L1050 HydrophobicContact CD1-CD2 3.44Å; I1033-L1050 VanDerWaalsContact CD1-CD2 3.44Å; I1033-L1050 HydrophobicContact CD1-CG 4.3Å; L1050-W1052 PolarHBondContact O-N 3.46Å
1051	G	92.4	Very high	88.1	Confident	30 Å²	30	65.7 Å²	65.7	31%	0.309	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81	19.2	176.8	0	0	0	0	0	115.8
1052	W	94.9	Very high	87.6	Confident	74 Å²	74	59.9 Å²	59.9	28%	0.28	31%	0.31	S	S	.	.			trans	-94.8	140.8	-179.3	-64.7	17.6	0	0	0	111.1	R924 P1021 S1048 T1049 L1050 E1056 R1060	R924-W1052 PolarHBondContact NH2-O 3.31Å; P1021-W1052 WeakPolarHBondContact CD-O 3.43Å; S1048-W1052 PolarHBondContact O-NE1 3Å; T1049-W1052 HydrophobicContact CG2-CD2 4.14Å; T1049-W1052 HydrophobicContact CG2-CE3 4.09Å; T1049-W1052 HydrophobicContact CG2-CH2 4.15Å; T1049-W1052 HydrophobicContact CG2-CZ2 4.14Å; T1049-W1052 HydrophobicContact CG2-CZ3 4.11Å; T1049-W1052 WeakPolarHBondContact O-CB 3.47Å; T1049-W1052 PolarHBondContact O-N 2.88Å; L1050-W1052 PolarHBondContact O-N 3.46Å; W1052-E1056 WeakPolarHBondContact CA-OE2 3.49Å; W1052-E1056 HydrophobicContact CB-CB 4.21Å; W1052-E1056 HydrophobicContact CE3-CB 4.45Å; W1052-R1060 HydrophobicContact CH2-CB 4.27Å; W1052-R1060 HydrophobicContact CH2-CG 3.87Å; W1052-R1060 HydrophobicContact CZ3-CB 3.64Å; W1052-R1060 HydrophobicContact CZ3-CG 3.66Å
1053	S	96.3	Very high	87.2	Confident	1 Å²	1	63 Å²	63	1%	0.007	32%	0.321	C	S	.	.			trans	-66.6	166.1	169.1	76.7	0	0	0	0	111.1	L1017 Q1018 Q1019 N1055 E1056 A1057	L1017-S1053 WeakPolarHBondContact O-CB 3.37Å; L1017-S1053 PolarHBondContact O-OG 3.48Å; Q1018-S1053 VanDerWaalsContact O-CB 3.25Å; Q1018-S1053 WeakPolarHBondContact O-CB 3.39Å; Q1019-S1053 WeakPolarHBondContact O-CA 3.39Å; Q1019-S1053 VanDerWaalsContact O-CB 3.26Å; Q1019-S1053 WeakPolarHBondContact O-CB 3.48Å; S1053-N1055 VanDerWaalsContact C-N 3.28Å; S1053-N1055 PolarHBondContact O-N 3.01Å; S1053-E1056 PolarHBondContact N-OE2 2.93Å; S1053-E1056 PolarHBondContact O-N 3.36Å; S1053-E1056 WeakPolarHBondContact OG-CG 3.44Å; S1053-E1056 PolarHBondContact OG-N 3.47Å; S1053-E1056 VanDerWaalsContact OG-N 3.15Å; S1053-E1056 PolarHBondContact OG-OE2 3.41Å; S1053-A1057 PolarHBondContact O-N 3.35Å; S1053-A1057 VanDerWaalsContact O-N 3.14Å
1054	L	93.6	Very high	86.7	Confident	39 Å²	39	67.7 Å²	67.7	20%	0.204	34%	0.343	C	S	.	.	H	α-helix	trans	-65.9	-35	177.7	-175.1	55.2	0	0	0	111.3	L920 I1012 L1017 A1057 L1058	L920-L1054 HydrophobicContact CD1-CD2 4.16Å; I1012-L1054 HydrophobicContact CD1-CD2 4.32Å; L1017-L1054 HydrophobicContact CD2-CB 4.43Å; L1017-L1054 HydrophobicContact CD2-CD2 3.84Å; L1017-L1054 HydrophobicContact CD2-CG 4.33Å; L1017-L1054 PolarHBondContact O-N 3Å; L1054-A1057 PolarHBondContact O-N 3.38Å; L1054-L1058 HydrophobicContact CD1-CD1 4.34Å; L1054-L1058 HydrophobicContact CD1-CG 4.31Å; L1054-L1058 HydrophobicContact CG-CD1 4.05Å; L1054-L1058 HydrophobicContact CG-CG 4.49Å; L1054-L1058 WeakPolarHBondContact O-CB 3.41Å; L1054-L1058 VanDerWaalsContact O-CG 3.28Å; L1054-L1058 WeakPolarHBondContact O-CG 3.44Å; L1054-L1058 PolarHBondContact O-N 2.95Å
1055	N	93.3	Very high	86.9	Confident	53 Å²	53	63.9 Å²	63.9	28%	0.283	34%	0.336	S	S	.	.	H	α-helix	trans	-68.6	-41.1	176.4	-165.8	31.7	0	0	0	112.5	L1017 Q1018 S1053 A1057 L1058 Q1059	L1017-N1055 WeakPolarHBondContact O-CB 3.49Å; L1017-N1055 PolarHBondContact O-N 3.3Å; Q1018-N1055 PolarHBondContact NE2-ND2 3.48Å; S1053-N1055 VanDerWaalsContact C-N 3.28Å; S1053-N1055 PolarHBondContact O-N 3.01Å; N1055-A1057 VanDerWaalsContact C-N 3.31Å; N1055-A1057 PolarHBondContact O-N 2.94Å; N1055-L1058 PolarHBondContact O-N 3.43Å; N1055-Q1059 WeakPolarHBondContact O-CB 3.41Å; N1055-Q1059 PolarHBondContact O-N 3.35Å
1056	E	93.6	Very high	87.5	Confident	73 Å²	73	59.9 Å²	59.9	34%	0.341	33%	0.327	S	S	.	.	H	α-helix	trans	-61.7	-38.6	175	-73.8	173.8	138.8	0	0	112.2	K1020 W1052 S1053 R1060	K1020-E1056 WeakPolarHBondContact CE-OE1 3.31Å; K1020-E1056 IonicContact NZ-OE1 2.65Å; K1020-E1056 PolarHBondContact NZ-OE1 3.32Å; K1020-E1056 IonicContact NZ-OE2 2.75Å; K1020-E1056 PolarHBondContact NZ-OE2 3.09Å; W1052-E1056 WeakPolarHBondContact CA-OE2 3.49Å; W1052-E1056 HydrophobicContact CB-CB 4.21Å; W1052-E1056 HydrophobicContact CE3-CB 4.45Å; S1053-E1056 PolarHBondContact N-OE2 2.93Å; S1053-E1056 PolarHBondContact O-N 3.36Å; S1053-E1056 WeakPolarHBondContact OG-CG 3.44Å; S1053-E1056 PolarHBondContact OG-N 3.47Å; S1053-E1056 VanDerWaalsContact OG-N 3.15Å; S1053-E1056 PolarHBondContact OG-OE2 3.41Å; E1056-R1060 WeakPolarHBondContact O-CB 3.44Å; E1056-R1060 PolarHBondContact O-N 2.94Å
1057	A	91.1	Very high	88	Confident	3 Å²	3	63.1 Å²	63.1	3%	0.025	35%	0.346	C	S	.	.	H	α-helix	trans	-66.6	-50.7	174.5	0	0	0	0	0	112.1	S1053 L1054 N1055 Q1059 R1060 D1061	S1053-A1057 PolarHBondContact O-N 3.35Å; S1053-A1057 VanDerWaalsContact O-N 3.14Å; L1054-A1057 PolarHBondContact O-N 3.38Å; N1055-A1057 VanDerWaalsContact C-N 3.31Å; N1055-A1057 PolarHBondContact O-N 2.94Å; A1057-Q1059 VanDerWaalsContact C-N 3.34Å; A1057-Q1059 PolarHBondContact O-N 3.12Å; A1057-R1060 PolarHBondContact O-N 2.81Å; A1057-D1061 VanDerWaalsContact O-CG 3.32Å; A1057-D1061 PolarHBondContact O-N 3.47Å
1058	L	88.4	Confident	88.6	Confident	90 Å²	90	64.8 Å²	64.8	47%	0.471	35%	0.35	S	S	.	.	H	α-helix	trans	-60.5	-40.6	-179.2	-72.5	169.5	0	0	0	112.7	L1054 N1055 R1060 D1061 V1062	L1054-L1058 HydrophobicContact CD1-CD1 4.34Å; L1054-L1058 HydrophobicContact CD1-CG 4.31Å; L1054-L1058 HydrophobicContact CG-CD1 4.05Å; L1054-L1058 HydrophobicContact CG-CG 4.49Å; L1054-L1058 WeakPolarHBondContact O-CB 3.41Å; L1054-L1058 VanDerWaalsContact O-CG 3.28Å; L1054-L1058 WeakPolarHBondContact O-CG 3.44Å; L1054-L1058 PolarHBondContact O-N 2.95Å; N1055-L1058 PolarHBondContact O-N 3.43Å; L1058-R1060 PolarHBondContact O-N 3.06Å; L1058-D1061 PolarHBondContact O-N 3.13Å; L1058-V1062 WeakPolarHBondContact O-CG2 3.45Å; L1058-V1062 PolarHBondContact O-N 3.15Å
1059	Q	89	Confident	89	Confident	101 Å²	101	64.5 Å²	64.5	47%	0.472	35%	0.348	S	S	.	.	H	α-helix	trans	-61.3	-44.1	176.5	179.7	59.5	36.9	0	0	111.4	N1055 A1057 V1062 E1063	N1055-Q1059 WeakPolarHBondContact O-CB 3.41Å; N1055-Q1059 PolarHBondContact O-N 3.35Å; A1057-Q1059 VanDerWaalsContact C-N 3.34Å; A1057-Q1059 PolarHBondContact O-N 3.12Å; Q1059-V1062 PolarHBondContact O-N 3.3Å; Q1059-E1063 WeakPolarHBondContact CG-OE1 3.46Å; Q1059-E1063 PolarHBondContact NE2-OE1 3.23Å; Q1059-E1063 WeakPolarHBondContact O-CG 3.22Å; Q1059-E1063 PolarHBondContact O-N 2.98Å
1060	R	85.1	Confident	88.8	Confident	71 Å²	71	66.1 Å²	66.1	27%	0.268	36%	0.364	S	S	.	.	H	α-helix	trans	-69.6	-35.4	177.8	-178.7	-99.5	-176.7	101	-5.1	113	W1052 E1056 A1057 L1058 V1062 E1063 E1064	W1052-R1060 HydrophobicContact CH2-CB 4.27Å; W1052-R1060 HydrophobicContact CH2-CG 3.87Å; W1052-R1060 HydrophobicContact CZ3-CB 3.64Å; W1052-R1060 HydrophobicContact CZ3-CG 3.66Å; E1056-R1060 WeakPolarHBondContact O-CB 3.44Å; E1056-R1060 PolarHBondContact O-N 2.94Å; A1057-R1060 PolarHBondContact O-N 2.81Å; L1058-R1060 PolarHBondContact O-N 3.06Å; R1060-V1062 VanDerWaalsContact C-N 3.31Å; R1060-E1063 PolarHBondContact O-N 3.23Å; R1060-E1064 IonicContact CZ-OE1 3.54Å; R1060-E1064 VanDerWaalsContact NE-CD 3.35Å; R1060-E1064 IonicContact NE-OE1 3.4Å; R1060-E1064 PolarHBondContact NE-OE1 3.43Å; R1060-E1064 IonicContact NH2-OE1 2.78Å; R1060-E1064 PolarHBondContact NH2-OE1 2.99Å; R1060-E1064 PolarHBondContact O-N 3.24Å
1061	D	83.3	Confident	88.6	Confident	89 Å²	89	71.2 Å²	71.2	48%	0.476	39%	0.388	S	S	.	.	H	α-helix	trans	-65.6	-35.8	174.7	-69.6	-13.9	0	0	0	111.1	A1057 L1058 A1065	A1057-D1061 VanDerWaalsContact O-CG 3.32Å; A1057-D1061 PolarHBondContact O-N 3.47Å; L1058-D1061 PolarHBondContact O-N 3.13Å; D1061-A1065 VanDerWaalsContact O-CB 3.28Å; D1061-A1065 WeakPolarHBondContact O-CB 3.22Å; D1061-A1065 PolarHBondContact O-N 2.94Å
1062	V	84.9	Confident	88.2	Confident	75 Å²	75	72.3 Å²	72.3	46%	0.455	40%	0.395	S	S	.	.	H	α-helix	trans	-65.9	-47.3	170.7	171	0	0	0	0	111	L1058 Q1059 R1060 E1064 A1065 E1066	L1058-V1062 WeakPolarHBondContact O-CG2 3.45Å; L1058-V1062 PolarHBondContact O-N 3.15Å; Q1059-V1062 PolarHBondContact O-N 3.3Å; R1060-V1062 VanDerWaalsContact C-N 3.31Å; V1062-E1064 PolarHBondContact O-N 2.85Å; V1062-A1065 PolarHBondContact O-N 3.05Å; V1062-A1065 VanDerWaalsContact O-N 3.16Å; V1062-E1066 HydrophobicContact CG1-CG 4.37Å; V1062-E1066 WeakPolarHBondContact O-CG 3.36Å; V1062-E1066 PolarHBondContact O-N 3.48Å
1063	E	86.6	Confident	87.7	Confident	98 Å²	98	72.1 Å²	72.1	46%	0.458	41%	0.405	S	S	.	.	H	α-helix	trans	-62.2	-38.5	178.5	-73.4	169.1	-161.9	0	0	112.6	Q1059 R1060 T1067	Q1059-E1063 WeakPolarHBondContact CG-OE1 3.46Å; Q1059-E1063 PolarHBondContact NE2-OE1 3.23Å; Q1059-E1063 WeakPolarHBondContact O-CG 3.22Å; Q1059-E1063 PolarHBondContact O-N 2.98Å; R1060-E1063 PolarHBondContact O-N 3.23Å; E1063-T1067 VanDerWaalsContact O-CB 3.27Å; E1063-T1067 WeakPolarHBondContact O-CB 3.45Å; E1063-T1067 PolarHBondContact O-N 3.35Å; E1063-T1067 PolarHBondContact O-OG1 2.93Å
1064	E	83.8	Confident	86.8	Confident	98 Å²	98	78 Å²	78	46%	0.458	44%	0.435	S	S	.	.	H	α-helix	trans	-68.2	-40.2	172.2	-75.4	-164.6	-176.5	0	0	112	R1060 V1062 T1067 V1068	R1060-E1064 IonicContact CZ-OE1 3.54Å; R1060-E1064 VanDerWaalsContact NE-CD 3.35Å; R1060-E1064 IonicContact NE-OE1 3.4Å; R1060-E1064 PolarHBondContact NE-OE1 3.43Å; R1060-E1064 IonicContact NH2-OE1 2.78Å; R1060-E1064 PolarHBondContact NH2-OE1 2.99Å; R1060-E1064 PolarHBondContact O-N 3.24Å; V1062-E1064 PolarHBondContact O-N 2.85Å; E1064-T1067 PolarHBondContact O-N 3.32Å; E1064-V1068 WeakPolarHBondContact O-CB 3.49Å; E1064-V1068 VanDerWaalsContact O-CG2 3.3Å; E1064-V1068 WeakPolarHBondContact O-CG2 3.31Å; E1064-V1068 PolarHBondContact O-N 3.02Å
1065	A	83.6	Confident	85.9	Confident	61 Å²	61	79.7 Å²	79.7	50%	0.504	45%	0.451	S	S	.	.	H	α-helix	trans	-64.8	-42	176.1	0	0	0	0	0	112.7	D1061 V1062 V1068 S1069	D1061-A1065 VanDerWaalsContact O-CB 3.28Å; D1061-A1065 WeakPolarHBondContact O-CB 3.22Å; D1061-A1065 PolarHBondContact O-N 2.94Å; V1062-A1065 PolarHBondContact O-N 3.05Å; V1062-A1065 VanDerWaalsContact O-N 3.16Å; A1065-V1068 PolarHBondContact O-N 3.33Å; A1065-S1069 VanDerWaalsContact O-CB 3.29Å; A1065-S1069 WeakPolarHBondContact O-CB 3.28Å; A1065-S1069 PolarHBondContact O-N 3.35Å
1066	E	88.4	Confident	84.4	Confident	134 Å²	134	81 Å²	81	63%	0.626	46%	0.461	S	S	*	.	H	α-helix	trans	-64.3	-42.2	173.1	-72.9	-169.1	169.3	0	0	111.3	V1062 S1069 A1070	V1062-E1066 HydrophobicContact CG1-CG 4.37Å; V1062-E1066 WeakPolarHBondContact O-CG 3.36Å; V1062-E1066 PolarHBondContact O-N 3.48Å; E1066-S1069 WeakPolarHBondContact O-CB 3.45Å; E1066-S1069 PolarHBondContact O-N 3.15Å; E1066-A1070 WeakPolarHBondContact O-CB 3.25Å; E1066-A1070 PolarHBondContact O-N 3Å
1067	T	87.4	Confident	82.7	Confident	79 Å²	79	80 Å²	80	49%	0.485	46%	0.464	S	S	.	.	H	α-helix	trans	-63.1	-43.2	176.2	-59.5	0	0	0	0	111.7	E1063 E1064 A1070 M1071	E1063-T1067 VanDerWaalsContact O-CB 3.27Å; E1063-T1067 WeakPolarHBondContact O-CB 3.45Å; E1063-T1067 PolarHBondContact O-N 3.35Å; E1063-T1067 PolarHBondContact O-OG1 2.93Å; E1064-T1067 PolarHBondContact O-N 3.32Å; T1067-A1070 PolarHBondContact O-N 2.91Å; T1067-M1071 HydrophobicContact CG2-CE 4.22Å; T1067-M1071 WeakPolarHBondContact O-CB 3.21Å; T1067-M1071 WeakPolarHBondContact O-CG 3.49Å; T1067-M1071 PolarHBondContact O-N 3.49Å
1068	V	85.1	Confident	81.1	Confident	89 Å²	89	85.4 Å²	85.4	54%	0.539	49%	0.493	S	S	.	.	H	α-helix	trans	-64.7	-41.2	174.7	169.3	0	0	0	0	111.3	E1064 A1065 M1071 A1072	E1064-V1068 WeakPolarHBondContact O-CB 3.49Å; E1064-V1068 VanDerWaalsContact O-CG2 3.3Å; E1064-V1068 WeakPolarHBondContact O-CG2 3.31Å; E1064-V1068 PolarHBondContact O-N 3.02Å; A1065-V1068 PolarHBondContact O-N 3.33Å; V1068-M1071 HydrophobicContact CG2-CE 4.08Å; V1068-M1071 PolarHBondContact O-N 2.85Å; V1068-A1072 WeakPolarHBondContact O-CB 3.41Å; V1068-A1072 PolarHBondContact O-N 2.87Å
1069	S	86.8	Confident	79.4	Confident	74 Å²	74	89.2 Å²	89.2	52%	0.517	51%	0.506	S	S	.	.	H	α-helix	trans	-62.7	-41.1	175.6	-172.2	0	0	0	0	112.3	A1065 E1066 S1073	A1065-S1069 VanDerWaalsContact O-CB 3.29Å; A1065-S1069 WeakPolarHBondContact O-CB 3.28Å; A1065-S1069 PolarHBondContact O-N 3.35Å; E1066-S1069 WeakPolarHBondContact O-CB 3.45Å; E1066-S1069 PolarHBondContact O-N 3.15Å; S1069-S1073 WeakPolarHBondContact O-CB 3.37Å; S1069-S1073 PolarHBondContact O-N 3.16Å; S1069-S1073 PolarHBondContact O-OG 2.84Å
1070	A	87.2	Confident	77.7	Confident	52 Å²	52	90.2 Å²	90.2	43%	0.43	51%	0.51	S	S	.	.	H	α-helix	trans	-65.7	-46.2	174.2	0	0	0	0	0	111.8	E1066 T1067 A1072 S1073 L1074	E1066-A1070 WeakPolarHBondContact O-CB 3.25Å; E1066-A1070 PolarHBondContact O-N 3Å; T1067-A1070 PolarHBondContact O-N 2.91Å; A1070-A1072 PolarHBondContact O-N 3.45Å; A1070-S1073 WeakPolarHBondContact O-CB 3.46Å; A1070-S1073 PolarHBondContact O-N 3.4Å; A1070-L1074 WeakPolarHBondContact O-CG 3.25Å; A1070-L1074 PolarHBondContact O-N 2.92Å
1071	M	86.7	Confident	76.2	Confident	111 Å²	111	92.8 Å²	92.8	55%	0.547	53%	0.528	S	S	.	.	H	α-helix	trans	-61.8	-41.2	175.8	-72.8	-169.9	-60.6	0	0	112.4	T1067 V1068 L1074 S1075	T1067-M1071 HydrophobicContact CG2-CE 4.22Å; T1067-M1071 WeakPolarHBondContact O-CB 3.21Å; T1067-M1071 WeakPolarHBondContact O-CG 3.49Å; T1067-M1071 PolarHBondContact O-N 3.49Å; V1068-M1071 HydrophobicContact CG2-CE 4.08Å; V1068-M1071 PolarHBondContact O-N 2.85Å; M1071-L1074 PolarHBondContact O-N 2.98Å; M1071-S1075 WeakPolarHBondContact O-CB 3.18Å; M1071-S1075 PolarHBondContact O-N 3.45Å
1072	A	84	Confident	74.6	Confident	54 Å²	54	92.1 Å²	92.1	45%	0.446	54%	0.542	S	S	.	.	H	α-helix	trans	-61.8	-44.2	174.1	0	0	0	0	0	111.3	V1068 A1070 L1074 S1075 V1076	V1068-A1072 WeakPolarHBondContact O-CB 3.41Å; V1068-A1072 PolarHBondContact O-N 2.87Å; A1070-A1072 PolarHBondContact O-N 3.45Å; A1072-L1074 PolarHBondContact O-N 2.82Å; A1072-S1075 WeakPolarHBondContact O-CB 3.41Å; A1072-S1075 PolarHBondContact O-N 3.45Å; A1072-V1076 WeakPolarHBondContact O-CG2 3.37Å; A1072-V1076 PolarHBondContact O-N 3.23Å
1073	S	83	Confident	72.8	Confident	70 Å²	70	97.9 Å²	97.9	49%	0.49	56%	0.561	S	S	.	*	H	α-helix	trans	-60.7	-42.3	176.7	-59.9	0	0	0	0	112.4	S1069 A1070 V1076 A1077	S1069-S1073 WeakPolarHBondContact O-CB 3.37Å; S1069-S1073 PolarHBondContact O-N 3.16Å; S1069-S1073 PolarHBondContact O-OG 2.84Å; A1070-S1073 WeakPolarHBondContact O-CB 3.46Å; A1070-S1073 PolarHBondContact O-N 3.4Å; S1073-V1076 PolarHBondContact O-N 3.29Å; S1073-A1077 PolarHBondContact O-N 2.92Å
1074	L	79.3	Confident	70.9	Confident	123 Å²	123	104.2 Å²	104.2	64%	0.644	58%	0.581	S	S	*	*	H	α-helix	trans	-65.1	-39.8	174	-69.6	170	0	0	0	112	A1070 M1071 A1072 V1076 A1077 N1078	A1070-L1074 WeakPolarHBondContact O-CG 3.25Å; A1070-L1074 PolarHBondContact O-N 2.92Å; M1071-L1074 PolarHBondContact O-N 2.98Å; A1072-L1074 PolarHBondContact O-N 2.82Å; L1074-V1076 VanDerWaalsContact C-N 3.3Å; L1074-V1076 PolarHBondContact O-N 3.48Å; L1074-A1077 PolarHBondContact O-N 2.96Å; L1074-N1078 PolarHBondContact O-N 2.86Å
1075	S	73	Confident	69.2	Low	76 Å²	76	104.2 Å²	104.2	53%	0.531	60%	0.597	S	S	.	*	H	α-helix	trans	-65.2	-31.2	176.2	-173.9	0	0	0	0	113.1	M1071 A1072	M1071-S1075 WeakPolarHBondContact O-CB 3.18Å; M1071-S1075 PolarHBondContact O-N 3.45Å; A1072-S1075 WeakPolarHBondContact O-CB 3.41Å; A1072-S1075 PolarHBondContact O-N 3.45Å
1076	V	63.2	Low	67.5	Low	81 Å²	81	110.9 Å²	110.9	49%	0.491	62%	0.618	S	S	.	*	H	α-helix	trans	-73.6	-45.7	172.6	173.8	0	0	0	0	110.5	A1072 S1073 L1074 N1078 K1079 H1080	A1072-V1076 WeakPolarHBondContact O-CG2 3.37Å; A1072-V1076 PolarHBondContact O-N 3.23Å; S1073-V1076 PolarHBondContact O-N 3.29Å; L1074-V1076 VanDerWaalsContact C-N 3.3Å; L1074-V1076 PolarHBondContact O-N 3.48Å; V1076-N1078 VanDerWaalsContact C-N 3.28Å; V1076-N1078 PolarHBondContact O-N 3.03Å; V1076-K1079 PolarHBondContact O-N 3.47Å; V1076-K1079 VanDerWaalsContact O-N 3.15Å; V1076-H1080 PolarHBondContact O-CD2 3.49Å
1077	A	58.1	Low	65.2	Low	50 Å²	50	113.5 Å²	113.5	41%	0.413	63%	0.63	S	S	.	*	H	α-helix	trans	-56.2	-41.7	178.5	0	0	0	0	0	112.5	S1073 L1074 K1079 H1080	S1073-A1077 PolarHBondContact O-N 2.92Å; L1074-A1077 PolarHBondContact O-N 2.96Å; A1077-K1079 VanDerWaalsContact C-N 3.26Å; A1077-K1079 PolarHBondContact O-N 3.24Å; A1077-H1080 PolarHBondContact O-N 3.26Å
1078	N	55.7	Low	63.3	Low	117 Å²	117	118.6 Å²	118.6	63%	0.626	65%	0.649	S	S	*	*	H	α-helix	trans	-66.7	-25.1	-177.7	-138.5	13.4	0	0	0	113.3	L1074 V1076 H1080 I1081	L1074-N1078 PolarHBondContact O-N 2.86Å; V1076-N1078 VanDerWaalsContact C-N 3.28Å; V1076-N1078 PolarHBondContact O-N 3.03Å; N1078-H1080 VanDerWaalsContact C-N 3.27Å; N1078-H1080 PolarHBondContact O-N 3.47Å; N1078-I1081 PolarHBondContact O-N 2.98Å
1079	K	52.7	Low	61.4	Low	171 Å²	171	120.4 Å²	120.4	74%	0.743	66%	0.662	S	S	*	*	H	α-helix	trans	-70.1	-20.4	173.4	-73.6	-175.5	176.3	-179.5	0	113.6	V1076 A1077	V1076-K1079 PolarHBondContact O-N 3.47Å; V1076-K1079 VanDerWaalsContact O-N 3.15Å; A1077-K1079 VanDerWaalsContact C-N 3.26Å; A1077-K1079 PolarHBondContact O-N 3.24Å
1080	H	53	Low	59.1	Low	122 Å²	122	125.6 Å²	125.6	57%	0.565	68%	0.681	S	S	*	*	H	α-helix	trans	-89.6	-15.3	177.8	-70.1	-73.3	0	0	0	113.7	V1076 A1077 N1078	V1076-H1080 PolarHBondContact O-CD2 3.49Å; A1077-H1080 PolarHBondContact O-N 3.26Å; N1078-H1080 VanDerWaalsContact C-N 3.27Å; N1078-H1080 PolarHBondContact O-N 3.47Å
1081	I	54	Low	57.2	Low	124 Å²	124	132.3 Å²	132.3	64%	0.636	70%	0.703	S	S	*	*	H	α-helix	trans	-76.9	-35.9	179.2	-73.3	172	0	0	0	111.6	N1078 K1083	N1078-I1081 PolarHBondContact O-N 2.98Å; I1081-K1083 PolarHBondContact O-N 3.24Å
1082	G	49.3	Very low	55	Low	76 Å²	76	136.4 Å²	136.4	78%	0.784	72%	0.721	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.3	17.8	-179.5	0	0	0	0	0	116.4
1083	K	47.7	Very low	52.7	Low	196 Å²	196	143.1 Å²	143.1	85%	0.852	74%	0.743	S	S	*	*	T	Hydrogen-bonded Turn	trans	-137	16.7	-174.4	-126.7	-174.6	-175.6	-170.9	0	115.1	I1081	I1081-K1083 PolarHBondContact O-N 3.24Å
1084	R	47.9	Very low	50.7	Low	231 Å²	231	143.8 Å²	143.8	87%	0.872	75%	0.753	S	S	*	*			trans	-141.2	64	-178.4	-158.1	177.9	-165.2	-174.8	3.7	112.7
1085	A	47.2	Very low	49.7	Very low	97 Å²	97	143.7 Å²	143.7	80%	0.802	76%	0.76	S	S	*	*			trans	-149.2	37.7	179.1	0	0	0	0	0	112.8
1086	E	47	Very low	47.9	Very low	201 Å²	201	152.9 Å²	152.9	94%	0.939	80%	0.797	S	S	*	*			trans	-157.6	81.5	170	-131.7	170.5	-118	0	0	109.9
1087	E	42	Very low	47.1	Very low	189 Å²	189	156.5 Å²	156.5	88%	0.883	81%	0.812	S	S	*	*			trans	-156.1	102	168.4	-147.8	165.9	-145.3	0	0	107.2
1088	E	45.8	Very low	46.5	Very low	187 Å²	187	162.1 Å²	162.1	87%	0.874	83%	0.833	S	S	*	*			trans	-77.4	144.4	-178.8	-67.6	-173.1	126.8	0	0	111.4	M1090	E1088-M1090 PolarHBondContact O-N 3.36Å; E1088-M1090 VanDerWaalsContact O-N 3.14Å
1089	P	44.9	Very low	46	Very low	127 Å²	127	164.6 Å²	164.6	83%	0.825	85%	0.845	S	S	*	*			trans	-77.1	99.3	172.6	31.7	-32.1	0	0	0	110
1090	M	39.8	Very low	45.6	Very low	183 Å²	183	164.2 Å²	164.2	90%	0.901	85%	0.851	S	S	*	*			trans	-76.8	129.3	169.4	-157.4	-179.7	-53.5	0	0	109.5	E1088	E1088-M1090 PolarHBondContact O-N 3.36Å; E1088-M1090 VanDerWaalsContact O-N 3.14Å
1091	E	46.3	Very low	45.2	Very low	192 Å²	192	166.8 Å²	166.8	90%	0.897	87%	0.869	S	S	*	*			trans	-73.5	133.6	-178	-63.1	-176	130.2	0	0	111.5	E1093	E1091-E1093 PolarHBondContact O-N 3.2Å
1092	E	40.3	Very low	44.6	Very low	197 Å²	197	169.7 Å²	169.7	92%	0.921	88%	0.884	S	S	*	*			trans	-92.8	96.5	179.8	-173.1	176.3	-161.3	0	0	110.4
1093	E	35.9	Very low	44.2	Very low	196 Å²	196	176.4 Å²	176.4	92%	0.916	89%	0.892	S	S	*	*			trans	-86.1	138.7	167.4	-164.5	170.6	-139.9	0	0	110.4	E1091	E1091-E1093 PolarHBondContact O-N 3.2Å
1094	A	42.3	Very low	44	Very low	84 Å²	84	174.8 Å²	174.8	69%	0.694	90%	0.895	S	S	*	*			trans	-104.4	-166.5	-162.7	0	0	0	0	0	113.2
1095	P	58	Low	43.6	Very low	121 Å²	121	170.2 Å²	170.2	79%	0.786	90%	0.896	S	S	*	*				-125.9	161.2	-81.9	38.2	-25.4	0	0	0	113.6
1096	M	33.9	Very low	43.3	Very low	268 Å²	268	176.8 Å²	176.8	100%	1.32	91%	0.905	S	S	*	*			trans	-154.7	0	151.1	-85.7	-146.3	-67.8	0	0	111.6

Retrieved 1,096 of 1,096 residues in 373.2 ms (Link to these results)

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