A0A3Q0KEX1_SCHMA Loading...

Serine/threonine-protein

AlphaFold DB , UniProt , Accession A0A3Q0KEX1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,196 aa.

						>A0A3Q0KEX1_SCHMA|A0A3Q0KEX1
MSKIPRKVVALQSKKKNKQIKKNATKDKSTGNKCNGAVEERLQTQDDSMPKSEQEPTYCEYSRDEEVLEEEEILGSDDDEQEDPRDYCIGGYHPVKIGQVYNSRYHVVRKLGWGHFSTVWLCWDLCSKRFVAMKVVKSAPHYTETALDEIKLLSCVRESAPDDPFRKKTVQLLDDFRVSGVNGNHVCMIFEVLGHNLLKLIIRSQYRGIPLENVRSIIKQTLQGLHYLHTKCHIIHTDIKPENILVCISDSQIRRMAAEALDAQRRGVQLSGSAVSTAPKEKQDNTKMTKSRKRRLKKQQRKQQALLEQELDELEELESQEHERRLLDMGLIPADSEQNHEEPEQVDEKPKRDSEISPEQSYSNEVNTTPPTTDSYNISPSKDCHPTTNNTGSPNASTMPQCKSDTEESKDHTKHEQNKGPTDLSEESDQFVQKDNESGSGLAVRRRVKKLPDHSGAADDKADIPLASVTEPQKTSNTGDRRSVIIQPDGLLAAAAASVMSSTSHSPPESSANDGRAQVKSNFTNSRSNGTEGNEKKLNSESKSTLTANSTGEGSSKRLSLVAPSNNNSASGQSASNKRRSLLFETVIHEPDASKEPCDIEVKIADLGNACWTYRHFTEDIQTRQYRALEVLIGSEYGPPADIWSTACMAFELATGDYLFEPHSGEDYTRDEDHLAHIIELLGPIPRNIALSGKYSREYFDKRACLRHIHRLKPWNLFNVLTEKYDWPPSEAALFTSFLEPMLAYDPNKRASAWDCLQHSWITGQPYSPSVEEGLPNHIPFGVNMPDPLMGDVLSNPSTYYHPHINQPNVVDPANTAGLCYSQHPHLNKQYPTVHCVAPQSRNSRSVNYIPPELSFSGNVNPSEYHLSYGSEMVVGGENMPNRSMCVPDSHFQPWSSKLMGSKRLDVVGNVDGTIKLDPVHVGNFIHSLPDLSPAPSDDDYDEEDDDDDDEDDDDETKEGEEDEDESADDEDPRMHSLHHHHRQHHHHSHYYGHPSNTSSVYQFLDPPHIMPIETSDHSHYTDPLAMAVAAGLPPSKAAILAYAAQALGPDTVWAGLAAAKKRQQQQQQQEQPMSNTEETTSNSLTNNDHVILTTSTGKADDVGTPCNTDSLQQQNKEIDNESHNSGLDVEDVSNYFSTSLEVRSATSSTTEDISNTPDYVNNISDIRNFDSELQRTVSETITHQYTEPTETLTEA
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	29.6	Very low	36.1	Very low	249 Å²	249	118.7 Å²	118.7	100%	1.227	63%	0.627	S	S	*	*				0	138	0	-65.6	165.5	174.4	0	0	105.1
2	S	32.1	Very low	36.2	Very low	79 Å²	79	118.8 Å²	118.8	55%	0.552	62%	0.622	S	S	*	*			cis	-107.1	160.8	19.1	52	0	0	0	0	114.6
3	K	32.5	Very low	36.2	Very low	205 Å²	205	112.1 Å²	112.1	89%	0.891	59%	0.591	S	S	*	*			trans	-135.1	70.7	156.3	-84.6	-170.4	176.5	177.3	0	107.2	P5	K3-P5 WeakPolarHBondContact O-CD 3.21Å
4	I	39.1	Very low	36.5	Very low	134 Å²	134	113 Å²	113	69%	0.687	59%	0.587	S	S	*	*			trans	-83	113.7	169.6	-62.7	173.7	0	0	0	106.3	R6	I4-R6 PolarHBondContact O-N 3.09Å
5	P	39.4	Very low	36.9	Very low	96 Å²	96	113.7 Å²	113.7	62%	0.623	58%	0.584	S	S	*	*			trans	-85.6	99.5	-175.7	-3.6	23	0	0	0	110.2	K3 K7	K3-P5 WeakPolarHBondContact O-CD 3.21Å; P5-K7 HydrophobicContact CB-CB 4.3Å; P5-K7 PolarHBondContact O-N 3.25Å
6	R	42.2	Very low	37.3	Very low	67 Å²	67	114.4 Å²	114.4	25%	0.253	58%	0.582	S	S	.	*			trans	-63.6	18.9	164.6	-65.1	-160.3	-167.1	103.4	12.3	113.8	I4 V8 D657 E661	I4-R6 PolarHBondContact O-N 3.09Å; R6-V8 PolarHBondContact O-N 2.86Å; R6-D657 IonicContact CZ-OD1 3.2Å; R6-D657 IonicContact NH1-OD1 2.81Å; R6-D657 PolarHBondContact NH1-OD1 2.96Å; R6-D657 IonicContact NH2-OD1 2.74Å; R6-D657 PolarHBondContact NH2-OD1 2.97Å; R6-E661 IonicContact CZ-OE1 3.42Å; R6-E661 IonicContact CZ-OE2 2.65Å; R6-E661 VanDerWaalsContact NE-CD 3.33Å; R6-E661 IonicContact NE-OE1 2.99Å; R6-E661 PolarHBondContact NE-OE1 3Å; R6-E661 IonicContact NE-OE2 3.1Å; R6-E661 PolarHBondContact NE-OE2 3.17Å; R6-E661 IonicContact NH2-OE1 2.79Å; R6-E661 PolarHBondContact NH2-OE1 3.08Å; R6-E661 IonicContact NH2-OE2 3.46Å; R6-E661 PolarHBondContact NH2-OE2 2.72Å
7	K	36.8	Very low	37.5	Very low	133 Å²	133	110.3 Å²	110.3	58%	0.578	56%	0.561	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.6	19	-173.6	-119.5	170.9	-178.9	168.7	0	114.2	P5 L11	P5-K7 HydrophobicContact CB-CB 4.3Å; P5-K7 PolarHBondContact O-N 3.25Å; K7-L11 HydrophobicContact CB-CD1 4.35Å; K7-L11 HydrophobicContact CD-CD1 4.29Å; K7-L11 HydrophobicContact CG-CD1 4.11Å
8	V	37.1	Very low	38	Very low	91 Å²	91	113.9 Å²	113.9	55%	0.552	57%	0.572	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.3	-32.6	-167.6	-179.6	0	0	0	0	112.5	R6 Q12	R6-V8 PolarHBondContact O-N 2.86Å; V8-Q12 WeakPolarHBondContact O-CG 3.14Å; V8-Q12 PolarHBondContact O-NE2 3.41Å
9	V	35.7	Very low	38.3	Very low	111 Å²	111	112.7 Å²	112.7	67%	0.673	57%	0.565	S	S	*	*	S	Bend	trans	-77.9	-61.7	-178.5	-175.6	0	0	0	0	111.2	L11 Q12	V9-L11 PolarHBondContact O-N 2.99Å; V9-Q12 PolarHBondContact O-N 3.44Å
10	A	35.9	Very low	38.7	Very low	42 Å²	42	113.2 Å²	113.2	35%	0.347	57%	0.568	S	S	.	*	T	Hydrogen-bonded Turn	trans	-65.6	-13	-170.2	0	0	0	0	0	116.4
11	L	36.4	Very low	38.9	Very low	99 Å²	99	115.9 Å²	115.9	52%	0.518	58%	0.576	S	S	.	*	T	Hydrogen-bonded Turn	trans	-101.7	-10.8	-179	-73.7	174.3	0	0	0	114.5	K7 V9	K7-L11 HydrophobicContact CB-CD1 4.35Å; K7-L11 HydrophobicContact CD-CD1 4.29Å; K7-L11 HydrophobicContact CG-CD1 4.11Å; V9-L11 PolarHBondContact O-N 2.99Å
12	Q	37.9	Very low	39.5	Very low	120 Å²	120	112 Å²	112	56%	0.561	55%	0.552	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.4	-41.2	176.6	-70.9	-172.3	64.3	0	0	111.9	V8 V9 K14 K15 K16	V8-Q12 WeakPolarHBondContact O-CG 3.14Å; V8-Q12 PolarHBondContact O-NE2 3.41Å; V9-Q12 PolarHBondContact O-N 3.44Å; Q12-K14 PolarHBondContact O-N 3.19Å; Q12-K15 PolarHBondContact O-N 3.3Å; Q12-K16 PolarHBondContact O-N 2.95Å; Q12-K16 VanDerWaalsContact O-N 3.11Å
13	S	35.5	Very low	39.9	Very low	31 Å²	31	114.8 Å²	114.8	22%	0.217	56%	0.561	C	S	.	*	H	α-helix	trans	-55.5	-48	177.2	-21.5	0	0	0	0	111.7	K15 K16 N17	S13-K15 PolarHBondContact O-N 3.42Å; S13-K15 VanDerWaalsContact O-N 3.13Å; S13-K16 PolarHBondContact O-N 2.95Å; S13-K16 VanDerWaalsContact O-N 3.14Å; S13-N17 PolarHBondContact O-N 2.8Å
14	K	41.1	Very low	40.2	Very low	125 Å²	125	109.2 Å²	109.2	54%	0.543	55%	0.553	S	S	.	*	H	α-helix	trans	-65	-15.1	178.8	-67.8	-173	175.1	-176.5	0	114.3	Q12 S76	Q12-K14 PolarHBondContact O-N 3.19Å; K14-S76 VanDerWaalsContact CE-OG 3.23Å; K14-S76 WeakPolarHBondContact CE-OG 3.35Å
15	K	42.3	Very low	40.1	Very low	124 Å²	124	108.7 Å²	108.7	54%	0.539	56%	0.556	S	S	.	*	H	α-helix	trans	-92.1	-36.2	170.2	-89.7	179.5	177.4	171	0	113.5	Q12 S13	Q12-K15 PolarHBondContact O-N 3.3Å; S13-K15 PolarHBondContact O-N 3.42Å; S13-K15 VanDerWaalsContact O-N 3.13Å
16	K	42.7	Very low	39.8	Very low	125 Å²	125	114 Å²	114	54%	0.543	57%	0.57	S	S	.	*	H	α-helix	trans	-54.4	-54.7	175.2	-79.4	-178.5	177.9	174.5	0	111.1	Q12 S13 K18 Q19 E80	Q12-K16 PolarHBondContact O-N 2.95Å; Q12-K16 VanDerWaalsContact O-N 3.11Å; S13-K16 PolarHBondContact O-N 2.95Å; S13-K16 VanDerWaalsContact O-N 3.14Å; K16-K18 PolarHBondContact O-N 3.19Å; K16-Q19 PolarHBondContact O-N 3.14Å; K16-E80 IonicContact NZ-OE1 3.94Å; K16-E80 PolarHBondContact NZ-OE1 2.97Å
17	N	41.9	Very low	39.7	Very low	44 Å²	44	118.5 Å²	118.5	24%	0.235	60%	0.598	C	S	.	*	H	α-helix	trans	-71.9	-32.1	-170.3	-115.7	-51.7	0	0	0	114.7	S13 Q19 I20 D78	S13-N17 PolarHBondContact O-N 2.8Å; N17-Q19 PolarHBondContact O-N 3.02Å; N17-I20 PolarHBondContact O-N 3.38Å; N17-D78 HydrophobicContact CB-CB 4.39Å; N17-D78 VanDerWaalsContact CB-OD2 3.27Å; N17-D78 WeakPolarHBondContact CB-OD2 3.49Å; N17-D78 VanDerWaalsContact CG-CG 3.44Å; N17-D78 PolarHBondContact ND2-OD1 3.11Å; N17-D78 PolarHBondContact ND2-OD2 2.94Å
18	K	46.5	Very low	39.7	Very low	175 Å²	175	121.8 Å²	121.8	76%	0.761	61%	0.613	S	S	*	*	H	α-helix	trans	-69.9	-12.2	177.6	-142.7	164.4	-166.9	165.9	0	113.4	K16	K16-K18 PolarHBondContact O-N 3.19Å
19	Q	43.5	Very low	39.3	Very low	91 Å²	91	122.5 Å²	122.5	43%	0.425	62%	0.622	S	S	.	*	H	α-helix	trans	-95.5	-31.1	177.2	-161.6	135.9	25.8	0	0	113	K16 N17 K22	K16-Q19 PolarHBondContact O-N 3.14Å; N17-Q19 PolarHBondContact O-N 3.02Å; Q19-K22 PolarHBondContact O-N 3.37Å
20	I	45.9	Very low	39.2	Very low	122 Å²	122	124.4 Å²	124.4	63%	0.626	63%	0.634	S	S	*	*	H	α-helix	trans	-64.8	-41.3	177.7	-65.4	171.7	0	0	0	111.4	N17 K22	N17-I20 PolarHBondContact O-N 3.38Å; I20-K22 VanDerWaalsContact C-N 3.27Å; I20-K22 PolarHBondContact O-N 3.45Å
21	K	42.9	Very low	39	Very low	170 Å²	170	126 Å²	126	74%	0.739	65%	0.654	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.6	0.5	180	-75.5	173.1	179.3	161.5	0	115.5
22	K	43.2	Very low	39	Very low	168 Å²	168	128.5 Å²	128.5	73%	0.73	67%	0.668	S	S	*	*	T	Hydrogen-bonded Turn	trans	-112.8	-7.3	-178.7	-87.7	-170.6	173.4	-176.3	0	116.6	Q19 I20	Q19-K22 PolarHBondContact O-N 3.37Å; I20-K22 VanDerWaalsContact C-N 3.27Å; I20-K22 PolarHBondContact O-N 3.45Å
23	N	40.3	Very low	38.7	Very low	138 Å²	138	131.8 Å²	131.8	74%	0.738	68%	0.681	S	S	*	*	S	Bend	trans	-97.5	13.5	-178.8	-75.5	5.1	0	0	0	114.5
24	A	38.7	Very low	38.6	Very low	88 Å²	88	136 Å²	136	73%	0.727	71%	0.709	S	S	*	*	S	Bend	trans	-94.7	-4.8	-175.5	0	0	0	0	0	115.3
25	T	37.1	Very low	38.3	Very low	123 Å²	123	137.3 Å²	137.3	76%	0.755	72%	0.722	S	S	*	*	S	Bend	trans	-139.6	52.4	-166.3	43.2	0	0	0	0	114.5
26	K	32.5	Very low	37.9	Very low	208 Å²	208	134.9 Å²	134.9	90%	0.904	73%	0.732	S	S	*	*			trans	-159.1	82.2	159.9	-122.7	171.2	-172.9	178.5	0	113.3
27	D	38.9	Very low	37.5	Very low	160 Å²	160	133.8 Å²	133.8	86%	0.856	75%	0.746	S	S	*	*			trans	-151.7	157.8	161.4	-136	-33.8	0	0	0	112
28	K	37	Very low	37.2	Very low	203 Å²	203	137.3 Å²	137.3	88%	0.883	77%	0.769	S	S	*	*			trans	63.6	94	-175.6	-56.9	-178.7	-177.4	178.4	0	116.3
29	S	30.4	Very low	36.7	Very low	106 Å²	106	137 Å²	137	74%	0.741	77%	0.77	S	S	*	*			trans	-140.3	152.6	154.8	70.7	0	0	0	0	111.7
30	T	32.4	Very low	36.3	Very low	150 Å²	150	138.5 Å²	138.5	92%	0.92	78%	0.778	S	S	*	*			trans	99.8	124.2	178.2	70.6	0	0	0	0	116.9
31	G	32.1	Very low	35.8	Very low	75 Å²	75	142.5 Å²	142.5	77%	0.773	79%	0.785	S	S	*	*			trans	166.8	66.9	-174.8	0	0	0	0	0	115.9
32	N	35.9	Very low	35.4	Very low	152 Å²	152	140 Å²	140	81%	0.813	78%	0.778	S	S	*	*			trans	59.8	96.9	160.2	-67.9	-19.3	0	0	0	122.5
33	K	33	Very low	35	Very low	190 Å²	190	139 Å²	139	83%	0.826	78%	0.776	S	S	*	*				38.2	123.4	115.2	-64.1	178.7	175.8	177.1	0	121.6
34	C	33.1	Very low	34.6	Very low	120 Å²	120	137.7 Å²	137.7	81%	0.811	77%	0.774	S	S	*	*				176.4	146.4	129.1	-89.3	0	0	0	0	108.3
35	N	34.5	Very low	34.4	Very low	151 Å²	151	140.9 Å²	140.9	81%	0.807	77%	0.774	S	S	*	*			cis	177.4	140.7	-21.7	-102.6	2.2	0	0	0	105.8
36	G	32.7	Very low	34.3	Very low	74 Å²	74	140.6 Å²	140.6	76%	0.763	77%	0.768	S	S	*	*			trans	102	115.3	179.5	0	0	0	0	0	113.2
37	A	34.9	Very low	34.6	Very low	101 Å²	101	137.4 Å²	137.4	84%	0.835	76%	0.76	S	S	*	*				78	134.8	52	0	0	0	0	0	111.9
38	V	34.7	Very low	34.4	Very low	119 Å²	119	134.2 Å²	134.2	72%	0.721	75%	0.75	S	S	*	*			cis	-151.5	146	36.7	162.2	0	0	0	0	112.8
39	E	36.4	Very low	34.3	Very low	168 Å²	168	133 Å²	133	79%	0.785	75%	0.75	S	S	*	*			trans	30.5	129.7	149.9	-67.4	160.2	177.8	0	0	122.8
40	E	34.9	Very low	34.6	Very low	123 Å²	123	132.6 Å²	132.6	58%	0.575	75%	0.745	S	S	*	*				86.9	119.3	78.7	-149.3	-159.9	-131.4	0	0	112	L42	E40-L42 HydrophobicContact CG-CD1 4.3Å
41	R	36.2	Very low	34.6	Very low	206 Å²	206	135.1 Å²	135.1	78%	0.777	74%	0.743	S	S	*	*				-163.5	144.2	73.7	-85	179.5	-176	-140	-19.4	110.3
42	L	34.9	Very low	34.7	Very low	116 Å²	116	137.5 Å²	137.5	61%	0.607	75%	0.748	S	S	*	*				61.8	138.9	70.8	-57.2	177	0	0	0	112.3	E40	E40-L42 HydrophobicContact CG-CD1 4.3Å
43	Q	34.9	Very low	34.5	Very low	147 Å²	147	139.1 Å²	139.1	69%	0.687	75%	0.751	S	S	*	*			cis	-168.2	144.1	18.6	-136.5	151.1	-6.7	0	0	112.3
44	T	31.9	Very low	34.5	Very low	111 Å²	111	139.6 Å²	139.6	68%	0.681	76%	0.756	S	S	*	*			trans	53.4	165.8	135.6	55.5	0	0	0	0	121.5
45	Q	34.9	Very low	34.2	Very low	156 Å²	156	142.8 Å²	142.8	73%	0.729	76%	0.759	S	S	*	*			cis	-168.5	173.5	-1.4	-118.7	173.7	-71	0	0	107.7
46	D	34.4	Very low	34.1	Very low	117 Å²	117	140.7 Å²	140.7	63%	0.626	75%	0.753	S	S	*	*			cis	-161.2	-159	-12.6	-148.2	-33.8	0	0	0	108.5
47	D	37.5	Very low	34.2	Very low	141 Å²	141	143.4 Å²	143.4	75%	0.754	76%	0.755	S	S	*	*			trans	83.8	154.7	149.3	-67.1	-37	0	0	0	121.1
48	S	36	Very low	33.9	Very low	92 Å²	92	149 Å²	149	64%	0.643	76%	0.756	S	S	*	*				-169.5	128	-85.2	56.3	0	0	0	0	114.4
49	M	34.2	Very low	33.7	Very low	177 Å²	177	148.5 Å²	148.5	87%	0.872	76%	0.757	S	S	*	*			trans	54	175.6	150.9	-86.8	-179.5	67.8	0	0	121.1
50	P	37.1	Very low	33.4	Very low	98 Å²	98	148.3 Å²	148.3	64%	0.636	76%	0.756	S	S	*	*			cis	-136.9	165.5	-39.6	37.5	-21.3	0	0	0	116.7
51	K	32.5	Very low	33.4	Very low	203 Å²	203	153 Å²	153	88%	0.883	77%	0.771	S	S	*	*			trans	29.3	127.3	144.2	-61.9	-174.5	175.3	-168.8	0	122.8
52	S	34.8	Very low	33.3	Very low	125 Å²	125	149 Å²	149	87%	0.874	77%	0.774	S	S	*	*				-158.8	159.7	127	59.4	0	0	0	0	111.4
53	E	31	Very low	33.3	Very low	186 Å²	186	153.5 Å²	153.5	87%	0.869	78%	0.783	S	S	*	*			trans	-102	148	-166.5	-58.5	143.5	151	0	0	114.3
54	Q	33.6	Very low	33.2	Very low	200 Å²	200	153.7 Å²	153.7	94%	0.935	79%	0.788	S	S	*	*			trans	-175.4	143	141.4	-103.8	158.4	30.3	0	0	111.5
55	E	26.6	Very low	33.5	Very low	187 Å²	187	155.7 Å²	155.7	87%	0.874	79%	0.79	S	S	*	*			trans	-74.4	158.6	173.1	-52.1	-180	115.9	0	0	111.1
56	P	32.4	Very low	33.4	Very low	107 Å²	107	157.1 Å²	157.1	70%	0.695	80%	0.797	S	S	*	*				-151.5	165.1	90.8	40.1	-23.1	0	0	0	116.9
57	T	34.4	Very low	33.4	Very low	131 Å²	131	157.4 Å²	157.4	80%	0.804	80%	0.803	S	S	*	*			trans	52.4	105.6	151.5	50.4	0	0	0	0	119.2
58	Y	27.9	Very low	33.3	Very low	218 Å²	218	158 Å²	158	86%	0.855	81%	0.805	S	S	*	*			trans	-66.4	133.8	164	-171.2	-95.9	0	0	0	111.3	E60	Y58-E60 HydrophobicContact CE1-CG 4.05Å
59	C	31.8	Very low	33.1	Very low	110 Å²	110	162.1 Å²	162.1	74%	0.743	81%	0.814	S	S	*	*			trans	-140.4	135.9	170.1	-166.1	0	0	0	0	107.6	Y61	C59-Y61 PolarHBondContact O-N 2.91Å
60	E	28.6	Very low	33.1	Very low	164 Å²	164	162.6 Å²	162.6	77%	0.766	81%	0.814	S	S	*	*			trans	-68.3	128.7	-167.2	-67.4	170.3	114.4	0	0	112.4	Y58	Y58-E60 HydrophobicContact CE1-CG 4.05Å
61	Y	35.5	Very low	32.8	Very low	222 Å²	222	165.4 Å²	165.4	87%	0.871	82%	0.819	S	S	*	*			trans	-127.5	117.4	161.4	-99.1	-89.7	0	0	0	107.8	C59 R63	C59-Y61 PolarHBondContact O-N 2.91Å; Y61-R63 PolarHBondContact O-N 3.14Å
62	S	34.4	Very low	32.8	Very low	122 Å²	122	164.2 Å²	164.2	85%	0.853	82%	0.816	S	S	*	*			trans	-55.8	126.6	174.1	-48.8	0	0	0	0	109.7
63	R	34.4	Very low	32.7	Very low	209 Å²	209	163.6 Å²	163.6	79%	0.789	80%	0.802	S	S	*	*			trans	-99.4	129.6	165.5	166.1	174.2	-80.1	176.6	-5.1	107.8	Y61 E65	Y61-R63 PolarHBondContact O-N 3.14Å; R63-E65 PolarHBondContact O-N 3.03Å; R63-E65 VanDerWaalsContact O-N 3.17Å
64	D	33.9	Very low	32.7	Very low	151 Å²	151	161 Å²	161	81%	0.807	79%	0.793	S	S	*	*			trans	-66.7	108.4	168.5	-44.9	-82	0	0	0	108.9
65	E	36.7	Very low	32.5	Very low	153 Å²	153	154.8 Å²	154.8	72%	0.715	78%	0.783	S	S	*	*			trans	-90.3	111.2	161	-73.8	-85.2	130.7	0	0	106.5	R63 V67	R63-E65 PolarHBondContact O-N 3.03Å; R63-E65 VanDerWaalsContact O-N 3.17Å; E65-V67 PolarHBondContact O-N 3.21Å
66	E	33.8	Very low	32.9	Very low	186 Å²	186	148 Å²	148	87%	0.869	76%	0.757	S	S	*	*			trans	-67.8	86.6	167.4	-71.2	-178.1	134.5	0	0	108.3	L68	E66-L68 PolarHBondContact O-N 3.18Å
67	V	35.2	Very low	33.4	Very low	124 Å²	124	144.9 Å²	144.9	75%	0.752	73%	0.734	S	S	*	*			trans	-64.8	93.1	167.2	-179.6	0	0	0	0	106.9	E65 E69	E65-V67 PolarHBondContact O-N 3.21Å; V67-E69 PolarHBondContact O-N 3.4Å
68	L	35.2	Very low	34	Very low	152 Å²	152	141.2 Å²	141.2	80%	0.796	71%	0.709	S	S	*	*			trans	-58.9	108.9	164.7	-73.7	168.7	0	0	0	107.1	E66 E70	E66-L68 PolarHBondContact O-N 3.18Å; L68-E70 PolarHBondContact O-N 3.45Å
69	E	31	Very low	35.3	Very low	179 Å²	179	134.2 Å²	134.2	84%	0.836	69%	0.687	S	S	*	*			trans	-58.9	101.8	164.8	-65.2	177	141.7	0	0	106.7	V67 E71	V67-E69 PolarHBondContact O-N 3.4Å; E69-E71 VanDerWaalsContact C-N 3.3Å; E69-E71 PolarHBondContact O-N 3.27Å
70	E	33.5	Very low	37	Very low	188 Å²	188	134.2 Å²	134.2	88%	0.879	68%	0.676	S	S	*	*			trans	-63.4	99	167.5	-73.7	-163.4	143.5	0	0	106.4	L68 E72	L68-E70 PolarHBondContact O-N 3.45Å; E70-E72 PolarHBondContact O-N 3.42Å; E70-E72 VanDerWaalsContact O-N 3.1Å
71	E	32	Very low	39.3	Very low	157 Å²	157	128.9 Å²	128.9	73%	0.734	65%	0.651	S	S	*	*			trans	-45.6	120.9	174.6	-57.3	176.5	108.6	0	0	108.2	E69 I73	E69-E71 VanDerWaalsContact C-N 3.3Å; E69-E71 PolarHBondContact O-N 3.27Å; E71-I73 HydrophobicContact CB-CD1 3.7Å; E71-I73 HydrophobicContact CB-CG1 3.8Å; E71-I73 HydrophobicContact CG-CD1 4.3Å; E71-I73 PolarHBondContact O-N 2.91Å; E71-I73 WeakPolarHBondContact OE2-CD1 3.44Å
72	E	32.6	Very low	41.6	Very low	178 Å²	178	118.3 Å²	118.3	83%	0.832	61%	0.61	S	S	*	*			trans	-75.7	39.6	-176.9	-152.6	173.8	-160.2	0	0	111.6	E70 L74	E70-E72 PolarHBondContact O-N 3.42Å; E70-E72 VanDerWaalsContact O-N 3.1Å; E72-L74 PolarHBondContact O-N 2.89Å
73	I	32.1	Very low	44.1	Very low	111 Å²	111	114.8 Å²	114.8	57%	0.569	58%	0.581	S	S	*	*			trans	-60.7	114.4	174.3	-70.3	170.7	0	0	0	108.5	E71	E71-I73 HydrophobicContact CB-CD1 3.7Å; E71-I73 HydrophobicContact CB-CG1 3.8Å; E71-I73 HydrophobicContact CG-CD1 4.3Å; E71-I73 PolarHBondContact O-N 2.91Å; E71-I73 WeakPolarHBondContact OE2-CD1 3.44Å
74	L	32	Very low	46.7	Very low	131 Å²	131	108 Å²	108	69%	0.686	56%	0.564	S	S	*	*			trans	57.7	83.7	170	-58.3	168.6	0	0	0	112.9	E72 S76	E72-L74 PolarHBondContact O-N 2.89Å; L74-S76 VanDerWaalsContact O-CA 3.3Å; L74-S76 WeakPolarHBondContact O-CA 3.44Å; L74-S76 PolarHBondContact O-N 3.3Å
75	G	29.5	Very low	49.3	Very low	70 Å²	70	110.1 Å²	110.1	72%	0.722	56%	0.561	S	S	*	*	S	Bend	trans	-44.9	107.8	145.4	0	0	0	0	0	108.3	D77	G75-D77 PolarHBondContact O-N 3.15Å
76	S	33.4	Very low	52	Low	46 Å²	46	104.9 Å²	104.9	32%	0.322	54%	0.538	S	S	.	.			trans	-60.9	109	-147.2	60.4	0	0	0	0	113.7	K14 L74 D78	K14-S76 VanDerWaalsContact CE-OG 3.23Å; K14-S76 WeakPolarHBondContact CE-OG 3.35Å; L74-S76 VanDerWaalsContact O-CA 3.3Å; L74-S76 WeakPolarHBondContact O-CA 3.44Å; L74-S76 PolarHBondContact O-N 3.3Å; S76-D78 PolarHBondContact O-N 3.11Å
77	D	43.8	Very low	54.8	Low	40 Å²	40	97.1 Å²	97.1	21%	0.214	50%	0.501	C	S	.	.			trans	-68.9	25.9	172.7	-138	42.1	0	0	0	112.5	G75 D79 K199 S273	G75-D77 PolarHBondContact O-N 3.15Å; D77-D79 PolarHBondContact O-N 3.38Å; D77-D79 VanDerWaalsContact O-N 3.13Å; D77-K199 IonicContact OD1-NZ 2.66Å; D77-S273 VanDerWaalsContact CG-OG 3.29Å; D77-S273 VanDerWaalsContact O-CB 3.28Å; D77-S273 WeakPolarHBondContact O-CB 3.34Å; D77-S273 PolarHBondContact O-OG 3.47Å; D77-S273 WeakPolarHBondContact OD2-CB 3.48Å; D77-S273 PolarHBondContact OD2-OG 2.71Å
78	D	46.1	Very low	57.6	Low	54 Å²	54	94.3 Å²	94.3	29%	0.289	49%	0.486	S	S	.	.			trans	-76.1	40.9	158.4	-83.9	-26.3	0	0	0	109.4	N17 S76	N17-D78 HydrophobicContact CB-CB 4.39Å; N17-D78 VanDerWaalsContact CB-OD2 3.27Å; N17-D78 WeakPolarHBondContact CB-OD2 3.49Å; N17-D78 VanDerWaalsContact CG-CG 3.44Å; N17-D78 PolarHBondContact ND2-OD1 3.11Å; N17-D78 PolarHBondContact ND2-OD2 2.94Å; S76-D78 PolarHBondContact O-N 3.11Å
79	D	55.8	Low	60.4	Low	72 Å²	72	94 Å²	94	39%	0.385	48%	0.483	S	S	.	.			trans	-53.2	147.4	160.8	-79.7	-21	0	0	0	107.9	D77 Q81 K199	D77-D79 PolarHBondContact O-N 3.38Å; D77-D79 VanDerWaalsContact O-N 3.13Å; D79-Q81 PolarHBondContact O-N 2.94Å; D79-Q81 PolarHBondContact O-NE2 2.93Å; D79-K199 IonicContact OD1-NZ 3.2Å; D79-K199 IonicContact OD2-NZ 2.98Å; D79-K199 PolarHBondContact OD2-NZ 2.95Å
80	E	66.6	Low	63.3	Low	110 Å²	110	86.3 Å²	86.3	51%	0.514	45%	0.452	S	S	.	.			trans	-55.7	146.1	172.9	-55.8	-151.5	123.7	0	0	109.1	K16 W113	K16-E80 IonicContact NZ-OE1 3.94Å; K16-E80 PolarHBondContact NZ-OE1 2.97Å; E80-W113 HydrophobicContact CB-CZ2 4.47Å; E80-W113 VanDerWaalsContact O-CE2 3.27Å; E80-W113 VanDerWaalsContact O-CZ2 3.31Å; E80-W113 WeakPolarHBondContact O-CZ2 3.31Å; E80-W113 PolarHBondContact O-NE1 2.83Å
81	Q	77.8	Confident	66.3	Low	51 Å²	51	77.6 Å²	77.6	24%	0.238	41%	0.413	C	S	.	.			trans	-108.7	156.8	-178.4	-62	-58.1	-66.4	0	0	110.6	D79 D83 W113 G272 T277	D79-Q81 PolarHBondContact O-N 2.94Å; D79-Q81 PolarHBondContact O-NE2 2.93Å; Q81-D83 PolarHBondContact O-N 3.28Å; Q81-W113 VanDerWaalsContact C-CE2 3.48Å; Q81-G272 PolarHBondContact OE1-O 3.31Å; Q81-T277 HydrophobicContact CB-CG2 3.49Å; Q81-T277 VanDerWaalsContact CB-CG2 3.49Å; Q81-T277 HydrophobicContact CG-CG2 4.03Å
82	E	84.5	Confident	69.3	Low	0 Å²	0	70.2 Å²	70.2	0%	0	38%	0.378	C	S	.	.			trans	-53.9	134.7	173.2	74.7	-74.9	-165.3	0	0	110.3	P84 Y87 Y92 K110 W113 S276 T277	E82-P84 WeakPolarHBondContact O-CD 3.35Å; E82-Y87 HydrophobicContact CG-CE2 3.6Å; E82-Y87 PolarHBondContact OE1-OH 3.23Å; E82-Y92 HydrophobicContact CB-CD2 4.22Å; E82-Y92 HydrophobicContact CB-CE2 3.65Å; E82-Y92 HydrophobicContact CG-CD2 4.26Å; E82-Y92 HydrophobicContact CG-CE2 4.19Å; E82-K110 IonicContact OE1-NZ 3.64Å; E82-K110 PolarHBondContact OE1-NZ 2.7Å; E82-K110 IonicContact OE2-NZ 3.34Å; E82-K110 PolarHBondContact OE2-NZ 3.11Å; E82-W113 HydrophobicContact CB-CD2 3.72Å; E82-W113 HydrophobicContact CB-CE3 3.51Å; E82-W113 HydrophobicContact CB-CG 4.19Å; E82-W113 HydrophobicContact CB-CZ3 4.02Å; E82-W113 VanDerWaalsContact N-CE2 3.26Å; E82-S276 WeakPolarHBondContact OE1-CA 3.2Å; E82-T277 VanDerWaalsContact CD-OG1 3.28Å; E82-T277 WeakPolarHBondContact CG-OG1 3.38Å; E82-T277 PolarHBondContact O-OG1 2.83Å; E82-T277 PolarHBondContact OE1-N 3.23Å; E82-T277 PolarHBondContact OE1-OG1 3.17Å
83	D	85.9	Confident	72.3	Confident	48 Å²	48	62.5 Å²	62.5	26%	0.257	34%	0.342	S	S	.	.			trans	-62.3	124.2	-175.6	-165.3	-41.8	0	0	0	109.8	Q81 R85 D86	Q81-D83 PolarHBondContact O-N 3.28Å; D83-R85 PolarHBondContact O-N 2.87Å; D83-R85 WeakPolarHBondContact OD1-CB 3.31Å; D83-R85 WeakPolarHBondContact OD1-CG 3.29Å; D83-R85 PolarHBondContact OD1-N 3.21Å; D83-R85 IonicContact OD1-NE 2.67Å; D83-R85 PolarHBondContact OD1-NE 3.42Å; D83-R85 VanDerWaalsContact OD1-NE 3.11Å; D83-R85 IonicContact OD2-CZ 2.76Å; D83-R85 IonicContact OD2-NE 3.38Å; D83-R85 PolarHBondContact OD2-NE 3.03Å; D83-R85 IonicContact OD2-NH2 3.51Å; D83-R85 PolarHBondContact OD2-NH2 2.82Å; D83-D86 WeakPolarHBondContact O-CB 3.18Å; D83-D86 PolarHBondContact O-N 2.93Å
84	P	88.9	Confident	75.3	Confident	67 Å²	67	58.2 Å²	58.2	44%	0.435	32%	0.322	S	S	.	.	G	3₁₀ helix	trans	-57.4	-18.4	176	-25.4	35	0	0	0	114.1	E82 P279	E82-P84 WeakPolarHBondContact O-CD 3.35Å; P84-P279 HydrophobicContact CB-CG 4.38Å
85	R	89.5	Confident	78.3	Confident	195 Å²	195	52.1 Å²	52.1	74%	0.736	29%	0.29	S	S	*	.	G	3₁₀ helix	trans	-71.1	-30.2	173.3	-61.7	178.7	-70	171.6	3.2	112.9	D83 Y87	D83-R85 PolarHBondContact O-N 2.87Å; D83-R85 WeakPolarHBondContact OD1-CB 3.31Å; D83-R85 WeakPolarHBondContact OD1-CG 3.29Å; D83-R85 PolarHBondContact OD1-N 3.21Å; D83-R85 IonicContact OD1-NE 2.67Å; D83-R85 PolarHBondContact OD1-NE 3.42Å; D83-R85 VanDerWaalsContact OD1-NE 3.11Å; D83-R85 IonicContact OD2-CZ 2.76Å; D83-R85 IonicContact OD2-NE 3.38Å; D83-R85 PolarHBondContact OD2-NE 3.03Å; D83-R85 IonicContact OD2-NH2 3.51Å; D83-R85 PolarHBondContact OD2-NH2 2.82Å; R85-Y87 PolarHBondContact O-N 2.92Å
86	D	92.1	Very high	81.3	Confident	44 Å²	44	53 Å²	53	24%	0.235	27%	0.274	C	S	.	.	G	3₁₀ helix	trans	-74	-0.9	179.2	-77.8	13.8	0	0	0	113	D83 C88 G91 Y92 K137	D83-D86 WeakPolarHBondContact O-CB 3.18Å; D83-D86 PolarHBondContact O-N 2.93Å; D86-C88 PolarHBondContact O-N 2.88Å; D86-C88 VanDerWaalsContact O-N 3.1Å; D86-G91 CarbonylContact O-C 3.54Å; D86-G91 WeakPolarHBondContact O-CA 3.46Å; D86-Y92 HydrophobicContact CB-CD2 3.36Å; D86-Y92 HydrophobicContact CB-CE2 3.33Å; D86-Y92 PolarHBondContact O-N 3.36Å; D86-Y92 WeakPolarHBondContact OD2-CE2 3.43Å; D86-K137 WeakPolarHBondContact OD2-CE 3.47Å; D86-K137 IonicContact OD2-NZ 2.68Å; D86-K137 PolarHBondContact OD2-NZ 3.25Å
87	Y	93.9	Very high	84.1	Confident	23 Å²	23	52.7 Å²	52.7	9%	0.09	27%	0.268	C	S	.	.	S	Bend	trans	-82.2	39	170.8	-80.3	-74.7	0	0	0	112.8	E82 R85 Y92 H93 P94 N182 S276 A278	E82-Y87 HydrophobicContact CG-CE2 3.6Å; E82-Y87 PolarHBondContact OE1-OH 3.23Å; R85-Y87 PolarHBondContact O-N 2.92Å; Y87-Y92 WeakPolarHBondContact CD1-O 3.49Å; Y87-Y92 HydrophobicContact CE1-CG 4.44Å; Y87-Y92 HydrophobicContact CE2-CD2 4.44Å; Y87-H93 WeakPolarHBondContact CE1-O 3.3Å; Y87-P94 HydrophobicContact CD1-CB 4.14Å; Y87-P94 HydrophobicContact CE1-CB 4.25Å; Y87-N182 PolarHBondContact O-ND2 3.37Å; Y87-N182 PolarHBondContact O-OD1 2.97Å; Y87-S276 PolarHBondContact OH-OG 3.46Å; Y87-A278 HydrophobicContact CD1-CB 3.83Å; Y87-A278 VanDerWaalsContact CD2-CA 3.5Å; Y87-A278 HydrophobicContact CD2-CB 3.99Å; Y87-A278 HydrophobicContact CE1-CB 3.83Å; Y87-A278 HydrophobicContact CE2-CB 3.93Å; Y87-A278 HydrophobicContact CG-CB 3.92Å
88	C	92.8	Very high	86.2	Confident	64 Å²	64	51.5 Å²	51.5	43%	0.432	27%	0.266	S	S	.	.	S	Bend	trans	-103.6	176.4	177.5	64.1	0	0	0	0	112.3	D86 G90 G91 N182	D86-C88 PolarHBondContact O-N 2.88Å; D86-C88 VanDerWaalsContact O-N 3.1Å; C88-G90 PolarHBondContact O-N 2.98Å; C88-G91 WeakPolarHBondContact O-CA 3.5Å; C88-G91 PolarHBondContact O-N 3.38Å; C88-N182 VanDerWaalsContact C-CG 3.41Å; C88-N182 WeakPolarHBondContact O-CB 3.38Å; C88-N182 PolarHBondContact O-ND2 2.52Å; C88-N182 PolarHBondContact O-OD1 3.39Å
89	I	93.8	Very high	88.5	Confident	146 Å²	146	51.8 Å²	51.8	75%	0.749	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.3	131.5	174.6	-60.9	173.3	0	0	0	109.8	G91	I89-G91 PolarHBondContact O-N 3.1Å
90	G	93.5	Very high	90.3	Very high	18 Å²	18	49.9 Å²	49.9	19%	0.186	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	82.3	-11.8	-170.4	0	0	0	0	0	114.5	C88 S138 A139 N182	C88-G90 PolarHBondContact O-N 2.98Å; G90-S138 VanDerWaalsContact C-OG 3.29Å; G90-S138 VanDerWaalsContact CA-OG 3.23Å; G90-S138 WeakPolarHBondContact CA-OG 3.35Å; G90-S138 PolarHBondContact N-OG 3.48Å; G90-S138 PolarHBondContact O-N 3.14Å; G90-A139 WeakPolarHBondContact O-CB 3.49Å; G90-A139 PolarHBondContact O-N 3.5Å; G90-N182 PolarHBondContact N-O 2.84Å
91	G	95.3	Very high	91.7	Very high	5 Å²	5	45.1 Å²	45.1	5%	0.052	23%	0.234	C	C	.	.	S	Bend	trans	-91	-152.2	-179.6	0	0	0	0	0	114.4	D86 C88 I89 K137 S138 H185	D86-G91 CarbonylContact O-C 3.54Å; D86-G91 WeakPolarHBondContact O-CA 3.46Å; C88-G91 WeakPolarHBondContact O-CA 3.5Å; C88-G91 PolarHBondContact O-N 3.38Å; I89-G91 PolarHBondContact O-N 3.1Å; G91-K137 VanDerWaalsContact O-CA 3.27Å; G91-K137 WeakPolarHBondContact O-CA 3.27Å; G91-S138 PolarHBondContact O-N 2.81Å; G91-S138 VanDerWaalsContact O-N 3.11Å; G91-S138 PolarHBondContact O-OG 2.82Å; G91-H185 PolarHBondContact O-CE1 2.83Å; G91-H185 VanDerWaalsContact O-CE1 3.31Å
92	Y	96.1	Very high	92.5	Very high	1 Å²	1	46.8 Å²	46.8	0%	0.004	24%	0.244	C	C	.	.			trans	-72.3	153.3	-173.7	-63.6	-68.9	0	0	0	113.3	E82 D86 Y87 G114 H115 T118 K137 N182	E82-Y92 HydrophobicContact CB-CD2 4.22Å; E82-Y92 HydrophobicContact CB-CE2 3.65Å; E82-Y92 HydrophobicContact CG-CD2 4.26Å; E82-Y92 HydrophobicContact CG-CE2 4.19Å; D86-Y92 HydrophobicContact CB-CD2 3.36Å; D86-Y92 HydrophobicContact CB-CE2 3.33Å; D86-Y92 PolarHBondContact O-N 3.36Å; D86-Y92 WeakPolarHBondContact OD2-CE2 3.43Å; Y87-Y92 WeakPolarHBondContact CD1-O 3.49Å; Y87-Y92 HydrophobicContact CE1-CG 4.44Å; Y87-Y92 HydrophobicContact CE2-CD2 4.44Å; Y92-G114 PolarHBondContact OH-O 2.82Å; Y92-G114 VanDerWaalsContact OH-O 3.08Å; Y92-H115 WeakPolarHBondContact OH-CA 3.39Å; Y92-H115 PolarHBondContact OH-O 2.85Å; Y92-T118 HydrophobicContact CD1-CG2 3.89Å; Y92-T118 HydrophobicContact CE1-CG2 4.18Å; Y92-T118 HydrophobicContact CG-CG2 4.45Å; Y92-K137 HydrophobicContact CD1-CD 4.41Å; Y92-K137 HydrophobicContact CD1-CG 3.68Å; Y92-K137 HydrophobicContact CE1-CD 4.27Å; Y92-K137 HydrophobicContact CE1-CG 3.93Å; Y92-K137 VanDerWaalsContact CE2-CE 3.48Å; Y92-K137 HydrophobicContact CG-CG 4.18Å; Y92-N182 PolarHBondContact O-ND2 3.04Å
93	H	95.7	Very high	92.9	Very high	17 Å²	17	52.3 Å²	52.3	8%	0.079	28%	0.283	C	S	.	.			trans	-83.4	126.7	171.2	-169.8	66.6	0	0	0	111.6	Y87 V95 Y101 V135 V178 G180 H185	Y87-H93 WeakPolarHBondContact CE1-O 3.3Å; H93-V95 VanDerWaalsContact C-N 3.27Å; H93-V95 PolarHBondContact O-N 2.85Å; H93-Y101 PolarHBondContact CD2-OH 3.18Å; H93-V135 HydrophobicContact CB-CG1 3.66Å; H93-V178 WeakPolarHBondContact NE2-CG1 3.45Å; H93-G180 WeakPolarHBondContact CE1-CA 3.2Å; H93-G180 WeakPolarHBondContact NE2-CA 3.38Å; H93-H185 HydrophobicContact CB-CB 4.48Å; H93-H185 AromaticContact CE1-CD2 2.49Å; H93-H185 PolarHBondContact CE1-CD2 3.22Å; H93-H185 AromaticContact CE1-CE1 3.44Å; H93-H185 PolarHBondContact CE1-CE1 3.24Å; H93-H185 VanDerWaalsContact CE1-CE1 3.44Å; H93-H185 AromaticContact CE1-CG 3.51Å; H93-H185 AromaticContact CE1-ND1 3.98Å; H93-H185 AromaticContact CE1-NE2 2.41Å; H93-H185 PolarHBondContact CE1-NE2 2.88Å; H93-H185 AromaticContact CG-CD2 3.75Å; H93-H185 AromaticContact CG-NE2 3.86Å; H93-H185 PolarHBondContact N-CE1 2.84Å; H93-H185 AromaticContact ND1-CD2 3.23Å; H93-H185 PolarHBondContact ND1-CD2 3.29Å; H93-H185 AromaticContact ND1-NE2 3.32Å; H93-H185 PolarHBondContact ND1-NE2 3.01Å
94	P	94.8	Very high	93.4	Very high	20 Å²	20	53 Å²	53	13%	0.13	28%	0.282	C	S	.	.			trans	-75.7	74.3	179.3	31.3	-36	0	0	0	112.3	Y87 V181 A278	Y87-P94 HydrophobicContact CD1-CB 4.14Å; Y87-P94 HydrophobicContact CE1-CB 4.25Å; P94-V181 HydrophobicContact CG-CG2 3.85Å; P94-A278 HydrophobicContact CB-CB 3.74Å
95	V	94.8	Very high	93.8	Very high	4 Å²	4	49.9 Å²	49.9	2%	0.024	26%	0.261	C	S	.	.			trans	-62.9	135.3	176.5	177.8	0	0	0	0	110.9	H93 Y101 V107 W120 M133 V135	H93-V95 VanDerWaalsContact C-N 3.27Å; H93-V95 PolarHBondContact O-N 2.85Å; V95-Y101 HydrophobicContact CG1-CE2 4.13Å; V95-V107 HydrophobicContact CG1-CG1 4.08Å; V95-V107 HydrophobicContact CG1-CG2 4.05Å; V95-W120 HydrophobicContact CB-CD2 4.09Å; V95-W120 HydrophobicContact CB-CH2 4.02Å; V95-W120 HydrophobicContact CB-CZ2 3.56Å; V95-W120 HydrophobicContact CB-CZ3 4.48Å; V95-W120 HydrophobicContact CG1-CD2 3.54Å; V95-W120 HydrophobicContact CG1-CE3 3.75Å; V95-W120 HydrophobicContact CG1-CG 4.08Å; V95-W120 HydrophobicContact CG1-CH2 4.03Å; V95-W120 HydrophobicContact CG1-CZ2 3.87Å; V95-W120 HydrophobicContact CG1-CZ3 3.97Å; V95-W120 HydrophobicContact CG2-CZ2 4.32Å; V95-M133 HydrophobicContact CG1-CE 4.5Å; V95-V135 HydrophobicContact CG2-CG2 4.2Å
96	K	92	Very high	94.1	Very high	87 Å²	87	40.8 Å²	40.8	38%	0.378	23%	0.227	S	C	.	.			trans	-119.6	133.2	-179	-65.9	161.7	-165.3	173.3	0	109.8	Q99 E281	K96-Q99 WeakPolarHBondContact O-CB 3.43Å; K96-Q99 PolarHBondContact O-N 3.29Å; K96-Q99 VanDerWaalsContact O-N 3.13Å; K96-E281 IonicContact NZ-OE1 3.05Å; K96-E281 PolarHBondContact NZ-OE1 2.8Å; K96-E281 IonicContact NZ-OE2 3.92Å; K96-E281 PolarHBondContact NZ-OE2 2.94Å
97	I	91.4	Very high	94.3	Very high	40 Å²	40	38.8 Å²	38.8	21%	0.205	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.2	140.6	177.9	-44.9	178.5	0	0	0	109.6	Q99 V107 V108 W120 L270 V275	I97-Q99 VanDerWaalsContact C-N 3.29Å; I97-V107 HydrophobicContact CG1-CG1 4.49Å; I97-V107 HydrophobicContact CG2-CG1 4.38Å; I97-V107 WeakPolarHBondContact CG2-O 3.34Å; I97-V108 VanDerWaalsContact CG2-C 3.49Å; I97-V108 WeakPolarHBondContact CG2-O 3.37Å; I97-W120 HydrophobicContact CG1-CZ3 4.04Å; I97-L270 HydrophobicContact CD1-CD1 3.7Å; I97-V275 HydrophobicContact CD1-CG1 3.98Å
98	G	89.9	Confident	94.3	Very high	16 Å²	16	37.8 Å²	37.8	17%	0.165	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	77.1	11.9	-169.5	0	0	0	0	0	114.2	V107	G98-V107 PolarHBondContact N-O 3.27Å
99	Q	92.9	Very high	94.3	Very high	60 Å²	60	36.7 Å²	36.7	28%	0.28	20%	0.2	S	C	.	.			trans	-85.6	148.2	165.8	-173.3	163.3	-27.8	0	0	109.9	K96 I97 Y101 V107	K96-Q99 WeakPolarHBondContact O-CB 3.43Å; K96-Q99 PolarHBondContact O-N 3.29Å; K96-Q99 VanDerWaalsContact O-N 3.13Å; I97-Q99 VanDerWaalsContact C-N 3.29Å; Q99-Y101 HydrophobicContact CB-CE2 4.01Å; Q99-Y101 HydrophobicContact CG-CD2 4.15Å; Q99-Y101 HydrophobicContact CG-CE2 3.67Å; Q99-Y101 PolarHBondContact NE2-OH 2.98Å; Q99-Y101 VanDerWaalsContact NE2-OH 3.1Å; Q99-V107 PolarHBondContact O-N 3.24Å
100	V	94.5	Very high	94.4	Very high	32 Å²	32	29.7 Å²	29.7	19%	0.194	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	129	171.6	-178.6	0	0	0	0	109.2	Y105 H106 L125	V100-Y105 CarbonylContact C-O 3.49Å; V100-Y105 VanDerWaalsContact CA-O 3.27Å; V100-Y105 WeakPolarHBondContact CA-O 3.31Å; V100-H106 HydrophobicContact CG2-CB 4.02Å; V100-L125 HydrophobicContact CG1-CD1 4.15Å
101	Y	96.1	Very high	94.3	Very high	9 Å²	9	31.2 Å²	31.2	4%	0.035	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	150.1	175.9	-71.2	-90.5	0	0	0	111	H93 V95 Q99 S103 R104 Y105 V107 M133 V178	H93-Y101 PolarHBondContact CD2-OH 3.18Å; V95-Y101 HydrophobicContact CG1-CE2 4.13Å; Q99-Y101 HydrophobicContact CB-CE2 4.01Å; Q99-Y101 HydrophobicContact CG-CD2 4.15Å; Q99-Y101 HydrophobicContact CG-CE2 3.67Å; Q99-Y101 PolarHBondContact NE2-OH 2.98Å; Q99-Y101 VanDerWaalsContact NE2-OH 3.1Å; Y101-S103 PolarHBondContact O-N 3.15Å; Y101-R104 PolarHBondContact O-N 3.07Å; Y101-Y105 PolarHBondContact N-O 3.17Å; Y101-Y105 PolarHBondContact O-N 2.97Å; Y101-V107 HydrophobicContact CD2-CG2 3.78Å; Y101-V107 HydrophobicContact CE2-CG2 3.73Å; Y101-M133 HydrophobicContact CD2-CE 3.79Å; Y101-M133 HydrophobicContact CD2-SD 4.17Å; Y101-M133 HydrophobicContact CE2-CE 3.97Å; Y101-M133 HydrophobicContact CG-CE 4.34Å; Y101-M133 HydrophobicContact CG-SD 4.19Å; Y101-V178 HydrophobicContact CD1-CG1 4.29Å; Y101-V178 HydrophobicContact CD1-CG2 3.73Å; Y101-V178 HydrophobicContact CE1-CG1 3.92Å; Y101-V178 HydrophobicContact CE1-CG2 4.1Å
102	N	95	Very high	94.1	Very high	87 Å²	87	32.2 Å²	32.2	47%	0.465	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	45.6	30.8	-174.4	-154	17.7	0	0	0	114.8	R104 Y105 F176	N102-R104 WeakPolarHBondContact O-CB 3.41Å; N102-R104 PolarHBondContact O-N 3.46Å; N102-Y105 HydrophobicContact CB-CD2 4.26Å; N102-F176 HydrophobicContact CB-CD1 3.89Å; N102-F176 HydrophobicContact CB-CD2 4.08Å; N102-F176 HydrophobicContact CB-CE1 3.9Å; N102-F176 HydrophobicContact CB-CE2 4.1Å; N102-F176 HydrophobicContact CB-CG 3.99Å; N102-F176 HydrophobicContact CB-CZ 4.02Å
103	S	93	Very high	93.8	Very high	116 Å²	116	36.3 Å²	36.3	81%	0.811	19%	0.193	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.4	8.3	-169.6	-60.4	0	0	0	0	116.4	Y101	Y101-S103 PolarHBondContact O-N 3.15Å
104	R	95.9	Very high	93.4	Very high	62 Å²	62	36.9 Å²	36.9	23%	0.234	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-127.9	-39.4	-163.6	177.6	175.6	176.8	-169.1	2.3	113.4	Y101 N102 D124 L125 C126 D174	Y101-R104 PolarHBondContact O-N 3.07Å; N102-R104 WeakPolarHBondContact O-CB 3.41Å; N102-R104 PolarHBondContact O-N 3.46Å; R104-D124 WeakPolarHBondContact CG-OD1 3.45Å; R104-D124 IonicContact CZ-OD1 2.7Å; R104-D124 IonicContact CZ-OD2 2.75Å; R104-D124 VanDerWaalsContact CZ-OD2 3.3Å; R104-D124 VanDerWaalsContact NE-CG 3.32Å; R104-D124 IonicContact NE-OD1 3.14Å; R104-D124 PolarHBondContact NE-OD1 3.45Å; R104-D124 IonicContact NE-OD2 3.78Å; R104-D124 PolarHBondContact NE-OD2 2.93Å; R104-D124 IonicContact NH2-OD1 2.67Å; R104-D124 IonicContact NH2-OD2 2.79Å; R104-D124 PolarHBondContact NH2-OD2 3.14Å; R104-L125 VanDerWaalsContact O-CB 3.31Å; R104-L125 WeakPolarHBondContact O-CB 3.34Å; R104-L125 VanDerWaalsContact O-CG 3.31Å; R104-L125 WeakPolarHBondContact O-CG 3.4Å; R104-L125 PolarHBondContact O-N 2.9Å; R104-C126 HydrophobicContact CG-CB 4.23Å; R104-D174 IonicContact CZ-OD2 2.67Å; R104-D174 IonicContact NH1-OD2 2.66Å; R104-D174 PolarHBondContact NH1-OD2 3.27Å
105	Y	97.6	Very high	93	Very high	1 Å²	1	40.6 Å²	40.6	0%	0.004	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	105.5	-169	-62.9	-64.6	0	0	0	112.4	V100 Y101 N102 W123 D124 V131 D174 F176 I189	V100-Y105 CarbonylContact C-O 3.49Å; V100-Y105 VanDerWaalsContact CA-O 3.27Å; V100-Y105 WeakPolarHBondContact CA-O 3.31Å; Y101-Y105 PolarHBondContact N-O 3.17Å; Y101-Y105 PolarHBondContact O-N 2.97Å; N102-Y105 HydrophobicContact CB-CD2 4.26Å; Y105-W123 WeakPolarHBondContact CA-O 3.23Å; Y105-D124 HydrophobicContact CD1-CB 4.12Å; Y105-D124 HydrophobicContact CE1-CB 3.81Å; Y105-V131 HydrophobicContact CD1-CG2 3.63Å; Y105-V131 HydrophobicContact CE1-CG2 3.73Å; Y105-D174 HydrophobicContact CE2-CB 4.41Å; Y105-D174 WeakPolarHBondContact CE2-OD2 3.29Å; Y105-D174 WeakPolarHBondContact OH-CB 3.49Å; Y105-D174 PolarHBondContact OH-OD2 2.99Å; Y105-D174 VanDerWaalsContact OH-OD2 3.04Å; Y105-F176 AromaticContact CD2-CE1 3.59Å; Y105-F176 HydrophobicContact CD2-CE1 3.59Å; Y105-F176 HydrophobicContact CD2-CZ 4Å; Y105-F176 HydrophobicContact CE2-CD1 4.41Å; Y105-F176 AromaticContact CE2-CE1 3.71Å; Y105-F176 HydrophobicContact CE2-CE1 3.71Å; Y105-I189 HydrophobicContact CD1-CD1 4.33Å; Y105-I189 HydrophobicContact CD2-CD1 3.96Å; Y105-I189 HydrophobicContact CD2-CG1 4.2Å; Y105-I189 HydrophobicContact CE1-CD1 4.36Å; Y105-I189 HydrophobicContact CE1-CG1 4.3Å; Y105-I189 HydrophobicContact CE1-CG2 3.84Å; Y105-I189 HydrophobicContact CE2-CD1 3.99Å; Y105-I189 HydrophobicContact CE2-CG1 3.7Å; Y105-I189 HydrophobicContact CG-CD1 4.11Å
106	H	94.8	Very high	92.8	Very high	5 Å²	5	46 Å²	46	2%	0.023	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	116.3	-178.2	-173.7	-144.1	0	0	0	111	V100 V108 C122 W123 L307	V100-H106 HydrophobicContact CG2-CB 4.02Å; H106-V108 PolarHBondContact O-N 2.79Å; H106-C122 CarbonylContact O-C 3.54Å; H106-C122 VanDerWaalsContact O-CA 3.27Å; H106-C122 WeakPolarHBondContact O-CA 3.47Å; H106-W123 PolarHBondContact N-O 3.02Å; H106-W123 PolarHBondContact O-N 3.24Å; H106-L307 VanDerWaalsContact ND1-CD2 3.32Å; H106-L307 WeakPolarHBondContact ND1-CD2 3.3Å
107	V	96.4	Very high	93	Very high	2 Å²	2	42.5 Å²	42.5	1%	0.012	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	124.8	-173.3	-177.2	0	0	0	0	111.8	V95 I97 G98 Q99 Y101 W120 M133	V95-V107 HydrophobicContact CG1-CG1 4.08Å; V95-V107 HydrophobicContact CG1-CG2 4.05Å; I97-V107 HydrophobicContact CG1-CG1 4.49Å; I97-V107 HydrophobicContact CG2-CG1 4.38Å; I97-V107 WeakPolarHBondContact CG2-O 3.34Å; G98-V107 PolarHBondContact N-O 3.27Å; Q99-V107 PolarHBondContact O-N 3.24Å; Y101-V107 HydrophobicContact CD2-CG2 3.78Å; Y101-V107 HydrophobicContact CE2-CG2 3.73Å; V107-W120 HydrophobicContact CG1-CB 4.46Å; V107-W120 HydrophobicContact CG1-CD2 4.28Å; V107-W120 HydrophobicContact CG1-CE3 3.51Å; V107-W120 HydrophobicContact CG1-CZ3 4.16Å; V107-M133 HydrophobicContact CG2-CE 3.93Å
108	V	93.9	Very high	93.2	Very high	1 Å²	1	40.6 Å²	40.6	1%	0.006	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	-47.7	-175.8	-178.9	0	0	0	0	112.6	I97 H106 L121 W123 F130 A257 A260 L307	I97-V108 VanDerWaalsContact CG2-C 3.49Å; I97-V108 WeakPolarHBondContact CG2-O 3.37Å; H106-V108 PolarHBondContact O-N 2.79Å; V108-L121 HydrophobicContact CB-CB 4.48Å; V108-L121 HydrophobicContact CB-CD2 4.27Å; V108-L121 HydrophobicContact CB-CG 4.22Å; V108-L121 WeakPolarHBondContact CB-O 3.27Å; V108-L121 HydrophobicContact CG1-CD2 4.12Å; V108-L121 PolarHBondContact N-O 3.47Å; V108-W123 HydrophobicContact CG2-CB 4.37Å; V108-F130 HydrophobicContact CG2-CE1 4.29Å; V108-A257 HydrophobicContact CG1-CB 4.06Å; V108-A260 HydrophobicContact CG1-CB 3.94Å; V108-L307 HydrophobicContact CG2-CD2 3.96Å
109	R	94.1	Very high	93.5	Very high	41 Å²	41	41.7 Å²	41.7	16%	0.155	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.7	165.9	170.5	70.4	175.1	-159.9	102.8	-21.7	111.3	W120 L121 M256 A260	R109-W120 CarbonylContact O-C 3.16Å; R109-L121 HydrophobicContact CG-CB 3.93Å; R109-L121 HydrophobicContact CG-CD2 4.09Å; R109-L121 PolarHBondContact N-O 3.31Å; R109-L121 PolarHBondContact O-N 2.76Å; R109-M256 PolarHBondContact NH2-SD 3.34Å; R109-A260 HydrophobicContact CB-CB 4.13Å
110	K	94.3	Very high	93.7	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	142.2	163	-171.6	177.2	160.5	-164	0	109.4	E82 W120 S273 A274 V275	E82-K110 IonicContact OE1-NZ 3.64Å; E82-K110 PolarHBondContact OE1-NZ 2.7Å; E82-K110 IonicContact OE2-NZ 3.34Å; E82-K110 PolarHBondContact OE2-NZ 3.11Å; K110-W120 HydrophobicContact CB-CD2 4.12Å; K110-W120 HydrophobicContact CB-CE3 3.74Å; K110-W120 HydrophobicContact CB-CH2 3.82Å; K110-W120 HydrophobicContact CB-CZ2 4.15Å; K110-W120 HydrophobicContact CB-CZ3 3.6Å; K110-W120 HydrophobicContact CD-CH2 4.12Å; K110-W120 HydrophobicContact CD-CZ2 4Å; K110-W120 HydrophobicContact CG-CD2 4.33Å; K110-W120 HydrophobicContact CG-CE3 4.43Å; K110-W120 HydrophobicContact CG-CH2 4.2Å; K110-W120 HydrophobicContact CG-CZ2 4.05Å; K110-W120 HydrophobicContact CG-CZ3 4.39Å; K110-S273 WeakPolarHBondContact CB-O 3.42Å; K110-S273 VanDerWaalsContact CD-O 3.26Å; K110-S273 WeakPolarHBondContact CD-O 3.44Å; K110-S273 WeakPolarHBondContact CG-O 3.37Å; K110-A274 VanDerWaalsContact CB-C 3.48Å; K110-A274 WeakPolarHBondContact CB-O 3.34Å; K110-A274 PolarHBondContact N-O 2.97Å; K110-V275 WeakPolarHBondContact CD-O 3.42Å; K110-V275 PolarHBondContact NZ-O 2.49Å; K110-V275 VanDerWaalsContact NZ-O 3.16Å
111	L	92.6	Very high	93.9	Very high	50 Å²	50	37.3 Å²	37.3	26%	0.262	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	-35.6	174.8	-71.9	170.4	0	0	0	111.6	V119 L121 A132 V192	L111-V119 HydrophobicContact CB-CG1 4.33Å; L111-V119 HydrophobicContact CD1-CG1 4.42Å; L111-V119 PolarHBondContact N-O 2.86Å; L111-L121 HydrophobicContact CD1-CB 3.97Å; L111-L121 HydrophobicContact CD1-CD1 4.42Å; L111-L121 HydrophobicContact CD2-CB 4.03Å; L111-L121 HydrophobicContact CG-CB 3.83Å; L111-A132 HydrophobicContact CD1-CB 4.07Å; L111-V192 HydrophobicContact CD1-CG1 4.28Å
112	G	89.8	Confident	93.9	Very high	25 Å²	25	36.9 Å²	36.9	26%	0.258	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-178.7	-172.2	-179.5	0	0	0	0	0	112.3	V119	G112-V119 PolarHBondContact N-O 3.33Å; G112-V119 PolarHBondContact O-N 3.41Å
113	W	90.8	Very high	94	Very high	87 Å²	87	33 Å²	33	33%	0.33	18%	0.177	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-159	167.2	174.4	70.9	-74.8	0	0	0	109.5	E80 Q81 E82 S117 T118	E80-W113 HydrophobicContact CB-CZ2 4.47Å; E80-W113 VanDerWaalsContact O-CE2 3.27Å; E80-W113 VanDerWaalsContact O-CZ2 3.31Å; E80-W113 WeakPolarHBondContact O-CZ2 3.31Å; E80-W113 PolarHBondContact O-NE1 2.83Å; Q81-W113 VanDerWaalsContact C-CE2 3.48Å; E82-W113 HydrophobicContact CB-CD2 3.72Å; E82-W113 HydrophobicContact CB-CE3 3.51Å; E82-W113 HydrophobicContact CB-CG 4.19Å; E82-W113 HydrophobicContact CB-CZ3 4.02Å; E82-W113 VanDerWaalsContact N-CE2 3.26Å; W113-S117 WeakPolarHBondContact CA-O 3.48Å; W113-T118 HydrophobicContact CB-CG2 3.98Å
114	G	86	Confident	94.1	Very high	29 Å²	29	27.5 Å²	27.5	30%	0.299	14%	0.139	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.2	174.9	166.4	0	0	0	0	0	109.2	Y92 F116 S117	Y92-G114 PolarHBondContact OH-O 2.82Å; Y92-G114 VanDerWaalsContact OH-O 3.08Å; G114-F116 PolarHBondContact O-N 2.93Å; G114-S117 PolarHBondContact N-O 3.05Å; G114-S117 PolarHBondContact O-N 2.93Å
115	H	87.1	Confident	94	Very high	98 Å²	98	26.2 Å²	26.2	45%	0.454	14%	0.136	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.2	-26.6	-171	178.2	-111.3	0	0	0	115.1	Y92 K137 Y142	Y92-H115 WeakPolarHBondContact OH-CA 3.39Å; Y92-H115 PolarHBondContact OH-O 2.85Å; H115-K137 PolarHBondContact NE2-NZ 3.2Å; H115-K137 WeakPolarHBondContact O-CD 3.5Å; H115-K137 WeakPolarHBondContact O-CE 3.28Å; H115-K137 PolarHBondContact O-NZ 3.47Å; H115-Y142 PolarHBondContact CE1-OH 3.05Å
116	F	91.8	Very high	93.8	Very high	118 Å²	118	30.7 Å²	30.7	52%	0.518	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.2	-19.1	-177.3	-47.5	-61	0	0	0	114.9	G114 V136 K137 Y142	G114-F116 PolarHBondContact O-N 2.93Å; F116-V136 WeakPolarHBondContact O-CG1 3.3Å; F116-K137 PolarHBondContact O-N 3.24Å; F116-Y142 AromaticContact CD1-CD1 3.69Å; F116-Y142 HydrophobicContact CD1-CD1 3.69Å; F116-Y142 AromaticContact CD1-CE1 3.4Å; F116-Y142 HydrophobicContact CD1-CE1 3.4Å; F116-Y142 VanDerWaalsContact CD1-CE1 3.4Å; F116-Y142 HydrophobicContact CE1-CD1 4.3Å; F116-Y142 AromaticContact CE1-CE1 3.72Å; F116-Y142 HydrophobicContact CE1-CE1 3.72Å
117	S	94.7	Very high	93.6	Very high	14 Å²	14	33.3 Å²	33.3	10%	0.098	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.3	165.1	-170.1	67.5	0	0	0	0	114.8	W113 G114 V135	W113-S117 WeakPolarHBondContact CA-O 3.48Å; G114-S117 PolarHBondContact N-O 3.05Å; G114-S117 PolarHBondContact O-N 2.93Å; S117-V135 CarbonylContact C-O 3.51Å; S117-V135 VanDerWaalsContact CA-O 3.23Å; S117-V135 WeakPolarHBondContact CA-O 3.48Å; S117-V135 VanDerWaalsContact CB-O 3.29Å; S117-V135 WeakPolarHBondContact CB-O 3.45Å
118	T	95.7	Very high	93.4	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	141.4	169.6	59.7	0	0	0	0	110.2	Y92 W113 W120 V135	Y92-T118 HydrophobicContact CD1-CG2 3.89Å; Y92-T118 HydrophobicContact CE1-CG2 4.18Å; Y92-T118 HydrophobicContact CG-CG2 4.45Å; W113-T118 HydrophobicContact CB-CG2 3.98Å; T118-W120 PolarHBondContact OG1-NE1 3.44Å; T118-V135 PolarHBondContact N-O 3.26Å; T118-V135 PolarHBondContact O-N 2.88Å
119	V	96.4	Very high	93.4	Very high	39 Å²	39	42.7 Å²	42.7	24%	0.236	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	132.2	-174.3	-173	0	0	0	0	110.4	L111 G112 A132 M133 K134	L111-V119 HydrophobicContact CB-CG1 4.33Å; L111-V119 HydrophobicContact CD1-CG1 4.42Å; L111-V119 PolarHBondContact N-O 2.86Å; G112-V119 PolarHBondContact N-O 3.33Å; G112-V119 PolarHBondContact O-N 3.41Å; V119-A132 HydrophobicContact CG1-CB 4.27Å; V119-M133 WeakPolarHBondContact CA-O 3.47Å; V119-K134 HydrophobicContact CG2-CB 4.37Å; V119-K134 HydrophobicContact CG2-CG 4.43Å
120	W	97.5	Very high	93.5	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	136.2	-168.4	-63.4	82.9	0	0	0	112.4	V95 I97 V107 R109 K110 T118 C122 A132 M133	V95-W120 HydrophobicContact CB-CD2 4.09Å; V95-W120 HydrophobicContact CB-CH2 4.02Å; V95-W120 HydrophobicContact CB-CZ2 3.56Å; V95-W120 HydrophobicContact CB-CZ3 4.48Å; V95-W120 HydrophobicContact CG1-CD2 3.54Å; V95-W120 HydrophobicContact CG1-CE3 3.75Å; V95-W120 HydrophobicContact CG1-CG 4.08Å; V95-W120 HydrophobicContact CG1-CH2 4.03Å; V95-W120 HydrophobicContact CG1-CZ2 3.87Å; V95-W120 HydrophobicContact CG1-CZ3 3.97Å; V95-W120 HydrophobicContact CG2-CZ2 4.32Å; I97-W120 HydrophobicContact CG1-CZ3 4.04Å; V107-W120 HydrophobicContact CG1-CB 4.46Å; V107-W120 HydrophobicContact CG1-CD2 4.28Å; V107-W120 HydrophobicContact CG1-CE3 3.51Å; V107-W120 HydrophobicContact CG1-CZ3 4.16Å; R109-W120 CarbonylContact O-C 3.16Å; K110-W120 HydrophobicContact CB-CD2 4.12Å; K110-W120 HydrophobicContact CB-CE3 3.74Å; K110-W120 HydrophobicContact CB-CH2 3.82Å; K110-W120 HydrophobicContact CB-CZ2 4.15Å; K110-W120 HydrophobicContact CB-CZ3 3.6Å; K110-W120 HydrophobicContact CD-CH2 4.12Å; K110-W120 HydrophobicContact CD-CZ2 4Å; K110-W120 HydrophobicContact CG-CD2 4.33Å; K110-W120 HydrophobicContact CG-CE3 4.43Å; K110-W120 HydrophobicContact CG-CH2 4.2Å; K110-W120 HydrophobicContact CG-CZ2 4.05Å; K110-W120 HydrophobicContact CG-CZ3 4.39Å; T118-W120 PolarHBondContact OG1-NE1 3.44Å; W120-C122 PolarHBondContact O-N 2.95Å; W120-A132 CarbonylContact O-C 3.57Å; W120-A132 WeakPolarHBondContact O-CA 3.35Å; W120-M133 HydrophobicContact CB-CB 4.42Å; W120-M133 HydrophobicContact CB-CE 4.17Å; W120-M133 HydrophobicContact CG-CE 4.41Å; W120-M133 PolarHBondContact N-O 3.39Å; W120-M133 PolarHBondContact O-N 3.23Å
121	L	97.5	Very high	93.7	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	119.9	167.1	-175.7	64.5	0	0	0	108.1	V108 R109 L111 F130 V192 I253 A257	V108-L121 HydrophobicContact CB-CB 4.48Å; V108-L121 HydrophobicContact CB-CD2 4.27Å; V108-L121 HydrophobicContact CB-CG 4.22Å; V108-L121 WeakPolarHBondContact CB-O 3.27Å; V108-L121 HydrophobicContact CG1-CD2 4.12Å; V108-L121 PolarHBondContact N-O 3.47Å; R109-L121 HydrophobicContact CG-CB 3.93Å; R109-L121 HydrophobicContact CG-CD2 4.09Å; R109-L121 PolarHBondContact N-O 3.31Å; R109-L121 PolarHBondContact O-N 2.76Å; L111-L121 HydrophobicContact CD1-CB 3.97Å; L111-L121 HydrophobicContact CD1-CD1 4.42Å; L111-L121 HydrophobicContact CD2-CB 4.03Å; L111-L121 HydrophobicContact CG-CB 3.83Å; L121-F130 HydrophobicContact CD1-CB 4.02Å; L121-F130 HydrophobicContact CD1-CD1 4.08Å; L121-F130 HydrophobicContact CD1-CG 4.37Å; L121-F130 HydrophobicContact CD2-CD1 4.46Å; L121-F130 HydrophobicContact CG-CD1 4.22Å; L121-V192 HydrophobicContact CD1-CG1 4.06Å; L121-V192 HydrophobicContact CD1-CG2 3.75Å; L121-I253 HydrophobicContact CD1-CG2 4.16Å; L121-A257 HydrophobicContact CD2-CB 4.35Å
122	C	97.3	Very high	93.9	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	152.5	175.8	-70.6	0	0	0	0	110.4	H106 W120 F130 V131	H106-C122 CarbonylContact O-C 3.54Å; H106-C122 VanDerWaalsContact O-CA 3.27Å; H106-C122 WeakPolarHBondContact O-CA 3.47Å; W120-C122 PolarHBondContact O-N 2.95Å; C122-F130 CarbonylContact O-C 3.55Å; C122-F130 WeakPolarHBondContact O-CA 3.41Å; C122-V131 HydrophobicContact CB-CG2 3.86Å; C122-V131 PolarHBondContact N-O 2.84Å; C122-V131 PolarHBondContact O-N 3.23Å
123	W	96	Very high	94.3	Very high	4 Å²	4	38.2 Å²	38.2	2%	0.015	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	128.7	164.4	177.7	-108.2	0	0	0	109.6	Y105 H106 V108 L125 K128 R129 F130 L307 E310 L314	Y105-W123 WeakPolarHBondContact CA-O 3.23Å; H106-W123 PolarHBondContact N-O 3.02Å; H106-W123 PolarHBondContact O-N 3.24Å; V108-W123 HydrophobicContact CG2-CB 4.37Å; W123-L125 PolarHBondContact O-N 3.04Å; W123-K128 HydrophobicContact CH2-CB 4.28Å; W123-K128 WeakPolarHBondContact CH2-O 3.37Å; W123-K128 HydrophobicContact CZ2-CB 4.08Å; W123-K128 HydrophobicContact CZ2-CD 4.03Å; W123-R129 VanDerWaalsContact CE3-C 3.41Å; W123-R129 VanDerWaalsContact CZ3-C 3.48Å; W123-F130 HydrophobicContact CB-CE1 4.44Å; W123-F130 AromaticContact CE3-CD1 3.87Å; W123-F130 HydrophobicContact CE3-CD1 3.87Å; W123-F130 AromaticContact CE3-CD2 3.95Å; W123-F130 HydrophobicContact CE3-CD2 3.95Å; W123-F130 AromaticContact CE3-CE1 3.78Å; W123-F130 HydrophobicContact CE3-CE1 3.78Å; W123-F130 AromaticContact CE3-CE2 3.87Å; W123-F130 HydrophobicContact CE3-CE2 3.87Å; W123-F130 AromaticContact CE3-CG 3.95Å; W123-F130 HydrophobicContact CE3-CG 3.95Å; W123-F130 AromaticContact CE3-CZ 3.78Å; W123-F130 HydrophobicContact CE3-CZ 3.78Å; W123-F130 AromaticContact CZ3-CD2 3.91Å; W123-F130 HydrophobicContact CZ3-CD2 3.91Å; W123-F130 AromaticContact CZ3-CE2 3.78Å; W123-F130 HydrophobicContact CZ3-CE2 3.78Å; W123-F130 HydrophobicContact CZ3-CG 4.34Å; W123-F130 HydrophobicContact CZ3-CZ 4.1Å; W123-L307 HydrophobicContact CB-CD1 3.69Å; W123-L307 HydrophobicContact CD2-CD1 3.92Å; W123-L307 HydrophobicContact CG-CD1 3.45Å; W123-L307 VanDerWaalsContact CG-CD1 3.45Å; W123-E310 HydrophobicContact CZ2-CB 4.12Å; W123-E310 PolarHBondContact NE1-OE2 3.19Å; W123-L314 HydrophobicContact CH2-CD1 3.59Å; W123-L314 HydrophobicContact CH2-CG 4.49Å; W123-L314 HydrophobicContact CZ3-CD1 3.9Å
124	D	96.2	Very high	94.6	Very high	2 Å²	2	35.3 Å²	35.3	1%	0.011	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	104	173.1	-175.8	-16.3	0	0	0	109.8	R104 Y105 C126 S127 K128 R129 V131	R104-D124 WeakPolarHBondContact CG-OD1 3.45Å; R104-D124 IonicContact CZ-OD1 2.7Å; R104-D124 IonicContact CZ-OD2 2.75Å; R104-D124 VanDerWaalsContact CZ-OD2 3.3Å; R104-D124 VanDerWaalsContact NE-CG 3.32Å; R104-D124 IonicContact NE-OD1 3.14Å; R104-D124 PolarHBondContact NE-OD1 3.45Å; R104-D124 IonicContact NE-OD2 3.78Å; R104-D124 PolarHBondContact NE-OD2 2.93Å; R104-D124 IonicContact NH2-OD1 2.67Å; R104-D124 IonicContact NH2-OD2 2.79Å; R104-D124 PolarHBondContact NH2-OD2 3.14Å; Y105-D124 HydrophobicContact CD1-CB 4.12Å; Y105-D124 HydrophobicContact CE1-CB 3.81Å; D124-C126 PolarHBondContact O-N 3.04Å; D124-C126 VanDerWaalsContact O-N 3.16Å; D124-C126 WeakPolarHBondContact OD1-CA 3.46Å; D124-C126 WeakPolarHBondContact OD1-CB 3.47Å; D124-C126 PolarHBondContact OD1-N 3.32Å; D124-S127 PolarHBondContact O-N 3.37Å; D124-S127 PolarHBondContact OD1-N 3.41Å; D124-S127 VanDerWaalsContact OD1-N 3.08Å; D124-S127 WeakPolarHBondContact OD2-CB 3.41Å; D124-S127 PolarHBondContact OD2-OG 3.35Å; D124-K128 WeakPolarHBondContact O-CA 3.26Å; D124-K128 PolarHBondContact O-N 3.46Å; D124-R129 PolarHBondContact N-O 3.28Å; D124-V131 HydrophobicContact CB-CG1 4.22Å
125	L	92.7	Very high	95.2	Very high	34 Å²	34	34 Å²	34	18%	0.178	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-19.9	-179.8	-67.5	166.8	0	0	0	113.5	V100 R104 W123 K128 L306	V100-L125 HydrophobicContact CG1-CD1 4.15Å; R104-L125 VanDerWaalsContact O-CB 3.31Å; R104-L125 WeakPolarHBondContact O-CB 3.34Å; R104-L125 VanDerWaalsContact O-CG 3.31Å; R104-L125 WeakPolarHBondContact O-CG 3.4Å; R104-L125 PolarHBondContact O-N 2.9Å; W123-L125 PolarHBondContact O-N 3.04Å; L125-K128 WeakPolarHBondContact O-CE 3.25Å; L125-K128 PolarHBondContact O-NZ 3Å; L125-L306 HydrophobicContact CD2-CD2 4.01Å
126	C	93.3	Very high	95.7	Very high	96 Å²	96	29.6 Å²	29.6	65%	0.649	15%	0.153	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.4	-47.4	-179.9	-64.4	0	0	0	0	112.1	R104 D124	R104-C126 HydrophobicContact CG-CB 4.23Å; D124-C126 PolarHBondContact O-N 3.04Å; D124-C126 VanDerWaalsContact O-N 3.16Å; D124-C126 WeakPolarHBondContact OD1-CA 3.46Å; D124-C126 WeakPolarHBondContact OD1-CB 3.47Å; D124-C126 PolarHBondContact OD1-N 3.32Å
127	S	91.9	Very high	95.9	Very high	60 Å²	60	24.3 Å²	24.3	42%	0.42	13%	0.13	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.2	0.9	-176.4	73.2	0	0	0	0	115.3	D124 R129	D124-S127 PolarHBondContact O-N 3.37Å; D124-S127 PolarHBondContact OD1-N 3.41Å; D124-S127 VanDerWaalsContact OD1-N 3.08Å; D124-S127 WeakPolarHBondContact OD2-CB 3.41Å; D124-S127 PolarHBondContact OD2-OG 3.35Å; S127-R129 PolarHBondContact O-N 2.93Å; S127-R129 WeakPolarHBondContact OG-CG 3.31Å
128	K	91.9	Very high	96	Very high	98 Å²	98	24.3 Å²	24.3	43%	0.426	13%	0.13	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.7	44.7	174.4	-55.5	-50.2	-168.3	-166.2	0	113.9	W123 D124 L125 E310	W123-K128 HydrophobicContact CH2-CB 4.28Å; W123-K128 WeakPolarHBondContact CH2-O 3.37Å; W123-K128 HydrophobicContact CZ2-CB 4.08Å; W123-K128 HydrophobicContact CZ2-CD 4.03Å; D124-K128 WeakPolarHBondContact O-CA 3.26Å; D124-K128 PolarHBondContact O-N 3.46Å; L125-K128 WeakPolarHBondContact O-CE 3.25Å; L125-K128 PolarHBondContact O-NZ 3Å; K128-E310 WeakPolarHBondContact CD-OE2 3.26Å; K128-E310 IonicContact NZ-OE1 2.71Å; K128-E310 PolarHBondContact NZ-OE1 3.33Å; K128-E310 IonicContact NZ-OE2 2.96Å; K128-E310 PolarHBondContact NZ-OE2 2.97Å
129	R	93.2	Very high	96	Very high	102 Å²	102	25 Å²	25	39%	0.385	14%	0.136	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	162.7	174.9	67.8	-177.8	-67.5	-172.6	4.2	111.5	W123 D124 S127 V131	W123-R129 VanDerWaalsContact CE3-C 3.41Å; W123-R129 VanDerWaalsContact CZ3-C 3.48Å; D124-R129 PolarHBondContact N-O 3.28Å; S127-R129 PolarHBondContact O-N 2.93Å; S127-R129 WeakPolarHBondContact OG-CG 3.31Å; R129-V131 HydrophobicContact CG-CG1 4.08Å
130	F	96.5	Very high	96	Very high	14 Å²	14	27.5 Å²	27.5	6%	0.061	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	147.2	164.8	-66.2	-78	0	0	0	111.2	V108 L121 C122 W123 V192 I253 R254 A257 L311	V108-F130 HydrophobicContact CG2-CE1 4.29Å; L121-F130 HydrophobicContact CD1-CB 4.02Å; L121-F130 HydrophobicContact CD1-CD1 4.08Å; L121-F130 HydrophobicContact CD1-CG 4.37Å; L121-F130 HydrophobicContact CD2-CD1 4.46Å; L121-F130 HydrophobicContact CG-CD1 4.22Å; C122-F130 CarbonylContact O-C 3.55Å; C122-F130 WeakPolarHBondContact O-CA 3.41Å; W123-F130 HydrophobicContact CB-CE1 4.44Å; W123-F130 AromaticContact CE3-CD1 3.87Å; W123-F130 HydrophobicContact CE3-CD1 3.87Å; W123-F130 AromaticContact CE3-CD2 3.95Å; W123-F130 HydrophobicContact CE3-CD2 3.95Å; W123-F130 AromaticContact CE3-CE1 3.78Å; W123-F130 HydrophobicContact CE3-CE1 3.78Å; W123-F130 AromaticContact CE3-CE2 3.87Å; W123-F130 HydrophobicContact CE3-CE2 3.87Å; W123-F130 AromaticContact CE3-CG 3.95Å; W123-F130 HydrophobicContact CE3-CG 3.95Å; W123-F130 AromaticContact CE3-CZ 3.78Å; W123-F130 HydrophobicContact CE3-CZ 3.78Å; W123-F130 AromaticContact CZ3-CD2 3.91Å; W123-F130 HydrophobicContact CZ3-CD2 3.91Å; W123-F130 AromaticContact CZ3-CE2 3.78Å; W123-F130 HydrophobicContact CZ3-CE2 3.78Å; W123-F130 HydrophobicContact CZ3-CG 4.34Å; W123-F130 HydrophobicContact CZ3-CZ 4.1Å; F130-V192 HydrophobicContact CB-CG2 3.91Å; F130-I253 HydrophobicContact CB-CG2 3.57Å; F130-I253 HydrophobicContact CD1-CG2 4.37Å; F130-I253 HydrophobicContact CD2-CG2 3.63Å; F130-I253 HydrophobicContact CE2-CG2 4.44Å; F130-I253 HydrophobicContact CG-CG2 3.59Å; F130-R254 HydrophobicContact CE2-CG 4.18Å; F130-A257 HydrophobicContact CD1-CB 4.41Å; F130-A257 HydrophobicContact CE1-CB 3.48Å; F130-A257 VanDerWaalsContact CE1-CB 3.48Å; F130-A257 HydrophobicContact CE2-CB 4.25Å; F130-A257 HydrophobicContact CZ-CB 3.38Å; F130-L311 HydrophobicContact CE2-CD1 4.47Å; F130-L311 HydrophobicContact CZ-CD1 4.26Å
131	V	98	Very high	95.7	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	157.1	178.8	-60.7	0	0	0	0	110.5	Y105 C122 D124 R129 L173 I189 F190	Y105-V131 HydrophobicContact CD1-CG2 3.63Å; Y105-V131 HydrophobicContact CE1-CG2 3.73Å; C122-V131 HydrophobicContact CB-CG2 3.86Å; C122-V131 PolarHBondContact N-O 2.84Å; C122-V131 PolarHBondContact O-N 3.23Å; D124-V131 HydrophobicContact CB-CG1 4.22Å; R129-V131 HydrophobicContact CG-CG1 4.08Å; V131-L173 HydrophobicContact CG1-CD1 4Å; V131-I189 HydrophobicContact CB-CG2 3.69Å; V131-I189 HydrophobicContact CG1-CG2 4.11Å; V131-I189 HydrophobicContact CG2-CG2 3.72Å; V131-F190 CarbonylContact C-O 3.51Å; V131-F190 WeakPolarHBondContact CA-O 3.25Å; V131-F190 WeakPolarHBondContact CB-O 3.36Å
132	A	98.2	Very high	95.5	Very high	8 Å²	8	34 Å²	34	7%	0.066	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	124.5	174.4	0	0	0	0	0	110.6	L111 V119 W120 I189 F190	L111-A132 HydrophobicContact CD1-CB 4.07Å; V119-A132 HydrophobicContact CG1-CB 4.27Å; W120-A132 CarbonylContact O-C 3.57Å; W120-A132 WeakPolarHBondContact O-CA 3.35Å; A132-I189 CarbonylContact O-C 3.6Å; A132-I189 WeakPolarHBondContact O-CA 3.45Å; A132-F190 HydrophobicContact CB-CB 4.47Å; A132-F190 PolarHBondContact N-O 3Å; A132-F190 PolarHBondContact O-N 3.21Å
133	M	98.2	Very high	95.4	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	107.8	-179.9	179.8	177.9	73.3	0	0	110.6	V95 Y101 V107 V119 W120 V135 F176 M188 I189	V95-M133 HydrophobicContact CG1-CE 4.5Å; Y101-M133 HydrophobicContact CD2-CE 3.79Å; Y101-M133 HydrophobicContact CD2-SD 4.17Å; Y101-M133 HydrophobicContact CE2-CE 3.97Å; Y101-M133 HydrophobicContact CG-CE 4.34Å; Y101-M133 HydrophobicContact CG-SD 4.19Å; V107-M133 HydrophobicContact CG2-CE 3.93Å; V119-M133 WeakPolarHBondContact CA-O 3.47Å; W120-M133 HydrophobicContact CB-CB 4.42Å; W120-M133 HydrophobicContact CB-CE 4.17Å; W120-M133 HydrophobicContact CG-CE 4.41Å; W120-M133 PolarHBondContact N-O 3.39Å; W120-M133 PolarHBondContact O-N 3.23Å; M133-V135 HydrophobicContact CE-CG2 3.84Å; M133-V135 HydrophobicContact CG-CG2 3.86Å; M133-V135 HydrophobicContact SD-CG2 4.24Å; M133-F176 HydrophobicContact SD-CZ 4.15Å; M133-M188 CarbonylContact C-O 3.55Å; M133-M188 WeakPolarHBondContact CA-O 3.37Å; M133-I189 HydrophobicContact CB-CD1 3.64Å; M133-I189 HydrophobicContact CG-CD1 3.57Å; M133-I189 HydrophobicContact SD-CD1 4.2Å
134	K	97.6	Very high	95.3	Very high	26 Å²	26	40.4 Å²	40.4	11%	0.113	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	115.1	172.8	179.1	177	171.3	-177.9	0	108.5	V119 E149 C187 M188 F190 D606	V119-K134 HydrophobicContact CG2-CB 4.37Å; V119-K134 HydrophobicContact CG2-CG 4.43Å; K134-E149 IonicContact NZ-OE1 2.72Å; K134-E149 PolarHBondContact NZ-OE1 3.5Å; K134-E149 IonicContact NZ-OE2 3.05Å; K134-E149 PolarHBondContact NZ-OE2 3.42Å; K134-C187 WeakPolarHBondContact O-CA 3.43Å; K134-M188 HydrophobicContact CB-CB 4.41Å; K134-M188 HydrophobicContact CD-CE 3.85Å; K134-M188 HydrophobicContact CG-CE 4.23Å; K134-M188 PolarHBondContact N-O 3.36Å; K134-M188 PolarHBondContact O-N 3.32Å; K134-F190 HydrophobicContact CB-CD2 4.31Å; K134-F190 HydrophobicContact CB-CE2 3.88Å; K134-F190 HydrophobicContact CD-CE2 4.04Å; K134-D606 IonicContact NZ-OD1 2.7Å
135	V	97.7	Very high	95.2	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	114.8	179.8	-173.2	0	0	0	0	109.7	H93 V95 S117 T118 M133 H185	H93-V135 HydrophobicContact CB-CG1 3.66Å; V95-V135 HydrophobicContact CG2-CG2 4.2Å; S117-V135 CarbonylContact C-O 3.51Å; S117-V135 VanDerWaalsContact CA-O 3.23Å; S117-V135 WeakPolarHBondContact CA-O 3.48Å; S117-V135 VanDerWaalsContact CB-O 3.29Å; S117-V135 WeakPolarHBondContact CB-O 3.45Å; T118-V135 PolarHBondContact N-O 3.26Å; T118-V135 PolarHBondContact O-N 2.88Å; M133-V135 HydrophobicContact CE-CG2 3.84Å; M133-V135 HydrophobicContact CG-CG2 3.86Å; M133-V135 HydrophobicContact SD-CG2 4.24Å; V135-H185 HydrophobicContact CG1-CB 4.13Å
136	V	97.2	Very high	95.3	Very high	6 Å²	6	42.3 Å²	42.3	4%	0.036	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	153.1	-171.7	-170.5	0	0	0	0	111.8	F116 A146 H185 V186 M188	F116-V136 WeakPolarHBondContact O-CG1 3.3Å; V136-A146 HydrophobicContact CB-CB 4.47Å; V136-A146 HydrophobicContact CG1-CB 4.17Å; V136-A146 HydrophobicContact CG2-CB 3.99Å; V136-H185 PolarHBondContact O-ND1 2.96Å; V136-V186 HydrophobicContact CB-CB 4.44Å; V136-V186 HydrophobicContact CG2-CB 4.4Å; V136-V186 PolarHBondContact N-O 2.96Å; V136-M188 HydrophobicContact CG2-CE 3.69Å
137	K	97	Very high	95.5	Very high	8 Å²	8	40 Å²	40	4%	0.035	21%	0.207	C	C	.	.			trans	-56.9	147.7	167.1	-75.4	-174.5	169.9	167.6	0	111.1	D86 G91 Y92 H115 F116 Y142	D86-K137 WeakPolarHBondContact OD2-CE 3.47Å; D86-K137 IonicContact OD2-NZ 2.68Å; D86-K137 PolarHBondContact OD2-NZ 3.25Å; G91-K137 VanDerWaalsContact O-CA 3.27Å; G91-K137 WeakPolarHBondContact O-CA 3.27Å; Y92-K137 HydrophobicContact CD1-CD 4.41Å; Y92-K137 HydrophobicContact CD1-CG 3.68Å; Y92-K137 HydrophobicContact CE1-CD 4.27Å; Y92-K137 HydrophobicContact CE1-CG 3.93Å; Y92-K137 VanDerWaalsContact CE2-CE 3.48Å; Y92-K137 HydrophobicContact CG-CG 4.18Å; H115-K137 PolarHBondContact NE2-NZ 3.2Å; H115-K137 WeakPolarHBondContact O-CD 3.5Å; H115-K137 WeakPolarHBondContact O-CE 3.28Å; H115-K137 PolarHBondContact O-NZ 3.47Å; F116-K137 PolarHBondContact O-N 3.24Å; K137-Y142 HydrophobicContact CB-CD2 3.34Å; K137-Y142 HydrophobicContact CB-CE2 3.9Å; K137-Y142 HydrophobicContact CB-CG 4.03Å; K137-Y142 HydrophobicContact CD-CD2 3.91Å; K137-Y142 HydrophobicContact CD-CE2 3.54Å; K137-Y142 HydrophobicContact CG-CD2 4.25Å; K137-Y142 HydrophobicContact CG-CE2 4.36Å
138	S	96.9	Very high	95.6	Very high	14 Å²	14	39.7 Å²	39.7	10%	0.098	20%	0.201	C	C	.	.			trans	-90.5	1.8	-169.8	46.7	0	0	0	0	116.2	G90 G91 N182 N184 H185	G90-S138 VanDerWaalsContact C-OG 3.29Å; G90-S138 VanDerWaalsContact CA-OG 3.23Å; G90-S138 WeakPolarHBondContact CA-OG 3.35Å; G90-S138 PolarHBondContact N-OG 3.48Å; G90-S138 PolarHBondContact O-N 3.14Å; G91-S138 PolarHBondContact O-N 2.81Å; G91-S138 VanDerWaalsContact O-N 3.11Å; G91-S138 PolarHBondContact O-OG 2.82Å; S138-N182 PolarHBondContact OG-O 3.02Å; S138-N184 WeakPolarHBondContact CA-O 3.41Å; S138-N184 VanDerWaalsContact CB-O 3.3Å; S138-N184 WeakPolarHBondContact CB-O 3.41Å; S138-H185 VanDerWaalsContact CB-CE1 3.45Å; S138-H185 WeakPolarHBondContact CB-CE1 3.18Å; S138-H185 PolarHBondContact OG-CE1 3.33Å
139	A	95.8	Very high	95.8	Very high	15 Å²	15	35.7 Å²	35.7	12%	0.124	18%	0.183	C	C	.	.	S	Bend	trans	-66.8	153.9	176.3	0	0	0	0	0	111.3	G90 H141 Y142 T143	G90-A139 WeakPolarHBondContact O-CB 3.49Å; G90-A139 PolarHBondContact O-N 3.5Å; A139-H141 WeakPolarHBondContact CB-ND1 3.35Å; A139-H141 PolarHBondContact O-N 2.96Å; A139-Y142 HydrophobicContact CB-CD2 3.68Å; A139-Y142 HydrophobicContact CB-CE2 4.11Å; A139-Y142 PolarHBondContact O-N 2.76Å; A139-T143 WeakPolarHBondContact O-CB 3.47Å; A139-T143 PolarHBondContact O-N 2.96Å; A139-T143 PolarHBondContact O-OG1 3.43Å
140	P	94.9	Very high	96	Very high	90 Å²	90	31.5 Å²	31.5	58%	0.584	17%	0.169	S	C	*	.	H	α-helix	trans	-56.4	-47.6	-175	-27.5	36.1	0	0	0	113.7	Y142 T143 E144	P140-Y142 PolarHBondContact O-N 3.47Å; P140-T143 CarbonylContact O-C 3.55Å; P140-T143 WeakPolarHBondContact O-CA 3.19Å; P140-T143 VanDerWaalsContact O-CB 3.3Å; P140-T143 WeakPolarHBondContact O-CB 3.14Å; P140-T143 PolarHBondContact O-N 2.85Å; P140-E144 WeakPolarHBondContact O-CG 3.37Å; P140-E144 PolarHBondContact O-N 2.94Å
141	H	91.9	Very high	96.1	Very high	97 Å²	97	36.4 Å²	36.4	45%	0.449	19%	0.19	S	C	.	.	H	α-helix	trans	-63.3	-44.3	-178.5	62.7	-56	0	0	0	112.6	A139 T143 E144 T145	A139-H141 WeakPolarHBondContact CB-ND1 3.35Å; A139-H141 PolarHBondContact O-N 2.96Å; H141-T143 PolarHBondContact O-N 3.01Å; H141-E144 PolarHBondContact O-N 3.19Å; H141-T145 PolarHBondContact O-N 3.36Å; H141-T145 PolarHBondContact O-OG1 3.41Å; H141-T145 VanDerWaalsContact O-OG1 3.12Å
142	Y	93.4	Very high	96.1	Very high	41 Å²	41	36.6 Å²	36.6	16%	0.161	19%	0.191	C	C	.	.	H	α-helix	trans	-63.5	-32.2	173.3	-56.3	-43.6	0	0	0	112.6	H115 F116 K137 A139 P140 A146	H115-Y142 PolarHBondContact CE1-OH 3.05Å; F116-Y142 AromaticContact CD1-CD1 3.69Å; F116-Y142 HydrophobicContact CD1-CD1 3.69Å; F116-Y142 AromaticContact CD1-CE1 3.4Å; F116-Y142 HydrophobicContact CD1-CE1 3.4Å; F116-Y142 VanDerWaalsContact CD1-CE1 3.4Å; F116-Y142 HydrophobicContact CE1-CD1 4.3Å; F116-Y142 AromaticContact CE1-CE1 3.72Å; F116-Y142 HydrophobicContact CE1-CE1 3.72Å; K137-Y142 HydrophobicContact CB-CD2 3.34Å; K137-Y142 HydrophobicContact CB-CE2 3.9Å; K137-Y142 HydrophobicContact CB-CG 4.03Å; K137-Y142 HydrophobicContact CD-CD2 3.91Å; K137-Y142 HydrophobicContact CD-CE2 3.54Å; K137-Y142 HydrophobicContact CG-CD2 4.25Å; K137-Y142 HydrophobicContact CG-CE2 4.36Å; A139-Y142 HydrophobicContact CB-CD2 3.68Å; A139-Y142 HydrophobicContact CB-CE2 4.11Å; A139-Y142 PolarHBondContact O-N 2.76Å; P140-Y142 PolarHBondContact O-N 3.47Å; Y142-A146 VanDerWaalsContact O-CB 3.26Å; Y142-A146 WeakPolarHBondContact O-CB 3.36Å; Y142-A146 PolarHBondContact O-N 3.06Å; Y142-A146 VanDerWaalsContact O-N 3.16Å
143	T	95.3	Very high	96	Very high	18 Å²	18	36.3 Å²	36.3	11%	0.11	19%	0.188	C	C	.	.	H	α-helix	trans	-71.4	-39.2	175.9	-60.4	0	0	0	0	111.5	A139 P140 H141 L147 V186	A139-T143 WeakPolarHBondContact O-CB 3.47Å; A139-T143 PolarHBondContact O-N 2.96Å; A139-T143 PolarHBondContact O-OG1 3.43Å; P140-T143 CarbonylContact O-C 3.55Å; P140-T143 WeakPolarHBondContact O-CA 3.19Å; P140-T143 VanDerWaalsContact O-CB 3.3Å; P140-T143 WeakPolarHBondContact O-CB 3.14Å; P140-T143 PolarHBondContact O-N 2.85Å; H141-T143 PolarHBondContact O-N 3.01Å; T143-L147 HydrophobicContact CG2-CD1 4.02Å; T143-L147 VanDerWaalsContact O-CD1 3.31Å; T143-L147 WeakPolarHBondContact O-CD1 3.18Å; T143-L147 WeakPolarHBondContact O-CG 3.04Å; T143-L147 PolarHBondContact O-N 3.34Å; T143-L147 VanDerWaalsContact O-N 3.15Å; T143-V186 HydrophobicContact CG2-CG2 4.01Å
144	E	94.1	Very high	96	Very high	119 Å²	119	37.3 Å²	37.3	56%	0.556	20%	0.195	S	C	*	.	H	α-helix	trans	-67.4	-51.7	177.7	-74.6	158.5	-164.5	0	0	111	P140 H141 A146 L147 D148	P140-E144 WeakPolarHBondContact O-CG 3.37Å; P140-E144 PolarHBondContact O-N 2.94Å; H141-E144 PolarHBondContact O-N 3.19Å; E144-A146 VanDerWaalsContact C-N 3.29Å; E144-A146 PolarHBondContact O-N 2.76Å; E144-L147 PolarHBondContact O-N 2.93Å; E144-D148 PolarHBondContact O-N 3.03Å; E144-D148 VanDerWaalsContact O-N 3.08Å
145	T	93.4	Very high	96	Very high	75 Å²	75	37.2 Å²	37.2	46%	0.46	20%	0.197	S	C	.	.	H	α-helix	trans	-55.7	-42.8	174.7	-52.6	0	0	0	0	111.9	H141 L147 D148 E149	H141-T145 PolarHBondContact O-N 3.36Å; H141-T145 PolarHBondContact O-OG1 3.41Å; H141-T145 VanDerWaalsContact O-OG1 3.12Å; T145-L147 VanDerWaalsContact C-N 3.28Å; T145-L147 PolarHBondContact O-N 2.7Å; T145-D148 PolarHBondContact O-N 2.72Å; T145-E149 WeakPolarHBondContact O-CB 3.43Å; T145-E149 PolarHBondContact O-N 2.71Å
146	A	95.7	Very high	96	Very high	2 Å²	2	37.2 Å²	37.2	2%	0.017	20%	0.197	C	C	.	.	H	α-helix	trans	-66.1	-26.8	177.5	0	0	0	0	0	113.7	V136 Y142 E144 I150 V186 M188	V136-A146 HydrophobicContact CB-CB 4.47Å; V136-A146 HydrophobicContact CG1-CB 4.17Å; V136-A146 HydrophobicContact CG2-CB 3.99Å; Y142-A146 VanDerWaalsContact O-CB 3.26Å; Y142-A146 WeakPolarHBondContact O-CB 3.36Å; Y142-A146 PolarHBondContact O-N 3.06Å; Y142-A146 VanDerWaalsContact O-N 3.16Å; E144-A146 VanDerWaalsContact C-N 3.29Å; E144-A146 PolarHBondContact O-N 2.76Å; A146-I150 WeakPolarHBondContact O-CD1 3.3Å; A146-I150 VanDerWaalsContact O-CG1 3.25Å; A146-I150 WeakPolarHBondContact O-CG1 3.46Å; A146-I150 PolarHBondContact O-N 3.4Å; A146-I150 VanDerWaalsContact O-N 3.07Å; A146-V186 HydrophobicContact CB-CB 4.19Å; A146-V186 HydrophobicContact CB-CG1 4.17Å; A146-V186 HydrophobicContact CB-CG2 4.39Å; A146-M188 HydrophobicContact CB-CE 4.2Å
147	L	96.3	Very high	96	Very high	46 Å²	46	40.6 Å²	40.6	24%	0.241	21%	0.21	C	C	.	.	H	α-helix	trans	-80	-29.2	176	-70	163.1	0	0	0	112.2	T143 E144 T145 K151 R177	T143-L147 HydrophobicContact CG2-CD1 4.02Å; T143-L147 VanDerWaalsContact O-CD1 3.31Å; T143-L147 WeakPolarHBondContact O-CD1 3.18Å; T143-L147 WeakPolarHBondContact O-CG 3.04Å; T143-L147 PolarHBondContact O-N 3.34Å; T143-L147 VanDerWaalsContact O-N 3.15Å; E144-L147 PolarHBondContact O-N 2.93Å; T145-L147 VanDerWaalsContact C-N 3.28Å; T145-L147 PolarHBondContact O-N 2.7Å; L147-K151 WeakPolarHBondContact O-CE 3.37Å; L147-K151 WeakPolarHBondContact O-CG 3.33Å; L147-K151 PolarHBondContact O-N 2.9Å; L147-R177 VanDerWaalsContact CD1-NH2 3.3Å; L147-R177 VanDerWaalsContact CD2-NH2 3.32Å
148	D	94.7	Very high	95.9	Very high	54 Å²	54	45.5 Å²	45.5	29%	0.289	23%	0.233	S	C	.	.	H	α-helix	trans	-75.5	-37	169.2	-72.9	-39.2	0	0	0	111.7	E144 T145 I150 K151 L152	E144-D148 PolarHBondContact O-N 3.03Å; E144-D148 VanDerWaalsContact O-N 3.08Å; T145-D148 PolarHBondContact O-N 2.72Å; D148-I150 VanDerWaalsContact C-N 3.32Å; D148-I150 PolarHBondContact O-N 3.38Å; D148-K151 PolarHBondContact O-N 3.26Å; D148-K151 VanDerWaalsContact O-N 3.17Å; D148-K151 WeakPolarHBondContact OD1-CD 3.44Å; D148-K151 WeakPolarHBondContact OD1-CE 3.46Å; D148-K151 IonicContact OD1-NZ 2.78Å; D148-K151 PolarHBondContact OD1-NZ 2.89Å; D148-L152 WeakPolarHBondContact O-CG 3.4Å; D148-L152 PolarHBondContact O-N 3.37Å; D148-L152 VanDerWaalsContact O-N 3.08Å
149	E	96.4	Very high	95.9	Very high	14 Å²	14	46.2 Å²	46.2	7%	0.065	24%	0.238	C	C	.	.	H	α-helix	trans	-55.2	-45.9	168.7	-164.8	-167.6	152.7	0	0	110.9	K134 T145 K151 L152 L153 M188	K134-E149 IonicContact NZ-OE1 2.72Å; K134-E149 PolarHBondContact NZ-OE1 3.5Å; K134-E149 IonicContact NZ-OE2 3.05Å; K134-E149 PolarHBondContact NZ-OE2 3.42Å; T145-E149 WeakPolarHBondContact O-CB 3.43Å; T145-E149 PolarHBondContact O-N 2.71Å; E149-K151 PolarHBondContact O-N 2.67Å; E149-L152 PolarHBondContact O-N 3.34Å; E149-L153 HydrophobicContact CG-CD1 3.86Å; E149-L153 HydrophobicContact CG-CG 4.45Å; E149-L153 VanDerWaalsContact O-CB 3.31Å; E149-L153 WeakPolarHBondContact O-CB 3.03Å; E149-L153 VanDerWaalsContact O-CG 3.24Å; E149-L153 WeakPolarHBondContact O-CG 3.2Å; E149-L153 PolarHBondContact O-N 2.82Å; E149-M188 HydrophobicContact CG-SD 4.49Å
150	I	97.4	Very high	95.9	Very high	15 Å²	15	47.8 Å²	47.8	8%	0.077	25%	0.25	C	S	.	.	H	α-helix	trans	-62.6	-37.4	176.9	-75	165.5	0	0	0	112.7	A146 D148 S154 L172 D175 V186 M188	A146-I150 WeakPolarHBondContact O-CD1 3.3Å; A146-I150 VanDerWaalsContact O-CG1 3.25Å; A146-I150 WeakPolarHBondContact O-CG1 3.46Å; A146-I150 PolarHBondContact O-N 3.4Å; A146-I150 VanDerWaalsContact O-N 3.07Å; D148-I150 VanDerWaalsContact C-N 3.32Å; D148-I150 PolarHBondContact O-N 3.38Å; I150-S154 WeakPolarHBondContact O-CB 3.23Å; I150-S154 PolarHBondContact O-N 3.3Å; I150-S154 PolarHBondContact O-OG 3.04Å; I150-L172 HydrophobicContact CG1-CD2 4.34Å; I150-L172 HydrophobicContact CG2-CD2 4.22Å; I150-D175 HydrophobicContact CD1-CB 4.04Å; I150-V186 HydrophobicContact CD1-CG1 3.56Å; I150-M188 HydrophobicContact CD1-CG 3.8Å; I150-M188 HydrophobicContact CD1-SD 4.19Å; I150-M188 HydrophobicContact CG1-CG 3.7Å; I150-M188 HydrophobicContact CG1-SD 3.66Å
151	K	97.4	Very high	95.8	Very high	117 Å²	117	46.6 Å²	46.6	51%	0.509	24%	0.243	S	C	.	.	H	α-helix	trans	-65.3	-46.9	176.8	-68.3	164.2	-156.5	165.7	0	111.1	L147 D148 E149 S154 C155	L147-K151 WeakPolarHBondContact O-CE 3.37Å; L147-K151 WeakPolarHBondContact O-CG 3.33Å; L147-K151 PolarHBondContact O-N 2.9Å; D148-K151 PolarHBondContact O-N 3.26Å; D148-K151 VanDerWaalsContact O-N 3.17Å; D148-K151 WeakPolarHBondContact OD1-CD 3.44Å; D148-K151 WeakPolarHBondContact OD1-CE 3.46Å; D148-K151 IonicContact OD1-NZ 2.78Å; D148-K151 PolarHBondContact OD1-NZ 2.89Å; E149-K151 PolarHBondContact O-N 2.67Å; K151-S154 PolarHBondContact O-N 3.15Å; K151-C155 PolarHBondContact O-N 2.83Å; K151-C155 VanDerWaalsContact O-N 3.09Å
152	L	97.8	Very high	96	Very high	3 Å²	3	49.4 Å²	49.4	2%	0.016	26%	0.261	C	S	.	.	H	α-helix	trans	-60.3	-49.7	176.5	-68.7	160.3	0	0	0	110.5	D148 E149 S154 C155 V156 I234 L607 A610 W612 F617	D148-L152 WeakPolarHBondContact O-CG 3.4Å; D148-L152 PolarHBondContact O-N 3.37Å; D148-L152 VanDerWaalsContact O-N 3.08Å; E149-L152 PolarHBondContact O-N 3.34Å; L152-S154 VanDerWaalsContact C-N 3.32Å; L152-S154 PolarHBondContact O-N 2.88Å; L152-C155 PolarHBondContact O-N 3.45Å; L152-V156 WeakPolarHBondContact O-CG2 3.32Å; L152-V156 PolarHBondContact O-N 2.63Å; L152-I234 HydrophobicContact CB-CD1 4.18Å; L152-I234 HydrophobicContact CD2-CD1 3.65Å; L152-I234 HydrophobicContact CD2-CG1 3.77Å; L152-I234 HydrophobicContact CD2-CG2 4.32Å; L152-L607 HydrophobicContact CB-CD2 4.19Å; L152-A610 HydrophobicContact CD1-CB 4.22Å; L152-A610 WeakPolarHBondContact CD1-O 3.42Å; L152-W612 HydrophobicContact CD2-CD2 4.01Å; L152-W612 HydrophobicContact CD2-CE3 4.44Å; L152-W612 HydrophobicContact CD2-CH2 4.21Å; L152-W612 HydrophobicContact CD2-CZ2 3.71Å; L152-W612 HydrophobicContact CG-CZ2 4.31Å; L152-F617 HydrophobicContact CD1-CE2 4.34Å
153	L	97.9	Very high	96.2	Very high	2 Å²	2	48.9 Å²	48.9	1%	0.01	26%	0.261	C	S	.	.	H	α-helix	trans	-61.9	-33.5	177.8	-75.3	168.5	0	0	0	114	E149 V156 R157 V170 L172 M188 F190 L607	E149-L153 HydrophobicContact CG-CD1 3.86Å; E149-L153 HydrophobicContact CG-CG 4.45Å; E149-L153 VanDerWaalsContact O-CB 3.31Å; E149-L153 WeakPolarHBondContact O-CB 3.03Å; E149-L153 VanDerWaalsContact O-CG 3.24Å; E149-L153 WeakPolarHBondContact O-CG 3.2Å; E149-L153 PolarHBondContact O-N 2.82Å; L153-V156 PolarHBondContact O-N 3.39Å; L153-R157 PolarHBondContact O-N 3.37Å; L153-R157 VanDerWaalsContact O-N 3.1Å; L153-V170 HydrophobicContact CD2-CG1 4.25Å; L153-L172 HydrophobicContact CB-CB 3.89Å; L153-L172 HydrophobicContact CB-CD2 3.8Å; L153-L172 HydrophobicContact CB-CG 4.44Å; L153-L172 HydrophobicContact CD1-CB 4.4Å; L153-L172 HydrophobicContact CD1-CD2 4.35Å; L153-M188 HydrophobicContact CD1-SD 4.1Å; L153-F190 HydrophobicContact CD1-CE1 3.66Å; L153-F190 HydrophobicContact CD1-CZ 3.67Å; L153-F190 HydrophobicContact CD2-CE1 4.07Å; L153-L607 HydrophobicContact CD2-CD1 4.16Å
154	S	97.5	Very high	96.2	Very high	21 Å²	21	52.2 Å²	52.2	15%	0.147	28%	0.283	C	S	.	.	H	α-helix	trans	-69.9	-43.2	175.9	-59.1	0	0	0	0	110.9	I150 K151 L152 V156 R157 E158	I150-S154 WeakPolarHBondContact O-CB 3.23Å; I150-S154 PolarHBondContact O-N 3.3Å; I150-S154 PolarHBondContact O-OG 3.04Å; K151-S154 PolarHBondContact O-N 3.15Å; L152-S154 VanDerWaalsContact C-N 3.32Å; L152-S154 PolarHBondContact O-N 2.88Å; S154-V156 VanDerWaalsContact C-N 3.33Å; S154-V156 PolarHBondContact O-N 2.86Å; S154-R157 WeakPolarHBondContact O-CA 3.34Å; S154-R157 WeakPolarHBondContact O-CB 3.38Å; S154-R157 PolarHBondContact O-N 2.92Å; S154-E158 WeakPolarHBondContact O-CB 3.45Å; S154-E158 WeakPolarHBondContact O-CG 3.36Å; S154-E158 PolarHBondContact O-N 3.48Å
155	C	97.4	Very high	96.4	Very high	24 Å²	24	48.4 Å²	48.4	16%	0.162	27%	0.265	C	S	.	.	H	α-helix	trans	-59.9	-41	170.5	174.5	0	0	0	0	112.3	K151 L152 R157 E158 S159 W612	K151-C155 PolarHBondContact O-N 2.83Å; K151-C155 VanDerWaalsContact O-N 3.09Å; L152-C155 PolarHBondContact O-N 3.45Å; C155-R157 PolarHBondContact O-N 3.43Å; C155-E158 PolarHBondContact O-N 3.11Å; C155-E158 VanDerWaalsContact O-N 3.12Å; C155-S159 VanDerWaalsContact O-CB 3.31Å; C155-S159 WeakPolarHBondContact O-CB 3.49Å; C155-S159 PolarHBondContact O-N 3.44Å; C155-S159 PolarHBondContact O-OG 2.9Å; C155-S159 PolarHBondContact SG-OG 3.49Å; C155-S159 VanDerWaalsContact SG-OG 3.37Å; C155-W612 HydrophobicContact CB-CH2 3.65Å; C155-W612 HydrophobicContact CB-CZ3 4.11Å
156	V	97.8	Very high	96.6	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-63.7	-19.8	174.1	169.5	0	0	0	0	113.6	L152 L153 S154 R166 T169 Y227 L228 C232 I234 L607	L152-V156 WeakPolarHBondContact O-CG2 3.32Å; L152-V156 PolarHBondContact O-N 2.63Å; L153-V156 PolarHBondContact O-N 3.39Å; S154-V156 VanDerWaalsContact C-N 3.33Å; S154-V156 PolarHBondContact O-N 2.86Å; V156-R166 WeakPolarHBondContact O-CD 3.34Å; V156-R166 WeakPolarHBondContact O-CG 3.43Å; V156-T169 WeakPolarHBondContact CG1-OG1 3.38Å; V156-Y227 HydrophobicContact CG1-CE1 4.31Å; V156-Y227 PolarHBondContact O-OH 3.09Å; V156-L228 HydrophobicContact CG1-CD2 4.47Å; V156-L228 HydrophobicContact CG2-CD2 3.47Å; V156-L228 VanDerWaalsContact CG2-CD2 3.47Å; V156-C232 HydrophobicContact CG2-CB 4.46Å; V156-I234 HydrophobicContact CG2-CD1 3.75Å; V156-L607 HydrophobicContact CG2-CD2 3.86Å
157	R	96.1	Very high	96.7	Very high	78 Å²	78	53.8 Å²	53.8	29%	0.294	28%	0.28	S	S	.	.	H	α-helix	trans	-86.8	-36.9	171.5	173	-179.3	65.9	-152.8	1.6	112.4	L153 S154 C155 L172	L153-R157 PolarHBondContact O-N 3.37Å; L153-R157 VanDerWaalsContact O-N 3.1Å; S154-R157 WeakPolarHBondContact O-CA 3.34Å; S154-R157 WeakPolarHBondContact O-CB 3.38Å; S154-R157 PolarHBondContact O-N 2.92Å; C155-R157 PolarHBondContact O-N 3.43Å; R157-L172 WeakPolarHBondContact CD-O 3.25Å; R157-L172 PolarHBondContact NH1-O 3.49Å
158	E	96.1	Very high	96.8	Very high	111 Å²	111	53 Å²	53	52%	0.519	27%	0.274	S	S	.	.	H	α-helix	trans	-100	-28.1	-164.7	-74.9	145.5	-145.9	0	0	114.4	S154 C155 A160	S154-E158 WeakPolarHBondContact O-CB 3.45Å; S154-E158 WeakPolarHBondContact O-CG 3.36Å; S154-E158 PolarHBondContact O-N 3.48Å; C155-E158 PolarHBondContact O-N 3.11Å; C155-E158 VanDerWaalsContact O-N 3.12Å; E158-A160 PolarHBondContact O-N 3.14Å
159	S	95.8	Very high	96.9	Very high	29 Å²	29	50.4 Å²	50.4	20%	0.203	26%	0.261	C	S	.	.	S	Bend	trans	-66	119	174.3	-81.4	0	0	0	0	111	C155 Y227 K231	C155-S159 VanDerWaalsContact O-CB 3.31Å; C155-S159 WeakPolarHBondContact O-CB 3.49Å; C155-S159 PolarHBondContact O-N 3.44Å; C155-S159 PolarHBondContact O-OG 2.9Å; C155-S159 PolarHBondContact SG-OG 3.49Å; C155-S159 VanDerWaalsContact SG-OG 3.37Å; S159-Y227 WeakPolarHBondContact O-CE2 3.42Å; S159-Y227 PolarHBondContact O-OH 2.72Å; S159-K231 WeakPolarHBondContact CB-O 3.5Å; S159-K231 PolarHBondContact OG-O 2.9Å
160	A	95.7	Very high	97	Very high	47 Å²	47	50.3 Å²	50.3	39%	0.388	26%	0.261	S	S	.	.	S	Bend	trans	44.9	65.1	175.2	0	0	0	0	0	113.1	E158 D162 D163 K231	E158-A160 PolarHBondContact O-N 3.14Å; A160-D162 PolarHBondContact O-N 3.16Å; A160-D162 VanDerWaalsContact O-N 3.07Å; A160-D163 HydrophobicContact CB-CB 4.21Å; A160-D163 WeakPolarHBondContact O-CB 3.48Å; A160-D163 PolarHBondContact O-N 3.13Å; A160-K231 HydrophobicContact CB-CB 4.38Å; A160-K231 HydrophobicContact CB-CD 4.32Å; A160-K231 HydrophobicContact CB-CG 4.33Å
161	P	94.1	Very high	97	Very high	65 Å²	65	50.6 Å²	50.6	42%	0.422	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-22.3	-165.8	26	-35.4	0	0	0	114	D163 R166	P161-D163 VanDerWaalsContact C-N 3.34Å; P161-R166 VanDerWaalsContact O-CZ 3.26Å; P161-R166 PolarHBondContact O-NE 3.04Å; P161-R166 PolarHBondContact O-NH2 3.13Å
162	D	95.6	Very high	97	Very high	157 Å²	157	45 Å²	45	84%	0.84	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.8	-6.3	176.2	-58.2	-58.2	0	0	0	113.9	A160	A160-D162 PolarHBondContact O-N 3.16Å; A160-D162 VanDerWaalsContact O-N 3.07Å
163	D	96.8	Very high	96.9	Very high	30 Å²	30	47.8 Å²	47.8	16%	0.16	25%	0.252	C	S	.	.			trans	-64.3	122.6	178.4	-168.1	-52.8	0	0	0	110.4	A160 P161 F165 R166 Y227 K231	A160-D163 HydrophobicContact CB-CB 4.21Å; A160-D163 WeakPolarHBondContact O-CB 3.48Å; A160-D163 PolarHBondContact O-N 3.13Å; P161-D163 VanDerWaalsContact C-N 3.34Å; D163-F165 PolarHBondContact O-N 3.08Å; D163-F165 WeakPolarHBondContact OD1-CB 3.39Å; D163-F165 PolarHBondContact OD1-N 3.13Å; D163-R166 VanDerWaalsContact O-CB 3.32Å; D163-R166 WeakPolarHBondContact O-CB 3.32Å; D163-R166 PolarHBondContact O-N 3.1Å; D163-Y227 HydrophobicContact CB-CD2 4.02Å; D163-Y227 HydrophobicContact CB-CE2 4.03Å; D163-K231 WeakPolarHBondContact OD2-CE 3.37Å
164	P	97	Very high	96.9	Very high	87 Å²	87	49.4 Å²	49.4	57%	0.565	26%	0.261	S	S	*	.	G	3₁₀ helix	trans	-64.7	-24.9	-176.6	27.2	-35.5	0	0	0	113	K167	P164-K167 PolarHBondContact O-N 3.38Å
165	F	98	Very high	96.9	Very high	39 Å²	39	51.4 Å²	51.4	17%	0.171	27%	0.27	C	S	.	.	G	3₁₀ helix	trans	-79.3	-17.8	-178.5	-62.7	-9.3	0	0	0	112.9	D163 K167 K168 Q223 H226 W754 L757	D163-F165 PolarHBondContact O-N 3.08Å; D163-F165 WeakPolarHBondContact OD1-CB 3.39Å; D163-F165 PolarHBondContact OD1-N 3.13Å; F165-K167 PolarHBondContact O-N 3.35Å; F165-K167 VanDerWaalsContact O-N 3.11Å; F165-K168 WeakPolarHBondContact O-CB 3.36Å; F165-K168 PolarHBondContact O-N 3.36Å; F165-Q223 HydrophobicContact CB-CB 4.16Å; F165-Q223 WeakPolarHBondContact CB-O 3.2Å; F165-Q223 HydrophobicContact CD1-CB 3.84Å; F165-Q223 HydrophobicContact CD1-CG 3.73Å; F165-Q223 HydrophobicContact CD2-CB 4.07Å; F165-Q223 HydrophobicContact CD2-CG 4.21Å; F165-Q223 HydrophobicContact CE1-CB 4.27Å; F165-Q223 HydrophobicContact CE1-CG 3.64Å; F165-Q223 HydrophobicContact CE2-CB 4.47Å; F165-Q223 HydrophobicContact CE2-CG 4.12Å; F165-Q223 HydrophobicContact CG-CB 3.76Å; F165-Q223 HydrophobicContact CG-CG 4.05Å; F165-Q223 HydrophobicContact CZ-CG 3.85Å; F165-H226 AromaticContact CD2-CD2 3.93Å; F165-W754 HydrophobicContact CE2-CZ3 4.2Å; F165-L757 HydrophobicContact CE2-CD1 4.19Å
166	R	97.5	Very high	96.9	Very high	56 Å²	56	51.2 Å²	51.2	21%	0.211	27%	0.266	C	S	.	.	G	3₁₀ helix	trans	-49.8	-37.8	168.6	-175.6	171.1	66.3	101.2	-14	111.8	V156 P161 D163 K168 T169 Q171 Y227	V156-R166 WeakPolarHBondContact O-CD 3.34Å; V156-R166 WeakPolarHBondContact O-CG 3.43Å; P161-R166 VanDerWaalsContact O-CZ 3.26Å; P161-R166 PolarHBondContact O-NE 3.04Å; P161-R166 PolarHBondContact O-NH2 3.13Å; D163-R166 VanDerWaalsContact O-CB 3.32Å; D163-R166 WeakPolarHBondContact O-CB 3.32Å; D163-R166 PolarHBondContact O-N 3.1Å; R166-K168 PolarHBondContact O-N 2.83Å; R166-K168 VanDerWaalsContact O-N 3.1Å; R166-T169 PolarHBondContact O-N 3.46Å; R166-T169 PolarHBondContact O-OG1 2.99Å; R166-Q171 PolarHBondContact O-NE2 3.02Å; R166-Y227 HydrophobicContact CB-CD1 4.37Å; R166-Y227 HydrophobicContact CB-CD2 4.1Å; R166-Y227 HydrophobicContact CB-CE1 3.94Å; R166-Y227 HydrophobicContact CB-CE2 3.67Å; R166-Y227 HydrophobicContact CB-CG 4.45Å; R166-Y227 VanDerWaalsContact CD-OH 3.27Å; R166-Y227 WeakPolarHBondContact CD-OH 3.45Å; R166-Y227 HydrophobicContact CG-CE1 3.81Å; R166-Y227 HydrophobicContact CG-CE2 4.14Å; R166-Y227 WeakPolarHBondContact CG-OH 3.37Å
167	K	96.6	Very high	96.9	Very high	135 Å²	135	58 Å²	58	59%	0.587	29%	0.292	S	S	*	.	G	3₁₀ helix	trans	-63.5	-13.8	179.1	-62.6	-177.8	-179.7	178.3	0	114.5	P164 F165 T169 K603	P164-K167 PolarHBondContact O-N 3.38Å; F165-K167 PolarHBondContact O-N 3.35Å; F165-K167 VanDerWaalsContact O-N 3.11Å; K167-T169 VanDerWaalsContact C-N 3.33Å; K167-K603 VanDerWaalsContact O-CD 3.29Å; K167-K603 WeakPolarHBondContact O-CD 3.39Å; K167-K603 WeakPolarHBondContact O-CE 3.43Å; K167-K603 PolarHBondContact O-NZ 2.87Å
168	K	98.3	Very high	96.8	Very high	28 Å²	28	55.1 Å²	55.1	12%	0.122	28%	0.283	C	S	.	.	G	3₁₀ helix	trans	-91.9	8.9	175.1	-55.1	-54.9	-177.9	178.6	0	113.4	F165 R166 Q220 Q223 E601 K603 I604	F165-K168 WeakPolarHBondContact O-CB 3.36Å; F165-K168 PolarHBondContact O-N 3.36Å; R166-K168 PolarHBondContact O-N 2.83Å; R166-K168 VanDerWaalsContact O-N 3.1Å; K168-Q220 HydrophobicContact CD-CB 4.18Å; K168-Q220 HydrophobicContact CD-CG 4.22Å; K168-Q223 HydrophobicContact CB-CB 4.46Å; K168-Q223 HydrophobicContact CG-CB 4.07Å; K168-E601 IonicContact NZ-OE1 2.73Å; K168-E601 PolarHBondContact NZ-OE1 3.44Å; K168-K603 CarbonylContact O-C 3.22Å; K168-K603 WeakPolarHBondContact O-CA 3.29Å; K168-I604 PolarHBondContact O-N 3.08Å
169	T	98.2	Very high	96.8	Very high	1 Å²	1	54.4 Å²	54.4	1%	0.006	29%	0.291	C	S	.	.	B	Isolated β-bridge	trans	-118.6	147	166.9	64	0	0	0	0	109.6	V156 R166 K167 Q171 Y227 L228	V156-T169 WeakPolarHBondContact CG1-OG1 3.38Å; R166-T169 PolarHBondContact O-N 3.46Å; R166-T169 PolarHBondContact O-OG1 2.99Å; K167-T169 VanDerWaalsContact C-N 3.33Å; T169-Q171 PolarHBondContact O-NE2 3.35Å; T169-Q171 PolarHBondContact OG1-NE2 3.33Å; T169-Q171 VanDerWaalsContact OG1-NE2 3.11Å; T169-Y227 HydrophobicContact CG2-CD1 4.19Å; T169-L228 HydrophobicContact CG2-CD1 4.16Å; T169-L228 HydrophobicContact CG2-CD2 4.08Å; T169-L228 HydrophobicContact CG2-CG 3.93Å
170	V	97.6	Very high	96.6	Very high	11 Å²	11	54.1 Å²	54.1	7%	0.067	29%	0.292	C	S	.	.			trans	-63.6	134.2	178.3	69.1	0	0	0	0	111.3	L153 F190 E191 L193 I604 A605	L153-V170 HydrophobicContact CD2-CG1 4.25Å; V170-F190 HydrophobicContact CG2-CB 4.27Å; V170-F190 HydrophobicContact CG2-CD1 3.81Å; V170-F190 HydrophobicContact CG2-CG 4.29Å; V170-E191 HydrophobicContact CG2-CG 4.49Å; V170-L193 HydrophobicContact CB-CD1 4.37Å; V170-L193 HydrophobicContact CG2-CD1 3.92Å; V170-I604 PolarHBondContact N-O 2.98Å; V170-A605 HydrophobicContact CB-CB 4.29Å; V170-A605 HydrophobicContact CG1-CB 4.09Å
171	Q	97.2	Very high	96.5	Very high	21 Å²	21	56.8 Å²	56.8	10%	0.098	30%	0.303	C	S	.	.			trans	-101.5	124.3	-174.3	-59.4	-62.7	-70.6	0	0	112.7	R166 T169 L173 E191	R166-Q171 PolarHBondContact O-NE2 3.02Å; T169-Q171 PolarHBondContact O-NE2 3.35Å; T169-Q171 PolarHBondContact OG1-NE2 3.33Å; T169-Q171 VanDerWaalsContact OG1-NE2 3.11Å; Q171-L173 HydrophobicContact CB-CD2 4.36Å; Q171-L173 PolarHBondContact O-N 3.28Å; Q171-E191 PolarHBondContact N-OE1 3.38Å
172	L	97.7	Very high	96.6	Very high	1 Å²	1	54.3 Å²	54.3	1%	0.005	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	113.6	172.3	179.4	68.9	0	0	0	110.7	I150 L153 R157 M188 F190	I150-L172 HydrophobicContact CG1-CD2 4.34Å; I150-L172 HydrophobicContact CG2-CD2 4.22Å; L153-L172 HydrophobicContact CB-CB 3.89Å; L153-L172 HydrophobicContact CB-CD2 3.8Å; L153-L172 HydrophobicContact CB-CG 4.44Å; L153-L172 HydrophobicContact CD1-CB 4.4Å; L153-L172 HydrophobicContact CD1-CD2 4.35Å; R157-L172 WeakPolarHBondContact CD-O 3.25Å; R157-L172 PolarHBondContact NH1-O 3.49Å; L172-M188 HydrophobicContact CD1-CB 3.8Å; L172-M188 HydrophobicContact CD1-CG 4.06Å; L172-F190 HydrophobicContact CB-CD1 4.47Å; L172-F190 HydrophobicContact CB-CE1 4.15Å; L172-F190 HydrophobicContact CD1-CD1 4.44Å; L172-F190 HydrophobicContact CD1-CE1 3.98Å; L172-F190 HydrophobicContact CD1-CZ 4.12Å
173	L	96.8	Very high	96.5	Very high	61 Å²	61	48.2 Å²	48.2	32%	0.319	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	-33.1	-172.5	-53.6	-177.1	0	0	0	113.8	V131 Q171 I189	V131-L173 HydrophobicContact CG1-CD1 4Å; Q171-L173 HydrophobicContact CB-CD2 4.36Å; Q171-L173 PolarHBondContact O-N 3.28Å; L173-I189 HydrophobicContact CB-CG2 4.3Å; L173-I189 WeakPolarHBondContact CB-O 3.49Å; L173-I189 PolarHBondContact N-O 3.1Å
174	D	97.2	Very high	96.5	Very high	35 Å²	35	51 Å²	51	19%	0.187	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-163.6	154.8	-179.6	-163.8	10.2	0	0	0	108.6	R104 Y105 I189	R104-D174 IonicContact CZ-OD2 2.67Å; R104-D174 IonicContact NH1-OD2 2.66Å; R104-D174 PolarHBondContact NH1-OD2 3.27Å; Y105-D174 HydrophobicContact CE2-CB 4.41Å; Y105-D174 WeakPolarHBondContact CE2-OD2 3.29Å; Y105-D174 WeakPolarHBondContact OH-CB 3.49Å; Y105-D174 PolarHBondContact OH-OD2 2.99Å; Y105-D174 VanDerWaalsContact OH-OD2 3.04Å; D174-I189 HydrophobicContact CB-CB 3.99Å; D174-I189 HydrophobicContact CB-CG1 4.02Å; D174-I189 WeakPolarHBondContact O-CB 3.44Å; D174-I189 PolarHBondContact O-N 2.89Å
175	D	97.3	Very high	96.6	Very high	63 Å²	63	47 Å²	47	34%	0.337	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	148.6	170.9	84.1	-95.4	0	0	0	111.4	I150 C187	I150-D175 HydrophobicContact CD1-CB 4.04Å; D175-C187 WeakPolarHBondContact CA-O 3.22Å
176	F	97.8	Very high	96.6	Very high	21 Å²	21	45.1 Å²	45.1	9%	0.092	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.5	170.2	178.9	56.4	-89.1	0	0	0	111.9	N102 Y105 M133 V178 C187 I189	N102-F176 HydrophobicContact CB-CD1 3.89Å; N102-F176 HydrophobicContact CB-CD2 4.08Å; N102-F176 HydrophobicContact CB-CE1 3.9Å; N102-F176 HydrophobicContact CB-CE2 4.1Å; N102-F176 HydrophobicContact CB-CG 3.99Å; N102-F176 HydrophobicContact CB-CZ 4.02Å; Y105-F176 AromaticContact CD2-CE1 3.59Å; Y105-F176 HydrophobicContact CD2-CE1 3.59Å; Y105-F176 HydrophobicContact CD2-CZ 4Å; Y105-F176 HydrophobicContact CE2-CD1 4.41Å; Y105-F176 AromaticContact CE2-CE1 3.71Å; Y105-F176 HydrophobicContact CE2-CE1 3.71Å; M133-F176 HydrophobicContact SD-CZ 4.15Å; F176-V178 HydrophobicContact CD2-CG2 3.84Å; F176-V178 HydrophobicContact CE2-CG2 3.62Å; F176-C187 HydrophobicContact CD1-CB 4.44Å; F176-C187 HydrophobicContact CD2-CB 3.84Å; F176-C187 HydrophobicContact CE1-CB 4.18Å; F176-C187 HydrophobicContact CE2-CB 3.52Å; F176-C187 HydrophobicContact CG-CB 4.27Å; F176-C187 HydrophobicContact CZ-CB 3.71Å; F176-C187 PolarHBondContact N-O 3.2Å; F176-C187 WeakPolarHBondContact O-CB 3.17Å; F176-C187 PolarHBondContact O-N 3.39Å; F176-I189 HydrophobicContact CE1-CD1 3.83Å; F176-I189 HydrophobicContact CE1-CG1 3.8Å; F176-I189 HydrophobicContact CZ-CD1 4.28Å
177	R	97.1	Very high	96.6	Very high	141 Å²	141	42.5 Å²	42.5	53%	0.532	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	147.4	175.2	-62.2	-176.1	-172.3	-120	10.6	111.9	L147 H185	L147-R177 VanDerWaalsContact CD1-NH2 3.3Å; L147-R177 VanDerWaalsContact CD2-NH2 3.32Å; R177-H185 CarbonylContact C-O 3.48Å; R177-H185 WeakPolarHBondContact CA-O 3.44Å
178	V	95.4	Very high	96.7	Very high	18 Å²	18	36 Å²	36	11%	0.109	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	117.3	178.2	173.3	0	0	0	0	109.9	H93 Y101 F176 G180 N184 H185 C187	H93-V178 WeakPolarHBondContact NE2-CG1 3.45Å; Y101-V178 HydrophobicContact CD1-CG1 4.29Å; Y101-V178 HydrophobicContact CD1-CG2 3.73Å; Y101-V178 HydrophobicContact CE1-CG1 3.92Å; Y101-V178 HydrophobicContact CE1-CG2 4.1Å; F176-V178 HydrophobicContact CD2-CG2 3.84Å; F176-V178 HydrophobicContact CE2-CG2 3.62Å; V178-G180 PolarHBondContact O-N 3.31Å; V178-N184 WeakPolarHBondContact O-CA 3.39Å; V178-H185 PolarHBondContact N-O 2.99Å; V178-H185 PolarHBondContact O-N 2.92Å; V178-C187 WeakPolarHBondContact CG2-SG 3.33Å
179	S	95.8	Very high	96.7	Very high	97 Å²	97	34.7 Å²	34.7	68%	0.678	20%	0.197	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-76	112.3	166.2	-56.4	0	0	0	0	110.2	N184	S179-N184 WeakPolarHBondContact CA-OD1 3.42Å; S179-N184 WeakPolarHBondContact CB-OD1 3.36Å; S179-N184 PolarHBondContact OG-OD1 2.82Å
180	G	91.8	Very high	96.7	Very high	22 Å²	22	35.6 Å²	35.6	23%	0.227	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	178.6	174.6	0	0	0	0	0	112.8	H93 V178 N182 G183	H93-G180 WeakPolarHBondContact CE1-CA 3.2Å; H93-G180 WeakPolarHBondContact NE2-CA 3.38Å; V178-G180 PolarHBondContact O-N 3.31Å; G180-N182 PolarHBondContact O-N 3Å; G180-N182 VanDerWaalsContact O-N 3.14Å; G180-G183 PolarHBondContact N-O 2.88Å; G180-G183 PolarHBondContact O-N 2.96Å
181	V	93	Very high	96.7	Very high	103 Å²	103	36.5 Å²	36.5	62%	0.624	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.5	-21.9	175.7	-66	0	0	0	0	113.5	P94	P94-V181 HydrophobicContact CG-CG2 3.85Å
182	N	94.9	Very high	96.6	Very high	14 Å²	14	36 Å²	36	8%	0.075	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.8	2.6	-176.3	-71.1	-14.4	0	0	0	113.3	Y87 C88 G90 Y92 S138 G180	Y87-N182 PolarHBondContact O-ND2 3.37Å; Y87-N182 PolarHBondContact O-OD1 2.97Å; C88-N182 VanDerWaalsContact C-CG 3.41Å; C88-N182 WeakPolarHBondContact O-CB 3.38Å; C88-N182 PolarHBondContact O-ND2 2.52Å; C88-N182 PolarHBondContact O-OD1 3.39Å; G90-N182 PolarHBondContact N-O 2.84Å; Y92-N182 PolarHBondContact O-ND2 3.04Å; S138-N182 PolarHBondContact OG-O 3.02Å; G180-N182 PolarHBondContact O-N 3Å; G180-N182 VanDerWaalsContact O-N 3.14Å
183	G	95.5	Very high	96.6	Very high	29 Å²	29	37 Å²	37	30%	0.299	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	124.9	-163.8	-178.6	0	0	0	0	0	113	G180 H185	G180-G183 PolarHBondContact N-O 2.88Å; G180-G183 PolarHBondContact O-N 2.96Å; G183-H185 PolarHBondContact O-CD2 3.2Å; G183-H185 VanDerWaalsContact O-CD2 3.31Å
184	N	96.6	Very high	96.4	Very high	89 Å²	89	35 Å²	35	48%	0.476	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	123.7	174.2	-70.9	-25.4	0	0	0	109.6	S138 V178 S179	S138-N184 WeakPolarHBondContact CA-O 3.41Å; S138-N184 VanDerWaalsContact CB-O 3.3Å; S138-N184 WeakPolarHBondContact CB-O 3.41Å; V178-N184 WeakPolarHBondContact O-CA 3.39Å; S179-N184 WeakPolarHBondContact CA-OD1 3.42Å; S179-N184 WeakPolarHBondContact CB-OD1 3.36Å; S179-N184 PolarHBondContact OG-OD1 2.82Å
185	H	97.8	Very high	96.1	Very high	1 Å²	1	38.9 Å²	38.9	1%	0.005	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	139.3	179.9	-56.7	-90	0	0	0	110.1	G91 H93 V135 V136 S138 R177 V178 G183	G91-H185 PolarHBondContact O-CE1 2.83Å; G91-H185 VanDerWaalsContact O-CE1 3.31Å; H93-H185 HydrophobicContact CB-CB 4.48Å; H93-H185 AromaticContact CE1-CD2 2.49Å; H93-H185 PolarHBondContact CE1-CD2 3.22Å; H93-H185 AromaticContact CE1-CE1 3.44Å; H93-H185 PolarHBondContact CE1-CE1 3.24Å; H93-H185 VanDerWaalsContact CE1-CE1 3.44Å; H93-H185 AromaticContact CE1-CG 3.51Å; H93-H185 AromaticContact CE1-ND1 3.98Å; H93-H185 AromaticContact CE1-NE2 2.41Å; H93-H185 PolarHBondContact CE1-NE2 2.88Å; H93-H185 AromaticContact CG-CD2 3.75Å; H93-H185 AromaticContact CG-NE2 3.86Å; H93-H185 PolarHBondContact N-CE1 2.84Å; H93-H185 AromaticContact ND1-CD2 3.23Å; H93-H185 PolarHBondContact ND1-CD2 3.29Å; H93-H185 AromaticContact ND1-NE2 3.32Å; H93-H185 PolarHBondContact ND1-NE2 3.01Å; V135-H185 HydrophobicContact CG1-CB 4.13Å; V136-H185 PolarHBondContact O-ND1 2.96Å; S138-H185 VanDerWaalsContact CB-CE1 3.45Å; S138-H185 WeakPolarHBondContact CB-CE1 3.18Å; S138-H185 PolarHBondContact OG-CE1 3.33Å; R177-H185 CarbonylContact C-O 3.48Å; R177-H185 WeakPolarHBondContact CA-O 3.44Å; V178-H185 PolarHBondContact N-O 2.99Å; V178-H185 PolarHBondContact O-N 2.92Å; G183-H185 PolarHBondContact O-CD2 3.2Å; G183-H185 VanDerWaalsContact O-CD2 3.31Å
186	V	97.9	Very high	96	Very high	1 Å²	1	37.9 Å²	37.9	1%	0.006	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	133.9	168	179.7	0	0	0	0	108.8	V136 T143 A146 I150 M188	V136-V186 HydrophobicContact CB-CB 4.44Å; V136-V186 HydrophobicContact CG2-CB 4.4Å; V136-V186 PolarHBondContact N-O 2.96Å; T143-V186 HydrophobicContact CG2-CG2 4.01Å; A146-V186 HydrophobicContact CB-CB 4.19Å; A146-V186 HydrophobicContact CB-CG1 4.17Å; A146-V186 HydrophobicContact CB-CG2 4.39Å; I150-V186 HydrophobicContact CD1-CG1 3.56Å; V186-M188 HydrophobicContact CG1-CG 4.48Å
187	C	98.2	Very high	95.9	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	123.2	175.7	-63.9	0	0	0	0	109.1	K134 D175 F176 V178	K134-C187 WeakPolarHBondContact O-CA 3.43Å; D175-C187 WeakPolarHBondContact CA-O 3.22Å; F176-C187 HydrophobicContact CD1-CB 4.44Å; F176-C187 HydrophobicContact CD2-CB 3.84Å; F176-C187 HydrophobicContact CE1-CB 4.18Å; F176-C187 HydrophobicContact CE2-CB 3.52Å; F176-C187 HydrophobicContact CG-CB 4.27Å; F176-C187 HydrophobicContact CZ-CB 3.71Å; F176-C187 PolarHBondContact N-O 3.2Å; F176-C187 WeakPolarHBondContact O-CB 3.17Å; F176-C187 PolarHBondContact O-N 3.39Å; V178-C187 WeakPolarHBondContact CG2-SG 3.33Å
188	M	98.4	Very high	95.8	Very high	0 Å²	0	32 Å²	32	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	137.4	174.6	-70.5	171.1	-87.2	0	0	109.7	M133 K134 V136 A146 E149 I150 L153 L172 V186 F190	M133-M188 CarbonylContact C-O 3.55Å; M133-M188 WeakPolarHBondContact CA-O 3.37Å; K134-M188 HydrophobicContact CB-CB 4.41Å; K134-M188 HydrophobicContact CD-CE 3.85Å; K134-M188 HydrophobicContact CG-CE 4.23Å; K134-M188 PolarHBondContact N-O 3.36Å; K134-M188 PolarHBondContact O-N 3.32Å; V136-M188 HydrophobicContact CG2-CE 3.69Å; A146-M188 HydrophobicContact CB-CE 4.2Å; E149-M188 HydrophobicContact CG-SD 4.49Å; I150-M188 HydrophobicContact CD1-CG 3.8Å; I150-M188 HydrophobicContact CD1-SD 4.19Å; I150-M188 HydrophobicContact CG1-CG 3.7Å; I150-M188 HydrophobicContact CG1-SD 3.66Å; L153-M188 HydrophobicContact CD1-SD 4.1Å; L172-M188 HydrophobicContact CD1-CB 3.8Å; L172-M188 HydrophobicContact CD1-CG 4.06Å; V186-M188 HydrophobicContact CG1-CG 4.48Å; M188-F190 HydrophobicContact CB-CD2 4.32Å; M188-F190 HydrophobicContact CB-CE2 3.48Å; M188-F190 VanDerWaalsContact CB-CE2 3.48Å; M188-F190 HydrophobicContact CB-CZ 3.78Å; M188-F190 HydrophobicContact CG-CZ 4.47Å; M188-F190 HydrophobicContact SD-CE2 4.45Å; M188-F190 HydrophobicContact SD-CZ 4.07Å
189	I	98.2	Very high	95.6	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	124.8	-179.5	-53.5	-64.4	0	0	0	109.7	Y105 V131 A132 M133 L173 D174 F176	Y105-I189 HydrophobicContact CD1-CD1 4.33Å; Y105-I189 HydrophobicContact CD2-CD1 3.96Å; Y105-I189 HydrophobicContact CD2-CG1 4.2Å; Y105-I189 HydrophobicContact CE1-CD1 4.36Å; Y105-I189 HydrophobicContact CE1-CG1 4.3Å; Y105-I189 HydrophobicContact CE1-CG2 3.84Å; Y105-I189 HydrophobicContact CE2-CD1 3.99Å; Y105-I189 HydrophobicContact CE2-CG1 3.7Å; Y105-I189 HydrophobicContact CG-CD1 4.11Å; V131-I189 HydrophobicContact CB-CG2 3.69Å; V131-I189 HydrophobicContact CG1-CG2 4.11Å; V131-I189 HydrophobicContact CG2-CG2 3.72Å; A132-I189 CarbonylContact O-C 3.6Å; A132-I189 WeakPolarHBondContact O-CA 3.45Å; M133-I189 HydrophobicContact CB-CD1 3.64Å; M133-I189 HydrophobicContact CG-CD1 3.57Å; M133-I189 HydrophobicContact SD-CD1 4.2Å; L173-I189 HydrophobicContact CB-CG2 4.3Å; L173-I189 WeakPolarHBondContact CB-O 3.49Å; L173-I189 PolarHBondContact N-O 3.1Å; D174-I189 HydrophobicContact CB-CB 3.99Å; D174-I189 HydrophobicContact CB-CG1 4.02Å; D174-I189 WeakPolarHBondContact O-CB 3.44Å; D174-I189 PolarHBondContact O-N 2.89Å; F176-I189 HydrophobicContact CE1-CD1 3.83Å; F176-I189 HydrophobicContact CE1-CG1 3.8Å; F176-I189 HydrophobicContact CZ-CD1 4.28Å
190	F	98.2	Very high	95.5	Very high	19 Å²	19	30.4 Å²	30.4	8%	0.083	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	167.9	-179.6	-59.2	-81	0	0	0	111.2	V131 A132 K134 L153 V170 L172 M188	V131-F190 CarbonylContact C-O 3.51Å; V131-F190 WeakPolarHBondContact CA-O 3.25Å; V131-F190 WeakPolarHBondContact CB-O 3.36Å; A132-F190 HydrophobicContact CB-CB 4.47Å; A132-F190 PolarHBondContact N-O 3Å; A132-F190 PolarHBondContact O-N 3.21Å; K134-F190 HydrophobicContact CB-CD2 4.31Å; K134-F190 HydrophobicContact CB-CE2 3.88Å; K134-F190 HydrophobicContact CD-CE2 4.04Å; L153-F190 HydrophobicContact CD1-CE1 3.66Å; L153-F190 HydrophobicContact CD1-CZ 3.67Å; L153-F190 HydrophobicContact CD2-CE1 4.07Å; V170-F190 HydrophobicContact CG2-CB 4.27Å; V170-F190 HydrophobicContact CG2-CD1 3.81Å; V170-F190 HydrophobicContact CG2-CG 4.29Å; L172-F190 HydrophobicContact CB-CD1 4.47Å; L172-F190 HydrophobicContact CB-CE1 4.15Å; L172-F190 HydrophobicContact CD1-CD1 4.44Å; L172-F190 HydrophobicContact CD1-CE1 3.98Å; L172-F190 HydrophobicContact CD1-CZ 4.12Å; M188-F190 HydrophobicContact CB-CD2 4.32Å; M188-F190 HydrophobicContact CB-CE2 3.48Å; M188-F190 VanDerWaalsContact CB-CE2 3.48Å; M188-F190 HydrophobicContact CB-CZ 3.78Å; M188-F190 HydrophobicContact CG-CZ 4.47Å; M188-F190 HydrophobicContact SD-CE2 4.45Å; M188-F190 HydrophobicContact SD-CZ 4.07Å
191	E	97	Very high	95.6	Very high	30 Å²	30	29.4 Å²	29.4	14%	0.14	16%	0.163	C	C	.	.			trans	-59.4	154	158.7	60.3	-169	149.4	0	0	111.5	V170 Q171 L193 K603	V170-E191 HydrophobicContact CG2-CG 4.49Å; Q171-E191 PolarHBondContact N-OE1 3.38Å; E191-L193 HydrophobicContact CG-CD2 4.35Å; E191-L193 HydrophobicContact CG-CG 4.24Å; E191-K603 WeakPolarHBondContact OE1-CD 3.33Å; E191-K603 IonicContact OE1-NZ 2.72Å; E191-K603 PolarHBondContact OE1-NZ 3.26Å; E191-K603 IonicContact OE2-NZ 3.66Å; E191-K603 PolarHBondContact OE2-NZ 3.35Å
192	V	97	Very high	95.6	Very high	10 Å²	10	27.7 Å²	27.7	6%	0.061	15%	0.15	C	C	.	.			trans	-81.4	124.2	175.8	-167.6	0	0	0	0	108.9	L111 L121 F130 I248 I253	L111-V192 HydrophobicContact CD1-CG1 4.28Å; L121-V192 HydrophobicContact CD1-CG1 4.06Å; L121-V192 HydrophobicContact CD1-CG2 3.75Å; F130-V192 HydrophobicContact CB-CG2 3.91Å; V192-I248 HydrophobicContact CG1-CD1 4.08Å; V192-I253 HydrophobicContact CB-CD1 3.87Å; V192-I253 HydrophobicContact CB-CG1 4.36Å; V192-I253 HydrophobicContact CG1-CD1 4.24Å; V192-I253 HydrophobicContact CG1-CG1 4.2Å
193	L	96	Very high	95.4	Very high	22 Å²	22	32.8 Å²	32.8	12%	0.115	17%	0.168	C	C	.	.			trans	-118.3	165.2	172.2	-60.7	172.9	0	0	0	109.3	V170 E191 L245 K603	V170-L193 HydrophobicContact CB-CD1 4.37Å; V170-L193 HydrophobicContact CG2-CD1 3.92Å; E191-L193 HydrophobicContact CG-CD2 4.35Å; E191-L193 HydrophobicContact CG-CG 4.24Å; L193-L245 HydrophobicContact CB-CB 4.07Å; L193-L245 HydrophobicContact CB-CD1 4.1Å; L193-L245 HydrophobicContact CD1-CB 4.01Å; L193-L245 HydrophobicContact CD1-CD1 3.91Å; L193-K603 HydrophobicContact CD1-CB 4.35Å; L193-K603 HydrophobicContact CD1-CD 4.3Å; L193-K603 HydrophobicContact CD2-CD 4.15Å
194	G	92.9	Very high	95.3	Very high	21 Å²	21	32 Å²	32	22%	0.216	16%	0.158	C	C	.	.			trans	-88.9	-145.9	-179.3	0	0	0	0	0	113.4	V246	G194-V246 WeakPolarHBondContact CA-O 3.46Å; G194-V246 PolarHBondContact N-O 2.72Å
195	H	91.4	Very high	95.1	Very high	116 Å²	116	33.9 Å²	33.9	54%	0.537	16%	0.164	S	C	.	.			trans	-72.8	158.6	179.2	-59.2	121.9	0	0	0	112.5	K199 V246	H195-K199 HydrophobicContact CB-CB 4.09Å; H195-K199 HydrophobicContact CB-CD 4.18Å; H195-V246 WeakPolarHBondContact O-CG2 3.31Å; H195-V246 PolarHBondContact O-N 3.01Å
196	N	94.4	Very high	94.9	Very high	41 Å²	41	37.3 Å²	37.3	22%	0.219	18%	0.178	C	C	.	.	B	Isolated β-bridge	trans	-78.4	164.7	168.5	64.7	13.1	0	0	0	112.1	L198 K199 E242 I244 L245	N196-L198 PolarHBondContact O-N 2.88Å; N196-K199 PolarHBondContact O-N 2.74Å; N196-K199 PolarHBondContact OD1-N 3.27Å; N196-E242 WeakPolarHBondContact CB-O 3.4Å; N196-E242 WeakPolarHBondContact ND2-CA 3.4Å; N196-E242 PolarHBondContact ND2-O 3.26Å; N196-I244 VanDerWaalsContact CA-O 3.28Å; N196-I244 WeakPolarHBondContact CA-O 3.26Å; N196-L245 HydrophobicContact CB-CD2 3.72Å
197	L	96.6	Very high	94.7	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-65.9	-25.8	-178.8	-59.2	179.8	0	0	0	113.2	K199 L200 I201 I217 P241 I244 V246 V602 L653	L197-K199 VanDerWaalsContact C-N 3.26Å; L197-K199 PolarHBondContact O-N 3.06Å; L197-L200 HydrophobicContact CD2-CD1 3.97Å; L197-L200 WeakPolarHBondContact O-CA 3.27Å; L197-L200 WeakPolarHBondContact O-CB 3.13Å; L197-L200 PolarHBondContact O-N 3.5Å; L197-I201 PolarHBondContact O-N 3.12Å; L197-I217 HydrophobicContact CD1-CG2 3.48Å; L197-I217 VanDerWaalsContact CD1-CG2 3.48Å; L197-I217 HydrophobicContact CD2-CD1 3.93Å; L197-I217 HydrophobicContact CD2-CG1 4.4Å; L197-I217 HydrophobicContact CD2-CG2 4.5Å; L197-P241 HydrophobicContact CB-CB 3.99Å; L197-P241 WeakPolarHBondContact CB-O 3.49Å; L197-P241 PolarHBondContact N-O 2.72Å; L197-I244 HydrophobicContact CD1-CB 3.67Å; L197-I244 HydrophobicContact CD1-CG1 4.3Å; L197-I244 HydrophobicContact CD1-CG2 3.64Å; L197-I244 HydrophobicContact CG-CB 3.98Å; L197-I244 HydrophobicContact CG-CG2 4Å; L197-I244 PolarHBondContact N-O 2.7Å; L197-V246 HydrophobicContact CD2-CG2 3.8Å; L197-V602 HydrophobicContact CD2-CG1 4.22Å; L197-L653 HydrophobicContact CB-CD2 4.09Å; L197-L653 HydrophobicContact CD1-CD1 3.96Å; L197-L653 HydrophobicContact CD1-CD2 4.04Å
198	L	94.2	Very high	94.5	Very high	39 Å²	39	46.7 Å²	46.7	20%	0.204	21%	0.214	C	C	.	.	H	α-helix	trans	-58	-38.7	173.3	-179.4	60.5	0	0	0	111.7	N196 L200 I201 I202 P241 E242	N196-L198 PolarHBondContact O-N 2.88Å; L198-L200 PolarHBondContact O-N 3.22Å; L198-I201 PolarHBondContact O-N 2.77Å; L198-I202 HydrophobicContact CD1-CD1 4.22Å; L198-I202 HydrophobicContact CD1-CG1 4.31Å; L198-I202 HydrophobicContact CG-CD1 3.93Å; L198-I202 HydrophobicContact CG-CG1 4.49Å; L198-I202 WeakPolarHBondContact O-CB 3.48Å; L198-I202 VanDerWaalsContact O-CG1 3.28Å; L198-I202 WeakPolarHBondContact O-CG1 3.27Å; L198-I202 PolarHBondContact O-N 2.9Å; L198-P241 HydrophobicContact CB-CB 4.2Å; L198-P241 PolarHBondContact N-O 3.09Å; L198-E242 HydrophobicContact CB-CG 4.06Å; L198-E242 HydrophobicContact CD2-CG 3.6Å; L198-E242 HydrophobicContact CG-CG 4.45Å
199	K	92.1	Very high	94.4	Very high	67 Å²	67	47.2 Å²	47.2	29%	0.291	22%	0.217	S	C	.	.	H	α-helix	trans	-65.3	-21.8	172.8	-78.8	-167.7	172.6	-170	0	113.1	D77 D79 H195 N196 L197 R203	D77-K199 IonicContact OD1-NZ 2.66Å; D79-K199 IonicContact OD1-NZ 3.2Å; D79-K199 IonicContact OD2-NZ 2.98Å; D79-K199 PolarHBondContact OD2-NZ 2.95Å; H195-K199 HydrophobicContact CB-CB 4.09Å; H195-K199 HydrophobicContact CB-CD 4.18Å; N196-K199 PolarHBondContact O-N 2.74Å; N196-K199 PolarHBondContact OD1-N 3.27Å; L197-K199 VanDerWaalsContact C-N 3.26Å; L197-K199 PolarHBondContact O-N 3.06Å; K199-R203 WeakPolarHBondContact O-CB 3.28Å; K199-R203 PolarHBondContact O-N 3.35Å
200	L	92.7	Very high	94.3	Very high	15 Å²	15	48.4 Å²	48.4	8%	0.079	23%	0.225	C	C	.	.	H	α-helix	trans	-78.8	-43.9	170	-65.6	-179.8	0	0	0	112.6	L197 L198 I202 R203 S204 V246 A593 I600	L197-L200 HydrophobicContact CD2-CD1 3.97Å; L197-L200 WeakPolarHBondContact O-CA 3.27Å; L197-L200 WeakPolarHBondContact O-CB 3.13Å; L197-L200 PolarHBondContact O-N 3.5Å; L198-L200 PolarHBondContact O-N 3.22Å; L200-I202 VanDerWaalsContact C-N 3.29Å; L200-I202 PolarHBondContact O-N 3.3Å; L200-R203 WeakPolarHBondContact O-CA 3.31Å; L200-R203 PolarHBondContact O-N 3.23Å; L200-S204 PolarHBondContact O-N 3.44Å; L200-V246 HydrophobicContact CD1-CG2 4.17Å; L200-A593 HydrophobicContact CD1-CB 4.35Å; L200-A593 HydrophobicContact CD2-CB 4.39Å; L200-I600 HydrophobicContact CD1-CD1 3.95Å
201	I	94	Very high	94.1	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-60	-41.2	176.7	-62.2	167.5	0	0	0	110.7	L197 L198 R203 S204 Q205 Y206 P241 E652 L653	L197-I201 PolarHBondContact O-N 3.12Å; L198-I201 PolarHBondContact O-N 2.77Å; I201-R203 VanDerWaalsContact C-N 3.32Å; I201-R203 PolarHBondContact O-N 2.87Å; I201-S204 PolarHBondContact O-OG 2.7Å; I201-Q205 PolarHBondContact O-N 3.31Å; I201-Y206 HydrophobicContact CG2-CD1 3.69Å; I201-Y206 HydrophobicContact CG2-CE1 4.04Å; I201-Y206 HydrophobicContact CG2-CG 4.44Å; I201-Y206 PolarHBondContact O-N 3.15Å; I201-P241 HydrophobicContact CD1-CB 3.79Å; I201-P241 HydrophobicContact CD1-CG 3.74Å; I201-E652 HydrophobicContact CD1-CG 4.15Å; I201-L653 HydrophobicContact CD1-CD2 3.92Å; I201-L653 HydrophobicContact CG1-CD2 4.01Å
202	I	93	Very high	94	Very high	68 Å²	68	51.5 Å²	51.5	35%	0.349	24%	0.24	S	C	.	.	H	α-helix	trans	-62	-39.6	173	-69.4	167	0	0	0	111.1	L198 L200 Q205 Y206	L198-I202 HydrophobicContact CD1-CD1 4.22Å; L198-I202 HydrophobicContact CD1-CG1 4.31Å; L198-I202 HydrophobicContact CG-CD1 3.93Å; L198-I202 HydrophobicContact CG-CG1 4.49Å; L198-I202 WeakPolarHBondContact O-CB 3.48Å; L198-I202 VanDerWaalsContact O-CG1 3.28Å; L198-I202 WeakPolarHBondContact O-CG1 3.27Å; L198-I202 PolarHBondContact O-N 2.9Å; L200-I202 VanDerWaalsContact C-N 3.29Å; L200-I202 PolarHBondContact O-N 3.3Å; I202-Q205 PolarHBondContact O-N 3.25Å; I202-Q205 VanDerWaalsContact O-N 3.17Å; I202-Y206 HydrophobicContact CG1-CE2 4.46Å
203	R	91.1	Very high	94	Very high	121 Å²	121	51 Å²	51	46%	0.457	24%	0.237	S	C	.	.	H	α-helix	trans	-74.5	-32.6	-177.3	-168.2	161.8	61.7	133.7	-7.7	113.3	K199 L200 I201 Q205 D592 S594	K199-R203 WeakPolarHBondContact O-CB 3.28Å; K199-R203 PolarHBondContact O-N 3.35Å; L200-R203 WeakPolarHBondContact O-CA 3.31Å; L200-R203 PolarHBondContact O-N 3.23Å; I201-R203 VanDerWaalsContact C-N 3.32Å; I201-R203 PolarHBondContact O-N 2.87Å; R203-Q205 PolarHBondContact O-N 2.91Å; R203-D592 IonicContact CZ-OD1 2.57Å; R203-D592 IonicContact CZ-OD2 2.62Å; R203-D592 IonicContact NE-OD1 3.11Å; R203-D592 IonicContact NH1-OD1 3.86Å; R203-D592 PolarHBondContact NH1-OD1 3.04Å; R203-D592 VanDerWaalsContact NH1-OD1 3.12Å; R203-D592 IonicContact NH1-OD2 2.72Å; R203-D592 PolarHBondContact NH1-OD2 3.45Å; R203-D592 IonicContact NH2-OD1 3.06Å; R203-D592 PolarHBondContact NH2-OD1 3.16Å; R203-D592 VanDerWaalsContact NH2-OD1 3.09Å; R203-S594 WeakPolarHBondContact CG-OG 3.38Å
204	S	92.6	Very high	94.1	Very high	12 Å²	12	50 Å²	50	8%	0.084	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.2	0.3	168.7	78.9	0	0	0	0	113.9	L200 I201 R207 G208 S594	L200-S204 PolarHBondContact O-N 3.44Å; I201-S204 PolarHBondContact O-OG 2.7Å; S204-R207 WeakPolarHBondContact O-CB 3.49Å; S204-R207 WeakPolarHBondContact O-CD 3.35Å; S204-R207 WeakPolarHBondContact O-CG 3.42Å; S204-G208 WeakPolarHBondContact CB-O 3.4Å; S204-G208 PolarHBondContact OG-O 3.05Å; S204-S594 WeakPolarHBondContact CB-O 3.5Å
205	Q	93.2	Very high	94.3	Very high	129 Å²	129	52 Å²	52	60%	0.603	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	65.8	32.8	-179.1	-44.9	-178.7	11.1	0	0	114	I201 I202 R203	I201-Q205 PolarHBondContact O-N 3.31Å; I202-Q205 PolarHBondContact O-N 3.25Å; I202-Q205 VanDerWaalsContact O-N 3.17Å; R203-Q205 PolarHBondContact O-N 2.91Å
206	Y	94	Very high	94.5	Very high	73 Å²	73	48 Å²	48	29%	0.286	22%	0.218	S	C	.	.	S	Bend	trans	59	54	-175.1	-54.3	-92.5	0	0	0	112.2	I201 I202	I201-Y206 HydrophobicContact CG2-CD1 3.69Å; I201-Y206 HydrophobicContact CG2-CE1 4.04Å; I201-Y206 HydrophobicContact CG2-CG 4.44Å; I201-Y206 PolarHBondContact O-N 3.15Å; I202-Y206 HydrophobicContact CG1-CE2 4.46Å
207	R	93.9	Very high	94.7	Very high	193 Å²	193	46 Å²	46	73%	0.728	21%	0.207	S	C	*	.	S	Bend	trans	-120.3	9.6	175.8	-65.8	177.3	170.7	-100.6	9.7	113.6	S204 T655	S204-R207 WeakPolarHBondContact O-CB 3.49Å; S204-R207 WeakPolarHBondContact O-CD 3.35Å; S204-R207 WeakPolarHBondContact O-CG 3.42Å; R207-T655 CarbonylContact C-O 3.58Å
208	G	94.3	Very high	94.8	Very high	5 Å²	5	46 Å²	46	5%	0.052	21%	0.207	C	C	.	.			trans	76.3	-178	-161.7	0	0	0	0	0	112.2	S204 L653 T655 G656	S204-G208 WeakPolarHBondContact CB-O 3.4Å; S204-G208 PolarHBondContact OG-O 3.05Å; G208-L653 CarbonylContact C-O 3.58Å; G208-L653 WeakPolarHBondContact CA-O 3.49Å; G208-T655 VanDerWaalsContact N-C 3.27Å; G208-T655 PolarHBondContact N-O 3.4Å; G208-G656 VanDerWaalsContact N-N 3.17Å
209	I	96.1	Very high	95	Very high	11 Å²	11	48.1 Å²	48.1	6%	0.056	22%	0.215	C	C	.	.			trans	-128.3	165	170.8	67.2	175.9	0	0	0	108.9	L211 N213 V214 I217 L653	I209-L211 PolarHBondContact O-N 2.81Å; I209-N213 HydrophobicContact CD1-CB 4.21Å; I209-V214 HydrophobicContact CD1-CG2 4.28Å; I209-V214 HydrophobicContact CG1-CG2 3.59Å; I209-I217 HydrophobicContact CD1-CD1 3.67Å; I209-L653 HydrophobicContact CD1-CD2 4.21Å; I209-L653 PolarHBondContact N-O 3.27Å
210	P	95.6	Very high	95.3	Very high	25 Å²	25	45.6 Å²	45.6	16%	0.162	20%	0.204	C	C	.	.			trans	-52.8	134.8	-177.8	-28.2	36.1	0	0	0	113	E212 N213 V214 K595 P597	P210-E212 PolarHBondContact O-N 3.46Å; P210-E212 VanDerWaalsContact O-N 3.13Å; P210-N213 WeakPolarHBondContact O-CA 3.5Å; P210-N213 WeakPolarHBondContact O-CB 3.38Å; P210-N213 PolarHBondContact O-N 2.83Å; P210-V214 PolarHBondContact O-N 2.97Å; P210-K595 WeakPolarHBondContact CG-O 3.31Å; P210-P597 HydrophobicContact CB-CG 4.21Å
211	L	94.8	Very high	95.6	Very high	20 Å²	20	44.9 Å²	44.9	11%	0.105	20%	0.201	C	C	.	.	H	α-helix	trans	-65.1	-21.5	-171.7	-63	-172.5	0	0	0	113.3	I209 N213 V214 R215 A654 W727 E731	I209-L211 PolarHBondContact O-N 2.81Å; L211-N213 VanDerWaalsContact C-N 3.34Å; L211-V214 HydrophobicContact CD2-CG2 4.18Å; L211-V214 PolarHBondContact O-N 3.15Å; L211-R215 WeakPolarHBondContact O-CB 3.42Å; L211-R215 PolarHBondContact O-N 3.45Å; L211-A654 HydrophobicContact CD2-CB 3.74Å; L211-W727 HydrophobicContact CD1-CH2 3.68Å; L211-W727 HydrophobicContact CD1-CZ2 4.15Å; L211-W727 HydrophobicContact CD1-CZ3 3.89Å; L211-W727 HydrophobicContact CD2-CH2 3.67Å; L211-W727 HydrophobicContact CD2-CZ2 3.86Å; L211-W727 HydrophobicContact CG-CH2 4.34Å; L211-E731 HydrophobicContact CD1-CG 3.84Å; L211-E731 WeakPolarHBondContact CD1-OE1 3.41Å
212	E	94.6	Very high	95.8	Very high	93 Å²	93	44.9 Å²	44.9	44%	0.435	20%	0.201	S	C	.	.	H	α-helix	trans	-61.2	-44.8	169.9	-68.7	54.2	-113.3	0	0	110.5	P210 R215 S216 P597	P210-E212 PolarHBondContact O-N 3.46Å; P210-E212 VanDerWaalsContact O-N 3.13Å; E212-R215 IonicContact OE1-NH1 3.24Å; E212-R215 PolarHBondContact OE1-NH1 3.33Å; E212-R215 VanDerWaalsContact OE1-NH1 3.14Å; E212-S216 WeakPolarHBondContact O-CB 3.39Å; E212-S216 PolarHBondContact O-N 2.88Å; E212-P597 HydrophobicContact CB-CB 3.94Å; E212-P597 HydrophobicContact CB-CG 4.3Å; E212-P597 HydrophobicContact CG-CB 4.15Å; E212-P597 HydrophobicContact CG-CG 4.21Å
213	N	96.2	Very high	96.1	Very high	1 Å²	1	43.3 Å²	43.3	1%	0.005	19%	0.191	C	C	.	.	H	α-helix	trans	-70.1	-44.9	177.3	-60.5	-10.3	0	0	0	109.7	I209 P210 L211 R215 S216 I217 A593 E596 P597 C598 I600	I209-N213 HydrophobicContact CD1-CB 4.21Å; P210-N213 WeakPolarHBondContact O-CA 3.5Å; P210-N213 WeakPolarHBondContact O-CB 3.38Å; P210-N213 PolarHBondContact O-N 2.83Å; L211-N213 VanDerWaalsContact C-N 3.34Å; N213-R215 VanDerWaalsContact C-N 3.35Å; N213-R215 PolarHBondContact O-N 2.93Å; N213-S216 PolarHBondContact O-N 3.31Å; N213-I217 WeakPolarHBondContact O-CB 3.28Å; N213-I217 WeakPolarHBondContact O-CD1 3.49Å; N213-I217 WeakPolarHBondContact O-CG1 3.46Å; N213-I217 PolarHBondContact O-N 3.47Å; N213-A593 PolarHBondContact ND2-O 3.21Å; N213-E596 PolarHBondContact ND2-O 2.81Å; N213-P597 WeakPolarHBondContact OD1-CA 3.37Å; N213-C598 PolarHBondContact OD1-N 3.28Å; N213-C598 PolarHBondContact OD1-O 3.44Å; N213-I600 HydrophobicContact CB-CG2 4.2Å
214	V	97.6	Very high	96.5	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-57.3	-47.3	175.6	-170.5	0	0	0	0	111.1	I209 P210 L211 S216 I217 I218 L653 A654 W761	I209-V214 HydrophobicContact CD1-CG2 4.28Å; I209-V214 HydrophobicContact CG1-CG2 3.59Å; P210-V214 PolarHBondContact O-N 2.97Å; L211-V214 HydrophobicContact CD2-CG2 4.18Å; L211-V214 PolarHBondContact O-N 3.15Å; V214-S216 PolarHBondContact O-N 3.41Å; V214-I217 PolarHBondContact O-N 2.94Å; V214-I218 HydrophobicContact CG1-CG1 4.12Å; V214-I218 WeakPolarHBondContact O-CB 3.29Å; V214-I218 VanDerWaalsContact O-CG1 3.31Å; V214-I218 WeakPolarHBondContact O-CG1 3.4Å; V214-I218 PolarHBondContact O-N 2.89Å; V214-L653 HydrophobicContact CG1-CB 3.85Å; V214-L653 HydrophobicContact CG2-CB 4.07Å; V214-A654 HydrophobicContact CG1-CB 4.45Å; V214-A654 HydrophobicContact CG2-CB 4.47Å; V214-W761 HydrophobicContact CG1-CH2 4.11Å
215	R	97.1	Very high	96.8	Very high	63 Å²	63	37 Å²	37	24%	0.238	17%	0.166	C	C	.	.	H	α-helix	trans	-59.6	-43.7	177	-176.3	-174.8	-63	110.1	6.3	111.9	L211 E212 N213 K219 W761	L211-R215 WeakPolarHBondContact O-CB 3.42Å; L211-R215 PolarHBondContact O-N 3.45Å; E212-R215 IonicContact OE1-NH1 3.24Å; E212-R215 PolarHBondContact OE1-NH1 3.33Å; E212-R215 VanDerWaalsContact OE1-NH1 3.14Å; N213-R215 VanDerWaalsContact C-N 3.35Å; N213-R215 PolarHBondContact O-N 2.93Å; R215-K219 WeakPolarHBondContact O-CB 3.39Å; R215-K219 PolarHBondContact O-N 2.85Å; R215-W761 HydrophobicContact CB-CH2 3.98Å; R215-W761 HydrophobicContact CB-CZ2 4.14Å; R215-W761 HydrophobicContact CB-CZ3 4.33Å; R215-W761 WeakPolarHBondContact CD-O 3.39Å; R215-W761 HydrophobicContact CG-CZ3 4.45Å; R215-W761 WeakPolarHBondContact CG-O 3.44Å; R215-W761 PolarHBondContact NE-O 3.25Å
216	S	96.9	Very high	97	Very high	32 Å²	32	32.2 Å²	32.2	22%	0.224	14%	0.144	C	C	.	.	H	α-helix	trans	-64.4	-46.2	176.2	-171.1	0	0	0	0	112.3	E212 N213 V214 Q220 I600	E212-S216 WeakPolarHBondContact O-CB 3.39Å; E212-S216 PolarHBondContact O-N 2.88Å; N213-S216 PolarHBondContact O-N 3.31Å; V214-S216 PolarHBondContact O-N 3.41Å; S216-Q220 VanDerWaalsContact O-CG 3.29Å; S216-Q220 WeakPolarHBondContact O-CG 3.27Å; S216-Q220 PolarHBondContact O-N 2.92Å; S216-Q220 PolarHBondContact O-NE2 3.34Å; S216-Q220 VanDerWaalsContact O-NE2 3.1Å; S216-Q220 PolarHBondContact OG-NE2 2.81Å; S216-I600 PolarHBondContact OG-O 2.95Å
217	I	98.3	Very high	97.2	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-61.6	-50.4	179.3	-71.1	161.7	0	0	0	111.1	L197 I209 N213 V214 Q220 T221 I600 V602 L653	L197-I217 HydrophobicContact CD1-CG2 3.48Å; L197-I217 VanDerWaalsContact CD1-CG2 3.48Å; L197-I217 HydrophobicContact CD2-CD1 3.93Å; L197-I217 HydrophobicContact CD2-CG1 4.4Å; L197-I217 HydrophobicContact CD2-CG2 4.5Å; I209-I217 HydrophobicContact CD1-CD1 3.67Å; N213-I217 WeakPolarHBondContact O-CB 3.28Å; N213-I217 WeakPolarHBondContact O-CD1 3.49Å; N213-I217 WeakPolarHBondContact O-CG1 3.46Å; N213-I217 PolarHBondContact O-N 3.47Å; V214-I217 PolarHBondContact O-N 2.94Å; I217-Q220 PolarHBondContact O-N 2.95Å; I217-T221 WeakPolarHBondContact O-CB 3.33Å; I217-T221 PolarHBondContact O-N 2.66Å; I217-T221 PolarHBondContact O-OG1 3Å; I217-I600 HydrophobicContact CD1-CD1 4.29Å; I217-I600 HydrophobicContact CG1-CD1 4.47Å; I217-I600 HydrophobicContact CG1-CG2 4.18Å; I217-V602 HydrophobicContact CB-CG2 4.5Å; I217-V602 HydrophobicContact CG1-CG1 4Å; I217-V602 HydrophobicContact CG2-CG2 4.37Å; I217-L653 HydrophobicContact CG2-CD1 3.88Å
218	I	98.6	Very high	97.5	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-68.3	-39.7	-177.6	-64.8	-60.8	0	0	0	110.7	V214 Q220 T221 L222 T646 M649 A650 L653 F738 W761 I762	V214-I218 HydrophobicContact CG1-CG1 4.12Å; V214-I218 WeakPolarHBondContact O-CB 3.29Å; V214-I218 VanDerWaalsContact O-CG1 3.31Å; V214-I218 WeakPolarHBondContact O-CG1 3.4Å; V214-I218 PolarHBondContact O-N 2.89Å; I218-Q220 VanDerWaalsContact C-N 3.32Å; I218-Q220 PolarHBondContact O-N 2.9Å; I218-T221 PolarHBondContact O-N 3.11Å; I218-L222 HydrophobicContact CG2-CD1 3.84Å; I218-L222 HydrophobicContact CG2-CG 4.27Å; I218-L222 WeakPolarHBondContact O-CB 3.33Å; I218-L222 VanDerWaalsContact O-CG 3.24Å; I218-L222 WeakPolarHBondContact O-CG 3.33Å; I218-L222 PolarHBondContact O-N 3.1Å; I218-T646 HydrophobicContact CD1-CG2 4.09Å; I218-T646 HydrophobicContact CG2-CG2 4.23Å; I218-M649 HydrophobicContact CD1-CE 3.94Å; I218-A650 HydrophobicContact CD1-CB 3.69Å; I218-A650 HydrophobicContact CG1-CB 3.78Å; I218-L653 HydrophobicContact CD1-CD1 4.15Å; I218-F738 HydrophobicContact CG2-CE1 3.96Å; I218-F738 HydrophobicContact CG2-CZ 3.74Å; I218-W761 HydrophobicContact CB-CZ3 4.3Å; I218-W761 HydrophobicContact CG2-CZ3 4.3Å; I218-I762 HydrophobicContact CG2-CD1 4.3Å
219	K	98.6	Very high	97.7	Very high	82 Å²	82	20.3 Å²	20.3	36%	0.357	10%	0.098	S	C	.	.	H	α-helix	trans	-55.4	-45.8	171.7	-177.3	175.7	-171.8	167.6	0	112.2	R215 L222 Q223 L757 I762	R215-K219 WeakPolarHBondContact O-CB 3.39Å; R215-K219 PolarHBondContact O-N 2.85Å; K219-L222 PolarHBondContact O-N 3.49Å; K219-Q223 WeakPolarHBondContact O-CG 3.45Å; K219-Q223 PolarHBondContact O-N 3Å; K219-L757 HydrophobicContact CG-CD2 3.98Å; K219-L757 WeakPolarHBondContact O-CD2 3.41Å; K219-I762 HydrophobicContact CB-CD1 4.15Å; K219-I762 HydrophobicContact CB-CG2 4.04Å; K219-I762 HydrophobicContact CD-CG2 3.9Å; K219-I762 HydrophobicContact CG-CG2 3.75Å
220	Q	98.5	Very high	97.8	Very high	14 Å²	14	22.5 Å²	22.5	7%	0.065	11%	0.111	C	C	.	.	H	α-helix	trans	-72.5	-34.6	-179.9	-70.6	175.4	79.5	0	0	112.9	K168 S216 I217 I218 Q223 G224 I600 V602	K168-Q220 HydrophobicContact CD-CB 4.18Å; K168-Q220 HydrophobicContact CD-CG 4.22Å; S216-Q220 VanDerWaalsContact O-CG 3.29Å; S216-Q220 WeakPolarHBondContact O-CG 3.27Å; S216-Q220 PolarHBondContact O-N 2.92Å; S216-Q220 PolarHBondContact O-NE2 3.34Å; S216-Q220 VanDerWaalsContact O-NE2 3.1Å; S216-Q220 PolarHBondContact OG-NE2 2.81Å; I217-Q220 PolarHBondContact O-N 2.95Å; I218-Q220 VanDerWaalsContact C-N 3.32Å; I218-Q220 PolarHBondContact O-N 2.9Å; Q220-Q223 WeakPolarHBondContact O-CB 3.21Å; Q220-Q223 PolarHBondContact O-N 3.42Å; Q220-G224 PolarHBondContact O-N 2.84Å; Q220-I600 PolarHBondContact NE2-O 2.7Å; Q220-V602 HydrophobicContact CB-CG2 3.6Å; Q220-V602 HydrophobicContact CG-CG2 4.47Å; Q220-V602 VanDerWaalsContact OE1-N 3.12Å
221	T	98.8	Very high	97.9	Very high	1 Å²	1	25.3 Å²	25.3	1%	0.006	12%	0.121	C	C	.	.	H	α-helix	trans	-62.1	-46.6	171.9	-54.1	0	0	0	0	110.5	I217 I218 Q223 G224 L225 I244 I604 T646 M649	I217-T221 WeakPolarHBondContact O-CB 3.33Å; I217-T221 PolarHBondContact O-N 2.66Å; I217-T221 PolarHBondContact O-OG1 3Å; I218-T221 PolarHBondContact O-N 3.11Å; T221-Q223 VanDerWaalsContact C-N 3.33Å; T221-Q223 PolarHBondContact O-N 3.19Å; T221-G224 PolarHBondContact O-N 3.27Å; T221-L225 HydrophobicContact CG2-CD1 4.3Å; T221-L225 WeakPolarHBondContact O-CG 2.89Å; T221-L225 PolarHBondContact O-N 3.32Å; T221-I244 HydrophobicContact CG2-CD1 4.01Å; T221-I604 HydrophobicContact CG2-CD1 4.44Å; T221-I604 HydrophobicContact CG2-CG1 4.45Å; T221-T646 HydrophobicContact CG2-CG2 4.25Å; T221-M649 HydrophobicContact CG2-CE 3.94Å
222	L	98.8	Very high	98	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-64.7	-34.1	176.9	-68.5	166.4	0	0	0	112.7	I218 K219 H226 I643 T646 F738 M742 A753 C756 L757 I762	I218-L222 HydrophobicContact CG2-CD1 3.84Å; I218-L222 HydrophobicContact CG2-CG 4.27Å; I218-L222 WeakPolarHBondContact O-CB 3.33Å; I218-L222 VanDerWaalsContact O-CG 3.24Å; I218-L222 WeakPolarHBondContact O-CG 3.33Å; I218-L222 PolarHBondContact O-N 3.1Å; K219-L222 PolarHBondContact O-N 3.49Å; L222-H226 WeakPolarHBondContact O-CB 3.36Å; L222-H226 PolarHBondContact O-N 2.79Å; L222-I643 HydrophobicContact CD2-CD1 4.31Å; L222-T646 HydrophobicContact CD2-CG2 4.23Å; L222-T646 HydrophobicContact CG-CG2 4.49Å; L222-F738 HydrophobicContact CD1-CE2 4.39Å; L222-F738 HydrophobicContact CD1-CZ 4.06Å; L222-M742 HydrophobicContact CD2-CE 4.27Å; L222-A753 HydrophobicContact CD2-CB 4.4Å; L222-C756 HydrophobicContact CD1-CB 3.52Å; L222-C756 HydrophobicContact CD2-CB 3.8Å; L222-C756 HydrophobicContact CG-CB 4.26Å; L222-L757 HydrophobicContact CB-CD1 4.43Å; L222-L757 HydrophobicContact CB-CD2 3.83Å; L222-L757 HydrophobicContact CB-CG 3.89Å; L222-I762 HydrophobicContact CD1-CD1 4.37Å
223	Q	98.7	Very high	98.2	Very high	34 Å²	34	24.7 Å²	24.7	16%	0.159	12%	0.118	C	C	.	.	H	α-helix	trans	-60.4	-50.5	170	-74.4	173.5	-20.9	0	0	111.2	F165 K168 K219 Q220 T221 L225 H226 Y227 L757	F165-Q223 HydrophobicContact CB-CB 4.16Å; F165-Q223 WeakPolarHBondContact CB-O 3.2Å; F165-Q223 HydrophobicContact CD1-CB 3.84Å; F165-Q223 HydrophobicContact CD1-CG 3.73Å; F165-Q223 HydrophobicContact CD2-CB 4.07Å; F165-Q223 HydrophobicContact CD2-CG 4.21Å; F165-Q223 HydrophobicContact CE1-CB 4.27Å; F165-Q223 HydrophobicContact CE1-CG 3.64Å; F165-Q223 HydrophobicContact CE2-CB 4.47Å; F165-Q223 HydrophobicContact CE2-CG 4.12Å; F165-Q223 HydrophobicContact CG-CB 3.76Å; F165-Q223 HydrophobicContact CG-CG 4.05Å; F165-Q223 HydrophobicContact CZ-CG 3.85Å; K168-Q223 HydrophobicContact CB-CB 4.46Å; K168-Q223 HydrophobicContact CG-CB 4.07Å; K219-Q223 WeakPolarHBondContact O-CG 3.45Å; K219-Q223 PolarHBondContact O-N 3Å; Q220-Q223 WeakPolarHBondContact O-CB 3.21Å; Q220-Q223 PolarHBondContact O-N 3.42Å; T221-Q223 VanDerWaalsContact C-N 3.33Å; T221-Q223 PolarHBondContact O-N 3.19Å; Q223-L225 PolarHBondContact O-N 3.47Å; Q223-H226 PolarHBondContact O-N 3.33Å; Q223-Y227 PolarHBondContact O-N 2.78Å; Q223-Y227 VanDerWaalsContact O-N 3.12Å; Q223-L757 HydrophobicContact CG-CD1 4.08Å; Q223-L757 HydrophobicContact CG-CD2 3.93Å
224	G	98.7	Very high	98.3	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-59.7	-44.4	176.9	0	0	0	0	0	112.9	Q220 T221 Y227 L228	Q220-G224 PolarHBondContact O-N 2.84Å; T221-G224 PolarHBondContact O-N 3.27Å; G224-Y227 WeakPolarHBondContact O-CB 3.27Å; G224-Y227 PolarHBondContact O-N 2.82Å; G224-L228 WeakPolarHBondContact O-CG 3.28Å; G224-L228 PolarHBondContact O-N 2.92Å
225	L	98.8	Very high	98.4	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-64.2	-44	176.3	-73.1	178.2	0	0	0	112.3	T221 Q223 Y227 L228 H229 H236 I239 I604 D642 I643 T646 A753	T221-L225 HydrophobicContact CG2-CD1 4.3Å; T221-L225 WeakPolarHBondContact O-CG 2.89Å; T221-L225 PolarHBondContact O-N 3.32Å; Q223-L225 PolarHBondContact O-N 3.47Å; L225-Y227 PolarHBondContact O-N 3.03Å; L225-L228 HydrophobicContact CD2-CD1 4.44Å; L225-L228 PolarHBondContact O-N 2.62Å; L225-H229 VanDerWaalsContact O-CB 3.28Å; L225-H229 WeakPolarHBondContact O-CB 3.39Å; L225-H229 PolarHBondContact O-CD2 3.1Å; L225-H229 PolarHBondContact O-N 2.57Å; L225-H236 HydrophobicContact CD2-CB 4.35Å; L225-I239 HydrophobicContact CD2-CD1 3.94Å; L225-I239 HydrophobicContact CD2-CG1 4.1Å; L225-I604 HydrophobicContact CD2-CD1 3.99Å; L225-I604 HydrophobicContact CG-CD1 3.89Å; L225-D642 HydrophobicContact CD1-CB 4.04Å; L225-D642 HydrophobicContact CD2-CB 3.8Å; L225-I643 HydrophobicContact CD1-CD1 4.36Å; L225-T646 VanDerWaalsContact CD1-OG1 3.27Å; L225-T646 WeakPolarHBondContact CD1-OG1 3.46Å; L225-A753 HydrophobicContact CB-CB 4.13Å
226	H	98.6	Very high	98.5	Very high	30 Å²	30	21.7 Å²	21.7	14%	0.139	11%	0.107	C	C	.	.	H	α-helix	trans	-57.3	-40.4	175.9	-179	70.7	0	0	0	111.8	F165 L222 Q223 T230 A753 W754	F165-H226 AromaticContact CD2-CD2 3.93Å; L222-H226 WeakPolarHBondContact O-CB 3.36Å; L222-H226 PolarHBondContact O-N 2.79Å; Q223-H226 PolarHBondContact O-N 3.33Å; H226-T230 WeakPolarHBondContact O-CB 3.41Å; H226-T230 WeakPolarHBondContact O-CG2 3.04Å; H226-T230 PolarHBondContact O-N 3.27Å; H226-T230 PolarHBondContact O-OG1 3.45Å; H226-A753 HydrophobicContact CB-CB 3.83Å; H226-W754 AromaticContact CD2-CE3 3.97Å; H226-W754 AromaticContact CE1-CE3 3.7Å; H226-W754 AromaticContact NE2-CE3 3.6Å
227	Y	98.7	Very high	98.5	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-66	-48.6	175	173.3	-98.7	0	0	0	112.5	V156 S159 D163 R166 T169 Q223 G224 L225 H229 K231 C232	V156-Y227 HydrophobicContact CG1-CE1 4.31Å; V156-Y227 PolarHBondContact O-OH 3.09Å; S159-Y227 WeakPolarHBondContact O-CE2 3.42Å; S159-Y227 PolarHBondContact O-OH 2.72Å; D163-Y227 HydrophobicContact CB-CD2 4.02Å; D163-Y227 HydrophobicContact CB-CE2 4.03Å; R166-Y227 HydrophobicContact CB-CD1 4.37Å; R166-Y227 HydrophobicContact CB-CD2 4.1Å; R166-Y227 HydrophobicContact CB-CE1 3.94Å; R166-Y227 HydrophobicContact CB-CE2 3.67Å; R166-Y227 HydrophobicContact CB-CG 4.45Å; R166-Y227 VanDerWaalsContact CD-OH 3.27Å; R166-Y227 WeakPolarHBondContact CD-OH 3.45Å; R166-Y227 HydrophobicContact CG-CE1 3.81Å; R166-Y227 HydrophobicContact CG-CE2 4.14Å; R166-Y227 WeakPolarHBondContact CG-OH 3.37Å; T169-Y227 HydrophobicContact CG2-CD1 4.19Å; Q223-Y227 PolarHBondContact O-N 2.78Å; Q223-Y227 VanDerWaalsContact O-N 3.12Å; G224-Y227 WeakPolarHBondContact O-CB 3.27Å; G224-Y227 PolarHBondContact O-N 2.82Å; L225-Y227 PolarHBondContact O-N 3.03Å; Y227-H229 PolarHBondContact O-N 3.06Å; Y227-K231 HydrophobicContact CD2-CB 3.85Å; Y227-K231 HydrophobicContact CD2-CG 3.57Å; Y227-K231 HydrophobicContact CE2-CB 3.77Å; Y227-K231 HydrophobicContact CE2-CG 3.89Å; Y227-K231 HydrophobicContact CG-CG 4.43Å; Y227-K231 WeakPolarHBondContact O-CA 3.46Å; Y227-K231 VanDerWaalsContact O-CB 3.3Å; Y227-K231 WeakPolarHBondContact O-CB 3.48Å; Y227-K231 PolarHBondContact O-N 3.14Å; Y227-C232 WeakPolarHBondContact CE1-SG 3.31Å; Y227-C232 PolarHBondContact O-N 2.83Å
228	L	98.7	Very high	98.5	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	10%	0.099	C	C	.	.	I	π-helix	trans	-59	-48.5	176.9	-70.1	174.2	0	0	0	112.1	V156 T169 G224 L225 C232 H233 I234 I604 L607	V156-L228 HydrophobicContact CG1-CD2 4.47Å; V156-L228 HydrophobicContact CG2-CD2 3.47Å; V156-L228 VanDerWaalsContact CG2-CD2 3.47Å; T169-L228 HydrophobicContact CG2-CD1 4.16Å; T169-L228 HydrophobicContact CG2-CD2 4.08Å; T169-L228 HydrophobicContact CG2-CG 3.93Å; G224-L228 WeakPolarHBondContact O-CG 3.28Å; G224-L228 PolarHBondContact O-N 2.92Å; L225-L228 HydrophobicContact CD2-CD1 4.44Å; L225-L228 PolarHBondContact O-N 2.62Å; L228-C232 CarbonylContact O-C 3.42Å; L228-C232 WeakPolarHBondContact O-CB 3.35Å; L228-C232 PolarHBondContact O-N 3.48Å; L228-H233 PolarHBondContact O-N 2.72Å; L228-I234 CarbonylContact C-O 3.54Å; L228-I234 HydrophobicContact CD2-CB 4.47Å; L228-I234 HydrophobicContact CD2-CG2 4.46Å; L228-I234 PolarHBondContact O-N 2.89Å; L228-I604 HydrophobicContact CD1-CD1 4.13Å; L228-I604 HydrophobicContact CD1-CG2 4.49Å; L228-L607 HydrophobicContact CD2-CD2 4.48Å
229	H	98.6	Very high	98.5	Very high	21 Å²	21	20.7 Å²	20.7	10%	0.097	10%	0.099	C	C	.	.	I	π-helix	trans	-66.4	-42.7	-177.2	-63.3	175.5	0	0	0	112.4	L225 Y227 H233 I234 P639 D642	L225-H229 VanDerWaalsContact O-CB 3.28Å; L225-H229 WeakPolarHBondContact O-CB 3.39Å; L225-H229 PolarHBondContact O-CD2 3.1Å; L225-H229 PolarHBondContact O-N 2.57Å; Y227-H229 PolarHBondContact O-N 3.06Å; H229-H233 PolarHBondContact O-ND1 3.03Å; H229-I234 PolarHBondContact CD2-O 2.91Å; H229-P639 HydrophobicContact CB-CB 4.31Å; H229-P639 PolarHBondContact CE1-O 3.02Å; H229-P639 VanDerWaalsContact CE1-O 3.23Å; H229-D642 IonicContact CD2-OD2 3.5Å; H229-D642 IonicContact CE1-OD2 3.59Å; H229-D642 IonicContact NE2-OD2 3.74Å; H229-D642 PolarHBondContact NE2-OD2 2.86Å
230	T	98.1	Very high	98.5	Very high	57 Å²	57	18.1 Å²	18.1	35%	0.35	9%	0.087	S	C	.	.	I	π-helix	trans	-102.4	-22.9	-169.8	70.6	0	0	0	0	115.8	H226	H226-T230 WeakPolarHBondContact O-CB 3.41Å; H226-T230 WeakPolarHBondContact O-CG2 3.04Å; H226-T230 PolarHBondContact O-N 3.27Å; H226-T230 PolarHBondContact O-OG1 3.45Å
231	K	98	Very high	98.5	Very high	83 Å²	83	17.4 Å²	17.4	36%	0.361	8%	0.084	S	C	.	.	I	π-helix	trans	-109.1	-33.7	-179.5	-48.2	-54.3	-176	-171.8	0	113	S159 A160 D163 Y227	S159-K231 WeakPolarHBondContact CB-O 3.5Å; S159-K231 PolarHBondContact OG-O 2.9Å; A160-K231 HydrophobicContact CB-CB 4.38Å; A160-K231 HydrophobicContact CB-CD 4.32Å; A160-K231 HydrophobicContact CB-CG 4.33Å; D163-K231 WeakPolarHBondContact OD2-CE 3.37Å; Y227-K231 HydrophobicContact CD2-CB 3.85Å; Y227-K231 HydrophobicContact CD2-CG 3.57Å; Y227-K231 HydrophobicContact CE2-CB 3.77Å; Y227-K231 HydrophobicContact CE2-CG 3.89Å; Y227-K231 HydrophobicContact CG-CG 4.43Å; Y227-K231 WeakPolarHBondContact O-CA 3.46Å; Y227-K231 VanDerWaalsContact O-CB 3.3Å; Y227-K231 WeakPolarHBondContact O-CB 3.48Å; Y227-K231 PolarHBondContact O-N 3.14Å
232	C	98.1	Very high	98.3	Very high	4 Å²	4	20 Å²	20	3%	0.027	10%	0.096	C	C	.	.	I	π-helix	trans	-99.1	-20.1	-179.2	-50.2	0	0	0	0	112.6	V156 Y227 L228 I234 W612	V156-C232 HydrophobicContact CG2-CB 4.46Å; Y227-C232 WeakPolarHBondContact CE1-SG 3.31Å; Y227-C232 PolarHBondContact O-N 2.83Å; L228-C232 CarbonylContact O-C 3.42Å; L228-C232 WeakPolarHBondContact O-CB 3.35Å; L228-C232 PolarHBondContact O-N 3.48Å; C232-I234 HydrophobicContact CB-CB 4.18Å; C232-I234 HydrophobicContact CB-CD1 3.71Å; C232-I234 HydrophobicContact CB-CG1 3.86Å; C232-I234 PolarHBondContact O-N 3.13Å; C232-W612 WeakPolarHBondContact O-CZ3 3.32Å
233	H	98.2	Very high	98.3	Very high	97 Å²	97	20.7 Å²	20.7	45%	0.449	10%	0.1	S	C	.	.			trans	55.1	42.1	-170.2	-58	-48.7	0	0	0	112.3	L228 H229 W612 T613 Y614	L228-H233 PolarHBondContact O-N 2.72Å; H229-H233 PolarHBondContact O-ND1 3.03Å; H233-W612 CarbonylContact O-C 3.57Å; H233-W612 WeakPolarHBondContact O-CA 3.42Å; H233-T613 PolarHBondContact O-N 3.07Å; H233-T613 PolarHBondContact O-OG1 3.41Å; H233-Y614 HydrophobicContact CB-CD1 4.46Å; H233-Y614 HydrophobicContact CB-CE1 4.29Å
234	I	98.6	Very high	98.2	Very high	0 Å²	0	19 Å²	19	0%	0	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	139.9	179.4	-67.9	173	0	0	0	109.4	L152 V156 L228 H229 C232 L607 A610 C611 W612	L152-I234 HydrophobicContact CB-CD1 4.18Å; L152-I234 HydrophobicContact CD2-CD1 3.65Å; L152-I234 HydrophobicContact CD2-CG1 3.77Å; L152-I234 HydrophobicContact CD2-CG2 4.32Å; V156-I234 HydrophobicContact CG2-CD1 3.75Å; L228-I234 CarbonylContact C-O 3.54Å; L228-I234 HydrophobicContact CD2-CB 4.47Å; L228-I234 HydrophobicContact CD2-CG2 4.46Å; L228-I234 PolarHBondContact O-N 2.89Å; H229-I234 PolarHBondContact CD2-O 2.91Å; C232-I234 HydrophobicContact CB-CB 4.18Å; C232-I234 HydrophobicContact CB-CD1 3.71Å; C232-I234 HydrophobicContact CB-CG1 3.86Å; C232-I234 PolarHBondContact O-N 3.13Å; I234-L607 HydrophobicContact CG2-CD2 4.44Å; I234-A610 HydrophobicContact CG2-CB 3.99Å; I234-C611 CarbonylContact C-O 3.53Å; I234-C611 WeakPolarHBondContact CA-O 3.41Å; I234-W612 HydrophobicContact CD1-CE3 4.49Å; I234-W612 HydrophobicContact CD1-CH2 4.38Å; I234-W612 HydrophobicContact CD1-CZ3 4.06Å; I234-W612 HydrophobicContact CG1-CD2 4.48Å; I234-W612 HydrophobicContact CG1-CE3 3.77Å; I234-W612 HydrophobicContact CG1-CZ3 3.8Å
235	I	98.6	Very high	98.2	Very high	0 Å²	0	21 Å²	21	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	132.6	166.2	-48.6	168.5	0	0	0	106.6	T237 A610 C611 T613 Y637 P639 D642	I235-T237 HydrophobicContact CB-CG2 4.16Å; I235-T237 HydrophobicContact CG2-CG2 3.94Å; I235-A610 VanDerWaalsContact O-CA 3.28Å; I235-A610 WeakPolarHBondContact O-CA 3.44Å; I235-A610 VanDerWaalsContact O-CB 3.3Å; I235-A610 WeakPolarHBondContact O-CB 3.3Å; I235-C611 PolarHBondContact N-O 2.72Å; I235-C611 PolarHBondContact O-N 3.02Å; I235-T613 HydrophobicContact CD1-CG2 4.21Å; I235-T613 HydrophobicContact CG1-CG2 3.68Å; I235-Y637 HydrophobicContact CD1-CD2 4.05Å; I235-Y637 HydrophobicContact CD1-CE2 3.76Å; I235-P639 HydrophobicContact CG1-CG 4.23Å; I235-D642 WeakPolarHBondContact CG2-OD2 3.45Å
236	H	98.7	Very high	98.1	Very high	1 Å²	1	22.1 Å²	22.1	1%	0.005	11%	0.109	C	C	.	.			trans	-76.5	-33.3	-177.4	-172.7	-85.7	0	0	0	112.6	L225 D238 I239 N243 I604 A605 D606 A610 D642	L225-H236 HydrophobicContact CD2-CB 4.35Å; H236-D238 PolarHBondContact CE1-O 3.17Å; H236-D238 PolarHBondContact ND1-N 2.91Å; H236-D238 PolarHBondContact O-N 2.87Å; H236-I239 HydrophobicContact CB-CD1 3.92Å; H236-I239 HydrophobicContact CB-CG1 3.99Å; H236-I239 WeakPolarHBondContact ND1-CD1 3.48Å; H236-I239 PolarHBondContact ND1-N 3.01Å; H236-N243 WeakPolarHBondContact CE1-CB 3.39Å; H236-N243 PolarHBondContact CE1-ND2 3.45Å; H236-I604 VanDerWaalsContact CD2-CG2 3.42Å; H236-I604 WeakPolarHBondContact CD2-CG2 3.49Å; H236-A605 PolarHBondContact CE1-O 2.81Å; H236-A605 PolarHBondContact NE2-O 2.77Å; H236-D606 PolarHBondContact CE1-O 2.91Å; H236-D606 PolarHBondContact NE2-O 2.78Å; H236-A610 WeakPolarHBondContact O-CA 3.33Å; H236-D642 PolarHBondContact N-OD1 2.89Å; H236-D642 PolarHBondContact N-OD2 3.39Å
237	T	98.4	Very high	97.9	Very high	2 Å²	2	22.1 Å²	22.1	1%	0.012	11%	0.112	C	C	.	.	S	Bend	trans	64.8	-11.5	176	92.2	0	0	0	0	116.7	I235 N609 I621 Q622 Y637 D642	I235-T237 HydrophobicContact CB-CG2 4.16Å; I235-T237 HydrophobicContact CG2-CG2 3.94Å; T237-N609 PolarHBondContact OG1-O 3.49Å; T237-I621 HydrophobicContact CG2-CG2 4.37Å; T237-Q622 WeakPolarHBondContact O-CA 3.31Å; T237-Q622 WeakPolarHBondContact O-CG 3.42Å; T237-Q622 PolarHBondContact O-N 2.94Å; T237-Y637 HydrophobicContact CG2-CE2 4.39Å; T237-D642 PolarHBondContact N-OD1 3.28Å
238	D	98.4	Very high	97.6	Very high	8 Å²	8	24.1 Å²	24.1	4%	0.043	12%	0.122	C	C	.	.			trans	-145.1	51.5	-178.1	-166.6	39.5	0	0	0	112.4	H236 K240 N243 N609 T623	H236-D238 PolarHBondContact CE1-O 3.17Å; H236-D238 PolarHBondContact ND1-N 2.91Å; H236-D238 PolarHBondContact O-N 2.87Å; D238-K240 VanDerWaalsContact CG-NZ 3.34Å; D238-K240 PolarHBondContact O-N 3.19Å; D238-K240 IonicContact OD1-NZ 3.68Å; D238-K240 PolarHBondContact OD1-NZ 3.3Å; D238-K240 WeakPolarHBondContact OD2-CE 3.45Å; D238-K240 IonicContact OD2-NZ 3.67Å; D238-K240 PolarHBondContact OD2-NZ 2.76Å; D238-N243 PolarHBondContact O-ND2 2.95Å; D238-N243 PolarHBondContact OD2-ND2 2.84Å; D238-N243 VanDerWaalsContact OD2-ND2 3.09Å; D238-N609 HydrophobicContact CB-CB 4.25Å; D238-N609 PolarHBondContact OD2-ND2 3.2Å; D238-T623 WeakPolarHBondContact OD1-CB 3.38Å; D238-T623 PolarHBondContact OD1-N 2.77Å; D238-T623 VanDerWaalsContact OD1-N 3.1Å; D238-T623 PolarHBondContact OD1-OG1 2.78Å
239	I	98.7	Very high	97.1	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	14%	0.138	C	C	.	.			trans	-72.2	120.7	173.9	-66.1	-69.3	0	0	0	110.4	L225 H236 I244 I604 D642 S645 M649	L225-I239 HydrophobicContact CD2-CD1 3.94Å; L225-I239 HydrophobicContact CD2-CG1 4.1Å; H236-I239 HydrophobicContact CB-CD1 3.92Å; H236-I239 HydrophobicContact CB-CG1 3.99Å; H236-I239 WeakPolarHBondContact ND1-CD1 3.48Å; H236-I239 PolarHBondContact ND1-N 3.01Å; I239-I244 HydrophobicContact CD1-CD1 4.42Å; I239-I604 HydrophobicContact CD1-CD1 4.35Å; I239-I604 HydrophobicContact CD1-CG2 3.98Å; I239-D642 HydrophobicContact CG1-CB 4.23Å; I239-S645 WeakPolarHBondContact O-CB 3.46Å; I239-M649 HydrophobicContact CG2-CE 3.79Å; I239-M649 HydrophobicContact CG2-SD 4.32Å
240	K	98.4	Very high	96.7	Very high	28 Å²	28	30.1 Å²	30.1	12%	0.122	16%	0.159	C	C	.	.	S	Bend	trans	-163.4	164.1	-179.1	63.8	-169.9	-171.6	-148	0	111.4	D238 E242 N243 I244 T623 Y626	D238-K240 VanDerWaalsContact CG-NZ 3.34Å; D238-K240 PolarHBondContact O-N 3.19Å; D238-K240 IonicContact OD1-NZ 3.68Å; D238-K240 PolarHBondContact OD1-NZ 3.3Å; D238-K240 WeakPolarHBondContact OD2-CE 3.45Å; D238-K240 IonicContact OD2-NZ 3.67Å; D238-K240 PolarHBondContact OD2-NZ 2.76Å; K240-E242 HydrophobicContact CG-CB 4.23Å; K240-E242 VanDerWaalsContact CG-OE2 3.29Å; K240-E242 WeakPolarHBondContact CG-OE2 3.21Å; K240-E242 PolarHBondContact O-N 3.35Å; K240-N243 HydrophobicContact CG-CB 4.24Å; K240-N243 PolarHBondContact O-N 3.4Å; K240-I244 PolarHBondContact O-N 3.33Å; K240-T623 HydrophobicContact CD-CG2 4.26Å; K240-T623 WeakPolarHBondContact CD-OG1 3.29Å; K240-T623 PolarHBondContact NZ-OG1 2.76Å; K240-Y626 HydrophobicContact CB-CD1 4.41Å; K240-Y626 HydrophobicContact CB-CD2 3.9Å; K240-Y626 HydrophobicContact CB-CE1 4.15Å; K240-Y626 HydrophobicContact CB-CE2 3.58Å; K240-Y626 HydrophobicContact CB-CG 4.3Å; K240-Y626 HydrophobicContact CD-CE2 4.32Å
241	P	98.1	Very high	96.1	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.6	-26.9	-179.2	-26.7	34.7	0	0	0	115.2	L197 L198 I201 Y626 M649	L197-P241 HydrophobicContact CB-CB 3.99Å; L197-P241 WeakPolarHBondContact CB-O 3.49Å; L197-P241 PolarHBondContact N-O 2.72Å; L198-P241 HydrophobicContact CB-CB 4.2Å; L198-P241 PolarHBondContact N-O 3.09Å; I201-P241 HydrophobicContact CD1-CB 3.79Å; I201-P241 HydrophobicContact CD1-CG 3.74Å; P241-Y626 VanDerWaalsContact CD-OH 3.22Å; P241-Y626 WeakPolarHBondContact CD-OH 3.13Å; P241-M649 HydrophobicContact CG-CG 4.01Å; P241-M649 HydrophobicContact CG-SD 4.43Å
242	E	95.2	Very high	95.6	Very high	55 Å²	55	28 Å²	28	26%	0.257	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72	-29.8	178.1	-60.1	95.8	129	0	0	113.7	N196 L198 K240	N196-E242 WeakPolarHBondContact CB-O 3.4Å; N196-E242 WeakPolarHBondContact ND2-CA 3.4Å; N196-E242 PolarHBondContact ND2-O 3.26Å; L198-E242 HydrophobicContact CB-CG 4.06Å; L198-E242 HydrophobicContact CD2-CG 3.6Å; L198-E242 HydrophobicContact CG-CG 4.45Å; K240-E242 HydrophobicContact CG-CB 4.23Å; K240-E242 VanDerWaalsContact CG-OE2 3.29Å; K240-E242 WeakPolarHBondContact CG-OE2 3.21Å; K240-E242 PolarHBondContact O-N 3.35Å
243	N	97.4	Very high	95.3	Very high	14 Å²	14	28.2 Å²	28.2	8%	0.075	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.1	0.8	-172.5	-66	-4.9	0	0	0	112.6	H236 D238 K240 A605	H236-N243 WeakPolarHBondContact CE1-CB 3.39Å; H236-N243 PolarHBondContact CE1-ND2 3.45Å; D238-N243 PolarHBondContact O-ND2 2.95Å; D238-N243 PolarHBondContact OD2-ND2 2.84Å; D238-N243 VanDerWaalsContact OD2-ND2 3.09Å; K240-N243 HydrophobicContact CG-CB 4.24Å; K240-N243 PolarHBondContact O-N 3.4Å; N243-A605 PolarHBondContact O-N 3.29Å
244	I	98.3	Very high	94.9	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	120.1	168.8	-52.6	-58	0	0	0	108.8	N196 L197 T221 I239 K240 V602 I604 M649	N196-I244 VanDerWaalsContact CA-O 3.28Å; N196-I244 WeakPolarHBondContact CA-O 3.26Å; L197-I244 HydrophobicContact CD1-CB 3.67Å; L197-I244 HydrophobicContact CD1-CG1 4.3Å; L197-I244 HydrophobicContact CD1-CG2 3.64Å; L197-I244 HydrophobicContact CG-CB 3.98Å; L197-I244 HydrophobicContact CG-CG2 4Å; L197-I244 PolarHBondContact N-O 2.7Å; T221-I244 HydrophobicContact CG2-CD1 4.01Å; I239-I244 HydrophobicContact CD1-CD1 4.42Å; K240-I244 PolarHBondContact O-N 3.33Å; I244-V602 HydrophobicContact CG2-CB 3.8Å; I244-V602 HydrophobicContact CG2-CG1 4.26Å; I244-V602 HydrophobicContact CG2-CG2 4.12Å; I244-I604 HydrophobicContact CD1-CB 4.33Å; I244-I604 HydrophobicContact CD1-CG1 3.9Å; I244-I604 HydrophobicContact CD1-CG2 4.48Å; I244-M649 HydrophobicContact CD1-CE 4.46Å; I244-M649 HydrophobicContact CG1-CE 3.9Å; I244-M649 HydrophobicContact CG1-SD 3.8Å
245	L	97.5	Very high	94.4	Very high	40 Å²	40	30.9 Å²	30.9	21%	0.209	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	138.5	-177	-60	-177.2	0	0	0	111.4	L193 N196 V602 K603 A605	L193-L245 HydrophobicContact CB-CB 4.07Å; L193-L245 HydrophobicContact CB-CD1 4.1Å; L193-L245 HydrophobicContact CD1-CB 4.01Å; L193-L245 HydrophobicContact CD1-CD1 3.91Å; N196-L245 HydrophobicContact CB-CD2 3.72Å; L245-V602 CarbonylContact O-C 3.6Å; L245-V602 VanDerWaalsContact O-CA 3.25Å; L245-V602 WeakPolarHBondContact O-CA 3.32Å; L245-K603 PolarHBondContact N-O 2.72Å; L245-K603 PolarHBondContact O-N 2.93Å; L245-A605 HydrophobicContact CD1-CB 3.6Å; L245-A605 HydrophobicContact CG-CB 3.79Å
246	V	96.2	Very high	94	Very high	25 Å²	25	32.7 Å²	32.7	15%	0.152	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	133.1	175.3	-175.2	0	0	0	0	109.7	G194 H195 L197 L200 I600 V602	G194-V246 WeakPolarHBondContact CA-O 3.46Å; G194-V246 PolarHBondContact N-O 2.72Å; H195-V246 WeakPolarHBondContact O-CG2 3.31Å; H195-V246 PolarHBondContact O-N 3.01Å; L197-V246 HydrophobicContact CD2-CG2 3.8Å; L200-V246 HydrophobicContact CD1-CG2 4.17Å; V246-I600 HydrophobicContact CG1-CD1 3.92Å; V246-I600 HydrophobicContact CG1-CG1 3.88Å; V246-I600 HydrophobicContact CG2-CD1 4.06Å; V246-V602 HydrophobicContact CG2-CG1 4.28Å
247	C	95.4	Very high	93.6	Very high	30 Å²	30	32.6 Å²	32.6	20%	0.203	17%	0.167	C	C	.	.			trans	-67.2	147.3	171.3	-72.9	0	0	0	0	110.9	E601 K603	C247-E601 HydrophobicContact CB-CB 3.94Å; C247-E601 HydrophobicContact CB-CG 4.11Å; C247-E601 PolarHBondContact N-O 3.49Å; C247-E601 VanDerWaalsContact SG-CG 3.57Å; C247-E601 PolarHBondContact SG-OE2 3.42Å; C247-K603 VanDerWaalsContact SG-CE 3.59Å
248	I	91.6	Very high	93.1	Very high	41 Å²	41	34.5 Å²	34.5	21%	0.21	18%	0.182	C	C	.	.			trans	-124.1	150.7	175.1	52	171.3	0	0	0	110	V192 Q252 I253 M256	V192-I248 HydrophobicContact CG1-CD1 4.08Å; I248-Q252 HydrophobicContact CB-CB 4.48Å; I248-Q252 VanDerWaalsContact CB-OE1 3.28Å; I248-I253 HydrophobicContact CD1-CD1 4.25Å; I248-I253 HydrophobicContact CD1-CG1 3.56Å; I248-I253 HydrophobicContact CG1-CD1 4.08Å; I248-I253 HydrophobicContact CG1-CG1 3.85Å; I248-M256 HydrophobicContact CD1-CE 3.54Å
249	S	89.4	Confident	92.5	Very high	47 Å²	47	39.6 Å²	39.6	33%	0.329	21%	0.206	S	C	.	.			trans	-73.8	152.6	-178.1	70.3	0	0	0	0	111.7	S251 Q252 I253	S249-S251 PolarHBondContact O-N 3.08Å; S249-S251 VanDerWaalsContact O-N 3.15Å; S249-S251 PolarHBondContact OG-OG 3.3Å; S249-Q252 WeakPolarHBondContact O-CB 3.4Å; S249-Q252 PolarHBondContact O-N 2.93Å; S249-Q252 WeakPolarHBondContact OG-CG 3.2Å; S249-Q252 PolarHBondContact OG-N 3.17Å; S249-Q252 VanDerWaalsContact OG-N 3.07Å; S249-I253 WeakPolarHBondContact O-CG1 3.44Å; S249-I253 PolarHBondContact O-N 3.09Å
250	D	88.5	Confident	92	Very high	100 Å²	100	39.7 Å²	39.7	54%	0.535	21%	0.207	S	C	.	.	H	α-helix	trans	-59	-26.8	173.2	-75.6	-40.1	0	0	0	112.6	I253 R254	D250-I253 PolarHBondContact O-N 2.82Å; D250-R254 WeakPolarHBondContact O-CB 3.28Å; D250-R254 WeakPolarHBondContact O-CG 3.38Å; D250-R254 PolarHBondContact O-N 3.04Å
251	S	86.1	Confident	91.4	Very high	46 Å²	46	38.9 Å²	38.9	32%	0.322	20%	0.204	S	C	.	.	H	α-helix	trans	-73.4	-37	174.4	62.5	0	0	0	0	112.6	S249 R255	S249-S251 PolarHBondContact O-N 3.08Å; S249-S251 VanDerWaalsContact O-N 3.15Å; S249-S251 PolarHBondContact OG-OG 3.3Å; S251-R255 WeakPolarHBondContact O-CB 3.31Å; S251-R255 PolarHBondContact O-N 3.49Å
252	Q	88.3	Confident	90.7	Very high	51 Å²	51	41.2 Å²	41.2	24%	0.238	22%	0.216	C	C	.	.	H	α-helix	trans	-64.1	-39.6	168.6	-73.8	168.1	-25	0	0	111.2	I248 S249 R255 M256 E590	I248-Q252 HydrophobicContact CB-CB 4.48Å; I248-Q252 VanDerWaalsContact CB-OE1 3.28Å; S249-Q252 WeakPolarHBondContact O-CB 3.4Å; S249-Q252 PolarHBondContact O-N 2.93Å; S249-Q252 WeakPolarHBondContact OG-CG 3.2Å; S249-Q252 PolarHBondContact OG-N 3.17Å; S249-Q252 VanDerWaalsContact OG-N 3.07Å; Q252-R255 WeakPolarHBondContact O-CB 3.26Å; Q252-R255 PolarHBondContact O-N 3.48Å; Q252-M256 WeakPolarHBondContact O-CG 3.37Å; Q252-M256 PolarHBondContact O-N 3.31Å; Q252-M256 VanDerWaalsContact O-N 3.09Å; Q252-E590 PolarHBondContact NE2-OE2 3.35Å
253	I	92	Very high	90.1	Very high	7 Å²	7	39.2 Å²	39.2	4%	0.036	21%	0.209	C	C	.	.	H	α-helix	trans	-66.4	-45.4	176.6	-59.9	162.2	0	0	0	111	L121 F130 V192 I248 S249 D250 R255 M256 A257	L121-I253 HydrophobicContact CD1-CG2 4.16Å; F130-I253 HydrophobicContact CB-CG2 3.57Å; F130-I253 HydrophobicContact CD1-CG2 4.37Å; F130-I253 HydrophobicContact CD2-CG2 3.63Å; F130-I253 HydrophobicContact CE2-CG2 4.44Å; F130-I253 HydrophobicContact CG-CG2 3.59Å; V192-I253 HydrophobicContact CB-CD1 3.87Å; V192-I253 HydrophobicContact CB-CG1 4.36Å; V192-I253 HydrophobicContact CG1-CD1 4.24Å; V192-I253 HydrophobicContact CG1-CG1 4.2Å; I248-I253 HydrophobicContact CD1-CD1 4.25Å; I248-I253 HydrophobicContact CD1-CG1 3.56Å; I248-I253 HydrophobicContact CG1-CD1 4.08Å; I248-I253 HydrophobicContact CG1-CG1 3.85Å; S249-I253 WeakPolarHBondContact O-CG1 3.44Å; S249-I253 PolarHBondContact O-N 3.09Å; D250-I253 PolarHBondContact O-N 2.82Å; I253-R255 VanDerWaalsContact C-N 3.34Å; I253-R255 PolarHBondContact O-N 2.86Å; I253-M256 HydrophobicContact CG1-CE 4.42Å; I253-M256 PolarHBondContact O-N 2.95Å; I253-A257 PolarHBondContact O-N 3.04Å
254	R	89	Confident	89.2	Confident	46 Å²	46	41.4 Å²	41.4	17%	0.174	22%	0.219	C	C	.	.	H	α-helix	trans	-57.7	-43.7	173.3	-82.3	-173	-74.8	-79.1	-1.4	111.7	F130 D250 A257 A258 L311 E318	F130-R254 HydrophobicContact CE2-CG 4.18Å; D250-R254 WeakPolarHBondContact O-CB 3.28Å; D250-R254 WeakPolarHBondContact O-CG 3.38Å; D250-R254 PolarHBondContact O-N 3.04Å; R254-A257 PolarHBondContact O-N 3.28Å; R254-A258 WeakPolarHBondContact O-CB 3.49Å; R254-A258 PolarHBondContact O-N 2.88Å; R254-L311 HydrophobicContact CG-CD1 4.11Å; R254-E318 IonicContact CZ-OE1 3.25Å; R254-E318 IonicContact CZ-OE2 2.71Å; R254-E318 VanDerWaalsContact CZ-OE2 3.24Å; R254-E318 IonicContact NE-OE1 2.66Å; R254-E318 IonicContact NE-OE2 3.42Å; R254-E318 PolarHBondContact NE-OE2 3.22Å; R254-E318 IonicContact NH2-OE1 3.37Å; R254-E318 PolarHBondContact NH2-OE1 3.26Å; R254-E318 IonicContact NH2-OE2 3.32Å; R254-E318 PolarHBondContact NH2-OE2 2.87Å; R254-E318 VanDerWaalsContact NH2-OE2 3.08Å
255	R	88.8	Confident	88.3	Confident	108 Å²	108	47.9 Å²	47.9	41%	0.408	24%	0.243	S	C	.	.	H	α-helix	trans	-54.8	-54.4	175.6	-159.2	-170.5	-52.7	163.1	7.1	111.3	S251 Q252 I253 A257 A258 E259 E590	S251-R255 WeakPolarHBondContact O-CB 3.31Å; S251-R255 PolarHBondContact O-N 3.49Å; Q252-R255 WeakPolarHBondContact O-CB 3.26Å; Q252-R255 PolarHBondContact O-N 3.48Å; I253-R255 VanDerWaalsContact C-N 3.34Å; I253-R255 PolarHBondContact O-N 2.86Å; R255-A257 VanDerWaalsContact C-N 3.29Å; R255-A257 PolarHBondContact O-N 2.92Å; R255-A258 PolarHBondContact O-N 3.19Å; R255-E259 WeakPolarHBondContact O-CG 3.23Å; R255-E259 PolarHBondContact O-N 3Å; R255-E590 IonicContact CZ-OE1 2.66Å; R255-E590 IonicContact NH1-OE1 2.9Å; R255-E590 IonicContact NH1-OE2 2.63Å; R255-E590 IonicContact NH2-OE1 3.72Å; R255-E590 PolarHBondContact NH2-OE1 3.23Å; R255-E590 IonicContact NH2-OE2 3.18Å
256	M	88.8	Confident	87.6	Confident	37 Å²	37	54.5 Å²	54.5	18%	0.182	27%	0.265	C	S	.	.	H	α-helix	trans	-61.1	-33.2	177.3	-70.8	-170.3	-70	0	0	113.8	R109 I248 Q252 I253 A260	R109-M256 PolarHBondContact NH2-SD 3.34Å; I248-M256 HydrophobicContact CD1-CE 3.54Å; Q252-M256 WeakPolarHBondContact O-CG 3.37Å; Q252-M256 PolarHBondContact O-N 3.31Å; Q252-M256 VanDerWaalsContact O-N 3.09Å; I253-M256 HydrophobicContact CG1-CE 4.42Å; I253-M256 PolarHBondContact O-N 2.95Å; M256-A260 WeakPolarHBondContact O-CB 3.44Å; M256-A260 PolarHBondContact O-N 2.91Å
257	A	90.7	Very high	86.6	Confident	0 Å²	0	56.5 Å²	56.5	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-74.1	-41.8	176.8	0	0	0	0	0	112.1	V108 L121 F130 I253 R254 R255 A260 L261	V108-A257 HydrophobicContact CG1-CB 4.06Å; L121-A257 HydrophobicContact CD2-CB 4.35Å; F130-A257 HydrophobicContact CD1-CB 4.41Å; F130-A257 HydrophobicContact CE1-CB 3.48Å; F130-A257 VanDerWaalsContact CE1-CB 3.48Å; F130-A257 HydrophobicContact CE2-CB 4.25Å; F130-A257 HydrophobicContact CZ-CB 3.38Å; I253-A257 PolarHBondContact O-N 3.04Å; R254-A257 PolarHBondContact O-N 3.28Å; R255-A257 VanDerWaalsContact C-N 3.29Å; R255-A257 PolarHBondContact O-N 2.92Å; A257-A260 PolarHBondContact O-N 3.3Å; A257-L261 WeakPolarHBondContact O-CG 3.41Å; A257-L261 PolarHBondContact O-N 3.48Å
258	A	87.8	Confident	85.7	Confident	41 Å²	41	59.2 Å²	59.2	34%	0.339	31%	0.307	S	S	.	.	H	α-helix	trans	-64.3	-44.8	176.9	0	0	0	0	0	111.6	R254 R255 A260 L261 D262 L311	R254-A258 WeakPolarHBondContact O-CB 3.49Å; R254-A258 PolarHBondContact O-N 2.88Å; R255-A258 PolarHBondContact O-N 3.19Å; A258-A260 VanDerWaalsContact C-N 3.32Å; A258-A260 PolarHBondContact O-N 3.45Å; A258-L261 PolarHBondContact O-N 3.39Å; A258-D262 VanDerWaalsContact O-CB 3.31Å; A258-D262 WeakPolarHBondContact O-CB 3.5Å; A258-D262 PolarHBondContact O-N 3.42Å; A258-L311 HydrophobicContact CB-CD2 4.4Å
259	E	87.2	Confident	84.8	Confident	115 Å²	115	64.7 Å²	64.7	54%	0.537	33%	0.332	S	S	.	.	H	α-helix	trans	-56	-45.1	171.6	-73.1	167.3	-159.6	0	0	111.9	R255 A263	R255-E259 WeakPolarHBondContact O-CG 3.23Å; R255-E259 PolarHBondContact O-N 3Å; E259-A263 WeakPolarHBondContact O-CB 3.49Å; E259-A263 PolarHBondContact O-N 3.44Å
260	A	87.7	Confident	84.2	Confident	2 Å²	2	64 Å²	64	2%	0.017	32%	0.324	C	S	.	.	H	α-helix	trans	-63	-45.2	179.6	0	0	0	0	0	112.4	V108 R109 M256 A257 A258 Q264	V108-A260 HydrophobicContact CG1-CB 3.94Å; R109-A260 HydrophobicContact CB-CB 4.13Å; M256-A260 WeakPolarHBondContact O-CB 3.44Å; M256-A260 PolarHBondContact O-N 2.91Å; A257-A260 PolarHBondContact O-N 3.3Å; A258-A260 VanDerWaalsContact C-N 3.32Å; A258-A260 PolarHBondContact O-N 3.45Å; A260-Q264 WeakPolarHBondContact O-CG 3.37Å; A260-Q264 PolarHBondContact O-N 3.33Å
261	L	84.6	Confident	83.7	Confident	11 Å²	11	61.6 Å²	61.6	6%	0.058	32%	0.315	C	S	.	.	H	α-helix	trans	-71.4	-38.7	179.7	-69.7	169.1	0	0	0	112.5	A257 A258 Q264 R265 L307 L311	A257-L261 WeakPolarHBondContact O-CG 3.41Å; A257-L261 PolarHBondContact O-N 3.48Å; A258-L261 PolarHBondContact O-N 3.39Å; L261-Q264 WeakPolarHBondContact O-CB 3.48Å; L261-Q264 PolarHBondContact O-N 3.41Å; L261-R265 VanDerWaalsContact O-CB 3.27Å; L261-R265 WeakPolarHBondContact O-CB 3.5Å; L261-R265 PolarHBondContact O-N 2.7Å; L261-L307 HydrophobicContact CD1-CD2 4.11Å; L261-L307 HydrophobicContact CD1-CG 4.19Å; L261-L307 HydrophobicContact CD2-CD2 3.9Å; L261-L311 HydrophobicContact CD1-CD2 3.68Å
262	D	84.2	Confident	83	Confident	50 Å²	50	61.1 Å²	61.1	27%	0.267	32%	0.317	S	S	.	.	H	α-helix	trans	-65.7	-43.6	176.6	174.4	78.6	0	0	0	111.8	A258 Q264 R265 R266	A258-D262 VanDerWaalsContact O-CB 3.31Å; A258-D262 WeakPolarHBondContact O-CB 3.5Å; A258-D262 PolarHBondContact O-N 3.42Å; D262-Q264 VanDerWaalsContact C-N 3.33Å; D262-Q264 PolarHBondContact O-N 2.75Å; D262-R265 WeakPolarHBondContact O-CB 3.3Å; D262-R265 PolarHBondContact O-N 2.87Å; D262-R265 VanDerWaalsContact O-N 3.14Å; D262-R266 VanDerWaalsContact CG-CZ 3.46Å; D262-R266 WeakPolarHBondContact O-CB 3.34Å; D262-R266 WeakPolarHBondContact O-CG 3.29Å; D262-R266 PolarHBondContact O-N 2.87Å; D262-R266 IonicContact OD1-CZ 3.21Å; D262-R266 IonicContact OD1-NE 2.82Å; D262-R266 PolarHBondContact OD1-NE 3.32Å; D262-R266 IonicContact OD1-NH2 2.82Å; D262-R266 PolarHBondContact OD1-NH2 3.42Å; D262-R266 WeakPolarHBondContact OD2-CD 3.23Å; D262-R266 IonicContact OD2-CZ 3.67Å; D262-R266 IonicContact OD2-NE 2.81Å; D262-R266 PolarHBondContact OD2-NE 3.33Å; D262-R266 IonicContact OD2-NH1 3.46Å; D262-R266 IonicContact OD2-NH2 2.72Å; D262-R266 PolarHBondContact OD2-NH2 3.12Å
263	A	82.5	Confident	82.6	Confident	12 Å²	12	59.1 Å²	59.1	10%	0.099	31%	0.309	C	S	.	.	H	α-helix	trans	-58.8	-44.8	173.6	0	0	0	0	0	111.5	E259 R265 R266 G267 V268 L270	E259-A263 WeakPolarHBondContact O-CB 3.49Å; E259-A263 PolarHBondContact O-N 3.44Å; A263-R265 PolarHBondContact O-N 3.11Å; A263-R266 PolarHBondContact O-N 2.93Å; A263-G267 PolarHBondContact O-N 3.44Å; A263-V268 HydrophobicContact CB-CB 4.36Å; A263-V268 PolarHBondContact O-N 3.14Å; A263-L270 HydrophobicContact CB-CD2 3.51Å; A263-L270 HydrophobicContact CB-CG 4.26Å
264	Q	79.6	Confident	82	Confident	60 Å²	60	59 Å²	59	28%	0.28	31%	0.309	S	S	.	.	H	α-helix	trans	-58.9	-45.4	172.6	-75.7	-170.7	-19	0	0	112.8	A260 L261 D262 R266 G267	A260-Q264 WeakPolarHBondContact O-CG 3.37Å; A260-Q264 PolarHBondContact O-N 3.33Å; L261-Q264 WeakPolarHBondContact O-CB 3.48Å; L261-Q264 PolarHBondContact O-N 3.41Å; D262-Q264 VanDerWaalsContact C-N 3.33Å; D262-Q264 PolarHBondContact O-N 2.75Å; Q264-R266 VanDerWaalsContact C-N 3.35Å; Q264-R266 PolarHBondContact O-N 2.78Å; Q264-G267 PolarHBondContact O-N 2.64Å; Q264-G267 VanDerWaalsContact O-N 3.1Å
265	R	77.9	Confident	81.7	Confident	136 Å²	136	58.4 Å²	58.4	51%	0.513	31%	0.311	S	S	.	.	H	α-helix	trans	-63.2	-39.3	-180	-173.7	-172.4	-81	170.6	-11.4	111.5	L261 D262 A263 G267 E308	L261-R265 VanDerWaalsContact O-CB 3.27Å; L261-R265 WeakPolarHBondContact O-CB 3.5Å; L261-R265 PolarHBondContact O-N 2.7Å; D262-R265 WeakPolarHBondContact O-CB 3.3Å; D262-R265 PolarHBondContact O-N 2.87Å; D262-R265 VanDerWaalsContact O-N 3.14Å; A263-R265 PolarHBondContact O-N 3.11Å; R265-G267 VanDerWaalsContact C-N 3.3Å; R265-E308 IonicContact CZ-OE2 2.9Å; R265-E308 IonicContact NE-OE2 3.36Å; R265-E308 PolarHBondContact NE-OE2 3.31Å; R265-E308 IonicContact NH2-OE2 2.96Å; R265-E308 PolarHBondContact NH2-OE2 3.29Å
266	R	82.3	Confident	81.4	Confident	179 Å²	179	54.5 Å²	54.5	68%	0.675	30%	0.3	S	S	*	.	H	α-helix	trans	-76.7	-12.8	174.2	-65	-179.6	-166.5	-177	16.5	113.4	D262 A263 Q264 V268	D262-R266 VanDerWaalsContact CG-CZ 3.46Å; D262-R266 WeakPolarHBondContact O-CB 3.34Å; D262-R266 WeakPolarHBondContact O-CG 3.29Å; D262-R266 PolarHBondContact O-N 2.87Å; D262-R266 IonicContact OD1-CZ 3.21Å; D262-R266 IonicContact OD1-NE 2.82Å; D262-R266 PolarHBondContact OD1-NE 3.32Å; D262-R266 IonicContact OD1-NH2 2.82Å; D262-R266 PolarHBondContact OD1-NH2 3.42Å; D262-R266 WeakPolarHBondContact OD2-CD 3.23Å; D262-R266 IonicContact OD2-CZ 3.67Å; D262-R266 IonicContact OD2-NE 2.81Å; D262-R266 PolarHBondContact OD2-NE 3.33Å; D262-R266 IonicContact OD2-NH1 3.46Å; D262-R266 IonicContact OD2-NH2 2.72Å; D262-R266 PolarHBondContact OD2-NH2 3.12Å; A263-R266 PolarHBondContact O-N 2.93Å; Q264-R266 VanDerWaalsContact C-N 3.35Å; Q264-R266 PolarHBondContact O-N 2.78Å; R266-V268 HydrophobicContact CB-CG2 3.84Å; R266-V268 PolarHBondContact O-N 2.41Å
267	G	76.1	Confident	81.1	Confident	68 Å²	68	54.7 Å²	54.7	70%	0.701	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.5	17.1	-172.5	0	0	0	0	0	113.7	A263 Q264 R265	A263-G267 PolarHBondContact O-N 3.44Å; Q264-G267 PolarHBondContact O-N 2.64Å; Q264-G267 VanDerWaalsContact O-N 3.1Å; R265-G267 VanDerWaalsContact C-N 3.3Å
268	V	76.3	Confident	80.6	Confident	86 Å²	86	55.9 Å²	55.9	52%	0.521	31%	0.313	S	S	.	.	P	Polyproline II helix	trans	-75.8	134.5	173.7	175	0	0	0	0	108	A263 R266 L270	A263-V268 HydrophobicContact CB-CB 4.36Å; A263-V268 PolarHBondContact O-N 3.14Å; R266-V268 HydrophobicContact CB-CG2 3.84Å; R266-V268 PolarHBondContact O-N 2.41Å; V268-L270 PolarHBondContact O-N 2.82Å
269	Q	73.3	Confident	80.1	Confident	157 Å²	157	57.7 Å²	57.7	73%	0.734	32%	0.321	S	S	*	.	P	Polyproline II helix	trans	-75	126.5	174.1	-170.7	177.3	-31.8	0	0	109.2
270	L	77.3	Confident	79.4	Confident	32 Å²	32	61.5 Å²	61.5	17%	0.168	34%	0.336	C	S	.	.	P	Polyproline II helix	trans	-57.9	165.9	171.5	-66.5	170.5	0	0	0	112.1	I97 A263 V268 A274 V275	I97-L270 HydrophobicContact CD1-CD1 3.7Å; A263-L270 HydrophobicContact CB-CD2 3.51Å; A263-L270 HydrophobicContact CB-CG 4.26Å; V268-L270 PolarHBondContact O-N 2.82Å; L270-A274 HydrophobicContact CB-CB 4Å; L270-A274 HydrophobicContact CD1-CB 4.43Å; L270-V275 HydrophobicContact CB-CG1 4.02Å; L270-V275 HydrophobicContact CD1-CG1 4.37Å
271	S	77	Confident	78	Confident	50 Å²	50	67 Å²	67	35%	0.35	36%	0.362	S	S	.	.	P	Polyproline II helix	trans	-50.9	152.1	169.3	-172.7	0	0	0	0	111.7	S273 A274	S271-S273 VanDerWaalsContact C-N 3.28Å; S271-S273 WeakPolarHBondContact CB-OG 3.38Å; S271-S273 PolarHBondContact O-N 3.35Å; S271-S273 PolarHBondContact OG-OG 2.77Å; S271-A274 PolarHBondContact O-N 3.28Å
272	G	72.5	Confident	76.1	Confident	35 Å²	35	75.9 Å²	75.9	36%	0.361	40%	0.399	S	S	.	.	G	3₁₀ helix	trans	-56.5	-42.8	178.1	0	0	0	0	0	112.3	Q81 A274 V275	Q81-G272 PolarHBondContact OE1-O 3.31Å; G272-A274 PolarHBondContact O-N 3.08Å; G272-V275 WeakPolarHBondContact O-CG2 3.36Å; G272-V275 PolarHBondContact O-N 3.22Å; G272-V275 VanDerWaalsContact O-O 3.06Å
273	S	78.7	Confident	74	Confident	9 Å²	9	80.9 Å²	80.9	6%	0.063	42%	0.421	C	S	.	.	G	3₁₀ helix	trans	-56.8	-30.1	173	53.3	0	0	0	0	115.2	D77 K110 S271	D77-S273 VanDerWaalsContact CG-OG 3.29Å; D77-S273 VanDerWaalsContact O-CB 3.28Å; D77-S273 WeakPolarHBondContact O-CB 3.34Å; D77-S273 PolarHBondContact O-OG 3.47Å; D77-S273 WeakPolarHBondContact OD2-CB 3.48Å; D77-S273 PolarHBondContact OD2-OG 2.71Å; K110-S273 WeakPolarHBondContact CB-O 3.42Å; K110-S273 VanDerWaalsContact CD-O 3.26Å; K110-S273 WeakPolarHBondContact CD-O 3.44Å; K110-S273 WeakPolarHBondContact CG-O 3.37Å; S271-S273 VanDerWaalsContact C-N 3.28Å; S271-S273 WeakPolarHBondContact CB-OG 3.38Å; S271-S273 PolarHBondContact O-N 3.35Å; S271-S273 PolarHBondContact OG-OG 2.77Å
274	A	80.6	Confident	72	Confident	6 Å²	6	87 Å²	87	5%	0.05	45%	0.452	C	S	.	.	G	3₁₀ helix	trans	-89.4	0.2	-175.3	0	0	0	0	0	113.3	K110 L270 S271 G272	K110-A274 VanDerWaalsContact CB-C 3.48Å; K110-A274 WeakPolarHBondContact CB-O 3.34Å; K110-A274 PolarHBondContact N-O 2.97Å; L270-A274 HydrophobicContact CB-CB 4Å; L270-A274 HydrophobicContact CD1-CB 4.43Å; S271-A274 PolarHBondContact O-N 3.28Å; G272-A274 PolarHBondContact O-N 3.08Å
275	V	81.7	Confident	69.9	Low	33 Å²	33	90.1 Å²	90.1	20%	0.2	47%	0.471	C	S	.	.	S	Bend	trans	-129.6	161.8	177.5	-61	0	0	0	0	111.6	I97 K110 L270 G272	I97-V275 HydrophobicContact CD1-CG1 3.98Å; K110-V275 WeakPolarHBondContact CD-O 3.42Å; K110-V275 PolarHBondContact NZ-O 2.49Å; K110-V275 VanDerWaalsContact NZ-O 3.16Å; L270-V275 HydrophobicContact CB-CG1 4.02Å; L270-V275 HydrophobicContact CD1-CG1 4.37Å; G272-V275 WeakPolarHBondContact O-CG2 3.36Å; G272-V275 PolarHBondContact O-N 3.22Å; G272-V275 VanDerWaalsContact O-O 3.06Å
276	S	82.7	Confident	68.5	Low	26 Å²	26	90 Å²	90	18%	0.182	49%	0.485	C	S	.	.			trans	-76.2	142.4	171.1	171	0	0	0	0	110.4	E82 Y87 A278	E82-S276 WeakPolarHBondContact OE1-CA 3.2Å; Y87-S276 PolarHBondContact OH-OG 3.46Å; S276-A278 PolarHBondContact O-N 2.91Å; S276-A278 WeakPolarHBondContact OG-CB 3.42Å; S276-A278 PolarHBondContact OG-N 2.91Å
277	T	83.3	Confident	66.9	Low	40 Å²	40	89.7 Å²	89.7	25%	0.245	49%	0.489	C	S	.	.			trans	-79.9	0.2	170.9	66	0	0	0	0	113.8	Q81 E82	Q81-T277 HydrophobicContact CB-CG2 3.49Å; Q81-T277 VanDerWaalsContact CB-CG2 3.49Å; Q81-T277 HydrophobicContact CG-CG2 4.03Å; E82-T277 VanDerWaalsContact CD-OG1 3.28Å; E82-T277 WeakPolarHBondContact CG-OG1 3.38Å; E82-T277 PolarHBondContact O-OG1 2.83Å; E82-T277 PolarHBondContact OE1-N 3.23Å; E82-T277 PolarHBondContact OE1-OG1 3.17Å
278	A	80	Confident	66.2	Low	25 Å²	25	90.5 Å²	90.5	21%	0.207	48%	0.475	C	S	.	.			trans	-45.2	128	-177	0	0	0	0	0	112.4	Y87 P94 S276 K280	Y87-A278 HydrophobicContact CD1-CB 3.83Å; Y87-A278 VanDerWaalsContact CD2-CA 3.5Å; Y87-A278 HydrophobicContact CD2-CB 3.99Å; Y87-A278 HydrophobicContact CE1-CB 3.83Å; Y87-A278 HydrophobicContact CE2-CB 3.93Å; Y87-A278 HydrophobicContact CG-CB 3.92Å; P94-A278 HydrophobicContact CB-CB 3.74Å; S276-A278 PolarHBondContact O-N 2.91Å; S276-A278 WeakPolarHBondContact OG-CB 3.42Å; S276-A278 PolarHBondContact OG-N 2.91Å; A278-K280 PolarHBondContact O-N 2.83Å
279	P	77	Confident	66.2	Low	80 Å²	80	90.6 Å²	90.6	52%	0.519	48%	0.476	S	S	.	.			trans	-50.9	126.7	176.3	-28.9	35.7	0	0	0	111.3	P84 E281	P84-P279 HydrophobicContact CB-CG 4.38Å; P279-E281 PolarHBondContact O-N 2.93Å
280	K	71.3	Confident	66.4	Low	195 Å²	195	92.3 Å²	92.3	85%	0.848	48%	0.481	S	S	*	.			trans	-59.2	109.6	178.2	-70.6	177.5	-178.5	171.7	0	108.9	A278 K282	A278-K280 PolarHBondContact O-N 2.83Å; K280-K282 PolarHBondContact O-N 3.21Å
281	E	59.3	Low	66.4	Low	118 Å²	118	94.3 Å²	94.3	55%	0.551	50%	0.498	S	S	*	.			trans	-38.2	111.9	-178.7	-70.2	165.1	161.9	0	0	111.2	K96 P279 Q283	K96-E281 IonicContact NZ-OE1 3.05Å; K96-E281 PolarHBondContact NZ-OE1 2.8Å; K96-E281 IonicContact NZ-OE2 3.92Å; K96-E281 PolarHBondContact NZ-OE2 2.94Å; P279-E281 PolarHBondContact O-N 2.93Å; E281-Q283 PolarHBondContact O-N 2.87Å; E281-Q283 VanDerWaalsContact O-N 3.11Å
282	K	45.1	Very low	66.5	Low	196 Å²	196	100.2 Å²	100.2	85%	0.852	51%	0.513	S	S	*	.			trans	-55.8	120.4	162.7	-71	177.9	-178.9	172.1	0	105.5	K280 D284	K280-K282 PolarHBondContact O-N 3.21Å; K282-D284 PolarHBondContact O-N 2.81Å
283	Q	40.5	Very low	66.7	Low	156 Å²	156	104.1 Å²	104.1	73%	0.729	52%	0.52	S	S	*	.			trans	-72.1	83.7	-178.1	-79.9	175.3	24	0	0	109.6	E281	E281-Q283 PolarHBondContact O-N 2.87Å; E281-Q283 VanDerWaalsContact O-N 3.11Å
284	D	39.5	Very low	66.8	Low	140 Å²	140	113.5 Å²	113.5	75%	0.749	55%	0.554	S	S	*	*			trans	-56	142	168.3	-102.5	-40.8	0	0	0	110	K282 T286	K282-D284 PolarHBondContact O-N 2.81Å; D284-T286 PolarHBondContact O-N 2.93Å
285	N	35.3	Very low	67	Low	125 Å²	125	122.3 Å²	122.3	67%	0.668	59%	0.586	S	S	*	*	S	Bend	trans	-78.1	26.9	-151	-105.6	-71.5	0	0	0	115.6	K287	N285-K287 PolarHBondContact O-N 2.85Å; N285-K287 WeakPolarHBondContact OD1-CE 3.46Å
286	T	47.8	Very low	66.6	Low	133 Å²	133	124.7 Å²	124.7	82%	0.816	60%	0.597	S	S	*	*			trans	-67.5	78.1	161.8	55.3	0	0	0	0	109.5	D284 M288	D284-T286 PolarHBondContact O-N 2.93Å; T286-M288 VanDerWaalsContact C-N 3.28Å; T286-M288 PolarHBondContact O-N 2.86Å
287	K	48.8	Very low	66.4	Low	173 Å²	173	129.3 Å²	129.3	75%	0.752	61%	0.614	S	S	*	*			trans	-62.1	83.3	-178.1	-74.4	175.9	-176.6	164.4	0	111.6	N285 T289	N285-K287 PolarHBondContact O-N 2.85Å; N285-K287 WeakPolarHBondContact OD1-CE 3.46Å; K287-T289 PolarHBondContact O-N 2.88Å; K287-T289 VanDerWaalsContact O-N 3.11Å
288	M	62.9	Low	66.5	Low	85 Å²	85	135.3 Å²	135.3	42%	0.419	64%	0.636	S	S	.	*			trans	-47.7	121	169	-178.6	-174.7	-66.6	0	0	108.6	T286 R292 K293	T286-M288 VanDerWaalsContact C-N 3.28Å; T286-M288 PolarHBondContact O-N 2.86Å; M288-R292 HydrophobicContact CG-CB 3.71Å; M288-R292 HydrophobicContact CG-CG 3.81Å; M288-R292 HydrophobicContact SD-CB 4.25Å; M288-R292 HydrophobicContact SD-CG 3.93Å; M288-K293 HydrophobicContact CG-CB 4.33Å; M288-K293 HydrophobicContact SD-CB 3.95Å
289	T	75.5	Confident	66.6	Low	88 Å²	88	139.5 Å²	139.5	54%	0.54	65%	0.652	S	S	.	*			trans	-55.1	145.9	-172.6	67.2	0	0	0	0	110.7	K287 S291 R292 K293	K287-T289 PolarHBondContact O-N 2.88Å; K287-T289 VanDerWaalsContact O-N 3.11Å; T289-S291 CarbonylContact O-C 3.55Å; T289-S291 PolarHBondContact O-N 2.99Å; T289-R292 PolarHBondContact O-N 2.93Å; T289-R292 PolarHBondContact OG1-N 2.88Å; T289-R292 VanDerWaalsContact OG1-N 3.14Å; T289-K293 PolarHBondContact O-N 2.88Å
290	K	78.3	Confident	66.5	Low	193 Å²	193	139.9 Å²	139.9	84%	0.839	65%	0.647	S	S	*	*	H	α-helix	trans	-53	-26.6	177.3	-67.6	-178.9	-179.7	176.6	0	112	R294	K290-R294 VanDerWaalsContact O-CB 3.31Å; K290-R294 WeakPolarHBondContact O-CB 3.2Å; K290-R294 WeakPolarHBondContact O-CG 3.37Å; K290-R294 PolarHBondContact O-N 3.16Å; K290-R294 VanDerWaalsContact O-N 3.15Å
291	S	77.2	Confident	67	Low	74 Å²	74	138.5 Å²	138.5	52%	0.517	64%	0.636	S	S	.	*	H	α-helix	trans	-69.3	-55.1	170.6	-171	0	0	0	0	112.9	T289 K293 R294 R295	T289-S291 CarbonylContact O-C 3.55Å; T289-S291 PolarHBondContact O-N 2.99Å; S291-K293 VanDerWaalsContact C-N 3.34Å; S291-K293 PolarHBondContact O-N 2.89Å; S291-R294 CarbonylContact O-C 3.6Å; S291-R294 PolarHBondContact O-N 3.17Å; S291-R294 VanDerWaalsContact O-N 3.11Å; S291-R295 PolarHBondContact O-N 3.43Å
292	R	78.7	Confident	68.2	Low	174 Å²	174	140.6 Å²	140.6	66%	0.657	64%	0.643	S	S	*	*	H	α-helix	trans	-60.8	-40.3	178.9	-172.4	173.4	178.4	-172.8	1	111.7	M288 T289 R294 R295 L296	M288-R292 HydrophobicContact CG-CB 3.71Å; M288-R292 HydrophobicContact CG-CG 3.81Å; M288-R292 HydrophobicContact SD-CB 4.25Å; M288-R292 HydrophobicContact SD-CG 3.93Å; T289-R292 PolarHBondContact O-N 2.93Å; T289-R292 PolarHBondContact OG1-N 2.88Å; T289-R292 VanDerWaalsContact OG1-N 3.14Å; R292-R294 PolarHBondContact O-N 3.34Å; R292-R295 PolarHBondContact O-N 2.88Å; R292-L296 PolarHBondContact O-N 3.48Å
293	K	77	Confident	69.8	Low	118 Å²	118	133.8 Å²	133.8	51%	0.513	62%	0.615	S	S	.	*	H	α-helix	trans	-65.4	-35	174.5	-168.3	164.3	-174.4	163.9	0	113	M288 T289 S291 K297	M288-K293 HydrophobicContact CG-CB 4.33Å; M288-K293 HydrophobicContact SD-CB 3.95Å; T289-K293 PolarHBondContact O-N 2.88Å; S291-K293 VanDerWaalsContact C-N 3.34Å; S291-K293 PolarHBondContact O-N 2.89Å; K293-K297 PolarHBondContact O-N 2.88Å
294	R	80.7	Confident	71.6	Confident	206 Å²	206	129 Å²	129	78%	0.777	59%	0.592	S	S	*	*	H	α-helix	trans	-70.2	-40.9	171.2	-87.9	-178.2	162.3	-164.8	-5	112.6	K290 S291 R292 K298	K290-R294 VanDerWaalsContact O-CB 3.31Å; K290-R294 WeakPolarHBondContact O-CB 3.2Å; K290-R294 WeakPolarHBondContact O-CG 3.37Å; K290-R294 PolarHBondContact O-N 3.16Å; K290-R294 VanDerWaalsContact O-N 3.15Å; S291-R294 CarbonylContact O-C 3.6Å; S291-R294 PolarHBondContact O-N 3.17Å; S291-R294 VanDerWaalsContact O-N 3.11Å; R292-R294 PolarHBondContact O-N 3.34Å; R294-K298 WeakPolarHBondContact O-CB 3.39Å; R294-K298 PolarHBondContact O-N 3Å
295	R	83.8	Confident	73.8	Confident	191 Å²	191	125 Å²	125	72%	0.721	58%	0.578	S	S	*	*	H	α-helix	trans	-61.2	-50.4	176.1	-76.8	-173.8	174.2	-169	-2.1	110.9	S291 R292 K297 K298 Q299	S291-R295 PolarHBondContact O-N 3.43Å; R292-R295 PolarHBondContact O-N 2.88Å; R295-K297 PolarHBondContact O-N 3.24Å; R295-K298 WeakPolarHBondContact O-CA 3.35Å; R295-K298 WeakPolarHBondContact O-CB 3.28Å; R295-K298 PolarHBondContact O-N 3.46Å; R295-Q299 PolarHBondContact O-N 3.37Å
296	L	74.2	Confident	76.1	Confident	82 Å²	82	122.3 Å²	122.3	43%	0.429	56%	0.563	S	S	.	*	H	α-helix	trans	-57.4	-47.5	178.4	-159.9	78.8	0	0	0	111.7	R292 K298 Q299 Q300	R292-L296 PolarHBondContact O-N 3.48Å; L296-K298 VanDerWaalsContact C-N 3.3Å; L296-K298 PolarHBondContact O-N 2.93Å; L296-Q299 WeakPolarHBondContact O-CB 3.37Å; L296-Q299 PolarHBondContact O-N 3.49Å; L296-Q299 VanDerWaalsContact O-N 3.14Å; L296-Q300 WeakPolarHBondContact O-CG 3.48Å; L296-Q300 PolarHBondContact O-N 2.84Å
297	K	79.1	Confident	77.6	Confident	123 Å²	123	116 Å²	116	54%	0.535	53%	0.525	S	S	.	.	H	α-helix	trans	-66.9	-26.1	176.5	-172.4	163.1	-175.2	165.7	0	113.6	K293 R295 R301	K293-K297 PolarHBondContact O-N 2.88Å; R295-K297 PolarHBondContact O-N 3.24Å; K297-R301 WeakPolarHBondContact O-CB 3.48Å; K297-R301 VanDerWaalsContact O-CG 3.3Å; K297-R301 WeakPolarHBondContact O-CG 3.36Å; K297-R301 PolarHBondContact O-N 3.15Å
298	K	85.5	Confident	79.3	Confident	167 Å²	167	109.4 Å²	109.4	73%	0.726	50%	0.497	S	S	*	.	H	α-helix	trans	-73.4	-38.2	171.1	-171.5	-177.7	177.7	-173.4	0	111.2	R294 R295 L296 R301 K302	R294-K298 WeakPolarHBondContact O-CB 3.39Å; R294-K298 PolarHBondContact O-N 3Å; R295-K298 WeakPolarHBondContact O-CA 3.35Å; R295-K298 WeakPolarHBondContact O-CB 3.28Å; R295-K298 PolarHBondContact O-N 3.46Å; L296-K298 VanDerWaalsContact C-N 3.3Å; L296-K298 PolarHBondContact O-N 2.93Å; K298-R301 PolarHBondContact O-N 3.05Å; K298-K302 PolarHBondContact O-N 3.5Å
299	Q	80.2	Confident	80.3	Confident	113 Å²	113	110.3 Å²	110.3	53%	0.528	50%	0.5	S	S	.	.	H	α-helix	trans	-65.9	-51.3	177.4	-174.9	174	-1	0	0	111.3	R295 L296 R301 K302 Q303	R295-Q299 PolarHBondContact O-N 3.37Å; L296-Q299 WeakPolarHBondContact O-CB 3.37Å; L296-Q299 PolarHBondContact O-N 3.49Å; L296-Q299 VanDerWaalsContact O-N 3.14Å; Q299-R301 VanDerWaalsContact C-N 3.3Å; Q299-R301 PolarHBondContact O-N 2.94Å; Q299-K302 WeakPolarHBondContact O-CA 3.42Å; Q299-K302 WeakPolarHBondContact O-CB 3.49Å; Q299-K302 PolarHBondContact O-N 2.58Å; Q299-Q303 PolarHBondContact O-N 3.09Å; Q299-Q303 PolarHBondContact O-OE1 3.03Å
300	Q	75.6	Confident	80.6	Confident	88 Å²	88	107.1 Å²	107.1	41%	0.411	48%	0.479	S	S	.	.	H	α-helix	trans	-54.4	-45	173.7	-71.5	176	-47.5	0	0	111.7	L296 K302 Q303 Q304	L296-Q300 WeakPolarHBondContact O-CG 3.48Å; L296-Q300 PolarHBondContact O-N 2.84Å; Q300-K302 VanDerWaalsContact C-N 3.32Å; Q300-K302 PolarHBondContact O-N 3.12Å; Q300-Q303 PolarHBondContact O-N 3.44Å; Q300-Q304 WeakPolarHBondContact O-CB 3.43Å; Q300-Q304 PolarHBondContact O-N 2.96Å
301	R	81.9	Confident	80.7	Confident	166 Å²	166	98.6 Å²	98.6	63%	0.626	44%	0.442	S	S	*	.	H	α-helix	trans	-64.3	-30.8	175.3	-80.3	178.4	161.9	-161.8	-9.6	114.1	K297 K298 Q299 A305	K297-R301 WeakPolarHBondContact O-CB 3.48Å; K297-R301 VanDerWaalsContact O-CG 3.3Å; K297-R301 WeakPolarHBondContact O-CG 3.36Å; K297-R301 PolarHBondContact O-N 3.15Å; K298-R301 PolarHBondContact O-N 3.05Å; Q299-R301 VanDerWaalsContact C-N 3.3Å; Q299-R301 PolarHBondContact O-N 2.94Å; R301-A305 VanDerWaalsContact O-CB 3.25Å; R301-A305 WeakPolarHBondContact O-CB 3.03Å; R301-A305 PolarHBondContact O-N 2.72Å
302	K	84.9	Confident	80.8	Confident	161 Å²	161	97.7 Å²	97.7	70%	0.7	43%	0.432	S	S	*	.	H	α-helix	trans	-71.8	-40.8	173.3	-165.7	-164.6	174.3	-163.4	0	110.7	K298 Q299 Q300 A305 L306	K298-K302 PolarHBondContact O-N 3.5Å; Q299-K302 WeakPolarHBondContact O-CA 3.42Å; Q299-K302 WeakPolarHBondContact O-CB 3.49Å; Q299-K302 PolarHBondContact O-N 2.58Å; Q300-K302 VanDerWaalsContact C-N 3.32Å; Q300-K302 PolarHBondContact O-N 3.12Å; K302-A305 PolarHBondContact O-N 3.16Å; K302-L306 WeakPolarHBondContact O-CB 3.36Å; K302-L306 PolarHBondContact O-N 2.8Å
303	Q	77.9	Confident	81	Confident	54 Å²	54	93.8 Å²	93.8	25%	0.252	42%	0.421	S	S	.	.	H	α-helix	trans	-67.9	-41.9	178.5	-70.4	166.8	-55.3	0	0	111.7	Q299 Q300 L306 L307	Q299-Q303 PolarHBondContact O-N 3.09Å; Q299-Q303 PolarHBondContact O-OE1 3.03Å; Q300-Q303 PolarHBondContact O-N 3.44Å; Q303-L306 PolarHBondContact O-N 3.03Å; Q303-L307 PolarHBondContact O-N 2.78Å
304	Q	79.4	Confident	81	Confident	56 Å²	56	90.3 Å²	90.3	26%	0.262	41%	0.408	S	S	.	.	H	α-helix	trans	-62	-47.6	171.9	-177.3	178.7	-5	0	0	111.8	Q300 L306 L307 E308	Q300-Q304 WeakPolarHBondContact O-CB 3.43Å; Q300-Q304 PolarHBondContact O-N 2.96Å; Q304-L306 VanDerWaalsContact C-N 3.28Å; Q304-L306 PolarHBondContact O-N 3.07Å; Q304-L307 PolarHBondContact O-N 2.88Å; Q304-E308 HydrophobicContact CG-CG 4.46Å; Q304-E308 VanDerWaalsContact CG-OE1 3.26Å; Q304-E308 WeakPolarHBondContact CG-OE1 3.46Å; Q304-E308 PolarHBondContact NE2-OE1 2.96Å; Q304-E308 WeakPolarHBondContact O-CG 3.44Å; Q304-E308 PolarHBondContact O-N 2.93Å
305	A	84.7	Confident	80.8	Confident	55 Å²	55	82.3 Å²	82.3	46%	0.455	38%	0.379	S	S	.	.	H	α-helix	trans	-64.1	-31.8	178.1	0	0	0	0	0	113.2	R301 K302 Q309	R301-A305 VanDerWaalsContact O-CB 3.25Å; R301-A305 WeakPolarHBondContact O-CB 3.03Å; R301-A305 PolarHBondContact O-N 2.72Å; K302-A305 PolarHBondContact O-N 3.16Å; A305-Q309 WeakPolarHBondContact O-CB 3.49Å; A305-Q309 PolarHBondContact O-N 3.44Å
306	L	84	Confident	80.6	Confident	68 Å²	68	79.3 Å²	79.3	36%	0.356	37%	0.373	S	S	.	.	H	α-helix	trans	-66.8	-45.2	172.8	-169.9	83.2	0	0	0	111.2	L125 K302 Q303 Q304 Q309 E310	L125-L306 HydrophobicContact CD2-CD2 4.01Å; K302-L306 WeakPolarHBondContact O-CB 3.36Å; K302-L306 PolarHBondContact O-N 2.8Å; Q303-L306 PolarHBondContact O-N 3.03Å; Q304-L306 VanDerWaalsContact C-N 3.28Å; Q304-L306 PolarHBondContact O-N 3.07Å; L306-Q309 PolarHBondContact O-N 2.9Å; L306-E310 WeakPolarHBondContact CG-OE1 3.1Å; L306-E310 WeakPolarHBondContact O-CB 3.45Å; L306-E310 WeakPolarHBondContact O-CG 3.31Å; L306-E310 PolarHBondContact O-N 3.46Å
307	L	79.6	Confident	80.7	Confident	1 Å²	1	80.5 Å²	80.5	1%	0.005	38%	0.379	C	S	.	.	H	α-helix	trans	-63.8	-41.2	175.3	174.5	62.8	0	0	0	112.1	H106 V108 W123 L261 Q303 Q304 Q309 E310 L311	H106-L307 VanDerWaalsContact ND1-CD2 3.32Å; H106-L307 WeakPolarHBondContact ND1-CD2 3.3Å; V108-L307 HydrophobicContact CG2-CD2 3.96Å; W123-L307 HydrophobicContact CB-CD1 3.69Å; W123-L307 HydrophobicContact CD2-CD1 3.92Å; W123-L307 HydrophobicContact CG-CD1 3.45Å; W123-L307 VanDerWaalsContact CG-CD1 3.45Å; L261-L307 HydrophobicContact CD1-CD2 4.11Å; L261-L307 HydrophobicContact CD1-CG 4.19Å; L261-L307 HydrophobicContact CD2-CD2 3.9Å; Q303-L307 PolarHBondContact O-N 2.78Å; Q304-L307 PolarHBondContact O-N 2.88Å; L307-Q309 VanDerWaalsContact C-N 3.33Å; L307-E310 PolarHBondContact O-N 3.33Å; L307-L311 WeakPolarHBondContact O-CB 3.29Å; L307-L311 PolarHBondContact O-N 3.34Å
308	E	83.7	Confident	80.4	Confident	34 Å²	34	77.7 Å²	77.7	16%	0.159	37%	0.368	C	S	.	.	H	α-helix	trans	-63.2	-39.5	176.6	-72.1	177.5	-156.9	0	0	111	R265 Q304 D312	R265-E308 IonicContact CZ-OE2 2.9Å; R265-E308 IonicContact NE-OE2 3.36Å; R265-E308 PolarHBondContact NE-OE2 3.31Å; R265-E308 IonicContact NH2-OE2 2.96Å; R265-E308 PolarHBondContact NH2-OE2 3.29Å; Q304-E308 HydrophobicContact CG-CG 4.46Å; Q304-E308 VanDerWaalsContact CG-OE1 3.26Å; Q304-E308 WeakPolarHBondContact CG-OE1 3.46Å; Q304-E308 PolarHBondContact NE2-OE1 2.96Å; Q304-E308 WeakPolarHBondContact O-CG 3.44Å; Q304-E308 PolarHBondContact O-N 2.93Å; E308-D312 WeakPolarHBondContact O-CB 3.31Å; E308-D312 PolarHBondContact O-N 3.34Å
309	Q	84.1	Confident	79.9	Confident	104 Å²	104	72.3 Å²	72.3	49%	0.486	35%	0.352	S	S	.	.	H	α-helix	trans	-64.9	-48.8	172.5	-179	-176.3	-22.1	0	0	112.3	A305 L306 L307 L311 D312 E313	A305-Q309 WeakPolarHBondContact O-CB 3.49Å; A305-Q309 PolarHBondContact O-N 3.44Å; L306-Q309 PolarHBondContact O-N 2.9Å; L307-Q309 VanDerWaalsContact C-N 3.33Å; Q309-L311 PolarHBondContact O-N 3.27Å; Q309-D312 PolarHBondContact O-N 3.5Å; Q309-E313 HydrophobicContact CG-CG 4.45Å; Q309-E313 WeakPolarHBondContact CG-OE1 3.17Å; Q309-E313 PolarHBondContact NE2-OE1 3.04Å; Q309-E313 WeakPolarHBondContact O-CB 3.43Å; Q309-E313 WeakPolarHBondContact O-CG 3.37Å; Q309-E313 PolarHBondContact O-N 3.34Å
310	E	82.8	Confident	79.7	Confident	21 Å²	21	71.1 Å²	71.1	10%	0.098	35%	0.346	C	S	.	.	H	α-helix	trans	-65.2	-24.6	-179.4	-70.8	177.3	-165.6	0	0	112.4	W123 K128 L306 L307 L314	W123-E310 HydrophobicContact CZ2-CB 4.12Å; W123-E310 PolarHBondContact NE1-OE2 3.19Å; K128-E310 WeakPolarHBondContact CD-OE2 3.26Å; K128-E310 IonicContact NZ-OE1 2.71Å; K128-E310 PolarHBondContact NZ-OE1 3.33Å; K128-E310 IonicContact NZ-OE2 2.96Å; K128-E310 PolarHBondContact NZ-OE2 2.97Å; L306-E310 WeakPolarHBondContact CG-OE1 3.1Å; L306-E310 WeakPolarHBondContact O-CB 3.45Å; L306-E310 WeakPolarHBondContact O-CG 3.31Å; L306-E310 PolarHBondContact O-N 3.46Å; L307-E310 PolarHBondContact O-N 3.33Å; E310-L314 WeakPolarHBondContact O-CG 3.44Å; E310-L314 PolarHBondContact O-N 2.85Å
311	L	78.7	Confident	79.7	Confident	15 Å²	15	71.5 Å²	71.5	8%	0.079	35%	0.348	C	S	.	.	H	α-helix	trans	-80.6	-40.6	172	-175.2	60.9	0	0	0	112.7	F130 R254 A258 L261 L307 Q309 E313 L314 E315	F130-L311 HydrophobicContact CE2-CD1 4.47Å; F130-L311 HydrophobicContact CZ-CD1 4.26Å; R254-L311 HydrophobicContact CG-CD1 4.11Å; A258-L311 HydrophobicContact CB-CD2 4.4Å; L261-L311 HydrophobicContact CD1-CD2 3.68Å; L307-L311 WeakPolarHBondContact O-CB 3.29Å; L307-L311 PolarHBondContact O-N 3.34Å; Q309-L311 PolarHBondContact O-N 3.27Å; L311-E313 VanDerWaalsContact C-N 3.32Å; L311-L314 PolarHBondContact O-N 3.48Å; L311-E315 PolarHBondContact O-N 3.47Å
312	D	81	Confident	79.3	Confident	55 Å²	55	68.4 Å²	68.4	29%	0.294	34%	0.34	S	S	.	.	H	α-helix	trans	-61.7	-40.4	172.7	-75.6	-23.2	0	0	0	110.6	E308 Q309 L314 E315 E316 R580	E308-D312 WeakPolarHBondContact O-CB 3.31Å; E308-D312 PolarHBondContact O-N 3.34Å; Q309-D312 PolarHBondContact O-N 3.5Å; D312-L314 VanDerWaalsContact C-N 3.34Å; D312-L314 PolarHBondContact O-N 2.95Å; D312-E315 PolarHBondContact O-N 3.2Å; D312-E316 PolarHBondContact O-N 2.96Å; D312-R580 IonicContact OD1-CZ 2.78Å; D312-R580 IonicContact OD1-NH1 2.75Å; D312-R580 PolarHBondContact OD1-NH1 2.86Å; D312-R580 IonicContact OD1-NH2 3.3Å; D312-R580 PolarHBondContact OD1-NH2 2.9Å; D312-R580 IonicContact OD2-NH1 3.75Å
313	E	83.2	Confident	78.9	Confident	92 Å²	92	65.9 Å²	65.9	43%	0.43	33%	0.331	S	S	.	.	H	α-helix	trans	-62.7	-35.5	174.2	-74.9	173.6	-167.8	0	0	112.8	Q309 L311 L317	Q309-E313 HydrophobicContact CG-CG 4.45Å; Q309-E313 WeakPolarHBondContact CG-OE1 3.17Å; Q309-E313 PolarHBondContact NE2-OE1 3.04Å; Q309-E313 WeakPolarHBondContact O-CB 3.43Å; Q309-E313 WeakPolarHBondContact O-CG 3.37Å; Q309-E313 PolarHBondContact O-N 3.34Å; L311-E313 VanDerWaalsContact C-N 3.32Å; E313-L317 WeakPolarHBondContact O-CG 3.16Å; E313-L317 PolarHBondContact O-N 2.87Å; E313-L317 VanDerWaalsContact O-N 3.17Å
314	L	75.7	Confident	78.8	Confident	44 Å²	44	71.8 Å²	71.8	23%	0.23	35%	0.351	C	S	.	.	H	α-helix	trans	-69.9	-38.4	172.3	-81.6	-177.7	0	0	0	113	W123 E310 L311 D312 E316 L317 E318	W123-L314 HydrophobicContact CH2-CD1 3.59Å; W123-L314 HydrophobicContact CH2-CG 4.49Å; W123-L314 HydrophobicContact CZ3-CD1 3.9Å; E310-L314 WeakPolarHBondContact O-CG 3.44Å; E310-L314 PolarHBondContact O-N 2.85Å; L311-L314 PolarHBondContact O-N 3.48Å; D312-L314 VanDerWaalsContact C-N 3.34Å; D312-L314 PolarHBondContact O-N 2.95Å; L314-E316 VanDerWaalsContact C-N 3.31Å; L314-E316 PolarHBondContact O-N 2.83Å; L314-L317 PolarHBondContact O-N 2.95Å; L314-E318 PolarHBondContact O-N 2.93Å
315	E	77	Confident	78.6	Confident	39 Å²	39	76 Å²	76	18%	0.182	36%	0.364	C	S	.	.	H	α-helix	trans	-63.8	-37.6	177.2	-171.3	174.2	134.4	0	0	111	L311 D312 S319 R580	L311-E315 PolarHBondContact O-N 3.47Å; D312-E315 PolarHBondContact O-N 3.2Å; E315-S319 VanDerWaalsContact O-CB 3.32Å; E315-S319 WeakPolarHBondContact O-CB 3.41Å; E315-S319 PolarHBondContact O-N 2.82Å; E315-S319 PolarHBondContact O-OG 2.6Å; E315-R580 VanDerWaalsContact CD-NH2 3.3Å; E315-R580 IonicContact OE1-CZ 3.44Å; E315-R580 IonicContact OE1-NE 2.71Å; E315-R580 PolarHBondContact OE1-NE 3.28Å; E315-R580 IonicContact OE1-NH2 3.83Å; E315-R580 PolarHBondContact OE1-NH2 3.49Å; E315-R580 IonicContact OE2-CZ 3.69Å; E315-R580 IonicContact OE2-NE 3.17Å; E315-R580 IonicContact OE2-NH2 2.7Å; E315-R580 PolarHBondContact OE2-NH2 2.76Å
316	E	79.8	Confident	78.3	Confident	127 Å²	127	75.3 Å²	75.3	59%	0.593	35%	0.353	S	S	*	.	H	α-helix	trans	-67.7	-40.2	173.1	-71	-172.7	179.5	0	0	113	D312 L314 S319 Q320	D312-E316 PolarHBondContact O-N 2.96Å; L314-E316 VanDerWaalsContact C-N 3.31Å; L314-E316 PolarHBondContact O-N 2.83Å; E316-S319 PolarHBondContact O-N 2.75Å; E316-Q320 VanDerWaalsContact O-CG 3.29Å; E316-Q320 WeakPolarHBondContact O-CG 3.48Å; E316-Q320 PolarHBondContact O-N 2.86Å; E316-Q320 PolarHBondContact O-NE2 2.8Å
317	L	76.6	Confident	78	Confident	107 Å²	107	75.5 Å²	75.5	56%	0.56	35%	0.354	S	S	*	.	H	α-helix	trans	-68.2	-42.9	177	-74.4	170.2	0	0	0	112.7	E313 L314 S319 Q320 E321	E313-L317 WeakPolarHBondContact O-CG 3.16Å; E313-L317 PolarHBondContact O-N 2.87Å; E313-L317 VanDerWaalsContact O-N 3.17Å; L314-L317 PolarHBondContact O-N 2.95Å; L317-S319 VanDerWaalsContact C-N 3.33Å; L317-Q320 PolarHBondContact O-N 2.84Å; L317-E321 PolarHBondContact O-N 3.04Å
318	E	72.7	Confident	77.9	Confident	64 Å²	64	82.7 Å²	82.7	30%	0.299	39%	0.392	S	S	.	.	H	α-helix	trans	-64.6	-38.5	175.1	179.6	165.5	-135.6	0	0	111.3	R254 L314 E321 H322	R254-E318 IonicContact CZ-OE1 3.25Å; R254-E318 IonicContact CZ-OE2 2.71Å; R254-E318 VanDerWaalsContact CZ-OE2 3.24Å; R254-E318 IonicContact NE-OE1 2.66Å; R254-E318 IonicContact NE-OE2 3.42Å; R254-E318 PolarHBondContact NE-OE2 3.22Å; R254-E318 IonicContact NH2-OE1 3.37Å; R254-E318 PolarHBondContact NH2-OE1 3.26Å; R254-E318 IonicContact NH2-OE2 3.32Å; R254-E318 PolarHBondContact NH2-OE2 2.87Å; R254-E318 VanDerWaalsContact NH2-OE2 3.08Å; L314-E318 PolarHBondContact O-N 2.93Å; E318-E321 PolarHBondContact O-N 2.78Å; E318-H322 WeakPolarHBondContact O-CB 3.35Å; E318-H322 PolarHBondContact O-N 3.24Å
319	S	74.4	Confident	77.4	Confident	54 Å²	54	87.4 Å²	87.4	38%	0.378	42%	0.416	S	S	.	.	H	α-helix	trans	-61.1	-45.3	174.3	-61.5	0	0	0	0	111.9	E315 E316 L317 H322 E323	E315-S319 VanDerWaalsContact O-CB 3.32Å; E315-S319 WeakPolarHBondContact O-CB 3.41Å; E315-S319 PolarHBondContact O-N 2.82Å; E315-S319 PolarHBondContact O-OG 2.6Å; E316-S319 PolarHBondContact O-N 2.75Å; L317-S319 VanDerWaalsContact C-N 3.33Å; S319-H322 PolarHBondContact O-N 3.05Å; S319-E323 WeakPolarHBondContact O-CB 3.23Å; S319-E323 PolarHBondContact O-N 3.01Å
320	Q	75.6	Confident	76.6	Confident	88 Å²	88	85.4 Å²	85.4	41%	0.411	42%	0.423	S	S	.	.	H	α-helix	trans	-65.3	-37.3	176.3	-72.6	168.8	51.8	0	0	112.5	E316 L317 R324	E316-Q320 VanDerWaalsContact O-CG 3.29Å; E316-Q320 WeakPolarHBondContact O-CG 3.48Å; E316-Q320 PolarHBondContact O-N 2.86Å; E316-Q320 PolarHBondContact O-NE2 2.8Å; L317-Q320 PolarHBondContact O-N 2.84Å; Q320-R324 WeakPolarHBondContact O-CB 3.22Å; Q320-R324 VanDerWaalsContact O-CG 3.28Å; Q320-R324 WeakPolarHBondContact O-CG 3.42Å; Q320-R324 PolarHBondContact O-N 2.98Å
321	E	75.6	Confident	76.1	Confident	97 Å²	97	90 Å²	90	45%	0.453	45%	0.448	S	S	.	.	H	α-helix	trans	-70.6	-39.2	176.1	-151.7	-158.3	148.2	0	0	111.6	L317 E318 R324 R325	L317-E321 PolarHBondContact O-N 3.04Å; E318-E321 PolarHBondContact O-N 2.78Å; E321-R324 PolarHBondContact O-N 3.08Å; E321-R325 VanDerWaalsContact CD-NH2 3.3Å; E321-R325 VanDerWaalsContact O-CG 3.31Å; E321-R325 WeakPolarHBondContact O-CG 3.29Å; E321-R325 PolarHBondContact O-N 3.03Å; E321-R325 IonicContact OE1-CZ 3.92Å; E321-R325 IonicContact OE1-NE 3.4Å; E321-R325 PolarHBondContact OE1-NE 3.28Å; E321-R325 IonicContact OE1-NH2 2.76Å; E321-R325 PolarHBondContact OE1-NH2 3.32Å; E321-R325 IonicContact OE2-NH2 3.38Å; E321-R325 PolarHBondContact OE2-NH2 3.43Å
322	H	73.8	Confident	75.7	Confident	101 Å²	101	91.6 Å²	91.6	47%	0.468	46%	0.456	S	S	.	.	H	α-helix	trans	-63.3	-44.9	174.6	-172.9	66.7	0	0	0	111.6	E318 S319 R324 R325 L326	E318-H322 WeakPolarHBondContact O-CB 3.35Å; E318-H322 PolarHBondContact O-N 3.24Å; S319-H322 PolarHBondContact O-N 3.05Å; H322-R324 VanDerWaalsContact C-N 3.34Å; H322-R324 PolarHBondContact O-N 3.4Å; H322-R325 PolarHBondContact O-N 2.98Å; H322-L326 WeakPolarHBondContact O-CG 3.5Å; H322-L326 PolarHBondContact O-N 3.29Å
323	E	76.3	Confident	74.8	Confident	108 Å²	108	93.7 Å²	93.7	51%	0.505	47%	0.472	S	S	.	.	H	α-helix	trans	-60.1	-42.4	174.3	-173.2	166	-142.8	0	0	111.6	S319 L326 L327 I332	S319-E323 WeakPolarHBondContact O-CB 3.23Å; S319-E323 PolarHBondContact O-N 3.01Å; E323-L326 PolarHBondContact O-N 2.93Å; E323-L327 HydrophobicContact CG-CD1 4.29Å; E323-L327 WeakPolarHBondContact O-CB 3.3Å; E323-L327 WeakPolarHBondContact O-CG 3.26Å; E323-L327 PolarHBondContact O-N 3.3Å; E323-I332 HydrophobicContact CG-CD1 4.23Å
324	R	76.2	Confident	73.7	Confident	177 Å²	177	93 Å²	93	67%	0.668	48%	0.483	S	S	*	.	H	α-helix	trans	-61.3	-42.6	172.3	-76	174.8	-177.5	-168.9	3.6	113.2	Q320 E321 H322 L327 D328	Q320-R324 WeakPolarHBondContact O-CB 3.22Å; Q320-R324 VanDerWaalsContact O-CG 3.28Å; Q320-R324 WeakPolarHBondContact O-CG 3.42Å; Q320-R324 PolarHBondContact O-N 2.98Å; E321-R324 PolarHBondContact O-N 3.08Å; H322-R324 VanDerWaalsContact C-N 3.34Å; H322-R324 PolarHBondContact O-N 3.4Å; R324-L327 PolarHBondContact O-N 2.8Å; R324-D328 WeakPolarHBondContact O-CB 3.25Å; R324-D328 PolarHBondContact O-N 2.88Å
325	R	75.4	Confident	72.6	Confident	144 Å²	144	98.2 Å²	98.2	54%	0.543	51%	0.511	S	S	.	.	H	α-helix	trans	-65.3	-38.4	176.2	-69.8	173.9	-171.2	-172.2	7	111.4	E321 H322 D328 M329	E321-R325 VanDerWaalsContact CD-NH2 3.3Å; E321-R325 VanDerWaalsContact O-CG 3.31Å; E321-R325 WeakPolarHBondContact O-CG 3.29Å; E321-R325 PolarHBondContact O-N 3.03Å; E321-R325 IonicContact OE1-CZ 3.92Å; E321-R325 IonicContact OE1-NE 3.4Å; E321-R325 PolarHBondContact OE1-NE 3.28Å; E321-R325 IonicContact OE1-NH2 2.76Å; E321-R325 PolarHBondContact OE1-NH2 3.32Å; E321-R325 IonicContact OE2-NH2 3.38Å; E321-R325 PolarHBondContact OE2-NH2 3.43Å; H322-R325 PolarHBondContact O-N 2.98Å; R325-D328 PolarHBondContact O-N 3.32Å; R325-M329 WeakPolarHBondContact O-CB 3.12Å; R325-M329 VanDerWaalsContact O-CG 3.26Å; R325-M329 WeakPolarHBondContact O-CG 3.49Å; R325-M329 PolarHBondContact O-N 3.18Å
326	L	77.6	Confident	71	Confident	42 Å²	42	100.7 Å²	100.7	22%	0.22	53%	0.533	C	S	.	.	H	α-helix	trans	-68.9	-33.3	174.9	-69.8	178.8	0	0	0	112.9	H322 E323 G330 L331 I332	H322-L326 WeakPolarHBondContact O-CG 3.5Å; H322-L326 PolarHBondContact O-N 3.29Å; E323-L326 PolarHBondContact O-N 2.93Å; L326-G330 PolarHBondContact O-N 2.66Å; L326-L331 HydrophobicContact CD2-CB 4.24Å; L326-L331 HydrophobicContact CD2-CD1 3.78Å; L326-L331 PolarHBondContact O-N 2.78Å; L326-I332 HydrophobicContact CB-CD1 3.61Å; L326-I332 HydrophobicContact CB-CG1 3.93Å; L326-I332 HydrophobicContact CD1-CD1 3.82Å; L326-I332 HydrophobicContact CD1-CG1 4.43Å; L326-I332 HydrophobicContact CG-CD1 4.39Å; L326-I332 PolarHBondContact O-N 2.9Å
327	L	78	Confident	69.1	Low	71 Å²	71	103.4 Å²	103.4	37%	0.372	55%	0.545	S	S	.	.	H	α-helix	trans	-67.9	-45.1	171	-74.6	163.3	0	0	0	111.7	E323 R324 M329 G330 I332	E323-L327 HydrophobicContact CG-CD1 4.29Å; E323-L327 WeakPolarHBondContact O-CB 3.3Å; E323-L327 WeakPolarHBondContact O-CG 3.26Å; E323-L327 PolarHBondContact O-N 3.3Å; R324-L327 PolarHBondContact O-N 2.8Å; L327-M329 VanDerWaalsContact C-N 3.34Å; L327-M329 PolarHBondContact O-N 2.95Å; L327-G330 WeakPolarHBondContact O-CA 3.2Å; L327-G330 PolarHBondContact O-N 2.89Å; L327-I332 HydrophobicContact CD2-CB 3.92Å; L327-I332 HydrophobicContact CD2-CG2 3.83Å; L327-I332 HydrophobicContact CG-CB 4.3Å; L327-I332 HydrophobicContact CG-CG2 4.46Å
328	D	77.4	Confident	67	Low	152 Å²	152	106.6 Å²	106.6	81%	0.813	56%	0.557	S	S	*	*	H	α-helix	trans	-64.1	-37.2	177.4	-168.2	58.9	0	0	0	112.2	R324 R325 G330	R324-D328 WeakPolarHBondContact O-CB 3.25Å; R324-D328 PolarHBondContact O-N 2.88Å; R325-D328 PolarHBondContact O-N 3.32Å; D328-G330 PolarHBondContact O-N 2.89Å
329	M	73	Confident	65.2	Low	134 Å²	134	111 Å²	111	66%	0.66	58%	0.583	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.4	-3.3	170.7	-68.7	-179.6	71	0	0	114.2	R325 L327 L331	R325-M329 WeakPolarHBondContact O-CB 3.12Å; R325-M329 VanDerWaalsContact O-CG 3.26Å; R325-M329 WeakPolarHBondContact O-CG 3.49Å; R325-M329 PolarHBondContact O-N 3.18Å; L327-M329 VanDerWaalsContact C-N 3.34Å; L327-M329 PolarHBondContact O-N 2.95Å; M329-L331 VanDerWaalsContact C-N 3.27Å; M329-L331 HydrophobicContact CB-CD1 4.09Å; M329-L331 HydrophobicContact CB-CG 4.02Å; M329-L331 HydrophobicContact CE-CD1 4.09Å; M329-L331 PolarHBondContact O-N 2.86Å; M329-L331 HydrophobicContact SD-CD1 4.46Å
330	G	68.8	Low	63.4	Low	61 Å²	61	117.5 Å²	117.5	63%	0.629	61%	0.607	S	S	*	*	T	Hydrogen-bonded Turn	trans	67.8	20.3	-179.7	0	0	0	0	0	115.1	L326 L327 D328	L326-G330 PolarHBondContact O-N 2.66Å; L327-G330 WeakPolarHBondContact O-CA 3.2Å; L327-G330 PolarHBondContact O-N 2.89Å; D328-G330 PolarHBondContact O-N 2.89Å
331	L	72.3	Confident	61.7	Low	117 Å²	117	121.8 Å²	121.8	61%	0.613	63%	0.627	S	S	*	*			trans	-87.4	-16.5	-178.4	-63.1	177.3	0	0	0	113.2	L326 M329	L326-L331 HydrophobicContact CD2-CB 4.24Å; L326-L331 HydrophobicContact CD2-CD1 3.78Å; L326-L331 PolarHBondContact O-N 2.78Å; M329-L331 VanDerWaalsContact C-N 3.27Å; M329-L331 HydrophobicContact CB-CD1 4.09Å; M329-L331 HydrophobicContact CB-CG 4.02Å; M329-L331 HydrophobicContact CE-CD1 4.09Å; M329-L331 PolarHBondContact O-N 2.86Å; M329-L331 HydrophobicContact SD-CD1 4.46Å
332	I	68.4	Low	59.7	Low	49 Å²	49	125.6 Å²	125.6	25%	0.251	65%	0.645	S	S	.	*	S	Bend	trans	-115.4	135.8	171	-64.6	174.4	0	0	0	108.6	E323 L326 L327 A334	E323-I332 HydrophobicContact CG-CD1 4.23Å; L326-I332 HydrophobicContact CB-CD1 3.61Å; L326-I332 HydrophobicContact CB-CG1 3.93Å; L326-I332 HydrophobicContact CD1-CD1 3.82Å; L326-I332 HydrophobicContact CD1-CG1 4.43Å; L326-I332 HydrophobicContact CG-CD1 4.39Å; L326-I332 PolarHBondContact O-N 2.9Å; L327-I332 HydrophobicContact CD2-CB 3.92Å; L327-I332 HydrophobicContact CD2-CG2 3.83Å; L327-I332 HydrophobicContact CG-CB 4.3Å; L327-I332 HydrophobicContact CG-CG2 4.46Å; I332-A334 PolarHBondContact O-N 2.66Å
333	P	63.4	Low	58	Low	99 Å²	99	126.5 Å²	126.5	64%	0.643	66%	0.659	S	S	*	*			trans	-64.1	132	172.9	-19.4	32.1	0	0	0	111.6	D335	P333-D335 PolarHBondContact O-N 2.96Å; P333-D335 VanDerWaalsContact O-N 3.12Å
334	A	60.5	Low	56.2	Low	78 Å²	78	130.1 Å²	130.1	65%	0.645	68%	0.676	S	S	*	*	S	Bend	trans	-67.3	-9.4	178.5	0	0	0	0	0	114.5	I332 S336	I332-A334 PolarHBondContact O-N 2.66Å; A334-S336 PolarHBondContact O-N 3.09Å
335	D	52.5	Low	54.1	Low	154 Å²	154	130.7 Å²	130.7	82%	0.824	69%	0.687	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.1	26.3	-167	-59.1	-38.2	0	0	0	114.4	P333	P333-D335 PolarHBondContact O-N 2.96Å; P333-D335 VanDerWaalsContact O-N 3.12Å
336	S	41.7	Very low	52.5	Low	91 Å²	91	130.2 Å²	130.2	64%	0.636	70%	0.699	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.5	-5.8	178	49.8	0	0	0	0	115.5	A334 Q338	A334-S336 PolarHBondContact O-N 3.09Å; S336-Q338 PolarHBondContact O-N 2.93Å
337	E	40.1	Very low	50.6	Low	184 Å²	184	135 Å²	135	86%	0.86	73%	0.725	S	S	*	*			trans	-75.4	44	176.2	-66.8	-161.5	149.7	0	0	114.1
338	Q	33.1	Very low	48.9	Very low	173 Å²	173	140.6 Å²	140.6	81%	0.808	75%	0.749	S	S	*	*			trans	-138.3	75.1	172.1	-69.3	-165.2	5	0	0	112.4	S336	S336-Q338 PolarHBondContact O-N 2.93Å
339	N	35.3	Very low	47.1	Very low	156 Å²	156	142.1 Å²	142.1	83%	0.834	75%	0.749	S	S	*	*			trans	-171.3	61.1	147.4	-91.8	-33.3	0	0	0	110.9	E341	N339-E341 VanDerWaalsContact C-N 3.32Å; N339-E341 PolarHBondContact O-N 3.47Å; N339-E341 VanDerWaalsContact O-N 3.15Å
340	H	37.4	Very low	45.2	Very low	192 Å²	192	140.6 Å²	140.6	89%	0.889	75%	0.749	S	S	*	*			trans	-75.8	91.5	156.5	-86.3	-66.8	0	0	0	108.3	E342	H340-E342 PolarHBondContact O-N 3.37Å
341	E	38.8	Very low	43.9	Very low	177 Å²	177	147.9 Å²	147.9	83%	0.827	76%	0.763	S	S	*	*			trans	-62.2	116.6	164	-66.7	-176	141.5	0	0	108	N339	N339-E341 VanDerWaalsContact C-N 3.32Å; N339-E341 PolarHBondContact O-N 3.47Å; N339-E341 VanDerWaalsContact O-N 3.15Å
342	E	33.5	Very low	42	Very low	178 Å²	178	152.7 Å²	152.7	83%	0.832	77%	0.773	S	S	*	*			trans	-58.6	138.4	170.3	-70.4	-172.5	113.1	0	0	109.1	H340 E344	H340-E342 PolarHBondContact O-N 3.37Å; E342-E344 PolarHBondContact O-N 3.12Å
343	P	38.8	Very low	40.7	Very low	119 Å²	119	157.8 Å²	157.8	77%	0.773	80%	0.801	S	S	*	*			trans	-64.2	112.4	176.7	26.3	-33	0	0	0	109.5	Q345	P343-Q345 PolarHBondContact O-N 2.98Å
344	E	37.5	Very low	39.5	Very low	184 Å²	184	157.9 Å²	157.9	86%	0.86	80%	0.804	S	S	*	*			trans	-49.5	125.2	178	-76.2	-165.4	130.3	0	0	110.5	E342 V346	E342-E344 PolarHBondContact O-N 3.12Å; E344-V346 PolarHBondContact O-N 3.35Å
345	Q	33.5	Very low	38.4	Very low	190 Å²	190	162.4 Å²	162.4	89%	0.888	81%	0.812	S	S	*	*			trans	-67.7	102.1	175.2	-66.4	-176	7.2	0	0	108.9	P343 D347	P343-Q345 PolarHBondContact O-N 2.98Å; Q345-D347 PolarHBondContact O-N 3.25Å
346	V	40.6	Very low	37.7	Very low	134 Å²	134	161.6 Å²	161.6	81%	0.812	81%	0.806	S	S	*	*			trans	-69	98.7	178.5	-179.5	0	0	0	0	109.5	E344 E348	E344-V346 PolarHBondContact O-N 3.35Å; V346-E348 PolarHBondContact O-N 3.38Å
347	D	37.4	Very low	37.5	Very low	143 Å²	143	162.7 Å²	162.7	77%	0.765	81%	0.814	S	S	*	*			trans	-50.7	103	173.9	-96.8	-38.5	0	0	0	112	Q345 K349	Q345-D347 PolarHBondContact O-N 3.25Å; D347-K349 VanDerWaalsContact C-N 3.28Å; D347-K349 PolarHBondContact O-N 2.9Å
348	E	42.4	Very low	37.5	Very low	188 Å²	188	159.4 Å²	159.4	88%	0.879	81%	0.808	S	S	*	*			trans	-68.6	86.9	165	-82.3	-145.5	122	0	0	110.1	V346 P350	V346-E348 PolarHBondContact O-N 3.38Å; E348-P350 WeakPolarHBondContact O-CD 3.34Å; E348-P350 VanDerWaalsContact O-N 3.13Å
349	K	39.4	Very low	37.7	Very low	183 Å²	183	158.8 Å²	158.8	80%	0.796	81%	0.806	S	S	*	*			trans	-56	113.8	175.7	-77.3	175.5	177.5	164.9	0	111.2	D347 K351	D347-K349 VanDerWaalsContact C-N 3.28Å; D347-K349 PolarHBondContact O-N 2.9Å; K349-K351 PolarHBondContact O-N 2.98Å
350	P	34.2	Very low	37.9	Very low	102 Å²	102	158.6 Å²	158.6	66%	0.662	80%	0.799	S	S	*	*			trans	-73.9	117.8	178.6	29.4	-33.2	0	0	0	110	E348 R352	E348-P350 WeakPolarHBondContact O-CD 3.34Å; E348-P350 VanDerWaalsContact O-N 3.13Å; P350-R352 PolarHBondContact O-N 3.05Å; P350-R352 VanDerWaalsContact O-N 3.09Å
351	K	41.2	Very low	37.9	Very low	214 Å²	214	152.8 Å²	152.8	93%	0.93	78%	0.781	S	S	*	*			trans	-66.4	107.5	168.6	-77	-176.6	176.9	176.7	0	109.5	K349	K349-K351 PolarHBondContact O-N 2.98Å
352	R	32.6	Very low	37.8	Very low	219 Å²	219	154.9 Å²	154.9	83%	0.826	78%	0.782	S	S	*	*			trans	-105.8	121	163.8	-84.5	-176.3	-78.4	178.6	-8.5	109.2	P350	P350-R352 PolarHBondContact O-N 3.05Å; P350-R352 VanDerWaalsContact O-N 3.09Å
353	D	41.6	Very low	38.1	Very low	156 Å²	156	150.2 Å²	150.2	83%	0.834	77%	0.77	S	S	*	*			trans	-135.3	147.2	152.5	-82.7	-53.9	0	0	0	107.5
354	S	38.4	Very low	38.2	Very low	101 Å²	101	150.8 Å²	150.8	71%	0.706	77%	0.766	S	S	*	*			trans	-1.8	138.3	161.9	49	0	0	0	0	118.8
355	E	37.1	Very low	38.4	Very low	172 Å²	172	149.3 Å²	149.3	80%	0.804	76%	0.759	S	S	*	*			cis	-171	167.3	25.6	-126.8	173.3	-174.4	0	0	114.1
356	I	37.1	Very low	38.8	Very low	137 Å²	137	145.5 Å²	145.5	70%	0.703	75%	0.749	S	S	*	*			trans	71.9	94.6	152.7	-63.5	161.2	0	0	0	119.6
357	S	36.8	Very low	38.8	Very low	114 Å²	114	145 Å²	145	80%	0.797	74%	0.742	S	S	*	*			trans	83.2	152.2	130	-63.5	0	0	0	0	122.6
358	P	40.6	Very low	38.7	Very low	116 Å²	116	143 Å²	143	75%	0.753	74%	0.735	S	S	*	*			trans	-134.4	-147	-149	43	-21.8	0	0	0	114.2
359	E	37.8	Very low	38.4	Very low	160 Å²	160	140.2 Å²	140.2	75%	0.748	73%	0.731	S	S	*	*			trans	81.9	141.3	178.3	-53.6	-153.3	111.5	0	0	114.7
360	Q	38.7	Very low	38.4	Very low	151 Å²	151	137.4 Å²	137.4	71%	0.706	73%	0.731	S	S	*	*			cis	-163.2	159.7	-6.3	-111.2	179.2	41.4	0	0	106.8
361	S	38.5	Very low	39.1	Very low	71 Å²	71	137.6 Å²	137.6	50%	0.497	73%	0.732	S	S	.	*			cis	-177.1	169.9	-25.8	48.1	0	0	0	0	110.3
362	Y	37.3	Very low	38.9	Very low	220 Å²	220	133.2 Å²	133.2	86%	0.863	72%	0.724	S	S	*	*			trans	71.2	150	170.6	-63.5	-86	0	0	0	119.4
363	S	38.6	Very low	39.1	Very low	80 Å²	80	128.5 Å²	128.5	56%	0.559	72%	0.719	S	S	*	*			cis	-179.4	154.9	-27.6	55.2	0	0	0	0	113.6
364	N	40.4	Very low	38.9	Very low	132 Å²	132	127.3 Å²	127.3	71%	0.706	71%	0.713	S	S	*	*			trans	72.7	149.8	144.2	-69.5	15.9	0	0	0	118.7
365	E	41.9	Very low	38.9	Very low	153 Å²	153	127.1 Å²	127.1	72%	0.715	71%	0.711	S	S	*	*			cis	-161.6	157.5	6	-128.6	169.5	-114.2	0	0	114
366	V	42.8	Very low	38.8	Very low	109 Å²	109	128.1 Å²	128.1	66%	0.661	71%	0.709	S	S	*	*			trans	65	131.8	140.6	155	0	0	0	0	119.9
367	N	39.2	Very low	38.7	Very low	125 Å²	125	127.7 Å²	127.7	67%	0.668	71%	0.708	S	S	*	*			cis	-163.1	155.7	1.6	-127.8	3.4	0	0	0	118.1
368	T	37.2	Very low	38.7	Very low	101 Å²	101	129.1 Å²	129.1	62%	0.62	71%	0.706	S	S	*	*			trans	49	95.6	145.3	53.7	0	0	0	0	123.8
369	T	34.5	Very low	38.5	Very low	129 Å²	129	128.5 Å²	128.5	79%	0.791	70%	0.704	S	S	*	*				52.6	150.5	103.8	58.6	0	0	0	0	124.2
370	P	40.9	Very low	38.6	Very low	123 Å²	123	126.3 Å²	126.3	80%	0.799	70%	0.703	S	S	*	*			trans	-122.6	-110.5	-153	25.3	3	0	0	0	117.4
371	P	48.9	Very low	38.4	Very low	107 Å²	107	124.1 Å²	124.1	70%	0.695	71%	0.705	S	S	*	*			trans	-124.6	-173.1	-131.4	42	-23.5	0	0	0	115.2
372	T	36.5	Very low	38.3	Very low	122 Å²	122	129 Å²	129	75%	0.748	72%	0.717	S	S	*	*			trans	172.9	143.4	141.7	34.7	0	0	0	0	112.9
373	T	35.9	Very low	38.2	Very low	120 Å²	120	123 Å²	123	74%	0.736	70%	0.7	S	S	*	*			trans	48.4	142.1	145.1	62.1	0	0	0	0	120.1
374	D	37.3	Very low	38	Very low	131 Å²	131	125.3 Å²	125.3	70%	0.701	72%	0.715	S	S	*	*			cis	-165.8	-174.8	6.5	-132.9	65.5	0	0	0	107.7
375	S	39.3	Very low	37.8	Very low	96 Å²	96	127.2 Å²	127.2	67%	0.671	72%	0.719	S	S	*	*			cis	-155.3	179.2	8.5	66.2	0	0	0	0	113.5
376	Y	34.5	Very low	37.8	Very low	194 Å²	194	125.1 Å²	125.1	76%	0.761	72%	0.719	S	S	*	*			trans	-38.1	161.9	151.8	-55.4	-86.4	0	0	0	115.2
377	N	35	Very low	37.5	Very low	127 Å²	127	126.6 Å²	126.6	68%	0.679	73%	0.728	S	S	*	*			cis	-167.6	167.3	14.3	-137	-17.2	0	0	0	112.5
378	I	36.1	Very low	37.3	Very low	145 Å²	145	126 Å²	126	74%	0.744	73%	0.729	S	S	*	*			trans	64.1	136.6	150.5	-68.9	162.6	0	0	0	117.3
379	S	37.9	Very low	37.3	Very low	103 Å²	103	128.3 Å²	128.3	72%	0.72	74%	0.738	S	S	*	*			cis	-160.8	169.5	-6.8	-106.6	0	0	0	0	109.7
380	P	40.2	Very low	37.2	Very low	113 Å²	113	129 Å²	129	73%	0.734	74%	0.737	S	S	*	*			trans	-95.2	160	-164.8	36.9	-37.3	0	0	0	116.2
381	S	34	Very low	37.2	Very low	105 Å²	105	130.1 Å²	130.1	73%	0.734	74%	0.741	S	S	*	*				156.8	152.6	109.7	61.6	0	0	0	0	116.2
382	K	36.6	Very low	36.5	Very low	173 Å²	173	128.8 Å²	128.8	75%	0.752	75%	0.747	S	S	*	*			trans	81.1	121.7	153.3	-75.3	178.4	179.8	-178.9	0	123.2
383	D	33.8	Very low	36.5	Very low	95 Å²	95	128.6 Å²	128.6	51%	0.508	75%	0.751	S	S	.	*			trans	63.5	104	133.5	-51.4	-34.9	0	0	0	121.2	R883	D383-R883 IonicContact OD1-CZ 3.94Å; D383-R883 IonicContact OD1-NH2 2.72Å; D383-R883 PolarHBondContact OD1-NH2 3.23Å
384	C	34.6	Very low	36.7	Very low	128 Å²	128	127.5 Å²	127.5	87%	0.865	75%	0.746	S	S	*	*				178.4	146.9	106.4	-96.6	0	0	0	0	114.3
385	H	36.7	Very low	36.6	Very low	173 Å²	173	128.2 Å²	128.2	80%	0.801	75%	0.75	S	S	*	*			trans	-100.5	-177.7	169.1	-76.1	-84.9	0	0	0	110.3
386	P	43	Very low	36.3	Very low	109 Å²	109	127.5 Å²	127.5	71%	0.708	75%	0.75	S	S	*	*				-130.8	179.1	-53.6	38.4	-24	0	0	0	111.4
387	T	36.2	Very low	36.5	Very low	139 Å²	139	124.7 Å²	124.7	85%	0.853	76%	0.758	S	S	*	*			trans	-164.4	135.4	141	3.6	0	0	0	0	114.7
388	T	33.9	Very low	36.5	Very low	113 Å²	113	123.7 Å²	123.7	69%	0.693	76%	0.757	S	S	*	*			trans	-22.8	135.5	164.5	52.7	0	0	0	0	119.5
389	N	37.7	Very low	36.6	Very low	150 Å²	150	123.1 Å²	123.1	80%	0.802	75%	0.753	S	S	*	*				-175.7	152.8	106.1	-93.7	-31.9	0	0	0	115.2
390	N	33.1	Very low	36.6	Very low	143 Å²	143	123.7 Å²	123.7	77%	0.765	75%	0.754	S	S	*	*			trans	-24	133.1	175.4	-57.9	-23.2	0	0	0	119.1
391	T	40	Very low	36.1	Very low	146 Å²	146	125.1 Å²	125.1	90%	0.896	75%	0.751	S	S	*	*				173.1	154.4	110.6	29.8	0	0	0	0	112
392	G	34.2	Very low	35.9	Very low	80 Å²	80	126 Å²	126	83%	0.825	76%	0.756	S	S	*	*			trans	89.6	105.9	154.3	0	0	0	0	0	118.9
393	S	36.1	Very low	35.8	Very low	118 Å²	118	126.6 Å²	126.6	83%	0.825	76%	0.758	S	S	*	*			trans	-88.1	174.5	142.7	-141.9	0	0	0	0	107.8
394	P	40	Very low	35.6	Very low	97 Å²	97	127 Å²	127	63%	0.63	77%	0.769	S	S	*	*			cis	-148.8	-164.9	17.2	45.2	-23.8	0	0	0	117.5
395	N	34.9	Very low	35.9	Very low	145 Å²	145	129 Å²	129	78%	0.775	77%	0.771	S	S	*	*			trans	73.6	104.6	148.2	-69.9	-4	0	0	0	122.5
396	A	34.2	Very low	35.6	Very low	82 Å²	82	127 Å²	127	68%	0.678	77%	0.771	S	S	*	*				48.9	130.1	105	0	0	0	0	0	121.6
397	S	37.8	Very low	35.4	Very low	134 Å²	134	131.2 Å²	131.2	94%	0.937	78%	0.781	S	S	*	*			trans	-105	141.7	154.9	-67.9	0	0	0	0	109.9
398	T	34.7	Very low	35.3	Very low	107 Å²	107	133 Å²	133	66%	0.656	78%	0.78	S	S	*	*			trans	-152	137.6	-146	-54.8	0	0	0	0	112.9
399	M	38.3	Very low	35.5	Very low	132 Å²	132	131.8 Å²	131.8	65%	0.65	78%	0.776	S	S	*	*			trans	72.1	163.9	155.4	-80.5	-62.6	157.4	0	0	116.9	Q401	M399-Q401 HydrophobicContact CE-CG 4.12Å; M399-Q401 HydrophobicContact SD-CB 3.86Å; M399-Q401 HydrophobicContact SD-CG 3.77Å; M399-Q401 PolarHBondContact SD-N 2.81Å
400	P	38.8	Very low	35.4	Very low	116 Å²	116	133.3 Å²	133.3	75%	0.753	78%	0.776	S	S	*	*			cis	-125.1	126.6	34.7	36.6	-18.3	0	0	0	119.2
401	Q	28.8	Very low	35.5	Very low	143 Å²	143	132.4 Å²	132.4	67%	0.668	77%	0.771	S	S	*	*	P	Polyproline II helix	trans	-70.6	141.1	134.6	-66.2	175	-5	0	0	109.1	M399	M399-Q401 HydrophobicContact CE-CG 4.12Å; M399-Q401 HydrophobicContact SD-CB 3.86Å; M399-Q401 HydrophobicContact SD-CG 3.77Å; M399-Q401 PolarHBondContact SD-N 2.81Å
402	C	30.5	Very low	35.4	Very low	124 Å²	124	132.5 Å²	132.5	84%	0.838	76%	0.761	S	S	*	*	P	Polyproline II helix	trans	-97.8	127.6	165.1	-66.3	0	0	0	0	110
403	K	34.8	Very low	35.5	Very low	184 Å²	184	134.3 Å²	134.3	80%	0.8	76%	0.756	S	S	*	*	P	Polyproline II helix	trans	-97.6	160.2	165.7	-75.8	-178.1	177.7	175.8	0	110.1
404	S	29.9	Very low	35.5	Very low	105 Å²	105	138 Å²	138	73%	0.734	76%	0.757	S	S	*	*	P	Polyproline II helix	trans	-76.3	139.3	174	52.3	0	0	0	0	112
405	D	40.7	Very low	35.2	Very low	169 Å²	169	141.9 Å²	141.9	90%	0.904	77%	0.767	S	S	*	*			trans	-118.5	152.4	155.2	-79	-53.1	0	0	0	109.5
406	T	30.6	Very low	35.3	Very low	131 Å²	131	144 Å²	144	80%	0.804	77%	0.772	S	S	*	*			trans	-145.1	115.6	-177	-64.1	0	0	0	0	109.5
407	E	38.2	Very low	35.1	Very low	197 Å²	197	148.9 Å²	148.9	92%	0.921	78%	0.781	S	S	*	*			trans	-136.7	155.5	162.9	-74.6	-154.4	141.3	0	0	111
408	E	34.7	Very low	34.9	Very low	177 Å²	177	150.7 Å²	150.7	83%	0.827	78%	0.78	S	S	*	*			trans	-81.9	157.7	-176	-46.7	177	80.3	0	0	110.8
409	S	36.5	Very low	34.9	Very low	88 Å²	88	155.6 Å²	155.6	62%	0.615	79%	0.792	S	S	*	*				173.8	154.3	53.3	44.2	0	0	0	0	111.4
410	K	36.3	Very low	34.4	Very low	181 Å²	181	152.6 Å²	152.6	79%	0.787	80%	0.795	S	S	*	*			trans	52.2	134.5	144.7	-65.1	164.5	-170	161.9	0	119.2
411	D	36.2	Very low	34.5	Very low	125 Å²	125	153.4 Å²	153.4	67%	0.668	80%	0.801	S	S	*	*			cis	-162	176.2	10	-141.4	-39.9	0	0	0	113.1
412	H	38.2	Very low	34.6	Very low	147 Å²	147	152.7 Å²	152.7	68%	0.681	81%	0.806	S	S	*	*			trans	72.9	75.4	152.8	-68.8	6.2	0	0	0	120.5
413	T	35.2	Very low	34.5	Very low	119 Å²	119	154.2 Å²	154.2	73%	0.73	81%	0.806	S	S	*	*				47.9	121.7	119.8	63.2	0	0	0	0	121.6
414	K	35.3	Very low	34.5	Very low	195 Å²	195	153.9 Å²	153.9	85%	0.848	81%	0.812	S	S	*	*				-171	163.5	97.5	-100	169.3	-171.9	175.7	0	112.9
415	H	34.7	Very low	34.5	Very low	178 Å²	178	153.9 Å²	153.9	82%	0.824	81%	0.812	S	S	*	*			trans	-40	153.7	176.4	-62.2	-98.1	0	0	0	114.9
416	E	36.4	Very low	34.2	Very low	191 Å²	191	153 Å²	153	89%	0.893	80%	0.802	S	S	*	*			cis	-132.9	173.9	30.1	-69.8	177	104.1	0	0	114.6
417	Q	30.6	Very low	34.3	Very low	184 Å²	184	155.6 Å²	155.6	86%	0.86	81%	0.805	S	S	*	*			trans	-115.8	133.6	-173.1	-69.1	179.7	-18.5	0	0	113.6
418	N	34.1	Very low	34.2	Very low	171 Å²	171	151.3 Å²	151.3	91%	0.914	80%	0.797	S	S	*	*			trans	-158.4	120.9	146.3	-103.1	-46.1	0	0	0	108.7
419	K	34.1	Very low	34	Very low	210 Å²	210	147.8 Å²	147.8	91%	0.913	78%	0.784	S	S	*	*			trans	-111	149.8	174.3	-82.2	-170.7	172.6	-173.3	0	110.1
420	G	28	Very low	33.7	Very low	70 Å²	70	152.4 Å²	152.4	72%	0.722	80%	0.796	S	S	*	*			trans	-82.1	171.8	172.2	0	0	0	0	0	113.1
421	P	40.3	Very low	33.5	Very low	133 Å²	133	152.2 Å²	152.2	86%	0.864	80%	0.795	S	S	*	*			trans	-92.6	144.7	-179.4	35.6	-33.1	0	0	0	113.4
422	T	30.6	Very low	33.3	Very low	128 Å²	128	152.1 Å²	152.1	79%	0.785	80%	0.799	S	S	*	*			trans	-123.3	148.7	158.7	43.1	0	0	0	0	108.2
423	D	29.8	Very low	33	Very low	155 Å²	155	152 Å²	152	83%	0.829	80%	0.799	S	S	*	*			trans	30.6	123.6	167.5	-57	-38.6	0	0	0	121
424	L	34.8	Very low	33.1	Very low	178 Å²	178	155.2 Å²	155.2	93%	0.932	80%	0.802	S	S	*	*			trans	-141	113.4	150.1	-75.5	179.6	0	0	0	109.2
425	S	29.8	Very low	33	Very low	104 Å²	104	151.7 Å²	151.7	73%	0.727	79%	0.793	S	S	*	*			trans	-79.6	158.8	146.3	45.9	0	0	0	0	109.2
426	E	33	Very low	33	Very low	150 Å²	150	151.3 Å²	151.3	70%	0.701	80%	0.797	S	S	*	*			trans	47	117.8	167.9	-51.6	-159.3	143.9	0	0	119.6
427	E	34.6	Very low	32.8	Very low	186 Å²	186	151 Å²	151	87%	0.869	80%	0.796	S	S	*	*			trans	-168.3	155.9	135.1	-122.6	-175.3	-174.8	0	0	115.5
428	S	34.6	Very low	33	Very low	107 Å²	107	148.4 Å²	148.4	75%	0.748	80%	0.798	S	S	*	*			trans	72.5	109.2	152.8	69.4	0	0	0	0	121.1
429	D	32.1	Very low	33	Very low	103 Å²	103	143.1 Å²	143.1	55%	0.551	78%	0.784	S	S	*	*			trans	-88.7	165.2	140.2	-79.8	-70.8	0	0	0	109.9	R1168	D429-R1168 IonicContact OD2-CZ 3.49Å; D429-R1168 VanDerWaalsContact OD2-CZ 3.24Å; D429-R1168 IonicContact OD2-NH1 2.73Å; D429-R1168 PolarHBondContact OD2-NH1 3.16Å; D429-R1168 IonicContact OD2-NH2 3.5Å; D429-R1168 PolarHBondContact OD2-NH2 3.15Å
430	Q	29	Very low	33	Very low	185 Å²	185	139.6 Å²	139.6	86%	0.864	79%	0.785	S	S	*	*			trans	61.9	129.5	165.6	-56.4	-175.9	36.5	0	0	120.2
431	F	31.4	Very low	33	Very low	178 Å²	178	139.8 Å²	139.8	78%	0.781	79%	0.788	S	S	*	*				-162.8	171.7	126.6	-137.1	-102.8	0	0	0	114.2
432	V	33.9	Very low	32.6	Very low	123 Å²	123	141.9 Å²	141.9	75%	0.745	79%	0.791	S	S	*	*			trans	84.1	66	168.8	-155	0	0	0	0	118.6
433	Q	31.5	Very low	32.6	Very low	144 Å²	144	140.6 Å²	140.6	67%	0.673	79%	0.793	S	S	*	*				3	141.3	129.5	-60.7	165.2	-31.1	0	0	119.6
434	K	36	Very low	32.8	Very low	186 Å²	186	139 Å²	139	81%	0.809	79%	0.788	S	S	*	*				-168.5	112.1	108.8	-106.7	-177.1	174.9	-178.1	0	116.4
435	D	35	Very low	32.5	Very low	121 Å²	121	142 Å²	142	65%	0.647	79%	0.788	S	S	*	*			trans	36.3	114.8	133.8	-36.5	-22.5	0	0	0	120.4
436	N	34.4	Very low	32.7	Very low	171 Å²	171	147.5 Å²	147.5	91%	0.914	79%	0.792	S	S	*	*				-163.2	136.4	116.8	-98.5	-53.2	0	0	0	110.8
437	E	32	Very low	32.5	Very low	185 Å²	185	151.7 Å²	151.7	86%	0.864	80%	0.802	S	S	*	*			trans	-95.8	178.8	-177.8	-63.9	-174.6	108.4	0	0	113.1
438	S	34.8	Very low	32.3	Very low	128 Å²	128	149.2 Å²	149.2	90%	0.895	80%	0.799	S	S	*	*			trans	74.1	143.2	176.8	79.9	0	0	0	0	116.3
439	G	33	Very low	32.2	Very low	61 Å²	61	153 Å²	153	63%	0.629	80%	0.802	S	S	*	*			cis	164.3	151.7	-7.4	0	0	0	0	0	112.9
440	S	33.8	Very low	32.1	Very low	135 Å²	135	155.6 Å²	155.6	94%	0.944	81%	0.808	S	S	*	*			trans	63.7	141.5	-174.6	75.8	0	0	0	0	115.3
441	G	29.3	Very low	32.3	Very low	75 Å²	75	153.4 Å²	153.4	77%	0.773	80%	0.802	S	S	*	*			trans	-124.3	171.9	-179.6	0	0	0	0	0	112.4
442	L	32.4	Very low	32.5	Very low	177 Å²	177	148.6 Å²	148.6	93%	0.927	79%	0.788	S	S	*	*			trans	-139	128.3	171.8	-98.9	163.5	0	0	0	109.2
443	A	29.6	Very low	32.3	Very low	101 Å²	101	148.5 Å²	148.5	84%	0.835	78%	0.784	S	S	*	*			trans	-82.3	134.4	-173.9	0	0	0	0	0	112.3
444	V	33.9	Very low	32.6	Very low	120 Å²	120	149.5 Å²	149.5	73%	0.727	79%	0.788	S	S	*	*			trans	-124.6	103.3	170.1	-178.9	0	0	0	0	110.1
445	R	29.2	Very low	32.4	Very low	242 Å²	242	146.7 Å²	146.7	91%	0.913	79%	0.792	S	S	*	*			trans	-70.5	127.8	165.9	-73.7	172.5	162.2	-179.6	-7.1	110.3
446	R	32.8	Very low	32.2	Very low	220 Å²	220	144.6 Å²	144.6	83%	0.83	80%	0.799	S	S	*	*			trans	-154.5	99.6	148.4	-93.4	124.8	-170.6	-156.5	2.3	107.5
447	R	29.8	Very low	32.1	Very low	237 Å²	237	141.3 Å²	141.3	89%	0.894	80%	0.795	S	S	*	*				77	93.7	93.6	-89.3	-167.8	174.6	174.2	-1.6	112.5
448	V	29.6	Very low	32.2	Very low	134 Å²	134	137.2 Å²	137.2	81%	0.812	79%	0.793	S	S	*	*			trans	-41	133.2	145.3	173.1	0	0	0	0	109.7	K450	V448-K450 HydrophobicContact CG1-CB 4.43Å
449	K	33.5	Very low	32.2	Very low	187 Å²	187	138.3 Å²	138.3	81%	0.813	79%	0.789	S	S	*	*			trans	-107.8	97.7	155.3	-94.9	-166.5	170.3	-169.7	0	107.5	L451	K449-L451 PolarHBondContact O-N 2.71Å
450	K	28.9	Very low	32.4	Very low	157 Å²	157	143.4 Å²	143.4	68%	0.683	80%	0.802	S	S	*	*			trans	-69.5	123.8	160.7	-164.8	-177.7	-179.6	-161.6	0	105.8	V448 D453	V448-K450 HydrophobicContact CG1-CB 4.43Å; K450-D453 VanDerWaalsContact CE-OD2 3.28Å; K450-D453 WeakPolarHBondContact CE-OD2 3.17Å; K450-D453 IonicContact NZ-OD2 3.95Å; K450-D453 PolarHBondContact NZ-OD2 2.66Å
451	L	33.6	Very low	32.4	Very low	140 Å²	140	146 Å²	146	73%	0.733	80%	0.797	S	S	*	*			trans	-107.3	149.8	169.6	-79.8	166.2	0	0	0	107.9	K449	K449-L451 PolarHBondContact O-N 2.71Å
452	P	35.5	Very low	32.8	Very low	76 Å²	76	147.3 Å²	147.3	49%	0.494	80%	0.8	S	S	.	*				-100.3	145.9	-127	-11.6	30.7	0	0	0	115.2	H454	P452-H454 WeakPolarHBondContact CB-CE1 3.35Å; P452-H454 WeakPolarHBondContact CB-NE2 3.43Å; P452-H454 PolarHBondContact O-N 3.4Å
453	D	29.1	Very low	32.9	Very low	122 Å²	122	145.7 Å²	145.7	65%	0.652	79%	0.792	S	S	*	*			trans	-68.2	112.1	156.5	-48.3	-69.3	0	0	0	108.2	K450	K450-D453 VanDerWaalsContact CE-OD2 3.28Å; K450-D453 WeakPolarHBondContact CE-OD2 3.17Å; K450-D453 IonicContact NZ-OD2 3.95Å; K450-D453 PolarHBondContact NZ-OD2 2.66Å
454	H	37.7	Very low	33.1	Very low	164 Å²	164	148.6 Å²	148.6	76%	0.759	79%	0.792	S	S	*	*			trans	-129	88.8	177.5	-75.6	-12.7	0	0	0	110.2	P452	P452-H454 WeakPolarHBondContact CB-CE1 3.35Å; P452-H454 WeakPolarHBondContact CB-NE2 3.43Å; P452-H454 PolarHBondContact O-N 3.4Å
455	S	32.3	Very low	33.1	Very low	127 Å²	127	147.9 Å²	147.9	89%	0.888	79%	0.79	S	S	*	*			trans	-76.5	133.7	159.5	42.9	0	0	0	0	109.8
456	G	31.5	Very low	33.1	Very low	78 Å²	78	144.6 Å²	144.6	80%	0.804	79%	0.789	S	S	*	*			trans	171.1	117.4	178	0	0	0	0	0	109.8
457	A	32.5	Very low	33.2	Very low	101 Å²	101	138.4 Å²	138.4	84%	0.835	79%	0.786	S	S	*	*			trans	-84.2	152.6	-175.6	0	0	0	0	0	112.3
458	A	34.6	Very low	33.2	Very low	99 Å²	99	132.2 Å²	132.2	82%	0.818	78%	0.778	S	S	*	*			trans	-155.5	132.2	135.3	0	0	0	0	0	107.3
459	D	33.9	Very low	33.5	Very low	152 Å²	152	132.7 Å²	132.7	81%	0.813	78%	0.781	S	S	*	*			trans	-77.8	152.8	167.8	-65.3	-87.3	0	0	0	109.8
460	D	37.3	Very low	33.5	Very low	167 Å²	167	129.8 Å²	129.8	89%	0.893	78%	0.779	S	S	*	*			trans	-160.5	149.1	133.1	-122.8	-29.6	0	0	0	112.2
461	K	34.5	Very low	33.6	Very low	191 Å²	191	128.8 Å²	128.8	83%	0.83	78%	0.777	S	S	*	*			trans	-109.6	138.7	175.7	-73.8	-177.9	178.8	178.4	0	110.6
462	A	35.8	Very low	33.6	Very low	102 Å²	102	128.4 Å²	128.4	84%	0.843	78%	0.783	S	S	*	*			trans	-144.9	120.7	158.2	0	0	0	0	0	110.3
463	D	35.3	Very low	33.3	Very low	142 Å²	142	131.6 Å²	131.6	76%	0.759	79%	0.791	S	S	*	*			trans	-83.1	-171.6	174.8	-70.4	-79.8	0	0	0	112.1
464	I	33.3	Very low	33.5	Very low	162 Å²	162	135 Å²	135	83%	0.831	80%	0.8	S	S	*	*			trans	80.9	141.7	159.5	-53	174.5	0	0	0	115.3
465	P	34.9	Very low	33.2	Very low	106 Å²	106	133 Å²	133	69%	0.688	80%	0.8	S	S	*	*			cis	-120.5	154.5	-4.3	26.9	-7.4	0	0	0	116.2	A467	P465-A467 PolarHBondContact O-N 3.22Å
466	L	29	Very low	33.1	Very low	172 Å²	172	132.4 Å²	132.4	90%	0.901	80%	0.796	S	S	*	*			trans	-53.4	123.6	149.2	174.8	72.9	0	0	0	111
467	A	34.8	Very low	33.1	Very low	91 Å²	91	136.5 Å²	136.5	75%	0.752	80%	0.799	S	S	*	*			trans	-120.3	104.6	175.4	0	0	0	0	0	111.4	P465	P465-A467 PolarHBondContact O-N 3.22Å
468	S	29.8	Very low	33.1	Very low	106 Å²	106	138.2 Å²	138.2	74%	0.741	80%	0.799	S	S	*	*			trans	-82.5	140.2	179.6	50.4	0	0	0	0	112.4
469	V	35.9	Very low	32.9	Very low	145 Å²	145	136.8 Å²	136.8	88%	0.879	80%	0.795	S	S	*	*			trans	-124.6	107.6	164.8	-176.1	0	0	0	0	109.2
470	T	33.6	Very low	32.8	Very low	125 Å²	125	136.7 Å²	136.7	77%	0.767	79%	0.794	S	S	*	*			trans	-49.9	156.7	-174.3	48	0	0	0	0	117.6
471	E	31.2	Very low	32.6	Very low	136 Å²	136	139.6 Å²	139.6	64%	0.636	79%	0.792	S	S	*	*			trans	-46.4	171.2	167.6	-48.6	171.5	118.8	0	0	115.1	Q473	E471-Q473 HydrophobicContact CB-CG 4.44Å; E471-Q473 HydrophobicContact CG-CG 4.46Å; E471-Q473 WeakPolarHBondContact OE1-CG 3.36Å; E471-Q473 PolarHBondContact OE1-NE2 2.71Å; E471-Q473 VanDerWaalsContact OE2-CG 3.31Å; E471-Q473 WeakPolarHBondContact OE2-CG 3.47Å; E471-Q473 PolarHBondContact OE2-NE2 3.32Å; E471-Q473 VanDerWaalsContact OE2-NE2 3.09Å
472	P	33.7	Very low	32.4	Very low	132 Å²	132	141.9 Å²	141.9	86%	0.857	80%	0.796	S	S	*	*				-126	136.5	99.5	35.8	-32.6	0	0	0	114.5
473	Q	28.6	Very low	32.1	Very low	144 Å²	144	141.6 Å²	141.6	67%	0.673	79%	0.788	S	S	*	*			trans	-68.2	154.5	-179.7	-62.3	-176.9	-8.3	0	0	113.8	E471	E471-Q473 HydrophobicContact CB-CG 4.44Å; E471-Q473 HydrophobicContact CG-CG 4.46Å; E471-Q473 WeakPolarHBondContact OE1-CG 3.36Å; E471-Q473 PolarHBondContact OE1-NE2 2.71Å; E471-Q473 VanDerWaalsContact OE2-CG 3.31Å; E471-Q473 WeakPolarHBondContact OE2-CG 3.47Å; E471-Q473 PolarHBondContact OE2-NE2 3.32Å; E471-Q473 VanDerWaalsContact OE2-NE2 3.09Å
474	K	33	Very low	31.6	Very low	192 Å²	192	141.2 Å²	141.2	84%	0.835	79%	0.79	S	S	*	*			trans	-149	101.6	143.8	-131.6	170	-172.4	173.6	0	115.3
475	T	32.6	Very low	31.3	Very low	124 Å²	124	140.2 Å²	140.2	76%	0.761	79%	0.785	S	S	*	*			trans	55.1	108.3	147.2	55.4	0	0	0	0	118.6
476	S	30	Very low	31.1	Very low	113 Å²	113	142.5 Å²	142.5	79%	0.79	79%	0.79	S	S	*	*			trans	-53.8	154.3	160.2	52	0	0	0	0	113.8
477	N	30.3	Very low	30.9	Very low	164 Å²	164	142.4 Å²	142.4	88%	0.877	79%	0.785	S	S	*	*			trans	-151.1	117.3	145.4	-138.2	0.9	0	0	0	110.4
478	T	32.3	Very low	31.1	Very low	137 Å²	137	144 Å²	144	84%	0.84	79%	0.787	S	S	*	*			trans	-77.2	142	174.3	46.8	0	0	0	0	110.6
479	G	31.2	Very low	31.2	Very low	70 Å²	70	146.8 Å²	146.8	72%	0.722	79%	0.794	S	S	*	*			trans	-165.8	71.4	-174.5	0	0	0	0	0	115.5	R481	G479-R481 PolarHBondContact O-N 3.5Å
480	D	30.9	Very low	31.1	Very low	150 Å²	150	143 Å²	143	80%	0.802	78%	0.784	S	S	*	*			trans	-57.2	127.2	159	170.4	29.4	0	0	0	109.8
481	R	33.8	Very low	30.9	Very low	227 Å²	227	144.7 Å²	144.7	86%	0.857	79%	0.788	S	S	*	*			trans	-159.3	108.9	173.4	-117.4	167	-164.9	-167.8	2.5	115	G479	G479-R481 PolarHBondContact O-N 3.5Å
482	R	30.1	Very low	31	Very low	239 Å²	239	145.5 Å²	145.5	90%	0.902	80%	0.796	S	S	*	*			trans	-71.7	125.6	155.6	-74.1	170.5	158.9	174	-7	111.2
483	S	29.2	Very low	30.8	Very low	97 Å²	97	143.7 Å²	143.7	68%	0.678	79%	0.792	S	S	*	*			trans	-163.9	118.2	157.2	49.6	0	0	0	0	106.8
484	V	25.8	Very low	30.7	Very low	133 Å²	133	141.7 Å²	141.7	81%	0.806	80%	0.8	S	S	*	*			cis	63.5	141.6	48	-163.8	0	0	0	0	111.8
485	I	27	Very low	30.6	Very low	142 Å²	142	137.4 Å²	137.4	73%	0.728	80%	0.801	S	S	*	*			trans	102.2	97.3	169	-54.4	-173.3	0	0	0	116.9
486	I	30.6	Very low	30.5	Very low	154 Å²	154	136.4 Å²	136.4	79%	0.79	81%	0.805	S	S	*	*			trans	73	125.5	139	-61.4	175	0	0	0	120.4
487	Q	23.7	Very low	30.5	Very low	170 Å²	170	136 Å²	136	79%	0.794	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-87.2	142.9	157.4	-63	170.9	-17.7	0	0	110
488	P	38.9	Very low	30.5	Very low	123 Å²	123	133.5 Å²	133.5	80%	0.799	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-87.4	137.3	157.1	33.7	-29.4	0	0	0	110.8
489	D	33	Very low	30.7	Very low	165 Å²	165	133 Å²	133	88%	0.882	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-70.1	158	174.6	-53.3	-82.8	0	0	0	112.9
490	G	32.5	Very low	30.9	Very low	65 Å²	65	137.7 Å²	137.7	67%	0.67	81%	0.805	S	S	*	*			trans	147.8	110.5	147.6	0	0	0	0	0	120
491	L	31	Very low	30.8	Very low	162 Å²	162	136.2 Å²	136.2	85%	0.848	81%	0.807	S	S	*	*			trans	85.2	133.3	141.3	-86.9	68.4	0	0	0	122.4
492	L	31.9	Very low	30.9	Very low	152 Å²	152	130 Å²	130	80%	0.796	80%	0.798	S	S	*	*			trans	62.7	114.1	168.2	-78	74.2	0	0	0	116.6
493	A	30.2	Very low	31.1	Very low	94 Å²	94	124.5 Å²	124.5	78%	0.777	79%	0.791	S	S	*	*			cis	73.8	138.7	19	0	0	0	0	0	115.5
494	A	27.4	Very low	31.3	Very low	102 Å²	102	124.2 Å²	124.2	84%	0.843	79%	0.789	S	S	*	*			cis	-167.4	145.9	-13.8	0	0	0	0	0	112.7
495	A	29.2	Very low	31.9	Very low	103 Å²	103	126.8 Å²	126.8	85%	0.851	79%	0.792	S	S	*	*			trans	-177.8	142.2	155.1	0	0	0	0	0	108.1
496	A	31.4	Very low	32.2	Very low	102 Å²	102	125 Å²	125	84%	0.843	79%	0.792	S	S	*	*			cis	-144.9	155	-11.4	0	0	0	0	0	109.4
497	A	29	Very low	32.5	Very low	104 Å²	104	123.4 Å²	123.4	86%	0.86	79%	0.792	S	S	*	*			trans	-155.6	125	-179.5	0	0	0	0	0	115.2
498	S	31.7	Very low	33.2	Very low	113 Å²	113	120.4 Å²	120.4	79%	0.79	79%	0.787	S	S	*	*			trans	179.7	148.1	161.6	-112.2	0	0	0	0	106.7
499	V	36.3	Very low	32.8	Very low	125 Å²	125	123 Å²	123	76%	0.758	79%	0.789	S	S	*	*			cis	-152.2	155.7	15.4	-104.7	0	0	0	0	107.6
500	M	35.1	Very low	32.9	Very low	169 Å²	169	120.3 Å²	120.3	83%	0.833	78%	0.782	S	S	*	*			cis	-162.6	161.3	-11.1	-142.6	175.3	-165.1	0	0	108.3
501	S	28.7	Very low	32.9	Very low	120 Å²	120	122.2 Å²	122.2	84%	0.839	79%	0.786	S	S	*	*			trans	-157.2	122.9	165.8	-178.2	0	0	0	0	112.2
502	S	36	Very low	33.1	Very low	95 Å²	95	118.9 Å²	118.9	66%	0.664	78%	0.782	S	S	*	*			trans	-164.1	91.7	169.2	61.2	0	0	0	0	114
503	T	33.4	Very low	33.3	Very low	125 Å²	125	118.2 Å²	118.2	77%	0.767	78%	0.779	S	S	*	*			trans	43.9	121.5	133.4	56.4	0	0	0	0	122.7
504	S	33.8	Very low	33.7	Very low	90 Å²	90	121 Å²	121	63%	0.629	78%	0.78	S	S	*	*			trans	58.5	115.5	134.7	64.3	0	0	0	0	121.9
505	H	38.5	Very low	34.1	Very low	187 Å²	187	119.8 Å²	119.8	87%	0.866	78%	0.778	S	S	*	*				-176.3	149.9	94.3	-92.8	-69.7	0	0	0	112.2
506	S	34.1	Very low	34.3	Very low	106 Å²	106	126.4 Å²	126.4	74%	0.741	78%	0.781	S	S	*	*			trans	-86.3	170.3	171.2	48.9	0	0	0	0	110.8
507	P	36.7	Very low	34.6	Very low	120 Å²	120	126 Å²	126	78%	0.779	78%	0.777	S	S	*	*			cis	-141.6	-141.9	34.4	46	-21.9	0	0	0	114.1
508	P	37.6	Very low	35	Very low	107 Å²	107	129.3 Å²	129.3	70%	0.695	78%	0.775	S	S	*	*				-132.9	-172.7	-121.1	40.1	-16.8	0	0	0	117.2
509	E	31.4	Very low	35.1	Very low	178 Å²	178	129.4 Å²	129.4	83%	0.832	77%	0.77	S	S	*	*			trans	71.5	122.2	151.6	-84.3	178.5	-152.7	0	0	122.7
510	S	34.1	Very low	35	Very low	107 Å²	107	132.5 Å²	132.5	75%	0.748	77%	0.774	S	S	*	*				111.6	132.5	124.8	74.4	0	0	0	0	121.7
511	S	33.9	Very low	34.9	Very low	106 Å²	106	128.8 Å²	128.8	74%	0.741	76%	0.764	S	S	*	*			trans	56.1	91.9	150.9	54.7	0	0	0	0	121.9
512	A	34.7	Very low	35.2	Very low	92 Å²	92	130.1 Å²	130.1	76%	0.76	76%	0.762	S	S	*	*				58.5	146.7	101.7	0	0	0	0	0	123.9
513	N	35.9	Very low	35	Very low	138 Å²	138	135.1 Å²	135.1	74%	0.738	77%	0.772	S	S	*	*			trans	104.7	130.9	144.4	-96.8	56	0	0	0	122.7
514	D	38.2	Very low	35	Very low	152 Å²	152	136 Å²	136	81%	0.813	78%	0.777	S	S	*	*			trans	64.5	149.1	154.1	-70.2	-57.3	0	0	0	121.3
515	G	35.9	Very low	34.8	Very low	76 Å²	76	139.1 Å²	139.1	78%	0.784	79%	0.787	S	S	*	*			trans	167.5	-12.2	175.1	0	0	0	0	0	119.5	A517	G515-A517 PolarHBondContact O-N 2.73Å
516	R	34.5	Very low	34.6	Very low	243 Å²	243	135.5 Å²	135.5	92%	0.917	78%	0.783	S	S	*	*			trans	-17.6	118.1	169.8	174.7	-162.3	-176.3	171.9	3.6	117.6
517	A	36.8	Very low	34.4	Very low	92 Å²	92	141.8 Å²	141.8	76%	0.76	79%	0.79	S	S	*	*			trans	-172.6	112.3	139.9	0	0	0	0	0	118	G515	G515-A517 PolarHBondContact O-N 2.73Å
518	Q	37.5	Very low	34.3	Very low	174 Å²	174	141.3 Å²	141.3	81%	0.813	79%	0.79	S	S	*	*				57.4	108.9	129.7	-66.1	-161.9	-5.6	0	0	125.2
519	V	33.1	Very low	34	Very low	115 Å²	115	144.2 Å²	144.2	70%	0.697	80%	0.8	S	S	*	*				53.9	113	105	176.9	0	0	0	0	119.5
520	K	35.1	Very low	34	Very low	191 Å²	191	139.2 Å²	139.2	83%	0.83	80%	0.795	S	S	*	*				-169.1	161.8	103	-122	126.3	-166.6	172.8	0	114.4
521	S	34	Very low	34	Very low	90 Å²	90	141.3 Å²	141.3	63%	0.629	80%	0.804	S	S	*	*			trans	-83.5	164.2	173.7	55.7	0	0	0	0	113
522	N	33.9	Very low	33.8	Very low	149 Å²	149	145.9 Å²	145.9	80%	0.797	81%	0.814	S	S	*	*				-176.1	150.7	112	-89.5	-5.8	0	0	0	113.9
523	F	31.3	Very low	33.9	Very low	200 Å²	200	145.1 Å²	145.1	88%	0.877	82%	0.815	S	S	*	*			trans	-58.9	153.3	160.5	-91.3	-126.5	0	0	0	111.3
524	T	34.2	Very low	33.8	Very low	143 Å²	143	145.5 Å²	145.5	88%	0.877	82%	0.817	S	S	*	*				-167.5	158.6	120.2	13.1	0	0	0	0	112.8
525	N	29.5	Very low	33.4	Very low	155 Å²	155	145 Å²	145	83%	0.829	81%	0.81	S	S	*	*			trans	-116.5	129.3	179.9	172.6	8.5	0	0	0	108.4
526	S	34.2	Very low	33.3	Very low	111 Å²	111	149 Å²	149	78%	0.776	81%	0.806	S	S	*	*			trans	-158	134.9	175.7	42	0	0	0	0	114.5
527	R	29.5	Very low	33.1	Very low	238 Å²	238	146.1 Å²	146.1	90%	0.898	80%	0.8	S	S	*	*			trans	-98.4	139.3	167.7	-70.7	166.9	158.8	168	-8.6	110.5
528	S	35.2	Very low	32.9	Very low	111 Å²	111	148.5 Å²	148.5	78%	0.776	80%	0.799	S	S	*	*			trans	-170.4	120.7	149	36.4	0	0	0	0	108.8
529	N	30.8	Very low	32.4	Very low	168 Å²	168	147.3 Å²	147.3	90%	0.898	80%	0.798	S	S	*	*				88.2	105.6	60.8	-88	11.4	0	0	0	114.4
530	G	31.1	Very low	32.5	Very low	72 Å²	72	147 Å²	147	74%	0.742	80%	0.801	S	S	*	*			trans	101	115.5	130.7	0	0	0	0	0	119.1
531	T	34.6	Very low	32.5	Very low	152 Å²	152	145.5 Å²	145.5	93%	0.933	80%	0.797	S	S	*	*				-154.9	155.8	115.4	-4.1	0	0	0	0	110.8
532	E	30.7	Very low	32.4	Very low	202 Å²	202	145.7 Å²	145.7	94%	0.944	80%	0.798	S	S	*	*			trans	-97.6	160.5	-172.1	-59.1	165.4	118.9	0	0	112
533	G	35.8	Very low	32.6	Very low	76 Å²	76	147.2 Å²	147.2	78%	0.784	80%	0.798	S	S	*	*			trans	-158.1	24.5	-166.6	0	0	0	0	0	120.2
534	N	33.7	Very low	32.6	Very low	145 Å²	145	142 Å²	142	78%	0.775	79%	0.786	S	S	*	*			trans	47.2	125.5	163.8	-85.7	-36.8	0	0	0	122.2
535	E	29.6	Very low	32.5	Very low	143 Å²	143	140.6 Å²	140.6	67%	0.668	78%	0.777	S	S	*	*			trans	4.5	136.5	136.5	-48	-178.9	118.7	0	0	119.9
536	K	34.7	Very low	32.5	Very low	160 Å²	160	140.2 Å²	140.2	70%	0.696	77%	0.774	S	S	*	*				176.9	122.7	92.6	-106.7	119.3	-172.7	149.3	0	115.3
537	K	30.1	Very low	32.4	Very low	182 Å²	182	141.2 Å²	141.2	79%	0.791	78%	0.776	S	S	*	*				57.7	141.5	119.1	-111.1	-174.8	173.1	-178.8	0	123.3
538	L	32.1	Very low	32.4	Very low	141 Å²	141	133.5 Å²	133.5	74%	0.738	76%	0.763	S	S	*	*			trans	97.5	106	141.7	-72	165.1	0	0	0	121.9
539	N	28	Very low	32.3	Very low	150 Å²	150	135.3 Å²	135.3	80%	0.802	76%	0.764	S	S	*	*			trans	-12.7	139.7	138	-54.9	5.7	0	0	0	119
540	S	34.8	Very low	32.3	Very low	108 Å²	108	132 Å²	132	76%	0.755	75%	0.754	S	S	*	*				175.7	153.8	128.1	41.6	0	0	0	0	109.4
541	E	34.4	Very low	32.3	Very low	159 Å²	159	134.8 Å²	134.8	74%	0.743	76%	0.757	S	S	*	*			cis	-156.9	131.5	-20	-106.1	-171.7	121.9	0	0	106.2
542	S	32.7	Very low	32.3	Very low	94 Å²	94	130.8 Å²	130.8	66%	0.657	75%	0.746	S	S	*	*				67.9	105.5	84.7	-56.4	0	0	0	0	116.9
543	K	37.5	Very low	32.3	Very low	181 Å²	181	130.8 Å²	130.8	79%	0.787	75%	0.746	S	S	*	*			trans	169.8	117.1	133	-90.2	148.2	-168.3	160	0	109.6
544	S	30.9	Very low	32.3	Very low	91 Å²	91	130.8 Å²	130.8	64%	0.636	75%	0.746	S	S	*	*				67.3	137.9	76.4	83.3	0	0	0	0	112.5
545	T	32.5	Very low	32.6	Very low	113 Å²	113	129.6 Å²	129.6	69%	0.693	75%	0.749	S	S	*	*			cis	-161.6	120.6	47.3	-63	0	0	0	0	107.5
546	L	29.7	Very low	33	Very low	147 Å²	147	127.7 Å²	127.7	77%	0.77	75%	0.751	S	S	*	*				68.2	145.6	81.6	-74.6	168.9	0	0	0	117.1
547	T	31.9	Very low	33.3	Very low	133 Å²	133	130 Å²	130	82%	0.816	76%	0.761	S	S	*	*			trans	78.3	154.2	166.1	73.1	0	0	0	0	119.4
548	A	30.3	Very low	33.7	Very low	75 Å²	75	132.6 Å²	132.6	62%	0.62	77%	0.766	S	S	*	*			cis	-174.1	170.8	-31.6	0	0	0	0	0	110.9
549	N	31.6	Very low	33.9	Very low	149 Å²	149	133.4 Å²	133.4	80%	0.797	77%	0.771	S	S	*	*			trans	71.9	121.4	161	-58.2	-17	0	0	0	116.6
550	S	31.1	Very low	34.5	Very low	99 Å²	99	131.6 Å²	131.6	69%	0.692	77%	0.77	S	S	*	*				84.3	150.9	67.5	91.3	0	0	0	0	113.2
551	T	31.6	Very low	34.3	Very low	131 Å²	131	134 Å²	134	80%	0.804	77%	0.773	S	S	*	*			cis	-160.9	152.2	23.8	-23.1	0	0	0	0	112.6
552	G	33.8	Very low	34.5	Very low	68 Å²	68	133 Å²	133	70%	0.701	78%	0.778	S	S	*	*			trans	91.2	155.8	148.9	0	0	0	0	0	119.6
553	E	32.4	Very low	34.7	Very low	202 Å²	202	132.7 Å²	132.7	94%	0.944	78%	0.781	S	S	*	*			cis	-164.6	153.2	-24.1	-140.1	173.6	-159.6	0	0	112.8
554	G	35.6	Very low	34.5	Very low	75 Å²	75	130.1 Å²	130.1	77%	0.773	78%	0.783	S	S	*	*			trans	92.7	143.8	170.2	0	0	0	0	0	116.8
555	S	39.2	Very low	34.8	Very low	121 Å²	121	131.7 Å²	131.7	85%	0.846	79%	0.793	S	S	*	*			cis	-150.2	121.5	-4.9	-170.4	0	0	0	0	114.2
556	S	38.1	Very low	34.7	Very low	102 Å²	102	133.6 Å²	133.6	71%	0.713	80%	0.799	S	S	*	*			trans	-10.2	133.3	165.9	-50.1	0	0	0	0	123
557	K	41.1	Very low	35	Very low	208 Å²	208	134.1 Å²	134.1	90%	0.904	80%	0.803	S	S	*	*				160.7	139.2	123.4	-85.2	151	-167	169.3	0	110.1
558	R	38.5	Very low	35	Very low	237 Å²	237	135.7 Å²	135.7	89%	0.894	81%	0.806	S	S	*	*			cis	-152.8	158.3	-0.5	-170.6	176.9	-174.2	177.4	1	109.8
559	L	36.7	Very low	35	Very low	159 Å²	159	137.2 Å²	137.2	83%	0.832	81%	0.813	S	S	*	*			trans	-56.6	163	-179.7	-64.3	117	0	0	0	114.3
560	S	39.3	Very low	35.2	Very low	112 Å²	112	135.1 Å²	135.1	78%	0.783	82%	0.816	S	S	*	*			cis	-154.9	159.5	39.9	54	0	0	0	0	118.2
561	L	32	Very low	35.2	Very low	157 Å²	157	136.4 Å²	136.4	82%	0.822	83%	0.825	S	S	*	*			trans	-74	159.8	172.4	-89.4	61.7	0	0	0	113.9
562	V	38.6	Very low	35.4	Very low	139 Å²	139	132.7 Å²	132.7	84%	0.842	81%	0.813	S	S	*	*				-168.1	136	114.8	143.5	0	0	0	0	111.4
563	A	37.2	Very low	35.6	Very low	88 Å²	88	137.7 Å²	137.7	73%	0.727	82%	0.818	S	S	*	*			trans	29.1	138.4	161.7	0	0	0	0	0	123.2
564	P	33.5	Very low	35.9	Very low	127 Å²	127	132.1 Å²	132.1	83%	0.825	80%	0.801	S	S	*	*			trans	-90.6	154	171.1	37.5	-34.1	0	0	0	113.7
565	S	35.9	Very low	36	Very low	123 Å²	123	131.8 Å²	131.8	86%	0.86	79%	0.791	S	S	*	*			trans	-138.7	143.1	163.5	-74.5	0	0	0	0	110
566	N	30.6	Very low	35.9	Very low	153 Å²	153	129.1 Å²	129.1	82%	0.818	77%	0.772	S	S	*	*			trans	-62.5	146.5	176.7	-68.8	-14	0	0	0	112
567	N	36.1	Very low	36.2	Very low	158 Å²	158	129.9 Å²	129.9	85%	0.845	77%	0.768	S	S	*	*			trans	-151.3	124.2	148.8	-101.3	-25.7	0	0	0	110
568	N	31.5	Very low	36.2	Very low	166 Å²	166	126.8 Å²	126.8	89%	0.888	76%	0.755	S	S	*	*			trans	-91.1	106.2	176	-73.6	-14.7	0	0	0	109.4
569	S	31.5	Very low	36.1	Very low	108 Å²	108	124.8 Å²	124.8	76%	0.755	75%	0.747	S	S	*	*			trans	-162.9	55.4	175.3	47.5	0	0	0	0	113.4
570	A	35.1	Very low	36.5	Very low	105 Å²	105	122.1 Å²	122.1	87%	0.868	73%	0.726	S	S	*	*			trans	-142.3	32.7	-179.8	0	0	0	0	0	114.2
571	S	31.3	Very low	36.7	Very low	125 Å²	125	120 Å²	120	87%	0.874	71%	0.712	S	S	*	*			trans	-123.8	51.8	-172.2	59.5	0	0	0	0	113.4
572	G	35.2	Very low	37.2	Very low	53 Å²	53	118.4 Å²	118.4	55%	0.546	70%	0.703	S	S	.	*	S	Bend	trans	-116.1	-46.2	177	0	0	0	0	0	114.4	S574 A575	G572-S574 VanDerWaalsContact C-N 3.27Å; G572-S574 PolarHBondContact O-N 2.68Å; G572-A575 PolarHBondContact O-N 3.25Å
573	Q	38.6	Very low	37.5	Very low	174 Å²	174	117.4 Å²	117.4	81%	0.813	69%	0.692	S	S	*	*	H	α-helix	trans	-77.7	-2.4	-169.3	-66.9	175	-10.4	0	0	115.1
574	S	38.8	Very low	37.9	Very low	85 Å²	85	119.5 Å²	119.5	59%	0.594	69%	0.685	S	S	*	*	H	α-helix	trans	-90.1	-11.1	175.7	-173.8	0	0	0	0	113.7	G572	G572-S574 VanDerWaalsContact C-N 3.27Å; G572-S574 PolarHBondContact O-N 2.68Å
575	A	36.9	Very low	38.2	Very low	68 Å²	68	119.3 Å²	119.3	56%	0.562	67%	0.673	S	S	*	*	H	α-helix	trans	-85.6	-44.2	-176.7	0	0	0	0	0	112.2	G572 N577 K578 R579	G572-A575 PolarHBondContact O-N 3.25Å; A575-N577 PolarHBondContact O-N 3.38Å; A575-K578 PolarHBondContact O-N 2.67Å; A575-K578 VanDerWaalsContact O-N 3.15Å; A575-R579 PolarHBondContact O-N 3.04Å
576	S	38	Very low	38.2	Very low	64 Å²	64	118.4 Å²	118.4	45%	0.448	66%	0.663	S	S	.	*	H	α-helix	trans	-57.8	-47	176.7	49.5	0	0	0	0	112.2	K578 R579 R580	S576-K578 PolarHBondContact O-N 3.06Å; S576-R579 PolarHBondContact O-N 2.93Å; S576-R580 PolarHBondContact O-N 2.83Å
577	N	42.9	Very low	38.8	Very low	118 Å²	118	117.4 Å²	117.4	63%	0.631	66%	0.662	S	S	*	*	H	α-helix	trans	-66.9	-23.1	179.3	-68.7	11.1	0	0	0	113.1	A575	A575-N577 PolarHBondContact O-N 3.38Å
578	K	41.1	Very low	39.5	Very low	143 Å²	143	116.1 Å²	116.1	62%	0.622	65%	0.654	S	S	*	*	H	α-helix	trans	-81.1	-32.8	170.3	-76.9	-167.7	171	-165.2	0	112.5	A575 S576 S581 L582	A575-K578 PolarHBondContact O-N 2.67Å; A575-K578 VanDerWaalsContact O-N 3.15Å; S576-K578 PolarHBondContact O-N 3.06Å; K578-S581 WeakPolarHBondContact O-CB 3.49Å; K578-S581 PolarHBondContact O-N 3.47Å; K578-L582 WeakPolarHBondContact O-CG 3.06Å; K578-L582 PolarHBondContact O-N 2.98Å
579	R	38	Very low	40.8	Very low	195 Å²	195	114.8 Å²	114.8	74%	0.736	64%	0.642	S	S	*	*	H	α-helix	trans	-64.9	-43	171.9	-106.2	-176.5	166.4	-169	-7.5	112.5	A575 S576 S581 L582 L583	A575-R579 PolarHBondContact O-N 3.04Å; S576-R579 PolarHBondContact O-N 2.93Å; R579-S581 PolarHBondContact O-N 2.66Å; R579-L582 PolarHBondContact O-N 3.34Å; R579-L583 PolarHBondContact O-N 3.35Å
580	R	44.2	Very low	42.6	Very low	104 Å²	104	113.5 Å²	113.5	39%	0.392	62%	0.624	S	S	.	*	H	α-helix	trans	-64.7	-19.6	173.7	-69.8	-174.5	92.3	160.6	-5.6	113.8	D312 E315 S576	D312-R580 IonicContact OD1-CZ 2.78Å; D312-R580 IonicContact OD1-NH1 2.75Å; D312-R580 PolarHBondContact OD1-NH1 2.86Å; D312-R580 IonicContact OD1-NH2 3.3Å; D312-R580 PolarHBondContact OD1-NH2 2.9Å; D312-R580 IonicContact OD2-NH1 3.75Å; E315-R580 VanDerWaalsContact CD-NH2 3.3Å; E315-R580 IonicContact OE1-CZ 3.44Å; E315-R580 IonicContact OE1-NE 2.71Å; E315-R580 PolarHBondContact OE1-NE 3.28Å; E315-R580 IonicContact OE1-NH2 3.83Å; E315-R580 PolarHBondContact OE1-NH2 3.49Å; E315-R580 IonicContact OE2-CZ 3.69Å; E315-R580 IonicContact OE2-NE 3.17Å; E315-R580 IonicContact OE2-NH2 2.7Å; E315-R580 PolarHBondContact OE2-NH2 2.76Å; S576-R580 PolarHBondContact O-N 2.83Å
581	S	42.7	Very low	44.7	Very low	68 Å²	68	111.6 Å²	111.6	48%	0.476	60%	0.602	S	S	.	*	H	α-helix	trans	-78.1	-48.8	172.3	-161.3	0	0	0	0	111.7	K578 R579 L583 F584	K578-S581 WeakPolarHBondContact O-CB 3.49Å; K578-S581 PolarHBondContact O-N 3.47Å; R579-S581 PolarHBondContact O-N 2.66Å; S581-L583 PolarHBondContact O-N 3.24Å; S581-F584 PolarHBondContact O-N 2.76Å
582	L	42.8	Very low	47.3	Very low	123 Å²	123	106.4 Å²	106.4	64%	0.644	57%	0.565	S	S	*	*	H	α-helix	trans	-82.5	-7.2	-166.5	-66	169.7	0	0	0	115	K578 R579	K578-L582 WeakPolarHBondContact O-CG 3.06Å; K578-L582 PolarHBondContact O-N 2.98Å; R579-L582 PolarHBondContact O-N 3.34Å
583	L	45	Very low	49.8	Very low	117 Å²	117	104.4 Å²	104.4	61%	0.613	54%	0.543	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.2	-11.6	173	-81.8	165.3	0	0	0	113.7	R579 S581	R579-L583 PolarHBondContact O-N 3.35Å; S581-L583 PolarHBondContact O-N 3.24Å
584	F	45.7	Very low	52.1	Low	132 Å²	132	96.4 Å²	96.4	58%	0.579	51%	0.506	S	S	*	.	S	Bend	trans	-105	8	175.3	-77.4	-82.7	0	0	0	113	S581	S581-F584 PolarHBondContact O-N 2.76Å
585	E	39.5	Very low	54.5	Low	124 Å²	124	98.5 Å²	98.5	58%	0.579	51%	0.505	S	S	*	.			trans	-106.6	7.9	-170.4	-154.8	157.3	-164	0	0	113.6	V587	E585-V587 VanDerWaalsContact C-N 3.32Å; E585-V587 PolarHBondContact O-N 2.89Å; E585-V587 VanDerWaalsContact O-N 3.12Å
586	T	35.7	Very low	57.1	Low	104 Å²	104	98.6 Å²	98.6	64%	0.638	49%	0.494	S	S	*	.	S	Bend	trans	-69.3	95.7	146.1	31.8	0	0	0	0	107.9	I588	T586-I588 PolarHBondContact O-N 3.19Å
587	V	43.3	Very low	59.6	Low	131 Å²	131	99.2 Å²	99.2	79%	0.794	50%	0.496	S	S	*	.			trans	-66.1	85.4	169.5	-177.2	0	0	0	0	108.4	E585 H589	E585-V587 VanDerWaalsContact C-N 3.32Å; E585-V587 PolarHBondContact O-N 2.89Å; E585-V587 VanDerWaalsContact O-N 3.12Å; V587-H589 PolarHBondContact O-N 2.75Å; V587-H589 VanDerWaalsContact O-N 3.09Å
588	I	51.7	Low	61.9	Low	131 Å²	131	95 Å²	95	67%	0.672	48%	0.476	S	S	*	.			trans	-65.7	107.3	165.4	-60.7	176.7	0	0	0	105.4	T586 E590	T586-I588 PolarHBondContact O-N 3.19Å; I588-E590 PolarHBondContact O-N 2.92Å
589	H	58	Low	64.1	Low	139 Å²	139	96 Å²	96	64%	0.644	49%	0.488	S	S	*	.			trans	-69	82.8	175.4	-176.2	-72.9	0	0	0	109	V587 P591 E596	V587-H589 PolarHBondContact O-N 2.75Å; V587-H589 VanDerWaalsContact O-N 3.09Å; H589-P591 WeakPolarHBondContact O-CD 3.32Å; H589-E596 IonicContact CE1-OE1 2.9Å; H589-E596 PolarHBondContact CE1-OE1 2.79Å
590	E	69.2	Low	66.8	Low	81 Å²	81	87.1 Å²	87.1	38%	0.379	46%	0.455	S	S	.	.			trans	-55.5	114.6	170.4	-70.4	174.2	-176.3	0	0	107.9	Q252 R255 I588	Q252-E590 PolarHBondContact NE2-OE2 3.35Å; R255-E590 IonicContact CZ-OE1 2.66Å; R255-E590 IonicContact NH1-OE1 2.9Å; R255-E590 IonicContact NH1-OE2 2.63Å; R255-E590 IonicContact NH2-OE1 3.72Å; R255-E590 PolarHBondContact NH2-OE1 3.23Å; R255-E590 IonicContact NH2-OE2 3.18Å; I588-E590 PolarHBondContact O-N 2.92Å
591	P	79.4	Confident	69.3	Low	64 Å²	64	86 Å²	86	42%	0.416	45%	0.454	S	S	.	.			trans	-63.2	139.7	-169.6	22.6	-33.2	0	0	0	112.4	H589 A593 E596 C598	H589-P591 WeakPolarHBondContact O-CD 3.32Å; P591-A593 PolarHBondContact O-N 2.85Å; P591-E596 VanDerWaalsContact CA-OE1 3.28Å; P591-E596 WeakPolarHBondContact CA-OE1 3.42Å; P591-E596 HydrophobicContact CB-CG 3.63Å; P591-C598 HydrophobicContact CB-CB 4.04Å; P591-C598 HydrophobicContact CG-CB 3.6Å
592	D	85.7	Confident	71.9	Confident	17 Å²	17	82.8 Å²	82.8	9%	0.091	43%	0.431	C	S	.	.			trans	-77.3	95	177.9	-171.5	-19.6	0	0	0	110.2	R203 S594 K595 E596	R203-D592 IonicContact CZ-OD1 2.57Å; R203-D592 IonicContact CZ-OD2 2.62Å; R203-D592 IonicContact NE-OD1 3.11Å; R203-D592 IonicContact NH1-OD1 3.86Å; R203-D592 PolarHBondContact NH1-OD1 3.04Å; R203-D592 VanDerWaalsContact NH1-OD1 3.12Å; R203-D592 IonicContact NH1-OD2 2.72Å; R203-D592 PolarHBondContact NH1-OD2 3.45Å; R203-D592 IonicContact NH2-OD1 3.06Å; R203-D592 PolarHBondContact NH2-OD1 3.16Å; R203-D592 VanDerWaalsContact NH2-OD1 3.09Å; D592-S594 PolarHBondContact O-N 3.4Å; D592-S594 WeakPolarHBondContact OD1-CB 3.16Å; D592-S594 PolarHBondContact OD1-N 3.19Å; D592-S594 PolarHBondContact OD1-OG 2.89Å; D592-S594 PolarHBondContact OD2-OG 3.06Å; D592-K595 HydrophobicContact CB-CB 4.3Å; D592-K595 HydrophobicContact CB-CD 4.14Å; D592-K595 HydrophobicContact CB-CG 4.36Å; D592-K595 WeakPolarHBondContact O-CA 3.24Å; D592-K595 PolarHBondContact O-N 3.13Å; D592-K595 WeakPolarHBondContact OD2-CD 3.33Å; D592-K595 WeakPolarHBondContact OD2-CE 3.25Å; D592-K595 IonicContact OD2-NZ 2.82Å; D592-K595 PolarHBondContact OD2-NZ 3.34Å; D592-E596 PolarHBondContact N-OE1 2.9Å; D592-E596 PolarHBondContact O-N 2.91Å
593	A	88	Confident	74.6	Confident	11 Å²	11	77.7 Å²	77.7	9%	0.091	40%	0.404	C	S	.	.	T	Hydrogen-bonded Turn	trans	-51.3	-15.2	176.7	0	0	0	0	0	115.8	L200 N213 P591 C598 I600	L200-A593 HydrophobicContact CD1-CB 4.35Å; L200-A593 HydrophobicContact CD2-CB 4.39Å; N213-A593 PolarHBondContact ND2-O 3.21Å; P591-A593 PolarHBondContact O-N 2.85Å; A593-C598 WeakPolarHBondContact CB-SG 3.37Å; A593-I600 HydrophobicContact CB-CD1 4.06Å
594	S	88.2	Confident	77.1	Confident	5 Å²	5	72.1 Å²	72.1	4%	0.035	38%	0.375	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.9	-4.5	173.8	73.2	0	0	0	0	114.4	R203 S204 D592	R203-S594 WeakPolarHBondContact CG-OG 3.38Å; S204-S594 WeakPolarHBondContact CB-O 3.5Å; D592-S594 PolarHBondContact O-N 3.4Å; D592-S594 WeakPolarHBondContact OD1-CB 3.16Å; D592-S594 PolarHBondContact OD1-N 3.19Å; D592-S594 PolarHBondContact OD1-OG 2.89Å; D592-S594 PolarHBondContact OD2-OG 3.06Å
595	K	88.6	Confident	79.5	Confident	130 Å²	130	66.2 Å²	66.2	57%	0.565	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-133.2	-36.3	-175.5	-59.4	174.2	-171.3	137.3	0	113.7	P210 D592	P210-K595 WeakPolarHBondContact CG-O 3.31Å; D592-K595 HydrophobicContact CB-CB 4.3Å; D592-K595 HydrophobicContact CB-CD 4.14Å; D592-K595 HydrophobicContact CB-CG 4.36Å; D592-K595 WeakPolarHBondContact O-CA 3.24Å; D592-K595 PolarHBondContact O-N 3.13Å; D592-K595 WeakPolarHBondContact OD2-CD 3.33Å; D592-K595 WeakPolarHBondContact OD2-CE 3.25Å; D592-K595 IonicContact OD2-NZ 2.82Å; D592-K595 PolarHBondContact OD2-NZ 3.34Å
596	E	90.6	Very high	82.2	Confident	69 Å²	69	63.8 Å²	63.8	32%	0.322	34%	0.341	S	S	.	.	S	Bend	trans	-131.2	151.3	-174.3	73.3	-162.3	124.9	0	0	113.3	N213 H589 P591 D592	N213-E596 PolarHBondContact ND2-O 2.81Å; H589-E596 IonicContact CE1-OE1 2.9Å; H589-E596 PolarHBondContact CE1-OE1 2.79Å; P591-E596 VanDerWaalsContact CA-OE1 3.28Å; P591-E596 WeakPolarHBondContact CA-OE1 3.42Å; P591-E596 HydrophobicContact CB-CG 3.63Å; D592-E596 PolarHBondContact N-OE1 2.9Å; D592-E596 PolarHBondContact O-N 2.91Å
597	P	90.5	Very high	85	Confident	78 Å²	78	58.9 Å²	58.9	51%	0.506	31%	0.311	S	S	.	.			trans	-61.9	134.7	175.5	-25.8	36.5	0	0	0	113.2	P210 E212 N213	P210-P597 HydrophobicContact CB-CG 4.21Å; E212-P597 HydrophobicContact CB-CB 3.94Å; E212-P597 HydrophobicContact CB-CG 4.3Å; E212-P597 HydrophobicContact CG-CB 4.15Å; E212-P597 HydrophobicContact CG-CG 4.21Å; N213-P597 WeakPolarHBondContact OD1-CA 3.37Å
598	C	91.3	Very high	87.3	Confident	29 Å²	29	53.6 Å²	53.6	20%	0.196	28%	0.284	C	S	.	.			trans	-149.7	159.3	-178.9	62.2	0	0	0	0	112.4	N213 P591 A593 I600	N213-C598 PolarHBondContact OD1-N 3.28Å; N213-C598 PolarHBondContact OD1-O 3.44Å; P591-C598 HydrophobicContact CB-CB 4.04Å; P591-C598 HydrophobicContact CG-CB 3.6Å; A593-C598 WeakPolarHBondContact CB-SG 3.37Å; C598-I600 VanDerWaalsContact C-N 3.32Å; C598-I600 PolarHBondContact O-N 3.42Å
599	D	88.8	Confident	89.3	Confident	165 Å²	165	51.9 Å²	51.9	88%	0.882	28%	0.276	S	S	*	.			trans	-75.6	85.5	170.2	-167.9	18.3	0	0	0	110.3
600	I	93.2	Very high	91.2	Very high	8 Å²	8	45.3 Å²	45.3	4%	0.041	25%	0.246	C	C	.	.			trans	-95.3	115.9	-179.5	-176.1	164.6	0	0	0	110.8	L200 N213 S216 I217 Q220 V246 A593 C598 V602	L200-I600 HydrophobicContact CD1-CD1 3.95Å; N213-I600 HydrophobicContact CB-CG2 4.2Å; S216-I600 PolarHBondContact OG-O 2.95Å; I217-I600 HydrophobicContact CD1-CD1 4.29Å; I217-I600 HydrophobicContact CG1-CD1 4.47Å; I217-I600 HydrophobicContact CG1-CG2 4.18Å; Q220-I600 PolarHBondContact NE2-O 2.7Å; V246-I600 HydrophobicContact CG1-CD1 3.92Å; V246-I600 HydrophobicContact CG1-CG1 3.88Å; V246-I600 HydrophobicContact CG2-CD1 4.06Å; A593-I600 HydrophobicContact CB-CD1 4.06Å; C598-I600 VanDerWaalsContact C-N 3.32Å; C598-I600 PolarHBondContact O-N 3.42Å; I600-V602 HydrophobicContact CG1-CG1 4.18Å
601	E	96.5	Very high	92.6	Very high	80 Å²	80	41.5 Å²	41.5	37%	0.374	23%	0.228	S	C	.	.			trans	-90.5	138.5	167.8	-177.7	172.5	-123.3	0	0	111	K168 C247	K168-E601 IonicContact NZ-OE1 2.73Å; K168-E601 PolarHBondContact NZ-OE1 3.44Å; C247-E601 HydrophobicContact CB-CB 3.94Å; C247-E601 HydrophobicContact CB-CG 4.11Å; C247-E601 PolarHBondContact N-O 3.49Å; C247-E601 VanDerWaalsContact SG-CG 3.57Å; C247-E601 PolarHBondContact SG-OE2 3.42Å
602	V	98.2	Very high	93.5	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	158.5	176.5	-63.3	0	0	0	0	112.8	L197 I217 Q220 I244 L245 V246 I600	L197-V602 HydrophobicContact CD2-CG1 4.22Å; I217-V602 HydrophobicContact CB-CG2 4.5Å; I217-V602 HydrophobicContact CG1-CG1 4Å; I217-V602 HydrophobicContact CG2-CG2 4.37Å; Q220-V602 HydrophobicContact CB-CG2 3.6Å; Q220-V602 HydrophobicContact CG-CG2 4.47Å; Q220-V602 VanDerWaalsContact OE1-N 3.12Å; I244-V602 HydrophobicContact CG2-CB 3.8Å; I244-V602 HydrophobicContact CG2-CG1 4.26Å; I244-V602 HydrophobicContact CG2-CG2 4.12Å; L245-V602 CarbonylContact O-C 3.6Å; L245-V602 VanDerWaalsContact O-CA 3.25Å; L245-V602 WeakPolarHBondContact O-CA 3.32Å; V246-V602 HydrophobicContact CG2-CG1 4.28Å; I600-V602 HydrophobicContact CG1-CG1 4.18Å
603	K	98.6	Very high	94	Very high	16 Å²	16	41.9 Å²	41.9	7%	0.07	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	147	173.1	-53.8	-167.3	-174.2	-161.2	0	112.4	K167 K168 E191 L193 L245 C247	K167-K603 VanDerWaalsContact O-CD 3.29Å; K167-K603 WeakPolarHBondContact O-CD 3.39Å; K167-K603 WeakPolarHBondContact O-CE 3.43Å; K167-K603 PolarHBondContact O-NZ 2.87Å; K168-K603 CarbonylContact O-C 3.22Å; K168-K603 WeakPolarHBondContact O-CA 3.29Å; E191-K603 WeakPolarHBondContact OE1-CD 3.33Å; E191-K603 IonicContact OE1-NZ 2.72Å; E191-K603 PolarHBondContact OE1-NZ 3.26Å; E191-K603 IonicContact OE2-NZ 3.66Å; E191-K603 PolarHBondContact OE2-NZ 3.35Å; L193-K603 HydrophobicContact CD1-CB 4.35Å; L193-K603 HydrophobicContact CD1-CD 4.3Å; L193-K603 HydrophobicContact CD2-CD 4.15Å; L245-K603 PolarHBondContact N-O 2.72Å; L245-K603 PolarHBondContact O-N 2.93Å; C247-K603 VanDerWaalsContact SG-CE 3.59Å
604	I	98.7	Very high	94.4	Very high	1 Å²	1	48.9 Å²	48.9	1%	0.005	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	133.9	167.3	-54	176.7	0	0	0	109.1	K168 V170 T221 L225 L228 H236 I239 I244	K168-I604 PolarHBondContact O-N 3.08Å; V170-I604 PolarHBondContact N-O 2.98Å; T221-I604 HydrophobicContact CG2-CD1 4.44Å; T221-I604 HydrophobicContact CG2-CG1 4.45Å; L225-I604 HydrophobicContact CD2-CD1 3.99Å; L225-I604 HydrophobicContact CG-CD1 3.89Å; L228-I604 HydrophobicContact CD1-CD1 4.13Å; L228-I604 HydrophobicContact CD1-CG2 4.49Å; H236-I604 VanDerWaalsContact CD2-CG2 3.42Å; H236-I604 WeakPolarHBondContact CD2-CG2 3.49Å; I239-I604 HydrophobicContact CD1-CD1 4.35Å; I239-I604 HydrophobicContact CD1-CG2 3.98Å; I244-I604 HydrophobicContact CD1-CB 4.33Å; I244-I604 HydrophobicContact CD1-CG1 3.9Å; I244-I604 HydrophobicContact CD1-CG2 4.48Å
605	A	96.9	Very high	94.7	Very high	8 Å²	8	56.1 Å²	56.1	7%	0.066	28%	0.277	C	S	.	.			trans	-135.8	175.9	178.4	0	0	0	0	0	112	V170 H236 N243 L245	V170-A605 HydrophobicContact CB-CB 4.29Å; V170-A605 HydrophobicContact CG1-CB 4.09Å; H236-A605 PolarHBondContact CE1-O 2.81Å; H236-A605 PolarHBondContact NE2-O 2.77Å; N243-A605 PolarHBondContact O-N 3.29Å; L245-A605 HydrophobicContact CD1-CB 3.6Å; L245-A605 HydrophobicContact CG-CB 3.79Å
606	D	94.2	Very high	95	Very high	72 Å²	72	52.3 Å²	52.3	39%	0.385	26%	0.261	S	S	.	.			trans	51.7	83.3	-176	-151.8	-6.9	0	0	0	115	K134 H236 G608	K134-D606 IonicContact NZ-OD1 2.7Å; H236-D606 PolarHBondContact CE1-O 2.91Å; H236-D606 PolarHBondContact NE2-O 2.78Å; D606-G608 PolarHBondContact O-N 3.33Å; D606-G608 PolarHBondContact OD1-N 3.17Å
607	L	95.6	Very high	95.1	Very high	1 Å²	1	53.4 Å²	53.4	1%	0.005	27%	0.265	C	S	.	.			trans	-84.3	14.8	173.5	-79.7	78.9	0	0	0	112.4	L152 L153 V156 L228 I234 N609 A610	L152-L607 HydrophobicContact CB-CD2 4.19Å; L153-L607 HydrophobicContact CD2-CD1 4.16Å; V156-L607 HydrophobicContact CG2-CD2 3.86Å; L228-L607 HydrophobicContact CD2-CD2 4.48Å; I234-L607 HydrophobicContact CG2-CD2 4.44Å; L607-N609 PolarHBondContact O-N 3.4Å; L607-N609 VanDerWaalsContact O-N 3.17Å; L607-A610 HydrophobicContact CB-CB 3.9Å; L607-A610 HydrophobicContact CD2-CB 4.37Å; L607-A610 HydrophobicContact CG-CB 4.05Å; L607-A610 WeakPolarHBondContact O-CB 3.47Å; L607-A610 PolarHBondContact O-N 3.1Å
608	G	92.1	Very high	95.3	Very high	21 Å²	21	51.9 Å²	51.9	22%	0.216	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-22.7	-177.9	0	0	0	0	0	115.1	D606	D606-G608 PolarHBondContact O-N 3.33Å; D606-G608 PolarHBondContact OD1-N 3.17Å
609	N	94.2	Very high	95.4	Very high	94 Å²	94	54.6 Å²	54.6	50%	0.503	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105	-4	174.2	-64	-34.3	0	0	0	113.2	T237 D238 L607	T237-N609 PolarHBondContact OG1-O 3.49Å; D238-N609 HydrophobicContact CB-CB 4.25Å; D238-N609 PolarHBondContact OD2-ND2 3.2Å; L607-N609 PolarHBondContact O-N 3.4Å; L607-N609 VanDerWaalsContact O-N 3.17Å
610	A	97.4	Very high	95.8	Very high	1 Å²	1	49.8 Å²	49.8	1%	0.008	24%	0.238	C	C	.	.			trans	-71.5	152.2	-174.7	0	0	0	0	0	111.3	L152 I234 I235 H236 L607 F617	L152-A610 HydrophobicContact CD1-CB 4.22Å; L152-A610 WeakPolarHBondContact CD1-O 3.42Å; I234-A610 HydrophobicContact CG2-CB 3.99Å; I235-A610 VanDerWaalsContact O-CA 3.28Å; I235-A610 WeakPolarHBondContact O-CA 3.44Å; I235-A610 VanDerWaalsContact O-CB 3.3Å; I235-A610 WeakPolarHBondContact O-CB 3.3Å; H236-A610 WeakPolarHBondContact O-CA 3.33Å; L607-A610 HydrophobicContact CB-CB 3.9Å; L607-A610 HydrophobicContact CD2-CB 4.37Å; L607-A610 HydrophobicContact CG-CB 4.05Å; L607-A610 WeakPolarHBondContact O-CB 3.47Å; L607-A610 PolarHBondContact O-N 3.1Å; A610-F617 WeakPolarHBondContact O-CD2 3.5Å; A610-F617 VanDerWaalsContact O-CE2 3.27Å; A610-F617 WeakPolarHBondContact O-CE2 3.15Å
611	C	97.5	Very high	96	Very high	1 Å²	1	49.8 Å²	49.8	1%	0.007	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	172.6	179.4	74	0	0	0	0	111.5	I234 I235 F617 Y637	I234-C611 CarbonylContact C-O 3.53Å; I234-C611 WeakPolarHBondContact CA-O 3.41Å; I235-C611 PolarHBondContact N-O 2.72Å; I235-C611 PolarHBondContact O-N 3.02Å; C611-F617 HydrophobicContact CB-CD2 3.76Å; C611-F617 HydrophobicContact CB-CE2 4.15Å; C611-F617 HydrophobicContact CB-CG 4.25Å; C611-Y637 PolarHBondContact SG-OH 3.11Å
612	W	97.9	Very high	96	Very high	39 Å²	39	46.4 Å²	46.4	15%	0.148	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	147.1	176.8	-53.2	93.2	0	0	0	110.6	L152 C155 C232 H233 I234 Y614 R615	L152-W612 HydrophobicContact CD2-CD2 4.01Å; L152-W612 HydrophobicContact CD2-CE3 4.44Å; L152-W612 HydrophobicContact CD2-CH2 4.21Å; L152-W612 HydrophobicContact CD2-CZ2 3.71Å; L152-W612 HydrophobicContact CG-CZ2 4.31Å; C155-W612 HydrophobicContact CB-CH2 3.65Å; C155-W612 HydrophobicContact CB-CZ3 4.11Å; C232-W612 WeakPolarHBondContact O-CZ3 3.32Å; H233-W612 CarbonylContact O-C 3.57Å; H233-W612 WeakPolarHBondContact O-CA 3.42Å; I234-W612 HydrophobicContact CD1-CE3 4.49Å; I234-W612 HydrophobicContact CD1-CH2 4.38Å; I234-W612 HydrophobicContact CD1-CZ3 4.06Å; I234-W612 HydrophobicContact CG1-CD2 4.48Å; I234-W612 HydrophobicContact CG1-CE3 3.77Å; I234-W612 HydrophobicContact CG1-CZ3 3.8Å; W612-Y614 HydrophobicContact CB-CD1 3.97Å; W612-Y614 HydrophobicContact CB-CD2 4.29Å; W612-Y614 HydrophobicContact CB-CE1 3.7Å; W612-Y614 HydrophobicContact CB-CE2 4.04Å; W612-Y614 HydrophobicContact CB-CG 4.26Å; W612-Y614 HydrophobicContact CD2-CE1 4.17Å; W612-Y614 AromaticContact CD2-CZ 3.84Å; W612-Y614 AromaticContact CE3-CE1 3.89Å; W612-Y614 HydrophobicContact CE3-CE1 3.89Å; W612-Y614 AromaticContact CE3-CZ 3.9Å; W612-Y614 HydrophobicContact CG-CE1 4.14Å; W612-Y614 HydrophobicContact CG-CE2 4.23Å; W612-Y614 AromaticContact CG-CZ 3.79Å; W612-Y614 PolarHBondContact O-N 3.37Å; W612-R615 HydrophobicContact CB-CB 4.14Å; W612-R615 PolarHBondContact N-O 2.89Å; W612-R615 CarbonylContact O-C 3.26Å; W612-R615 VanDerWaalsContact O-C 3.26Å; W612-R615 PolarHBondContact O-N 3.44Å
613	T	97	Very high	96	Very high	50 Å²	50	48.3 Å²	48.3	31%	0.307	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-9.6	175.3	61.5	0	0	0	0	113.9	H233 I235 P639	H233-T613 PolarHBondContact O-N 3.07Å; H233-T613 PolarHBondContact O-OG1 3.41Å; I235-T613 HydrophobicContact CD1-CG2 4.21Å; I235-T613 HydrophobicContact CG1-CG2 3.68Å; T613-P639 HydrophobicContact CG2-CG 3.7Å
614	Y	95.6	Very high	95.9	Very high	158 Å²	158	50 Å²	50	62%	0.62	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-117.2	2	176.9	59.6	-93	0	0	0	112.6	H233 W612	H233-Y614 HydrophobicContact CB-CD1 4.46Å; H233-Y614 HydrophobicContact CB-CE1 4.29Å; W612-Y614 HydrophobicContact CB-CD1 3.97Å; W612-Y614 HydrophobicContact CB-CD2 4.29Å; W612-Y614 HydrophobicContact CB-CE1 3.7Å; W612-Y614 HydrophobicContact CB-CE2 4.04Å; W612-Y614 HydrophobicContact CB-CG 4.26Å; W612-Y614 HydrophobicContact CD2-CE1 4.17Å; W612-Y614 AromaticContact CD2-CZ 3.84Å; W612-Y614 AromaticContact CE3-CE1 3.89Å; W612-Y614 HydrophobicContact CE3-CE1 3.89Å; W612-Y614 AromaticContact CE3-CZ 3.9Å; W612-Y614 HydrophobicContact CG-CE1 4.14Å; W612-Y614 HydrophobicContact CG-CE2 4.23Å; W612-Y614 AromaticContact CG-CZ 3.79Å; W612-Y614 PolarHBondContact O-N 3.37Å
615	R	94.9	Very high	95.9	Very high	158 Å²	158	52 Å²	52	60%	0.596	25%	0.25	S	C	*	.	B	Isolated β-bridge	trans	-157.9	96.9	179.3	-176.4	180	173.5	-178	-3.2	110.8	W612	W612-R615 HydrophobicContact CB-CB 4.14Å; W612-R615 PolarHBondContact N-O 2.89Å; W612-R615 CarbonylContact O-C 3.26Å; W612-R615 VanDerWaalsContact O-C 3.26Å; W612-R615 PolarHBondContact O-N 3.44Å
616	H	95.1	Very high	96	Very high	50 Å²	50	51.9 Å²	51.9	23%	0.231	25%	0.247	C	C	.	.			trans	-72.3	157.9	170.2	-59.9	174.2	0	0	0	111.3	E619 Y637	H616-E619 IonicContact ND1-OE1 2.76Å; H616-Y637 HydrophobicContact CB-CE1 4.25Å; H616-Y637 WeakPolarHBondContact CB-OH 3.48Å; H616-Y637 AromaticContact CD2-CE2 3.92Å; H616-Y637 AromaticContact CD2-CZ 3.65Å; H616-Y637 AromaticContact CE1-CD1 3.84Å; H616-Y637 AromaticContact CE1-CE1 3.63Å; H616-Y637 AromaticContact CE1-CE2 3.82Å; H616-Y637 AromaticContact CE1-CZ 3.62Å; H616-Y637 PolarHBondContact CE1-O 3.22Å; H616-Y637 AromaticContact CG-CE1 3.73Å; H616-Y637 AromaticContact CG-CZ 3.44Å; H616-Y637 VanDerWaalsContact CG-CZ 3.44Å; H616-Y637 VanDerWaalsContact CG-OH 3.23Å; H616-Y637 AromaticContact ND1-CD1 3.82Å; H616-Y637 AromaticContact ND1-CE1 3.25Å; H616-Y637 VanDerWaalsContact ND1-CE1 3.25Å; H616-Y637 WeakPolarHBondContact ND1-CE1 3.44Å; H616-Y637 AromaticContact ND1-CZ 3.42Å; H616-Y637 AromaticContact NE2-CE2 3.72Å; H616-Y637 AromaticContact NE2-CZ 3.79Å
617	F	93	Very high	96.2	Very high	92 Å²	92	50.1 Å²	50.1	40%	0.404	24%	0.236	S	C	.	.	S	Bend	trans	-111.3	-26.8	175.6	-62.9	-42.4	0	0	0	113.1	L152 A610 C611	L152-F617 HydrophobicContact CD1-CE2 4.34Å; A610-F617 WeakPolarHBondContact O-CD2 3.5Å; A610-F617 VanDerWaalsContact O-CE2 3.27Å; A610-F617 WeakPolarHBondContact O-CE2 3.15Å; C611-F617 HydrophobicContact CB-CD2 3.76Å; C611-F617 HydrophobicContact CB-CE2 4.15Å; C611-F617 HydrophobicContact CB-CG 4.25Å
618	T	94.1	Very high	96.3	Very high	45 Å²	45	50.1 Å²	50.1	28%	0.276	24%	0.235	S	C	.	.			trans	-158.4	154.9	179.2	176.8	0	0	0	0	108.6	D620 I621 Y637	T618-D620 WeakPolarHBondContact CG2-O 3.28Å; T618-D620 PolarHBondContact OG1-N 3.07Å; T618-D620 VanDerWaalsContact OG1-N 3.14Å; T618-I621 HydrophobicContact CG2-CG2 3.93Å; T618-Y637 PolarHBondContact O-OH 3.29Å
619	E	94.7	Very high	96.7	Very high	87 Å²	87	49.1 Å²	49.1	41%	0.407	23%	0.225	S	C	.	.	S	Bend	trans	-95.8	-13.9	171	-56.5	-60.9	137.6	0	0	112.2	H616 I621 Y637 F1137	H616-E619 IonicContact ND1-OE1 2.76Å; E619-I621 PolarHBondContact O-N 2.62Å; E619-Y637 WeakPolarHBondContact OE2-CD1 3.4Å; E619-F1137 HydrophobicContact CB-CE2 4.17Å; E619-F1137 HydrophobicContact CB-CZ 3.94Å; E619-F1137 HydrophobicContact CG-CZ 4.34Å
620	D	95.8	Very high	96.9	Very high	63 Å²	63	44.9 Å²	44.9	34%	0.337	20%	0.202	S	C	.	.			trans	-85.2	93.5	168.1	-175.3	33.8	0	0	0	109.1	T618 R627 F1137	T618-D620 WeakPolarHBondContact CG2-O 3.28Å; T618-D620 PolarHBondContact OG1-N 3.07Å; T618-D620 VanDerWaalsContact OG1-N 3.14Å; D620-R627 IonicContact OD1-CZ 3.62Å; D620-R627 IonicContact OD1-NH1 2.75Å; D620-R627 PolarHBondContact OD1-NH1 2.86Å; D620-R627 IonicContact OD1-NH2 3.29Å; D620-R627 PolarHBondContact OD1-NH2 3.32Å; D620-F1137 HydrophobicContact CB-CD2 4.02Å; D620-F1137 HydrophobicContact CB-CE2 4.13Å
621	I	97.2	Very high	96.9	Very high	8 Å²	8	45.4 Å²	45.4	4%	0.041	21%	0.206	C	C	.	.			trans	-122.4	172	179.9	62.4	161.1	0	0	0	112	T237 T618 E619 R627 V631 Y637	T237-I621 HydrophobicContact CG2-CG2 4.37Å; T618-I621 HydrophobicContact CG2-CG2 3.93Å; E619-I621 PolarHBondContact O-N 2.62Å; I621-R627 PolarHBondContact O-NE 2.73Å; I621-R627 PolarHBondContact O-NH2 2.89Å; I621-V631 HydrophobicContact CD1-CG2 3.85Å; I621-V631 HydrophobicContact CG1-CG1 3.86Å; I621-V631 HydrophobicContact CG1-CG2 3.76Å; I621-Y637 HydrophobicContact CD1-CD1 3.97Å; I621-Y637 HydrophobicContact CD1-CD2 3.49Å; I621-Y637 VanDerWaalsContact CD1-CD2 3.49Å; I621-Y637 HydrophobicContact CD1-CE1 4.11Å; I621-Y637 HydrophobicContact CD1-CE2 3.67Å; I621-Y637 HydrophobicContact CD1-CG 3.66Å; I621-Y637 HydrophobicContact CG2-CE1 4.39Å
622	Q	97.9	Very high	96.9	Very high	9 Å²	9	45.5 Å²	45.5	4%	0.042	21%	0.206	C	C	.	.	S	Bend	trans	62.1	130.8	178.9	-57.6	166.7	-55.2	0	0	115.4	T237 Y626 R627 A641 S645	T237-Q622 WeakPolarHBondContact O-CA 3.31Å; T237-Q622 WeakPolarHBondContact O-CG 3.42Å; T237-Q622 PolarHBondContact O-N 2.94Å; Q622-Y626 PolarHBondContact NE2-O 2.07Å; Q622-R627 HydrophobicContact CB-CB 3.98Å; Q622-R627 HydrophobicContact CB-CG 4.2Å; Q622-R627 PolarHBondContact O-NE 2.89Å; Q622-R627 VanDerWaalsContact O-NE 3.12Å; Q622-R627 PolarHBondContact O-NH2 3.29Å; Q622-A641 PolarHBondContact NE2-O 3.09Å; Q622-S645 PolarHBondContact NE2-OG 2.65Å
623	T	97	Very high	96.9	Very high	40 Å²	40	43.7 Å²	43.7	25%	0.245	20%	0.199	C	C	.	.			trans	-57.3	136.8	165.7	-63.6	0	0	0	0	110.8	D238 K240 Q625 Y626 R627	D238-T623 WeakPolarHBondContact OD1-CB 3.38Å; D238-T623 PolarHBondContact OD1-N 2.77Å; D238-T623 VanDerWaalsContact OD1-N 3.1Å; D238-T623 PolarHBondContact OD1-OG1 2.78Å; K240-T623 HydrophobicContact CD-CG2 4.26Å; K240-T623 WeakPolarHBondContact CD-OG1 3.29Å; K240-T623 PolarHBondContact NZ-OG1 2.76Å; T623-Q625 VanDerWaalsContact C-N 3.35Å; T623-Q625 PolarHBondContact O-N 2.64Å; T623-Y626 HydrophobicContact CG2-CD2 3.92Å; T623-Y626 HydrophobicContact CG2-CE2 3.81Å; T623-Y626 PolarHBondContact O-N 3.04Å; T623-R627 PolarHBondContact O-N 3.42Å
624	R	97.8	Very high	96.9	Very high	51 Å²	51	42.5 Å²	42.5	19%	0.192	20%	0.197	C	C	.	.	G	3₁₀ helix	trans	-43.3	-47.5	-164.5	171	56.7	65	156.3	-8.9	115.7	Y626 R627 P662 R670 D671 H674	R624-Y626 PolarHBondContact O-N 3.44Å; R624-R627 WeakPolarHBondContact O-CB 3.47Å; R624-R627 PolarHBondContact O-N 3.49Å; R624-P662 HydrophobicContact CG-CG 4.18Å; R624-R670 PolarHBondContact NH1-O 2.82Å; R624-R670 VanDerWaalsContact NH1-O 3.15Å; R624-D671 IonicContact CZ-OD1 2.71Å; R624-D671 IonicContact CZ-OD2 3.12Å; R624-D671 IonicContact NH1-OD1 3.89Å; R624-D671 PolarHBondContact NH1-OD1 3.45Å; R624-D671 IonicContact NH1-OD2 2.65Å; R624-D671 PolarHBondContact NH1-OD2 3.02Å; R624-D671 VanDerWaalsContact NH1-OD2 3.1Å; R624-D671 VanDerWaalsContact NH2-CG 3.31Å; R624-D671 IonicContact NH2-OD1 3.88Å; R624-D671 PolarHBondContact NH2-OD1 3.47Å; R624-D671 IonicContact NH2-OD2 3.45Å; R624-D671 PolarHBondContact NH2-OD2 2.87Å; R624-H674 PolarHBondContact O-CE1 3.41Å; R624-H674 VanDerWaalsContact O-CE1 3.22Å
625	Q	98.2	Very high	97	Very high	45 Å²	45	36.1 Å²	36.1	21%	0.21	18%	0.175	C	C	.	.	G	3₁₀ helix	trans	-73.8	-13.3	-174.5	-65.7	79.9	-2.9	0	0	114	T623 Y658	T623-Q625 VanDerWaalsContact C-N 3.35Å; T623-Q625 PolarHBondContact O-N 2.64Å; Q625-Y658 HydrophobicContact CB-CD1 3.98Å; Q625-Y658 HydrophobicContact CB-CE1 4.43Å; Q625-Y658 HydrophobicContact CB-CG 4.09Å; Q625-Y658 HydrophobicContact CG-CD1 4.02Å; Q625-Y658 HydrophobicContact CG-CD2 3.79Å; Q625-Y658 HydrophobicContact CG-CE1 4.3Å; Q625-Y658 HydrophobicContact CG-CE2 4.07Å; Q625-Y658 HydrophobicContact CG-CG 3.77Å
626	Y	98.7	Very high	97	Very high	4 Å²	4	36.7 Å²	36.7	2%	0.016	18%	0.184	C	C	.	.	G	3₁₀ helix	trans	-116.7	7.1	-178.3	-38.1	-90.5	0	0	0	111.8	K240 P241 Q622 T623 R624 S645 C648 E652	K240-Y626 HydrophobicContact CB-CD1 4.41Å; K240-Y626 HydrophobicContact CB-CD2 3.9Å; K240-Y626 HydrophobicContact CB-CE1 4.15Å; K240-Y626 HydrophobicContact CB-CE2 3.58Å; K240-Y626 HydrophobicContact CB-CG 4.3Å; K240-Y626 HydrophobicContact CD-CE2 4.32Å; P241-Y626 VanDerWaalsContact CD-OH 3.22Å; P241-Y626 WeakPolarHBondContact CD-OH 3.13Å; Q622-Y626 PolarHBondContact NE2-O 2.07Å; T623-Y626 HydrophobicContact CG2-CD2 3.92Å; T623-Y626 HydrophobicContact CG2-CE2 3.81Å; T623-Y626 PolarHBondContact O-N 3.04Å; R624-Y626 PolarHBondContact O-N 3.44Å; Y626-S645 WeakPolarHBondContact O-CA 3.36Å; Y626-S645 PolarHBondContact O-OG 3.46Å; Y626-C648 HydrophobicContact CD1-CB 3.9Å; Y626-E652 WeakPolarHBondContact CE1-OE2 3.29Å; Y626-E652 PolarHBondContact OH-OE2 3.48Å; Y626-E652 VanDerWaalsContact OH-OE2 3.06Å
627	R	98.7	Very high	97.1	Very high	36 Å²	36	34.9 Å²	34.9	14%	0.136	18%	0.176	C	C	.	.			trans	-74.6	132.3	-175.6	-174.1	173.1	-70.2	-157.1	-7.7	111.3	D620 I621 Q622 T623 R624 V631 L632 W644	D620-R627 IonicContact OD1-CZ 3.62Å; D620-R627 IonicContact OD1-NH1 2.75Å; D620-R627 PolarHBondContact OD1-NH1 2.86Å; D620-R627 IonicContact OD1-NH2 3.29Å; D620-R627 PolarHBondContact OD1-NH2 3.32Å; I621-R627 PolarHBondContact O-NE 2.73Å; I621-R627 PolarHBondContact O-NH2 2.89Å; Q622-R627 HydrophobicContact CB-CB 3.98Å; Q622-R627 HydrophobicContact CB-CG 4.2Å; Q622-R627 PolarHBondContact O-NE 2.89Å; Q622-R627 VanDerWaalsContact O-NE 3.12Å; Q622-R627 PolarHBondContact O-NH2 3.29Å; T623-R627 PolarHBondContact O-N 3.42Å; R624-R627 WeakPolarHBondContact O-CB 3.47Å; R624-R627 PolarHBondContact O-N 3.49Å; R627-V631 HydrophobicContact CG-CB 3.96Å; R627-V631 HydrophobicContact CG-CG1 3.87Å; R627-L632 HydrophobicContact CB-CD2 4.44Å; R627-L632 HydrophobicContact CG-CD2 3.92Å; R627-L632 HydrophobicContact CG-CG 4.26Å; R627-W644 PolarHBondContact O-NE1 3.04Å
628	A	98.6	Very high	97.3	Very high	0 Å²	0	31 Å²	31	0%	0	16%	0.162	C	C	.	.			trans	-81.3	154.5	-174.8	0	0	0	0	0	112.8	E630 V631 L632 A641 W644	A628-E630 VanDerWaalsContact C-N 3.3Å; A628-E630 HydrophobicContact CB-CG 4.4Å; A628-E630 WeakPolarHBondContact CB-OE1 3.08Å; A628-E630 PolarHBondContact O-N 3.29Å; A628-V631 PolarHBondContact O-N 2.73Å; A628-V631 VanDerWaalsContact O-N 3.08Å; A628-L632 PolarHBondContact O-N 3.42Å; A628-L632 VanDerWaalsContact O-N 3.16Å; A628-A641 HydrophobicContact CB-CB 4.49Å; A628-W644 HydrophobicContact CB-CB 3.85Å; A628-W644 HydrophobicContact CB-CD2 4.11Å; A628-W644 HydrophobicContact CB-CG 3.68Å
629	L	98.4	Very high	97.5	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-52	-46.9	-179.1	172.2	60	0	0	0	112.4	V631 L632 I633 W644 L675 I685 I689 Y745	L629-V631 VanDerWaalsContact C-N 3.26Å; L629-V631 PolarHBondContact O-N 3.25Å; L629-L632 PolarHBondContact O-N 3.1Å; L629-L632 VanDerWaalsContact O-N 3.16Å; L629-I633 HydrophobicContact CD1-CG2 4Å; L629-I633 WeakPolarHBondContact O-CG1 3.33Å; L629-I633 PolarHBondContact O-N 2.86Å; L629-I633 VanDerWaalsContact O-N 3.11Å; L629-W644 HydrophobicContact CB-CH2 4.16Å; L629-W644 HydrophobicContact CB-CZ3 4.32Å; L629-L675 HydrophobicContact CD1-CD2 3.29Å; L629-I685 HydrophobicContact CD1-CD1 3.79Å; L629-I685 HydrophobicContact CD2-CD1 4.12Å; L629-I685 HydrophobicContact CD2-CG1 4.19Å; L629-I685 HydrophobicContact CD2-CG2 3.89Å; L629-I689 HydrophobicContact CD2-CG2 4.14Å; L629-Y745 HydrophobicContact CD2-CD1 3.6Å; L629-Y745 HydrophobicContact CD2-CE1 4.47Å; L629-Y745 HydrophobicContact CD2-CG 4.25Å
630	E	98.4	Very high	97.7	Very high	5 Å²	5	28 Å²	28	2%	0.023	15%	0.151	C	C	.	.	H	α-helix	trans	-58.3	-36.8	-179.3	59.4	-86.5	-157.1	0	0	112.7	A628 I633 G634 S635 P747 R750	A628-E630 VanDerWaalsContact C-N 3.3Å; A628-E630 HydrophobicContact CB-CG 4.4Å; A628-E630 WeakPolarHBondContact CB-OE1 3.08Å; A628-E630 PolarHBondContact O-N 3.29Å; E630-I633 WeakPolarHBondContact O-CG1 3.41Å; E630-G634 PolarHBondContact O-N 3.49Å; E630-S635 PolarHBondContact O-N 3.04Å; E630-P747 HydrophobicContact CB-CG 4.14Å; E630-P747 HydrophobicContact CG-CG 4.08Å; E630-R750 IonicContact OE1-CZ 2.69Å; E630-R750 IonicContact OE1-NH1 3.96Å; E630-R750 PolarHBondContact OE1-NH1 2.91Å; E630-R750 IonicContact OE1-NH2 2.71Å; E630-R750 IonicContact OE2-CZ 3.34Å; E630-R750 IonicContact OE2-NH1 3.55Å; E630-R750 PolarHBondContact OE2-NH1 3.08Å; E630-R750 IonicContact OE2-NH2 3.55Å; E630-R750 PolarHBondContact OE2-NH2 3.34Å
631	V	98.3	Very high	97.9	Very high	13 Å²	13	25 Å²	25	8%	0.079	14%	0.135	C	C	.	.	H	α-helix	trans	-73.4	-38.3	178	-177.8	0	0	0	0	111	I621 R627 A628 L629 I633 G634	I621-V631 HydrophobicContact CD1-CG2 3.85Å; I621-V631 HydrophobicContact CG1-CG1 3.86Å; I621-V631 HydrophobicContact CG1-CG2 3.76Å; R627-V631 HydrophobicContact CG-CB 3.96Å; R627-V631 HydrophobicContact CG-CG1 3.87Å; A628-V631 PolarHBondContact O-N 2.73Å; A628-V631 VanDerWaalsContact O-N 3.08Å; L629-V631 VanDerWaalsContact C-N 3.26Å; L629-V631 PolarHBondContact O-N 3.25Å; V631-I633 PolarHBondContact O-N 2.93Å; V631-G634 PolarHBondContact O-N 2.81Å
632	L	98.2	Very high	97.9	Very high	3 Å²	3	24.7 Å²	24.7	2%	0.016	13%	0.133	C	C	.	.	H	α-helix	trans	-61.7	-42.6	176.5	-61.5	170.6	0	0	0	112	R627 A628 L629 D671 H674 L675 I678 Y699	R627-L632 HydrophobicContact CB-CD2 4.44Å; R627-L632 HydrophobicContact CG-CD2 3.92Å; R627-L632 HydrophobicContact CG-CG 4.26Å; A628-L632 PolarHBondContact O-N 3.42Å; A628-L632 VanDerWaalsContact O-N 3.16Å; L629-L632 PolarHBondContact O-N 3.1Å; L629-L632 VanDerWaalsContact O-N 3.16Å; L632-D671 WeakPolarHBondContact CD2-OD1 3.46Å; L632-H674 HydrophobicContact CD1-CB 4.05Å; L632-H674 WeakPolarHBondContact CD1-ND1 3.45Å; L632-H674 HydrophobicContact CD2-CB 4.41Å; L632-H674 WeakPolarHBondContact CD2-ND1 3.31Å; L632-L675 HydrophobicContact CB-CD2 4.22Å; L632-L675 HydrophobicContact CD1-CD2 4.13Å; L632-I678 HydrophobicContact CD1-CD1 3.67Å; L632-Y699 WeakPolarHBondContact O-CE2 3.5Å
633	I	97.9	Very high	98	Very high	1 Å²	1	24.3 Å²	24.3	1%	0.005	13%	0.132	C	C	.	.	H	α-helix	trans	-84.4	-12.2	179.5	68.8	177.1	0	0	0	113.4	L629 E630 V631 L675 I689 G693 K694 Y695 F700	L629-I633 HydrophobicContact CD1-CG2 4Å; L629-I633 WeakPolarHBondContact O-CG1 3.33Å; L629-I633 PolarHBondContact O-N 2.86Å; L629-I633 VanDerWaalsContact O-N 3.11Å; E630-I633 WeakPolarHBondContact O-CG1 3.41Å; V631-I633 PolarHBondContact O-N 2.93Å; I633-L675 HydrophobicContact CG2-CD1 4.44Å; I633-L675 HydrophobicContact CG2-CD2 4.03Å; I633-I689 HydrophobicContact CD1-CG2 4.49Å; I633-I689 WeakPolarHBondContact CD1-O 3.4Å; I633-G693 CarbonylContact O-C 3.59Å; I633-G693 WeakPolarHBondContact O-CA 3.38Å; I633-K694 PolarHBondContact O-N 3.28Å; I633-K694 VanDerWaalsContact O-N 3.13Å; I633-Y695 WeakPolarHBondContact O-CB 3.4Å; I633-Y695 PolarHBondContact O-N 2.75Å; I633-F700 HydrophobicContact CG2-CE2 4.08Å
634	G	97.3	Very high	98.1	Very high	25 Å²	25	22.4 Å²	22.4	26%	0.258	12%	0.12	S	C	.	.	T	Hydrogen-bonded Turn	trans	70.3	46.9	-175.1	0	0	0	0	0	113	E630 V631 K694	E630-G634 PolarHBondContact O-N 3.49Å; V631-G634 PolarHBondContact O-N 2.81Å; G634-K694 WeakPolarHBondContact O-CB 3.44Å; G634-K694 PolarHBondContact O-N 2.9Å
635	S	96.1	Very high	98.1	Very high	23 Å²	23	20 Å²	20	16%	0.161	11%	0.111	C	C	.	.	P	Polyproline II helix	trans	-95.8	161.4	161.3	-76	0	0	0	0	110	E630 Y637 S692 G693	E630-S635 PolarHBondContact O-N 3.04Å; S635-Y637 PolarHBondContact O-N 2.98Å; S635-S692 VanDerWaalsContact OG-C 3.26Å; S635-S692 PolarHBondContact OG-O 3.11Å; S635-S692 PolarHBondContact OG-OG 2.61Å; S635-G693 VanDerWaalsContact OG-CA 3.27Å; S635-G693 WeakPolarHBondContact OG-CA 3.4Å; S635-G693 PolarHBondContact OG-N 3.23Å
636	E	95	Very high	98.2	Very high	170 Å²	170	17.9 Å²	17.9	79%	0.794	10%	0.101	S	C	*	.	P	Polyproline II helix	trans	-56.3	127.9	178.3	-175.1	173.2	-159.7	0	0	111.6
637	Y	97.6	Very high	98.2	Very high	12 Å²	12	17.7 Å²	17.7	5%	0.047	10%	0.1	C	C	.	.	P	Polyproline II helix	trans	-97.1	167.6	178.9	77.5	-96.3	0	0	0	112	I235 T237 C611 H616 T618 E619 I621 S635	I235-Y637 HydrophobicContact CD1-CD2 4.05Å; I235-Y637 HydrophobicContact CD1-CE2 3.76Å; T237-Y637 HydrophobicContact CG2-CE2 4.39Å; C611-Y637 PolarHBondContact SG-OH 3.11Å; H616-Y637 HydrophobicContact CB-CE1 4.25Å; H616-Y637 WeakPolarHBondContact CB-OH 3.48Å; H616-Y637 AromaticContact CD2-CE2 3.92Å; H616-Y637 AromaticContact CD2-CZ 3.65Å; H616-Y637 AromaticContact CE1-CD1 3.84Å; H616-Y637 AromaticContact CE1-CE1 3.63Å; H616-Y637 AromaticContact CE1-CE2 3.82Å; H616-Y637 AromaticContact CE1-CZ 3.62Å; H616-Y637 PolarHBondContact CE1-O 3.22Å; H616-Y637 AromaticContact CG-CE1 3.73Å; H616-Y637 AromaticContact CG-CZ 3.44Å; H616-Y637 VanDerWaalsContact CG-CZ 3.44Å; H616-Y637 VanDerWaalsContact CG-OH 3.23Å; H616-Y637 AromaticContact ND1-CD1 3.82Å; H616-Y637 AromaticContact ND1-CE1 3.25Å; H616-Y637 VanDerWaalsContact ND1-CE1 3.25Å; H616-Y637 WeakPolarHBondContact ND1-CE1 3.44Å; H616-Y637 AromaticContact ND1-CZ 3.42Å; H616-Y637 AromaticContact NE2-CE2 3.72Å; H616-Y637 AromaticContact NE2-CZ 3.79Å; T618-Y637 PolarHBondContact O-OH 3.29Å; E619-Y637 WeakPolarHBondContact OE2-CD1 3.4Å; I621-Y637 HydrophobicContact CD1-CD1 3.97Å; I621-Y637 HydrophobicContact CD1-CD2 3.49Å; I621-Y637 VanDerWaalsContact CD1-CD2 3.49Å; I621-Y637 HydrophobicContact CD1-CE1 4.11Å; I621-Y637 HydrophobicContact CD1-CE2 3.67Å; I621-Y637 HydrophobicContact CD1-CG 3.66Å; I621-Y637 HydrophobicContact CG2-CE1 4.39Å; S635-Y637 PolarHBondContact O-N 2.98Å
638	G	98	Very high	98.2	Very high	12 Å²	12	16 Å²	16	12%	0.124	9%	0.094	C	C	.	.			trans	-163.4	-165.6	176.8	0	0	0	0	0	112.3	P640 A641	G638-P640 WeakPolarHBondContact O-CD 3.45Å; G638-P640 VanDerWaalsContact O-N 3.09Å; G638-A641 VanDerWaalsContact O-CB 3.27Å; G638-A641 WeakPolarHBondContact O-CB 3.43Å; G638-A641 PolarHBondContact O-N 3.15Å
639	P	98.5	Very high	98.2	Very high	38 Å²	38	16 Å²	16	25%	0.247	9%	0.094	C	C	.	.	T	Hydrogen-bonded Turn	trans	-45.6	-34.1	172.3	-29.2	35.9	0	0	0	116.5	H229 I235 T613 A641 D642	H229-P639 HydrophobicContact CB-CB 4.31Å; H229-P639 PolarHBondContact CE1-O 3.02Å; H229-P639 VanDerWaalsContact CE1-O 3.23Å; I235-P639 HydrophobicContact CG1-CG 4.23Å; T613-P639 HydrophobicContact CG2-CG 3.7Å; P639-A641 PolarHBondContact O-N 3.05Å; P639-A641 VanDerWaalsContact O-N 3.15Å; P639-D642 PolarHBondContact O-N 2.88Å
640	P	98.7	Very high	98.2	Very high	31 Å²	31	16 Å²	16	20%	0.201	9%	0.094	C	C	.	.	H	α-helix	trans	-60.6	-18.5	175	-26.3	36.8	0	0	0	115.3	G638 I643 W644 P747 R750	G638-P640 WeakPolarHBondContact O-CD 3.45Å; G638-P640 VanDerWaalsContact O-N 3.09Å; P640-I643 WeakPolarHBondContact O-CB 3.4Å; P640-I643 PolarHBondContact O-N 2.79Å; P640-W644 PolarHBondContact O-N 2.83Å; P640-P747 HydrophobicContact CB-CB 3.99Å; P640-P747 HydrophobicContact CG-CB 4.09Å; P640-P747 WeakPolarHBondContact CG-O 3.39Å; P640-R750 HydrophobicContact CB-CB 4.29Å; P640-R750 VanDerWaalsContact O-CD 3.31Å; P640-R750 WeakPolarHBondContact O-CD 3.23Å; P640-R750 PolarHBondContact O-NH1 3.49Å
641	A	98.8	Very high	98.2	Very high	0 Å²	0	16 Å²	16	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-64.7	-42.9	176.3	0	0	0	0	0	111.2	Q622 A628 G638 P639 I643 W644 S645	Q622-A641 PolarHBondContact NE2-O 3.09Å; A628-A641 HydrophobicContact CB-CB 4.49Å; G638-A641 VanDerWaalsContact O-CB 3.27Å; G638-A641 WeakPolarHBondContact O-CB 3.43Å; G638-A641 PolarHBondContact O-N 3.15Å; P639-A641 PolarHBondContact O-N 3.05Å; P639-A641 VanDerWaalsContact O-N 3.15Å; A641-I643 PolarHBondContact O-N 3.45Å; A641-W644 PolarHBondContact O-N 3.41Å; A641-S645 PolarHBondContact O-N 3.1Å; A641-S645 VanDerWaalsContact O-N 3.1Å; A641-S645 PolarHBondContact O-OG 3.03Å
642	D	98.9	Very high	98.2	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-62.6	-31.7	176.3	-64.6	-27.2	0	0	0	111.9	L225 H229 I235 H236 T237 I239 P639 S645 T646	L225-D642 HydrophobicContact CD1-CB 4.04Å; L225-D642 HydrophobicContact CD2-CB 3.8Å; H229-D642 IonicContact CD2-OD2 3.5Å; H229-D642 IonicContact CE1-OD2 3.59Å; H229-D642 IonicContact NE2-OD2 3.74Å; H229-D642 PolarHBondContact NE2-OD2 2.86Å; I235-D642 WeakPolarHBondContact CG2-OD2 3.45Å; H236-D642 PolarHBondContact N-OD1 2.89Å; H236-D642 PolarHBondContact N-OD2 3.39Å; T237-D642 PolarHBondContact N-OD1 3.28Å; I239-D642 HydrophobicContact CG1-CB 4.23Å; P639-D642 PolarHBondContact O-N 2.88Å; D642-S645 PolarHBondContact O-N 3.21Å; D642-T646 WeakPolarHBondContact O-CB 3.48Å; D642-T646 PolarHBondContact O-N 3.21Å; D642-T646 PolarHBondContact O-OG1 3.32Å
643	I	98.9	Very high	98.2	Very high	2 Å²	2	15.4 Å²	15.4	1%	0.01	9%	0.09	C	C	.	.	H	α-helix	trans	-68.3	-44.2	177.7	-54	-58.1	0	0	0	110.9	L222 L225 P640 A641 S645 T646 A647 M742 R750 A751 A753	L222-I643 HydrophobicContact CD2-CD1 4.31Å; L225-I643 HydrophobicContact CD1-CD1 4.36Å; P640-I643 WeakPolarHBondContact O-CB 3.4Å; P640-I643 PolarHBondContact O-N 2.79Å; A641-I643 PolarHBondContact O-N 3.45Å; I643-S645 VanDerWaalsContact C-N 3.34Å; I643-S645 PolarHBondContact O-N 2.99Å; I643-T646 WeakPolarHBondContact O-CB 3.45Å; I643-T646 PolarHBondContact O-N 3.19Å; I643-A647 PolarHBondContact O-N 2.67Å; I643-M742 HydrophobicContact CG2-CB 3.81Å; I643-M742 HydrophobicContact CG2-CE 3.89Å; I643-M742 HydrophobicContact CG2-CG 3.89Å; I643-R750 HydrophobicContact CG2-CG 4.35Å; I643-A751 WeakPolarHBondContact CG2-O 3.39Å; I643-A753 HydrophobicContact CD1-CB 3.9Å
644	W	98.9	Very high	98.3	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-59.9	-45.5	174.5	179	-74.2	0	0	0	111.2	R627 A628 L629 P640 A641 T646 A647 C648 F660 I678 L682 L743	R627-W644 PolarHBondContact O-NE1 3.04Å; A628-W644 HydrophobicContact CB-CB 3.85Å; A628-W644 HydrophobicContact CB-CD2 4.11Å; A628-W644 HydrophobicContact CB-CG 3.68Å; L629-W644 HydrophobicContact CB-CH2 4.16Å; L629-W644 HydrophobicContact CB-CZ3 4.32Å; P640-W644 PolarHBondContact O-N 2.83Å; A641-W644 PolarHBondContact O-N 3.41Å; W644-T646 VanDerWaalsContact C-N 3.3Å; W644-T646 PolarHBondContact O-N 3.1Å; W644-A647 WeakPolarHBondContact O-CB 3.46Å; W644-A647 PolarHBondContact O-N 3.45Å; W644-C648 PolarHBondContact O-N 2.99Å; W644-C648 PolarHBondContact O-SG 2.79Å; W644-F660 AromaticContact CZ2-CE2 3.64Å; W644-F660 HydrophobicContact CZ2-CE2 3.64Å; W644-F660 HydrophobicContact CZ2-CZ 4.1Å; W644-I678 HydrophobicContact CH2-CD1 4.03Å; W644-I678 HydrophobicContact CH2-CG1 4.13Å; W644-I678 HydrophobicContact CH2-CG2 4.22Å; W644-I678 HydrophobicContact CZ2-CD1 3.72Å; W644-I678 HydrophobicContact CZ2-CG1 3.92Å; W644-L682 HydrophobicContact CH2-CD1 4.35Å; W644-L743 HydrophobicContact CD2-CD2 3.85Å; W644-L743 HydrophobicContact CE3-CD2 3.95Å; W644-L743 HydrophobicContact CG-CD2 4.34Å; W644-L743 HydrophobicContact CH2-CD2 4.46Å; W644-L743 HydrophobicContact CZ2-CD2 4.37Å; W644-L743 HydrophobicContact CZ3-CB 4.39Å; W644-L743 HydrophobicContact CZ3-CD2 4.27Å; W644-L743 VanDerWaalsContact CZ3-O 3.3Å; W644-L743 WeakPolarHBondContact CZ3-O 3.11Å
645	S	98.9	Very high	98.3	Very high	0 Å²	0	15 Å²	15	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-61.3	-38.8	175.2	-56	0	0	0	0	112.3	I239 Q622 Y626 A641 D642 I643 A647 C648 M649	I239-S645 WeakPolarHBondContact O-CB 3.46Å; Q622-S645 PolarHBondContact NE2-OG 2.65Å; Y626-S645 WeakPolarHBondContact O-CA 3.36Å; Y626-S645 PolarHBondContact O-OG 3.46Å; A641-S645 PolarHBondContact O-N 3.1Å; A641-S645 VanDerWaalsContact O-N 3.1Å; A641-S645 PolarHBondContact O-OG 3.03Å; D642-S645 PolarHBondContact O-N 3.21Å; I643-S645 VanDerWaalsContact C-N 3.34Å; I643-S645 PolarHBondContact O-N 2.99Å; S645-A647 PolarHBondContact O-N 3.14Å; S645-C648 PolarHBondContact O-N 3.48Å; S645-M649 WeakPolarHBondContact O-CB 3.28Å; S645-M649 PolarHBondContact O-N 3.05Å
646	T	98.9	Very high	98.3	Very high	0 Å²	0	14 Å²	14	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-64.7	-36.3	175.3	-55.6	0	0	0	0	112.2	I218 T221 L222 L225 D642 I643 W644 M649 A650 M742	I218-T646 HydrophobicContact CD1-CG2 4.09Å; I218-T646 HydrophobicContact CG2-CG2 4.23Å; T221-T646 HydrophobicContact CG2-CG2 4.25Å; L222-T646 HydrophobicContact CD2-CG2 4.23Å; L222-T646 HydrophobicContact CG-CG2 4.49Å; L225-T646 VanDerWaalsContact CD1-OG1 3.27Å; L225-T646 WeakPolarHBondContact CD1-OG1 3.46Å; D642-T646 WeakPolarHBondContact O-CB 3.48Å; D642-T646 PolarHBondContact O-N 3.21Å; D642-T646 PolarHBondContact O-OG1 3.32Å; I643-T646 WeakPolarHBondContact O-CB 3.45Å; I643-T646 PolarHBondContact O-N 3.19Å; W644-T646 VanDerWaalsContact C-N 3.3Å; W644-T646 PolarHBondContact O-N 3.1Å; T646-M649 HydrophobicContact CG2-CE 4.49Å; T646-A650 VanDerWaalsContact O-CB 3.31Å; T646-A650 WeakPolarHBondContact O-CB 3.34Å; T646-A650 PolarHBondContact O-N 3.13Å; T646-M742 HydrophobicContact CG2-CE 3.85Å
647	A	98.9	Very high	98.4	Very high	0 Å²	0	7.8 Å²	7.8	0%	0	5%	0.049	C	C	.	.	H	α-helix	trans	-66.5	-44.2	174.6	0	0	0	0	0	112.2	I643 W644 S645 M649 A650 F651 L739 M742 L743	I643-A647 PolarHBondContact O-N 2.67Å; W644-A647 WeakPolarHBondContact O-CB 3.46Å; W644-A647 PolarHBondContact O-N 3.45Å; S645-A647 PolarHBondContact O-N 3.14Å; A647-M649 VanDerWaalsContact C-N 3.35Å; A647-M649 PolarHBondContact O-N 3.32Å; A647-A650 PolarHBondContact O-N 2.99Å; A647-F651 PolarHBondContact O-N 2.74Å; A647-F651 VanDerWaalsContact O-N 3.1Å; A647-L739 HydrophobicContact CB-CD2 3.94Å; A647-M742 HydrophobicContact CB-CB 3.72Å; A647-M742 HydrophobicContact CB-CE 4.14Å; A647-M742 HydrophobicContact CB-SD 4.42Å; A647-L743 HydrophobicContact CB-CD2 3.77Å; A647-L743 HydrophobicContact CB-CG 3.9Å
648	C	98.8	Very high	98.4	Very high	2 Å²	2	9.8 Å²	9.8	1%	0.014	6%	0.057	C	C	.	.	H	α-helix	trans	-60	-45.6	175	-61.2	0	0	0	0	111.1	Y626 W644 S645 F651 E652 L659	Y626-C648 HydrophobicContact CD1-CB 3.9Å; W644-C648 PolarHBondContact O-N 2.99Å; W644-C648 PolarHBondContact O-SG 2.79Å; S645-C648 PolarHBondContact O-N 3.48Å; C648-F651 PolarHBondContact O-N 2.81Å; C648-E652 PolarHBondContact O-N 2.65Å; C648-E652 VanDerWaalsContact O-N 3.08Å; C648-L659 HydrophobicContact CB-CB 4.49Å
649	M	98.7	Very high	98.5	Very high	0 Å²	0	10.3 Å²	10.3	0%	0	6%	0.057	C	C	.	.	H	α-helix	trans	-64.8	-38.6	175.9	-179.2	175.3	68.1	0	0	112.7	I218 T221 I239 P241 I244 S645 T646 A647 E652 L653	I218-M649 HydrophobicContact CD1-CE 3.94Å; T221-M649 HydrophobicContact CG2-CE 3.94Å; I239-M649 HydrophobicContact CG2-CE 3.79Å; I239-M649 HydrophobicContact CG2-SD 4.32Å; P241-M649 HydrophobicContact CG-CG 4.01Å; P241-M649 HydrophobicContact CG-SD 4.43Å; I244-M649 HydrophobicContact CD1-CE 4.46Å; I244-M649 HydrophobicContact CG1-CE 3.9Å; I244-M649 HydrophobicContact CG1-SD 3.8Å; S645-M649 WeakPolarHBondContact O-CB 3.28Å; S645-M649 PolarHBondContact O-N 3.05Å; T646-M649 HydrophobicContact CG2-CE 4.49Å; A647-M649 VanDerWaalsContact C-N 3.35Å; A647-M649 PolarHBondContact O-N 3.32Å; M649-E652 PolarHBondContact O-N 3.12Å; M649-L653 HydrophobicContact CG-CD1 3.86Å; M649-L653 HydrophobicContact CG-CG 4.29Å; M649-L653 WeakPolarHBondContact O-CB 3.27Å; M649-L653 VanDerWaalsContact O-CG 3.26Å; M649-L653 WeakPolarHBondContact O-CG 3.06Å; M649-L653 PolarHBondContact O-N 2.9Å
650	A	98.7	Very high	98.5	Very high	0 Å²	0	8.7 Å²	8.7	0%	0	5%	0.046	C	C	.	.	H	α-helix	trans	-61.6	-44.1	176.8	0	0	0	0	0	111.6	I218 T646 A647 A654 F735 L739	I218-A650 HydrophobicContact CD1-CB 3.69Å; I218-A650 HydrophobicContact CG1-CB 3.78Å; T646-A650 VanDerWaalsContact O-CB 3.31Å; T646-A650 WeakPolarHBondContact O-CB 3.34Å; T646-A650 PolarHBondContact O-N 3.13Å; A647-A650 PolarHBondContact O-N 2.99Å; A650-A654 VanDerWaalsContact O-CB 3.28Å; A650-A654 WeakPolarHBondContact O-CB 3.42Å; A650-A654 PolarHBondContact O-N 3.23Å; A650-F735 HydrophobicContact CB-CE2 4.41Å; A650-F735 HydrophobicContact CB-CZ 4.27Å; A650-L739 HydrophobicContact CB-CD2 3.94Å
651	F	98.7	Very high	98.4	Very high	5 Å²	5	10 Å²	10	2%	0.022	5%	0.049	C	C	.	.	H	α-helix	trans	-63.9	-42.6	175.3	179.8	-89.2	0	0	0	112.2	A647 C648 A654 T655 D657 L659 L717 V720 L721 Y725 L739	A647-F651 PolarHBondContact O-N 2.74Å; A647-F651 VanDerWaalsContact O-N 3.1Å; C648-F651 PolarHBondContact O-N 2.81Å; F651-A654 PolarHBondContact O-N 2.73Å; F651-T655 HydrophobicContact CD1-CG2 4.47Å; F651-T655 HydrophobicContact CD2-CG2 4.25Å; F651-T655 HydrophobicContact CE1-CG2 4.32Å; F651-T655 HydrophobicContact CE2-CG2 4.1Å; F651-T655 HydrophobicContact CG-CG2 4.46Å; F651-T655 HydrophobicContact CZ-CG2 4.16Å; F651-T655 WeakPolarHBondContact O-CB 3.45Å; F651-T655 WeakPolarHBondContact O-CG2 3.38Å; F651-T655 PolarHBondContact O-N 3.14Å; F651-T655 PolarHBondContact O-OG1 3.15Å; F651-D657 WeakPolarHBondContact CD1-O 3.32Å; F651-L659 HydrophobicContact CB-CB 4.29Å; F651-L659 HydrophobicContact CB-CD1 4.36Å; F651-L659 HydrophobicContact CD1-CB 3.76Å; F651-L659 HydrophobicContact CD1-CD1 3.87Å; F651-L659 HydrophobicContact CD1-CG 4.42Å; F651-L659 HydrophobicContact CD2-CD1 3.78Å; F651-L659 HydrophobicContact CE1-CB 4.27Å; F651-L659 HydrophobicContact CE1-CD1 3.97Å; F651-L659 HydrophobicContact CE2-CD1 3.88Å; F651-L659 HydrophobicContact CG-CB 4.13Å; F651-L659 HydrophobicContact CG-CD1 3.75Å; F651-L659 HydrophobicContact CG-CG 4.46Å; F651-L659 HydrophobicContact CZ-CD1 3.95Å; F651-L717 HydrophobicContact CD2-CD1 3.89Å; F651-L717 HydrophobicContact CE2-CD1 3.78Å; F651-V720 HydrophobicContact CE2-CG1 4.34Å; F651-V720 HydrophobicContact CZ-CG1 4.17Å; F651-L721 HydrophobicContact CD2-CD2 4.44Å; F651-L721 HydrophobicContact CE2-CD2 4.12Å; F651-Y725 HydrophobicContact CE2-CE2 4.19Å; F651-Y725 AromaticContact CZ-CE2 3.7Å; F651-Y725 HydrophobicContact CZ-CE2 3.7Å; F651-Y725 WeakPolarHBondContact CZ-OH 3.31Å; F651-L739 HydrophobicContact CB-CD1 4.37Å
652	E	98.6	Very high	98.3	Very high	2 Å²	2	10.4 Å²	10.4	1%	0.009	5%	0.052	C	C	.	.	H	α-helix	trans	-65.1	-43.7	177.6	-171.9	-170	170.3	0	0	112.2	I201 Y626 C648 M649 A654 T655 G656 D657 Y658	I201-E652 HydrophobicContact CD1-CG 4.15Å; Y626-E652 WeakPolarHBondContact CE1-OE2 3.29Å; Y626-E652 PolarHBondContact OH-OE2 3.48Å; Y626-E652 VanDerWaalsContact OH-OE2 3.06Å; C648-E652 PolarHBondContact O-N 2.65Å; C648-E652 VanDerWaalsContact O-N 3.08Å; M649-E652 PolarHBondContact O-N 3.12Å; E652-A654 PolarHBondContact O-N 3.45Å; E652-T655 PolarHBondContact O-N 3.07Å; E652-G656 VanDerWaalsContact O-CA 3.3Å; E652-G656 WeakPolarHBondContact O-CA 3.42Å; E652-G656 PolarHBondContact O-N 2.91Å; E652-D657 VanDerWaalsContact CA-O 3.3Å; E652-D657 WeakPolarHBondContact CA-O 3.37Å; E652-Y658 HydrophobicContact CG-CD1 4.24Å; E652-Y658 WeakPolarHBondContact OE1-CE1 3.36Å
653	L	98.3	Very high	98.2	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-61.4	-35.1	174.5	-71.3	167.2	0	0	0	111.9	L197 I201 G208 I209 V214 I217 I218 M649	L197-L653 HydrophobicContact CB-CD2 4.09Å; L197-L653 HydrophobicContact CD1-CD1 3.96Å; L197-L653 HydrophobicContact CD1-CD2 4.04Å; I201-L653 HydrophobicContact CD1-CD2 3.92Å; I201-L653 HydrophobicContact CG1-CD2 4.01Å; G208-L653 CarbonylContact C-O 3.58Å; G208-L653 WeakPolarHBondContact CA-O 3.49Å; I209-L653 HydrophobicContact CD1-CD2 4.21Å; I209-L653 PolarHBondContact N-O 3.27Å; V214-L653 HydrophobicContact CG1-CB 3.85Å; V214-L653 HydrophobicContact CG2-CB 4.07Å; I217-L653 HydrophobicContact CG2-CD1 3.88Å; I218-L653 HydrophobicContact CD1-CD1 4.15Å; M649-L653 HydrophobicContact CG-CD1 3.86Å; M649-L653 HydrophobicContact CG-CG 4.29Å; M649-L653 WeakPolarHBondContact O-CB 3.27Å; M649-L653 VanDerWaalsContact O-CG 3.26Å; M649-L653 WeakPolarHBondContact O-CG 3.06Å; M649-L653 PolarHBondContact O-N 2.9Å
654	A	98.1	Very high	98	Very high	8 Å²	8	18.4 Å²	18.4	7%	0.066	10%	0.097	C	C	.	.	H	α-helix	trans	-79.5	-26.1	-179.9	0	0	0	0	0	114.4	L211 V214 A650 F651 E652 W727 F735	L211-A654 HydrophobicContact CD2-CB 3.74Å; V214-A654 HydrophobicContact CG1-CB 4.45Å; V214-A654 HydrophobicContact CG2-CB 4.47Å; A650-A654 VanDerWaalsContact O-CB 3.28Å; A650-A654 WeakPolarHBondContact O-CB 3.42Å; A650-A654 PolarHBondContact O-N 3.23Å; F651-A654 PolarHBondContact O-N 2.73Å; E652-A654 PolarHBondContact O-N 3.45Å; A654-W727 HydrophobicContact CB-CH2 3.86Å; A654-W727 HydrophobicContact CB-CZ2 3.84Å; A654-F735 HydrophobicContact CB-CE1 3.78Å; A654-F735 HydrophobicContact CB-CZ 3.79Å
655	T	97.6	Very high	97.8	Very high	10 Å²	10	20 Å²	20	6%	0.061	11%	0.112	C	C	.	.	H	α-helix	trans	-121.6	-23.3	-170.8	64.6	0	0	0	0	115	R207 G208 F651 E652 D657 L721 Y725 W727	R207-T655 CarbonylContact C-O 3.58Å; G208-T655 VanDerWaalsContact N-C 3.27Å; G208-T655 PolarHBondContact N-O 3.4Å; F651-T655 HydrophobicContact CD1-CG2 4.47Å; F651-T655 HydrophobicContact CD2-CG2 4.25Å; F651-T655 HydrophobicContact CE1-CG2 4.32Å; F651-T655 HydrophobicContact CE2-CG2 4.1Å; F651-T655 HydrophobicContact CG-CG2 4.46Å; F651-T655 HydrophobicContact CZ-CG2 4.16Å; F651-T655 WeakPolarHBondContact O-CB 3.45Å; F651-T655 WeakPolarHBondContact O-CG2 3.38Å; F651-T655 PolarHBondContact O-N 3.14Å; F651-T655 PolarHBondContact O-OG1 3.15Å; E652-T655 PolarHBondContact O-N 3.07Å; T655-D657 VanDerWaalsContact C-N 3.31Å; T655-D657 PolarHBondContact OG1-N 2.87Å; T655-D657 PolarHBondContact OG1-O 3.12Å; T655-L721 HydrophobicContact CG2-CD2 4.28Å; T655-Y725 HydrophobicContact CG2-CD1 4.32Å; T655-Y725 HydrophobicContact CG2-CD2 3.99Å; T655-Y725 HydrophobicContact CG2-CE1 4.1Å; T655-Y725 HydrophobicContact CG2-CE2 3.69Å; T655-Y725 HydrophobicContact CG2-CG 4.26Å; T655-W727 HydrophobicContact CG2-CZ2 4.5Å
656	G	96.6	Very high	97.5	Very high	1 Å²	1	29.3 Å²	29.3	1%	0.01	16%	0.156	C	C	.	.	S	Bend	trans	82.6	2.7	-170.9	0	0	0	0	0	114.7	G208 E652	G208-G656 VanDerWaalsContact N-N 3.17Å; E652-G656 VanDerWaalsContact O-CA 3.3Å; E652-G656 WeakPolarHBondContact O-CA 3.42Å; E652-G656 PolarHBondContact O-N 2.91Å
657	D	97.6	Very high	97.3	Very high	41 Å²	41	35.5 Å²	35.5	22%	0.219	19%	0.189	C	C	.	.	S	Bend	trans	-122.7	140.6	-175.8	-105.6	-20.3	0	0	0	110.9	R6 F651 E652 T655 K724 Y725	R6-D657 IonicContact CZ-OD1 3.2Å; R6-D657 IonicContact NH1-OD1 2.81Å; R6-D657 PolarHBondContact NH1-OD1 2.96Å; R6-D657 IonicContact NH2-OD1 2.74Å; R6-D657 PolarHBondContact NH2-OD1 2.97Å; F651-D657 WeakPolarHBondContact CD1-O 3.32Å; E652-D657 VanDerWaalsContact CA-O 3.3Å; E652-D657 WeakPolarHBondContact CA-O 3.37Å; T655-D657 VanDerWaalsContact C-N 3.31Å; T655-D657 PolarHBondContact OG1-N 2.87Å; T655-D657 PolarHBondContact OG1-O 3.12Å; D657-K724 IonicContact OD2-NZ 3.16Å; D657-K724 PolarHBondContact OD2-NZ 2.72Å; D657-Y725 HydrophobicContact CB-CE1 4.47Å; D657-Y725 VanDerWaalsContact CB-OH 3.23Å; D657-Y725 WeakPolarHBondContact CB-OH 3.3Å
658	Y	98.3	Very high	97.1	Very high	54 Å²	54	39.2 Å²	39.2	21%	0.212	20%	0.204	C	C	.	.			trans	-58.4	141.4	169	-58.6	-52.2	0	0	0	111.2	Q625 E652 F660 E661	Q625-Y658 HydrophobicContact CB-CD1 3.98Å; Q625-Y658 HydrophobicContact CB-CE1 4.43Å; Q625-Y658 HydrophobicContact CB-CG 4.09Å; Q625-Y658 HydrophobicContact CG-CD1 4.02Å; Q625-Y658 HydrophobicContact CG-CD2 3.79Å; Q625-Y658 HydrophobicContact CG-CE1 4.3Å; Q625-Y658 HydrophobicContact CG-CE2 4.07Å; Q625-Y658 HydrophobicContact CG-CG 3.77Å; E652-Y658 HydrophobicContact CG-CD1 4.24Å; E652-Y658 WeakPolarHBondContact OE1-CE1 3.36Å; Y658-F660 VanDerWaalsContact C-N 3.32Å; Y658-E661 HydrophobicContact CD2-CB 4.45Å; Y658-E661 HydrophobicContact CD2-CG 4.37Å
659	L	98.2	Very high	97	Very high	23 Å²	23	42.3 Å²	42.3	12%	0.12	22%	0.223	C	C	.	.	S	Bend	trans	-64.5	-39.2	172.7	-175.5	61.1	0	0	0	111.5	C648 F651 L681 L717 L743	C648-L659 HydrophobicContact CB-CB 4.49Å; F651-L659 HydrophobicContact CB-CB 4.29Å; F651-L659 HydrophobicContact CB-CD1 4.36Å; F651-L659 HydrophobicContact CD1-CB 3.76Å; F651-L659 HydrophobicContact CD1-CD1 3.87Å; F651-L659 HydrophobicContact CD1-CG 4.42Å; F651-L659 HydrophobicContact CD2-CD1 3.78Å; F651-L659 HydrophobicContact CE1-CB 4.27Å; F651-L659 HydrophobicContact CE1-CD1 3.97Å; F651-L659 HydrophobicContact CE2-CD1 3.88Å; F651-L659 HydrophobicContact CG-CB 4.13Å; F651-L659 HydrophobicContact CG-CD1 3.75Å; F651-L659 HydrophobicContact CG-CG 4.46Å; F651-L659 HydrophobicContact CZ-CD1 3.95Å; L659-L681 HydrophobicContact CD1-CD2 3.72Å; L659-L681 HydrophobicContact CD2-CD2 4.21Å; L659-L681 HydrophobicContact CG-CD2 4.08Å; L659-L717 HydrophobicContact CD1-CD1 4.39Å; L659-L743 HydrophobicContact CD2-CD1 3.85Å; L659-L743 HydrophobicContact CD2-CD2 4.19Å
660	F	98.3	Very high	97	Very high	3 Å²	3	47.7 Å²	47.7	1%	0.013	24%	0.243	C	C	.	.			trans	-130.3	122.7	176.4	-50.9	-61.9	0	0	0	109.9	W644 Y658 H674 H677 I678 L681	W644-F660 AromaticContact CZ2-CE2 3.64Å; W644-F660 HydrophobicContact CZ2-CE2 3.64Å; W644-F660 HydrophobicContact CZ2-CZ 4.1Å; Y658-F660 VanDerWaalsContact C-N 3.32Å; F660-H674 VanDerWaalsContact CB-NE2 3.29Å; F660-H674 WeakPolarHBondContact CB-NE2 3.27Å; F660-H674 AromaticContact CD2-NE2 3.61Å; F660-H674 AromaticContact CG-CD2 3.94Å; F660-H674 AromaticContact CG-NE2 3.6Å; F660-H677 HydrophobicContact CD1-CB 3.94Å; F660-I678 HydrophobicContact CD1-CG1 4.4Å; F660-I678 HydrophobicContact CE1-CG1 3.97Å; F660-I678 HydrophobicContact CE2-CG1 4.27Å; F660-I678 HydrophobicContact CZ-CG1 3.9Å; F660-L681 HydrophobicContact CE1-CB 4.28Å; F660-L681 HydrophobicContact CE1-CD2 3.66Å; F660-L681 HydrophobicContact CZ-CD2 3.75Å
661	E	97.2	Very high	96.9	Very high	58 Å²	58	49 Å²	49	27%	0.271	25%	0.25	S	S	.	.			trans	-126.2	80.4	173.7	-171.6	179.8	-137.9	0	0	109.9	R6 Y658 H663	R6-E661 IonicContact CZ-OE1 3.42Å; R6-E661 IonicContact CZ-OE2 2.65Å; R6-E661 VanDerWaalsContact NE-CD 3.33Å; R6-E661 IonicContact NE-OE1 2.99Å; R6-E661 PolarHBondContact NE-OE1 3Å; R6-E661 IonicContact NE-OE2 3.1Å; R6-E661 PolarHBondContact NE-OE2 3.17Å; R6-E661 IonicContact NH2-OE1 2.79Å; R6-E661 PolarHBondContact NH2-OE1 3.08Å; R6-E661 IonicContact NH2-OE2 3.46Å; R6-E661 PolarHBondContact NH2-OE2 2.72Å; Y658-E661 HydrophobicContact CD2-CB 4.45Å; Y658-E661 HydrophobicContact CD2-CG 4.37Å; E661-H663 PolarHBondContact O-CE1 3.45Å; E661-H663 PolarHBondContact O-ND1 3.02Å
662	P	97.1	Very high	96.9	Very high	9 Å²	9	48.9 Å²	48.9	6%	0.058	25%	0.25	C	C	.	.			trans	-80.9	148	-173.7	33.1	-37.9	0	0	0	113.7	R624 R670 D673 H674	R624-P662 HydrophobicContact CG-CG 4.18Å; P662-R670 HydrophobicContact CB-CG 4.02Å; P662-R670 WeakPolarHBondContact CB-O 3.46Å; P662-R670 HydrophobicContact CG-CG 4.06Å; P662-R670 WeakPolarHBondContact O-CD 3.38Å; P662-R670 WeakPolarHBondContact O-CG 3.39Å; P662-D673 WeakPolarHBondContact CA-OD2 3.49Å; P662-D673 HydrophobicContact CB-CB 4.26Å; P662-H674 HydrophobicContact CB-CB 3.73Å; P662-H674 HydrophobicContact CG-CB 3.83Å
663	H	96.2	Very high	96.9	Very high	102 Å²	102	49.6 Å²	49.6	47%	0.472	25%	0.253	S	S	.	.			trans	-126.1	156.1	-177.9	-63	76.2	0	0	0	111	E661 D673	E661-H663 PolarHBondContact O-CE1 3.45Å; E661-H663 PolarHBondContact O-ND1 3.02Å; H663-D673 PolarHBondContact N-OD2 3.22Å; H663-D673 WeakPolarHBondContact O-CB 3.46Å; H663-D673 VanDerWaalsContact O-CG 3.26Å
664	S	95.3	Very high	96.9	Very high	69 Å²	69	49.6 Å²	49.6	48%	0.483	25%	0.253	S	S	.	.			trans	-84	141.7	167.7	-56.2	0	0	0	0	110
665	G	93.9	Very high	96.9	Very high	32 Å²	32	49.2 Å²	49.2	33%	0.33	25%	0.25	S	S	.	.			trans	-95.2	-166.7	169.5	0	0	0	0	0	112.7	Y668	G665-Y668 PolarHBondContact N-O 3.36Å
666	E	93.3	Very high	96.9	Very high	197 Å²	197	48.9 Å²	48.9	92%	0.921	25%	0.249	S	C	*	.	S	Bend	trans	-75.5	-43.2	168.1	-64.6	179.3	166.9	0	0	110.5
667	D	94.2	Very high	97	Very high	129 Å²	129	51.5 Å²	51.5	69%	0.69	26%	0.261	S	S	*	.	S	Bend	trans	-102.3	-4.1	-176.2	-56.3	-55.3	0	0	0	114.7
668	Y	95.5	Very high	97	Very high	79 Å²	79	49.6 Å²	49.6	31%	0.31	25%	0.25	S	S	.	.	S	Bend	trans	-141.3	148.7	-169	64.8	-100.1	0	0	0	114.2	G665 D673 I709	G665-Y668 PolarHBondContact N-O 3.36Å; Y668-D673 HydrophobicContact CD2-CB 3.98Å; Y668-D673 HydrophobicContact CE2-CB 3.75Å; Y668-D673 VanDerWaalsContact CE2-OD1 3.23Å; Y668-D673 WeakPolarHBondContact CE2-OD1 3.41Å; Y668-I709 HydrophobicContact CD1-CD1 4.41Å; Y668-I709 HydrophobicContact CD1-CG1 3.99Å; Y668-I709 HydrophobicContact CD2-CD1 3.61Å; Y668-I709 HydrophobicContact CD2-CG1 4.06Å; Y668-I709 HydrophobicContact CE1-CG1 4.47Å; Y668-I709 HydrophobicContact CE2-CD1 3.96Å; Y668-I709 HydrophobicContact CG-CD1 3.84Å; Y668-I709 HydrophobicContact CG-CG1 3.74Å
669	T	97	Very high	97	Very high	66 Å²	66	47.6 Å²	47.6	41%	0.405	24%	0.243	S	C	.	.			trans	-83.6	161.2	-177.3	74.8	0	0	0	0	112.4	D671 E672 D673	T669-D671 PolarHBondContact O-N 2.7Å; T669-D671 PolarHBondContact OG1-N 3.35Å; T669-E672 PolarHBondContact O-N 2.84Å; T669-E672 PolarHBondContact OG1-N 3.38Å; T669-E672 VanDerWaalsContact OG1-N 3.13Å; T669-D673 PolarHBondContact O-N 3.26Å
670	R	97.4	Very high	97	Very high	114 Å²	114	48.3 Å²	48.3	43%	0.43	25%	0.246	S	C	.	.	H	α-helix	trans	-61.1	-20.8	171.7	-163	-178.5	-66.6	110.2	-3.5	113.3	R624 P662 H674	R624-R670 PolarHBondContact NH1-O 2.82Å; R624-R670 VanDerWaalsContact NH1-O 3.15Å; P662-R670 HydrophobicContact CB-CG 4.02Å; P662-R670 WeakPolarHBondContact CB-O 3.46Å; P662-R670 HydrophobicContact CG-CG 4.06Å; P662-R670 WeakPolarHBondContact O-CD 3.38Å; P662-R670 WeakPolarHBondContact O-CG 3.39Å; R670-H674 WeakPolarHBondContact O-CB 3.31Å; R670-H674 PolarHBondContact O-N 3.03Å
671	D	97.8	Very high	96.9	Very high	28 Å²	28	49.1 Å²	49.1	15%	0.15	25%	0.25	C	C	.	.	H	α-helix	trans	-83.1	-38.5	176.7	-70.9	-76.3	0	0	0	111.2	R624 L632 T669 H674 L675 Y699	R624-D671 IonicContact CZ-OD1 2.71Å; R624-D671 IonicContact CZ-OD2 3.12Å; R624-D671 IonicContact NH1-OD1 3.89Å; R624-D671 PolarHBondContact NH1-OD1 3.45Å; R624-D671 IonicContact NH1-OD2 2.65Å; R624-D671 PolarHBondContact NH1-OD2 3.02Å; R624-D671 VanDerWaalsContact NH1-OD2 3.1Å; R624-D671 VanDerWaalsContact NH2-CG 3.31Å; R624-D671 IonicContact NH2-OD1 3.88Å; R624-D671 PolarHBondContact NH2-OD1 3.47Å; R624-D671 IonicContact NH2-OD2 3.45Å; R624-D671 PolarHBondContact NH2-OD2 2.87Å; L632-D671 WeakPolarHBondContact CD2-OD1 3.46Å; T669-D671 PolarHBondContact O-N 2.7Å; T669-D671 PolarHBondContact OG1-N 3.35Å; D671-H674 WeakPolarHBondContact O-CB 3.43Å; D671-H674 PolarHBondContact O-N 3.41Å; D671-L675 WeakPolarHBondContact O-CG 3.5Å; D671-L675 PolarHBondContact O-N 3.17Å; D671-Y699 HydrophobicContact CB-CE1 3.82Å; D671-Y699 WeakPolarHBondContact CB-OH 3.19Å
672	E	98	Very high	96.9	Very high	2 Å²	2	48.4 Å²	48.4	1%	0.009	25%	0.248	C	C	.	.	H	α-helix	trans	-65.4	-40.1	171.7	-160.8	-178.6	158.9	0	0	112.2	T669 H674 L675 A676 Y699 L706 R707 H708 I709	T669-E672 PolarHBondContact O-N 2.84Å; T669-E672 PolarHBondContact OG1-N 3.38Å; T669-E672 VanDerWaalsContact OG1-N 3.13Å; E672-H674 VanDerWaalsContact C-N 3.26Å; E672-H674 PolarHBondContact O-N 3.24Å; E672-L675 CarbonylContact O-C 3.6Å; E672-L675 WeakPolarHBondContact O-CB 3.43Å; E672-L675 PolarHBondContact O-N 3.42Å; E672-A676 PolarHBondContact O-N 3.1Å; E672-Y699 HydrophobicContact CB-CD1 4.03Å; E672-Y699 HydrophobicContact CG-CD1 4.49Å; E672-L706 HydrophobicContact CG-CB 4.5Å; E672-L706 HydrophobicContact CG-CD1 4.47Å; E672-L706 HydrophobicContact CG-CD2 4Å; E672-R707 PolarHBondContact OE1-N 2.93Å; E672-H708 IonicContact OE1-CG 2.98Å; E672-H708 PolarHBondContact OE1-N 2.95Å; E672-H708 IonicContact OE1-ND1 3.54Å; E672-H708 IonicContact OE2-CE1 2.7Å; E672-H708 IonicContact OE2-CG 3.09Å; E672-H708 IonicContact OE2-ND1 3.59Å; E672-H708 PolarHBondContact OE2-ND1 3.1Å; E672-I709 HydrophobicContact CB-CD1 4.23Å; E672-I709 HydrophobicContact CG-CD1 4.01Å; E672-I709 HydrophobicContact CG-CG1 4.21Å; E672-I709 PolarHBondContact OE1-N 2.89Å
673	D	98.2	Very high	96.9	Very high	16 Å²	16	48.6 Å²	48.6	9%	0.086	25%	0.251	C	S	.	.	H	α-helix	trans	-65.6	-29.3	174.5	-166.5	78.3	0	0	0	112.4	P662 H663 Y668 T669 A676 H677 I709	P662-D673 WeakPolarHBondContact CA-OD2 3.49Å; P662-D673 HydrophobicContact CB-CB 4.26Å; H663-D673 PolarHBondContact N-OD2 3.22Å; H663-D673 WeakPolarHBondContact O-CB 3.46Å; H663-D673 VanDerWaalsContact O-CG 3.26Å; Y668-D673 HydrophobicContact CD2-CB 3.98Å; Y668-D673 HydrophobicContact CE2-CB 3.75Å; Y668-D673 VanDerWaalsContact CE2-OD1 3.23Å; Y668-D673 WeakPolarHBondContact CE2-OD1 3.41Å; T669-D673 PolarHBondContact O-N 3.26Å; D673-A676 PolarHBondContact O-N 3.25Å; D673-H677 PolarHBondContact O-N 3.36Å; D673-H677 PolarHBondContact O-ND1 3.09Å; D673-H677 IonicContact OD2-CE1 3.75Å; D673-H677 PolarHBondContact OD2-CE1 2.95Å; D673-H677 IonicContact OD2-ND1 3.65Å; D673-H677 PolarHBondContact OD2-ND1 3.34Å; D673-I709 HydrophobicContact CB-CD1 4.09Å
674	H	98.4	Very high	96.9	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-70.5	-42.8	172	-158.5	177.7	0	0	0	111.2	R624 L632 F660 P662 R670 D671 E672 A676 H677 I678	R624-H674 PolarHBondContact O-CE1 3.41Å; R624-H674 VanDerWaalsContact O-CE1 3.22Å; L632-H674 HydrophobicContact CD1-CB 4.05Å; L632-H674 WeakPolarHBondContact CD1-ND1 3.45Å; L632-H674 HydrophobicContact CD2-CB 4.41Å; L632-H674 WeakPolarHBondContact CD2-ND1 3.31Å; F660-H674 VanDerWaalsContact CB-NE2 3.29Å; F660-H674 WeakPolarHBondContact CB-NE2 3.27Å; F660-H674 AromaticContact CD2-NE2 3.61Å; F660-H674 AromaticContact CG-CD2 3.94Å; F660-H674 AromaticContact CG-NE2 3.6Å; P662-H674 HydrophobicContact CB-CB 3.73Å; P662-H674 HydrophobicContact CG-CB 3.83Å; R670-H674 WeakPolarHBondContact O-CB 3.31Å; R670-H674 PolarHBondContact O-N 3.03Å; D671-H674 WeakPolarHBondContact O-CB 3.43Å; D671-H674 PolarHBondContact O-N 3.41Å; E672-H674 VanDerWaalsContact C-N 3.26Å; E672-H674 PolarHBondContact O-N 3.24Å; H674-A676 VanDerWaalsContact C-N 3.29Å; H674-A676 PolarHBondContact O-N 2.89Å; H674-H677 PolarHBondContact O-N 2.93Å; H674-I678 WeakPolarHBondContact O-CG1 3.27Å; H674-I678 PolarHBondContact O-N 3.35Å
675	L	98.4	Very high	97	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-63.5	-35	173.5	-64.5	167.8	0	0	0	111.7	L629 L632 I633 D671 E672 I678 I679 I685 Y699 F700 L706	L629-L675 HydrophobicContact CD1-CD2 3.29Å; L632-L675 HydrophobicContact CB-CD2 4.22Å; L632-L675 HydrophobicContact CD1-CD2 4.13Å; I633-L675 HydrophobicContact CG2-CD1 4.44Å; I633-L675 HydrophobicContact CG2-CD2 4.03Å; D671-L675 WeakPolarHBondContact O-CG 3.5Å; D671-L675 PolarHBondContact O-N 3.17Å; E672-L675 CarbonylContact O-C 3.6Å; E672-L675 WeakPolarHBondContact O-CB 3.43Å; E672-L675 PolarHBondContact O-N 3.42Å; L675-I678 PolarHBondContact O-N 3.49Å; L675-I679 WeakPolarHBondContact O-CD1 3.49Å; L675-I679 VanDerWaalsContact O-CG1 3.25Å; L675-I679 WeakPolarHBondContact O-CG1 3.48Å; L675-I679 PolarHBondContact O-N 3.49Å; L675-I685 HydrophobicContact CD2-CD1 4.33Å; L675-Y699 HydrophobicContact CD1-CD1 4.37Å; L675-Y699 HydrophobicContact CD1-CD2 3.45Å; L675-Y699 VanDerWaalsContact CD1-CD2 3.45Å; L675-Y699 HydrophobicContact CD1-CE2 4.22Å; L675-Y699 HydrophobicContact CD1-CG 3.53Å; L675-F700 HydrophobicContact CB-CZ 4.41Å; L675-F700 HydrophobicContact CD1-CE2 3.84Å; L675-F700 HydrophobicContact CD1-CZ 4.01Å; L675-F700 HydrophobicContact CD2-CE2 4.45Å; L675-F700 HydrophobicContact CD2-CZ 4.27Å; L675-F700 HydrophobicContact CG-CZ 4.47Å; L675-L706 HydrophobicContact CB-CD2 4.02Å
676	A	98.3	Very high	97.1	Very high	4 Å²	4	45.4 Å²	45.4	3%	0.033	23%	0.232	C	C	.	.	H	α-helix	trans	-62	-51.2	172.6	0	0	0	0	0	112	E672 D673 H674 I678 I679 E680 L706 I709 L712	E672-A676 PolarHBondContact O-N 3.1Å; D673-A676 PolarHBondContact O-N 3.25Å; H674-A676 VanDerWaalsContact C-N 3.29Å; H674-A676 PolarHBondContact O-N 2.89Å; A676-I678 VanDerWaalsContact C-N 3.3Å; A676-I678 PolarHBondContact O-N 3.1Å; A676-I679 PolarHBondContact O-N 3.18Å; A676-I679 VanDerWaalsContact O-N 3.07Å; A676-E680 WeakPolarHBondContact O-CG 3.46Å; A676-E680 PolarHBondContact O-N 3.48Å; A676-L706 HydrophobicContact CB-CD1 3.75Å; A676-I709 HydrophobicContact CB-CB 4.45Å; A676-I709 HydrophobicContact CB-CD1 3.85Å; A676-I709 HydrophobicContact CB-CG2 3.89Å; A676-L712 HydrophobicContact CB-CD2 3.6Å
677	H	98	Very high	97.3	Very high	56 Å²	56	43.3 Å²	43.3	26%	0.259	22%	0.216	S	C	.	.	H	α-helix	trans	-60.4	-37.7	176.9	-71.4	122	0	0	0	112.9	F660 D673 H674 I679 E680 L681	F660-H677 HydrophobicContact CD1-CB 3.94Å; D673-H677 PolarHBondContact O-N 3.36Å; D673-H677 PolarHBondContact O-ND1 3.09Å; D673-H677 IonicContact OD2-CE1 3.75Å; D673-H677 PolarHBondContact OD2-CE1 2.95Å; D673-H677 IonicContact OD2-ND1 3.65Å; D673-H677 PolarHBondContact OD2-ND1 3.34Å; H674-H677 PolarHBondContact O-N 2.93Å; H677-I679 VanDerWaalsContact C-N 3.35Å; H677-E680 IonicContact CD2-OE2 2.71Å; H677-E680 PolarHBondContact O-N 3.07Å; H677-L681 WeakPolarHBondContact O-CB 3.3Å; H677-L681 PolarHBondContact O-N 3.12Å
678	I	98.3	Very high	97.4	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-59.9	-45.2	172.9	-72.3	167.2	0	0	0	110.6	L632 W644 F660 H674 L675 A676 L681 L682 I685 Y745	L632-I678 HydrophobicContact CD1-CD1 3.67Å; W644-I678 HydrophobicContact CH2-CD1 4.03Å; W644-I678 HydrophobicContact CH2-CG1 4.13Å; W644-I678 HydrophobicContact CH2-CG2 4.22Å; W644-I678 HydrophobicContact CZ2-CD1 3.72Å; W644-I678 HydrophobicContact CZ2-CG1 3.92Å; F660-I678 HydrophobicContact CD1-CG1 4.4Å; F660-I678 HydrophobicContact CE1-CG1 3.97Å; F660-I678 HydrophobicContact CE2-CG1 4.27Å; F660-I678 HydrophobicContact CZ-CG1 3.9Å; H674-I678 WeakPolarHBondContact O-CG1 3.27Å; H674-I678 PolarHBondContact O-N 3.35Å; L675-I678 PolarHBondContact O-N 3.49Å; A676-I678 VanDerWaalsContact C-N 3.3Å; A676-I678 PolarHBondContact O-N 3.1Å; I678-L681 PolarHBondContact O-N 3.21Å; I678-L682 WeakPolarHBondContact O-CB 3.45Å; I678-L682 PolarHBondContact O-N 2.84Å; I678-I685 HydrophobicContact CG2-CD1 4.19Å; I678-I685 HydrophobicContact CG2-CG1 4.37Å; I678-Y745 HydrophobicContact CG2-CE1 3.81Å
679	I	98	Very high	97.5	Very high	12 Å²	12	39.8 Å²	39.8	6%	0.062	20%	0.202	C	C	.	.	H	α-helix	trans	-70.8	-34.3	179.7	-65.8	163.1	0	0	0	112.3	L675 A676 H677 G683 I685 F700 L706 L712	L675-I679 WeakPolarHBondContact O-CD1 3.49Å; L675-I679 VanDerWaalsContact O-CG1 3.25Å; L675-I679 WeakPolarHBondContact O-CG1 3.48Å; L675-I679 PolarHBondContact O-N 3.49Å; A676-I679 PolarHBondContact O-N 3.18Å; A676-I679 VanDerWaalsContact O-N 3.07Å; H677-I679 VanDerWaalsContact C-N 3.35Å; I679-G683 VanDerWaalsContact CA-O 3.24Å; I679-G683 WeakPolarHBondContact CA-O 3.32Å; I679-G683 WeakPolarHBondContact CG2-O 3.28Å; I679-G683 CarbonylContact O-C 3.55Å; I679-G683 VanDerWaalsContact O-CA 3.28Å; I679-G683 WeakPolarHBondContact O-CA 3.42Å; I679-G683 PolarHBondContact O-N 2.76Å; I679-I685 HydrophobicContact CD1-CD1 4.02Å; I679-I685 HydrophobicContact CD1-CG1 4.44Å; I679-I685 HydrophobicContact CG1-CD1 3.77Å; I679-I685 HydrophobicContact CG1-CG1 3.86Å; I679-F700 HydrophobicContact CD1-CE1 4.27Å; I679-L706 HydrophobicContact CD1-CD1 4.08Å; I679-L706 HydrophobicContact CD1-CD2 4.41Å; I679-L706 HydrophobicContact CD1-CG 4.08Å; I679-L712 HydrophobicContact CB-CD1 4.29Å; I679-L712 HydrophobicContact CG2-CD1 3.6Å
680	E	97.8	Very high	97.5	Very high	39 Å²	39	36.7 Å²	36.7	18%	0.182	18%	0.183	C	C	.	.	H	α-helix	trans	-65.7	-37.9	175.1	-73	-175.9	157.9	0	0	112.1	A676 H677 L712 K713 P714 W715	A676-E680 WeakPolarHBondContact O-CG 3.46Å; A676-E680 PolarHBondContact O-N 3.48Å; H677-E680 IonicContact CD2-OE2 2.71Å; H677-E680 PolarHBondContact O-N 3.07Å; E680-L712 HydrophobicContact CG-CB 4.06Å; E680-L712 HydrophobicContact CG-CD2 4.11Å; E680-L712 WeakPolarHBondContact OE1-CA 3.14Å; E680-K713 PolarHBondContact OE1-N 2.97Å; E680-P714 CarbonylContact O-C 3.39Å; E680-P714 VanDerWaalsContact O-CA 3.3Å; E680-P714 WeakPolarHBondContact O-CA 3.33Å; E680-W715 PolarHBondContact O-N 2.69Å
681	L	97.9	Very high	97.4	Very high	19 Å²	19	34.2 Å²	34.2	10%	0.099	18%	0.178	C	C	.	.	H	α-helix	trans	-80.3	-41.9	-179.6	-173.7	75.3	0	0	0	113.2	L659 F660 H677 I678 N716 L717 V720	L659-L681 HydrophobicContact CD1-CD2 3.72Å; L659-L681 HydrophobicContact CD2-CD2 4.21Å; L659-L681 HydrophobicContact CG-CD2 4.08Å; F660-L681 HydrophobicContact CE1-CB 4.28Å; F660-L681 HydrophobicContact CE1-CD2 3.66Å; F660-L681 HydrophobicContact CZ-CD2 3.75Å; H677-L681 WeakPolarHBondContact O-CB 3.3Å; H677-L681 PolarHBondContact O-N 3.12Å; I678-L681 PolarHBondContact O-N 3.21Å; L681-N716 WeakPolarHBondContact O-CA 3.5Å; L681-L717 HydrophobicContact CD1-CB 3.98Å; L681-L717 HydrophobicContact CD1-CD1 4.4Å; L681-V720 HydrophobicContact CD1-CG2 4.5Å
682	L	96.9	Very high	97.3	Very high	43 Å²	43	36 Å²	36	23%	0.225	19%	0.193	C	C	.	.	H	α-helix	trans	-118.3	1.3	-165	-57.1	173.7	0	0	0	113.9	W644 I678 L743 Y745	W644-L682 HydrophobicContact CH2-CD1 4.35Å; I678-L682 WeakPolarHBondContact O-CB 3.45Å; I678-L682 PolarHBondContact O-N 2.84Å; L682-L743 HydrophobicContact CD1-CB 3.9Å; L682-L743 HydrophobicContact CD2-CB 4.45Å; L682-L743 HydrophobicContact CD2-CD1 4.46Å; L682-Y745 HydrophobicContact CB-CE1 4.09Å; L682-Y745 WeakPolarHBondContact CB-OH 3.5Å; L682-Y745 HydrophobicContact CD1-CE1 4.25Å; L682-Y745 PolarHBondContact O-OH 3.46Å
683	G	95.7	Very high	97.3	Very high	13 Å²	13	36.5 Å²	36.5	13%	0.134	20%	0.198	C	C	.	.			trans	85.5	-168.5	-178.9	0	0	0	0	0	114.3	I679 I685 Y745	I679-G683 VanDerWaalsContact CA-O 3.24Å; I679-G683 WeakPolarHBondContact CA-O 3.32Å; I679-G683 WeakPolarHBondContact CG2-O 3.28Å; I679-G683 CarbonylContact O-C 3.55Å; I679-G683 VanDerWaalsContact O-CA 3.28Å; I679-G683 WeakPolarHBondContact O-CA 3.42Å; I679-G683 PolarHBondContact O-N 2.76Å; G683-I685 PolarHBondContact O-N 3.48Å; G683-Y745 PolarHBondContact O-OH 2.86Å
684	P	96.2	Very high	97.2	Very high	77 Å²	77	42.8 Å²	42.8	50%	0.5	23%	0.225	S	C	.	.	P	Polyproline II helix	trans	-70.4	128.9	-175.9	29	-33.8	0	0	0	112
685	I	97.5	Very high	97.1	Very high	10 Å²	10	45.9 Å²	45.9	5%	0.051	24%	0.237	C	C	.	.	P	Polyproline II helix	trans	-63.8	128.7	173.2	-61.6	162	0	0	0	109	L629 L675 I678 I679 G683 R687 I689 A690 F700 Y745	L629-I685 HydrophobicContact CD1-CD1 3.79Å; L629-I685 HydrophobicContact CD2-CD1 4.12Å; L629-I685 HydrophobicContact CD2-CG1 4.19Å; L629-I685 HydrophobicContact CD2-CG2 3.89Å; L675-I685 HydrophobicContact CD2-CD1 4.33Å; I678-I685 HydrophobicContact CG2-CD1 4.19Å; I678-I685 HydrophobicContact CG2-CG1 4.37Å; I679-I685 HydrophobicContact CD1-CD1 4.02Å; I679-I685 HydrophobicContact CD1-CG1 4.44Å; I679-I685 HydrophobicContact CG1-CD1 3.77Å; I679-I685 HydrophobicContact CG1-CG1 3.86Å; G683-I685 PolarHBondContact O-N 3.48Å; I685-R687 PolarHBondContact O-N 3.18Å; I685-I689 HydrophobicContact CG2-CB 4.16Å; I685-I689 HydrophobicContact CG2-CG2 4.29Å; I685-A690 HydrophobicContact CB-CB 4.26Å; I685-A690 HydrophobicContact CG2-CB 3.83Å; I685-F700 HydrophobicContact CD1-CZ 3.95Å; I685-Y745 HydrophobicContact CG1-CD1 4.07Å; I685-Y745 HydrophobicContact CG1-CE1 3.69Å
686	P	97	Very high	97.1	Very high	50 Å²	50	46 Å²	46	33%	0.325	24%	0.238	S	C	.	.	P	Polyproline II helix	trans	-54.8	134.2	178.1	-28.4	35.3	0	0	0	112.7	N688 I689 A690 Y745	P686-N688 WeakPolarHBondContact CB-OD1 3.24Å; P686-N688 PolarHBondContact O-N 3.04Å; P686-I689 HydrophobicContact CB-CD1 4.12Å; P686-I689 HydrophobicContact CB-CG1 4.29Å; P686-I689 HydrophobicContact CG-CD1 4.08Å; P686-I689 WeakPolarHBondContact O-CA 3.43Å; P686-I689 PolarHBondContact O-N 3.46Å; P686-A690 PolarHBondContact O-N 3.42Å; P686-Y745 HydrophobicContact CG-CD2 4.06Å
687	R	96.9	Very high	96.9	Very high	153 Å²	153	55.9 Å²	55.9	58%	0.577	27%	0.274	S	S	*	.	H	α-helix	trans	-55.6	-31.2	-173.6	-177.8	171.6	-176.8	-91.3	0.7	114.1	I685 I689 L691 K702 A704	I685-R687 PolarHBondContact O-N 3.18Å; R687-I689 PolarHBondContact O-N 2.87Å; R687-L691 HydrophobicContact CG-CD1 3.69Å; R687-L691 HydrophobicContact CG-CG 4.27Å; R687-L691 WeakPolarHBondContact O-CB 3.33Å; R687-L691 WeakPolarHBondContact O-CG 3.47Å; R687-L691 PolarHBondContact O-N 3.31Å; R687-K702 PolarHBondContact NE-O 3.07Å; R687-K702 PolarHBondContact NH2-O 3.49Å; R687-A704 HydrophobicContact CB-CB 4.07Å; R687-A704 HydrophobicContact CG-CB 4Å
688	N	96.1	Very high	96.9	Very high	116 Å²	116	58.4 Å²	58.4	62%	0.62	29%	0.286	S	S	*	.	H	α-helix	trans	-73.7	-12.2	177	67.8	-73.5	0	0	0	114.1	P686	P686-N688 WeakPolarHBondContact CB-OD1 3.24Å; P686-N688 PolarHBondContact O-N 3.04Å
689	I	97.1	Very high	96.8	Very high	18 Å²	18	59.4 Å²	59.4	9%	0.092	29%	0.29	C	S	.	.	H	α-helix	trans	-105.2	-48.4	175.4	-52.8	175	0	0	0	108.9	L629 I633 I685 P686 R687 L691 S692 D746	L629-I689 HydrophobicContact CD2-CG2 4.14Å; I633-I689 HydrophobicContact CD1-CG2 4.49Å; I633-I689 WeakPolarHBondContact CD1-O 3.4Å; I685-I689 HydrophobicContact CG2-CB 4.16Å; I685-I689 HydrophobicContact CG2-CG2 4.29Å; P686-I689 HydrophobicContact CB-CD1 4.12Å; P686-I689 HydrophobicContact CB-CG1 4.29Å; P686-I689 HydrophobicContact CG-CD1 4.08Å; P686-I689 WeakPolarHBondContact O-CA 3.43Å; P686-I689 PolarHBondContact O-N 3.46Å; R687-I689 PolarHBondContact O-N 2.87Å; I689-L691 PolarHBondContact O-N 2.8Å; I689-S692 PolarHBondContact O-N 2.91Å; I689-S692 PolarHBondContact O-OG 3.1Å; I689-D746 HydrophobicContact CD1-CB 3.86Å
690	A	97.4	Very high	96.8	Very high	0 Å²	0	58.9 Å²	58.9	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-54.6	-28.6	177.5	0	0	0	0	0	113.1	I685 P686 S696 F700 A704	I685-A690 HydrophobicContact CB-CB 4.26Å; I685-A690 HydrophobicContact CG2-CB 3.83Å; P686-A690 PolarHBondContact O-N 3.42Å; A690-S696 WeakPolarHBondContact O-CB 3.16Å; A690-S696 PolarHBondContact O-OG 3.41Å; A690-F700 HydrophobicContact CB-CD1 4.29Å; A690-F700 HydrophobicContact CB-CD2 4.3Å; A690-F700 HydrophobicContact CB-CE1 4.2Å; A690-F700 HydrophobicContact CB-CE2 4.22Å; A690-F700 HydrophobicContact CB-CG 4.35Å; A690-F700 HydrophobicContact CB-CZ 4.17Å; A690-F700 WeakPolarHBondContact O-CD2 3.34Å; A690-A704 HydrophobicContact CB-CB 3.66Å
691	L	96.7	Very high	96.7	Very high	62 Å²	62	59 Å²	59	33%	0.325	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.6	11.6	-179.9	-53.5	-178.3	0	0	0	114.7	R687 I689 F700 A704	R687-L691 HydrophobicContact CG-CD1 3.69Å; R687-L691 HydrophobicContact CG-CG 4.27Å; R687-L691 WeakPolarHBondContact O-CB 3.33Å; R687-L691 WeakPolarHBondContact O-CG 3.47Å; R687-L691 PolarHBondContact O-N 3.31Å; I689-L691 PolarHBondContact O-N 2.8Å; L691-F700 HydrophobicContact CD2-CB 3.82Å; L691-A704 HydrophobicContact CG-CB 4.36Å
692	S	95.8	Very high	96.5	Very high	67 Å²	67	66.9 Å²	66.9	47%	0.469	32%	0.323	S	S	.	.	S	Bend	trans	-88.8	-13.1	177.9	62.8	0	0	0	0	114.7	S635 I689	S635-S692 VanDerWaalsContact OG-C 3.26Å; S635-S692 PolarHBondContact OG-O 3.11Å; S635-S692 PolarHBondContact OG-OG 2.61Å; I689-S692 PolarHBondContact O-N 2.91Å; I689-S692 PolarHBondContact O-OG 3.1Å
693	G	96	Very high	96.4	Very high	12 Å²	12	73.9 Å²	73.9	12%	0.124	35%	0.346	C	S	.	.	S	Bend	trans	-88.6	152.1	-174.2	0	0	0	0	0	113.8	I633 S635 Y695 S696	I633-G693 CarbonylContact O-C 3.59Å; I633-G693 WeakPolarHBondContact O-CA 3.38Å; S635-G693 VanDerWaalsContact OG-CA 3.27Å; S635-G693 WeakPolarHBondContact OG-CA 3.4Å; S635-G693 PolarHBondContact OG-N 3.23Å; G693-Y695 VanDerWaalsContact C-N 3.27Å; G693-Y695 PolarHBondContact O-N 2.95Å; G693-S696 WeakPolarHBondContact CA-OG 3.48Å; G693-S696 PolarHBondContact N-OG 3.4Å; G693-S696 VanDerWaalsContact O-CB 3.25Å; G693-S696 WeakPolarHBondContact O-CB 3.14Å; G693-S696 PolarHBondContact O-N 2.74Å; G693-S696 PolarHBondContact O-OG 3.47Å
694	K	97.1	Very high	96.4	Very high	148 Å²	148	74.1 Å²	74.1	64%	0.643	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.5	-42.6	173.1	179.6	-175	167.9	-159.3	0	112.2	I633 G634	I633-K694 PolarHBondContact O-N 3.28Å; I633-K694 VanDerWaalsContact O-N 3.13Å; G634-K694 WeakPolarHBondContact O-CB 3.44Å; G634-K694 PolarHBondContact O-N 2.9Å
695	Y	96.7	Very high	96.4	Very high	64 Å²	64	73.4 Å²	73.4	25%	0.251	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.7	-3.8	-178	-47.2	-56.2	0	0	0	112.8	I633 G693 R697 E698 Y699	I633-Y695 WeakPolarHBondContact O-CB 3.4Å; I633-Y695 PolarHBondContact O-N 2.75Å; G693-Y695 VanDerWaalsContact C-N 3.27Å; G693-Y695 PolarHBondContact O-N 2.95Å; Y695-R697 PolarHBondContact O-N 3.4Å; Y695-E698 WeakPolarHBondContact CD1-OE1 3.3Å; Y695-E698 WeakPolarHBondContact O-CB 3.47Å; Y695-E698 PolarHBondContact O-N 3.4Å; Y695-Y699 WeakPolarHBondContact O-CD2 3.4Å
696	S	97.3	Very high	96.4	Very high	3 Å²	3	73.4 Å²	73.4	2%	0.021	34%	0.343	C	S	.	.	H	α-helix	trans	-50.7	-32.3	-179.1	-76.3	0	0	0	0	114.1	A690 G693 E698 F700	A690-S696 WeakPolarHBondContact O-CB 3.16Å; A690-S696 PolarHBondContact O-OG 3.41Å; G693-S696 WeakPolarHBondContact CA-OG 3.48Å; G693-S696 PolarHBondContact N-OG 3.4Å; G693-S696 VanDerWaalsContact O-CB 3.25Å; G693-S696 WeakPolarHBondContact O-CB 3.14Å; G693-S696 PolarHBondContact O-N 2.74Å; G693-S696 PolarHBondContact O-OG 3.47Å; S696-E698 VanDerWaalsContact C-N 3.29Å; S696-E698 PolarHBondContact O-N 3.01Å; S696-F700 WeakPolarHBondContact O-CB 3.36Å; S696-F700 PolarHBondContact O-N 2.81Å
697	R	95.6	Very high	96.4	Very high	211 Å²	211	76.1 Å²	76.1	80%	0.796	35%	0.347	S	S	*	.	H	α-helix	trans	-70.4	-23.5	179.9	-65.5	-175.7	-179.2	-172.9	1.3	113.5	Y695 R707	Y695-R697 PolarHBondContact O-N 3.4Å; R697-R707 VanDerWaalsContact O-CZ 3.31Å; R697-R707 PolarHBondContact O-NE 2.94Å; R697-R707 PolarHBondContact O-NH2 2.97Å; R697-R707 VanDerWaalsContact O-NH2 3.1Å
698	E	96.3	Very high	96.4	Very high	109 Å²	109	73.3 Å²	73.3	51%	0.509	34%	0.34	S	S	.	.	H	α-helix	trans	-78	-32.5	-179.4	-63.8	165.6	-133.3	0	0	111.3	Y695 S696 R707	Y695-E698 WeakPolarHBondContact CD1-OE1 3.3Å; Y695-E698 WeakPolarHBondContact O-CB 3.47Å; Y695-E698 PolarHBondContact O-N 3.4Å; S696-E698 VanDerWaalsContact C-N 3.29Å; S696-E698 PolarHBondContact O-N 3.01Å; E698-R707 WeakPolarHBondContact O-CD 3.25Å
699	Y	96.9	Very high	96.4	Very high	21 Å²	21	68.9 Å²	68.9	8%	0.082	32%	0.316	C	S	.	.	H	α-helix	trans	-100.2	-34.7	-178.3	-45.2	-53.9	0	0	0	113.5	L632 D671 E672 L675 Y695 L706 R707	L632-Y699 WeakPolarHBondContact O-CE2 3.5Å; D671-Y699 HydrophobicContact CB-CE1 3.82Å; D671-Y699 WeakPolarHBondContact CB-OH 3.19Å; E672-Y699 HydrophobicContact CB-CD1 4.03Å; E672-Y699 HydrophobicContact CG-CD1 4.49Å; L675-Y699 HydrophobicContact CD1-CD1 4.37Å; L675-Y699 HydrophobicContact CD1-CD2 3.45Å; L675-Y699 VanDerWaalsContact CD1-CD2 3.45Å; L675-Y699 HydrophobicContact CD1-CE2 4.22Å; L675-Y699 HydrophobicContact CD1-CG 3.53Å; Y695-Y699 WeakPolarHBondContact O-CD2 3.4Å; Y699-L706 WeakPolarHBondContact O-CA 3.28Å; Y699-R707 WeakPolarHBondContact O-CG 3.44Å; Y699-R707 PolarHBondContact O-N 2.85Å
700	F	97.7	Very high	96.2	Very high	1 Å²	1	75.2 Å²	75.2	0%	0.004	35%	0.345	C	S	.	.	B	Isolated β-bridge	trans	-113.5	145.4	-172.5	-61	-78.8	0	0	0	113.8	I633 L675 I679 I685 A690 L691 S696 C705 L706 R707	I633-F700 HydrophobicContact CG2-CE2 4.08Å; L675-F700 HydrophobicContact CB-CZ 4.41Å; L675-F700 HydrophobicContact CD1-CE2 3.84Å; L675-F700 HydrophobicContact CD1-CZ 4.01Å; L675-F700 HydrophobicContact CD2-CE2 4.45Å; L675-F700 HydrophobicContact CD2-CZ 4.27Å; L675-F700 HydrophobicContact CG-CZ 4.47Å; I679-F700 HydrophobicContact CD1-CE1 4.27Å; I685-F700 HydrophobicContact CD1-CZ 3.95Å; A690-F700 HydrophobicContact CB-CD1 4.29Å; A690-F700 HydrophobicContact CB-CD2 4.3Å; A690-F700 HydrophobicContact CB-CE1 4.2Å; A690-F700 HydrophobicContact CB-CE2 4.22Å; A690-F700 HydrophobicContact CB-CG 4.35Å; A690-F700 HydrophobicContact CB-CZ 4.17Å; A690-F700 WeakPolarHBondContact O-CD2 3.34Å; L691-F700 HydrophobicContact CD2-CB 3.82Å; S696-F700 WeakPolarHBondContact O-CB 3.36Å; S696-F700 PolarHBondContact O-N 2.81Å; F700-C705 WeakPolarHBondContact CA-O 3.43Å; F700-L706 HydrophobicContact CD1-CD2 3.84Å; F700-L706 HydrophobicContact CE1-CD2 3.45Å; F700-L706 VanDerWaalsContact CE1-CD2 3.45Å; F700-L706 HydrophobicContact CE1-CG 4.26Å; F700-L706 HydrophobicContact CZ-CD2 3.92Å; F700-R707 VanDerWaalsContact O-CZ 3.3Å; F700-R707 PolarHBondContact O-NE 3.29Å; F700-R707 VanDerWaalsContact O-NE 3.1Å; F700-R707 PolarHBondContact O-NH2 3.45Å
701	D	95.8	Very high	96.1	Very high	42 Å²	42	86 Å²	86	23%	0.225	39%	0.386	C	S	.	.			trans	-80.4	-178.5	168.7	89.1	-28.9	0	0	0	112.6	R703 A704 C705	D701-R703 PolarHBondContact O-N 3.01Å; D701-R703 VanDerWaalsContact O-N 3.1Å; D701-R703 VanDerWaalsContact OD1-CA 3.27Å; D701-R703 WeakPolarHBondContact OD1-CA 3.49Å; D701-R703 VanDerWaalsContact OD1-CB 3.29Å; D701-R703 WeakPolarHBondContact OD1-CB 3.34Å; D701-R703 PolarHBondContact OD1-N 3.37Å; D701-R703 WeakPolarHBondContact OD2-CB 3.25Å; D701-R703 WeakPolarHBondContact OD2-CD 3.24Å; D701-R703 WeakPolarHBondContact OD2-CG 3.36Å; D701-A704 PolarHBondContact O-N 3.27Å; D701-A704 PolarHBondContact OD1-N 3.36Å; D701-C705 PolarHBondContact N-O 3.22Å; D701-C705 PolarHBondContact OD1-N 3.01Å
702	K	94.5	Very high	96	Very high	184 Å²	184	85.6 Å²	85.6	80%	0.8	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.3	-17.1	177.8	-67	-178.2	179.9	177.7	0	113.6	R687	R687-K702 PolarHBondContact NE-O 3.07Å; R687-K702 PolarHBondContact NH2-O 3.49Å
703	R	94.6	Very high	96	Very high	190 Å²	190	89.9 Å²	89.9	72%	0.717	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97	-3.5	-177.9	-53.4	168	63.6	-178.6	0.3	112.8	D701	D701-R703 PolarHBondContact O-N 3.01Å; D701-R703 VanDerWaalsContact O-N 3.1Å; D701-R703 VanDerWaalsContact OD1-CA 3.27Å; D701-R703 WeakPolarHBondContact OD1-CA 3.49Å; D701-R703 VanDerWaalsContact OD1-CB 3.29Å; D701-R703 WeakPolarHBondContact OD1-CB 3.34Å; D701-R703 PolarHBondContact OD1-N 3.37Å; D701-R703 WeakPolarHBondContact OD2-CB 3.25Å; D701-R703 WeakPolarHBondContact OD2-CD 3.24Å; D701-R703 WeakPolarHBondContact OD2-CG 3.36Å
704	A	94.9	Very high	96	Very high	18 Å²	18	92.8 Å²	92.8	15%	0.149	41%	0.41	C	S	.	.	S	Bend	trans	65.9	30.8	-169.3	0	0	0	0	0	114.7	R687 A690 L691 D701	R687-A704 HydrophobicContact CB-CB 4.07Å; R687-A704 HydrophobicContact CG-CB 4Å; A690-A704 HydrophobicContact CB-CB 3.66Å; L691-A704 HydrophobicContact CG-CB 4.36Å; D701-A704 PolarHBondContact O-N 3.27Å; D701-A704 PolarHBondContact OD1-N 3.36Å
705	C	96.8	Very high	95.9	Very high	63 Å²	63	91.1 Å²	91.1	43%	0.426	40%	0.4	S	S	.	.			trans	-94.1	148.7	165.9	-60.9	0	0	0	0	110.5	F700 D701	F700-C705 WeakPolarHBondContact CA-O 3.43Å; D701-C705 PolarHBondContact N-O 3.22Å; D701-C705 PolarHBondContact OD1-N 3.01Å
706	L	97.5	Very high	95.9	Very high	10 Å²	10	91.4 Å²	91.4	5%	0.052	41%	0.406	C	S	.	.	B	Isolated β-bridge	trans	-67	140.7	175.4	-65	178.6	0	0	0	111.4	E672 L675 A676 I679 Y699 F700 I709 H710 L712	E672-L706 HydrophobicContact CG-CB 4.5Å; E672-L706 HydrophobicContact CG-CD1 4.47Å; E672-L706 HydrophobicContact CG-CD2 4Å; L675-L706 HydrophobicContact CB-CD2 4.02Å; A676-L706 HydrophobicContact CB-CD1 3.75Å; I679-L706 HydrophobicContact CD1-CD1 4.08Å; I679-L706 HydrophobicContact CD1-CD2 4.41Å; I679-L706 HydrophobicContact CD1-CG 4.08Å; Y699-L706 WeakPolarHBondContact O-CA 3.28Å; F700-L706 HydrophobicContact CD1-CD2 3.84Å; F700-L706 HydrophobicContact CE1-CD2 3.45Å; F700-L706 VanDerWaalsContact CE1-CD2 3.45Å; F700-L706 HydrophobicContact CE1-CG 4.26Å; F700-L706 HydrophobicContact CZ-CD2 3.92Å; L706-I709 HydrophobicContact CB-CB 4.42Å; L706-I709 HydrophobicContact CD1-CB 4.12Å; L706-H710 PolarHBondContact O-ND1 3.47Å; L706-L712 HydrophobicContact CD1-CD2 4.31Å
707	R	96.5	Very high	95.9	Very high	106 Å²	106	91.3 Å²	91.3	40%	0.4	41%	0.405	S	S	.	.	S	Bend	trans	-76.1	-35.7	-169.7	-77.6	-176	-179.4	-79.5	-6.2	114.9	E672 R697 E698 Y699 F700 H710	E672-R707 PolarHBondContact OE1-N 2.93Å; R697-R707 VanDerWaalsContact O-CZ 3.31Å; R697-R707 PolarHBondContact O-NE 2.94Å; R697-R707 PolarHBondContact O-NH2 2.97Å; R697-R707 VanDerWaalsContact O-NH2 3.1Å; E698-R707 WeakPolarHBondContact O-CD 3.25Å; Y699-R707 WeakPolarHBondContact O-CG 3.44Å; Y699-R707 PolarHBondContact O-N 2.85Å; F700-R707 VanDerWaalsContact O-CZ 3.3Å; F700-R707 PolarHBondContact O-NE 3.29Å; F700-R707 VanDerWaalsContact O-NE 3.1Å; F700-R707 PolarHBondContact O-NH2 3.45Å; R707-H710 PolarHBondContact O-CE1 3.31Å
708	H	96.9	Very high	96	Very high	94 Å²	94	84.6 Å²	84.6	44%	0.435	38%	0.382	S	S	.	.	S	Bend	trans	-119.1	-32.3	-174.1	-45.9	105.4	0	0	0	110.1	E672 H710	E672-H708 IonicContact OE1-CG 2.98Å; E672-H708 PolarHBondContact OE1-N 2.95Å; E672-H708 IonicContact OE1-ND1 3.54Å; E672-H708 IonicContact OE2-CE1 2.7Å; E672-H708 IonicContact OE2-CG 3.09Å; E672-H708 IonicContact OE2-ND1 3.59Å; E672-H708 PolarHBondContact OE2-ND1 3.1Å; H708-H710 PolarHBondContact O-N 2.96Å
709	I	96.1	Very high	96.1	Very high	23 Å²	23	81.7 Å²	81.7	12%	0.118	37%	0.37	C	S	.	.			trans	-89.9	84.8	178.5	-51.3	179.4	0	0	0	111.7	Y668 E672 D673 A676 L706 L712	Y668-I709 HydrophobicContact CD1-CD1 4.41Å; Y668-I709 HydrophobicContact CD1-CG1 3.99Å; Y668-I709 HydrophobicContact CD2-CD1 3.61Å; Y668-I709 HydrophobicContact CD2-CG1 4.06Å; Y668-I709 HydrophobicContact CE1-CG1 4.47Å; Y668-I709 HydrophobicContact CE2-CD1 3.96Å; Y668-I709 HydrophobicContact CG-CD1 3.84Å; Y668-I709 HydrophobicContact CG-CG1 3.74Å; E672-I709 HydrophobicContact CB-CD1 4.23Å; E672-I709 HydrophobicContact CG-CD1 4.01Å; E672-I709 HydrophobicContact CG-CG1 4.21Å; E672-I709 PolarHBondContact OE1-N 2.89Å; D673-I709 HydrophobicContact CB-CD1 4.09Å; A676-I709 HydrophobicContact CB-CB 4.45Å; A676-I709 HydrophobicContact CB-CD1 3.85Å; A676-I709 HydrophobicContact CB-CG2 3.89Å; L706-I709 HydrophobicContact CB-CB 4.42Å; L706-I709 HydrophobicContact CD1-CB 4.12Å; I709-L712 HydrophobicContact CG2-CD2 3.95Å
710	H	93.5	Very high	96.1	Very high	151 Å²	151	81.4 Å²	81.4	70%	0.699	37%	0.37	S	S	*	.			trans	-89.1	-9	-179.6	-55.9	-34	0	0	0	115.7	L706 R707 H708	L706-H710 PolarHBondContact O-ND1 3.47Å; R707-H710 PolarHBondContact O-CE1 3.31Å; H708-H710 PolarHBondContact O-N 2.96Å
711	R	94.3	Very high	96.1	Very high	228 Å²	228	81.3 Å²	81.3	86%	0.86	37%	0.37	S	S	*	.			trans	-118.4	61.7	-169.4	-71.4	-171.8	176.2	-178.8	1.6	113.4
712	L	94.8	Very high	96.2	Very high	53 Å²	53	80.7 Å²	80.7	28%	0.277	37%	0.368	S	S	.	.			trans	-68.6	150.4	175.3	-56.3	171.7	0	0	0	112	A676 I679 E680 L706 I709	A676-L712 HydrophobicContact CB-CD2 3.6Å; I679-L712 HydrophobicContact CB-CD1 4.29Å; I679-L712 HydrophobicContact CG2-CD1 3.6Å; E680-L712 HydrophobicContact CG-CB 4.06Å; E680-L712 HydrophobicContact CG-CD2 4.11Å; E680-L712 WeakPolarHBondContact OE1-CA 3.14Å; L706-L712 HydrophobicContact CD1-CD2 4.31Å; I709-L712 HydrophobicContact CG2-CD2 3.95Å
713	K	95.6	Very high	96.3	Very high	157 Å²	157	77.2 Å²	77.2	68%	0.683	35%	0.354	S	S	*	.			trans	-126.5	82.1	179	-57.7	176	-157.1	110.7	0	109.8	E680 W715	E680-K713 PolarHBondContact OE1-N 2.97Å; K713-W715 PolarHBondContact O-N 2.71Å
714	P	96.6	Very high	96.4	Very high	72 Å²	72	71.7 Å²	71.7	47%	0.468	34%	0.335	S	S	.	.			trans	-56.2	125.7	-177.8	-26.4	35.5	0	0	0	112.8	E680 F781	E680-P714 CarbonylContact O-C 3.39Å; E680-P714 VanDerWaalsContact O-CA 3.3Å; E680-P714 WeakPolarHBondContact O-CA 3.33Å; P714-F781 HydrophobicContact CB-CD2 4.41Å; P714-F781 HydrophobicContact CB-CE2 4.1Å; P714-F781 HydrophobicContact CG-CD2 4.07Å; P714-F781 HydrophobicContact CG-CE1 4.39Å; P714-F781 HydrophobicContact CG-CE2 3.84Å; P714-F781 HydrophobicContact CG-CG 4.44Å; P714-F781 HydrophobicContact CG-CZ 4Å
715	W	96.3	Very high	96.5	Very high	113 Å²	113	73 Å²	73	43%	0.428	34%	0.337	S	S	.	.			trans	-145.5	93.3	178.3	-162.5	19.8	0	0	0	107.9	E680 K713 V720 E723 K724	E680-W715 PolarHBondContact O-N 2.69Å; K713-W715 PolarHBondContact O-N 2.71Å; W715-V720 HydrophobicContact CB-CG2 4.18Å; W715-V720 HydrophobicContact CD2-CG2 3.6Å; W715-V720 HydrophobicContact CE3-CG2 3.95Å; W715-V720 HydrophobicContact CG-CG2 3.67Å; W715-V720 WeakPolarHBondContact O-CG2 3.39Å; W715-E723 HydrophobicContact CZ2-CB 4.08Å; W715-E723 PolarHBondContact NE1-OE2 3.29Å; W715-K724 HydrophobicContact CH2-CB 3.82Å; W715-K724 HydrophobicContact CH2-CD 4.46Å; W715-K724 HydrophobicContact CH2-CG 4.19Å; W715-K724 HydrophobicContact CZ2-CB 4.1Å
716	N	96.2	Very high	96.5	Very high	70 Å²	70	77 Å²	77	37%	0.374	35%	0.354	S	S	.	.			trans	-65.9	160.2	-172.2	72.4	59.9	0	0	0	112.3	L681 F718 N719 V720	L681-N716 WeakPolarHBondContact O-CA 3.5Å; N716-F718 VanDerWaalsContact C-N 3.31Å; N716-F718 PolarHBondContact O-N 3.06Å; N716-F718 WeakPolarHBondContact OD1-CB 3.47Å; N716-F718 PolarHBondContact OD1-N 3.23Å; N716-F718 VanDerWaalsContact OD1-N 3.1Å; N716-N719 PolarHBondContact ND2-OD1 3.02Å; N716-N719 PolarHBondContact O-N 3.06Å; N716-N719 VanDerWaalsContact O-N 3.15Å; N716-N719 PolarHBondContact OD1-N 3.3Å; N716-N719 PolarHBondContact OD1-OD1 3.16Å; N716-N719 VanDerWaalsContact OD1-OD1 3.08Å; N716-V720 WeakPolarHBondContact O-CG2 3.3Å; N716-V720 PolarHBondContact O-N 2.71Å
717	L	96.8	Very high	96.5	Very high	1 Å²	1	77.9 Å²	77.9	1%	0.005	36%	0.356	C	S	.	.	H	α-helix	trans	-55.8	-39.8	-175	-179.4	57.4	0	0	0	113.9	F651 L659 L681 V720 L721 T736 L739	F651-L717 HydrophobicContact CD2-CD1 3.89Å; F651-L717 HydrophobicContact CE2-CD1 3.78Å; L659-L717 HydrophobicContact CD1-CD1 4.39Å; L681-L717 HydrophobicContact CD1-CB 3.98Å; L681-L717 HydrophobicContact CD1-CD1 4.4Å; L717-V720 PolarHBondContact O-N 3.16Å; L717-L721 HydrophobicContact CD1-CD1 4.2Å; L717-L721 HydrophobicContact CD1-CG 4.29Å; L717-L721 HydrophobicContact CG-CD1 4.22Å; L717-L721 VanDerWaalsContact O-CG 3.3Å; L717-L721 WeakPolarHBondContact O-CG 3.27Å; L717-L721 PolarHBondContact O-N 3.47Å; L717-T736 HydrophobicContact CB-CG2 4.24Å; L717-T736 HydrophobicContact CD2-CG2 4.25Å; L717-T736 HydrophobicContact CG-CG2 4.31Å; L717-L739 HydrophobicContact CD2-CB 3.75Å; L717-L739 HydrophobicContact CD2-CD1 3.97Å; L717-L739 HydrophobicContact CD2-CG 4.48Å
718	F	97.9	Very high	96.6	Very high	70 Å²	70	75.8 Å²	75.8	31%	0.307	36%	0.357	S	S	.	.	H	α-helix	trans	-65.6	-45.6	177.8	173.3	-94.2	0	0	0	112.3	N716 L721 T722 P729 A732 A733 T736	N716-F718 VanDerWaalsContact C-N 3.31Å; N716-F718 PolarHBondContact O-N 3.06Å; N716-F718 WeakPolarHBondContact OD1-CB 3.47Å; N716-F718 PolarHBondContact OD1-N 3.23Å; N716-F718 VanDerWaalsContact OD1-N 3.1Å; F718-L721 PolarHBondContact O-N 3.28Å; F718-T722 HydrophobicContact CE1-CG2 4.3Å; F718-T722 HydrophobicContact CE2-CG2 4.1Å; F718-T722 HydrophobicContact CZ-CG2 3.98Å; F718-T722 PolarHBondContact O-N 2.81Å; F718-T722 PolarHBondContact O-OG1 3.28Å; F718-P729 HydrophobicContact CE2-CB 4.45Å; F718-P729 WeakPolarHBondContact CE2-O 3.33Å; F718-P729 HydrophobicContact CZ-CB 4.16Å; F718-A732 HydrophobicContact CD2-CB 3.97Å; F718-A732 HydrophobicContact CE2-CB 4.04Å; F718-A733 HydrophobicContact CD2-CB 4.21Å; F718-A733 HydrophobicContact CE2-CB 3.97Å; F718-T736 HydrophobicContact CB-CG2 4.24Å
719	N	97.4	Very high	96.5	Very high	49 Å²	49	75.3 Å²	75.3	26%	0.262	36%	0.362	S	S	.	.	H	α-helix	trans	-64.7	-40.5	174.7	-76	61.7	0	0	0	111	N716 L721 T722 E723	N716-N719 PolarHBondContact ND2-OD1 3.02Å; N716-N719 PolarHBondContact O-N 3.06Å; N716-N719 VanDerWaalsContact O-N 3.15Å; N716-N719 PolarHBondContact OD1-N 3.3Å; N716-N719 PolarHBondContact OD1-OD1 3.16Å; N716-N719 VanDerWaalsContact OD1-OD1 3.08Å; N719-L721 PolarHBondContact O-N 3.32Å; N719-T722 PolarHBondContact O-N 2.83Å; N719-T722 PolarHBondContact O-OG1 3.2Å; N719-E723 PolarHBondContact ND2-OE1 3.14Å; N719-E723 WeakPolarHBondContact O-CA 3.43Å; N719-E723 WeakPolarHBondContact O-CB 3.3Å; N719-E723 VanDerWaalsContact O-CG 3.28Å; N719-E723 WeakPolarHBondContact O-CG 3.19Å; N719-E723 PolarHBondContact O-N 3.3Å
720	V	97.2	Very high	96.5	Very high	14 Å²	14	78.9 Å²	78.9	9%	0.085	39%	0.389	C	S	.	.	H	α-helix	trans	-59.3	-47.2	174.7	168	0	0	0	0	111.1	F651 L681 W715 N716 L717 K724 Y725	F651-V720 HydrophobicContact CE2-CG1 4.34Å; F651-V720 HydrophobicContact CZ-CG1 4.17Å; L681-V720 HydrophobicContact CD1-CG2 4.5Å; W715-V720 HydrophobicContact CB-CG2 4.18Å; W715-V720 HydrophobicContact CD2-CG2 3.6Å; W715-V720 HydrophobicContact CE3-CG2 3.95Å; W715-V720 HydrophobicContact CG-CG2 3.67Å; W715-V720 WeakPolarHBondContact O-CG2 3.39Å; N716-V720 WeakPolarHBondContact O-CG2 3.3Å; N716-V720 PolarHBondContact O-N 2.71Å; L717-V720 PolarHBondContact O-N 3.16Å; V720-K724 HydrophobicContact CG1-CD 4.48Å; V720-K724 WeakPolarHBondContact O-CB 3.35Å; V720-K724 PolarHBondContact O-N 3.17Å; V720-Y725 HydrophobicContact CG1-CD2 4.36Å; V720-Y725 HydrophobicContact CG1-CE2 3.84Å; V720-Y725 WeakPolarHBondContact O-CD2 3.44Å
721	L	98	Very high	96.6	Very high	0 Å²	0	75.4 Å²	75.4	0%	0	37%	0.373	C	S	.	.	H	α-helix	trans	-62.2	-46.1	178.4	-70	168.7	0	0	0	112.2	F651 T655 L717 F718 N719 Y725 W727 A732 F735	F651-L721 HydrophobicContact CD2-CD2 4.44Å; F651-L721 HydrophobicContact CE2-CD2 4.12Å; T655-L721 HydrophobicContact CG2-CD2 4.28Å; L717-L721 HydrophobicContact CD1-CD1 4.2Å; L717-L721 HydrophobicContact CD1-CG 4.29Å; L717-L721 HydrophobicContact CG-CD1 4.22Å; L717-L721 VanDerWaalsContact O-CG 3.3Å; L717-L721 WeakPolarHBondContact O-CG 3.27Å; L717-L721 PolarHBondContact O-N 3.47Å; F718-L721 PolarHBondContact O-N 3.28Å; N719-L721 PolarHBondContact O-N 3.32Å; L721-Y725 HydrophobicContact CD2-CD2 4.41Å; L721-Y725 PolarHBondContact O-N 3.07Å; L721-W727 HydrophobicContact CB-CB 4.38Å; L721-W727 HydrophobicContact CB-CD2 4.43Å; L721-W727 HydrophobicContact CB-CE3 4.47Å; L721-W727 HydrophobicContact CB-CG 4.42Å; L721-W727 HydrophobicContact CD1-CE3 4.4Å; L721-W727 HydrophobicContact CD1-CZ3 4.48Å; L721-W727 HydrophobicContact CD2-CD2 3.98Å; L721-W727 HydrophobicContact CD2-CE3 4.05Å; L721-W727 HydrophobicContact CD2-CH2 4.23Å; L721-W727 HydrophobicContact CD2-CZ2 4.17Å; L721-W727 HydrophobicContact CD2-CZ3 4.18Å; L721-W727 WeakPolarHBondContact O-CB 3.46Å; L721-W727 PolarHBondContact O-N 3.08Å; L721-W727 VanDerWaalsContact O-N 3.15Å; L721-A732 HydrophobicContact CB-CB 3.74Å; L721-A732 HydrophobicContact CD1-CB 4.27Å; L721-F735 HydrophobicContact CD1-CB 4.45Å; L721-F735 HydrophobicContact CD1-CD1 3.88Å; L721-F735 HydrophobicContact CD2-CD1 4.23Å
722	T	97.6	Very high	96.7	Very high	29 Å²	29	64.5 Å²	64.5	18%	0.178	33%	0.332	C	S	.	.	H	α-helix	trans	-78.8	-33	-176.2	51.5	0	0	0	0	114.5	F718 N719 P729 A732	F718-T722 HydrophobicContact CE1-CG2 4.3Å; F718-T722 HydrophobicContact CE2-CG2 4.1Å; F718-T722 HydrophobicContact CZ-CG2 3.98Å; F718-T722 PolarHBondContact O-N 2.81Å; F718-T722 PolarHBondContact O-OG1 3.28Å; N719-T722 PolarHBondContact O-N 2.83Å; N719-T722 PolarHBondContact O-OG1 3.2Å; T722-P729 HydrophobicContact CG2-CB 4.41Å; T722-P729 HydrophobicContact CG2-CG 4.26Å; T722-A732 HydrophobicContact CG2-CB 3.57Å
723	E	97.4	Very high	96.8	Very high	110 Å²	110	63.6 Å²	63.6	51%	0.514	33%	0.332	S	S	.	.	H	α-helix	trans	-100.5	-26.9	-173.7	-58.6	171.5	-173.7	0	0	114.3	W715 N719	W715-E723 HydrophobicContact CZ2-CB 4.08Å; W715-E723 PolarHBondContact NE1-OE2 3.29Å; N719-E723 PolarHBondContact ND2-OE1 3.14Å; N719-E723 WeakPolarHBondContact O-CA 3.43Å; N719-E723 WeakPolarHBondContact O-CB 3.3Å; N719-E723 VanDerWaalsContact O-CG 3.28Å; N719-E723 WeakPolarHBondContact O-CG 3.19Å; N719-E723 PolarHBondContact O-N 3.3Å
724	K	97	Very high	96.9	Very high	74 Å²	74	58 Å²	58	32%	0.322	31%	0.309	S	S	.	.	H	α-helix	trans	-95.2	-36.6	178.3	-170.5	-169.1	161.9	-164.1	0	112.6	D657 W715 V720	D657-K724 IonicContact OD2-NZ 3.16Å; D657-K724 PolarHBondContact OD2-NZ 2.72Å; W715-K724 HydrophobicContact CH2-CB 3.82Å; W715-K724 HydrophobicContact CH2-CD 4.46Å; W715-K724 HydrophobicContact CH2-CG 4.19Å; W715-K724 HydrophobicContact CZ2-CB 4.1Å; V720-K724 HydrophobicContact CG1-CD 4.48Å; V720-K724 WeakPolarHBondContact O-CB 3.35Å; V720-K724 PolarHBondContact O-N 3.17Å
725	Y	97	Very high	96.9	Very high	46 Å²	46	54.6 Å²	54.6	18%	0.18	29%	0.287	C	S	.	.	S	Bend	trans	-114.2	5.6	-173.2	-54.2	-76.4	0	0	0	113.9	F651 T655 D657 V720 L721 W727	F651-Y725 HydrophobicContact CE2-CE2 4.19Å; F651-Y725 AromaticContact CZ-CE2 3.7Å; F651-Y725 HydrophobicContact CZ-CE2 3.7Å; F651-Y725 WeakPolarHBondContact CZ-OH 3.31Å; T655-Y725 HydrophobicContact CG2-CD1 4.32Å; T655-Y725 HydrophobicContact CG2-CD2 3.99Å; T655-Y725 HydrophobicContact CG2-CE1 4.1Å; T655-Y725 HydrophobicContact CG2-CE2 3.69Å; T655-Y725 HydrophobicContact CG2-CG 4.26Å; D657-Y725 HydrophobicContact CB-CE1 4.47Å; D657-Y725 VanDerWaalsContact CB-OH 3.23Å; D657-Y725 WeakPolarHBondContact CB-OH 3.3Å; V720-Y725 HydrophobicContact CG1-CD2 4.36Å; V720-Y725 HydrophobicContact CG1-CE2 3.84Å; V720-Y725 WeakPolarHBondContact O-CD2 3.44Å; L721-Y725 HydrophobicContact CD2-CD2 4.41Å; L721-Y725 PolarHBondContact O-N 3.07Å; Y725-W727 PolarHBondContact O-N 3.03Å
726	D	96.8	Very high	97	Very high	146 Å²	146	49.5 Å²	49.5	78%	0.781	27%	0.269	S	S	*	.			trans	56.8	27.7	178.9	-57.7	-61.1	0	0	0	114.3
727	W	97.1	Very high	97.1	Very high	29 Å²	29	47.1 Å²	47.1	11%	0.11	26%	0.257	C	S	.	.			trans	-65.9	145.9	-177.9	-81.9	32.1	0	0	0	113	L211 A654 T655 L721 Y725 E731 A732 F735	L211-W727 HydrophobicContact CD1-CH2 3.68Å; L211-W727 HydrophobicContact CD1-CZ2 4.15Å; L211-W727 HydrophobicContact CD1-CZ3 3.89Å; L211-W727 HydrophobicContact CD2-CH2 3.67Å; L211-W727 HydrophobicContact CD2-CZ2 3.86Å; L211-W727 HydrophobicContact CG-CH2 4.34Å; A654-W727 HydrophobicContact CB-CH2 3.86Å; A654-W727 HydrophobicContact CB-CZ2 3.84Å; T655-W727 HydrophobicContact CG2-CZ2 4.5Å; L721-W727 HydrophobicContact CB-CB 4.38Å; L721-W727 HydrophobicContact CB-CD2 4.43Å; L721-W727 HydrophobicContact CB-CE3 4.47Å; L721-W727 HydrophobicContact CB-CG 4.42Å; L721-W727 HydrophobicContact CD1-CE3 4.4Å; L721-W727 HydrophobicContact CD1-CZ3 4.48Å; L721-W727 HydrophobicContact CD2-CD2 3.98Å; L721-W727 HydrophobicContact CD2-CE3 4.05Å; L721-W727 HydrophobicContact CD2-CH2 4.23Å; L721-W727 HydrophobicContact CD2-CZ2 4.17Å; L721-W727 HydrophobicContact CD2-CZ3 4.18Å; L721-W727 WeakPolarHBondContact O-CB 3.46Å; L721-W727 PolarHBondContact O-N 3.08Å; L721-W727 VanDerWaalsContact O-N 3.15Å; Y725-W727 PolarHBondContact O-N 3.03Å; W727-E731 HydrophobicContact CE3-CB 4.5Å; W727-E731 HydrophobicContact CE3-CG 4.08Å; W727-E731 HydrophobicContact CZ3-CG 4.26Å; W727-A732 HydrophobicContact CB-CB 4.22Å; W727-A732 HydrophobicContact CE3-CB 4.48Å; W727-F735 AromaticContact CH2-CD1 3.44Å; W727-F735 HydrophobicContact CH2-CD1 3.44Å; W727-F735 VanDerWaalsContact CH2-CD1 3.44Å; W727-F735 AromaticContact CH2-CE1 3.74Å; W727-F735 HydrophobicContact CH2-CE1 3.74Å; W727-F735 HydrophobicContact CH2-CG 4.1Å; W727-F735 HydrophobicContact CZ3-CB 3.79Å; W727-F735 AromaticContact CZ3-CD1 3.45Å; W727-F735 HydrophobicContact CZ3-CD1 3.45Å; W727-F735 VanDerWaalsContact CZ3-CD1 3.45Å; W727-F735 HydrophobicContact CZ3-CE1 4.23Å; W727-F735 AromaticContact CZ3-CG 3.85Å; W727-F735 HydrophobicContact CZ3-CG 3.85Å
728	P	97.1	Very high	97.1	Very high	62 Å²	62	47.2 Å²	47.2	40%	0.403	26%	0.258	S	S	.	.			trans	-57.2	130	169.9	-21.9	32.6	0	0	0	111.1	S730 E731 A732	P728-S730 PolarHBondContact O-N 3.47Å; P728-S730 VanDerWaalsContact O-N 3.1Å; P728-E731 HydrophobicContact CB-CB 4.08Å; P728-E731 HydrophobicContact CG-CB 4.38Å; P728-E731 WeakPolarHBondContact O-CA 3.49Å; P728-E731 WeakPolarHBondContact O-CB 3.41Å; P728-E731 PolarHBondContact O-N 3.36Å; P728-A732 PolarHBondContact O-N 2.99Å
729	P	96.8	Very high	97.2	Very high	85 Å²	85	43.9 Å²	43.9	55%	0.552	24%	0.243	S	C	*	.	H	α-helix	trans	-55.5	-33.3	-176.9	-31.9	37.4	0	0	0	115.2	F718 T722 E731 A733	F718-P729 HydrophobicContact CE2-CB 4.45Å; F718-P729 WeakPolarHBondContact CE2-O 3.33Å; F718-P729 HydrophobicContact CZ-CB 4.16Å; T722-P729 HydrophobicContact CG2-CB 4.41Å; T722-P729 HydrophobicContact CG2-CG 4.26Å; P729-E731 VanDerWaalsContact C-N 3.31Å; P729-E731 PolarHBondContact O-N 3.02Å; P729-A733 VanDerWaalsContact O-CB 3.23Å; P729-A733 WeakPolarHBondContact O-CB 3.39Å; P729-A733 PolarHBondContact O-N 3.15Å
730	S	95.5	Very high	97.2	Very high	97 Å²	97	46.1 Å²	46.1	68%	0.678	25%	0.252	S	S	*	.	H	α-helix	trans	-65.9	-33.1	174.8	49.2	0	0	0	0	113.4	P728 L734	P728-S730 PolarHBondContact O-N 3.47Å; P728-S730 VanDerWaalsContact O-N 3.1Å; S730-L734 WeakPolarHBondContact O-CB 3.47Å; S730-L734 PolarHBondContact O-N 3.37Å
731	E	94.7	Very high	97.2	Very high	78 Å²	78	48.2 Å²	48.2	36%	0.364	27%	0.266	S	S	.	.	H	α-helix	trans	-81.5	-44.2	-178.7	-167.4	168.5	99.2	0	0	110.5	L211 W727 P728 P729 A733 L734 F735	L211-E731 HydrophobicContact CD1-CG 3.84Å; L211-E731 WeakPolarHBondContact CD1-OE1 3.41Å; W727-E731 HydrophobicContact CE3-CB 4.5Å; W727-E731 HydrophobicContact CE3-CG 4.08Å; W727-E731 HydrophobicContact CZ3-CG 4.26Å; P728-E731 HydrophobicContact CB-CB 4.08Å; P728-E731 HydrophobicContact CG-CB 4.38Å; P728-E731 WeakPolarHBondContact O-CA 3.49Å; P728-E731 WeakPolarHBondContact O-CB 3.41Å; P728-E731 PolarHBondContact O-N 3.36Å; P729-E731 VanDerWaalsContact C-N 3.31Å; P729-E731 PolarHBondContact O-N 3.02Å; E731-A733 VanDerWaalsContact C-N 3.35Å; E731-A733 PolarHBondContact O-N 3.34Å; E731-L734 PolarHBondContact O-N 2.85Å; E731-F735 WeakPolarHBondContact O-CB 3.3Å; E731-F735 PolarHBondContact O-N 3.44Å
732	A	97.4	Very high	97.3	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-57.9	-43.7	171	0	0	0	0	0	112.1	F718 L721 T722 W727 P728 F735 T736	F718-A732 HydrophobicContact CD2-CB 3.97Å; F718-A732 HydrophobicContact CE2-CB 4.04Å; L721-A732 HydrophobicContact CB-CB 3.74Å; L721-A732 HydrophobicContact CD1-CB 4.27Å; T722-A732 HydrophobicContact CG2-CB 3.57Å; W727-A732 HydrophobicContact CB-CB 4.22Å; W727-A732 HydrophobicContact CE3-CB 4.48Å; P728-A732 PolarHBondContact O-N 2.99Å; A732-F735 PolarHBondContact O-N 2.95Å; A732-T736 VanDerWaalsContact O-CB 3.22Å; A732-T736 WeakPolarHBondContact O-CB 3.45Å; A732-T736 PolarHBondContact O-N 3.02Å; A732-T736 PolarHBondContact O-OG1 3.37Å
733	A	97.3	Very high	97.3	Very high	34 Å²	34	47 Å²	47	28%	0.281	26%	0.258	S	S	.	.	H	α-helix	trans	-64.1	-42	176.8	0	0	0	0	0	112.8	F718 P729 E731 T736 S737	F718-A733 HydrophobicContact CD2-CB 4.21Å; F718-A733 HydrophobicContact CE2-CB 3.97Å; P729-A733 VanDerWaalsContact O-CB 3.23Å; P729-A733 WeakPolarHBondContact O-CB 3.39Å; P729-A733 PolarHBondContact O-N 3.15Å; E731-A733 VanDerWaalsContact C-N 3.35Å; E731-A733 PolarHBondContact O-N 3.34Å; A733-T736 PolarHBondContact O-N 3.43Å; A733-S737 WeakPolarHBondContact O-CB 3.21Å; A733-S737 PolarHBondContact O-N 3.24Å; A733-S737 PolarHBondContact O-OG 2.82Å; A733-S737 VanDerWaalsContact O-OG 3.06Å
734	L	96.2	Very high	97.4	Very high	39 Å²	39	43 Å²	43	20%	0.204	24%	0.244	C	C	.	.	H	α-helix	trans	-72.9	-28.8	-179.5	-174.4	54.5	0	0	0	113	S730 E731 S737 F738 W761 Y767	S730-L734 WeakPolarHBondContact O-CB 3.47Å; S730-L734 PolarHBondContact O-N 3.37Å; E731-L734 PolarHBondContact O-N 2.85Å; L734-S737 PolarHBondContact O-OG 2.96Å; L734-F738 PolarHBondContact O-N 3.43Å; L734-W761 HydrophobicContact CD1-CB 4.25Å; L734-W761 HydrophobicContact CG-CB 4.05Å; L734-W761 HydrophobicContact CG-CG 4.43Å; L734-Y767 HydrophobicContact CD1-CD2 3.6Å; L734-Y767 HydrophobicContact CD1-CE2 4.36Å; L734-Y767 HydrophobicContact CD1-CG 3.71Å
735	F	97.8	Very high	97.4	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-81	-35.8	173.4	-167.3	-133.6	0	0	0	112	A650 A654 L721 W727 E731 A732 F738 L739 W761	A650-F735 HydrophobicContact CB-CE2 4.41Å; A650-F735 HydrophobicContact CB-CZ 4.27Å; A654-F735 HydrophobicContact CB-CE1 3.78Å; A654-F735 HydrophobicContact CB-CZ 3.79Å; L721-F735 HydrophobicContact CD1-CB 4.45Å; L721-F735 HydrophobicContact CD1-CD1 3.88Å; L721-F735 HydrophobicContact CD2-CD1 4.23Å; W727-F735 AromaticContact CH2-CD1 3.44Å; W727-F735 HydrophobicContact CH2-CD1 3.44Å; W727-F735 VanDerWaalsContact CH2-CD1 3.44Å; W727-F735 AromaticContact CH2-CE1 3.74Å; W727-F735 HydrophobicContact CH2-CE1 3.74Å; W727-F735 HydrophobicContact CH2-CG 4.1Å; W727-F735 HydrophobicContact CZ3-CB 3.79Å; W727-F735 AromaticContact CZ3-CD1 3.45Å; W727-F735 HydrophobicContact CZ3-CD1 3.45Å; W727-F735 VanDerWaalsContact CZ3-CD1 3.45Å; W727-F735 HydrophobicContact CZ3-CE1 4.23Å; W727-F735 AromaticContact CZ3-CG 3.85Å; W727-F735 HydrophobicContact CZ3-CG 3.85Å; E731-F735 WeakPolarHBondContact O-CB 3.3Å; E731-F735 PolarHBondContact O-N 3.44Å; A732-F735 PolarHBondContact O-N 2.95Å; F735-F738 HydrophobicContact CD2-CD1 4.18Å; F735-F738 HydrophobicContact CE2-CD1 4.2Å; F735-F738 WeakPolarHBondContact O-CB 3.44Å; F735-F738 PolarHBondContact O-N 3.07Å; F735-L739 HydrophobicContact CD1-CD1 3.98Å; F735-L739 HydrophobicContact CD2-CD1 4.34Å; F735-L739 HydrophobicContact CD2-CG 4.34Å; F735-L739 HydrophobicContact CE1-CD1 3.64Å; F735-L739 HydrophobicContact CE2-CD1 4.02Å; F735-L739 HydrophobicContact CE2-CD2 4.3Å; F735-L739 HydrophobicContact CE2-CG 4.16Å; F735-L739 HydrophobicContact CG-CD1 4.33Å; F735-L739 HydrophobicContact CZ-CD1 3.67Å; F735-L739 HydrophobicContact CZ-CD2 4.47Å; F735-L739 HydrophobicContact CZ-CG 4.29Å; F735-L739 WeakPolarHBondContact O-CG 3.45Å; F735-L739 PolarHBondContact O-N 3.24Å; F735-W761 HydrophobicContact CD2-CD2 4.11Å; F735-W761 AromaticContact CD2-CE2 3.54Å; F735-W761 HydrophobicContact CD2-CH2 4.29Å; F735-W761 AromaticContact CD2-CZ2 3.67Å; F735-W761 HydrophobicContact CD2-CZ2 3.67Å; F735-W761 AromaticContact CD2-NE1 3.65Å; F735-W761 AromaticContact CE2-CE2 3.96Å; F735-W761 AromaticContact CE2-CH2 3.86Å; F735-W761 HydrophobicContact CE2-CH2 3.86Å; F735-W761 AromaticContact CE2-CZ2 3.58Å; F735-W761 HydrophobicContact CE2-CZ2 3.58Å; F735-W761 HydrophobicContact CE2-CZ3 4.44Å
736	T	98.1	Very high	97.4	Very high	7 Å²	7	40.3 Å²	40.3	4%	0.043	23%	0.234	C	C	.	.	H	α-helix	trans	-60.9	-49.6	172.7	-59.8	0	0	0	0	110.9	L717 F718 A732 A733 F738 L739 E740	L717-T736 HydrophobicContact CB-CG2 4.24Å; L717-T736 HydrophobicContact CD2-CG2 4.25Å; L717-T736 HydrophobicContact CG-CG2 4.31Å; F718-T736 HydrophobicContact CB-CG2 4.24Å; A732-T736 VanDerWaalsContact O-CB 3.22Å; A732-T736 WeakPolarHBondContact O-CB 3.45Å; A732-T736 PolarHBondContact O-N 3.02Å; A732-T736 PolarHBondContact O-OG1 3.37Å; A733-T736 PolarHBondContact O-N 3.43Å; T736-F738 PolarHBondContact O-N 2.86Å; T736-L739 PolarHBondContact O-N 3.22Å; T736-L739 VanDerWaalsContact O-N 3.08Å; T736-E740 VanDerWaalsContact CG2-CD 3.47Å; T736-E740 HydrophobicContact CG2-CG 3.92Å; T736-E740 VanDerWaalsContact CG2-OE1 3.27Å; T736-E740 WeakPolarHBondContact CG2-OE1 3.4Å; T736-E740 WeakPolarHBondContact O-CG 3.39Å; T736-E740 PolarHBondContact O-N 2.85Å
737	S	97.4	Very high	97.5	Very high	19 Å²	19	34.7 Å²	34.7	13%	0.133	21%	0.205	C	C	.	.	H	α-helix	trans	-65.9	-18.1	178.5	60.4	0	0	0	0	114.2	A733 L734 P741 Y767	A733-S737 WeakPolarHBondContact O-CB 3.21Å; A733-S737 PolarHBondContact O-N 3.24Å; A733-S737 PolarHBondContact O-OG 2.82Å; A733-S737 VanDerWaalsContact O-OG 3.06Å; L734-S737 PolarHBondContact O-OG 2.96Å; S737-P741 WeakPolarHBondContact O-CD 3.21Å; S737-P741 WeakPolarHBondContact O-CG 3.44Å; S737-Y767 WeakPolarHBondContact OG-CE2 3.43Å
738	F	98.2	Very high	97.4	Very high	3 Å²	3	40.2 Å²	40.2	1%	0.013	24%	0.237	C	C	.	.	H	α-helix	trans	-79.8	-42.8	169.7	175.4	-116.1	0	0	0	112.6	I218 L222 L734 F735 T736 M742 C756 H759 W761 I762	I218-F738 HydrophobicContact CG2-CE1 3.96Å; I218-F738 HydrophobicContact CG2-CZ 3.74Å; L222-F738 HydrophobicContact CD1-CE2 4.39Å; L222-F738 HydrophobicContact CD1-CZ 4.06Å; L734-F738 PolarHBondContact O-N 3.43Å; F735-F738 HydrophobicContact CD2-CD1 4.18Å; F735-F738 HydrophobicContact CE2-CD1 4.2Å; F735-F738 WeakPolarHBondContact O-CB 3.44Å; F735-F738 PolarHBondContact O-N 3.07Å; T736-F738 PolarHBondContact O-N 2.86Å; F738-M742 HydrophobicContact CD1-SD 4.26Å; F738-M742 HydrophobicContact CD2-SD 4.4Å; F738-M742 HydrophobicContact CE1-SD 3.72Å; F738-M742 HydrophobicContact CE2-SD 3.9Å; F738-M742 HydrophobicContact CZ-CE 4.46Å; F738-M742 HydrophobicContact CZ-SD 3.53Å; F738-M742 VanDerWaalsContact CZ-SD 3.53Å; F738-M742 WeakPolarHBondContact O-CG 3.22Å; F738-C756 HydrophobicContact CE2-CB 4.17Å; F738-H759 VanDerWaalsContact CA-CE1 3.5Å; F738-H759 WeakPolarHBondContact CA-CE1 3.46Å; F738-H759 WeakPolarHBondContact CB-ND1 3.33Å; F738-H759 HydrophobicContact CD2-CB 3.98Å; F738-H759 AromaticContact CD2-CG 3.94Å; F738-H759 AromaticContact CD2-ND1 3.51Å; F738-H759 HydrophobicContact CE2-CB 4.49Å; F738-H759 AromaticContact CG-ND1 3.9Å; F738-H759 PolarHBondContact N-CE1 3.4Å; F738-W761 HydrophobicContact CB-CB 3.94Å; F738-W761 HydrophobicContact CB-CG 4.27Å; F738-W761 AromaticContact CD1-CD2 4Å; F738-W761 HydrophobicContact CD1-CD2 4Å; F738-W761 AromaticContact CD1-CE3 3.43Å; F738-W761 HydrophobicContact CD1-CE3 3.43Å; F738-W761 VanDerWaalsContact CD1-CE3 3.43Å; F738-W761 AromaticContact CD1-CZ3 3.79Å; F738-W761 HydrophobicContact CD1-CZ3 3.79Å; F738-W761 HydrophobicContact CD2-CB 4.48Å; F738-W761 HydrophobicContact CD2-CE3 4.18Å; F738-W761 HydrophobicContact CE1-CD2 4.44Å; F738-W761 AromaticContact CE1-CE3 3.47Å; F738-W761 HydrophobicContact CE1-CE3 3.47Å; F738-W761 VanDerWaalsContact CE1-CE3 3.47Å; F738-W761 HydrophobicContact CE1-CH2 4.37Å; F738-W761 AromaticContact CE1-CZ3 3.42Å; F738-W761 HydrophobicContact CE1-CZ3 3.42Å; F738-W761 VanDerWaalsContact CE1-CZ3 3.42Å; F738-W761 HydrophobicContact CE2-CE3 4.19Å; F738-W761 HydrophobicContact CG-CB 4.17Å; F738-W761 HydrophobicContact CG-CD2 4.21Å; F738-W761 AromaticContact CG-CE3 3.8Å; F738-W761 HydrophobicContact CG-CE3 3.8Å; F738-W761 HydrophobicContact CG-CG 4.38Å; F738-W761 AromaticContact CZ-CE3 3.86Å; F738-W761 HydrophobicContact CZ-CE3 3.86Å; F738-W761 AromaticContact CZ-CZ3 3.92Å; F738-W761 HydrophobicContact CZ-CZ3 3.92Å; F738-I762 HydrophobicContact CD2-CG1 4.26Å; F738-I762 HydrophobicContact CE2-CD1 4.06Å; F738-I762 HydrophobicContact CE2-CG1 3.56Å; F738-I762 HydrophobicContact CZ-CD1 3.88Å; F738-I762 HydrophobicContact CZ-CG1 3.93Å
739	L	98.6	Very high	97.4	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	25%	0.25	C	C	.	.	H	α-helix	trans	-82.6	-33.6	-174.5	-66.2	179.9	0	0	0	113.8	A647 A650 F651 L717 F735 T736 M742 L743	A647-L739 HydrophobicContact CB-CD2 3.94Å; A650-L739 HydrophobicContact CB-CD2 3.94Å; F651-L739 HydrophobicContact CB-CD1 4.37Å; L717-L739 HydrophobicContact CD2-CB 3.75Å; L717-L739 HydrophobicContact CD2-CD1 3.97Å; L717-L739 HydrophobicContact CD2-CG 4.48Å; F735-L739 HydrophobicContact CD1-CD1 3.98Å; F735-L739 HydrophobicContact CD2-CD1 4.34Å; F735-L739 HydrophobicContact CD2-CG 4.34Å; F735-L739 HydrophobicContact CE1-CD1 3.64Å; F735-L739 HydrophobicContact CE2-CD1 4.02Å; F735-L739 HydrophobicContact CE2-CD2 4.3Å; F735-L739 HydrophobicContact CE2-CG 4.16Å; F735-L739 HydrophobicContact CG-CD1 4.33Å; F735-L739 HydrophobicContact CZ-CD1 3.67Å; F735-L739 HydrophobicContact CZ-CD2 4.47Å; F735-L739 HydrophobicContact CZ-CG 4.29Å; F735-L739 WeakPolarHBondContact O-CG 3.45Å; F735-L739 PolarHBondContact O-N 3.24Å; T736-L739 PolarHBondContact O-N 3.22Å; T736-L739 VanDerWaalsContact O-N 3.08Å; L739-M742 HydrophobicContact CD2-SD 4.27Å; L739-M742 CarbonylContact O-C 3.59Å; L739-M742 WeakPolarHBondContact O-CA 3.38Å; L739-M742 WeakPolarHBondContact O-CB 3.35Å; L739-M742 PolarHBondContact O-N 2.94Å; L739-L743 HydrophobicContact CB-CD1 4.35Å; L739-L743 WeakPolarHBondContact O-CG 3.45Å; L739-L743 PolarHBondContact O-N 3.3Å
740	E	97.6	Very high	97.5	Very high	97 Å²	97	41.1 Å²	41.1	45%	0.453	23%	0.226	S	C	.	.	H	α-helix	trans	-57.6	-45.2	-179.8	-75.8	177.5	165.1	0	0	113.3	T736 M742 L743 A744	T736-E740 VanDerWaalsContact CG2-CD 3.47Å; T736-E740 HydrophobicContact CG2-CG 3.92Å; T736-E740 VanDerWaalsContact CG2-OE1 3.27Å; T736-E740 WeakPolarHBondContact CG2-OE1 3.4Å; T736-E740 WeakPolarHBondContact O-CG 3.39Å; T736-E740 PolarHBondContact O-N 2.85Å; E740-M742 PolarHBondContact O-N 3.31Å; E740-L743 CarbonylContact O-C 3.55Å; E740-L743 PolarHBondContact O-N 3.26Å; E740-L743 VanDerWaalsContact O-N 3.1Å; E740-A744 PolarHBondContact O-N 3.23Å
741	P	98.3	Very high	97.7	Very high	57 Å²	57	37.3 Å²	37.3	37%	0.37	20%	0.2	S	C	.	.	H	α-helix	trans	-62.7	-28.2	172.6	-23.9	35.2	0	0	0	114	S737 L743 R750 A751	S737-P741 WeakPolarHBondContact O-CD 3.21Å; S737-P741 WeakPolarHBondContact O-CG 3.44Å; P741-L743 VanDerWaalsContact C-N 3.35Å; P741-R750 WeakPolarHBondContact O-CA 3.45Å; P741-R750 WeakPolarHBondContact O-CG 3.48Å; P741-A751 HydrophobicContact CB-CB 3.82Å; P741-A751 PolarHBondContact O-N 3.29Å
742	M	98.8	Very high	97.8	Very high	0 Å²	0	36 Å²	36	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-80.3	-16.4	176.1	-60.4	177.7	70.3	0	0	113	L222 I643 T646 A647 F738 L739 E740 R750 C756	L222-M742 HydrophobicContact CD2-CE 4.27Å; I643-M742 HydrophobicContact CG2-CB 3.81Å; I643-M742 HydrophobicContact CG2-CE 3.89Å; I643-M742 HydrophobicContact CG2-CG 3.89Å; T646-M742 HydrophobicContact CG2-CE 3.85Å; A647-M742 HydrophobicContact CB-CB 3.72Å; A647-M742 HydrophobicContact CB-CE 4.14Å; A647-M742 HydrophobicContact CB-SD 4.42Å; F738-M742 HydrophobicContact CD1-SD 4.26Å; F738-M742 HydrophobicContact CD2-SD 4.4Å; F738-M742 HydrophobicContact CE1-SD 3.72Å; F738-M742 HydrophobicContact CE2-SD 3.9Å; F738-M742 HydrophobicContact CZ-CE 4.46Å; F738-M742 HydrophobicContact CZ-SD 3.53Å; F738-M742 VanDerWaalsContact CZ-SD 3.53Å; F738-M742 WeakPolarHBondContact O-CG 3.22Å; L739-M742 HydrophobicContact CD2-SD 4.27Å; L739-M742 CarbonylContact O-C 3.59Å; L739-M742 WeakPolarHBondContact O-CA 3.38Å; L739-M742 WeakPolarHBondContact O-CB 3.35Å; L739-M742 PolarHBondContact O-N 2.94Å; E740-M742 PolarHBondContact O-N 3.31Å; M742-R750 WeakPolarHBondContact O-CD 3.27Å; M742-R750 WeakPolarHBondContact O-CG 3.44Å; M742-C756 VanDerWaalsContact CG-SG 3.59Å
743	L	98.7	Very high	97.9	Very high	3 Å²	3	36.1 Å²	36.1	2%	0.016	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.2	14.5	-179.9	-66.5	170.8	0	0	0	112.7	W644 A647 L659 L682 L739 E740 P741 Y745	W644-L743 HydrophobicContact CD2-CD2 3.85Å; W644-L743 HydrophobicContact CE3-CD2 3.95Å; W644-L743 HydrophobicContact CG-CD2 4.34Å; W644-L743 HydrophobicContact CH2-CD2 4.46Å; W644-L743 HydrophobicContact CZ2-CD2 4.37Å; W644-L743 HydrophobicContact CZ3-CB 4.39Å; W644-L743 HydrophobicContact CZ3-CD2 4.27Å; W644-L743 VanDerWaalsContact CZ3-O 3.3Å; W644-L743 WeakPolarHBondContact CZ3-O 3.11Å; A647-L743 HydrophobicContact CB-CD2 3.77Å; A647-L743 HydrophobicContact CB-CG 3.9Å; L659-L743 HydrophobicContact CD2-CD1 3.85Å; L659-L743 HydrophobicContact CD2-CD2 4.19Å; L682-L743 HydrophobicContact CD1-CB 3.9Å; L682-L743 HydrophobicContact CD2-CB 4.45Å; L682-L743 HydrophobicContact CD2-CD1 4.46Å; L739-L743 HydrophobicContact CB-CD1 4.35Å; L739-L743 WeakPolarHBondContact O-CG 3.45Å; L739-L743 PolarHBondContact O-N 3.3Å; E740-L743 CarbonylContact O-C 3.55Å; E740-L743 PolarHBondContact O-N 3.26Å; E740-L743 VanDerWaalsContact O-N 3.1Å; P741-L743 VanDerWaalsContact C-N 3.35Å; L743-Y745 PolarHBondContact O-N 2.83Å
744	A	98.3	Very high	98	Very high	27 Å²	27	40.1 Å²	40.1	22%	0.223	21%	0.208	C	C	.	.			trans	-60.4	134.4	178.7	0	0	0	0	0	111.9	E740 D746 R750	E740-A744 PolarHBondContact O-N 3.23Å; A744-D746 VanDerWaalsContact C-N 3.32Å; A744-D746 PolarHBondContact O-N 2.79Å; A744-R750 HydrophobicContact CB-CB 4.12Å; A744-R750 HydrophobicContact CB-CG 4.41Å; A744-R750 PolarHBondContact O-NE 3.45Å; A744-R750 PolarHBondContact O-NH2 3.49Å
745	Y	98	Very high	98	Very high	34 Å²	34	42.4 Å²	42.4	13%	0.133	22%	0.221	C	C	.	.	S	Bend	trans	-62	-35	-176.3	-60.3	-53.8	0	0	0	114.6	L629 I678 L682 G683 I685 P686 L743 P747	L629-Y745 HydrophobicContact CD2-CD1 3.6Å; L629-Y745 HydrophobicContact CD2-CE1 4.47Å; L629-Y745 HydrophobicContact CD2-CG 4.25Å; I678-Y745 HydrophobicContact CG2-CE1 3.81Å; L682-Y745 HydrophobicContact CB-CE1 4.09Å; L682-Y745 WeakPolarHBondContact CB-OH 3.5Å; L682-Y745 HydrophobicContact CD1-CE1 4.25Å; L682-Y745 PolarHBondContact O-OH 3.46Å; G683-Y745 PolarHBondContact O-OH 2.86Å; I685-Y745 HydrophobicContact CG1-CD1 4.07Å; I685-Y745 HydrophobicContact CG1-CE1 3.69Å; P686-Y745 HydrophobicContact CG-CD2 4.06Å; L743-Y745 PolarHBondContact O-N 2.83Å; Y745-P747 WeakPolarHBondContact O-CD 3.43Å
746	D	97	Very high	98.1	Very high	29 Å²	29	42.6 Å²	42.6	16%	0.155	22%	0.222	C	C	.	.	S	Bend	trans	-90.7	113.4	-179.7	-176.9	-13.8	0	0	0	108.1	I689 A744 N748 K749 R750	I689-D746 HydrophobicContact CD1-CB 3.86Å; A744-D746 VanDerWaalsContact C-N 3.32Å; A744-D746 PolarHBondContact O-N 2.79Å; D746-N748 PolarHBondContact O-N 3.34Å; D746-N748 WeakPolarHBondContact OD1-CB 3.47Å; D746-N748 PolarHBondContact OD1-N 2.96Å; D746-N748 PolarHBondContact OD1-ND2 2.95Å; D746-K749 HydrophobicContact CB-CB 4.14Å; D746-K749 HydrophobicContact CB-CD 4.12Å; D746-K749 HydrophobicContact CB-CG 4.08Å; D746-K749 PolarHBondContact O-N 3.19Å; D746-K749 WeakPolarHBondContact OD2-CE 3.38Å; D746-K749 IonicContact OD2-NZ 3.03Å; D746-K749 PolarHBondContact OD2-NZ 3.34Å; D746-R750 PolarHBondContact O-N 2.87Å; D746-R750 VanDerWaalsContact O-N 3.08Å
747	P	97.7	Very high	98.1	Very high	28 Å²	28	43 Å²	43	18%	0.182	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.2	-28.8	-179.6	-27.6	37	0	0	0	113	E630 P640 Y745 K749	E630-P747 HydrophobicContact CB-CG 4.14Å; E630-P747 HydrophobicContact CG-CG 4.08Å; P640-P747 HydrophobicContact CB-CB 3.99Å; P640-P747 HydrophobicContact CG-CB 4.09Å; P640-P747 WeakPolarHBondContact CG-O 3.39Å; Y745-P747 WeakPolarHBondContact O-CD 3.43Å; P747-K749 VanDerWaalsContact C-N 3.27Å; P747-K749 PolarHBondContact O-N 2.89Å
748	N	96.4	Very high	98.1	Very high	146 Å²	146	47 Å²	47	78%	0.781	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.9	-11	179.4	-49.8	-86.3	0	0	0	113.7	D746	D746-N748 PolarHBondContact O-N 3.34Å; D746-N748 WeakPolarHBondContact OD1-CB 3.47Å; D746-N748 PolarHBondContact OD1-N 2.96Å; D746-N748 PolarHBondContact OD1-ND2 2.95Å
749	K	97.3	Very high	98	Very high	153 Å²	153	48.8 Å²	48.8	67%	0.665	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-115.2	-9	177.6	-60.3	-177.2	-178.1	115.2	0	113.1	D746 P747	D746-K749 HydrophobicContact CB-CB 4.14Å; D746-K749 HydrophobicContact CB-CD 4.12Å; D746-K749 HydrophobicContact CB-CG 4.08Å; D746-K749 PolarHBondContact O-N 3.19Å; D746-K749 WeakPolarHBondContact OD2-CE 3.38Å; D746-K749 IonicContact OD2-NZ 3.03Å; D746-K749 PolarHBondContact OD2-NZ 3.34Å; P747-K749 VanDerWaalsContact C-N 3.27Å; P747-K749 PolarHBondContact O-N 2.89Å
750	R	98.5	Very high	97.9	Very high	13 Å²	13	50.1 Å²	50.1	5%	0.049	26%	0.258	C	S	.	.	S	Bend	trans	-66.3	135.9	173.9	-165.1	178.3	-62.4	153.3	7.6	108.9	E630 P640 I643 P741 M742 A744 D746 S752	E630-R750 IonicContact OE1-CZ 2.69Å; E630-R750 IonicContact OE1-NH1 3.96Å; E630-R750 PolarHBondContact OE1-NH1 2.91Å; E630-R750 IonicContact OE1-NH2 2.71Å; E630-R750 IonicContact OE2-CZ 3.34Å; E630-R750 IonicContact OE2-NH1 3.55Å; E630-R750 PolarHBondContact OE2-NH1 3.08Å; E630-R750 IonicContact OE2-NH2 3.55Å; E630-R750 PolarHBondContact OE2-NH2 3.34Å; P640-R750 HydrophobicContact CB-CB 4.29Å; P640-R750 VanDerWaalsContact O-CD 3.31Å; P640-R750 WeakPolarHBondContact O-CD 3.23Å; P640-R750 PolarHBondContact O-NH1 3.49Å; I643-R750 HydrophobicContact CG2-CG 4.35Å; P741-R750 WeakPolarHBondContact O-CA 3.45Å; P741-R750 WeakPolarHBondContact O-CG 3.48Å; M742-R750 WeakPolarHBondContact O-CD 3.27Å; M742-R750 WeakPolarHBondContact O-CG 3.44Å; A744-R750 HydrophobicContact CB-CB 4.12Å; A744-R750 HydrophobicContact CB-CG 4.41Å; A744-R750 PolarHBondContact O-NE 3.45Å; A744-R750 PolarHBondContact O-NH2 3.49Å; D746-R750 PolarHBondContact O-N 2.87Å; D746-R750 VanDerWaalsContact O-N 3.08Å; R750-S752 PolarHBondContact O-N 3.15Å
751	A	98.5	Very high	97.8	Very high	16 Å²	16	45.6 Å²	45.6	13%	0.132	24%	0.237	C	C	.	.	P	Polyproline II helix	trans	-55.9	136	-178	0	0	0	0	0	111	I643 P741 D755	I643-A751 WeakPolarHBondContact CG2-O 3.39Å; P741-A751 HydrophobicContact CB-CB 3.82Å; P741-A751 PolarHBondContact O-N 3.29Å; A751-D755 HydrophobicContact CB-CB 4.2Å
752	S	98.7	Very high	97.8	Very high	51 Å²	51	43.1 Å²	43.1	36%	0.357	22%	0.22	S	C	.	.	P	Polyproline II helix	trans	-73.3	166	172.5	76.8	0	0	0	0	110.6	R750 W754 D755 C756	R750-S752 PolarHBondContact O-N 3.15Å; S752-W754 PolarHBondContact O-N 2.86Å; S752-W754 VanDerWaalsContact O-N 3.11Å; S752-W754 PolarHBondContact OG-N 3.35Å; S752-D755 WeakPolarHBondContact CA-OD2 3.25Å; S752-D755 WeakPolarHBondContact CB-OD2 3.41Å; S752-D755 PolarHBondContact N-OD2 3.24Å; S752-D755 PolarHBondContact O-N 2.97Å; S752-D755 VanDerWaalsContact O-N 3.12Å; S752-D755 VanDerWaalsContact OG-CG 3.27Å; S752-D755 PolarHBondContact OG-N 3.28Å; S752-D755 PolarHBondContact OG-OD2 3.12Å; S752-C756 PolarHBondContact O-N 3Å; S752-C756 VanDerWaalsContact O-N 3.09Å; S752-C756 PolarHBondContact O-SG 2.88Å
753	A	98.7	Very high	97.5	Very high	2 Å²	2	45.6 Å²	45.6	2%	0.017	24%	0.235	C	C	.	.	H	α-helix	trans	-54.7	-29.9	171.9	0	0	0	0	0	112.8	L222 L225 H226 I643 L757	L222-A753 HydrophobicContact CD2-CB 4.4Å; L225-A753 HydrophobicContact CB-CB 4.13Å; H226-A753 HydrophobicContact CB-CB 3.83Å; I643-A753 HydrophobicContact CD1-CB 3.9Å; A753-L757 WeakPolarHBondContact O-CD1 3.43Å; A753-L757 VanDerWaalsContact O-CG 3.25Å; A753-L757 WeakPolarHBondContact O-CG 3.36Å; A753-L757 PolarHBondContact O-N 3.1Å
754	W	98.3	Very high	96.8	Very high	118 Å²	118	48.4 Å²	48.4	45%	0.447	27%	0.265	S	S	.	.	H	α-helix	trans	-73.1	-44.1	176.6	-175.3	-99.6	0	0	0	112.7	F165 H226 S752 C756 L757 Q758	F165-W754 HydrophobicContact CE2-CZ3 4.2Å; H226-W754 AromaticContact CD2-CE3 3.97Å; H226-W754 AromaticContact CE1-CE3 3.7Å; H226-W754 AromaticContact NE2-CE3 3.6Å; S752-W754 PolarHBondContact O-N 2.86Å; S752-W754 VanDerWaalsContact O-N 3.11Å; S752-W754 PolarHBondContact OG-N 3.35Å; W754-C756 VanDerWaalsContact C-N 3.3Å; W754-C756 PolarHBondContact O-N 2.91Å; W754-L757 WeakPolarHBondContact O-CB 3.49Å; W754-L757 PolarHBondContact O-N 2.67Å; W754-L757 VanDerWaalsContact O-N 3.08Å; W754-Q758 VanDerWaalsContact CE2-NE2 3.34Å; W754-Q758 VanDerWaalsContact CZ2-NE2 3.35Å; W754-Q758 PolarHBondContact O-N 2.68Å
755	D	98.2	Very high	95.6	Very high	87 Å²	87	53.3 Å²	53.3	47%	0.465	28%	0.284	S	S	.	.	H	α-helix	trans	-63.9	-41.1	-179.2	-51.9	-54.1	0	0	0	110.5	A751 S752 L757 Q758 H759	A751-D755 HydrophobicContact CB-CB 4.2Å; S752-D755 WeakPolarHBondContact CA-OD2 3.25Å; S752-D755 WeakPolarHBondContact CB-OD2 3.41Å; S752-D755 PolarHBondContact N-OD2 3.24Å; S752-D755 PolarHBondContact O-N 2.97Å; S752-D755 VanDerWaalsContact O-N 3.12Å; S752-D755 VanDerWaalsContact OG-CG 3.27Å; S752-D755 PolarHBondContact OG-N 3.28Å; S752-D755 PolarHBondContact OG-OD2 3.12Å; D755-L757 VanDerWaalsContact C-N 3.27Å; D755-L757 PolarHBondContact O-N 3.5Å; D755-Q758 PolarHBondContact O-N 2.93Å; D755-Q758 VanDerWaalsContact O-N 3.11Å; D755-H759 PolarHBondContact O-N 3.07Å
756	C	98.5	Very high	93.8	Very high	4 Å²	4	57.5 Å²	57.5	3%	0.027	32%	0.315	C	S	.	.	H	α-helix	trans	-58.4	-38	173.4	-60	0	0	0	0	112.2	L222 F738 M742 S752 W754 Q758 H759 I762	L222-C756 HydrophobicContact CD1-CB 3.52Å; L222-C756 HydrophobicContact CD2-CB 3.8Å; L222-C756 HydrophobicContact CG-CB 4.26Å; F738-C756 HydrophobicContact CE2-CB 4.17Å; M742-C756 VanDerWaalsContact CG-SG 3.59Å; S752-C756 PolarHBondContact O-N 3Å; S752-C756 VanDerWaalsContact O-N 3.09Å; S752-C756 PolarHBondContact O-SG 2.88Å; W754-C756 VanDerWaalsContact C-N 3.3Å; W754-C756 PolarHBondContact O-N 2.91Å; C756-Q758 VanDerWaalsContact C-N 3.29Å; C756-Q758 PolarHBondContact O-N 3.08Å; C756-H759 WeakPolarHBondContact O-CB 3.5Å; C756-H759 PolarHBondContact O-N 2.9Å; C756-I762 WeakPolarHBondContact O-CG1 3.23Å
757	L	98	Very high	91.8	Very high	15 Å²	15	60.9 Å²	60.9	8%	0.079	33%	0.326	C	S	.	.	H	α-helix	trans	-68.8	-22.8	177.9	-74.3	168.3	0	0	0	113.9	F165 K219 L222 Q223 A753 W754 D755 I762 T763	F165-L757 HydrophobicContact CE2-CD1 4.19Å; K219-L757 HydrophobicContact CG-CD2 3.98Å; K219-L757 WeakPolarHBondContact O-CD2 3.41Å; L222-L757 HydrophobicContact CB-CD1 4.43Å; L222-L757 HydrophobicContact CB-CD2 3.83Å; L222-L757 HydrophobicContact CB-CG 3.89Å; Q223-L757 HydrophobicContact CG-CD1 4.08Å; Q223-L757 HydrophobicContact CG-CD2 3.93Å; A753-L757 WeakPolarHBondContact O-CD1 3.43Å; A753-L757 VanDerWaalsContact O-CG 3.25Å; A753-L757 WeakPolarHBondContact O-CG 3.36Å; A753-L757 PolarHBondContact O-N 3.1Å; W754-L757 WeakPolarHBondContact O-CB 3.49Å; W754-L757 PolarHBondContact O-N 2.67Å; W754-L757 VanDerWaalsContact O-N 3.08Å; D755-L757 VanDerWaalsContact C-N 3.27Å; D755-L757 PolarHBondContact O-N 3.5Å; L757-I762 HydrophobicContact CD2-CG2 4.38Å; L757-T763 WeakPolarHBondContact O-CG2 3.49Å
758	Q	97.2	Very high	89.7	Confident	104 Å²	104	64 Å²	64	49%	0.486	35%	0.349	S	S	.	.	H	α-helix	trans	-85.8	-16.4	175	-52.8	-49.9	-43.5	0	0	113	W754 D755 C756 T763	W754-Q758 VanDerWaalsContact CE2-NE2 3.34Å; W754-Q758 VanDerWaalsContact CZ2-NE2 3.35Å; W754-Q758 PolarHBondContact O-N 2.68Å; D755-Q758 PolarHBondContact O-N 2.93Å; D755-Q758 VanDerWaalsContact O-N 3.11Å; C756-Q758 VanDerWaalsContact C-N 3.29Å; C756-Q758 PolarHBondContact O-N 3.08Å; Q758-T763 WeakPolarHBondContact O-CG2 3.46Å
759	H	97.3	Very high	87.6	Confident	41 Å²	41	61 Å²	61	19%	0.19	34%	0.337	C	S	.	.	S	Bend	trans	-62.1	144.7	-172.4	-169.3	-109.8	0	0	0	113.3	F738 D755 C756 W761 I762 T763	F738-H759 VanDerWaalsContact CA-CE1 3.5Å; F738-H759 WeakPolarHBondContact CA-CE1 3.46Å; F738-H759 WeakPolarHBondContact CB-ND1 3.33Å; F738-H759 HydrophobicContact CD2-CB 3.98Å; F738-H759 AromaticContact CD2-CG 3.94Å; F738-H759 AromaticContact CD2-ND1 3.51Å; F738-H759 HydrophobicContact CE2-CB 4.49Å; F738-H759 AromaticContact CG-ND1 3.9Å; F738-H759 PolarHBondContact N-CE1 3.4Å; D755-H759 PolarHBondContact O-N 3.07Å; C756-H759 WeakPolarHBondContact O-CB 3.5Å; C756-H759 PolarHBondContact O-N 2.9Å; H759-W761 PolarHBondContact ND1-N 3.17Å; H759-W761 PolarHBondContact O-N 3.03Å; H759-W761 VanDerWaalsContact O-N 3.12Å; H759-I762 PolarHBondContact O-N 3.43Å; H759-T763 PolarHBondContact O-N 2.85Å; H759-T763 PolarHBondContact O-OG1 2.91Å
760	S	95.8	Very high	85.1	Confident	27 Å²	27	59 Å²	59	19%	0.189	34%	0.342	C	S	.	.	H	α-helix	trans	-53.9	-35.5	-176.4	-56.3	0	0	0	0	113.7	I762 T763 G764	S760-I762 VanDerWaalsContact C-N 3.31Å; S760-I762 PolarHBondContact O-N 3.49Å; S760-T763 WeakPolarHBondContact CA-OG1 3.44Å; S760-G764 WeakPolarHBondContact O-CA 3.47Å; S760-G764 PolarHBondContact O-N 3.08Å
761	W	96.7	Very high	82.3	Confident	3 Å²	3	63.6 Å²	63.6	1%	0.011	37%	0.372	C	S	.	.	H	α-helix	trans	-65.3	-30.1	176.7	-173.5	85.8	0	0	0	113.5	V214 R215 I218 L734 F735 F738 H759	V214-W761 HydrophobicContact CG1-CH2 4.11Å; R215-W761 HydrophobicContact CB-CH2 3.98Å; R215-W761 HydrophobicContact CB-CZ2 4.14Å; R215-W761 HydrophobicContact CB-CZ3 4.33Å; R215-W761 WeakPolarHBondContact CD-O 3.39Å; R215-W761 HydrophobicContact CG-CZ3 4.45Å; R215-W761 WeakPolarHBondContact CG-O 3.44Å; R215-W761 PolarHBondContact NE-O 3.25Å; I218-W761 HydrophobicContact CB-CZ3 4.3Å; I218-W761 HydrophobicContact CG2-CZ3 4.3Å; L734-W761 HydrophobicContact CD1-CB 4.25Å; L734-W761 HydrophobicContact CG-CB 4.05Å; L734-W761 HydrophobicContact CG-CG 4.43Å; F735-W761 HydrophobicContact CD2-CD2 4.11Å; F735-W761 AromaticContact CD2-CE2 3.54Å; F735-W761 HydrophobicContact CD2-CH2 4.29Å; F735-W761 AromaticContact CD2-CZ2 3.67Å; F735-W761 HydrophobicContact CD2-CZ2 3.67Å; F735-W761 AromaticContact CD2-NE1 3.65Å; F735-W761 AromaticContact CE2-CE2 3.96Å; F735-W761 AromaticContact CE2-CH2 3.86Å; F735-W761 HydrophobicContact CE2-CH2 3.86Å; F735-W761 AromaticContact CE2-CZ2 3.58Å; F735-W761 HydrophobicContact CE2-CZ2 3.58Å; F735-W761 HydrophobicContact CE2-CZ3 4.44Å; F738-W761 HydrophobicContact CB-CB 3.94Å; F738-W761 HydrophobicContact CB-CG 4.27Å; F738-W761 AromaticContact CD1-CD2 4Å; F738-W761 HydrophobicContact CD1-CD2 4Å; F738-W761 AromaticContact CD1-CE3 3.43Å; F738-W761 HydrophobicContact CD1-CE3 3.43Å; F738-W761 VanDerWaalsContact CD1-CE3 3.43Å; F738-W761 AromaticContact CD1-CZ3 3.79Å; F738-W761 HydrophobicContact CD1-CZ3 3.79Å; F738-W761 HydrophobicContact CD2-CB 4.48Å; F738-W761 HydrophobicContact CD2-CE3 4.18Å; F738-W761 HydrophobicContact CE1-CD2 4.44Å; F738-W761 AromaticContact CE1-CE3 3.47Å; F738-W761 HydrophobicContact CE1-CE3 3.47Å; F738-W761 VanDerWaalsContact CE1-CE3 3.47Å; F738-W761 HydrophobicContact CE1-CH2 4.37Å; F738-W761 AromaticContact CE1-CZ3 3.42Å; F738-W761 HydrophobicContact CE1-CZ3 3.42Å; F738-W761 VanDerWaalsContact CE1-CZ3 3.42Å; F738-W761 HydrophobicContact CE2-CE3 4.19Å; F738-W761 HydrophobicContact CG-CB 4.17Å; F738-W761 HydrophobicContact CG-CD2 4.21Å; F738-W761 AromaticContact CG-CE3 3.8Å; F738-W761 HydrophobicContact CG-CE3 3.8Å; F738-W761 HydrophobicContact CG-CG 4.38Å; F738-W761 AromaticContact CZ-CE3 3.86Å; F738-W761 HydrophobicContact CZ-CE3 3.86Å; F738-W761 AromaticContact CZ-CZ3 3.92Å; F738-W761 HydrophobicContact CZ-CZ3 3.92Å; H759-W761 PolarHBondContact ND1-N 3.17Å; H759-W761 PolarHBondContact O-N 3.03Å; H759-W761 VanDerWaalsContact O-N 3.12Å
762	I	96.5	Very high	79.4	Confident	5 Å²	5	71.8 Å²	71.8	3%	0.026	41%	0.407	C	S	.	.	H	α-helix	trans	-88.7	-36.4	177.8	-66.2	-67.1	0	0	0	112.1	I218 K219 L222 F738 C756 L757 H759 S760	I218-I762 HydrophobicContact CG2-CD1 4.3Å; K219-I762 HydrophobicContact CB-CD1 4.15Å; K219-I762 HydrophobicContact CB-CG2 4.04Å; K219-I762 HydrophobicContact CD-CG2 3.9Å; K219-I762 HydrophobicContact CG-CG2 3.75Å; L222-I762 HydrophobicContact CD1-CD1 4.37Å; F738-I762 HydrophobicContact CD2-CG1 4.26Å; F738-I762 HydrophobicContact CE2-CD1 4.06Å; F738-I762 HydrophobicContact CE2-CG1 3.56Å; F738-I762 HydrophobicContact CZ-CD1 3.88Å; F738-I762 HydrophobicContact CZ-CG1 3.93Å; C756-I762 WeakPolarHBondContact O-CG1 3.23Å; L757-I762 HydrophobicContact CD2-CG2 4.38Å; H759-I762 PolarHBondContact O-N 3.43Å; S760-I762 VanDerWaalsContact C-N 3.31Å; S760-I762 PolarHBondContact O-N 3.49Å
763	T	92.9	Very high	76.4	Confident	51 Å²	51	77.3 Å²	77.3	31%	0.313	43%	0.427	S	S	.	.	H	α-helix	trans	-85.1	-19.7	-177.6	58.7	0	0	0	0	113.5	L757 Q758 H759 S760 Q765	L757-T763 WeakPolarHBondContact O-CG2 3.49Å; Q758-T763 WeakPolarHBondContact O-CG2 3.46Å; H759-T763 PolarHBondContact O-N 2.85Å; H759-T763 PolarHBondContact O-OG1 2.91Å; S760-T763 WeakPolarHBondContact CA-OG1 3.44Å; T763-Q765 PolarHBondContact O-N 3Å
764	G	84.6	Confident	73.2	Confident	62 Å²	62	80.6 Å²	80.6	64%	0.639	46%	0.462	S	S	*	.			trans	73.9	10.1	-175.7	0	0	0	0	0	114	S760	S760-G764 WeakPolarHBondContact O-CA 3.47Å; S760-G764 PolarHBondContact O-N 3.08Å
765	Q	72.8	Confident	70	Confident	131 Å²	131	82 Å²	82	61%	0.612	48%	0.477	S	S	*	.			trans	-70.7	149.6	175.8	-67.6	-171.8	5.8	0	0	111.1	T763 Y767	T763-Q765 PolarHBondContact O-N 3Å; Q765-Y767 PolarHBondContact O-N 3.33Å
766	P	59.7	Low	67	Low	121 Å²	121	82.2 Å²	82.2	79%	0.786	48%	0.483	S	S	*	.			trans	-56.2	125.3	176.8	-23.8	33.9	0	0	0	111.3	S768	P766-S768 PolarHBondContact O-N 3.34Å
767	Y	55.1	Low	63.7	Low	100 Å²	100	89.1 Å²	89.1	39%	0.392	52%	0.52	S	S	.	.			trans	-73.4	100.1	176.4	-178.7	-108.8	0	0	0	110.1	L734 S737 Q765 P769	L734-Y767 HydrophobicContact CD1-CD2 3.6Å; L734-Y767 HydrophobicContact CD1-CE2 4.36Å; L734-Y767 HydrophobicContact CD1-CG 3.71Å; S737-Y767 WeakPolarHBondContact OG-CE2 3.43Å; Q765-Y767 PolarHBondContact O-N 3.33Å; Y767-P769 HydrophobicContact CD1-CG 4.2Å; Y767-P769 HydrophobicContact CE1-CB 4.4Å; Y767-P769 HydrophobicContact CE1-CG 3.8Å; Y767-P769 WeakPolarHBondContact O-CD 3.37Å
768	S	53.1	Low	60.7	Low	95 Å²	95	96.8 Å²	96.8	66%	0.664	56%	0.555	S	S	*	*			trans	-88.4	114.1	160.7	56.6	0	0	0	0	108.7	P766 S770	P766-S768 PolarHBondContact O-N 3.34Å; S768-S770 PolarHBondContact O-N 3.27Å
769	P	53.7	Low	57.8	Low	82 Å²	82	98.7 Å²	98.7	53%	0.532	57%	0.567	S	S	.	*			trans	-56.3	124.1	164.5	-17.9	29.6	0	0	0	108.2	Y767 V771	Y767-P769 HydrophobicContact CD1-CG 4.2Å; Y767-P769 HydrophobicContact CE1-CB 4.4Å; Y767-P769 HydrophobicContact CE1-CG 3.8Å; Y767-P769 WeakPolarHBondContact O-CD 3.37Å; P769-V771 PolarHBondContact O-N 3.08Å; P769-V771 VanDerWaalsContact O-N 3.07Å
770	S	45.4	Very low	54.7	Low	110 Å²	110	100.1 Å²	100.1	77%	0.769	58%	0.58	S	S	*	*			trans	-68.7	105.8	175.5	48.9	0	0	0	0	109	S768 E772	S768-S770 PolarHBondContact O-N 3.27Å; S770-E772 VanDerWaalsContact C-N 3.32Å; S770-E772 PolarHBondContact O-N 3.4Å
771	V	38.2	Very low	51.7	Low	111 Å²	111	103.9 Å²	103.9	67%	0.673	59%	0.593	S	S	*	*			trans	-75	81.7	-175.1	-173.7	0	0	0	0	110.7	P769 E773	P769-V771 PolarHBondContact O-N 3.08Å; P769-V771 VanDerWaalsContact O-N 3.07Å; V771-E773 VanDerWaalsContact C-N 3.28Å; V771-E773 HydrophobicContact CG1-CB 3.91Å; V771-E773 HydrophobicContact CG1-CG 3.62Å; V771-E773 PolarHBondContact O-N 3.06Å
772	E	37.8	Very low	48.6	Very low	188 Å²	188	107.4 Å²	107.4	88%	0.879	63%	0.63	S	S	*	*			trans	-80.7	81.4	152.6	-69.9	-152.8	140.6	0	0	108.9	S770 G774	S770-E772 VanDerWaalsContact C-N 3.32Å; S770-E772 PolarHBondContact O-N 3.4Å; E772-G774 PolarHBondContact O-N 3.29Å
773	E	35.4	Very low	45.7	Very low	166 Å²	166	114.1 Å²	114.1	78%	0.776	67%	0.671	S	S	*	*			trans	-71.3	72.1	170.2	-103.3	178	-176.6	0	0	110.7	V771 L775	V771-E773 VanDerWaalsContact C-N 3.28Å; V771-E773 HydrophobicContact CG1-CB 3.91Å; V771-E773 HydrophobicContact CG1-CG 3.62Å; V771-E773 PolarHBondContact O-N 3.06Å; E773-L775 HydrophobicContact CG-CD1 4.45Å
774	G	32.9	Very low	42.6	Very low	72 Å²	72	119.7 Å²	119.7	74%	0.742	70%	0.699	S	S	*	*			trans	-107.2	68.9	173.7	0	0	0	0	0	111.8	E772	E772-G774 PolarHBondContact O-N 3.29Å
775	L	31	Very low	40.2	Very low	146 Å²	146	125.3 Å²	125.3	76%	0.764	71%	0.711	S	S	*	*			trans	-57	155.6	-179.7	-90.3	81.4	0	0	0	113.6	E773	E773-L775 HydrophobicContact CG-CD1 4.45Å
776	P	33.5	Very low	38.8	Very low	93 Å²	93	124.6 Å²	124.6	60%	0.604	72%	0.717	S	S	*	*			cis	-140.6	-176.3	-19.9	39.6	-21.9	0	0	0	114.3
777	N	29.1	Very low	38	Very low	148 Å²	148	125.6 Å²	125.6	79%	0.791	72%	0.716	S	S	*	*			trans	59.4	87.7	156.3	-58.7	-15.6	0	0	0	117.5
778	H	35.4	Very low	37.3	Very low	176 Å²	176	127.2 Å²	127.2	82%	0.815	74%	0.739	S	S	*	*			trans	-131.8	95.6	146.6	-149.8	-66.8	0	0	0	111.1	P780	H778-P780 VanDerWaalsContact O-CD 3.3Å; H778-P780 WeakPolarHBondContact O-CD 3.36Å
779	I	36.7	Very low	36.7	Very low	145 Å²	145	130 Å²	130	74%	0.744	75%	0.746	S	S	*	*			trans	-80.8	114.6	166.8	-62.7	165.2	0	0	0	106.7
780	P	31.8	Very low	35.9	Very low	70 Å²	70	134.6 Å²	134.6	46%	0.455	76%	0.762	S	S	.	*			trans	-73.3	149.3	163.2	32.3	-32.6	0	0	0	109.6	H778	H778-P780 VanDerWaalsContact O-CD 3.3Å; H778-P780 WeakPolarHBondContact O-CD 3.36Å
781	F	33.4	Very low	35.5	Very low	107 Å²	107	132.3 Å²	132.3	47%	0.469	76%	0.756	S	S	.	*			trans	68.7	126.2	-174.3	-46.5	-75.6	0	0	0	115.5	P714	P714-F781 HydrophobicContact CB-CD2 4.41Å; P714-F781 HydrophobicContact CB-CE2 4.1Å; P714-F781 HydrophobicContact CG-CD2 4.07Å; P714-F781 HydrophobicContact CG-CE1 4.39Å; P714-F781 HydrophobicContact CG-CE2 3.84Å; P714-F781 HydrophobicContact CG-CG 4.44Å; P714-F781 HydrophobicContact CG-CZ 4Å
782	G	31.3	Very low	35.5	Very low	77 Å²	77	134.7 Å²	134.7	79%	0.794	77%	0.765	S	S	*	*			trans	160.1	91.5	172.7	0	0	0	0	0	114.1
783	V	35	Very low	35.4	Very low	145 Å²	145	131.3 Å²	131.3	88%	0.879	76%	0.757	S	S	*	*			trans	-58.2	144.5	163.4	-91.9	0	0	0	0	111.1	M785	V783-M785 PolarHBondContact O-N 2.94Å
784	N	29.7	Very low	35.3	Very low	168 Å²	168	130.8 Å²	130.8	90%	0.898	76%	0.759	S	S	*	*			trans	-48.3	124.7	-177.8	-75.6	-34.7	0	0	0	114
785	M	33.9	Very low	35.5	Very low	181 Å²	181	133.4 Å²	133.4	89%	0.892	77%	0.766	S	S	*	*			trans	-147.1	126.4	161.3	-103.1	-69.5	-179.1	0	0	109	V783	V783-M785 PolarHBondContact O-N 2.94Å
786	P	42.6	Very low	35.7	Very low	115 Å²	115	133.8 Å²	133.8	75%	0.747	77%	0.768	S	S	*	*			trans	-90.2	150.9	-171.5	34.3	-35.5	0	0	0	115
787	D	43.4	Very low	36	Very low	142 Å²	142	134.1 Å²	134.1	76%	0.759	77%	0.771	S	S	*	*			trans	34.9	105.9	161.2	-81.5	-27.2	0	0	0	120.6	L789	D787-L789 PolarHBondContact O-N 3.48Å
788	P	39	Very low	36.3	Very low	134 Å²	134	131.9 Å²	131.9	87%	0.87	77%	0.767	S	S	*	*			trans	-86.3	84.9	163.9	34.8	-31.9	0	0	0	111.8	M790	P788-M790 PolarHBondContact O-N 3.29Å
789	L	41.2	Very low	36.4	Very low	155 Å²	155	129 Å²	129	81%	0.812	76%	0.762	S	S	*	*			trans	-82.3	113.1	171.1	-96	173.5	0	0	0	112.8	D787	D787-L789 PolarHBondContact O-N 3.48Å
790	M	38	Very low	36.3	Very low	177 Å²	177	131.9 Å²	131.9	87%	0.872	77%	0.765	S	S	*	*			trans	70	105	140.6	-164.4	171.9	-173.1	0	0	119.7	P788	P788-M790 PolarHBondContact O-N 3.29Å
791	G	35.9	Very low	36.4	Very low	63 Å²	63	137.8 Å²	137.8	65%	0.649	78%	0.779	S	S	*	*				95.7	102.8	122.6	0	0	0	0	0	119.8
792	D	37.7	Very low	36.4	Very low	160 Å²	160	140.1 Å²	140.1	86%	0.856	79%	0.791	S	S	*	*			trans	65.1	134.6	130.4	-78.2	-18.7	0	0	0	123.6
793	V	36.7	Very low	37	Very low	117 Å²	117	141 Å²	141	71%	0.709	78%	0.783	S	S	*	*			trans	74.8	98.1	147.5	178.6	0	0	0	0	119.1
794	L	33.4	Very low	37.1	Very low	155 Å²	155	142.6 Å²	142.6	81%	0.812	78%	0.78	S	S	*	*			trans	42.5	108.7	131.7	-52.4	175.4	0	0	0	119.7
795	S	37.2	Very low	37.5	Very low	127 Å²	127	140.6 Å²	140.6	89%	0.888	77%	0.768	S	S	*	*				176.7	145.2	123.3	-80.3	0	0	0	0	112.6
796	N	35.3	Very low	37.6	Very low	154 Å²	154	138.1 Å²	138.1	82%	0.824	76%	0.759	S	S	*	*			trans	-83.8	175.4	-177.8	-144.5	6	0	0	0	111.5
797	P	39.2	Very low	37.3	Very low	100 Å²	100	140.9 Å²	140.9	65%	0.649	76%	0.762	S	S	*	*				-118.1	-169.7	-108.9	41.3	-25	0	0	0	112.9
798	S	35.8	Very low	37	Very low	101 Å²	101	139 Å²	139	71%	0.706	76%	0.757	S	S	*	*				168.9	146.9	126	-75.4	0	0	0	0	116.3
799	T	38.1	Very low	36.9	Very low	116 Å²	116	140.1 Å²	140.1	71%	0.712	76%	0.756	S	S	*	*			trans	79.9	138.2	144.7	30	0	0	0	0	124.7
800	Y	33.1	Very low	36.7	Very low	206 Å²	206	138.7 Å²	138.7	81%	0.808	75%	0.753	S	S	*	*			trans	65.3	125.2	165.9	-64	-73.7	0	0	0	118.5
801	Y	34.5	Very low	36.6	Very low	194 Å²	194	136.9 Å²	136.9	76%	0.761	75%	0.752	S	S	*	*			cis	64.2	134.5	48.1	-86.3	-116.1	0	0	0	113.6
802	H	34.3	Very low	36.8	Very low	156 Å²	156	141.4 Å²	141.4	72%	0.722	76%	0.761	S	S	*	*			cis	-159.5	166.6	-3.3	-147.7	-122.2	0	0	0	109.8
803	P	42.3	Very low	36.9	Very low	94 Å²	94	139.3 Å²	139.3	61%	0.61	76%	0.756	S	S	*	*			trans	-109.7	169.6	-169.7	40.7	-33.3	0	0	0	116.6
804	H	37.4	Very low	36.9	Very low	179 Å²	179	138 Å²	138	83%	0.829	76%	0.758	S	S	*	*			trans	-162.6	156.5	172	-79	-47.7	0	0	0	108.1
805	I	38.5	Very low	37	Very low	126 Å²	126	138 Å²	138	65%	0.646	76%	0.758	S	S	*	*			cis	-165.8	148	-8.2	-113.4	168.2	0	0	0	108.2
806	N	36.5	Very low	37	Very low	130 Å²	130	138.2 Å²	138.2	70%	0.695	76%	0.755	S	S	*	*			trans	44.2	158.8	155.2	-63.8	15.9	0	0	0	122.2
807	Q	35.2	Very low	36.8	Very low	172 Å²	172	135.9 Å²	135.9	80%	0.804	76%	0.757	S	S	*	*			cis	-164.5	173.4	-29.8	-111.7	-176.4	-28.1	0	0	107.4
808	P	39	Very low	36.7	Very low	102 Å²	102	134.9 Å²	134.9	66%	0.662	77%	0.765	S	S	*	*			trans	-104.1	170.5	-156.3	40.7	-39	0	0	0	117.8
809	N	36.5	Very low	36.5	Very low	158 Å²	158	138.5 Å²	138.5	85%	0.845	78%	0.775	S	S	*	*			trans	-140.1	132	144.7	-70.5	-43.7	0	0	0	104.5
810	V	36.1	Very low	36.3	Very low	125 Å²	125	139.3 Å²	139.3	76%	0.758	78%	0.784	S	S	*	*			cis	72.5	104.7	48.9	-174.6	0	0	0	0	113.2
811	V	36.8	Very low	36.2	Very low	139 Å²	139	139.7 Å²	139.7	84%	0.842	79%	0.786	S	S	*	*			trans	167.8	138.5	134.9	159.5	0	0	0	0	107.3
812	D	39.1	Very low	36.3	Very low	159 Å²	159	135.3 Å²	135.3	85%	0.85	78%	0.783	S	S	*	*			trans	-95.9	-179.1	-170.3	-103.9	-28.9	0	0	0	114
813	P	40.7	Very low	36.4	Very low	116 Å²	116	134.6 Å²	134.6	75%	0.753	78%	0.78	S	S	*	*			trans	-115	165.9	-156.3	42.5	-35.6	0	0	0	116.2
814	A	36.4	Very low	36.3	Very low	90 Å²	90	137.6 Å²	137.6	74%	0.744	79%	0.786	S	S	*	*			trans	-155.6	152.9	155.1	0	0	0	0	0	113.2
815	N	34.5	Very low	36.5	Very low	153 Å²	153	133.2 Å²	133.2	82%	0.818	77%	0.774	S	S	*	*			trans	41.9	120.8	153.5	-83.8	-47	0	0	0	121.8
816	T	37.1	Very low	36.6	Very low	132 Å²	132	135.5 Å²	135.5	81%	0.81	78%	0.781	S	S	*	*				175.1	129	99.7	-68	0	0	0	0	111
817	A	31.7	Very low	36.7	Very low	105 Å²	105	138 Å²	138	87%	0.868	79%	0.794	S	S	*	*			trans	-77.7	139.5	174.5	0	0	0	0	0	113
818	G	36.6	Very low	36.6	Very low	79 Å²	79	135.2 Å²	135.2	81%	0.814	78%	0.784	S	S	*	*			trans	-149.1	96.5	-178	0	0	0	0	0	114
819	L	31.6	Very low	36.7	Very low	178 Å²	178	140 Å²	140	93%	0.932	80%	0.795	S	S	*	*			trans	-66.4	138.9	177.6	-72.1	163.9	0	0	0	112.6
820	C	35	Very low	36.7	Very low	133 Å²	133	138 Å²	138	90%	0.899	78%	0.78	S	S	*	*			trans	-144.9	144.4	153.3	-147.3	0	0	0	0	112.3
821	Y	31.5	Very low	36.5	Very low	213 Å²	213	141.3 Å²	141.3	84%	0.835	78%	0.78	S	S	*	*			trans	-100.4	178	-168.5	-123.8	-107.7	0	0	0	112.3
822	S	36.3	Very low	36.6	Very low	102 Å²	102	140.3 Å²	140.3	71%	0.713	78%	0.777	S	S	*	*			trans	103.3	133.2	158.4	-157	0	0	0	0	117.2
823	Q	36.5	Very low	36.3	Very low	141 Å²	141	138 Å²	138	66%	0.659	77%	0.768	S	S	*	*			cis	-170.9	152.8	-24.8	-119	172.1	18.1	0	0	111
824	H	38.6	Very low	36	Very low	157 Å²	157	139.3 Å²	139.3	73%	0.727	77%	0.774	S	S	*	*			trans	74.1	162.3	145.3	-71.9	-38.4	0	0	0	120.4
825	P	43.2	Very low	35.7	Very low	88 Å²	88	142.5 Å²	142.5	57%	0.571	77%	0.773	S	S	*	*				-147	-179.2	-76.4	37.2	-14.5	0	0	0	118.2
826	H	39.8	Very low	35.5	Very low	173 Å²	173	140.7 Å²	140.7	80%	0.801	77%	0.771	S	S	*	*			trans	77.3	109.8	152.1	-55.9	-41.9	0	0	0	121.8
827	L	38.4	Very low	35.3	Very low	183 Å²	183	140.5 Å²	140.5	96%	0.958	77%	0.769	S	S	*	*				-153.3	151.5	105.9	-108.4	163.9	0	0	0	109.6
828	N	34	Very low	35.4	Very low	114 Å²	114	139.8 Å²	139.8	61%	0.61	76%	0.763	S	S	*	*			trans	-141	137.8	-163.3	177.8	10.7	0	0	0	112.5	Q830	N828-Q830 PolarHBondContact OD1-N 2.91Å
829	K	40.8	Very low	35.2	Very low	202 Å²	202	141.9 Å²	141.9	88%	0.878	76%	0.763	S	S	*	*			trans	-157.5	81.2	159.1	-107.9	171.6	-176.7	-179.4	0	112.4
830	Q	36.6	Very low	35.3	Very low	115 Å²	115	142.5 Å²	142.5	54%	0.537	76%	0.761	S	S	.	*				18.9	139.9	120.3	-68.6	174.9	-28	0	0	117.5	N828	N828-Q830 PolarHBondContact OD1-N 2.91Å
831	Y	32.5	Very low	35.2	Very low	196 Å²	196	140.9 Å²	140.9	77%	0.769	75%	0.751	S	S	*	*			cis	-174	179	11.9	-98.8	-37.9	0	0	0	108
832	P	38.4	Very low	35.2	Very low	117 Å²	117	141.4 Å²	141.4	76%	0.76	75%	0.752	S	S	*	*			cis	-128.6	166.4	-20.7	35.8	-18.9	0	0	0	114.4
833	T	31.2	Very low	35	Very low	111 Å²	111	143.2 Å²	143.2	68%	0.681	75%	0.753	S	S	*	*			trans	-81.6	153.8	175.2	-37.9	0	0	0	0	113.2
834	V	34.7	Very low	34.6	Very low	143 Å²	143	141.3 Å²	141.3	87%	0.867	76%	0.755	S	S	*	*			trans	-123.4	116.8	150.2	-178.2	0	0	0	0	108.3
835	H	31.6	Very low	34.3	Very low	158 Å²	158	145 Å²	145	73%	0.731	76%	0.763	S	S	*	*			trans	-81.1	147.5	169.7	-83.1	-104.7	0	0	0	109.9
836	C	29.8	Very low	33.6	Very low	114 Å²	114	146 Å²	146	77%	0.77	77%	0.772	S	S	*	*				-178.5	125.6	103.1	-96	0	0	0	0	114.2
837	V	32	Very low	33.1	Very low	128 Å²	128	144.6 Å²	144.6	78%	0.776	78%	0.775	S	S	*	*			trans	57	110.6	132.2	-174.4	0	0	0	0	118.6
838	A	33.8	Very low	32.7	Very low	90 Å²	90	143 Å²	143	74%	0.744	77%	0.768	S	S	*	*			trans	-86.8	160.1	149.3	0	0	0	0	0	110.4
839	P	33.9	Very low	32.5	Very low	124 Å²	124	146.9 Å²	146.9	81%	0.805	78%	0.775	S	S	*	*			trans	-125.8	172.8	132.7	37	-30.3	0	0	0	112.3
840	Q	33.1	Very low	32.1	Very low	191 Å²	191	143.9 Å²	143.9	89%	0.893	77%	0.767	S	S	*	*			trans	-100.6	-177.7	-174	-57.4	178.5	-1.3	0	0	112.8
841	S	33.6	Very low	32.3	Very low	98 Å²	98	143.4 Å²	143.4	69%	0.685	77%	0.774	S	S	*	*			trans	96.4	107.8	144.8	-151.2	0	0	0	0	120.7
842	R	31.6	Very low	32.6	Very low	225 Å²	225	138.1 Å²	138.1	85%	0.849	76%	0.764	S	S	*	*			trans	72.2	127.2	135.3	-72.3	178.6	172.2	172.6	-0.4	123.5
843	N	30.6	Very low	32.2	Very low	139 Å²	139	141.8 Å²	141.8	74%	0.743	77%	0.771	S	S	*	*			trans	80.5	100.8	136.6	-74	7.6	0	0	0	123
844	S	29.7	Very low	32.3	Very low	101 Å²	101	143 Å²	143	71%	0.706	77%	0.773	S	S	*	*				95.6	136	111.5	-60.6	0	0	0	0	121.8
845	R	30.6	Very low	32	Very low	235 Å²	235	141.9 Å²	141.9	89%	0.887	77%	0.771	S	S	*	*			trans	77.8	103.2	155.9	-76.9	-175.7	173.4	179.2	-2	120.2
846	S	28.1	Very low	32	Very low	109 Å²	109	143.5 Å²	143.5	76%	0.762	78%	0.776	S	S	*	*				53.1	103.4	129.4	62.5	0	0	0	0	119.8
847	V	30.6	Very low	32.1	Very low	144 Å²	144	143.9 Å²	143.9	87%	0.873	78%	0.78	S	S	*	*			trans	-134.3	140.3	147.2	-176.9	0	0	0	0	108.2
848	N	29.7	Very low	32.1	Very low	149 Å²	149	141.1 Å²	141.1	80%	0.797	78%	0.777	S	S	*	*			trans	-64.5	134.6	-178.9	-52.4	-56.4	0	0	0	111.5
849	Y	29	Very low	32	Very low	196 Å²	196	145 Å²	145	77%	0.769	79%	0.786	S	S	*	*			trans	-96.2	103.9	168.2	-163.4	-93.3	0	0	0	110.7
850	I	34	Very low	32.1	Very low	139 Å²	139	146 Å²	146	71%	0.713	79%	0.789	S	S	*	*	P	Polyproline II helix	trans	-82.2	124.8	170	-60.7	169.1	0	0	0	107.1
851	P	40	Very low	32.1	Very low	104 Å²	104	144 Å²	144	68%	0.675	78%	0.784	S	S	*	*	P	Polyproline II helix	trans	-65.9	127.1	175	27.6	-33.2	0	0	0	109.7	E853	P851-E853 PolarHBondContact O-N 3.4Å
852	P	38.5	Very low	32.4	Very low	86 Å²	86	144 Å²	144	56%	0.558	78%	0.782	S	S	*	*	P	Polyproline II helix	trans	-79.6	116	-174.1	29.4	-33.6	0	0	0	112.1	L854	P852-L854 PolarHBondContact O-N 3.42Å
853	E	29.5	Very low	32.3	Very low	193 Å²	193	138.4 Å²	138.4	90%	0.902	78%	0.778	S	S	*	*			trans	-64.6	103.3	156	-75.8	-162.1	157.4	0	0	109.3	P851	P851-E853 PolarHBondContact O-N 3.4Å
854	L	34.1	Very low	32.3	Very low	138 Å²	138	139.8 Å²	139.8	72%	0.723	78%	0.78	S	S	*	*			trans	-132.9	91.4	166.8	-78.3	179.8	0	0	0	111.1	P852 F856	P852-L854 PolarHBondContact O-N 3.42Å; L854-F856 PolarHBondContact O-N 3.12Å
855	S	28	Very low	32.5	Very low	118 Å²	118	146.5 Å²	146.5	83%	0.825	79%	0.791	S	S	*	*			trans	-58.9	122.4	159.3	56.7	0	0	0	0	110.1
856	F	33	Very low	32.5	Very low	193 Å²	193	143.2 Å²	143.2	85%	0.846	79%	0.785	S	S	*	*			trans	-131	103.7	168.1	-122.2	-86.1	0	0	0	111.7	L854 G858	L854-F856 PolarHBondContact O-N 3.12Å; F856-G858 PolarHBondContact O-N 3.21Å
857	S	30	Very low	32.8	Very low	122 Å²	122	146.6 Å²	146.6	85%	0.853	79%	0.794	S	S	*	*			trans	-72.5	121.9	173.8	55.5	0	0	0	0	110.9
858	G	34	Very low	32.9	Very low	69 Å²	69	143.6 Å²	143.6	71%	0.711	78%	0.779	S	S	*	*			trans	-140.3	79.9	-179.4	0	0	0	0	0	113.2	F856 V860	F856-G858 PolarHBondContact O-N 3.21Å; G858-V860 PolarHBondContact O-N 2.98Å
859	N	31	Very low	33.2	Very low	172 Å²	172	148.1 Å²	148.1	92%	0.92	79%	0.787	S	S	*	*			trans	-69.7	116.8	175.2	-82.1	-14.2	0	0	0	111.8
860	V	35.6	Very low	33.6	Very low	146 Å²	146	142.1 Å²	142.1	89%	0.885	78%	0.784	S	S	*	*			trans	-137.1	130.3	159	-175.7	0	0	0	0	109.2	G858	G858-V860 PolarHBondContact O-N 2.98Å
861	N	32.6	Very low	33.7	Very low	147 Å²	147	140.6 Å²	140.6	79%	0.786	79%	0.786	S	S	*	*			trans	-169.6	155.8	-177.3	-167.4	28.8	0	0	0	107.9
862	P	40.5	Very low	33.6	Very low	99 Å²	99	143.7 Å²	143.7	64%	0.643	79%	0.792	S	S	*	*			cis	-112.7	-175.4	-24	11.3	13.1	0	0	0	111.7
863	S	30	Very low	33.3	Very low	108 Å²	108	147.4 Å²	147.4	76%	0.755	80%	0.803	S	S	*	*				140.9	149.5	125.8	63.4	0	0	0	0	114.4
864	E	29.6	Very low	33.6	Very low	168 Å²	168	145.4 Å²	145.4	79%	0.785	80%	0.804	S	S	*	*			trans	46.3	103.3	164.3	-63.5	-178.4	176.7	0	0	119.5
865	Y	34	Very low	33.6	Very low	241 Å²	241	144.8 Å²	144.8	95%	0.945	81%	0.806	S	S	*	*				-153	132.9	103.3	-92.5	-67.8	0	0	0	110.2
866	H	29.8	Very low	34	Very low	166 Å²	166	142.9 Å²	142.9	77%	0.769	81%	0.805	S	S	*	*			trans	-131.3	112.2	-176.1	-178.3	-65.2	0	0	0	109.6
867	L	34.9	Very low	34	Very low	181 Å²	181	137 Å²	137	95%	0.948	80%	0.799	S	S	*	*			trans	-137.5	128.4	166.3	-97.1	173.7	0	0	0	109.8
868	S	33.4	Very low	34.3	Very low	80 Å²	80	139.7 Å²	139.7	56%	0.559	80%	0.798	S	S	*	*			trans	-121.5	148.6	-170	54.1	0	0	0	0	111
869	Y	36.8	Very low	34.5	Very low	245 Å²	245	143.5 Å²	143.5	96%	0.961	80%	0.802	S	S	*	*			trans	-141.2	144.2	148.7	-101.7	-79	0	0	0	110.1
870	G	35.4	Very low	34.8	Very low	69 Å²	69	142.1 Å²	142.1	71%	0.711	79%	0.792	S	S	*	*			trans	173.4	170.9	-179.6	0	0	0	0	0	111
871	S	37.9	Very low	35	Very low	107 Å²	107	141.2 Å²	141.2	75%	0.748	79%	0.788	S	S	*	*			trans	-172.6	155.4	170.2	-92	0	0	0	0	107.4
872	E	36.2	Very low	35.1	Very low	169 Å²	169	140.4 Å²	140.4	79%	0.79	78%	0.784	S	S	*	*			cis	-160.2	122.7	-20.6	-107.3	164.2	122.8	0	0	104
873	M	34	Very low	34.8	Very low	164 Å²	164	145.5 Å²	145.5	81%	0.808	79%	0.791	S	S	*	*				52.3	111.7	79.6	-105.9	-160.2	171.1	0	0	117.4	V875	M873-V875 HydrophobicContact CE-CG2 4.29Å
874	V	35.5	Very low	35.2	Very low	151 Å²	151	145 Å²	145	92%	0.915	79%	0.787	S	S	*	*			trans	-141.4	138.3	137.2	-178.2	0	0	0	0	107.8
875	V	34.2	Very low	35.5	Very low	126 Å²	126	144.6 Å²	144.6	76%	0.764	79%	0.787	S	S	*	*			trans	-142	146.6	-172.6	173.5	0	0	0	0	111.7	M873	M873-V875 HydrophobicContact CE-CG2 4.29Å
876	G	35.3	Very low	35.6	Very low	78 Å²	78	137.8 Å²	137.8	80%	0.804	77%	0.774	S	S	*	*			trans	160.6	141.7	160.3	0	0	0	0	0	113.4
877	G	33.1	Very low	35.8	Very low	69 Å²	69	136.2 Å²	136.2	71%	0.711	78%	0.775	S	S	*	*			cis	164	140.6	-8.1	0	0	0	0	0	113.3
878	E	35.6	Very low	36.2	Very low	179 Å²	179	133.7 Å²	133.7	84%	0.836	77%	0.77	S	S	*	*			trans	65.1	141.5	170.5	-35	-174	167.1	0	0	117
879	N	38	Very low	36.1	Very low	149 Å²	149	137.1 Å²	137.1	80%	0.797	78%	0.782	S	S	*	*			cis	-150.3	171.5	27.7	-104.7	-67.9	0	0	0	113.1
880	M	37.6	Very low	36.5	Very low	143 Å²	143	131.1 Å²	131.1	70%	0.704	78%	0.776	S	S	*	*			trans	-100.7	175.8	-172.5	-127.5	-162.3	-170	0	0	113.7	N882	M880-N882 WeakPolarHBondContact CE-OD1 3.49Å
881	P	39.7	Very low	36.4	Very low	126 Å²	126	136.5 Å²	136.5	82%	0.818	78%	0.782	S	S	*	*				-148.2	174.2	52.6	41.1	-19.1	0	0	0	119.7
882	N	35.5	Very low	36.2	Very low	130 Å²	130	140.4 Å²	140.4	70%	0.695	79%	0.786	S	S	*	*			trans	-71.5	157.7	-174.2	-62.9	-39.3	0	0	0	118.2	M880	M880-N882 WeakPolarHBondContact CE-OD1 3.49Å
883	R	34.8	Very low	36.1	Very low	206 Å²	206	139.2 Å²	139.2	78%	0.777	78%	0.78	S	S	*	*			trans	-154.1	134.7	130.6	-139.9	166.2	-179	-104.7	6.6	114.4	D383	D383-R883 IonicContact OD1-CZ 3.94Å; D383-R883 IonicContact OD1-NH2 2.72Å; D383-R883 PolarHBondContact OD1-NH2 3.23Å
884	S	37.2	Very low	36.2	Very low	98 Å²	98	137.1 Å²	137.1	69%	0.685	78%	0.779	S	S	*	*			trans	-47.5	166.1	174.6	-135.8	0	0	0	0	115.8	C886	S884-C886 PolarHBondContact OG-SG 3.43Å
885	M	37.2	Very low	36.1	Very low	160 Å²	160	141.2 Å²	141.2	79%	0.788	78%	0.778	S	S	*	*			cis	-156.2	172.4	35.6	-69.2	-173.2	70.5	0	0	111.2
886	C	34.9	Very low	35.8	Very low	97 Å²	97	140.2 Å²	140.2	66%	0.655	78%	0.777	S	S	*	*			cis	-171.6	169.7	-27.8	-91	0	0	0	0	108.9	S884	S884-C886 PolarHBondContact OG-SG 3.43Å
887	V	34.2	Very low	35.8	Very low	133 Å²	133	142.2 Å²	142.2	81%	0.806	78%	0.778	S	S	*	*			trans	-125	150	169.8	178.3	0	0	0	0	109.2
888	P	44.1	Very low	35.5	Very low	128 Å²	128	148.3 Å²	148.3	83%	0.831	79%	0.785	S	S	*	*			trans	-99	94.9	172.4	35.5	-28.7	0	0	0	112.8
889	D	31.7	Very low	35.3	Very low	153 Å²	153	147.6 Å²	147.6	82%	0.818	79%	0.786	S	S	*	*			trans	-94.1	149.6	162.6	-131	-28.7	0	0	0	109.5
890	S	43.3	Very low	34.8	Very low	119 Å²	119	149.1 Å²	149.1	83%	0.832	79%	0.791	S	S	*	*			trans	-144.3	86.6	179	65.4	0	0	0	0	116.1
891	H	33.6	Very low	34.6	Very low	182 Å²	182	145.9 Å²	145.9	84%	0.843	79%	0.794	S	S	*	*			trans	-86	156.1	156.7	-90.3	-64.2	0	0	0	111.9
892	F	34.1	Very low	34.1	Very low	188 Å²	188	145.6 Å²	145.6	83%	0.825	80%	0.795	S	S	*	*			trans	143	139.7	157.7	-94.8	-135.8	0	0	0	109.3
893	Q	33.4	Very low	34	Very low	144 Å²	144	149.1 Å²	149.1	67%	0.673	80%	0.804	S	S	*	*			cis	-143.9	163.1	-5.9	-67.9	-158.3	-53	0	0	110.3
894	P	37.7	Very low	33.6	Very low	121 Å²	121	149.4 Å²	149.4	79%	0.786	81%	0.805	S	S	*	*			trans	-87.8	142.7	166.9	34.8	-32.9	0	0	0	112.9
895	W	32.4	Very low	33.3	Very low	237 Å²	237	152.3 Å²	152.3	90%	0.898	81%	0.812	S	S	*	*			trans	-148.6	129.5	161.7	-155.2	-65.6	0	0	0	111.8
896	S	29.1	Very low	32.9	Very low	104 Å²	104	150.1 Å²	150.1	73%	0.727	80%	0.804	S	S	*	*			trans	-102.4	130.1	-179.2	60.2	0	0	0	0	112.6
897	S	34.1	Very low	32.7	Very low	120 Å²	120	152.3 Å²	152.3	84%	0.839	81%	0.814	S	S	*	*			trans	-163.2	138.2	151.9	-90.4	0	0	0	0	115.1
898	K	27.9	Very low	32.4	Very low	197 Å²	197	152.2 Å²	152.2	86%	0.857	81%	0.813	S	S	*	*			trans	-50	144.3	177.4	-55.8	155.1	178	171.7	0	114.3
899	L	31.5	Very low	31.8	Very low	164 Å²	164	149.7 Å²	149.7	86%	0.859	81%	0.811	S	S	*	*				-154.2	166	106.8	-137.5	66.9	0	0	0	113
900	M	27.2	Very low	31.7	Very low	182 Å²	182	149 Å²	149	90%	0.897	81%	0.807	S	S	*	*			trans	-84.3	154.4	-170.5	-56.1	172.9	-77.6	0	0	112.6
901	G	33.1	Very low	31.2	Very low	75 Å²	75	149.1 Å²	149.1	77%	0.773	80%	0.802	S	S	*	*			trans	-161.4	15.9	179	0	0	0	0	0	118	K903	G901-K903 PolarHBondContact O-N 2.89Å
902	S	29.2	Very low	31	Very low	119 Å²	119	147.2 Å²	147.2	83%	0.832	80%	0.799	S	S	*	*			trans	-65.1	125	-175.8	-46.8	0	0	0	0	113.4
903	K	33.8	Very low	31.1	Very low	204 Å²	204	142.1 Å²	142.1	89%	0.887	80%	0.799	S	S	*	*			trans	-157.9	96.8	148.3	-117.7	164.9	-171.7	179.1	0	114.4	G901	G901-K903 PolarHBondContact O-N 2.89Å
904	R	26.4	Very low	31	Very low	212 Å²	212	141 Å²	141	80%	0.8	80%	0.802	S	S	*	*			trans	-46.5	135.4	151.5	171.4	-167.6	-171	166.3	8.2	110.9	D906	R904-D906 IonicContact NE-OD2 3.12Å
905	L	31.3	Very low	30.8	Very low	159 Å²	159	142.8 Å²	142.8	83%	0.832	80%	0.803	S	S	*	*			trans	-159.2	124.7	147.4	-119.1	160.7	0	0	0	110.6
906	D	27.7	Very low	30.8	Very low	114 Å²	114	140.6 Å²	140.6	61%	0.61	80%	0.8	S	S	*	*			trans	-69.3	158.6	168.1	-36.5	-104.1	0	0	0	110.1	R904	R904-D906 IonicContact NE-OD2 3.12Å
907	V	31.8	Very low	30.9	Very low	143 Å²	143	142.9 Å²	142.9	87%	0.867	80%	0.803	S	S	*	*			trans	-179.3	135.7	134.5	143.2	0	0	0	0	111.9
908	V	26.8	Very low	30.9	Very low	131 Å²	131	145 Å²	145	79%	0.794	81%	0.806	S	S	*	*			trans	-67.4	142.8	173.8	175.9	0	0	0	0	111.4
909	G	32	Very low	31.4	Very low	76 Å²	76	140.4 Å²	140.4	78%	0.784	80%	0.796	S	S	*	*			trans	-157.7	91.2	175.6	0	0	0	0	0	114.4
910	N	29.3	Very low	31.6	Very low	138 Å²	138	139 Å²	139	74%	0.738	79%	0.794	S	S	*	*			trans	-69	165.2	167.2	-64.7	5.4	0	0	0	111.2
911	V	32.6	Very low	32.1	Very low	121 Å²	121	138.3 Å²	138.3	73%	0.733	79%	0.788	S	S	*	*				162.4	110.6	111.9	163.5	0	0	0	0	110.8
912	D	30.5	Very low	32.1	Very low	143 Å²	143	140.8 Å²	140.8	77%	0.765	79%	0.788	S	S	*	*			trans	44.6	134.7	139	-46.7	-14.4	0	0	0	123.1
913	G	35.4	Very low	32.4	Very low	81 Å²	81	138.5 Å²	138.5	84%	0.835	78%	0.783	S	S	*	*			trans	-143.7	31.1	169.3	0	0	0	0	0	113.4
914	T	30.4	Very low	32.5	Very low	119 Å²	119	134.5 Å²	134.5	73%	0.73	77%	0.772	S	S	*	*			trans	-72.1	123.2	-162.7	-48.8	0	0	0	0	115.3
915	I	34	Very low	32.9	Very low	159 Å²	159	134.5 Å²	134.5	82%	0.815	78%	0.778	S	S	*	*			trans	-135.5	100.9	161.4	-58.6	-175	0	0	0	112.7
916	K	33.5	Very low	33.1	Very low	192 Å²	192	132.5 Å²	132.5	84%	0.835	77%	0.767	S	S	*	*			trans	53.9	106.5	142.9	-63.9	-169.1	171.1	-168.4	0	122.7
917	L	30.3	Very low	33.6	Very low	151 Å²	151	135 Å²	135	79%	0.791	77%	0.774	S	S	*	*			trans	-35	158.7	135.4	-55.8	159.2	0	0	0	115.8
918	D	33.7	Very low	33.8	Very low	166 Å²	166	132.9 Å²	132.9	89%	0.888	77%	0.766	S	S	*	*				-152.5	149.8	107.3	-99.4	-29.2	0	0	0	111.9
919	P	38.9	Very low	34.1	Very low	100 Å²	100	134.7 Å²	134.7	65%	0.649	77%	0.77	S	S	*	*			trans	-130.7	161.4	-162.5	41.2	-25.3	0	0	0	117.1
920	V	36.6	Very low	34.6	Very low	134 Å²	134	137.1 Å²	137.1	81%	0.812	77%	0.772	S	S	*	*			trans	-144.1	121.2	166.3	-174.4	0	0	0	0	113
921	H	36.1	Very low	34.9	Very low	168 Å²	168	137.8 Å²	137.8	78%	0.778	78%	0.776	S	S	*	*			trans	19.8	128	156	-59.5	73.9	0	0	0	121
922	V	34.3	Very low	35	Very low	126 Å²	126	139.5 Å²	139.5	76%	0.764	78%	0.78	S	S	*	*			cis	83.4	125.9	32.8	-176.1	0	0	0	0	115.2
923	G	34.3	Very low	35.4	Very low	72 Å²	72	138.4 Å²	138.4	74%	0.742	78%	0.784	S	S	*	*			trans	165.9	50.9	179	0	0	0	0	0	112.9
924	N	36.7	Very low	35.5	Very low	120 Å²	120	140.3 Å²	140.3	64%	0.642	78%	0.781	S	S	*	*				62.7	110.9	103.7	-82.5	8.8	0	0	0	116.6
925	F	35.2	Very low	35.9	Very low	211 Å²	211	139.2 Å²	139.2	93%	0.925	78%	0.784	S	S	*	*				-149.8	143	111.8	-111.7	-79	0	0	0	109.7
926	I	35	Very low	36	Very low	118 Å²	118	138 Å²	138	61%	0.605	79%	0.787	S	S	*	*			trans	-145	161.9	-168.8	-54	177	0	0	0	108.8
927	H	38.1	Very low	36.2	Very low	166 Å²	166	133.1 Å²	133.1	77%	0.769	78%	0.777	S	S	*	*			trans	116	135	155.3	-64.7	-68.2	0	0	0	115.6
928	S	35.9	Very low	36.7	Very low	98 Å²	98	132.6 Å²	132.6	69%	0.685	78%	0.775	S	S	*	*			cis	-157.2	151.8	-1.6	-111	0	0	0	0	113.6
929	L	33.9	Very low	37.1	Very low	169 Å²	169	131.4 Å²	131.4	89%	0.885	77%	0.769	S	S	*	*			trans	-100.4	148	152.6	-80.1	167.4	0	0	0	109.3
930	P	42.3	Very low	37.1	Very low	128 Å²	128	133.5 Å²	133.5	83%	0.831	77%	0.774	S	S	*	*			trans	-117.1	163.5	160.4	36.6	-26.3	0	0	0	113.4
931	D	35.7	Very low	37.6	Very low	152 Å²	152	138 Å²	138	81%	0.813	78%	0.778	S	S	*	*			trans	-106.9	179.3	-168.3	-164.2	9.6	0	0	0	113.3
932	L	34.1	Very low	37.9	Very low	156 Å²	156	136.6 Å²	136.6	82%	0.817	78%	0.776	S	S	*	*			trans	-68.7	140.6	-167.3	-63.4	160	0	0	0	116.3
933	S	38.2	Very low	38.1	Very low	121 Å²	121	139 Å²	139	85%	0.846	78%	0.779	S	S	*	*			trans	-158.4	156.3	142.6	-30.4	0	0	0	0	111.1
934	P	39.4	Very low	38.5	Very low	120 Å²	120	144.2 Å²	144.2	78%	0.779	78%	0.784	S	S	*	*			trans	-115.5	149.8	-166.9	39.2	-29.9	0	0	0	117
935	A	37.9	Very low	38.7	Very low	97 Å²	97	145.9 Å²	145.9	80%	0.802	79%	0.793	S	S	*	*			trans	58.4	140.1	150.8	0	0	0	0	0	119
936	P	36.9	Very low	39.2	Very low	133 Å²	133	143.5 Å²	143.5	86%	0.864	79%	0.79	S	S	*	*				-133.9	-156.9	61.6	40.7	-24	0	0	0	114.3
937	S	36	Very low	39.6	Very low	90 Å²	90	144.9 Å²	144.9	63%	0.629	80%	0.799	S	S	*	*			trans	-125.9	177.9	-157.9	50.7	0	0	0	0	115
938	D	40.9	Very low	39.9	Very low	139 Å²	139	144.9 Å²	144.9	74%	0.743	81%	0.805	S	S	*	*			trans	84	166.6	154.8	-48	-47	0	0	0	120.1
939	D	42	Very low	40.2	Very low	142 Å²	142	146.5 Å²	146.5	76%	0.759	81%	0.806	S	S	*	*			trans	76.6	77.8	172.5	-58.2	-12.7	0	0	0	119.4
940	D	39.6	Very low	40.7	Very low	144 Å²	144	145.4 Å²	145.4	77%	0.77	80%	0.8	S	S	*	*			trans	-1.7	134.7	136.1	-49.7	-35.1	0	0	0	119.1
941	Y	47.5	Very low	40.8	Very low	228 Å²	228	147.7 Å²	147.7	89%	0.894	80%	0.8	S	S	*	*			trans	-142.6	134.3	147.8	-85.8	-82.8	0	0	0	109.4
942	D	41.2	Very low	41.1	Very low	138 Å²	138	147.6 Å²	147.6	74%	0.738	80%	0.8	S	S	*	*			trans	-85.5	-175.6	-173.9	-53.6	-76	0	0	0	113.4
943	E	40	Very low	41.6	Very low	176 Å²	176	147 Å²	147	82%	0.822	80%	0.797	S	S	*	*			trans	24.3	141.5	143.5	-67.3	166	-165	0	0	118.9
944	E	42.2	Very low	41.7	Very low	182 Å²	182	148.1 Å²	148.1	85%	0.85	79%	0.794	S	S	*	*				-146.1	153.5	57.5	-74.2	158.7	155.5	0	0	112.7
945	D	41.4	Very low	41.9	Very low	155 Å²	155	149.2 Å²	149.2	83%	0.829	79%	0.793	S	S	*	*			trans	-86.4	142.4	162.4	-62.3	-67.9	0	0	0	109.1
946	D	45.6	Very low	42	Very low	162 Å²	162	151.9 Å²	151.9	87%	0.866	79%	0.789	S	S	*	*			trans	-133.2	118.7	164.8	-91.4	-38.3	0	0	0	108.5
947	D	42	Very low	42	Very low	147 Å²	147	150.8 Å²	150.8	79%	0.786	78%	0.78	S	S	*	*			trans	-81.3	155.5	163.4	-61.7	-67.9	0	0	0	109.5
948	D	45.8	Very low	42.2	Very low	166 Å²	166	153.5 Å²	153.5	89%	0.888	78%	0.78	S	S	*	*			trans	-167.9	112	148.1	-105.8	-15.5	0	0	0	111.1
949	D	42.8	Very low	42	Very low	132 Å²	132	154.4 Å²	154.4	71%	0.706	78%	0.78	S	S	*	*			trans	-21	151.2	160.7	-58.6	-25.3	0	0	0	120.9
950	D	43.7	Very low	41.9	Very low	145 Å²	145	151.1 Å²	151.1	78%	0.775	78%	0.779	S	S	*	*			trans	61.1	168.3	142.9	-58.9	-20	0	0	0	119.1
951	E	43.3	Very low	41.9	Very low	177 Å²	177	153.1 Å²	153.1	83%	0.827	78%	0.784	S	S	*	*			cis	-143.9	-171.7	5.9	-147.4	164.7	-152	0	0	110.2
952	D	42.3	Very low	41.5	Very low	150 Å²	150	151 Å²	151	80%	0.802	78%	0.782	S	S	*	*			trans	-74.4	-161.5	-167.4	-66.5	-65.8	0	0	0	117.6
953	D	44.5	Very low	41.7	Very low	143 Å²	143	151.4 Å²	151.4	77%	0.765	79%	0.785	S	S	*	*			trans	89.1	94.6	159.7	-64.4	-7.9	0	0	0	120.7
954	D	41.2	Very low	41.8	Very low	144 Å²	144	151.2 Å²	151.2	77%	0.77	78%	0.784	S	S	*	*				61.7	167.8	113.5	-73.5	-5.4	0	0	0	123.7
955	D	43.2	Very low	41.8	Very low	143 Å²	143	149.5 Å²	149.5	77%	0.765	78%	0.781	S	S	*	*			trans	60.7	147.1	166.3	-73.5	-4.2	0	0	0	119.9
956	E	39.3	Very low	41.7	Very low	153 Å²	153	150.2 Å²	150.2	72%	0.715	78%	0.779	S	S	*	*			cis	175.3	120.6	-28	-122.4	-153.7	165.9	0	0	105.5
957	T	36.7	Very low	41.5	Very low	110 Å²	110	147.6 Å²	147.6	68%	0.675	77%	0.773	S	S	*	*			trans	64.8	165	147.6	70.3	0	0	0	0	123
958	K	40.7	Very low	41.5	Very low	147 Å²	147	144.4 Å²	144.4	64%	0.639	77%	0.767	S	S	*	*			trans	116.7	110.2	153.1	-63.5	-171.2	165.6	-71.8	0	116.6
959	E	37	Very low	41.2	Very low	159 Å²	159	143.3 Å²	143.3	74%	0.743	76%	0.762	S	S	*	*				78.3	137.6	88.1	-70.2	158.2	-167.8	0	0	112.9
960	G	40.3	Very low	41.2	Very low	72 Å²	72	144.4 Å²	144.4	74%	0.742	77%	0.767	S	S	*	*			cis	-119.1	-152.6	-10.9	0	0	0	0	0	110.8
961	E	39.5	Very low	41	Very low	187 Å²	187	145.7 Å²	145.7	87%	0.874	77%	0.769	S	S	*	*			cis	-135.4	136.6	10.4	-61	162.2	145.5	0	0	106.1
962	E	39.9	Very low	40.8	Very low	182 Å²	182	142.2 Å²	142.2	85%	0.85	76%	0.756	S	S	*	*				71.9	108.7	55.8	-68	-165.8	172.6	0	0	115.3
963	D	44.5	Very low	40.7	Very low	147 Å²	147	139.8 Å²	139.8	79%	0.786	75%	0.748	S	S	*	*			trans	177.7	106.6	146.7	-92.6	-9.8	0	0	0	106.6
964	E	43	Very low	40.1	Very low	173 Å²	173	142.4 Å²	142.4	81%	0.808	75%	0.747	S	S	*	*				68.6	129.8	100.5	-66.8	-171.6	170.3	0	0	113.9
965	D	40.9	Very low	39.7	Very low	146 Å²	146	142.4 Å²	142.4	78%	0.781	75%	0.745	S	S	*	*			cis	-162.7	-172.9	24	-150.2	-13.5	0	0	0	113.9
966	E	39.9	Very low	39.5	Very low	170 Å²	170	143.2 Å²	143.2	79%	0.794	74%	0.743	S	S	*	*			trans	83.5	68.2	164.8	-59.4	-152.1	140.2	0	0	121.4
967	S	41.9	Very low	39.3	Very low	106 Å²	106	140.6 Å²	140.6	74%	0.741	74%	0.742	S	S	*	*				79.7	128.5	117.1	75	0	0	0	0	123.8
968	A	41.9	Very low	39.3	Very low	81 Å²	81	141.8 Å²	141.8	67%	0.669	74%	0.743	S	S	*	*				55.8	146.6	127.7	0	0	0	0	0	122
969	D	39.8	Very low	39.3	Very low	143 Å²	143	142 Å²	142	77%	0.765	75%	0.747	S	S	*	*			cis	-168.5	173.5	-15.7	-98.8	-32	0	0	0	106.8
970	D	41.2	Very low	39.4	Very low	155 Å²	155	141 Å²	141	83%	0.829	74%	0.741	S	S	*	*			trans	64.3	153.6	164.9	-65.8	-23.3	0	0	0	118.9
971	E	41.2	Very low	39.4	Very low	171 Å²	171	144.9 Å²	144.9	80%	0.799	74%	0.74	S	S	*	*			cis	-174.6	151.6	-38.9	-112.6	-94.8	121.8	0	0	107.6
972	D	37.2	Very low	39.3	Very low	104 Å²	104	141.9 Å²	141.9	56%	0.556	73%	0.725	S	S	*	*			trans	37.8	131.3	161.3	-162.1	69.6	0	0	0	122.7	R974	D972-R974 IonicContact OD1-NH2 3.86Å; D972-R974 PolarHBondContact OD1-NH2 2.95Å; D972-R974 IonicContact OD2-CZ 3.08Å; D972-R974 IonicContact OD2-NE 3.24Å; D972-R974 PolarHBondContact OD2-NE 3.02Å; D972-R974 IonicContact OD2-NH2 3.48Å; D972-R974 PolarHBondContact OD2-NH2 3.08Å
973	P	42.2	Very low	39.1	Very low	99 Å²	99	141.7 Å²	141.7	64%	0.643	72%	0.717	S	S	*	*			trans	-93.2	158.5	177.7	37.4	-35.5	0	0	0	113.8
974	R	31.4	Very low	38.6	Very low	199 Å²	199	140.8 Å²	140.8	75%	0.751	71%	0.708	S	S	*	*			trans	-171.6	144.7	144.7	-110.1	155.4	-81.8	-152.2	-5.4	117.4	D972	D972-R974 IonicContact OD1-NH2 3.86Å; D972-R974 PolarHBondContact OD1-NH2 2.95Å; D972-R974 IonicContact OD2-CZ 3.08Å; D972-R974 IonicContact OD2-NE 3.24Å; D972-R974 PolarHBondContact OD2-NE 3.02Å; D972-R974 IonicContact OD2-NH2 3.48Å; D972-R974 PolarHBondContact OD2-NH2 3.08Å
975	M	33.2	Very low	38.4	Very low	144 Å²	144	138.5 Å²	138.5	71%	0.709	70%	0.697	S	S	*	*			trans	58.2	121.6	146.3	-60.8	-125.8	-71.5	0	0	121.7
976	H	38.9	Very low	38.1	Very low	160 Å²	160	138.2 Å²	138.2	74%	0.741	69%	0.691	S	S	*	*				151.5	101.6	117.5	-80.3	-69.2	0	0	0	109.1
977	S	35.1	Very low	38	Very low	97 Å²	97	136.4 Å²	136.4	68%	0.678	68%	0.682	S	S	*	*				74.5	119.3	60.3	-168.4	0	0	0	0	114.4
978	L	36.3	Very low	37.6	Very low	136 Å²	136	139.5 Å²	139.5	71%	0.712	68%	0.684	S	S	*	*				149.4	116.4	128.3	-75.6	174.1	0	0	0	114
979	H	39.4	Very low	37.1	Very low	152 Å²	152	139.9 Å²	139.9	70%	0.704	68%	0.682	S	S	*	*			trans	71.5	150.8	145.9	-66.3	51.4	0	0	0	118.6
980	H	39.5	Very low	36.8	Very low	137 Å²	137	140.7 Å²	140.7	63%	0.634	68%	0.681	S	S	*	*			cis	-152.2	140.3	7.5	-135.2	-23.5	0	0	0	112.2
981	H	40.3	Very low	36.4	Very low	154 Å²	154	142.1 Å²	142.1	71%	0.713	68%	0.676	S	S	*	*			trans	39.4	147.9	146.1	-73.3	-15.7	0	0	0	122.8
982	H	38.5	Very low	35.9	Very low	123 Å²	123	144.2 Å²	144.2	57%	0.569	68%	0.678	S	S	*	*			cis	-156.7	141.5	21.5	-149.6	52.9	0	0	0	113.8
983	R	34.6	Very low	35.7	Very low	179 Å²	179	143 Å²	143	68%	0.675	69%	0.69	S	S	*	*			trans	57.9	122.8	151	-75	-160.2	158.5	121	-6.3	120.9
984	Q	34.9	Very low	35.2	Very low	127 Å²	127	147.4 Å²	147.4	59%	0.593	70%	0.702	S	S	*	*				75.5	139	65.8	-75	178.3	-16	0	0	112.9
985	H	37.3	Very low	35.5	Very low	126 Å²	126	143.1 Å²	143.1	58%	0.583	70%	0.7	S	S	*	*			cis	-162.4	151.2	11	-105.3	-51.1	0	0	0	110.6
986	H	36.6	Very low	35.5	Very low	139 Å²	139	140.8 Å²	140.8	64%	0.644	70%	0.698	S	S	*	*			trans	52.8	160.4	139.5	-64.7	-46.6	0	0	0	121.8
987	H	36.6	Very low	35.1	Very low	133 Å²	133	140.4 Å²	140.4	62%	0.616	70%	0.701	S	S	*	*			cis	-152.2	142.4	-9.7	-121.7	-53.8	0	0	0	110
988	H	33.8	Very low	35.1	Very low	170 Å²	170	142 Å²	142	79%	0.787	71%	0.707	S	S	*	*				37.4	145.3	129.9	-87.9	18.4	0	0	0	124.1
989	S	31.9	Very low	35	Very low	90 Å²	90	140.4 Å²	140.4	63%	0.629	71%	0.707	S	S	*	*				96.1	97.7	126	175.6	0	0	0	0	120.8
990	H	32.7	Very low	34.7	Very low	160 Å²	160	138 Å²	138	74%	0.741	71%	0.708	S	S	*	*				88.4	132.4	123.8	-75.2	-38	0	0	0	123.2
991	Y	33	Very low	34.4	Very low	185 Å²	185	136.7 Å²	136.7	73%	0.725	71%	0.709	S	S	*	*			trans	82	115.2	141	-86	-123.8	0	0	0	121
992	Y	31.4	Very low	34.1	Very low	215 Å²	215	139 Å²	139	84%	0.843	71%	0.713	S	S	*	*			trans	33.4	121.4	134	-70.8	-89.8	0	0	0	120.4
993	G	31.9	Very low	34	Very low	78 Å²	78	139.8 Å²	139.8	80%	0.804	72%	0.717	S	S	*	*			trans	161.8	104.1	153.4	0	0	0	0	0	116.8
994	H	32.2	Very low	34	Very low	191 Å²	191	139 Å²	139	88%	0.884	72%	0.719	S	S	*	*			trans	-64.8	163.1	147.9	-77.8	-63.1	0	0	0	109.6
995	P	37.1	Very low	34	Very low	109 Å²	109	140 Å²	140	71%	0.708	73%	0.727	S	S	*	*			cis	-146.8	171.6	27.6	42.5	-22.4	0	0	0	119.1
996	S	32.8	Very low	33.7	Very low	95 Å²	95	140.9 Å²	140.9	66%	0.664	74%	0.736	S	S	*	*			trans	53.5	120.6	139.8	68.8	0	0	0	0	123.5
997	N	32.3	Very low	33.8	Very low	152 Å²	152	139.5 Å²	139.5	81%	0.813	74%	0.739	S	S	*	*				82.9	151	129.5	-91.8	-16.3	0	0	0	123.5
998	T	35	Very low	34	Very low	130 Å²	130	137.4 Å²	137.4	80%	0.798	74%	0.738	S	S	*	*			trans	77.6	105.7	162.7	53.9	0	0	0	0	121.9
999	S	33	Very low	34	Very low	103 Å²	103	137.1 Å²	137.1	72%	0.72	74%	0.736	S	S	*	*				70.2	122	117.6	-158	0	0	0	0	122.7
1000	S	34.4	Very low	33.9	Very low	102 Å²	102	140.7 Å²	140.7	71%	0.713	75%	0.747	S	S	*	*			trans	62.6	152.1	138.1	59.1	0	0	0	0	121.9
1001	V	32.7	Very low	33.8	Very low	110 Å²	110	141.1 Å²	141.1	67%	0.667	75%	0.751	S	S	*	*			cis	178.5	158.8	-24.7	168.8	0	0	0	0	103.2
1002	Y	34.2	Very low	33.7	Very low	203 Å²	203	137.5 Å²	137.5	80%	0.796	75%	0.75	S	S	*	*			trans	80.6	148.9	172.3	-60.5	-77.7	0	0	0	117.6
1003	Q	34.8	Very low	33.6	Very low	138 Å²	138	135.8 Å²	135.8	65%	0.645	75%	0.754	S	S	*	*			cis	-174.1	178.2	-37.9	-126.4	-174.8	-3.7	0	0	110.9
1004	F	34.7	Very low	33.5	Very low	164 Å²	164	140.1 Å²	140.1	72%	0.719	75%	0.753	S	S	*	*			trans	92.7	116.6	152.2	-70.3	-59.7	0	0	0	123.3
1005	L	35.1	Very low	33.5	Very low	148 Å²	148	138 Å²	138	78%	0.775	75%	0.754	S	S	*	*			trans	87.5	83.7	133.3	-62.1	169	0	0	0	122.8
1006	D	30.7	Very low	33.1	Very low	144 Å²	144	137.5 Å²	137.5	77%	0.77	75%	0.753	S	S	*	*				26.6	162.6	92.6	-83.4	-7	0	0	0	121.8
1007	P	40.6	Very low	33	Very low	109 Å²	109	139.6 Å²	139.6	71%	0.708	76%	0.756	S	S	*	*			cis	-133.8	-129.9	-21	37.6	-16.1	0	0	0	109.1
1008	P	39.6	Very low	33.2	Very low	89 Å²	89	138.6 Å²	138.6	58%	0.578	75%	0.747	S	S	*	*			cis	-127.6	157.2	-39.1	33.8	-17.4	0	0	0	115.2
1009	H	34.6	Very low	33.3	Very low	164 Å²	164	137.1 Å²	137.1	76%	0.759	74%	0.742	S	S	*	*				170.6	126.4	113.3	-96	-64.7	0	0	0	114.5
1010	I	29	Very low	33.8	Very low	165 Å²	165	140.2 Å²	140.2	85%	0.846	75%	0.745	S	S	*	*			trans	58.8	90.4	160.6	-47.4	175.6	0	0	0	115.4
1011	M	31.9	Very low	34.2	Very low	170 Å²	170	142.2 Å²	142.2	84%	0.837	74%	0.737	S	S	*	*			trans	-131.9	161.2	173.2	-77.6	-77.7	-78.5	0	0	110.6
1012	P	30.6	Very low	35.1	Very low	109 Å²	109	143.7 Å²	143.7	71%	0.708	75%	0.747	S	S	*	*			trans	-63.8	161.7	173.2	-19.5	33.3	0	0	0	113	E1014	P1012-E1014 PolarHBondContact O-N 2.79Å
1013	I	28.7	Very low	36.7	Very low	178 Å²	178	137.4 Å²	137.4	91%	0.913	73%	0.727	S	S	*	*			trans	-86.3	94.5	-176.7	-56.8	174	0	0	0	109.9
1014	E	29.8	Very low	38.1	Very low	170 Å²	170	132.7 Å²	132.7	79%	0.794	71%	0.708	S	S	*	*			trans	-119.2	132.3	165.6	-68.5	-166.1	138.7	0	0	111.2	P1012	P1012-E1014 PolarHBondContact O-N 2.79Å
1015	T	31.6	Very low	39.7	Very low	146 Å²	146	128.3 Å²	128.3	90%	0.896	69%	0.692	S	S	*	*			trans	29	102.8	160.8	58.2	0	0	0	0	119.2
1016	S	30.2	Very low	41.4	Very low	99 Å²	99	123.3 Å²	123.3	69%	0.692	67%	0.672	S	S	*	*			trans	-131.2	127.2	161.3	64.1	0	0	0	0	111.7
1017	D	30.5	Very low	43.2	Very low	138 Å²	138	118 Å²	118	74%	0.738	64%	0.643	S	S	*	*			trans	35.6	96.5	165.1	-66	-22.7	0	0	0	118.7
1018	H	35.5	Very low	44.6	Very low	131 Å²	131	112.9 Å²	112.9	61%	0.606	61%	0.609	S	S	*	*			trans	-115.6	25.3	167.9	-81.5	8.7	0	0	0	113.4	H1020 Y1021 M1027	H1018-H1020 VanDerWaalsContact C-N 3.3Å; H1018-Y1021 AromaticContact ND1-CD2 3.94Å; H1018-M1027 HydrophobicContact CB-CE 3.74Å; H1018-M1027 WeakPolarHBondContact CD2-CE 3.49Å
1019	S	36.7	Very low	46	Very low	99 Å²	99	112.7 Å²	112.7	69%	0.692	61%	0.606	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84	2.6	167.6	51.9	0	0	0	0	114
1020	H	44.5	Very low	47.8	Very low	169 Å²	169	109.1 Å²	109.1	78%	0.782	61%	0.606	S	S	*	*	T	Hydrogen-bonded Turn	trans	-135.6	32.4	178.1	-97.7	-63.5	0	0	0	114.5	H1018	H1018-H1020 VanDerWaalsContact C-N 3.3Å
1021	Y	41.7	Very low	49.6	Very low	143 Å²	143	103.9 Å²	103.9	56%	0.561	59%	0.587	S	S	*	*			trans	-119.7	75.7	170.3	-86.7	-82.8	0	0	0	111.3	H1018 D1023 M1027	H1018-Y1021 AromaticContact ND1-CD2 3.94Å; Y1021-D1023 PolarHBondContact O-N 3.1Å; Y1021-M1027 VanDerWaalsContact CB-CE 3.48Å; Y1021-M1027 HydrophobicContact CG-CE 4.4Å
1022	T	52.8	Low	51.6	Low	141 Å²	141	99 Å²	99	87%	0.865	58%	0.58	S	S	*	*			trans	-77.6	34.1	178.3	59.5	0	0	0	0	113.4
1023	D	66.2	Low	53.6	Low	72 Å²	72	95.4 Å²	95.4	39%	0.385	56%	0.555	S	S	.	*			trans	-134.2	99.1	168.6	-179.7	22.6	0	0	0	110.7	Y1021 L1025 A1026 M1027	Y1021-D1023 PolarHBondContact O-N 3.1Å; D1023-L1025 PolarHBondContact O-N 3.1Å; D1023-L1025 WeakPolarHBondContact OD1-CB 3.38Å; D1023-L1025 PolarHBondContact OD1-N 3.43Å; D1023-A1026 HydrophobicContact CB-CB 4.04Å; D1023-A1026 PolarHBondContact O-N 2.9Å; D1023-A1026 VanDerWaalsContact OD2-CB 3.29Å; D1023-A1026 WeakPolarHBondContact OD2-CB 3.36Å; D1023-A1026 PolarHBondContact OD2-N 3.02Å; D1023-M1027 PolarHBondContact O-N 2.93Å
1024	P	64.2	Low	55.7	Low	38 Å²	38	90 Å²	90	25%	0.247	53%	0.531	C	S	.	.	H	α-helix	trans	-55.7	-25.4	170.5	-30.2	39.3	0	0	0	114.6	A1028 A1042 A1045	P1024-A1028 WeakPolarHBondContact O-CB 3.35Å; P1024-A1028 PolarHBondContact O-N 2.84Å; P1024-A1042 HydrophobicContact CB-CB 3.9Å; P1024-A1045 HydrophobicContact CB-CB 3.84Å; P1024-A1045 HydrophobicContact CG-CB 3.94Å
1025	L	70	Confident	57.6	Low	73 Å²	73	87 Å²	87	38%	0.382	53%	0.526	S	S	.	.	H	α-helix	trans	-70.6	-48.5	177.1	-171.8	69.4	0	0	0	110.9	D1023 M1027 A1028 V1029 A1038 A1039 A1042	D1023-L1025 PolarHBondContact O-N 3.1Å; D1023-L1025 WeakPolarHBondContact OD1-CB 3.38Å; D1023-L1025 PolarHBondContact OD1-N 3.43Å; L1025-M1027 VanDerWaalsContact C-N 3.32Å; L1025-M1027 PolarHBondContact O-N 2.9Å; L1025-A1028 PolarHBondContact O-N 3.37Å; L1025-V1029 WeakPolarHBondContact O-CG2 3.18Å; L1025-V1029 PolarHBondContact O-N 3.01Å; L1025-A1038 HydrophobicContact CD1-CB 3.91Å; L1025-A1039 HydrophobicContact CD1-CB 4.39Å; L1025-A1042 HydrophobicContact CB-CB 4.14Å; L1025-A1042 HydrophobicContact CD1-CB 4.38Å
1026	A	70.6	Confident	59.5	Low	42 Å²	42	83.1 Å²	83.1	35%	0.347	51%	0.505	S	S	.	.	H	α-helix	trans	-55.5	-44.2	173.9	0	0	0	0	0	112.4	D1023 V1029 A1030	D1023-A1026 HydrophobicContact CB-CB 4.04Å; D1023-A1026 PolarHBondContact O-N 2.9Å; D1023-A1026 VanDerWaalsContact OD2-CB 3.29Å; D1023-A1026 WeakPolarHBondContact OD2-CB 3.36Å; D1023-A1026 PolarHBondContact OD2-N 3.02Å; A1026-V1029 PolarHBondContact O-N 3.37Å; A1026-A1030 WeakPolarHBondContact O-CB 3.19Å; A1026-A1030 PolarHBondContact O-N 2.98Å
1027	M	68.5	Low	61.4	Low	34 Å²	34	83.5 Å²	83.5	17%	0.167	49%	0.494	C	S	.	.	H	α-helix	trans	-64.4	-43.6	175.7	-74.4	-139.5	-169.3	0	0	113	H1018 Y1021 D1023 L1025 V1029 A1030 A1031 W1054	H1018-M1027 HydrophobicContact CB-CE 3.74Å; H1018-M1027 WeakPolarHBondContact CD2-CE 3.49Å; Y1021-M1027 VanDerWaalsContact CB-CE 3.48Å; Y1021-M1027 HydrophobicContact CG-CE 4.4Å; D1023-M1027 PolarHBondContact O-N 2.93Å; L1025-M1027 VanDerWaalsContact C-N 3.32Å; L1025-M1027 PolarHBondContact O-N 2.9Å; M1027-V1029 VanDerWaalsContact C-N 3.31Å; M1027-V1029 PolarHBondContact O-N 2.98Å; M1027-A1030 WeakPolarHBondContact O-CB 3.5Å; M1027-A1030 PolarHBondContact O-N 3.21Å; M1027-A1031 PolarHBondContact O-N 3.13Å; M1027-W1054 HydrophobicContact CB-CH2 4.15Å; M1027-W1054 HydrophobicContact CB-CZ2 3.53Å; M1027-W1054 HydrophobicContact SD-CZ2 4.27Å
1028	A	68.9	Low	63.5	Low	0 Å²	0	76.9 Å²	76.9	0%	0	46%	0.459	C	S	.	.	H	α-helix	trans	-68.8	-31.4	179.3	0	0	0	0	0	112.3	P1024 L1025 A1031 L1033 A1038 L1041	P1024-A1028 WeakPolarHBondContact O-CB 3.35Å; P1024-A1028 PolarHBondContact O-N 2.84Å; L1025-A1028 PolarHBondContact O-N 3.37Å; A1028-A1031 PolarHBondContact O-N 2.84Å; A1028-L1033 HydrophobicContact CB-CD1 3.94Å; A1028-L1033 VanDerWaalsContact O-CB 3.31Å; A1028-L1033 WeakPolarHBondContact O-CB 3.16Å; A1028-L1033 WeakPolarHBondContact O-CD1 3.48Å; A1028-L1033 PolarHBondContact O-N 3.31Å; A1028-A1038 HydrophobicContact CB-CB 3.75Å; A1028-L1041 HydrophobicContact CB-CB 4.25Å
1029	V	70.4	Confident	65.3	Low	85 Å²	85	73.1 Å²	73.1	52%	0.515	45%	0.451	S	S	.	.	H	α-helix	trans	-65.6	-43.5	168.5	170.2	0	0	0	0	111.2	L1025 A1026 M1027 A1031 G1032 A1038	L1025-V1029 WeakPolarHBondContact O-CG2 3.18Å; L1025-V1029 PolarHBondContact O-N 3.01Å; A1026-V1029 PolarHBondContact O-N 3.37Å; M1027-V1029 VanDerWaalsContact C-N 3.31Å; M1027-V1029 PolarHBondContact O-N 2.98Å; V1029-A1031 VanDerWaalsContact C-N 3.27Å; V1029-A1031 PolarHBondContact O-N 2.88Å; V1029-G1032 PolarHBondContact O-N 3.37Å; V1029-A1038 HydrophobicContact CG2-CB 4.06Å
1030	A	72.4	Confident	67.2	Low	90 Å²	90	72.2 Å²	72.2	74%	0.744	44%	0.437	S	S	*	.	H	α-helix	trans	-62.8	-31.9	175.6	0	0	0	0	0	113	A1026 M1027 G1032	A1026-A1030 WeakPolarHBondContact O-CB 3.19Å; A1026-A1030 PolarHBondContact O-N 2.98Å; M1027-A1030 WeakPolarHBondContact O-CB 3.5Å; M1027-A1030 PolarHBondContact O-N 3.21Å; A1030-G1032 PolarHBondContact O-N 3.42Å; A1030-G1032 VanDerWaalsContact O-N 3.14Å
1031	A	66.7	Low	68.5	Low	55 Å²	55	65.8 Å²	65.8	46%	0.455	41%	0.408	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.9	8.6	171.9	0	0	0	0	0	114.4	M1027 A1028 V1029 L1033 W1054	M1027-A1031 PolarHBondContact O-N 3.13Å; A1028-A1031 PolarHBondContact O-N 2.84Å; V1029-A1031 VanDerWaalsContact C-N 3.27Å; V1029-A1031 PolarHBondContact O-N 2.88Å; A1031-L1033 VanDerWaalsContact C-N 3.29Å; A1031-L1033 HydrophobicContact CB-CD1 4.04Å; A1031-L1033 HydrophobicContact CB-CG 4.41Å; A1031-L1033 PolarHBondContact O-N 3.11Å; A1031-W1054 HydrophobicContact CB-CH2 4.08Å; A1031-W1054 HydrophobicContact CB-CZ3 4.21Å
1032	G	73.9	Confident	70	Confident	67 Å²	67	59.7 Å²	59.7	69%	0.691	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.3	14.6	175.2	0	0	0	0	0	114.6	V1029 A1030	V1029-G1032 PolarHBondContact O-N 3.37Å; A1030-G1032 PolarHBondContact O-N 3.42Å; A1030-G1032 VanDerWaalsContact O-N 3.14Å
1033	L	71.1	Confident	71.2	Confident	33 Å²	33	61.5 Å²	61.5	17%	0.173	38%	0.38	C	S	.	.			trans	-79.5	138.1	-176.5	-64.3	155.1	0	0	0	110.8	A1028 A1031 K1037 L1041 L1057	A1028-L1033 HydrophobicContact CB-CD1 3.94Å; A1028-L1033 VanDerWaalsContact O-CB 3.31Å; A1028-L1033 WeakPolarHBondContact O-CB 3.16Å; A1028-L1033 WeakPolarHBondContact O-CD1 3.48Å; A1028-L1033 PolarHBondContact O-N 3.31Å; A1031-L1033 VanDerWaalsContact C-N 3.29Å; A1031-L1033 HydrophobicContact CB-CD1 4.04Å; A1031-L1033 HydrophobicContact CB-CG 4.41Å; A1031-L1033 PolarHBondContact O-N 3.11Å; L1033-K1037 HydrophobicContact CB-CB 4.05Å; L1033-K1037 HydrophobicContact CD2-CB 4.14Å; L1033-K1037 HydrophobicContact CD2-CD 3.91Å; L1033-L1041 HydrophobicContact CD1-CD1 3.35Å; L1033-L1041 HydrophobicContact CD2-CD1 4.41Å; L1033-L1041 HydrophobicContact CG-CD1 4.48Å; L1033-L1057 HydrophobicContact CD1-CD2 4.46Å
1034	P	73.5	Confident	71.6	Confident	64 Å²	64	59.2 Å²	59.2	42%	0.416	37%	0.371	S	S	.	.			trans	-60.5	148.3	173.8	25.9	-34.3	0	0	0	110.3	S1036 K1037 A1038	P1034-S1036 PolarHBondContact O-N 3.02Å; P1034-K1037 HydrophobicContact CG-CB 4.17Å; P1034-K1037 HydrophobicContact CG-CD 4.2Å; P1034-K1037 HydrophobicContact CG-CG 4.09Å; P1034-K1037 WeakPolarHBondContact O-CA 3.47Å; P1034-K1037 PolarHBondContact O-N 2.76Å; P1034-A1038 PolarHBondContact O-N 2.69Å
1035	P	69.5	Low	72.2	Confident	107 Å²	107	57.7 Å²	57.7	70%	0.695	36%	0.362	S	S	*	.	H	α-helix	trans	-53	-29.9	-168.9	-31.7	36.2	0	0	0	115.9	A1038 A1039	P1035-A1038 PolarHBondContact O-N 3.5Å; P1035-A1039 WeakPolarHBondContact O-CB 3.44Å; P1035-A1039 PolarHBondContact O-N 2.82Å
1036	S	71.4	Confident	72.4	Confident	66 Å²	66	62.1 Å²	62.1	46%	0.462	38%	0.38	S	S	.	.	H	α-helix	trans	-68.5	-39.2	174.1	53.5	0	0	0	0	113.5	P1034 I1040	P1034-S1036 PolarHBondContact O-N 3.02Å; S1036-I1040 WeakPolarHBondContact O-CD1 3.28Å; S1036-I1040 VanDerWaalsContact O-CG1 3.23Å; S1036-I1040 WeakPolarHBondContact O-CG1 3.49Å; S1036-I1040 PolarHBondContact O-N 3.05Å
1037	K	71	Confident	72.7	Confident	106 Å²	106	63.5 Å²	63.5	46%	0.461	39%	0.392	S	S	.	.	H	α-helix	trans	-70	-38.4	171.1	-76	-167.2	177.9	-173.1	0	110.8	L1033 P1034 I1040 L1041	L1033-K1037 HydrophobicContact CB-CB 4.05Å; L1033-K1037 HydrophobicContact CD2-CB 4.14Å; L1033-K1037 HydrophobicContact CD2-CD 3.91Å; P1034-K1037 HydrophobicContact CG-CB 4.17Å; P1034-K1037 HydrophobicContact CG-CD 4.2Å; P1034-K1037 HydrophobicContact CG-CG 4.09Å; P1034-K1037 WeakPolarHBondContact O-CA 3.47Å; P1034-K1037 PolarHBondContact O-N 2.76Å; K1037-I1040 PolarHBondContact O-N 3.34Å; K1037-L1041 PolarHBondContact O-N 2.82Å
1038	A	74	Confident	73.3	Confident	0 Å²	0	67.1 Å²	67.1	0%	0	41%	0.411	C	S	.	.	H	α-helix	trans	-61.6	-46.5	177.7	0	0	0	0	0	112.3	L1025 A1028 V1029 P1034 P1035 I1040 L1041 A1042	L1025-A1038 HydrophobicContact CD1-CB 3.91Å; A1028-A1038 HydrophobicContact CB-CB 3.75Å; V1029-A1038 HydrophobicContact CG2-CB 4.06Å; P1034-A1038 PolarHBondContact O-N 2.69Å; P1035-A1038 PolarHBondContact O-N 3.5Å; A1038-I1040 PolarHBondContact O-N 2.88Å; A1038-L1041 PolarHBondContact O-N 3.43Å; A1038-A1042 WeakPolarHBondContact O-CB 3.11Å; A1038-A1042 PolarHBondContact O-N 2.94Å
1039	A	73.7	Confident	73.6	Confident	52 Å²	52	68.4 Å²	68.4	43%	0.43	43%	0.425	S	S	.	.	H	α-helix	trans	-63.9	-37.5	175.3	0	0	0	0	0	113.2	L1025 P1035 A1042 Y1043	L1025-A1039 HydrophobicContact CD1-CB 4.39Å; P1035-A1039 WeakPolarHBondContact O-CB 3.44Å; P1035-A1039 PolarHBondContact O-N 2.82Å; A1039-A1042 PolarHBondContact O-N 3.27Å; A1039-Y1043 WeakPolarHBondContact O-CB 3.28Å; A1039-Y1043 PolarHBondContact O-N 3.31Å
1040	I	75.5	Confident	74	Confident	80 Å²	80	67.2 Å²	67.2	41%	0.41	42%	0.419	S	S	.	.	H	α-helix	trans	-64.8	-43.4	175.4	-72.2	166	0	0	0	111.2	S1036 K1037 A1038 A1044	S1036-I1040 WeakPolarHBondContact O-CD1 3.28Å; S1036-I1040 VanDerWaalsContact O-CG1 3.23Å; S1036-I1040 WeakPolarHBondContact O-CG1 3.49Å; S1036-I1040 PolarHBondContact O-N 3.05Å; K1037-I1040 PolarHBondContact O-N 3.34Å; A1038-I1040 PolarHBondContact O-N 2.88Å; I1040-A1044 WeakPolarHBondContact O-CB 3.47Å; I1040-A1044 PolarHBondContact O-N 2.97Å
1041	L	73.8	Confident	74.1	Confident	33 Å²	33	69.2 Å²	69.2	17%	0.173	42%	0.417	C	S	.	.	H	α-helix	trans	-70.8	-33	178	-80.9	158.5	0	0	0	112.1	A1028 L1033 K1037 A1038 A1044 A1045 V1053 L1057	A1028-L1041 HydrophobicContact CB-CB 4.25Å; L1033-L1041 HydrophobicContact CD1-CD1 3.35Å; L1033-L1041 HydrophobicContact CD2-CD1 4.41Å; L1033-L1041 HydrophobicContact CG-CD1 4.48Å; K1037-L1041 PolarHBondContact O-N 2.82Å; A1038-L1041 PolarHBondContact O-N 3.43Å; L1041-A1044 PolarHBondContact O-N 3.36Å; L1041-A1045 VanDerWaalsContact O-CB 3.31Å; L1041-A1045 WeakPolarHBondContact O-CB 3.2Å; L1041-A1045 PolarHBondContact O-N 2.99Å; L1041-V1053 HydrophobicContact CD2-CG1 3.37Å; L1041-L1057 HydrophobicContact CD1-CD1 4.47Å; L1041-L1057 HydrophobicContact CD1-CD2 4.33Å
1042	A	72	Confident	74.7	Confident	15 Å²	15	70.8 Å²	70.8	12%	0.124	42%	0.421	C	S	.	.	H	α-helix	trans	-64	-47.5	172.6	0	0	0	0	0	112.1	P1024 L1025 A1038 A1039 A1044 A1045 Q1046	P1024-A1042 HydrophobicContact CB-CB 3.9Å; L1025-A1042 HydrophobicContact CB-CB 4.14Å; L1025-A1042 HydrophobicContact CD1-CB 4.38Å; A1038-A1042 WeakPolarHBondContact O-CB 3.11Å; A1038-A1042 PolarHBondContact O-N 2.94Å; A1039-A1042 PolarHBondContact O-N 3.27Å; A1042-A1044 VanDerWaalsContact C-N 3.34Å; A1042-A1044 PolarHBondContact O-N 3.47Å; A1042-A1045 PolarHBondContact O-N 3.03Å; A1042-Q1046 WeakPolarHBondContact O-CB 3.09Å; A1042-Q1046 PolarHBondContact O-N 3.1Å
1043	Y	77.2	Confident	74.7	Confident	179 Å²	179	68.2 Å²	68.2	70%	0.702	39%	0.392	S	S	*	.	H	α-helix	trans	-62	-40.4	174.6	-170.6	-88.4	0	0	0	112.2	A1039 Q1046 A1047	A1039-Y1043 WeakPolarHBondContact O-CB 3.28Å; A1039-Y1043 PolarHBondContact O-N 3.31Å; Y1043-Q1046 PolarHBondContact O-N 3.31Å; Y1043-A1047 WeakPolarHBondContact O-CB 3.44Å; Y1043-A1047 PolarHBondContact O-N 3.09Å; Y1043-A1047 VanDerWaalsContact O-N 3.13Å
1044	A	75.8	Confident	75	Confident	25 Å²	25	70.2 Å²	70.2	21%	0.207	40%	0.397	C	S	.	.	H	α-helix	trans	-64.2	-44.5	175.8	0	0	0	0	0	112.1	I1040 L1041 A1042 Q1046 A1047 L1048 V1053	I1040-A1044 WeakPolarHBondContact O-CB 3.47Å; I1040-A1044 PolarHBondContact O-N 2.97Å; L1041-A1044 PolarHBondContact O-N 3.36Å; A1042-A1044 VanDerWaalsContact C-N 3.34Å; A1042-A1044 PolarHBondContact O-N 3.47Å; A1044-Q1046 PolarHBondContact O-N 3.25Å; A1044-A1047 PolarHBondContact O-N 3.12Å; A1044-A1047 VanDerWaalsContact O-N 3.08Å; A1044-L1048 WeakPolarHBondContact O-CB 3.19Å; A1044-L1048 PolarHBondContact O-N 2.89Å; A1044-V1053 HydrophobicContact CB-CG1 4.41Å; A1044-V1053 HydrophobicContact CB-CG2 3.91Å
1045	A	76.2	Confident	75.1	Confident	5 Å²	5	70 Å²	70	4%	0.041	40%	0.401	C	S	.	.	H	α-helix	trans	-63.6	-32.1	178	0	0	0	0	0	112	P1024 L1041 A1042 A1047 G1049 P1050 V1053	P1024-A1045 HydrophobicContact CB-CB 3.84Å; P1024-A1045 HydrophobicContact CG-CB 3.94Å; L1041-A1045 VanDerWaalsContact O-CB 3.31Å; L1041-A1045 WeakPolarHBondContact O-CB 3.2Å; L1041-A1045 PolarHBondContact O-N 2.99Å; A1042-A1045 PolarHBondContact O-N 3.03Å; A1045-A1047 VanDerWaalsContact C-N 3.34Å; A1045-G1049 CarbonylContact O-C 3.55Å; A1045-G1049 WeakPolarHBondContact O-CA 3.49Å; A1045-G1049 PolarHBondContact O-N 2.57Å; A1045-G1049 VanDerWaalsContact O-N 3.1Å; A1045-P1050 HydrophobicContact CB-CB 4.33Å; A1045-V1053 HydrophobicContact CB-CB 4.45Å
1046	Q	75.6	Confident	75.4	Confident	166 Å²	166	67 Å²	67	78%	0.776	39%	0.389	S	S	*	.	H	α-helix	trans	-75.3	-21	175.3	-160.8	165.6	22.8	0	0	113.3	A1042 Y1043 A1044	A1042-Q1046 WeakPolarHBondContact O-CB 3.09Å; A1042-Q1046 PolarHBondContact O-N 3.1Å; Y1043-Q1046 PolarHBondContact O-N 3.31Å; A1044-Q1046 PolarHBondContact O-N 3.25Å
1047	A	75	Confident	75.5	Confident	71 Å²	71	66.4 Å²	66.4	59%	0.587	38%	0.38	S	S	*	.	H	α-helix	trans	-102.1	-27.5	-179.5	0	0	0	0	0	114.7	Y1043 A1044 A1045	Y1043-A1047 WeakPolarHBondContact O-CB 3.44Å; Y1043-A1047 PolarHBondContact O-N 3.09Å; Y1043-A1047 VanDerWaalsContact O-N 3.13Å; A1044-A1047 PolarHBondContact O-N 3.12Å; A1044-A1047 VanDerWaalsContact O-N 3.08Å; A1045-A1047 VanDerWaalsContact C-N 3.34Å
1048	L	81.2	Confident	75.6	Confident	110 Å²	110	64.2 Å²	64.2	58%	0.576	38%	0.382	S	S	*	.	H	α-helix	trans	-117.5	-3	-174.9	-59.6	176.1	0	0	0	113.4	A1044 T1052 V1053	A1044-L1048 WeakPolarHBondContact O-CB 3.19Å; A1044-L1048 PolarHBondContact O-N 2.89Å; L1048-T1052 HydrophobicContact CB-CG2 4.31Å; L1048-T1052 VanDerWaalsContact O-CB 3.25Å; L1048-T1052 WeakPolarHBondContact O-CB 3.17Å; L1048-T1052 PolarHBondContact O-OG1 3.35Å; L1048-V1053 HydrophobicContact CB-CG2 4.08Å; L1048-V1053 HydrophobicContact CD1-CG2 4.26Å
1049	G	76.6	Confident	75.6	Confident	28 Å²	28	66.6 Å²	66.6	29%	0.289	40%	0.401	S	S	.	.			trans	82.9	146.4	-165.8	0	0	0	0	0	112.1	A1045 D1051 V1053	A1045-G1049 CarbonylContact O-C 3.55Å; A1045-G1049 WeakPolarHBondContact O-CA 3.49Å; A1045-G1049 PolarHBondContact O-N 2.57Å; A1045-G1049 VanDerWaalsContact O-N 3.1Å; G1049-D1051 PolarHBondContact O-N 3.44Å; G1049-V1053 PolarHBondContact O-N 3.15Å
1050	P	78.4	Confident	75.5	Confident	60 Å²	60	66.6 Å²	66.6	39%	0.39	40%	0.401	S	S	.	.	H	α-helix	trans	-63.8	-41.3	-179.4	25.8	-33.5	0	0	0	111.7	A1045 T1052 V1053 W1054	A1045-P1050 HydrophobicContact CB-CB 4.33Å; P1050-T1052 PolarHBondContact O-N 3.11Å; P1050-V1053 PolarHBondContact O-N 2.86Å; P1050-V1053 VanDerWaalsContact O-N 3.09Å; P1050-W1054 PolarHBondContact O-N 3.06Å
1051	D	75.2	Confident	75.3	Confident	131 Å²	131	69.1 Å²	69.1	70%	0.701	41%	0.409	S	S	*	.	H	α-helix	trans	-62.5	-44	-174.8	-53	-43	0	0	0	111.9	G1049 V1053 W1054 A1055	G1049-D1051 PolarHBondContact O-N 3.44Å; D1051-V1053 VanDerWaalsContact C-N 3.26Å; D1051-V1053 PolarHBondContact O-N 3.44Å; D1051-W1054 PolarHBondContact O-N 3.02Å; D1051-A1055 WeakPolarHBondContact O-CB 3.43Å; D1051-A1055 PolarHBondContact O-N 2.84Å
1052	T	77.4	Confident	75.3	Confident	88 Å²	88	73.9 Å²	73.9	54%	0.54	43%	0.429	S	S	.	.	H	α-helix	trans	-55.4	-42	173.7	-45.2	0	0	0	0	111.8	L1048 P1050 G1056	L1048-T1052 HydrophobicContact CB-CG2 4.31Å; L1048-T1052 VanDerWaalsContact O-CB 3.25Å; L1048-T1052 WeakPolarHBondContact O-CB 3.17Å; L1048-T1052 PolarHBondContact O-OG1 3.35Å; P1050-T1052 PolarHBondContact O-N 3.11Å; T1052-G1056 PolarHBondContact O-N 2.82Å
1053	V	75.3	Confident	75.3	Confident	13 Å²	13	81.1 Å²	81.1	8%	0.079	45%	0.453	C	S	.	.	H	α-helix	trans	-77.5	-38.9	-176.6	171.8	0	0	0	0	111.9	L1041 A1044 A1045 L1048 G1049 P1050 D1051 G1056 L1057	L1041-V1053 HydrophobicContact CD2-CG1 3.37Å; A1044-V1053 HydrophobicContact CB-CG1 4.41Å; A1044-V1053 HydrophobicContact CB-CG2 3.91Å; A1045-V1053 HydrophobicContact CB-CB 4.45Å; L1048-V1053 HydrophobicContact CB-CG2 4.08Å; L1048-V1053 HydrophobicContact CD1-CG2 4.26Å; G1049-V1053 PolarHBondContact O-N 3.15Å; P1050-V1053 PolarHBondContact O-N 2.86Å; P1050-V1053 VanDerWaalsContact O-N 3.09Å; D1051-V1053 VanDerWaalsContact C-N 3.26Å; D1051-V1053 PolarHBondContact O-N 3.44Å; V1053-G1056 PolarHBondContact O-N 3.11Å; V1053-L1057 WeakPolarHBondContact O-CB 3.35Å; V1053-L1057 PolarHBondContact O-N 3.31Å
1054	W	77.2	Confident	75.1	Confident	76 Å²	76	77.7 Å²	77.7	29%	0.288	44%	0.443	S	S	.	.	H	α-helix	trans	-71.5	-35.4	174.2	-72.1	112	0	0	0	112.4	M1027 A1031 P1050 D1051 L1057 A1058	M1027-W1054 HydrophobicContact CB-CH2 4.15Å; M1027-W1054 HydrophobicContact CB-CZ2 3.53Å; M1027-W1054 HydrophobicContact SD-CZ2 4.27Å; A1031-W1054 HydrophobicContact CB-CH2 4.08Å; A1031-W1054 HydrophobicContact CB-CZ3 4.21Å; P1050-W1054 PolarHBondContact O-N 3.06Å; D1051-W1054 PolarHBondContact O-N 3.02Å; W1054-L1057 HydrophobicContact CE3-CD2 3.78Å; W1054-L1057 HydrophobicContact CH2-CD2 4.21Å; W1054-L1057 HydrophobicContact CZ3-CD2 3.42Å; W1054-L1057 VanDerWaalsContact CZ3-CD2 3.42Å; W1054-L1057 PolarHBondContact O-N 2.92Å; W1054-A1058 WeakPolarHBondContact O-CB 3.47Å; W1054-A1058 PolarHBondContact O-N 2.67Å
1055	A	75.4	Confident	74.9	Confident	60 Å²	60	81 Å²	81	50%	0.496	46%	0.455	S	S	.	.	H	α-helix	trans	-62	-46.9	170.5	0	0	0	0	0	111.3	D1051 L1057 A1058 A1059	D1051-A1055 WeakPolarHBondContact O-CB 3.43Å; D1051-A1055 PolarHBondContact O-N 2.84Å; A1055-L1057 PolarHBondContact O-N 3Å; A1055-A1058 PolarHBondContact O-N 3.34Å; A1055-A1059 WeakPolarHBondContact O-CB 3.35Å; A1055-A1059 PolarHBondContact O-N 3.3Å
1056	G	75	Confident	74.8	Confident	42 Å²	42	85.1 Å²	85.1	43%	0.433	47%	0.473	S	S	.	.	H	α-helix	trans	-60.7	-41.7	174.5	0	0	0	0	0	113.2	T1052 V1053 A1060	T1052-G1056 PolarHBondContact O-N 2.82Å; V1053-G1056 PolarHBondContact O-N 3.11Å; G1056-A1060 WeakPolarHBondContact O-CB 3.45Å; G1056-A1060 PolarHBondContact O-N 3.19Å
1057	L	74.1	Confident	74.6	Confident	54 Å²	54	82.4 Å²	82.4	28%	0.283	46%	0.46	S	S	.	.	H	α-helix	trans	-70.5	-36.8	177.4	-168.7	67.1	0	0	0	112.4	L1033 L1041 V1053 W1054 A1055 A1060 K1061	L1033-L1057 HydrophobicContact CD1-CD2 4.46Å; L1041-L1057 HydrophobicContact CD1-CD1 4.47Å; L1041-L1057 HydrophobicContact CD1-CD2 4.33Å; V1053-L1057 WeakPolarHBondContact O-CB 3.35Å; V1053-L1057 PolarHBondContact O-N 3.31Å; W1054-L1057 HydrophobicContact CE3-CD2 3.78Å; W1054-L1057 HydrophobicContact CH2-CD2 4.21Å; W1054-L1057 HydrophobicContact CZ3-CD2 3.42Å; W1054-L1057 VanDerWaalsContact CZ3-CD2 3.42Å; W1054-L1057 PolarHBondContact O-N 2.92Å; A1055-L1057 PolarHBondContact O-N 3Å; L1057-A1060 PolarHBondContact O-N 3.17Å; L1057-K1061 WeakPolarHBondContact O-CB 3.29Å; L1057-K1061 PolarHBondContact O-N 3.1Å
1058	A	72.2	Confident	74.5	Confident	61 Å²	61	83.6 Å²	83.6	50%	0.504	45%	0.454	S	S	.	.	H	α-helix	trans	-66.4	-42.8	174.5	0	0	0	0	0	111.3	W1054 A1055 K1061 K1062	W1054-A1058 WeakPolarHBondContact O-CB 3.47Å; W1054-A1058 PolarHBondContact O-N 2.67Å; A1055-A1058 PolarHBondContact O-N 3.34Å; A1058-K1061 PolarHBondContact O-N 3Å; A1058-K1062 WeakPolarHBondContact O-CB 3.27Å; A1058-K1062 PolarHBondContact O-N 3.42Å
1059	A	74	Confident	73.8	Confident	49 Å²	49	84.7 Å²	84.7	41%	0.405	46%	0.456	S	S	.	.	H	α-helix	trans	-61.4	-44.9	173.1	0	0	0	0	0	111.7	A1055 K1061 K1062 R1063	A1055-A1059 WeakPolarHBondContact O-CB 3.35Å; A1055-A1059 PolarHBondContact O-N 3.3Å; A1059-K1061 PolarHBondContact O-N 3.24Å; A1059-K1062 PolarHBondContact O-N 2.83Å; A1059-R1063 WeakPolarHBondContact O-CG 3.36Å; A1059-R1063 PolarHBondContact O-N 3.03Å
1060	A	71.5	Confident	72.9	Confident	52 Å²	52	90.7 Å²	90.7	43%	0.43	48%	0.476	S	S	.	.	H	α-helix	trans	-62	-40.9	175.2	0	0	0	0	0	112.4	G1056 L1057 R1063 Q1064	G1056-A1060 WeakPolarHBondContact O-CB 3.45Å; G1056-A1060 PolarHBondContact O-N 3.19Å; L1057-A1060 PolarHBondContact O-N 3.17Å; A1060-R1063 PolarHBondContact O-N 3.05Å; A1060-Q1064 WeakPolarHBondContact O-CB 3.1Å; A1060-Q1064 PolarHBondContact O-N 3.41Å
1061	K	72.5	Confident	71.8	Confident	133 Å²	133	94.9 Å²	94.9	58%	0.578	49%	0.491	S	S	*	.	H	α-helix	trans	-68.5	-35.8	176.1	-168.3	177.3	-179.7	-176.1	0	112.1	L1057 A1058 A1059 Q1064 Q1065	L1057-K1061 WeakPolarHBondContact O-CB 3.29Å; L1057-K1061 PolarHBondContact O-N 3.1Å; A1058-K1061 PolarHBondContact O-N 3Å; A1059-K1061 PolarHBondContact O-N 3.24Å; K1061-Q1064 PolarHBondContact O-N 3.01Å; K1061-Q1065 WeakPolarHBondContact O-CG 3.25Å; K1061-Q1065 PolarHBondContact O-N 2.91Å
1062	K	74	Confident	69.9	Low	133 Å²	133	95.2 Å²	95.2	58%	0.578	49%	0.488	S	S	*	.	H	α-helix	trans	-64.3	-46.8	173.2	-170	179.8	176.9	-177.3	0	110.9	A1058 A1059 Q1064 Q1065 Q1066	A1058-K1062 WeakPolarHBondContact O-CB 3.27Å; A1058-K1062 PolarHBondContact O-N 3.42Å; A1059-K1062 PolarHBondContact O-N 2.83Å; K1062-Q1064 VanDerWaalsContact C-N 3.33Å; K1062-Q1064 PolarHBondContact O-N 2.83Å; K1062-Q1065 PolarHBondContact O-N 3.07Å; K1062-Q1065 VanDerWaalsContact O-N 3.15Å; K1062-Q1066 WeakPolarHBondContact O-CG 3.46Å; K1062-Q1066 PolarHBondContact O-N 2.9Å; K1062-Q1066 PolarHBondContact O-OE1 2.93Å
1063	R	71.6	Confident	68	Low	167 Å²	167	96.8 Å²	96.8	63%	0.63	50%	0.5	S	S	*	.	H	α-helix	trans	-57.1	-44.6	172.4	-68.5	-177.4	-166.5	-153.7	2.1	111.6	A1059 A1060 Q1065 Q1066 Q1067	A1059-R1063 WeakPolarHBondContact O-CG 3.36Å; A1059-R1063 PolarHBondContact O-N 3.03Å; A1060-R1063 PolarHBondContact O-N 3.05Å; R1063-Q1065 VanDerWaalsContact C-N 3.34Å; R1063-Q1065 PolarHBondContact O-N 3.34Å; R1063-Q1066 PolarHBondContact O-N 3.06Å; R1063-Q1067 WeakPolarHBondContact O-CG 3.34Å; R1063-Q1067 PolarHBondContact O-N 3.41Å
1064	Q	72.9	Confident	65.9	Low	108 Å²	108	105 Å²	105	51%	0.505	54%	0.54	S	S	.	.	H	α-helix	trans	-64.5	-35.6	177	-168.8	177	21.5	0	0	112.8	A1060 K1061 K1062 Q1068	A1060-Q1064 WeakPolarHBondContact O-CB 3.1Å; A1060-Q1064 PolarHBondContact O-N 3.41Å; K1061-Q1064 PolarHBondContact O-N 3.01Å; K1062-Q1064 VanDerWaalsContact C-N 3.33Å; K1062-Q1064 PolarHBondContact O-N 2.83Å; Q1064-Q1068 WeakPolarHBondContact O-CB 3.42Å; Q1064-Q1068 VanDerWaalsContact O-CG 3.28Å; Q1064-Q1068 WeakPolarHBondContact O-CG 3.33Å; Q1064-Q1068 PolarHBondContact O-N 3.45Å
1065	Q	72	Confident	63.8	Low	95 Å²	95	106.5 Å²	106.5	44%	0.444	56%	0.562	S	S	.	*	H	α-helix	trans	-72.1	-33.6	173.9	-76.5	-178.7	-45	0	0	112.8	K1061 K1062 R1063 Q1068 Q1069	K1061-Q1065 WeakPolarHBondContact O-CG 3.25Å; K1061-Q1065 PolarHBondContact O-N 2.91Å; K1062-Q1065 PolarHBondContact O-N 3.07Å; K1062-Q1065 VanDerWaalsContact O-N 3.15Å; R1063-Q1065 VanDerWaalsContact C-N 3.34Å; R1063-Q1065 PolarHBondContact O-N 3.34Å; Q1065-Q1068 PolarHBondContact O-N 3.08Å; Q1065-Q1069 WeakPolarHBondContact O-CB 3.3Å; Q1065-Q1069 VanDerWaalsContact O-CG 3.25Å; Q1065-Q1069 WeakPolarHBondContact O-CG 3.38Å; Q1065-Q1069 PolarHBondContact O-N 3.41Å
1066	Q	74.3	Confident	61.9	Low	90 Å²	90	110.8 Å²	110.8	42%	0.421	58%	0.576	S	S	.	*	H	α-helix	trans	-67.1	-45	173.4	-71.2	169.2	-68	0	0	110.6	K1062 R1063 Q1068 Q1069 Q1070	K1062-Q1066 WeakPolarHBondContact O-CG 3.46Å; K1062-Q1066 PolarHBondContact O-N 2.9Å; K1062-Q1066 PolarHBondContact O-OE1 2.93Å; R1063-Q1066 PolarHBondContact O-N 3.06Å; Q1066-Q1068 PolarHBondContact O-N 3.07Å; Q1066-Q1069 PolarHBondContact O-N 3.2Å; Q1066-Q1070 PolarHBondContact O-N 2.84Å
1067	Q	72	Confident	59.9	Low	109 Å²	109	114.7 Å²	114.7	51%	0.509	59%	0.592	S	S	.	*	H	α-helix	trans	-56.1	-49	170.6	-72.6	168.8	-22	0	0	111.2	R1063 Q1069 Q1070 E1071	R1063-Q1067 WeakPolarHBondContact O-CG 3.34Å; R1063-Q1067 PolarHBondContact O-N 3.41Å; Q1067-Q1069 PolarHBondContact O-N 3.24Å; Q1067-Q1069 VanDerWaalsContact O-N 3.15Å; Q1067-Q1070 PolarHBondContact O-N 3Å; Q1067-Q1070 VanDerWaalsContact O-N 3.16Å; Q1067-E1071 WeakPolarHBondContact O-CB 3.27Å; Q1067-E1071 VanDerWaalsContact O-CG 3.29Å; Q1067-E1071 WeakPolarHBondContact O-CG 3.47Å; Q1067-E1071 PolarHBondContact O-N 3.28Å
1068	Q	71	Confident	57.9	Low	97 Å²	97	121.1 Å²	121.1	45%	0.453	62%	0.62	S	S	.	*	H	α-helix	trans	-67.6	-10.9	176.7	-73.3	174.7	0.1	0	0	115.2	Q1064 Q1065 Q1066 Q1072	Q1064-Q1068 WeakPolarHBondContact O-CB 3.42Å; Q1064-Q1068 VanDerWaalsContact O-CG 3.28Å; Q1064-Q1068 WeakPolarHBondContact O-CG 3.33Å; Q1064-Q1068 PolarHBondContact O-N 3.45Å; Q1065-Q1068 PolarHBondContact O-N 3.08Å; Q1066-Q1068 PolarHBondContact O-N 3.07Å; Q1068-Q1072 PolarHBondContact O-NE2 2.71Å
1069	Q	66.9	Low	56.1	Low	133 Å²	133	126.6 Å²	126.6	62%	0.621	64%	0.636	S	S	*	*	H	α-helix	trans	-94.4	-34.2	171.8	-74.8	169.3	29.5	0	0	111.4	Q1065 Q1066 Q1067	Q1065-Q1069 WeakPolarHBondContact O-CB 3.3Å; Q1065-Q1069 VanDerWaalsContact O-CG 3.25Å; Q1065-Q1069 WeakPolarHBondContact O-CG 3.38Å; Q1065-Q1069 PolarHBondContact O-N 3.41Å; Q1066-Q1069 PolarHBondContact O-N 3.2Å; Q1067-Q1069 PolarHBondContact O-N 3.24Å; Q1067-Q1069 VanDerWaalsContact O-N 3.15Å
1070	Q	58.6	Low	54	Low	153 Å²	153	130.2 Å²	130.2	72%	0.715	65%	0.653	S	S	*	*	H	α-helix	trans	-72.6	-30.5	171.4	-69.7	171	-50.8	0	0	112.2	Q1066 Q1067 Q1072	Q1066-Q1070 PolarHBondContact O-N 2.84Å; Q1067-Q1070 PolarHBondContact O-N 3Å; Q1067-Q1070 VanDerWaalsContact O-N 3.16Å; Q1070-Q1072 VanDerWaalsContact C-N 3.25Å; Q1070-Q1072 PolarHBondContact O-N 3.06Å
1071	E	54	Low	52.2	Low	148 Å²	148	133.3 Å²	133.3	69%	0.692	67%	0.666	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.8	4.6	175	-70.8	177.9	156.3	0	0	114	Q1067 P1073	Q1067-E1071 WeakPolarHBondContact O-CB 3.27Å; Q1067-E1071 VanDerWaalsContact O-CG 3.29Å; Q1067-E1071 WeakPolarHBondContact O-CG 3.47Å; Q1067-E1071 PolarHBondContact O-N 3.28Å; E1071-P1073 VanDerWaalsContact O-CD 3.3Å; E1071-P1073 WeakPolarHBondContact O-CD 3.37Å
1072	Q	35.5	Very low	50.3	Low	138 Å²	138	131.3 Å²	131.3	65%	0.645	67%	0.669	S	S	*	*			trans	-102.8	102.6	177.5	-89.3	179.6	85.4	0	0	112.2	Q1068 Q1070 M1074	Q1068-Q1072 PolarHBondContact O-NE2 2.71Å; Q1070-Q1072 VanDerWaalsContact C-N 3.25Å; Q1070-Q1072 PolarHBondContact O-N 3.06Å; Q1072-M1074 PolarHBondContact O-N 2.83Å
1073	P	37.8	Very low	48.3	Very low	121 Å²	121	132.4 Å²	132.4	79%	0.786	68%	0.682	S	S	*	*			trans	-70.5	116.3	173.7	28.4	-33.4	0	0	0	110.8	E1071 S1075	E1071-P1073 VanDerWaalsContact O-CD 3.3Å; E1071-P1073 WeakPolarHBondContact O-CD 3.37Å; P1073-S1075 PolarHBondContact O-N 3.27Å
1074	M	32.4	Very low	46.6	Very low	186 Å²	186	129.7 Å²	129.7	92%	0.916	69%	0.688	S	S	*	*			trans	-76.1	104.8	172.5	-85.8	-80.1	-72.4	0	0	111	Q1072	Q1072-M1074 PolarHBondContact O-N 2.83Å
1075	S	31.5	Very low	44.8	Very low	108 Å²	108	131.1 Å²	131.1	76%	0.755	70%	0.699	S	S	*	*			trans	-135.6	114.9	158.5	59.3	0	0	0	0	110.4	P1073	P1073-S1075 PolarHBondContact O-N 3.27Å
1076	N	35.4	Very low	43	Very low	150 Å²	150	132 Å²	132	80%	0.802	71%	0.711	S	S	*	*			trans	-154.8	128.8	172.5	-117.8	-26.8	0	0	0	111.3
1077	T	34.2	Very low	41.1	Very low	123 Å²	123	133.6 Å²	133.6	76%	0.755	72%	0.722	S	S	*	*			trans	67.6	93.8	152.4	-38.2	0	0	0	0	118.1
1078	E	32.6	Very low	39.4	Very low	189 Å²	189	134.5 Å²	134.5	88%	0.883	73%	0.73	S	S	*	*			trans	-62.4	146.4	141.3	-53.8	175.8	120.2	0	0	109.8
1079	E	33.2	Very low	37.9	Very low	176 Å²	176	136.1 Å²	136.1	82%	0.822	74%	0.742	S	S	*	*			trans	-170.1	123.4	132.4	-118.2	-178	-172.4	0	0	113.6
1080	T	30.9	Very low	36.5	Very low	126 Å²	126	137.1 Å²	137.1	77%	0.773	75%	0.746	S	S	*	*			trans	63.9	136.3	160.9	8.7	0	0	0	0	117.4
1081	T	33.1	Very low	35.4	Very low	116 Å²	116	135.1 Å²	135.1	71%	0.712	74%	0.744	S	S	*	*			cis	-153.1	125.2	40.4	49.1	0	0	0	0	116.2
1082	S	32.6	Very low	34.4	Very low	91 Å²	91	134.2 Å²	134.2	64%	0.636	74%	0.743	S	S	*	*			trans	48.1	134.8	134.6	69.9	0	0	0	0	124.5
1083	N	32.9	Very low	34.3	Very low	157 Å²	157	134.1 Å²	134.1	84%	0.84	75%	0.746	S	S	*	*			trans	70.3	134.2	155.4	-46.5	-31.2	0	0	0	115.4
1084	S	34.9	Very low	33.9	Very low	109 Å²	109	133.6 Å²	133.6	76%	0.762	74%	0.741	S	S	*	*			cis	-170.8	178.7	26.7	77.4	0	0	0	0	109
1085	L	34.3	Very low	33.8	Very low	139 Å²	139	130.6 Å²	130.6	73%	0.728	73%	0.733	S	S	*	*			cis	-166.7	130.2	-12.4	-125.6	171.9	0	0	0	109.6
1086	T	34.2	Very low	33.9	Very low	114 Å²	114	129.7 Å²	129.7	70%	0.699	73%	0.727	S	S	*	*			trans	61.2	162.1	158.9	44.3	0	0	0	0	119.3
1087	N	36	Very low	33.7	Very low	123 Å²	123	129.4 Å²	129.4	66%	0.658	73%	0.73	S	S	*	*			cis	-153.2	157.5	1.5	-121.9	-17.4	0	0	0	111.1
1088	N	35.3	Very low	33.7	Very low	128 Å²	128	126.9 Å²	126.9	68%	0.684	73%	0.729	S	S	*	*			trans	31.4	139.1	145.2	-52.2	-18.4	0	0	0	121
1089	D	38.5	Very low	33.8	Very low	130 Å²	130	128.1 Å²	128.1	70%	0.695	73%	0.732	S	S	*	*			cis	-161.3	161.2	49.6	-121	-28.2	0	0	0	116.2
1090	H	38.6	Very low	33.8	Very low	155 Å²	155	122.8 Å²	122.8	72%	0.718	72%	0.718	S	S	*	*			trans	13.1	145.5	154	-69.9	-49.1	0	0	0	122.5
1091	V	34.8	Very low	34.1	Very low	110 Å²	110	124.3 Å²	124.3	67%	0.667	72%	0.721	S	S	*	*			cis	-164.7	133.9	26.4	110.3	0	0	0	0	109.2
1092	I	34.2	Very low	34.2	Very low	129 Å²	129	125.8 Å²	125.8	66%	0.662	73%	0.725	S	S	*	*				67.2	129.7	92.6	-88.7	165	0	0	0	114.2
1093	L	33.3	Very low	34.4	Very low	137 Å²	137	127.4 Å²	127.4	72%	0.717	73%	0.731	S	S	*	*			cis	-148.8	153.1	4.3	-83.7	154.5	0	0	0	108.9
1094	T	29.5	Very low	34.5	Very low	109 Å²	109	122.6 Å²	122.6	67%	0.669	72%	0.718	S	S	*	*				45.5	156.1	82.9	93.3	0	0	0	0	116.5
1095	T	30.6	Very low	34.5	Very low	124 Å²	124	124.3 Å²	124.3	76%	0.761	72%	0.724	S	S	*	*			cis	-172.7	164.2	16.5	5.5	0	0	0	0	107.6
1096	S	32.4	Very low	34.8	Very low	89 Å²	89	123.3 Å²	123.3	62%	0.622	73%	0.726	S	S	*	*			cis	-179.9	163.8	-18.4	53.5	0	0	0	0	112.6
1097	T	31.5	Very low	34.8	Very low	143 Å²	143	123.4 Å²	123.4	88%	0.877	73%	0.73	S	S	*	*			trans	65.4	138	151.3	50.8	0	0	0	0	124.3
1098	G	33.7	Very low	34.8	Very low	71 Å²	71	123.9 Å²	123.9	73%	0.732	73%	0.733	S	S	*	*			trans	138.1	107.7	158.7	0	0	0	0	0	112.9
1099	K	34.3	Very low	34.6	Very low	215 Å²	215	123.2 Å²	123.2	94%	0.935	73%	0.733	S	S	*	*				59.7	134.3	72.5	-77	-162.5	172.3	-171.3	0	114.9
1100	A	33.1	Very low	34.5	Very low	64 Å²	64	124.4 Å²	124.4	53%	0.529	74%	0.739	S	S	.	*			cis	-167.5	-177.5	-11	0	0	0	0	0	110.2
1101	D	37.2	Very low	34.3	Very low	158 Å²	158	121.5 Å²	121.5	85%	0.845	74%	0.737	S	S	*	*			trans	70.9	148.7	160.3	-39.9	-39.1	0	0	0	116.5
1102	D	35.8	Very low	34.3	Very low	146 Å²	146	122.7 Å²	122.7	78%	0.781	74%	0.738	S	S	*	*			cis	-155.8	168.1	-1.4	-157.5	-0.9	0	0	0	112.2
1103	V	37.6	Very low	34.3	Very low	126 Å²	126	123.8 Å²	123.8	76%	0.764	74%	0.741	S	S	*	*			trans	47.2	131.9	164.2	-156.5	0	0	0	0	120.5
1104	G	34.5	Very low	34.3	Very low	56 Å²	56	124.9 Å²	124.9	58%	0.577	74%	0.742	S	S	*	*			cis	159.3	134.1	-9.3	0	0	0	0	0	116.5
1105	T	35.1	Very low	34.5	Very low	145 Å²	145	128 Å²	128	89%	0.89	75%	0.749	S	S	*	*			trans	71.6	154.5	149.4	45.2	0	0	0	0	123
1106	P	40.4	Very low	34.4	Very low	118 Å²	118	129.4 Å²	129.4	77%	0.766	75%	0.752	S	S	*	*			trans	-139.2	-169.7	-151.9	44.4	-24.3	0	0	0	116.4
1107	C	34.3	Very low	34.4	Very low	115 Å²	115	132.9 Å²	132.9	78%	0.777	76%	0.756	S	S	*	*			trans	-166.7	159.1	152.7	-87.5	0	0	0	0	107.5
1108	N	35.2	Very low	34.4	Very low	134 Å²	134	132.1 Å²	132.1	72%	0.717	74%	0.743	S	S	*	*			cis	-157.3	150.2	-26.2	-93.6	5.9	0	0	0	104.4
1109	T	31	Very low	34.2	Very low	114 Å²	114	135.5 Å²	135.5	70%	0.699	74%	0.742	S	S	*	*			cis	77.6	90.2	32.7	71.5	0	0	0	0	117
1110	D	37	Very low	34.1	Very low	154 Å²	154	131.3 Å²	131.3	82%	0.824	73%	0.73	S	S	*	*			trans	-166	116.4	138.8	-105	-39.9	0	0	0	107.7
1111	S	35.3	Very low	33.9	Very low	94 Å²	94	134.6 Å²	134.6	66%	0.657	74%	0.739	S	S	*	*				89.8	131.2	84.4	-72.9	0	0	0	0	112.7
1112	L	35.1	Very low	33.4	Very low	135 Å²	135	135.1 Å²	135.1	71%	0.707	74%	0.736	S	S	*	*			cis	-158.3	150.5	3.5	-103.3	161	0	0	0	111.4
1113	Q	32.5	Very low	33.1	Very low	153 Å²	153	133.4 Å²	133.4	72%	0.715	74%	0.735	S	S	*	*			trans	16.2	121.1	142.1	-66.9	172.9	12.5	0	0	118.5
1114	Q	34.5	Very low	32.6	Very low	159 Å²	159	136 Å²	136	74%	0.743	74%	0.739	S	S	*	*				-179.6	165.2	68.9	-95	141.6	44.1	0	0	107.1
1115	Q	32.8	Very low	32.3	Very low	175 Å²	175	140.9 Å²	140.9	82%	0.818	75%	0.752	S	S	*	*			cis	-153.3	167.9	12.2	-137.7	167	0.7	0	0	109.9
1116	N	29.4	Very low	31.9	Very low	154 Å²	154	139.3 Å²	139.3	82%	0.824	75%	0.747	S	S	*	*			trans	-78.8	143.6	-169.5	-47	-20.5	0	0	0	115
1117	K	32.7	Very low	31.4	Very low	162 Å²	162	137.4 Å²	137.4	70%	0.704	75%	0.749	S	S	*	*				-176.5	149.7	105.9	-105.5	-178.5	159.1	-75.5	0	112.8
1118	E	30.9	Very low	31.1	Very low	127 Å²	127	139.3 Å²	139.3	59%	0.593	75%	0.751	S	S	*	*			trans	27.2	131.4	163	-72.5	99.4	-138.4	0	0	121.3
1119	I	29.9	Very low	31	Very low	141 Å²	141	139.7 Å²	139.7	72%	0.723	75%	0.753	S	S	*	*			cis	72.7	128.2	36.3	-53.2	169.5	0	0	0	110.6
1120	D	31.1	Very low	31.2	Very low	127 Å²	127	140 Å²	140	68%	0.679	75%	0.754	S	S	*	*			cis	-121.6	171.8	10.7	-101.2	-49.1	0	0	0	110.6
1121	N	29.6	Very low	30.8	Very low	133 Å²	133	141 Å²	141	71%	0.711	75%	0.753	S	S	*	*				47.7	146.4	65	-52.7	-42.9	0	0	0	113.7
1122	E	26.7	Very low	30.4	Very low	170 Å²	170	144.4 Å²	144.4	79%	0.794	76%	0.764	S	S	*	*			cis	-161.4	-176.5	-27.2	-130	-176.2	169.7	0	0	106.6
1123	S	28.9	Very low	30.3	Very low	109 Å²	109	143 Å²	143	76%	0.762	76%	0.761	S	S	*	*			trans	66.5	136.4	159	66.6	0	0	0	0	121
1124	H	28.5	Very low	30	Very low	181 Å²	181	140.9 Å²	140.9	84%	0.838	76%	0.763	S	S	*	*			trans	-46.5	147.2	165.6	-46.8	-96	0	0	0	114.6
1125	N	26.8	Very low	29.8	Very low	158 Å²	158	139.2 Å²	139.2	85%	0.845	76%	0.76	S	S	*	*				-161.6	173.3	88.4	-136.2	-5.5	0	0	0	114.4
1126	S	27.7	Very low	29.7	Very low	112 Å²	112	139.6 Å²	139.6	78%	0.783	76%	0.755	S	S	*	*			trans	-75.1	144.3	-179.9	53.3	0	0	0	0	114.6
1127	G	28.9	Very low	29.7	Very low	79 Å²	79	137.6 Å²	137.6	81%	0.814	74%	0.739	S	S	*	*			trans	-154.9	138.3	165.1	0	0	0	0	0	110.6
1128	L	29.3	Very low	29.5	Very low	155 Å²	155	134.8 Å²	134.8	81%	0.812	74%	0.74	S	S	*	*			trans	-80	158.4	-175.2	-63.2	162.1	0	0	0	111.7
1129	D	32.3	Very low	29.4	Very low	142 Å²	142	133.7 Å²	133.7	76%	0.759	74%	0.742	S	S	*	*				-174.2	116.2	114.3	-91.5	-14.1	0	0	0	114.8
1130	V	34.5	Very low	29.4	Very low	120 Å²	120	132.9 Å²	132.9	73%	0.727	75%	0.749	S	S	*	*			trans	36.9	109	139.4	-154.6	0	0	0	0	121.4
1131	E	28.8	Very low	29.2	Very low	174 Å²	174	134 Å²	134	81%	0.813	75%	0.754	S	S	*	*	S	Bend		171.2	62.6	118.8	-94.3	-165.6	-162.9	0	0	111.9
1132	D	28.1	Very low	29	Very low	166 Å²	166	134.6 Å²	134.6	89%	0.888	75%	0.752	S	S	*	*	S	Bend	trans	174.3	89.9	154.3	-106.5	-24	0	0	0	108.3
1133	V	32.5	Very low	29.3	Very low	106 Å²	106	133 Å²	133	64%	0.642	75%	0.754	S	S	*	*			trans	-146.8	117.6	-178.2	-147.4	0	0	0	0	113.4	N1135	V1133-N1135 HydrophobicContact CG1-CB 3.74Å; V1133-N1135 VanDerWaalsContact CG1-ND2 3.29Å; V1133-N1135 WeakPolarHBondContact CG1-ND2 3.36Å; V1133-N1135 PolarHBondContact O-N 2.9Å
1134	S	27.1	Very low	29.2	Very low	108 Å²	108	137.6 Å²	137.6	76%	0.755	75%	0.754	S	S	*	*			trans	-80.9	93.9	152.6	53.4	0	0	0	0	108.6
1135	N	30	Very low	29.5	Very low	125 Å²	125	134 Å²	134	67%	0.668	75%	0.749	S	S	*	*			trans	-161.6	121.9	171.2	-91.1	-41.4	0	0	0	109	V1133	V1133-N1135 HydrophobicContact CG1-CB 3.74Å; V1133-N1135 VanDerWaalsContact CG1-ND2 3.29Å; V1133-N1135 WeakPolarHBondContact CG1-ND2 3.36Å; V1133-N1135 PolarHBondContact O-N 2.9Å
1136	Y	29.5	Very low	29.7	Very low	182 Å²	182	131.1 Å²	131.1	71%	0.714	75%	0.748	S	S	*	*				-176.3	108.4	121.5	-111.5	-74.6	0	0	0	110.6
1137	F	30.3	Very low	30	Very low	113 Å²	113	132.6 Å²	132.6	50%	0.496	75%	0.752	S	S	.	*			trans	-140.2	147.7	159.7	-115.7	-81.4	0	0	0	109.8	E619 D620	E619-F1137 HydrophobicContact CB-CE2 4.17Å; E619-F1137 HydrophobicContact CB-CZ 3.94Å; E619-F1137 HydrophobicContact CG-CZ 4.34Å; D620-F1137 HydrophobicContact CB-CD2 4.02Å; D620-F1137 HydrophobicContact CB-CE2 4.13Å
1138	S	28.8	Very low	30.2	Very low	103 Å²	103	133.7 Å²	133.7	72%	0.72	75%	0.747	S	S	*	*			trans	59.5	60.3	171	-60.4	0	0	0	0	117.8
1139	T	29	Very low	30.4	Very low	104 Å²	104	131.4 Å²	131.4	64%	0.638	75%	0.745	S	S	*	*			trans	-86.5	99.9	132.1	49.5	0	0	0	0	108.6	L1141	T1139-L1141 PolarHBondContact O-N 3.37Å
1140	S	28.4	Very low	30.5	Very low	123 Å²	123	130.9 Å²	130.9	86%	0.86	75%	0.747	S	S	*	*			trans	-66.4	103.9	170.9	-64	0	0	0	0	109.8
1141	L	27.6	Very low	30.2	Very low	150 Å²	150	131.2 Å²	131.2	79%	0.785	75%	0.749	S	S	*	*			trans	-108.9	139.6	170.8	-112.6	166.6	0	0	0	109.9	T1139 V1143	T1139-L1141 PolarHBondContact O-N 3.37Å; L1141-V1143 PolarHBondContact O-N 3.33Å; L1141-V1143 VanDerWaalsContact O-N 3.08Å
1142	E	26.3	Very low	30.6	Very low	146 Å²	146	132.2 Å²	132.2	68%	0.682	75%	0.754	S	S	*	*			trans	-57.2	104.3	-162.9	-57.1	-177.5	162.4	0	0	114.4	R1144	E1142-R1144 VanDerWaalsContact C-N 3.32Å; E1142-R1144 HydrophobicContact CB-CG 4.36Å; E1142-R1144 PolarHBondContact O-N 3.33Å; E1142-R1144 IonicContact OE2-CZ 3.57Å; E1142-R1144 IonicContact OE2-NE 3.76Å; E1142-R1144 PolarHBondContact OE2-NE 3.06Å; E1142-R1144 IonicContact OE2-NH2 2.79Å
1143	V	31.7	Very low	30.8	Very low	136 Å²	136	131.1 Å²	131.1	82%	0.824	75%	0.748	S	S	*	*			trans	-75.3	90.8	159	-179.5	0	0	0	0	108.2	L1141 S1145	L1141-V1143 PolarHBondContact O-N 3.33Å; L1141-V1143 VanDerWaalsContact O-N 3.08Å; V1143-S1145 VanDerWaalsContact C-N 3.33Å; V1143-S1145 PolarHBondContact O-N 3.5Å
1144	R	27.6	Very low	31.1	Very low	206 Å²	206	134.4 Å²	134.4	78%	0.777	76%	0.76	S	S	*	*			trans	-69.7	85.8	170.8	-71.9	-178	175.4	-170.8	-4.1	110.7	E1142 A1146	E1142-R1144 VanDerWaalsContact C-N 3.32Å; E1142-R1144 HydrophobicContact CB-CG 4.36Å; E1142-R1144 PolarHBondContact O-N 3.33Å; E1142-R1144 IonicContact OE2-CZ 3.57Å; E1142-R1144 IonicContact OE2-NE 3.76Å; E1142-R1144 PolarHBondContact OE2-NE 3.06Å; E1142-R1144 IonicContact OE2-NH2 2.79Å; R1144-A1146 PolarHBondContact O-N 3.34Å
1145	S	33.6	Very low	31.2	Very low	105 Å²	105	133.4 Å²	133.4	73%	0.734	75%	0.753	S	S	*	*			trans	-71.3	91.3	165	58.9	0	0	0	0	109.8	V1143 T1147	V1143-S1145 VanDerWaalsContact C-N 3.33Å; V1143-S1145 PolarHBondContact O-N 3.5Å; S1145-T1147 PolarHBondContact O-N 3.26Å
1146	A	31	Very low	31.5	Very low	98 Å²	98	134.8 Å²	134.8	81%	0.81	76%	0.761	S	S	*	*			trans	-79.3	100.4	-179.6	0	0	0	0	0	111.8	R1144	R1144-A1146 PolarHBondContact O-N 3.34Å
1147	T	35.2	Very low	31.8	Very low	143 Å²	143	132.6 Å²	132.6	88%	0.877	77%	0.766	S	S	*	*			trans	-131	150.2	156.1	48.9	0	0	0	0	109.9	S1145	S1145-T1147 PolarHBondContact O-N 3.26Å
1148	S	32.8	Very low	31.9	Very low	102 Å²	102	132.3 Å²	132.3	71%	0.713	78%	0.776	S	S	*	*			trans	-97.5	145.1	-157.6	55	0	0	0	0	114.6
1149	S	32.6	Very low	32	Very low	108 Å²	108	134.2 Å²	134.2	76%	0.755	78%	0.778	S	S	*	*			trans	62	142.9	147.1	69.9	0	0	0	0	118.1
1150	T	34.4	Very low	32.1	Very low	131 Å²	131	140.6 Å²	140.6	80%	0.804	79%	0.792	S	S	*	*			cis	-136.8	151.4	21.3	45.3	0	0	0	0	112.7
1151	T	29.8	Very low	32.3	Very low	126 Å²	126	140.3 Å²	140.3	77%	0.773	79%	0.785	S	S	*	*			trans	-67.8	145.5	164.1	48.9	0	0	0	0	112.4
1152	E	36.8	Very low	32.5	Very low	195 Å²	195	139.1 Å²	139.1	91%	0.911	78%	0.779	S	S	*	*				-153.6	137.2	125.4	-124.7	173.5	-148.1	0	0	110.8
1153	D	32.5	Very low	32.6	Very low	143 Å²	143	138.9 Å²	138.9	77%	0.765	78%	0.783	S	S	*	*			trans	-76.2	154.4	179.1	-64.9	-87.2	0	0	0	112.2
1154	I	38	Very low	32.7	Very low	175 Å²	175	140.1 Å²	140.1	90%	0.897	78%	0.783	S	S	*	*			trans	-151	130.1	130.7	-100.8	144.2	0	0	0	108.9
1155	S	30.3	Very low	32.8	Very low	88 Å²	88	134.8 Å²	134.8	62%	0.615	78%	0.778	S	S	*	*			trans	-105.5	-176.8	-177	55.3	0	0	0	0	112.2
1156	N	34.8	Very low	32.7	Very low	153 Å²	153	136.4 Å²	136.4	82%	0.818	78%	0.778	S	S	*	*			trans	83.3	129.7	-173.3	-45.8	-74	0	0	0	112.8
1157	T	35.7	Very low	32.9	Very low	136 Å²	136	139.5 Å²	139.5	83%	0.834	78%	0.779	S	S	*	*			cis	-136.8	169.9	27.7	39.6	0	0	0	0	113.9
1158	P	33.7	Very low	32.7	Very low	108 Å²	108	141.2 Å²	141.2	70%	0.701	77%	0.77	S	S	*	*			trans	-108.2	167.6	-157.1	41.3	-36.4	0	0	0	117.3
1159	D	31.2	Very low	32.6	Very low	143 Å²	143	142.3 Å²	142.3	77%	0.765	77%	0.767	S	S	*	*			trans	25.7	121.6	148	-58	-34.8	0	0	0	120.4
1160	Y	31.1	Very low	32.6	Very low	238 Å²	238	147.7 Å²	147.7	93%	0.933	78%	0.778	S	S	*	*			trans	-130.9	82.8	150.6	-127.7	-90	0	0	0	111.3
1161	V	32.5	Very low	32.5	Very low	116 Å²	116	147.6 Å²	147.6	70%	0.703	77%	0.772	S	S	*	*			trans	-116.6	113.7	169.3	-178.6	0	0	0	0	108.4
1162	N	30.5	Very low	32.5	Very low	125 Å²	125	146.4 Å²	146.4	67%	0.668	77%	0.769	S	S	*	*			trans	156.8	146.9	137	-89.4	-67.5	0	0	0	112.3
1163	N	29.3	Very low	32.2	Very low	141 Å²	141	146.1 Å²	146.1	75%	0.754	77%	0.767	S	S	*	*			trans	53.7	109.9	153.7	-56.6	-23.6	0	0	0	118.9
1164	I	33.8	Very low	32.2	Very low	162 Å²	162	147.8 Å²	147.8	83%	0.831	78%	0.775	S	S	*	*				-143.2	113.8	114.5	-102.6	151.6	0	0	0	107.8
1165	S	29.5	Very low	31.8	Very low	95 Å²	95	148.3 Å²	148.3	66%	0.664	77%	0.774	S	S	*	*			trans	-75	158.8	152.3	51.7	0	0	0	0	108.2
1166	D	31.4	Very low	31.7	Very low	138 Å²	138	155.7 Å²	155.7	74%	0.738	79%	0.789	S	S	*	*			trans	85	88.4	179.9	-46.3	-30.5	0	0	0	115
1167	I	35.4	Very low	31.6	Very low	164 Å²	164	155 Å²	155	84%	0.841	79%	0.79	S	S	*	*				-139.6	108.6	117.3	-87.9	140.5	0	0	0	106.6
1168	R	30.6	Very low	31.4	Very low	179 Å²	179	154.9 Å²	154.9	68%	0.675	79%	0.789	S	S	*	*			trans	-100.8	165	153	-66.7	-177.4	178	167.8	0.5	107	D429	D429-R1168 IonicContact OD2-CZ 3.49Å; D429-R1168 VanDerWaalsContact OD2-CZ 3.24Å; D429-R1168 IonicContact OD2-NH1 2.73Å; D429-R1168 PolarHBondContact OD2-NH1 3.16Å; D429-R1168 IonicContact OD2-NH2 3.5Å; D429-R1168 PolarHBondContact OD2-NH2 3.15Å
1169	N	31.3	Very low	31.1	Very low	124 Å²	124	154.5 Å²	154.5	66%	0.663	79%	0.789	S	S	*	*			trans	68.1	91.9	171.5	-53.4	26.7	0	0	0	115.4
1170	F	32.2	Very low	31.1	Very low	222 Å²	222	156 Å²	156	97%	0.974	79%	0.791	S	S	*	*			trans	-138.9	77.1	138.7	-124.3	-76.6	0	0	0	109.1
1171	D	32.3	Very low	31.1	Very low	128 Å²	128	150.5 Å²	150.5	68%	0.684	78%	0.783	S	S	*	*			trans	-96.3	161.4	172.8	-174.1	23.2	0	0	0	110.2
1172	S	30	Very low	31.2	Very low	101 Å²	101	151.9 Å²	151.9	71%	0.706	78%	0.784	S	S	*	*	S	Bend	trans	75.1	39.9	152.1	73	0	0	0	0	121.4
1173	E	30.2	Very low	31.1	Very low	189 Å²	189	151.4 Å²	151.4	88%	0.883	79%	0.786	S	S	*	*			trans	-147.7	51.5	161.2	-144.9	171	-148.2	0	0	118.4
1174	L	31.8	Very low	31.3	Very low	178 Å²	178	152 Å²	152	93%	0.932	78%	0.784	S	S	*	*	S	Bend	trans	-154	42.3	153.9	-143.5	81	0	0	0	116.4
1175	Q	30.1	Very low	31.1	Very low	187 Å²	187	151.2 Å²	151.2	87%	0.874	78%	0.777	S	S	*	*			trans	-109.9	138.8	161	-74.1	-167.2	1.1	0	0	110.8
1176	R	28.6	Very low	31.1	Very low	243 Å²	243	156.7 Å²	156.7	92%	0.917	79%	0.785	S	S	*	*			trans	81.9	83.8	178.4	-53	173.4	174	153.5	-1	117.8
1177	T	31.6	Very low	31.1	Very low	139 Å²	139	156.2 Å²	156.2	85%	0.853	79%	0.787	S	S	*	*			trans	-144.9	146.9	135.4	-21	0	0	0	0	111.5
1178	V	32	Very low	31.1	Very low	132 Å²	132	156.3 Å²	156.3	80%	0.8	78%	0.784	S	S	*	*			trans	62.4	96.9	167.2	-166.6	0	0	0	0	117.1
1179	S	28.8	Very low	31.3	Very low	100 Å²	100	153.8 Å²	153.8	70%	0.699	79%	0.791	S	S	*	*			trans	-76.1	170.2	148.8	-51.3	0	0	0	0	110.9
1180	E	31.1	Very low	31.2	Very low	174 Å²	174	153.3 Å²	153.3	81%	0.813	79%	0.792	S	S	*	*			trans	83.8	119	156.6	-63.8	168.8	-163.1	0	0	120
1181	T	30.8	Very low	31.2	Very low	124 Å²	124	151.6 Å²	151.6	76%	0.761	79%	0.787	S	S	*	*			trans	86.1	141.8	141.2	31.8	0	0	0	0	124.4
1182	I	33.2	Very low	31.4	Very low	144 Å²	144	151.5 Å²	151.5	74%	0.738	79%	0.792	S	S	*	*			trans	80.8	89.3	148.6	-66.6	157.4	0	0	0	118.4
1183	T	29.5	Very low	31.4	Very low	115 Å²	115	154.2 Å²	154.2	71%	0.706	80%	0.797	S	S	*	*				16.4	145.2	127	59.5	0	0	0	0	122
1184	H	33.8	Very low	31.4	Very low	154 Å²	154	151.4 Å²	151.4	71%	0.713	79%	0.793	S	S	*	*			trans	114.7	103.9	154.8	-84	-97.4	0	0	0	118.2
1185	Q	29.1	Very low	31.4	Very low	146 Å²	146	152 Å²	152	68%	0.682	79%	0.791	S	S	*	*				66.5	127.5	129.4	-73.9	-179.9	-52.6	0	0	122.1
1186	Y	28.9	Very low	31.4	Very low	210 Å²	210	150.2 Å²	150.2	82%	0.824	81%	0.808	S	S	*	*			trans	43.1	125.8	146.2	-65.6	-79.2	0	0	0	118.3
1187	T	32.5	Very low	31.5	Very low	128 Å²	128	145.6 Å²	145.6	79%	0.785	80%	0.803	S	S	*	*			cis	-157.6	166.1	43.7	51.1	0	0	0	0	112.5
1188	E	35.2	Very low	31.5	Very low	166 Å²	166	145.9 Å²	145.9	78%	0.776	80%	0.8	S	S	*	*			trans	-67.9	170.6	160.3	-54.2	-172.9	151.8	0	0	111.9
1189	P	34.7	Very low	31.5	Very low	126 Å²	126	146.7 Å²	146.7	82%	0.818	80%	0.8	S	S	*	*				-139.8	161.5	86.2	39.5	-26.3	0	0	0	116.3
1190	T	29.5	Very low	31.6	Very low	114 Å²	114	149.4 Å²	149.4	70%	0.699	81%	0.806	S	S	*	*			trans	-55.9	143.4	168.5	51.8	0	0	0	0	115.2
1191	E	32.4	Very low	31.7	Very low	186 Å²	186	147.9 Å²	147.9	87%	0.869	81%	0.805	S	S	*	*			trans	-172.4	157.8	130.2	-109.1	171.9	-158.3	0	0	111.9
1192	T	35.3	Very low	31.7	Very low	126 Å²	126	149.5 Å²	149.5	77%	0.773	81%	0.808	S	S	*	*			trans	95.6	84.6	-179.1	73.4	0	0	0	0	117.8
1193	L	30.2	Very low	31.6	Very low	157 Å²	157	149.9 Å²	149.9	82%	0.822	81%	0.813	S	S	*	*			trans	-136.8	44.4	166	-143.9	171.1	0	0	0	109
1194	T	29.4	Very low	31.8	Very low	131 Å²	131	152.5 Å²	152.5	80%	0.804	82%	0.822	S	S	*	*	S	Bend	trans	-145.2	3.8	-166.6	-13.7	0	0	0	0	114
1195	E	32.2	Very low	31.6	Very low	191 Å²	191	152.4 Å²	152.4	89%	0.893	83%	0.831	S	S	*	*			trans	-130.3	16.7	174.3	-69.5	-168.1	128.1	0	0	112
1196	A	30.1	Very low	31.8	Very low	148 Å²	148	153 Å²	153	100%	1.223	84%	0.844	S	S	*	*			trans	-139.6	0	175.1	0	0	0	0	0	109.5

Retrieved 1,196 of 1,196 residues in 433 ms (Link to these results)

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