A0A3Q0KJ13_SCHMA Loading...

Phosphatase 2a regulatory subunit-related

AlphaFold DB (A0A5K4EIP9), UniProt , Accession A0A3Q0KJ13, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 988 aa.

						>A0A3Q0KJ13_SCHMA|A0A3Q0KJ13
MPVLVGTPSLILISRVQVYQTCSVDLAWQRAVHACQRCPKATLTTNAVTPLISPSGGDRATSRFCPAGVHMSHCVPASEIFGATSKSVTTGAHSVLTNSDTHGSVSPAHLSWGPPDLPLPAASPNHPVHAAHIARSSYPPASSPTSSTSSTPSVKTTTSTTVHHFHPVHRSKPLDSKFGLVEKISSTASATITPTSTISPSSTTTDITPSVLPDKNIVEKRLPSIDVSEKDIDLAKSDNTESDKPHFNLSIQDTLTTKSRNDINVCENNLSSSHKDSLRAEYNSESSVEQPHTANDIAYENKSKQENGVITICSKVTPNSENQLSVDNETKHSSQTTNITATNKFSNHDADIDDVIRIKTNKTTPLRTNDRIGSKQHTPTVASTPAESNKPDVDVVAHQQSHDNQHEVNRHHRIHSSQSKSLVNSDGILEDVTSSISKVNVPSHTDSTHSSSMDSTSCVQNKGFAIPSSPTRIHKALPAFHFPLGTTRMSNEDINTELERVKQELNQFIDSPLDSGKYSDPLIPHSCFGQVAKVLNCPLYWKHAIYMNAGGTPDRQPVTLSNLLKSWSHTLNTCPDEASKFVHLLTRGRATFLVQSDFNTLIQDILESHPGLAFLEAAKDFHSRYVATVVARIFFNVNISWSGRISLGELRRSNFLPVLASLENEDDINLVTQYFSYEHFYVIYCKFWELDEDHDLIISRSDLARHNNYAISERMIDRIFSGAVTRGTAFKEGVMTYPDFVWFLLAEEDKHHPRSIEYWFRCMDLDGDGLLSMYELEYFYSEQLARMEEMGIEPISFEDCLCQCLDMVKPALTDKIRLSDMKQCRLCHIFFDTFFNLPKYLQHEQRDPFANLRMFTIINEKQDIEEGLNELSDWDRYAAETYEMLVNVEGGGNPDDGVDDDEDDDEEEDEEEDQGGTVDDEETVSNQLQKNNDSNNVTSPTANVISLVNKNDKINRKDNVGSCGLANKLESINSSELIKLESTVGAGE
					

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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	42.2	Very low	37.9	Very low	235 Å²	235	139.2 Å²	139.2	100%	1.158	83%	0.828	S	S	*	*				0	133.4	0	-69	170.4	168.8	0	0	107.9
2	P	36.4	Very low	37.5	Very low	127 Å²	127	140.9 Å²	140.9	83%	0.825	83%	0.829	S	S	*	*			trans	-88.9	138.1	165.7	34.1	-29.3	0	0	0	110.2
3	V	47.1	Very low	36.9	Very low	127 Å²	127	140.6 Å²	140.6	77%	0.77	82%	0.819	S	S	*	*			trans	-128.9	96.1	167.2	-179.4	0	0	0	0	108	V5	V3-V5 HydrophobicContact CG1-CG2 4.17Å
4	L	34.9	Very low	36.6	Very low	174 Å²	174	137.8 Å²	137.8	91%	0.911	81%	0.811	S	S	*	*			trans	-93	118.2	163.2	-87.9	166.7	0	0	0	107.9
5	V	45.9	Very low	36.1	Very low	125 Å²	125	144.2 Å²	144.2	76%	0.758	82%	0.816	S	S	*	*			trans	-134.4	111.8	160.6	-177.3	0	0	0	0	106.8	V3	V3-V5 HydrophobicContact CG1-CG2 4.17Å
6	G	37.5	Very low	35.9	Very low	70 Å²	70	143.1 Å²	143.1	72%	0.722	81%	0.813	S	S	*	*			trans	-97	148.9	173.3	0	0	0	0	0	111.2
7	T	43.2	Very low	35.7	Very low	134 Å²	134	143.5 Å²	143.5	82%	0.822	81%	0.806	S	S	*	*			trans	-122.7	120.1	171.6	46.7	0	0	0	0	109.4
8	P	36.4	Very low	35.3	Very low	119 Å²	119	143.2 Å²	143.2	77%	0.773	81%	0.808	S	S	*	*			trans	-89.6	151.6	-175.7	34.8	-34.9	0	0	0	113.6
9	S	29.6	Very low	35.1	Very low	106 Å²	106	145.7 Å²	145.7	74%	0.741	81%	0.805	S	S	*	*			trans	50.1	107.5	146	-55	0	0	0	0	120.2
10	L	33.3	Very low	34.8	Very low	168 Å²	168	147.1 Å²	147.1	88%	0.88	81%	0.805	S	S	*	*			trans	-128.6	108.5	137.3	-88.9	175.8	0	0	0	109.8	L12	L10-L12 PolarHBondContact O-N 3.01Å
11	I	30.8	Very low	34.6	Very low	146 Å²	146	146.2 Å²	146.2	75%	0.749	80%	0.804	S	S	*	*			trans	-86.7	105	170.4	-59	175.7	0	0	0	107.4	I13	I11-I13 HydrophobicContact CG2-CG1 4.01Å; I11-I13 PolarHBondContact O-N 2.88Å
12	L	33.2	Very low	34.1	Very low	160 Å²	160	141.2 Å²	141.2	84%	0.838	79%	0.791	S	S	*	*			trans	-86.5	91.3	175.3	-108.9	159.5	0	0	0	110.1	L10 S14	L10-L12 PolarHBondContact O-N 3.01Å; L12-S14 VanDerWaalsContact C-N 3.34Å; L12-S14 PolarHBondContact O-N 2.69Å
13	I	29.7	Very low	33.7	Very low	137 Å²	137	141.2 Å²	141.2	70%	0.703	79%	0.794	S	S	*	*			trans	-71.1	90.5	171.8	-55.9	177.6	0	0	0	108.5	I11 R15	I11-I13 HydrophobicContact CG2-CG1 4.01Å; I11-I13 PolarHBondContact O-N 2.88Å; I13-R15 HydrophobicContact CG2-CG 4.49Å; I13-R15 PolarHBondContact O-N 2.63Å
14	S	31.8	Very low	33.1	Very low	101 Å²	101	141.6 Å²	141.6	71%	0.706	80%	0.796	S	S	*	*			trans	-74.7	114.7	167.2	-168.4	0	0	0	0	109.6	L12 V16	L12-S14 VanDerWaalsContact C-N 3.34Å; L12-S14 PolarHBondContact O-N 2.69Å; S14-V16 PolarHBondContact O-N 3.33Å
15	R	29.4	Very low	32.9	Very low	234 Å²	234	139.5 Å²	139.5	88%	0.883	79%	0.786	S	S	*	*			trans	-89.2	96.2	170.4	-79.9	179.9	167.3	156.4	-4.7	109.2	I13	I13-R15 HydrophobicContact CG2-CG 4.49Å; I13-R15 PolarHBondContact O-N 2.63Å
16	V	33.3	Very low	32.5	Very low	127 Å²	127	139.6 Å²	139.6	77%	0.77	78%	0.782	S	S	*	*			trans	-97.6	141.6	162.1	-176.1	0	0	0	0	108.4	S14	S14-V16 PolarHBondContact O-N 3.33Å
17	Q	32.2	Very low	32.4	Very low	149 Å²	149	139 Å²	139	70%	0.696	77%	0.77	S	S	*	*			trans	-80.3	131.6	-171.7	-73.1	167.2	-118.6	0	0	111.7	Y19	Q17-Y19 HydrophobicContact CB-CD2 4.17Å; Q17-Y19 HydrophobicContact CB-CE2 4.19Å; Q17-Y19 PolarHBondContact O-N 3.31Å; Q17-Y19 VanDerWaalsContact O-N 3.09Å
18	V	28.5	Very low	32.1	Very low	138 Å²	138	141.1 Å²	141.1	84%	0.836	76%	0.763	S	S	*	*			trans	-63.8	108.7	163.7	177.4	0	0	0	0	108.3
19	Y	31.2	Very low	32	Very low	192 Å²	192	142.2 Å²	142.2	75%	0.753	76%	0.758	S	S	*	*			trans	-95.9	112.1	165.3	-96.4	-90	0	0	0	109.3	Q17 T21	Q17-Y19 HydrophobicContact CB-CD2 4.17Å; Q17-Y19 HydrophobicContact CB-CE2 4.19Å; Q17-Y19 PolarHBondContact O-N 3.31Å; Q17-Y19 VanDerWaalsContact O-N 3.09Å; Y19-T21 PolarHBondContact O-N 2.65Å
20	Q	29	Very low	32.3	Very low	173 Å²	173	147.5 Å²	147.5	81%	0.808	76%	0.762	S	S	*	*			trans	-74	119.1	165	-62.8	169.8	-95.9	0	0	108.6
21	T	30.9	Very low	32.4	Very low	129 Å²	129	143 Å²	143	79%	0.791	75%	0.748	S	S	*	*			trans	177.9	109.5	134.1	33.4	0	0	0	0	110.2	Y19	Y19-T21 PolarHBondContact O-N 2.65Å
22	C	31.4	Very low	32.6	Very low	130 Å²	130	141.3 Å²	141.3	88%	0.878	75%	0.745	S	S	*	*				176.1	132.1	115.8	-94	0	0	0	0	109.1
23	S	28.1	Very low	32.7	Very low	127 Å²	127	142.4 Å²	142.4	89%	0.888	75%	0.745	S	S	*	*			trans	-87.2	127	-177.2	-55.3	0	0	0	0	110.9
24	V	34.8	Very low	32.8	Very low	135 Å²	135	139.9 Å²	139.9	82%	0.818	75%	0.745	S	S	*	*			trans	-100.2	132.3	154.7	-176.2	0	0	0	0	107.2	L26	V24-L26 PolarHBondContact O-N 3.28Å
25	D	30.8	Very low	32.8	Very low	129 Å²	129	140.3 Å²	140.3	69%	0.69	75%	0.747	S	S	*	*			trans	-86.4	113.5	-163.5	-168.8	-4.9	0	0	0	113	A27	D25-A27 PolarHBondContact O-N 3.31Å; D25-A27 VanDerWaalsContact O-N 3.15Å; D25-A27 VanDerWaalsContact OD1-CB 3.24Å; D25-A27 WeakPolarHBondContact OD1-CB 3.41Å; D25-A27 PolarHBondContact OD1-N 3.41Å
26	L	36.6	Very low	32.9	Very low	128 Å²	128	138.7 Å²	138.7	67%	0.67	75%	0.749	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.4	5.1	175.7	-81.6	86.9	0	0	0	114.1	V24 W28	V24-L26 PolarHBondContact O-N 3.28Å; L26-W28 VanDerWaalsContact C-N 3.27Å; L26-W28 PolarHBondContact O-N 3.14Å
27	A	35.4	Very low	32.8	Very low	58 Å²	58	143.7 Å²	143.7	48%	0.479	75%	0.754	S	S	.	*	T	Hydrogen-bonded Turn	trans	-57.8	-34	176.5	0	0	0	0	0	114.1	D25 Q29 R30	D25-A27 PolarHBondContact O-N 3.31Å; D25-A27 VanDerWaalsContact O-N 3.15Å; D25-A27 VanDerWaalsContact OD1-CB 3.24Å; D25-A27 WeakPolarHBondContact OD1-CB 3.41Å; D25-A27 PolarHBondContact OD1-N 3.41Å; A27-Q29 PolarHBondContact O-N 3.38Å; A27-R30 PolarHBondContact O-N 2.62Å
28	W	37.2	Very low	32.8	Very low	177 Å²	177	142.1 Å²	142.1	67%	0.67	76%	0.758	S	S	*	*	G	3₁₀ helix	trans	-55.6	-45.5	-178.8	161.4	-101.2	0	0	0	113.2	L26 R30 A31 F849	L26-W28 VanDerWaalsContact C-N 3.27Å; L26-W28 PolarHBondContact O-N 3.14Å; W28-R30 PolarHBondContact O-N 2.97Å; W28-A31 PolarHBondContact O-N 2.89Å; W28-A31 VanDerWaalsContact O-N 3.15Å; W28-F849 HydrophobicContact CZ2-CZ 4.35Å
29	Q	35.6	Very low	32.8	Very low	143 Å²	143	140.8 Å²	140.8	67%	0.668	75%	0.753	S	S	*	*	G	3₁₀ helix	trans	-68.4	-7.6	-174.7	-70.9	-177.5	-20.6	0	0	114.4	A27	A27-Q29 PolarHBondContact O-N 3.38Å
30	R	35	Very low	32.8	Very low	217 Å²	217	141.3 Å²	141.3	82%	0.819	76%	0.759	S	S	*	*	G	3₁₀ helix	trans	-100.9	-11.3	176.3	-70.2	-178.7	175.1	146.8	1.6	114.2	A27 W28	A27-R30 PolarHBondContact O-N 2.62Å; W28-R30 PolarHBondContact O-N 2.97Å
31	A	35	Very low	33	Very low	72 Å²	72	137.9 Å²	137.9	60%	0.595	76%	0.76	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.5	-32.9	-178.5	0	0	0	0	0	113.5	W28 H33	W28-A31 PolarHBondContact O-N 2.89Å; W28-A31 VanDerWaalsContact O-N 3.15Å; A31-H33 VanDerWaalsContact C-N 3.27Å; A31-H33 PolarHBondContact O-N 2.76Å
32	V	35	Very low	32.9	Very low	112 Å²	112	137.7 Å²	137.7	68%	0.679	76%	0.758	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.4	-20.1	-172.9	-175.7	0	0	0	0	112.9	A34	V32-A34 PolarHBondContact O-N 2.81Å
33	H	35.1	Very low	32.9	Very low	183 Å²	183	139.1 Å²	139.1	85%	0.847	76%	0.757	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.7	12.3	-171.5	-125.1	-75.8	0	0	0	115.4	A31	A31-H33 VanDerWaalsContact C-N 3.27Å; A31-H33 PolarHBondContact O-N 2.76Å
34	A	31.5	Very low	33.1	Very low	84 Å²	84	139.4 Å²	139.4	69%	0.694	75%	0.753	S	S	*	*			trans	-132.6	37.2	-163.2	0	0	0	0	0	116.2	V32	V32-A34 PolarHBondContact O-N 2.81Å
35	C	33.1	Very low	32.9	Very low	110 Å²	110	138.3 Å²	138.3	74%	0.743	75%	0.747	S	S	*	*			trans	-130.6	81.1	171.4	-165.4	0	0	0	0	113.5	R37	C35-R37 VanDerWaalsContact C-N 3.34Å; C35-R37 PolarHBondContact O-N 3.26Å
36	Q	30.5	Very low	32.9	Very low	199 Å²	199	139.2 Å²	139.2	93%	0.93	75%	0.752	S	S	*	*			trans	-89.1	21.9	176.2	-73.2	-165.7	-23.2	0	0	114.5
37	R	32.7	Very low	32.6	Very low	232 Å²	232	137.6 Å²	137.6	88%	0.875	76%	0.757	S	S	*	*			trans	-146.3	73	-174.4	-70.2	-166.7	175.1	-155.1	-1.9	115.4	C35	C35-R37 VanDerWaalsContact C-N 3.34Å; C35-R37 PolarHBondContact O-N 3.26Å
38	C	30.6	Very low	32.6	Very low	117 Å²	117	141.5 Å²	141.5	79%	0.791	78%	0.775	S	S	*	*			trans	-153.7	105.9	149.8	-156.2	0	0	0	0	112.3
39	P	29.9	Very low	32.3	Very low	110 Å²	110	139.5 Å²	139.5	71%	0.714	78%	0.782	S	S	*	*			trans	-86	155	166.8	34.4	-32.2	0	0	0	111.5
40	K	29.7	Very low	32.2	Very low	203 Å²	203	137.6 Å²	137.6	88%	0.883	78%	0.782	S	S	*	*			trans	85.4	96.5	179.5	-53.4	178.7	178.8	-176	0	116.6
41	A	33.5	Very low	32.1	Very low	101 Å²	101	135.2 Å²	135.2	84%	0.835	79%	0.785	S	S	*	*			trans	-151.7	98.5	144.1	0	0	0	0	0	107.4
42	T	29.3	Very low	31.8	Very low	124 Å²	124	139 Å²	139	76%	0.761	79%	0.793	S	S	*	*			trans	-158.5	138.8	-175.3	-38.8	0	0	0	0	109.5
43	L	30.8	Very low	31.6	Very low	161 Å²	161	139.2 Å²	139.2	84%	0.843	80%	0.8	S	S	*	*			trans	68.4	154.2	-175.7	-40.4	176	0	0	0	112.8
44	T	33.8	Very low	31.7	Very low	132 Å²	132	136.3 Å²	136.3	81%	0.81	80%	0.797	S	S	*	*			cis	-135.4	161	11.4	45.4	0	0	0	0	112.4
45	T	30.8	Very low	31.9	Very low	112 Å²	112	138.2 Å²	138.2	69%	0.687	81%	0.805	S	S	*	*			trans	-93.9	160.6	169.6	58	0	0	0	0	112.7
46	N	30.5	Very low	31.7	Very low	148 Å²	148	137.2 Å²	137.2	79%	0.791	81%	0.814	S	S	*	*			trans	128	135.4	144.5	-65.4	-2.1	0	0	0	117.1
47	A	30.3	Very low	31.8	Very low	94 Å²	94	131.4 Å²	131.4	78%	0.777	81%	0.808	S	S	*	*			trans	59.3	106.6	146.4	0	0	0	0	0	121.3
48	V	34.1	Very low	31.7	Very low	141 Å²	141	128 Å²	128	86%	0.855	81%	0.806	S	S	*	*				-141.2	127.2	128.2	-177.2	0	0	0	0	109.7
49	T	31	Very low	31.8	Very low	135 Å²	135	134.1 Å²	134.1	83%	0.828	81%	0.813	S	S	*	*			trans	-126.2	149.8	150.6	-24	0	0	0	0	105.2
50	P	34.5	Very low	31.7	Very low	103 Å²	103	133.7 Å²	133.7	67%	0.669	82%	0.819	S	S	*	*				-158.9	166.8	96.6	42.1	-23.6	0	0	0	117.9
51	L	31.6	Very low	31.8	Very low	167 Å²	167	130.2 Å²	130.2	87%	0.874	82%	0.815	S	S	*	*			trans	73.1	163.8	144.6	-113.1	67	0	0	0	122.5
52	I	28.6	Very low	31.5	Very low	150 Å²	150	129.4 Å²	129.4	77%	0.769	80%	0.803	S	S	*	*			trans	-131	140.5	-161.1	-63.7	156.2	0	0	0	108.6
53	S	31.7	Very low	31.5	Very low	118 Å²	118	132 Å²	132	83%	0.825	80%	0.799	S	S	*	*			trans	-175.8	145.4	135.7	-80.5	0	0	0	0	111.1
54	P	37.7	Very low	31.3	Very low	122 Å²	122	133.5 Å²	133.5	79%	0.792	80%	0.799	S	S	*	*			trans	-102.8	157.5	-173.9	38.8	-34.3	0	0	0	114.1
55	S	34.8	Very low	30.9	Very low	123 Å²	123	132.3 Å²	132.3	86%	0.86	80%	0.795	S	S	*	*			trans	-168.7	130	150.3	45.1	0	0	0	0	113.8
56	G	30.2	Very low	30.8	Very low	89 Å²	89	132.2 Å²	132.2	92%	0.918	80%	0.796	S	S	*	*			trans	49.8	131.5	144.9	0	0	0	0	0	123
57	G	32.2	Very low	30.6	Very low	78 Å²	78	127.8 Å²	127.8	80%	0.804	78%	0.78	S	S	*	*			trans	137.8	95.1	148.5	0	0	0	0	0	116.2
58	D	30.1	Very low	30.5	Very low	159 Å²	159	127 Å²	127	85%	0.85	78%	0.781	S	S	*	*			trans	-62.1	142.6	177.7	-60.7	-85.8	0	0	0	115.2
59	R	32	Very low	30.4	Very low	247 Å²	247	125.6 Å²	125.6	93%	0.932	77%	0.773	S	S	*	*				-172	124.9	118.7	-105	159.9	179.2	160.3	3.9	113.8
60	A	28.4	Very low	30.5	Very low	101 Å²	101	128.3 Å²	128.3	84%	0.835	78%	0.775	S	S	*	*			trans	-77.1	137.2	171.3	0	0	0	0	0	112.8
61	T	32.5	Very low	30.1	Very low	129 Å²	129	131.6 Å²	131.6	79%	0.791	78%	0.784	S	S	*	*			trans	-148.1	128.9	149.6	31.1	0	0	0	0	111
62	S	27.2	Very low	30.1	Very low	85 Å²	85	128.2 Å²	128.2	59%	0.594	77%	0.774	S	S	*	*			trans	-64.5	142.5	168.7	166.2	0	0	0	0	112.5
63	R	29.2	Very low	30.2	Very low	179 Å²	179	130 Å²	130	68%	0.675	78%	0.779	S	S	*	*				-167.6	148.1	129	-106.8	164.5	-136.6	-129.1	-2.5	113.9	E182	R63-E182 IonicContact CZ-OE1 3.21Å; R63-E182 IonicContact NH1-OE1 2.78Å; R63-E182 PolarHBondContact NH1-OE1 2.93Å; R63-E182 IonicContact NH2-OE1 2.7Å; R63-E182 PolarHBondContact NH2-OE1 3.41Å
64	F	25.8	Very low	30	Very low	191 Å²	191	130.3 Å²	130.3	84%	0.838	78%	0.78	S	S	*	*			trans	-53.6	151.4	160.5	-95.2	-117.5	0	0	0	112.1
65	C	26.4	Very low	29.8	Very low	107 Å²	107	129.6 Å²	129.6	72%	0.723	77%	0.773	S	S	*	*			trans	-142	96.8	152.6	-169.3	0	0	0	0	110.5	A67	C65-A67 PolarHBondContact O-N 2.82Å
66	P	27.4	Very low	29.8	Very low	111 Å²	111	127.9 Å²	127.9	72%	0.721	76%	0.759	S	S	*	*			trans	-82.4	61.7	176	35.3	-34.5	0	0	0	110.7
67	A	27.5	Very low	29.7	Very low	55 Å²	55	129.1 Å²	129.1	46%	0.455	76%	0.761	S	S	.	*			trans	-156.6	107.9	175	0	0	0	0	0	111.3	C65 V69	C65-A67 PolarHBondContact O-N 2.82Å; A67-V69 PolarHBondContact O-N 2.8Å
68	G	27.5	Very low	29.8	Very low	76 Å²	76	130 Å²	130	78%	0.784	76%	0.755	S	S	*	*			trans	-74.5	51.5	-178.9	0	0	0	0	0	115.3
69	V	31.6	Very low	30	Very low	113 Å²	113	130.2 Å²	130.2	69%	0.685	75%	0.75	S	S	*	*			trans	-111.6	83.7	-174.6	-169.5	0	0	0	0	111.7	A67 M71	A67-V69 PolarHBondContact O-N 2.8Å; V69-M71 HydrophobicContact CG1-CG 4.36Å; V69-M71 PolarHBondContact O-N 2.66Å; V69-M71 VanDerWaalsContact O-N 3.1Å
70	H	33	Very low	30	Very low	191 Å²	191	125.3 Å²	125.3	88%	0.884	74%	0.741	S	S	*	*			trans	-75.5	97.1	176.1	-121.8	-102.5	0	0	0	111.5	S72	H70-S72 PolarHBondContact O-N 2.9Å
71	M	26.6	Very low	30.1	Very low	172 Å²	172	131 Å²	131	85%	0.847	75%	0.748	S	S	*	*			trans	-73.5	75.9	-178.9	-81.8	-83.7	-82.5	0	0	113.3	V69 H73	V69-M71 HydrophobicContact CG1-CG 4.36Å; V69-M71 PolarHBondContact O-N 2.66Å; V69-M71 VanDerWaalsContact O-N 3.1Å; M71-H73 PolarHBondContact O-N 3.3Å
72	S	32.9	Very low	30	Very low	96 Å²	96	128.3 Å²	128.3	67%	0.671	75%	0.745	S	S	*	*			trans	-82.5	88.9	170.3	62.4	0	0	0	0	112.1	H70 C74	H70-S72 PolarHBondContact O-N 2.9Å; S72-C74 PolarHBondContact O-N 3.49Å
73	H	29.8	Very low	30.2	Very low	187 Å²	187	128.6 Å²	128.6	87%	0.866	75%	0.753	S	S	*	*			trans	33.8	68.8	162.7	-66.5	-71.7	0	0	0	117.9	M71	M71-H73 PolarHBondContact O-N 3.3Å
74	C	27.6	Very low	30.5	Very low	126 Å²	126	127.3 Å²	127.3	85%	0.851	77%	0.765	S	S	*	*			trans	-102.3	99.2	163.5	-73.6	0	0	0	0	111.2	S72	S72-C74 PolarHBondContact O-N 3.49Å
75	V	33.5	Very low	30.7	Very low	106 Å²	106	123.4 Å²	123.4	64%	0.642	76%	0.761	S	S	*	*			trans	-75.9	137.1	171.7	-179.9	0	0	0	0	109.5	A77	V75-A77 PolarHBondContact O-N 2.95Å
76	P	34.1	Very low	31	Very low	87 Å²	87	128.3 Å²	128.3	57%	0.565	77%	0.771	S	S	*	*			trans	-56.8	135.4	177	-26.6	35.7	0	0	0	113.1	S78	P76-S78 PolarHBondContact O-N 3.46Å
77	A	27.5	Very low	31.2	Very low	116 Å²	116	128 Å²	128	96%	0.959	77%	0.771	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.4	36	-174.5	0	0	0	0	0	114.5	V75	V75-A77 PolarHBondContact O-N 2.95Å
78	S	35.1	Very low	31.4	Very low	97 Å²	97	131.5 Å²	131.5	68%	0.678	79%	0.786	S	S	*	*	T	Hydrogen-bonded Turn	trans	-129.4	-5.8	-169.5	51.7	0	0	0	0	115.5	P76	P76-S78 PolarHBondContact O-N 3.46Å
79	E	33.6	Very low	31.6	Very low	162 Å²	162	133 Å²	133	76%	0.757	78%	0.78	S	S	*	*	S	Bend	trans	-117.7	10.8	-170.9	-61.4	-161.7	145.2	0	0	115.9
80	I	33.1	Very low	31.6	Very low	145 Å²	145	134.1 Å²	134.1	74%	0.744	79%	0.788	S	S	*	*	S	Bend	trans	-111.5	37.5	-178.2	-36.8	-175.6	0	0	0	112.9
81	F	29.6	Very low	31.6	Very low	221 Å²	221	129 Å²	129	97%	0.969	79%	0.786	S	S	*	*			trans	-133	68.9	168.6	-81	-75.4	0	0	0	111.1
82	G	31.8	Very low	31.8	Very low	72 Å²	72	125.3 Å²	125.3	74%	0.742	78%	0.783	S	S	*	*			trans	-144.8	65.9	-171.8	0	0	0	0	0	115
83	A	30.8	Very low	31.8	Very low	91 Å²	91	129.9 Å²	129.9	75%	0.752	79%	0.793	S	S	*	*			trans	40	113	159.9	0	0	0	0	0	120.3
84	T	34.5	Very low	31.7	Very low	151 Å²	151	125.5 Å²	125.5	93%	0.926	78%	0.784	S	S	*	*				-167.9	158.1	110.5	23.5	0	0	0	0	112
85	S	30.2	Very low	31.7	Very low	110 Å²	110	125 Å²	125	77%	0.769	78%	0.776	S	S	*	*			trans	-102.4	146.7	-161.1	-39.8	0	0	0	0	114.3
86	K	34.3	Very low	31.4	Very low	210 Å²	210	127 Å²	127	91%	0.913	78%	0.783	S	S	*	*				-167.2	137.8	126.8	-100.5	146.1	-170.6	176.1	0	113.9
87	S	30.7	Very low	31.1	Very low	104 Å²	104	128 Å²	128	73%	0.727	79%	0.787	S	S	*	*			trans	-35.3	152.5	169.8	-142.4	0	0	0	0	115.1
88	V	31.5	Very low	31.1	Very low	129 Å²	129	129.7 Å²	129.7	78%	0.782	78%	0.78	S	S	*	*				-153.4	146.2	67.1	159.1	0	0	0	0	114.9
89	T	32.3	Very low	30.7	Very low	107 Å²	107	128.9 Å²	128.9	66%	0.656	78%	0.775	S	S	*	*			trans	-35.6	125.9	170.2	42.5	0	0	0	0	116.7
90	T	31.4	Very low	30.5	Very low	137 Å²	137	127.7 Å²	127.7	84%	0.84	77%	0.774	S	S	*	*				79.4	126.8	65.8	64.7	0	0	0	0	117.1
91	G	32.4	Very low	30.3	Very low	83 Å²	83	125.8 Å²	125.8	86%	0.856	77%	0.769	S	S	*	*			trans	-175.6	122.6	162.5	0	0	0	0	0	111.9
92	A	30.3	Very low	30.5	Very low	94 Å²	94	123.9 Å²	123.9	78%	0.777	76%	0.763	S	S	*	*			trans	-148.8	148	-176.2	0	0	0	0	0	111.4
93	H	33.7	Very low	30.2	Very low	192 Å²	192	124.2 Å²	124.2	89%	0.889	77%	0.766	S	S	*	*			trans	-157.1	101.9	164.7	-105.7	-71.9	0	0	0	115.2
94	S	28.3	Very low	30	Very low	95 Å²	95	125.2 Å²	125.2	66%	0.664	77%	0.768	S	S	*	*				40.8	114.2	127	-174.2	0	0	0	0	123.8
95	V	27.2	Very low	29.6	Very low	115 Å²	115	124.1 Å²	124.1	70%	0.697	76%	0.761	S	S	*	*				39.2	136.6	121.3	-156.7	0	0	0	0	122
96	L	27.7	Very low	29.3	Very low	148 Å²	148	124.1 Å²	124.1	78%	0.775	76%	0.76	S	S	*	*			trans	146.5	99.7	133.2	-76.2	170.1	0	0	0	110.7
97	T	27.1	Very low	29.4	Very low	108 Å²	108	120.1 Å²	120.1	66%	0.663	76%	0.756	S	S	*	*				59.5	113.7	88.9	63.5	0	0	0	0	116.7
98	N	27.8	Very low	29.1	Very low	152 Å²	152	119.3 Å²	119.3	81%	0.813	76%	0.756	S	S	*	*				-165.5	146.5	111.5	-106.2	2.9	0	0	0	115.7
99	S	26.9	Very low	28.8	Very low	81 Å²	81	121.6 Å²	121.6	57%	0.566	76%	0.757	S	S	*	*			trans	7.9	167.7	153.2	63.3	0	0	0	0	125.2
100	D	28.3	Very low	28.4	Very low	137 Å²	137	123.6 Å²	123.6	73%	0.733	76%	0.763	S	S	*	*			trans	80.9	134.2	155.8	-52.5	-49.4	0	0	0	117.6
101	T	29.4	Very low	28	Very low	105 Å²	105	121.5 Å²	121.5	64%	0.644	76%	0.755	S	S	*	*			cis	-157	162.2	-0.8	6.2	0	0	0	0	111.7
102	H	34.1	Very low	27.6	Very low	181 Å²	181	129.1 Å²	129.1	84%	0.838	76%	0.758	S	S	*	*			trans	64.7	128.2	174.2	-51.1	-76.5	0	0	0	116.9
103	G	25.9	Very low	27.5	Very low	79 Å²	79	126.9 Å²	126.9	81%	0.814	74%	0.744	S	S	*	*			cis	115.7	97.5	-12.7	0	0	0	0	0	115.5
104	S	26.4	Very low	27.2	Very low	111 Å²	111	123.4 Å²	123.4	78%	0.776	74%	0.739	S	S	*	*			trans	-166.9	132	157.8	-170	0	0	0	0	112.3
105	V	26.4	Very low	27.2	Very low	129 Å²	129	123.5 Å²	123.5	78%	0.782	74%	0.737	S	S	*	*			trans	29.8	110.6	144.9	-174.8	0	0	0	0	117.3
106	S	23.8	Very low	27	Very low	109 Å²	109	124.1 Å²	124.1	76%	0.762	74%	0.736	S	S	*	*			cis	76.6	146	36.5	-140.4	0	0	0	0	114.6
107	P	37	Very low	27.1	Very low	126 Å²	126	123.5 Å²	123.5	82%	0.818	73%	0.733	S	S	*	*			trans	-97	151.8	-154.9	36.8	-36.2	0	0	0	116.6
108	A	23.6	Very low	27	Very low	88 Å²	88	124.4 Å²	124.4	73%	0.727	74%	0.74	S	S	*	*			trans	-149.4	141.1	154.2	0	0	0	0	0	107.6
109	H	24.2	Very low	26.9	Very low	176 Å²	176	124 Å²	124	82%	0.815	74%	0.738	S	S	*	*			cis	75.1	148.6	40.9	-140.9	-82.9	0	0	0	113.3
110	L	23.8	Very low	27.1	Very low	149 Å²	149	125.7 Å²	125.7	78%	0.78	75%	0.747	S	S	*	*			trans	86.9	89.8	-170	-52.9	170.9	0	0	0	113.1
111	S	23.9	Very low	26.9	Very low	94 Å²	94	123.9 Å²	123.9	66%	0.657	75%	0.751	S	S	*	*			cis	56.7	93.7	47.2	173.4	0	0	0	0	114.2
112	W	24.1	Very low	26.7	Very low	242 Å²	242	123.3 Å²	123.3	92%	0.917	76%	0.757	S	S	*	*			trans	-140.7	91.3	136	-92.6	89.4	0	0	0	109.7
113	G	28.3	Very low	26.5	Very low	48 Å²	48	120.3 Å²	120.3	50%	0.495	76%	0.756	S	S	.	*			trans	-81.9	-156.4	133.8	0	0	0	0	0	108.8
114	P	27.4	Very low	26.7	Very low	119 Å²	119	121.5 Å²	121.5	77%	0.773	75%	0.75	S	S	*	*			cis	-122.4	-126.2	3.2	27.2	-2	0	0	0	110.7
115	P	27.9	Very low	27	Very low	96 Å²	96	124 Å²	124	62%	0.623	75%	0.754	S	S	*	*				-127.2	-163.3	-93.3	39	-22.8	0	0	0	114.5
116	D	24.2	Very low	27.1	Very low	128 Å²	128	125.3 Å²	125.3	68%	0.684	75%	0.751	S	S	*	*			trans	74.9	108.4	146.2	-67.3	-19.5	0	0	0	120.7
117	L	29.7	Very low	27.4	Very low	136 Å²	136	125.8 Å²	125.8	71%	0.712	75%	0.752	S	S	*	*				47	133.7	103.7	-64.2	173.2	0	0	0	117.6
118	P	24.9	Very low	27	Very low	126 Å²	126	124.3 Å²	124.3	82%	0.818	74%	0.74	S	S	*	*				-148.5	163.8	69.2	39.3	-20.4	0	0	0	119.8
119	L	25.8	Very low	27.4	Very low	144 Å²	144	129 Å²	129	75%	0.754	75%	0.747	S	S	*	*			trans	-58.4	-176.3	160.1	-65.7	149.5	0	0	0	113.2
120	P	30	Very low	27.7	Very low	117 Å²	117	124.1 Å²	124.1	76%	0.76	74%	0.737	S	S	*	*			cis	-134.4	-175.6	-48.7	38.2	-22.7	0	0	0	111.8
121	A	24.2	Very low	28	Very low	99 Å²	99	121.4 Å²	121.4	82%	0.818	74%	0.736	S	S	*	*			trans	174.2	121.4	133.7	0	0	0	0	0	116.6
122	A	25.9	Very low	28.2	Very low	93 Å²	93	125.5 Å²	125.5	77%	0.769	74%	0.744	S	S	*	*			trans	6.5	124.6	146	0	0	0	0	0	124.1
123	S	28.4	Very low	28.6	Very low	117 Å²	117	121 Å²	121	82%	0.818	74%	0.737	S	S	*	*				62.7	168.4	125.6	-98.7	0	0	0	0	121.8
124	P	31.2	Very low	28.8	Very low	105 Å²	105	124 Å²	124	68%	0.682	76%	0.757	S	S	*	*			cis	-126.8	156.1	-0.3	39.4	-24.9	0	0	0	116.2
125	N	32.1	Very low	29	Very low	163 Å²	163	129.2 Å²	129.2	87%	0.872	76%	0.761	S	S	*	*			trans	-179.4	109.4	133.6	-96.1	-29.8	0	0	0	109.9
126	H	28.2	Very low	29.4	Very low	157 Å²	157	130 Å²	130	73%	0.727	77%	0.769	S	S	*	*			trans	-152.1	123.4	-176	-174	1.1	0	0	0	110
127	P	30.8	Very low	29.8	Very low	118 Å²	118	128.2 Å²	128.2	77%	0.766	77%	0.766	S	S	*	*			trans	-91.8	127.8	155.4	32.5	-26.7	0	0	0	109
128	V	28.8	Very low	30	Very low	95 Å²	95	132.3 Å²	132.3	58%	0.576	77%	0.774	S	S	*	*			trans	-96.8	126.1	175.2	177.7	0	0	0	0	108.9	A130	V128-A130 HydrophobicContact CG1-CB 4.27Å
129	H	31.2	Very low	30.6	Very low	186 Å²	186	131.8 Å²	131.8	86%	0.861	77%	0.771	S	S	*	*			trans	-137.5	103.4	153.5	-89.3	-88.2	0	0	0	105.6
130	A	31.1	Very low	31	Very low	74 Å²	74	130.9 Å²	130.9	61%	0.612	77%	0.773	S	S	*	*				61.4	105	51.7	0	0	0	0	0	111.5	V128	V128-A130 HydrophobicContact CG1-CB 4.27Å
131	A	29.6	Very low	31.4	Very low	93 Å²	93	130.1 Å²	130.1	77%	0.769	78%	0.777	S	S	*	*			trans	-63.7	136	174.4	0	0	0	0	0	111.1
132	H	29.5	Very low	32.1	Very low	179 Å²	179	130.9 Å²	130.9	83%	0.829	78%	0.776	S	S	*	*			trans	177.4	144.9	134.1	-100.4	-63	0	0	0	111.6
133	I	31.6	Very low	32.3	Very low	147 Å²	147	131.7 Å²	131.7	75%	0.754	78%	0.776	S	S	*	*			trans	70	91.8	162.9	-52.8	150.8	0	0	0	115.8	R135	I133-R135 HydrophobicContact CG2-CB 4.19Å
134	A	32.4	Very low	33.2	Very low	111 Å²	111	132.2 Å²	132.2	92%	0.917	78%	0.777	S	S	*	*				-108.2	124.8	122	0	0	0	0	0	106.8
135	R	31.9	Very low	33.3	Very low	230 Å²	230	133 Å²	133	87%	0.868	78%	0.78	S	S	*	*			trans	-142.4	103.1	-176.7	-168.1	-175.7	-171.8	-149.3	2.3	112.2	I133	I133-R135 HydrophobicContact CG2-CB 4.19Å
136	S	35.4	Very low	33.4	Very low	112 Å²	112	130.9 Å²	130.9	78%	0.783	78%	0.778	S	S	*	*			trans	-163.4	130.3	171.5	-178.3	0	0	0	0	105.4
137	S	33.3	Very low	33.8	Very low	90 Å²	90	127.9 Å²	127.9	63%	0.629	78%	0.775	S	S	*	*			cis	-146.8	-170.7	5.7	-94	0	0	0	0	110.8
138	Y	34.2	Very low	34.1	Very low	223 Å²	223	128.5 Å²	128.5	88%	0.875	78%	0.776	S	S	*	*			trans	84.2	149.4	174.2	-62	-78.4	0	0	0	117.7
139	P	37.5	Very low	34.7	Very low	115 Å²	115	129.5 Å²	129.5	75%	0.747	79%	0.788	S	S	*	*			trans	-124.2	165.2	-138.3	41.9	-29.4	0	0	0	116.7
140	P	34.5	Very low	35.1	Very low	124 Å²	124	125.7 Å²	125.7	81%	0.805	78%	0.782	S	S	*	*			trans	-109.5	137.3	179.5	38.1	-29.8	0	0	0	115.3
141	A	38.3	Very low	35.4	Very low	101 Å²	101	128.2 Å²	128.2	84%	0.835	79%	0.79	S	S	*	*			trans	-168.8	152.5	161.9	0	0	0	0	0	108.7
142	S	37.8	Very low	36.1	Very low	115 Å²	115	128.9 Å²	128.9	80%	0.804	79%	0.786	S	S	*	*			cis	-167.5	148	-14.8	48.9	0	0	0	0	108.8
143	S	30.6	Very low	36.6	Very low	111 Å²	111	125.7 Å²	125.7	78%	0.776	78%	0.784	S	S	*	*			trans	-115	137.3	175.2	50.4	0	0	0	0	112.4
144	P	46.6	Very low	36.9	Very low	128 Å²	128	125.5 Å²	125.5	83%	0.831	79%	0.79	S	S	*	*			trans	-97.9	144.7	173.5	35.7	-31.5	0	0	0	112.4
145	T	35	Very low	37.1	Very low	122 Å²	122	128.7 Å²	128.7	75%	0.748	78%	0.783	S	S	*	*			trans	-113.4	138.7	-177.4	40.5	0	0	0	0	113
146	S	34.3	Very low	37.2	Very low	117 Å²	117	123.1 Å²	123.1	82%	0.818	77%	0.774	S	S	*	*			trans	62.7	151.3	155.3	72.2	0	0	0	0	117.1
147	S	36.6	Very low	37.2	Very low	95 Å²	95	123.4 Å²	123.4	66%	0.664	77%	0.772	S	S	*	*			cis	-168.9	157	29.1	47.8	0	0	0	0	110.8
148	T	36.7	Very low	37.3	Very low	131 Å²	131	125.3 Å²	125.3	80%	0.804	78%	0.78	S	S	*	*			trans	49.4	130.4	155.1	54.9	0	0	0	0	119.3
149	S	40	Very low	37.2	Very low	116 Å²	116	119.5 Å²	119.5	81%	0.811	77%	0.772	S	S	*	*			cis	-168.4	-169.8	4.7	57.3	0	0	0	0	107.3
150	S	39.7	Very low	37	Very low	105 Å²	105	119.9 Å²	119.9	73%	0.734	77%	0.772	S	S	*	*			cis	-151.6	-150.4	14.1	66.9	0	0	0	0	112.5
151	T	38.7	Very low	36.8	Very low	127 Å²	127	119.7 Å²	119.7	78%	0.779	77%	0.769	S	S	*	*			trans	-140.6	177.2	-171.4	25.2	0	0	0	0	110.4
152	P	44.6	Very low	36.4	Very low	108 Å²	108	121.2 Å²	121.2	70%	0.701	77%	0.767	S	S	*	*			cis	-143.3	-171.7	-22.5	34.7	-13.8	0	0	0	115.8
153	S	38.1	Very low	36.1	Very low	111 Å²	111	122.2 Å²	122.2	78%	0.776	76%	0.759	S	S	*	*			trans	91.5	145.8	136.4	-74.2	0	0	0	0	121.4
154	V	38.8	Very low	36.3	Very low	144 Å²	144	125.2 Å²	125.2	87%	0.873	76%	0.76	S	S	*	*			trans	132.9	140.4	173.9	-159.3	0	0	0	0	109.4
155	K	36	Very low	35.7	Very low	178 Å²	178	126 Å²	126	77%	0.774	75%	0.751	S	S	*	*			trans	-146.7	140.8	-130	-139.9	-175.6	-171.6	-177	0	114.6
156	T	35.6	Very low	35.6	Very low	113 Å²	113	127.6 Å²	127.6	69%	0.693	75%	0.75	S	S	*	*			trans	79.3	133.1	147.7	-4	0	0	0	0	122.5
157	T	34.6	Very low	35.6	Very low	118 Å²	118	127.3 Å²	127.3	72%	0.724	75%	0.745	S	S	*	*			trans	87.3	123.5	141.3	19.5	0	0	0	0	124.4
158	T	35.2	Very low	35.5	Very low	130 Å²	130	129.1 Å²	129.1	80%	0.798	75%	0.751	S	S	*	*			trans	68.8	98.3	143.7	40.6	0	0	0	0	122.7
159	S	32.7	Very low	35.5	Very low	101 Å²	101	130.7 Å²	130.7	71%	0.706	75%	0.749	S	S	*	*				100.3	130.8	106.8	-158.5	0	0	0	0	120.7
160	T	32	Very low	35.2	Very low	123 Å²	123	135.2 Å²	135.2	76%	0.755	75%	0.749	S	S	*	*			trans	78.7	135.6	150.8	10	0	0	0	0	120.7
161	T	32.1	Very low	35	Very low	120 Å²	120	134.9 Å²	134.9	74%	0.736	75%	0.746	S	S	*	*			trans	84.8	109	153.6	-44.7	0	0	0	0	119
162	V	28.4	Very low	34.9	Very low	132 Å²	132	137.9 Å²	137.9	80%	0.8	75%	0.749	S	S	*	*			trans	-41.4	131.1	166.4	179	0	0	0	0	114.2
163	H	31.5	Very low	34.5	Very low	137 Å²	137	138.7 Å²	138.7	63%	0.634	75%	0.754	S	S	*	*			trans	-163.1	120.5	156.1	-103	-81.7	0	0	0	111.4	F165	H163-F165 AromaticContact CE1-CE2 3.78Å; H163-F165 AromaticContact ND1-CD2 3.8Å; H163-F165 AromaticContact ND1-CE2 3.42Å; H163-F165 WeakPolarHBondContact ND1-CE2 3.04Å
164	H	35.4	Very low	34.3	Very low	173 Å²	173	141.4 Å²	141.4	80%	0.801	76%	0.759	S	S	*	*			trans	174.5	127.6	132.7	-95.6	75.8	0	0	0	107.7
165	F	33.3	Very low	34	Very low	146 Å²	146	142 Å²	142	64%	0.64	76%	0.757	S	S	*	*			cis	72.6	130.8	40.8	-72.4	-109.4	0	0	0	113.9	H163	H163-F165 AromaticContact CE1-CE2 3.78Å; H163-F165 AromaticContact ND1-CD2 3.8Å; H163-F165 AromaticContact ND1-CE2 3.42Å; H163-F165 WeakPolarHBondContact ND1-CE2 3.04Å
166	H	32.5	Very low	33.9	Very low	155 Å²	155	139.2 Å²	139.2	72%	0.718	76%	0.76	S	S	*	*			cis	-166.1	151.6	-13.7	-150.8	-94.9	0	0	0	110
167	P	35	Very low	33.8	Very low	111 Å²	111	142.3 Å²	142.3	72%	0.721	76%	0.764	S	S	*	*			trans	-93	173.6	-178.8	36.1	-38.1	0	0	0	115.8
168	V	34.9	Very low	33.6	Very low	132 Å²	132	146.7 Å²	146.7	80%	0.8	77%	0.773	S	S	*	*			trans	-134	108	178.6	176.2	0	0	0	0	107.5
169	H	35.7	Very low	33.4	Very low	165 Å²	165	143.8 Å²	143.8	76%	0.764	77%	0.769	S	S	*	*				67.2	136	91.9	-91	-14.3	0	0	0	115.3
170	R	34.2	Very low	33.1	Very low	210 Å²	210	147.2 Å²	147.2	79%	0.792	78%	0.779	S	S	*	*			cis	-172.8	150.3	2.2	-173.6	-179.8	-169.5	178.9	5.6	112.7
171	S	36.3	Very low	33	Very low	98 Å²	98	147.6 Å²	147.6	69%	0.685	78%	0.78	S	S	*	*			trans	116.3	138.6	153.8	-55	0	0	0	0	115
172	K	35.5	Very low	32.8	Very low	191 Å²	191	148.1 Å²	148.1	83%	0.83	78%	0.775	S	S	*	*			cis	-158.7	137	-14	-103.9	178.6	-174.3	178.4	0	107.1
173	P	36	Very low	32.9	Very low	124 Å²	124	149.6 Å²	149.6	81%	0.805	77%	0.77	S	S	*	*			trans	-94	168.2	179.9	37.5	-35.6	0	0	0	113.7
174	L	35.5	Very low	32.8	Very low	169 Å²	169	149.4 Å²	149.4	89%	0.885	77%	0.773	S	S	*	*			trans	-147.3	140.3	159.7	-112.5	168.1	0	0	0	108.9
175	D	32	Very low	32.6	Very low	156 Å²	156	146 Å²	146	83%	0.834	77%	0.769	S	S	*	*			trans	-87.6	144.3	-164.7	-48.7	-101.6	0	0	0	115
176	S	34	Very low	32.5	Very low	119 Å²	119	143.3 Å²	143.3	83%	0.832	77%	0.768	S	S	*	*			trans	-151.3	171.3	136.6	97.8	0	0	0	0	110.6
177	K	32.3	Very low	32.4	Very low	178 Å²	178	142.5 Å²	142.5	77%	0.774	77%	0.774	S	S	*	*			trans	-107	-177.7	-166	-68.5	179.2	177.6	176.6	0	112.6
178	F	30.8	Very low	32.3	Very low	210 Å²	210	142.2 Å²	142.2	92%	0.921	78%	0.781	S	S	*	*			trans	82.1	149.4	172.4	-55.4	-81.5	0	0	0	114.7
179	G	30.5	Very low	32.1	Very low	70 Å²	70	141.8 Å²	141.8	72%	0.722	78%	0.783	S	S	*	*			cis	169.7	139.7	-7.6	0	0	0	0	0	112.3
180	L	27.1	Very low	32	Very low	173 Å²	173	138.8 Å²	138.8	91%	0.906	79%	0.787	S	S	*	*			trans	-70.4	146.2	173.9	-160.8	97.1	0	0	0	110.6
181	V	30.5	Very low	31.7	Very low	130 Å²	130	134.6 Å²	134.6	79%	0.788	79%	0.785	S	S	*	*			trans	155.5	153.5	141.4	158.8	0	0	0	0	111.5
182	E	26.8	Very low	31.6	Very low	132 Å²	132	137.7 Å²	137.7	62%	0.617	79%	0.792	S	S	*	*			trans	-71	-178	177.7	-52.3	168.5	93.1	0	0	114.4	R63	R63-E182 IonicContact CZ-OE1 3.21Å; R63-E182 IonicContact NH1-OE1 2.78Å; R63-E182 PolarHBondContact NH1-OE1 2.93Å; R63-E182 IonicContact NH2-OE1 2.7Å; R63-E182 PolarHBondContact NH2-OE1 3.41Å
183	K	31.5	Very low	31.2	Very low	162 Å²	162	133.5 Å²	133.5	70%	0.704	78%	0.783	S	S	*	*			trans	90	95.5	139	-156.5	176.2	-173.8	177.8	0	119.1
184	I	29.4	Very low	31.1	Very low	134 Å²	134	133.5 Å²	133.5	69%	0.687	78%	0.783	S	S	*	*				15.6	116.9	125.9	-50.7	167.8	0	0	0	116.2
185	S	31.1	Very low	31	Very low	102 Å²	102	131 Å²	131	71%	0.713	78%	0.775	S	S	*	*				-175.4	134.9	124.8	-159.4	0	0	0	0	114.4
186	S	30.3	Very low	31.2	Very low	89 Å²	89	128.3 Å²	128.3	62%	0.622	77%	0.768	S	S	*	*			trans	48.3	130.5	140.1	62	0	0	0	0	124.4
187	T	30.8	Very low	30.9	Very low	137 Å²	137	128.9 Å²	128.9	84%	0.84	77%	0.767	S	S	*	*			trans	67.2	119.4	138.3	56.2	0	0	0	0	122.5
188	A	34.1	Very low	31.1	Very low	105 Å²	105	128.5 Å²	128.5	87%	0.868	77%	0.772	S	S	*	*			trans	-157.6	128	135.8	0	0	0	0	0	110.2
189	S	29	Very low	31.1	Very low	123 Å²	123	123.4 Å²	123.4	86%	0.86	76%	0.762	S	S	*	*			trans	-86.3	156	-172.1	-41.9	0	0	0	0	114.2
190	A	34.8	Very low	31.2	Very low	102 Å²	102	126.3 Å²	126.3	84%	0.843	77%	0.768	S	S	*	*			trans	-142.3	91.7	167.5	0	0	0	0	0	111.5
191	T	27.2	Very low	31.6	Very low	122 Å²	122	123.8 Å²	123.8	75%	0.748	77%	0.765	S	S	*	*			trans	-71.4	125.7	-177.3	-49.5	0	0	0	0	112.9
192	I	34.9	Very low	31.6	Very low	163 Å²	163	122.6 Å²	122.6	84%	0.836	76%	0.762	S	S	*	*			trans	-137.5	116	155.1	-58.5	-176.5	0	0	0	109.3
193	T	26.7	Very low	31.9	Very low	103 Å²	103	122.7 Å²	122.7	63%	0.632	77%	0.772	S	S	*	*			trans	-84.7	147.9	179.5	-31.2	0	0	0	0	112.2
194	P	34.5	Very low	31.9	Very low	124 Å²	124	120.1 Å²	120.1	81%	0.805	77%	0.77	S	S	*	*			trans	-119.5	112.4	151.3	33.4	-21.4	0	0	0	111.3
195	T	33	Very low	32.2	Very low	116 Å²	116	120.3 Å²	120.3	71%	0.712	78%	0.778	S	S	*	*			trans	-98.6	160.9	178.6	-45.3	0	0	0	0	111.6
196	S	35	Very low	32.2	Very low	101 Å²	101	122 Å²	122	71%	0.706	78%	0.779	S	S	*	*			trans	68.7	90.1	164	56.8	0	0	0	0	118.7
197	T	29.1	Very low	32.5	Very low	131 Å²	131	125.9 Å²	125.9	80%	0.804	79%	0.791	S	S	*	*				29	120.5	105.9	-40	0	0	0	0	118.5
198	I	35.3	Very low	32.6	Very low	170 Å²	170	125.1 Å²	125.1	87%	0.872	79%	0.786	S	S	*	*			trans	-158.7	142.4	138.6	-104.4	151.9	0	0	0	110
199	S	32.2	Very low	32.7	Very low	102 Å²	102	125.8 Å²	125.8	71%	0.713	78%	0.781	S	S	*	*			trans	-75.8	154.5	-172	-47.9	0	0	0	0	114.1
200	P	32.2	Very low	32.9	Very low	132 Å²	132	125.9 Å²	125.9	86%	0.857	78%	0.782	S	S	*	*			trans	-75.4	149.9	178.6	31.7	-36.2	0	0	0	112.7
201	S	35.3	Very low	32.9	Very low	119 Å²	119	127.4 Å²	127.4	83%	0.832	78%	0.781	S	S	*	*			trans	-147.8	147.7	159.2	57.5	0	0	0	0	111.6
202	S	31.2	Very low	33.3	Very low	105 Å²	105	129.7 Å²	129.7	73%	0.734	79%	0.788	S	S	*	*			trans	-66.7	159.3	-174	55	0	0	0	0	114.2
203	T	33	Very low	33.5	Very low	134 Å²	134	126.9 Å²	126.9	82%	0.822	78%	0.78	S	S	*	*				-167.8	135.1	106.3	-70.5	0	0	0	0	112.5
204	T	30.7	Very low	34	Very low	108 Å²	108	127.9 Å²	127.9	66%	0.663	78%	0.782	S	S	*	*			trans	-55.6	146.8	173.3	-33.2	0	0	0	0	115.1
205	T	35.5	Very low	34.2	Very low	139 Å²	139	129.8 Å²	129.8	85%	0.853	78%	0.777	S	S	*	*				-171.4	152.2	124	16.4	0	0	0	0	112.9
206	D	30.6	Very low	34.3	Very low	136 Å²	136	131.7 Å²	131.7	73%	0.727	78%	0.783	S	S	*	*			trans	-80.8	168.4	-173.7	-43.1	-103.1	0	0	0	114.2
207	I	37.5	Very low	34.3	Very low	171 Å²	171	135.2 Å²	135.2	88%	0.877	79%	0.792	S	S	*	*				-172.2	146.8	114.5	-94.9	157	0	0	0	113.1
208	T	32.7	Very low	34.5	Very low	122 Å²	122	134.5 Å²	134.5	75%	0.748	79%	0.787	S	S	*	*			trans	-66.7	149.1	-171.6	-39.1	0	0	0	0	115.5
209	P	35.4	Very low	34.2	Very low	118 Å²	118	135.1 Å²	135.1	77%	0.766	79%	0.787	S	S	*	*			trans	-79.9	173.1	-179	33	-39.2	0	0	0	115.2
210	S	34.4	Very low	34.4	Very low	126 Å²	126	140.4 Å²	140.4	88%	0.881	80%	0.797	S	S	*	*			trans	-151.3	145.9	171.3	-78.1	0	0	0	0	114.3
211	V	35.3	Very low	34.3	Very low	133 Å²	133	145.6 Å²	145.6	81%	0.806	80%	0.799	S	S	*	*			trans	-87.2	149.4	-167.5	172.2	0	0	0	0	113.2
212	L	35.6	Very low	34.2	Very low	171 Å²	171	146.6 Å²	146.6	90%	0.895	80%	0.795	S	S	*	*			trans	-178.7	143.1	133.4	-96.3	160.1	0	0	0	112.6
213	P	38.7	Very low	34.5	Very low	103 Å²	103	147.7 Å²	147.7	67%	0.669	80%	0.799	S	S	*	*			trans	-114.8	166	-176.8	41.4	-32.7	0	0	0	114.8
214	D	36	Very low	34.4	Very low	125 Å²	125	146.1 Å²	146.1	67%	0.668	79%	0.793	S	S	*	*			trans	-173.7	154.3	138.4	-124.9	-32.3	0	0	0	117.7
215	K	40	Very low	34.9	Very low	163 Å²	163	149 Å²	149	71%	0.709	80%	0.803	S	S	*	*			trans	60.6	102.6	150.4	-73.9	145.1	-168.2	150.2	0	124.2
216	N	33.8	Very low	34.6	Very low	157 Å²	157	149.7 Å²	149.7	84%	0.84	80%	0.801	S	S	*	*				19.4	121.3	129.1	-59.8	-7.5	0	0	0	121.3
217	I	35.8	Very low	35	Very low	174 Å²	174	149 Å²	149	89%	0.892	80%	0.802	S	S	*	*			trans	-136.1	153.5	145.8	-65.6	-173.5	0	0	0	108.8
218	V	34.4	Very low	34.9	Very low	117 Å²	117	146 Å²	146	71%	0.709	80%	0.796	S	S	*	*			trans	-117.5	152.6	-168.4	169.1	0	0	0	0	112.2
219	E	29.1	Very low	34.9	Very low	183 Å²	183	148.7 Å²	148.7	86%	0.855	80%	0.8	S	S	*	*			trans	64.1	126.1	163.8	-84	175.4	155.8	0	0	121.2
220	K	36.1	Very low	35.1	Very low	213 Å²	213	151.4 Å²	151.4	93%	0.926	80%	0.8	S	S	*	*				-157	143.6	127.9	-110.2	165.8	-173.8	175.5	0	111.3
221	R	30.2	Very low	35.3	Very low	240 Å²	240	151.4 Å²	151.4	91%	0.906	79%	0.79	S	S	*	*			trans	-145.7	-175.3	176.6	-144.5	-176.5	-165.3	-163	5.4	108.2
222	L	32.4	Very low	35.4	Very low	141 Å²	141	152.3 Å²	152.3	74%	0.738	79%	0.789	S	S	*	*			trans	73.1	154.3	177.8	-74.5	158.8	0	0	0	113.5
223	P	37	Very low	35.2	Very low	127 Å²	127	151 Å²	151	83%	0.825	78%	0.782	S	S	*	*			cis	-113	163.7	30.5	40.6	-32.4	0	0	0	117.8
224	S	32.5	Very low	35.1	Very low	101 Å²	101	153.2 Å²	153.2	71%	0.706	79%	0.788	S	S	*	*			trans	-106.6	161.9	164.2	-56.4	0	0	0	0	109.9
225	I	39.6	Very low	35	Very low	170 Å²	170	151.3 Å²	151.3	87%	0.872	79%	0.789	S	S	*	*			trans	-104.2	145.4	174.7	-64.2	174.2	0	0	0	109
226	D	29.9	Very low	34.6	Very low	152 Å²	152	152.9 Å²	152.9	81%	0.813	80%	0.796	S	S	*	*			trans	-136.8	134.7	-165.4	-177.9	17.2	0	0	0	111.3
227	V	38.7	Very low	34.4	Very low	122 Å²	122	150 Å²	150	74%	0.739	79%	0.789	S	S	*	*			trans	-147.9	91.9	-178.5	-172.3	0	0	0	0	113.1
228	S	35.4	Very low	34.4	Very low	107 Å²	107	148.8 Å²	148.8	75%	0.748	78%	0.784	S	S	*	*			trans	58.5	128.2	149.8	68.6	0	0	0	0	122.2
229	E	33.7	Very low	34.2	Very low	180 Å²	180	149 Å²	149	84%	0.841	78%	0.781	S	S	*	*			trans	-71.1	158.8	171.4	-46.2	159.6	111.1	0	0	114
230	K	39.4	Very low	34.3	Very low	175 Å²	175	146.7 Å²	146.7	76%	0.761	78%	0.78	S	S	*	*				-175.6	150.5	110.6	-104.7	175.3	-177.6	176.3	0	118.8
231	D	37.4	Very low	34.1	Very low	126 Å²	126	145 Å²	145	67%	0.674	78%	0.775	S	S	*	*			trans	77.8	106.4	145	-62.5	-19.7	0	0	0	123.9
232	I	37.9	Very low	34.1	Very low	152 Å²	152	138.4 Å²	138.4	78%	0.779	77%	0.765	S	S	*	*			trans	82.5	84.5	131	-52.8	165.2	0	0	0	120.7
233	D	32.1	Very low	34.2	Very low	142 Å²	142	139.4 Å²	139.4	76%	0.759	77%	0.772	S	S	*	*				45.7	150.5	103.3	-128.4	-16.6	0	0	0	124.7
234	L	35.2	Very low	33.8	Very low	151 Å²	151	140.7 Å²	140.7	79%	0.791	76%	0.764	S	S	*	*			trans	67.6	148.4	169.4	-91.9	68.3	0	0	0	119
235	A	34.4	Very low	33.9	Very low	84 Å²	84	141.7 Å²	141.7	69%	0.694	77%	0.768	S	S	*	*			cis	-154	141.7	-2.4	0	0	0	0	0	115.7
236	K	32.7	Very low	33.4	Very low	196 Å²	196	140.5 Å²	140.5	85%	0.852	76%	0.759	S	S	*	*			trans	15	131.3	141.1	-62.8	-179.7	176.7	176.3	0	124.3
237	S	29.6	Very low	33.3	Very low	98 Å²	98	142.5 Å²	142.5	69%	0.685	76%	0.76	S	S	*	*				59.1	117.9	128.5	70.4	0	0	0	0	123.7
238	D	35	Very low	32.7	Very low	148 Å²	148	143.6 Å²	143.6	79%	0.791	76%	0.762	S	S	*	*				-177.9	167.6	122.7	-95.1	-26.2	0	0	0	108.1
239	N	31.4	Very low	32.5	Very low	122 Å²	122	145 Å²	145	65%	0.652	76%	0.761	S	S	*	*			cis	179.3	141.6	-47.1	-114.3	-43.4	0	0	0	106.6
240	T	30.2	Very low	32	Very low	133 Å²	133	141.3 Å²	141.3	82%	0.816	76%	0.755	S	S	*	*			trans	70.6	157.5	154.7	46.6	0	0	0	0	124.1
241	E	32.5	Very low	31.7	Very low	179 Å²	179	140.2 Å²	140.2	84%	0.836	76%	0.756	S	S	*	*			trans	78.1	88.7	166.4	-63.8	-168.8	138.5	0	0	122.1
242	S	30.1	Very low	31.2	Very low	100 Å²	100	142.3 Å²	142.3	70%	0.699	76%	0.761	S	S	*	*				12.2	137	129.3	53.5	0	0	0	0	121.7
243	D	34.3	Very low	30.9	Very low	162 Å²	162	142.5 Å²	142.5	87%	0.866	76%	0.764	S	S	*	*				-156.9	164.7	100.9	-127.4	-24.2	0	0	0	114.8
244	K	28.1	Very low	30.8	Very low	155 Å²	155	141 Å²	141	67%	0.674	76%	0.76	S	S	*	*			trans	-140.2	151.2	178	-106	-167	177.8	-170.7	0	111.5	H246	K244-H246 PolarHBondContact NZ-NE2 3.08Å; K244-H246 VanDerWaalsContact NZ-NE2 3.14Å
245	P	34.3	Very low	30.6	Very low	122 Å²	122	141.3 Å²	141.3	79%	0.792	76%	0.762	S	S	*	*				-136	149.7	126.9	36	-25.9	0	0	0	114.2
246	H	28.7	Very low	30.2	Very low	144 Å²	144	142.6 Å²	142.6	67%	0.667	76%	0.761	S	S	*	*			trans	-85	153.1	164.5	-79.9	-105.1	0	0	0	110.4	K244	K244-H246 PolarHBondContact NZ-NE2 3.08Å; K244-H246 VanDerWaalsContact NZ-NE2 3.14Å
247	F	28.1	Very low	30.2	Very low	194 Å²	194	140 Å²	140	85%	0.851	76%	0.762	S	S	*	*			trans	-126	132.1	150.9	-107.5	-86.9	0	0	0	109.4
248	N	26.2	Very low	30.2	Very low	146 Å²	146	145.5 Å²	145.5	78%	0.781	77%	0.773	S	S	*	*			trans	-150.5	128.3	178.3	-168.8	-1.9	0	0	0	106.9
249	L	30.5	Very low	30.2	Very low	137 Å²	137	143.8 Å²	143.8	72%	0.717	77%	0.773	S	S	*	*			trans	-143.9	108.2	-173.8	-107.3	164.1	0	0	0	110
250	S	25	Very low	30.2	Very low	101 Å²	101	148.2 Å²	148.2	71%	0.706	78%	0.781	S	S	*	*			trans	-105.2	135.4	168.5	-177.8	0	0	0	0	108.6
251	I	32.7	Very low	30.4	Very low	153 Å²	153	146.9 Å²	146.9	79%	0.785	77%	0.769	S	S	*	*			trans	-134.1	119.4	165.6	-62.6	-178	0	0	0	107.1
252	Q	26.7	Very low	30.3	Very low	169 Å²	169	143.9 Å²	143.9	79%	0.79	76%	0.758	S	S	*	*			trans	-88.3	149.4	162.6	-61.3	171.8	-43.8	0	0	107.7
253	D	31.9	Very low	30.5	Very low	157 Å²	157	145.6 Å²	145.6	84%	0.84	76%	0.758	S	S	*	*				-164.1	171.5	119.1	-121.3	-41	0	0	0	114.6
254	T	29	Very low	30.3	Very low	110 Å²	110	144.5 Å²	144.5	68%	0.675	75%	0.752	S	S	*	*			trans	-100.5	171.1	-157.7	48.7	0	0	0	0	116.2
255	L	31.4	Very low	30.3	Very low	158 Å²	158	143 Å²	143	83%	0.827	76%	0.756	S	S	*	*			trans	140.8	87.2	145	-74	164.8	0	0	0	112.2
256	T	27	Very low	30.1	Very low	111 Å²	111	142.1 Å²	142.1	68%	0.681	75%	0.752	S	S	*	*				65.4	104.8	73.9	70.1	0	0	0	0	118.5
257	T	31.4	Very low	30.1	Very low	141 Å²	141	142.7 Å²	142.7	87%	0.865	75%	0.754	S	S	*	*			trans	169	125.6	133.8	36.2	0	0	0	0	108.5
258	K	30.4	Very low	30.2	Very low	213 Å²	213	139.2 Å²	139.2	93%	0.926	75%	0.745	S	S	*	*			cis	86.8	80.4	40.4	-87.3	-168.2	172.5	177.3	0	117.8
259	S	33.5	Very low	30.4	Very low	113 Å²	113	138.8 Å²	138.8	79%	0.79	74%	0.742	S	S	*	*				-167.7	148.6	129.3	-153.6	0	0	0	0	108.7
260	R	31.4	Very low	30.3	Very low	215 Å²	215	139.8 Å²	139.8	81%	0.811	75%	0.747	S	S	*	*			cis	98.1	136.9	2.3	-148.5	-149.8	155.2	140.8	5.2	117
261	N	34.8	Very low	30.6	Very low	105 Å²	105	140.7 Å²	140.7	56%	0.561	75%	0.754	S	S	*	*			trans	71.7	145	177.5	-65.7	45.9	0	0	0	116
262	D	31.7	Very low	30.4	Very low	116 Å²	116	138.9 Å²	138.9	62%	0.62	76%	0.755	S	S	*	*			cis	-167.1	152.6	-11.1	-105.3	-10.6	0	0	0	113.2
263	I	33.1	Very low	30.6	Very low	136 Å²	136	136 Å²	136	70%	0.697	75%	0.753	S	S	*	*			trans	71.1	126.5	138.3	-66.7	169.2	0	0	0	123
264	N	30.7	Very low	30.7	Very low	139 Å²	139	136 Å²	136	74%	0.743	75%	0.748	S	S	*	*			trans	72.7	110.7	148.7	-75.7	2.7	0	0	0	126
265	V	28.7	Very low	30.8	Very low	124 Å²	124	138.6 Å²	138.6	75%	0.752	75%	0.75	S	S	*	*				66.3	143.5	105.9	171.5	0	0	0	0	121.9
266	C	28.5	Very low	30.7	Very low	103 Å²	103	137.2 Å²	137.2	70%	0.696	74%	0.744	S	S	*	*			trans	82.5	96.2	166.5	-81.5	0	0	0	0	120.1
267	E	29	Very low	31	Very low	155 Å²	155	137.1 Å²	137.1	72%	0.724	75%	0.747	S	S	*	*				78.2	125.8	116.3	-83.5	-175.2	-134.2	0	0	123.7
268	N	30.5	Very low	31.1	Very low	122 Å²	122	137.6 Å²	137.6	65%	0.652	74%	0.744	S	S	*	*			trans	83.4	134.5	140.6	-58.6	-26.1	0	0	0	121.8
269	N	31.4	Very low	31	Very low	136 Å²	136	137.6 Å²	137.6	73%	0.727	74%	0.738	S	S	*	*			trans	76.8	100.2	154.9	-60.2	-31	0	0	0	120.8
270	L	28.5	Very low	30.9	Very low	158 Å²	158	136.3 Å²	136.3	83%	0.827	73%	0.734	S	S	*	*				53.9	98.5	122.3	-64.4	160.3	0	0	0	118.4
271	S	30.4	Very low	30.8	Very low	120 Å²	120	133.2 Å²	133.2	84%	0.839	73%	0.729	S	S	*	*				174.6	159.5	99.9	47.4	0	0	0	0	114.1
272	S	28	Very low	30.6	Very low	116 Å²	116	139.4 Å²	139.4	81%	0.811	75%	0.746	S	S	*	*			trans	-31.1	131.7	176.8	52.2	0	0	0	0	119.5
273	S	31.7	Very low	30.4	Very low	108 Å²	108	141 Å²	141	76%	0.755	75%	0.754	S	S	*	*			trans	-165	125.4	133	-162.9	0	0	0	0	114.2
274	H	33.5	Very low	30.3	Very low	158 Å²	158	139.2 Å²	139.2	73%	0.731	75%	0.754	S	S	*	*			trans	29.1	131.3	145.6	-75.8	-64.5	0	0	0	124.9
275	K	31.7	Very low	30.3	Very low	164 Å²	164	142.2 Å²	142.2	71%	0.713	76%	0.764	S	S	*	*				93.5	127.1	125	-78.2	179.7	175.8	-167.6	0	122.6
276	D	29.8	Very low	30.5	Very low	129 Å²	129	141.3 Å²	141.3	69%	0.69	76%	0.763	S	S	*	*			trans	55.9	100.8	130.1	-45.2	-21.1	0	0	0	120.6
277	S	32.8	Very low	30.5	Very low	108 Å²	108	142.4 Å²	142.4	76%	0.755	77%	0.772	S	S	*	*				-178.7	137.9	126	-85	0	0	0	0	115.4
278	L	32.8	Very low	30.7	Very low	152 Å²	152	141.2 Å²	141.2	80%	0.796	78%	0.775	S	S	*	*			trans	50.1	117.6	137.2	-55.7	173.3	0	0	0	119.3
279	R	28.3	Very low	30.8	Very low	213 Å²	213	144.1 Å²	144.1	80%	0.804	78%	0.784	S	S	*	*				85	98.1	62.4	-175.7	-162.7	166.7	162.2	0.7	114.3	E281	R279-E281 IonicContact NE-OE1 2.72Å; R279-E281 IonicContact NH2-OE1 2.68Å; R279-E281 PolarHBondContact NH2-OE1 3.49Å
280	A	32.4	Very low	30.5	Very low	86 Å²	86	144.5 Å²	144.5	71%	0.711	78%	0.782	S	S	*	*			trans	-167.5	116.4	145.2	0	0	0	0	0	105.5
281	E	29.4	Very low	30.8	Very low	149 Å²	149	142.8 Å²	142.8	70%	0.696	78%	0.78	S	S	*	*				64.8	98.7	84	-70.7	168.5	-152.8	0	0	113	R279	R279-E281 IonicContact NE-OE1 2.72Å; R279-E281 IonicContact NH2-OE1 2.68Å; R279-E281 PolarHBondContact NH2-OE1 3.49Å
282	Y	30.8	Very low	30.8	Very low	236 Å²	236	145.2 Å²	145.2	93%	0.925	78%	0.778	S	S	*	*				-150.5	134.3	129.4	-110.8	-76.4	0	0	0	109.1
283	N	27.5	Very low	31.1	Very low	148 Å²	148	146.8 Å²	146.8	79%	0.791	78%	0.783	S	S	*	*			trans	-155.2	163.1	179.9	-160.5	11.6	0	0	0	107.2
284	S	29.4	Very low	31	Very low	100 Å²	100	145.8 Å²	145.8	70%	0.699	78%	0.781	S	S	*	*			trans	50.9	116.3	178.4	60.4	0	0	0	0	117.2
285	E	31.2	Very low	31	Very low	201 Å²	201	146.1 Å²	146.1	94%	0.939	79%	0.788	S	S	*	*			trans	-133.8	138.7	136.2	-135	150.5	-142.3	0	0	107.7
286	S	33.8	Very low	30.9	Very low	106 Å²	106	145.5 Å²	145.5	74%	0.741	79%	0.793	S	S	*	*			trans	-152.2	131.6	-173.4	59.1	0	0	0	0	109.2
287	S	26.9	Very low	31.2	Very low	126 Å²	126	147.5 Å²	147.5	88%	0.881	80%	0.802	S	S	*	*			trans	-38.6	126.8	-167.5	-43.2	0	0	0	0	116.8
288	V	34.1	Very low	31	Very low	130 Å²	130	146.5 Å²	146.5	79%	0.788	80%	0.8	S	S	*	*			trans	-144.7	128	151.8	-176.6	0	0	0	0	108.8
289	E	32.4	Very low	31	Very low	182 Å²	182	149.5 Å²	149.5	85%	0.85	80%	0.802	S	S	*	*			trans	-68.4	150	-174.9	-59	163	107.9	0	0	114.1
290	Q	25.8	Very low	31.2	Very low	145 Å²	145	146.6 Å²	146.6	68%	0.678	80%	0.798	S	S	*	*			trans	-79.2	152.2	164.8	-61.7	-174.6	21.4	0	0	112.2
291	P	33.5	Very low	31	Very low	122 Å²	122	148.8 Å²	148.8	79%	0.792	80%	0.797	S	S	*	*			trans	-124.5	142.4	140.3	35.3	-28.1	0	0	0	113
292	H	31.6	Very low	31.2	Very low	170 Å²	170	151.9 Å²	151.9	79%	0.787	81%	0.809	S	S	*	*			trans	-67	153.4	-174.7	-40.7	-78	0	0	0	114.7
293	T	32.8	Very low	31.2	Very low	150 Å²	150	145.7 Å²	145.7	92%	0.92	80%	0.8	S	S	*	*				-169.1	156.7	118.9	16.1	0	0	0	0	111.5
294	A	30.7	Very low	31.4	Very low	86 Å²	86	147.3 Å²	147.3	71%	0.711	80%	0.8	S	S	*	*			trans	-104.5	164.2	-172.4	0	0	0	0	0	113.5
295	N	34.2	Very low	31.6	Very low	165 Å²	165	150.6 Å²	150.6	88%	0.882	80%	0.804	S	S	*	*			trans	-166.9	143.2	137.3	-97.1	-47.8	0	0	0	111.6
296	D	28.4	Very low	31.7	Very low	151 Å²	151	148.5 Å²	148.5	81%	0.807	79%	0.794	S	S	*	*			trans	-78.2	165.2	178.6	-61.4	-82.8	0	0	0	114.1
297	I	35.8	Very low	31.6	Very low	171 Å²	171	150.5 Å²	150.5	88%	0.877	80%	0.797	S	S	*	*			trans	-165.8	136.7	130.6	-96.7	148.4	0	0	0	108.8
298	A	29.4	Very low	31.9	Very low	87 Å²	87	147.9 Å²	147.9	72%	0.719	79%	0.79	S	S	*	*			trans	-128.4	157	-179.1	0	0	0	0	0	111.7
299	Y	32.5	Very low	31.8	Very low	215 Å²	215	148.4 Å²	148.4	84%	0.843	79%	0.793	S	S	*	*			trans	-155.8	96.8	162.1	-101.7	-61.1	0	0	0	115.7
300	E	32.5	Very low	31.8	Very low	152 Å²	152	146.5 Å²	146.5	71%	0.71	79%	0.787	S	S	*	*			trans	34.8	119	136.4	-65.8	-150.7	83.6	0	0	125.5
301	N	29.3	Very low	32	Very low	132 Å²	132	144.8 Å²	144.8	71%	0.706	79%	0.787	S	S	*	*				58.4	124.3	114.6	-61.1	-38.4	0	0	0	123.9
302	K	33.2	Very low	31.7	Very low	215 Å²	215	146 Å²	146	94%	0.935	79%	0.785	S	S	*	*				-163.8	165.6	120.8	-108.3	153	-170.6	160.4	0	114
303	S	29.4	Very low	31.6	Very low	106 Å²	106	143.4 Å²	143.4	74%	0.741	79%	0.785	S	S	*	*			trans	-135.1	160.9	-151.3	55.7	0	0	0	0	116.6
304	K	33.7	Very low	31.5	Very low	182 Å²	182	141.7 Å²	141.7	79%	0.791	78%	0.779	S	S	*	*			trans	177.4	124.9	145.5	-98.4	162.7	-178.4	-173.4	0	110.7
305	Q	31.8	Very low	31.3	Very low	169 Å²	169	146.6 Å²	146.6	79%	0.79	78%	0.784	S	S	*	*				63.8	126.1	98	-86.9	-180	-46.9	0	0	113.7
306	E	33.2	Very low	31.2	Very low	157 Å²	157	145.4 Å²	145.4	73%	0.734	78%	0.782	S	S	*	*			cis	-153	160.7	33.2	-74.4	-168.3	85.1	0	0	116.7
307	N	33.1	Very low	31.2	Very low	148 Å²	148	144.3 Å²	144.3	79%	0.791	78%	0.781	S	S	*	*			trans	51.6	116.6	145.6	-55.3	-25.6	0	0	0	123.7
308	G	32.7	Very low	31.5	Very low	71 Å²	71	141.7 Å²	141.7	73%	0.732	78%	0.775	S	S	*	*			trans	153.7	98.5	147.3	0	0	0	0	0	119
309	V	31.8	Very low	31.6	Very low	140 Å²	140	145.3 Å²	145.3	85%	0.848	78%	0.783	S	S	*	*			trans	53.8	124.1	140.1	176	0	0	0	0	119.1
310	I	32	Very low	31.7	Very low	142 Å²	142	139.9 Å²	139.9	73%	0.728	78%	0.776	S	S	*	*			cis	-166.8	-173.3	-3.8	-152.1	162.8	0	0	0	111.9
311	T	30.9	Very low	31.8	Very low	110 Å²	110	140.9 Å²	140.9	68%	0.675	78%	0.781	S	S	*	*			trans	-48.9	144.2	175.2	-37.8	0	0	0	0	116.2
312	I	27.9	Very low	32	Very low	146 Å²	146	139.6 Å²	139.6	75%	0.749	77%	0.774	S	S	*	*			cis	101.4	152.1	14.1	-57.2	170.4	0	0	0	116.2
313	C	29.1	Very low	32.1	Very low	117 Å²	117	136.4 Å²	136.4	79%	0.791	76%	0.762	S	S	*	*			trans	80.3	148.8	167	-89.2	0	0	0	0	118.3
314	S	30.3	Very low	32.2	Very low	113 Å²	113	138.4 Å²	138.4	79%	0.79	76%	0.764	S	S	*	*			cis	-160.5	177.6	-10.5	-160.5	0	0	0	0	112.6
315	K	26.6	Very low	32.1	Very low	190 Å²	190	134.1 Å²	134.1	83%	0.826	76%	0.757	S	S	*	*			trans	-92.4	159.4	162	-73.6	-177.7	174.8	-177.8	0	111.6
316	V	31.2	Very low	32.3	Very low	140 Å²	140	131.6 Å²	131.6	85%	0.848	75%	0.753	S	S	*	*			trans	-141.6	142.5	154.9	-177.9	0	0	0	0	110.6
317	T	29.4	Very low	32.3	Very low	127 Å²	127	130.4 Å²	130.4	78%	0.779	75%	0.751	S	S	*	*			trans	-141.2	130	166.1	-50.2	0	0	0	0	108.1
318	P	40.9	Very low	32.4	Very low	116 Å²	116	129.9 Å²	129.9	75%	0.753	75%	0.748	S	S	*	*			trans	-97.2	142.9	174.3	35.6	-30.5	0	0	0	111.7
319	N	31.7	Very low	32.3	Very low	164 Å²	164	134.5 Å²	134.5	88%	0.877	75%	0.751	S	S	*	*			trans	-157.9	120.7	169.9	-165.7	14.7	0	0	0	110.6
320	S	35.2	Very low	32.4	Very low	100 Å²	100	134.6 Å²	134.6	70%	0.699	75%	0.752	S	S	*	*			trans	-170.9	119.9	172.2	57.2	0	0	0	0	112.4
321	E	34	Very low	32.4	Very low	174 Å²	174	136 Å²	136	81%	0.813	75%	0.753	S	S	*	*			trans	57.7	145.9	132.9	-62.7	-168.1	-162.2	0	0	120.9
322	N	34	Very low	32.6	Very low	104 Å²	104	139.4 Å²	139.4	56%	0.556	76%	0.761	S	S	*	*			cis	-160.3	145.5	-1.4	-129.1	-47.1	0	0	0	111.6
323	Q	34.4	Very low	32.9	Very low	148 Å²	148	137.1 Å²	137.1	69%	0.692	76%	0.758	S	S	*	*			trans	58.8	134.7	145	-86.5	170.5	86.4	0	0	124.7
324	L	33	Very low	33	Very low	149 Å²	149	136.4 Å²	136.4	78%	0.78	75%	0.754	S	S	*	*			trans	71.2	150.4	147.3	-59.7	161.3	0	0	0	119.7
325	S	30	Very low	33.1	Very low	91 Å²	91	140.4 Å²	140.4	64%	0.636	76%	0.76	S	S	*	*			cis	-178.5	158.7	-25.6	61.5	0	0	0	0	112.4
326	V	36.4	Very low	33.2	Very low	117 Å²	117	137.4 Å²	137.4	71%	0.709	76%	0.758	S	S	*	*			trans	74.9	101.5	155	179.6	0	0	0	0	119.5
327	D	33.5	Very low	33.2	Very low	132 Å²	132	136.8 Å²	136.8	71%	0.706	76%	0.755	S	S	*	*				65.5	145.7	124	-50	-5.6	0	0	0	126.5
328	N	34.6	Very low	33.2	Very low	136 Å²	136	138 Å²	138	73%	0.727	76%	0.757	S	S	*	*			trans	88.2	115.3	145.4	-69.2	-21	0	0	0	123.4
329	E	30.7	Very low	32.9	Very low	168 Å²	168	140.3 Å²	140.3	79%	0.785	76%	0.761	S	S	*	*			trans	27.4	130.7	133.7	-56.7	-165.4	106.1	0	0	121.3
330	T	33.8	Very low	32.8	Very low	143 Å²	143	137.8 Å²	137.8	88%	0.877	75%	0.752	S	S	*	*				-163.3	144.5	111.3	-75.2	0	0	0	0	110.2
331	K	33	Very low	32.7	Very low	172 Å²	172	138 Å²	138	75%	0.748	76%	0.759	S	S	*	*			trans	-77.2	150.1	175.9	-61.4	168.2	-178.2	170.6	0	111.1
332	H	35.9	Very low	32.5	Very low	181 Å²	181	135.1 Å²	135.1	84%	0.838	75%	0.753	S	S	*	*				167.6	140.7	117.1	-93.7	-72.7	0	0	0	115
333	S	32.9	Very low	32.4	Very low	98 Å²	98	137.5 Å²	137.5	69%	0.685	77%	0.766	S	S	*	*			trans	69	108.8	145.4	-165.4	0	0	0	0	121.3
334	S	30.9	Very low	32.3	Very low	101 Å²	101	140.1 Å²	140.1	71%	0.706	78%	0.775	S	S	*	*				50.8	112.3	127.3	-33.8	0	0	0	0	120.4
335	Q	33.4	Very low	32.2	Very low	198 Å²	198	142.5 Å²	142.5	93%	0.925	78%	0.78	S	S	*	*				-171.5	153.7	103.8	-103	175.6	4.9	0	0	114.9
336	T	28.3	Very low	32.3	Very low	126 Å²	126	143 Å²	143	77%	0.773	78%	0.784	S	S	*	*			trans	-55.5	141.3	178.1	-44	0	0	0	0	115.4
337	T	31.3	Very low	32	Very low	127 Å²	127	143.9 Å²	143.9	78%	0.779	78%	0.784	S	S	*	*				-174.2	126	121.1	18.3	0	0	0	0	113.3
338	N	29.9	Very low	32.1	Very low	154 Å²	154	147 Å²	147	82%	0.824	79%	0.794	S	S	*	*			trans	-82.9	152	157.4	-69.4	-13.8	0	0	0	108.8
339	I	34	Very low	32	Very low	163 Å²	163	147 Å²	147	84%	0.836	79%	0.794	S	S	*	*			trans	-117.6	101.3	170	-60.6	-179.4	0	0	0	109.2
340	T	29.8	Very low	32.4	Very low	112 Å²	112	143.8 Å²	143.8	69%	0.687	80%	0.796	S	S	*	*			trans	-102.9	128.2	169.2	-56.2	0	0	0	0	108.8	T342	T340-T342 HydrophobicContact CG2-CG2 4.08Å
341	A	32.5	Very low	32.3	Very low	104 Å²	104	144.4 Å²	144.4	86%	0.86	79%	0.794	S	S	*	*			trans	-101.9	66.9	-178.5	0	0	0	0	0	112.6
342	T	30.4	Very low	32.7	Very low	113 Å²	113	144.1 Å²	144.1	69%	0.693	80%	0.799	S	S	*	*			trans	-86.9	118.1	170	46.7	0	0	0	0	111.5	T340	T340-T342 HydrophobicContact CG2-CG2 4.08Å
343	N	32.6	Very low	32.5	Very low	155 Å²	155	143.3 Å²	143.3	83%	0.829	80%	0.801	S	S	*	*			trans	-102.5	89.5	165	-94.2	-20.1	0	0	0	110.5
344	K	31.2	Very low	32.7	Very low	202 Å²	202	146 Å²	146	88%	0.878	81%	0.808	S	S	*	*			trans	-97.3	120.6	155	-79.6	-173.1	175.4	-177.9	0	107.9
345	F	31.3	Very low	32.8	Very low	200 Å²	200	146.8 Å²	146.8	88%	0.877	81%	0.808	S	S	*	*			trans	-95.6	142.2	158.2	-94.6	-86.6	0	0	0	109.2
346	S	31.5	Very low	32.8	Very low	102 Å²	102	144.7 Å²	144.7	71%	0.713	80%	0.801	S	S	*	*			trans	-111.2	142.4	-164.4	54.2	0	0	0	0	113.4
347	N	30.7	Very low	32.8	Very low	134 Å²	134	149.3 Å²	149.3	72%	0.717	81%	0.805	S	S	*	*			trans	26.1	128.6	148.9	-54.9	23.8	0	0	0	119.4
348	H	36.3	Very low	32.8	Very low	197 Å²	197	150.1 Å²	150.1	91%	0.912	80%	0.803	S	S	*	*			trans	-147	121.9	132.7	-131.7	-65.7	0	0	0	110.2
349	D	31.9	Very low	33	Very low	137 Å²	137	151.3 Å²	151.3	73%	0.733	80%	0.801	S	S	*	*			trans	-82.8	145.5	-177.8	-51.9	-78.2	0	0	0	112.3
350	A	38.6	Very low	32.8	Very low	100 Å²	100	149.1 Å²	149.1	83%	0.826	80%	0.795	S	S	*	*			trans	-164	116.5	156.9	0	0	0	0	0	110.2
351	D	32.6	Very low	33	Very low	157 Å²	157	151.3 Å²	151.3	84%	0.84	80%	0.803	S	S	*	*			trans	-66.6	153.4	165.9	-73.1	-55.7	0	0	0	111.6
352	I	41.1	Very low	32.7	Very low	166 Å²	166	155.7 Å²	155.7	85%	0.851	80%	0.802	S	S	*	*			trans	-175.8	121.3	133.3	-95.7	152.2	0	0	0	108.8
353	D	31.8	Very low	32.8	Very low	164 Å²	164	156.3 Å²	156.3	88%	0.877	81%	0.806	S	S	*	*			trans	-74	132.6	160	-85.1	-57.4	0	0	0	109.8
354	D	36.2	Very low	32.8	Very low	155 Å²	155	154.2 Å²	154.2	83%	0.829	80%	0.799	S	S	*	*			trans	-160.1	165.6	131	-137.5	-29.7	0	0	0	113.3
355	V	32.8	Very low	33	Very low	116 Å²	116	150.1 Å²	150.1	70%	0.703	79%	0.793	S	S	*	*			trans	-92.5	146.7	-168.1	-173.5	0	0	0	0	111.9
356	I	33.4	Very low	32.7	Very low	155 Å²	155	148.8 Å²	148.8	80%	0.795	79%	0.794	S	S	*	*			trans	166.9	97.7	131.3	-81.9	153.5	0	0	0	112.8
357	R	28.5	Very low	32.7	Very low	223 Å²	223	154.8 Å²	154.8	84%	0.842	80%	0.801	S	S	*	*				27.9	121.5	122.6	-150.7	-170.7	-151.8	-168.8	8.4	118.6
358	I	32	Very low	32.7	Very low	144 Å²	144	153.8 Å²	153.8	74%	0.738	80%	0.8	S	S	*	*				172.4	130.7	120.2	-91.1	160.5	0	0	0	115.3
359	K	33.3	Very low	32.5	Very low	179 Å²	179	150.9 Å²	150.9	78%	0.778	79%	0.791	S	S	*	*			trans	62.1	90	155.6	-74.1	171.5	-174.8	177.1	0	123
360	T	30.9	Very low	32.7	Very low	116 Å²	116	150.4 Å²	150.4	71%	0.712	79%	0.789	S	S	*	*				40.2	126.8	109.3	60.6	0	0	0	0	121.4
361	N	33	Very low	32.4	Very low	159 Å²	159	155.9 Å²	155.9	85%	0.85	79%	0.788	S	S	*	*				-159.2	134.5	98.9	-95.3	-10.1	0	0	0	112.3
362	K	27.8	Very low	32.6	Very low	195 Å²	195	156.2 Å²	156.2	85%	0.848	79%	0.788	S	S	*	*			trans	-146.6	136.2	172.5	-179.6	179.1	-178.7	178.2	0	107.1
363	T	32.3	Very low	32.1	Very low	126 Å²	126	151.4 Å²	151.4	77%	0.773	78%	0.779	S	S	*	*			trans	-135.4	87	-170.4	-43.6	0	0	0	0	112.9
364	T	31.9	Very low	32.3	Very low	111 Å²	111	148.9 Å²	148.9	68%	0.681	77%	0.774	S	S	*	*			trans	-79	161.9	138.5	-25.8	0	0	0	0	107.5
365	P	35	Very low	32.3	Very low	117 Å²	117	150.1 Å²	150.1	76%	0.76	77%	0.772	S	S	*	*				-153.2	175.6	101.5	39.4	-21.6	0	0	0	116.1
366	L	26.3	Very low	32.4	Very low	172 Å²	172	151.9 Å²	151.9	90%	0.901	77%	0.773	S	S	*	*			trans	-91.5	-168.7	171.5	-81.7	158.8	0	0	0	112.6
367	R	29.6	Very low	32.6	Very low	228 Å²	228	152 Å²	152	86%	0.86	77%	0.77	S	S	*	*			trans	-76.6	153.7	-165.2	-99.4	178.7	166.6	167.5	-5.2	117.3
368	T	31.5	Very low	32.8	Very low	112 Å²	112	147 Å²	147	69%	0.687	76%	0.764	S	S	*	*			trans	65.3	125.5	143.2	51.8	0	0	0	0	123.4
369	N	31.9	Very low	33.1	Very low	137 Å²	137	145.6 Å²	145.6	73%	0.733	76%	0.764	S	S	*	*			trans	57.8	151.3	132.5	-64	37.5	0	0	0	121
370	D	35.9	Very low	33	Very low	127 Å²	127	142.5 Å²	142.5	68%	0.679	76%	0.761	S	S	*	*			cis	-151.6	159.8	5.3	-136.3	-47.6	0	0	0	114.6
371	R	32.9	Very low	33.3	Very low	215 Å²	215	143.5 Å²	143.5	81%	0.811	77%	0.766	S	S	*	*			trans	33.5	149.8	151.1	-104.2	171.4	173.6	178.4	-0.4	127.1
372	I	36.2	Very low	33.3	Very low	164 Å²	164	139.7 Å²	139.7	84%	0.841	76%	0.757	S	S	*	*			trans	79.7	127.6	161.1	-56.9	152.1	0	0	0	116.3
373	G	31.8	Very low	33.7	Very low	64 Å²	64	136.4 Å²	136.4	66%	0.66	76%	0.758	S	S	*	*			cis	146.6	120.4	-19.4	0	0	0	0	0	116.5
374	S	35.7	Very low	33.6	Very low	111 Å²	111	137.1 Å²	137.1	78%	0.776	76%	0.763	S	S	*	*			trans	-176.1	138.2	151.4	-89.8	0	0	0	0	114.1
375	K	36.2	Very low	34	Very low	181 Å²	181	137.7 Å²	137.7	79%	0.787	77%	0.768	S	S	*	*			trans	40	138.5	139.3	-60	175.4	-175.9	172.5	0	119.5
376	Q	35.7	Very low	33.8	Very low	153 Å²	153	137 Å²	137	72%	0.715	77%	0.772	S	S	*	*			cis	-167.2	168.8	15.9	-137.8	163.3	-37.1	0	0	112.5
377	H	36.7	Very low	34.1	Very low	158 Å²	158	137.6 Å²	137.6	73%	0.731	77%	0.771	S	S	*	*			trans	76.4	98.8	162.1	-72.1	-67.7	0	0	0	122.2
378	T	32.2	Very low	34.4	Very low	118 Å²	118	132.4 Å²	132.4	72%	0.724	77%	0.77	S	S	*	*			trans	-51.2	164.2	146.1	20.6	0	0	0	0	114.2
379	P	37.6	Very low	34.5	Very low	115 Å²	115	134.2 Å²	134.2	75%	0.747	78%	0.775	S	S	*	*			cis	-147.4	140.4	49.2	38.9	-17.1	0	0	0	121.5
380	T	32.6	Very low	34.4	Very low	114 Å²	114	136.4 Å²	136.4	70%	0.699	78%	0.778	S	S	*	*				50.1	115.4	121.4	-41.4	0	0	0	0	122
381	V	36.4	Very low	34.8	Very low	137 Å²	137	135.9 Å²	135.9	83%	0.83	78%	0.782	S	S	*	*				179.2	102.5	117.5	152.5	0	0	0	0	105.5
382	A	33.5	Very low	34.7	Very low	78 Å²	78	132.6 Å²	132.6	65%	0.645	78%	0.78	S	S	*	*				92.9	97.3	53.8	0	0	0	0	0	113.9
383	S	35.7	Very low	35.1	Very low	127 Å²	127	131.7 Å²	131.7	89%	0.888	78%	0.782	S	S	*	*			trans	-178	117.9	135.1	-78	0	0	0	0	110
384	T	31.2	Very low	35.1	Very low	140 Å²	140	135.7 Å²	135.7	86%	0.859	79%	0.788	S	S	*	*			trans	-126.8	164.3	-175.4	16.5	0	0	0	0	111.4
385	P	38.5	Very low	35	Very low	124 Å²	124	136 Å²	136	81%	0.805	79%	0.785	S	S	*	*			trans	-86.7	-173.7	-169	37.7	-38.4	0	0	0	113.3
386	A	32.5	Very low	35.1	Very low	102 Å²	102	133.8 Å²	133.8	84%	0.843	79%	0.786	S	S	*	*			trans	-118.6	115.3	171.8	0	0	0	0	0	111.5
387	E	31.8	Very low	34.8	Very low	184 Å²	184	130.8 Å²	130.8	86%	0.86	79%	0.788	S	S	*	*			trans	-82.5	158.8	159.2	-66.9	176.4	105.9	0	0	110.3
388	S	35.3	Very low	34.9	Very low	120 Å²	120	132.6 Å²	132.6	84%	0.839	80%	0.796	S	S	*	*			trans	-123.8	111.7	171.4	62.9	0	0	0	0	110.7
389	N	34.2	Very low	34.8	Very low	150 Å²	150	135.1 Å²	135.1	80%	0.802	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-74.1	160.2	-174.5	-81.1	-57.5	0	0	0	114.5
390	K	30.6	Very low	34.7	Very low	182 Å²	182	137.4 Å²	137.4	79%	0.791	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-63.8	156.9	160.5	-70.1	179.6	174.7	-178.8	0	111.4
391	P	44.3	Very low	34.6	Very low	117 Å²	117	136.5 Å²	136.5	76%	0.76	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-102.1	142.4	146.2	35.3	-27.1	0	0	0	111.6
392	D	31	Very low	34.6	Very low	146 Å²	146	137.2 Å²	137.2	78%	0.781	79%	0.793	S	S	*	*	P	Polyproline II helix	trans	-89.7	152.4	162	-60.5	-57.8	0	0	0	110.2
393	V	43.8	Very low	34.7	Very low	145 Å²	145	139.3 Å²	139.3	88%	0.879	79%	0.793	S	S	*	*			trans	-145.5	131.1	165.2	-177.2	0	0	0	0	109.1
394	D	32.4	Very low	34.7	Very low	148 Å²	148	139.3 Å²	139.3	79%	0.791	78%	0.783	S	S	*	*			trans	-97.2	158.3	-176.5	-112.1	-36	0	0	0	114.1
395	V	33	Very low	35	Very low	116 Å²	116	139.6 Å²	139.6	70%	0.703	78%	0.775	S	S	*	*			trans	35.4	125.9	146.9	-179.3	0	0	0	0	120.2
396	V	37.4	Very low	34.9	Very low	135 Å²	135	141.2 Å²	141.2	82%	0.818	77%	0.771	S	S	*	*				-170.5	137.3	119.6	142.8	0	0	0	0	109.5
397	A	30.5	Very low	35.1	Very low	90 Å²	90	143.2 Å²	143.2	74%	0.744	76%	0.763	S	S	*	*			trans	-103.5	138.4	172.2	0	0	0	0	0	111
398	H	39.1	Very low	35.5	Very low	196 Å²	196	141.5 Å²	141.5	91%	0.907	77%	0.765	S	S	*	*			trans	-151.1	173.5	157.8	-108.6	-27.4	0	0	0	111.5
399	Q	29.7	Very low	35.5	Very low	172 Å²	172	140.6 Å²	140.6	80%	0.804	75%	0.751	S	S	*	*			trans	-134	168.9	-151.4	-154.7	173	42.9	0	0	110.9
400	Q	35.3	Very low	35.7	Very low	163 Å²	163	144.7 Å²	144.7	76%	0.762	76%	0.755	S	S	*	*			trans	88.8	106.7	167.5	-51.3	-177.4	0.7	0	0	119
401	S	30.4	Very low	36.1	Very low	95 Å²	95	142.3 Å²	142.3	66%	0.664	75%	0.746	S	S	*	*				86.4	155.1	115.7	72.1	0	0	0	0	124.1
402	H	36.8	Very low	35.8	Very low	151 Å²	151	143.3 Å²	143.3	70%	0.699	74%	0.74	S	S	*	*			trans	83.6	96	163.7	-64.3	-66	0	0	0	122.1
403	D	35.8	Very low	35.9	Very low	122 Å²	122	145.2 Å²	145.2	65%	0.652	74%	0.737	S	S	*	*				55.6	119.6	120.6	-43.4	-24.5	0	0	0	121.9
404	N	35	Very low	35.5	Very low	127 Å²	127	144.4 Å²	144.4	68%	0.679	73%	0.726	S	S	*	*				175.4	140.1	90.3	-92.9	-67.3	0	0	0	116.9
405	Q	37.3	Very low	35.6	Very low	146 Å²	146	146.1 Å²	146.1	68%	0.682	73%	0.729	S	S	*	*			trans	54.5	105.3	138.2	-62.7	169.7	46	0	0	123.1
406	H	37.7	Very low	35.6	Very low	158 Å²	158	145.7 Å²	145.7	73%	0.731	73%	0.731	S	S	*	*				165.6	107.7	104.8	-89.6	-66.3	0	0	0	108.7
407	E	35.4	Very low	35.5	Very low	144 Å²	144	145 Å²	145	67%	0.673	73%	0.732	S	S	*	*				76.3	110.1	67.2	-174	177.2	-150.6	0	0	115.3
408	V	39.7	Very low	35.6	Very low	148 Å²	148	148.7 Å²	148.7	90%	0.897	73%	0.734	S	S	*	*				-153.7	150.8	122.6	156	0	0	0	0	107.5
409	N	36.5	Very low	35.4	Very low	101 Å²	101	145.4 Å²	145.4	54%	0.54	73%	0.733	S	S	.	*			trans	-111.1	147.7	-161.1	-93.5	-79.1	0	0	0	116.5
410	R	38.1	Very low	35.6	Very low	236 Å²	236	145.5 Å²	145.5	89%	0.891	73%	0.731	S	S	*	*			trans	-175.6	109.3	130	-98.8	159	-172.9	-168.2	2.1	109.7
411	H	39.4	Very low	35.6	Very low	133 Å²	133	143.6 Å²	143.6	62%	0.616	74%	0.736	S	S	*	*				66.2	134.5	81.5	-65	32.1	0	0	0	112.8
412	H	37	Very low	35.5	Very low	137 Å²	137	145.6 Å²	145.6	63%	0.634	74%	0.739	S	S	*	*			cis	-167.4	165.8	9.1	-115	28.3	0	0	0	107.4
413	R	34.6	Very low	35.5	Very low	186 Å²	186	145.1 Å²	145.1	70%	0.702	75%	0.746	S	S	*	*			cis	-178.2	123.1	-12.5	163.7	173.8	179.8	158.8	-1.2	112.6
414	I	33.7	Very low	35.3	Very low	129 Å²	129	144.9 Å²	144.9	66%	0.662	75%	0.745	S	S	*	*			trans	44.2	123.1	143.1	-49.6	168.5	0	0	0	120.2
415	H	35.9	Very low	35.4	Very low	184 Å²	184	142.9 Å²	142.9	85%	0.852	74%	0.74	S	S	*	*				-166.7	152.8	111.1	-109.4	-74.1	0	0	0	114.3
416	S	32.4	Very low	35.3	Very low	107 Å²	107	142.4 Å²	142.4	75%	0.748	74%	0.742	S	S	*	*			trans	-132	155	-172	58	0	0	0	0	112.6
417	S	35.8	Very low	35.4	Very low	120 Å²	120	138 Å²	138	84%	0.839	74%	0.74	S	S	*	*			trans	-152.9	131.6	161.2	53.2	0	0	0	0	110.8
418	Q	32.2	Very low	35.4	Very low	167 Å²	167	138 Å²	138	78%	0.78	74%	0.743	S	S	*	*			trans	-88.5	161.5	-179.7	-60.3	172.2	-0.2	0	0	111.7
419	S	35.4	Very low	35.2	Very low	128 Å²	128	137.1 Å²	137.1	90%	0.895	73%	0.733	S	S	*	*			trans	-151.7	144.9	147.5	-80.9	0	0	0	0	109.8
420	K	33.2	Very low	35.2	Very low	173 Å²	173	140 Å²	140	75%	0.752	74%	0.743	S	S	*	*			trans	-125.4	153.7	-178	-60.7	178	-179.4	-180	0	110
421	S	34.9	Very low	34.9	Very low	124 Å²	124	135.4 Å²	135.4	87%	0.867	74%	0.736	S	S	*	*			trans	-150.2	130.5	151	53.6	0	0	0	0	109.8
422	L	28.4	Very low	34.7	Very low	137 Å²	137	134.1 Å²	134.1	72%	0.717	74%	0.737	S	S	*	*			trans	-114.3	148.1	176.6	-63.3	88.2	0	0	0	110.5
423	V	37.1	Very low	34.4	Very low	140 Å²	140	133 Å²	133	85%	0.848	74%	0.74	S	S	*	*			trans	-149.1	119.2	148.2	-149.5	0	0	0	0	104.5
424	N	32.1	Very low	34.4	Very low	118 Å²	118	129.1 Å²	129.1	63%	0.631	74%	0.742	S	S	*	*				64.2	145.3	52.8	-75.6	79.9	0	0	0	112.8
425	S	36.7	Very low	34.5	Very low	84 Å²	84	128 Å²	128	59%	0.587	75%	0.745	S	S	*	*			cis	-165.7	165.4	-1.2	-93.7	0	0	0	0	108.6
426	D	35.6	Very low	34.3	Very low	136 Å²	136	126.2 Å²	126.2	73%	0.727	74%	0.74	S	S	*	*			cis	-167.8	156.9	-24.1	-86.2	-31	0	0	0	108.6	I428	D426-I428 HydrophobicContact CB-CD1 4.34Å
427	G	39.1	Very low	34.5	Very low	66 Å²	66	127 Å²	127	68%	0.68	75%	0.746	S	S	*	*			trans	163.6	114.4	175.4	0	0	0	0	0	112.6
428	I	35.9	Very low	34.4	Very low	144 Å²	144	130.1 Å²	130.1	74%	0.738	74%	0.744	S	S	*	*			cis	76.8	125.6	28.6	-41.2	161.2	0	0	0	109.9	D426	D426-I428 HydrophobicContact CB-CD1 4.34Å
429	L	35	Very low	34.7	Very low	129 Å²	129	128 Å²	128	68%	0.675	74%	0.743	S	S	*	*			cis	-163.2	156.8	28.6	-166.1	51.6	0	0	0	114.5
430	E	35.9	Very low	34.6	Very low	162 Å²	162	129 Å²	129	76%	0.757	74%	0.738	S	S	*	*			trans	49.4	169.8	152.6	-76.3	158.1	-157.9	0	0	124.1
431	D	32.9	Very low	34.8	Very low	140 Å²	140	126.9 Å²	126.9	75%	0.749	74%	0.739	S	S	*	*			cis	178.6	179.8	-44.5	-172.5	23.3	0	0	0	110.3
432	V	35.2	Very low	34.9	Very low	106 Å²	106	126.1 Å²	126.1	64%	0.642	73%	0.731	S	S	*	*			trans	88.9	83.9	154.7	-162	0	0	0	0	121.6
433	T	31.4	Very low	35	Very low	113 Å²	113	123.6 Å²	123.6	69%	0.693	73%	0.725	S	S	*	*				35	157.9	126.9	80.5	0	0	0	0	126.6
434	S	33.4	Very low	34.9	Very low	105 Å²	105	124.4 Å²	124.4	73%	0.734	72%	0.719	S	S	*	*			trans	86.2	149.8	149	-47.5	0	0	0	0	118
435	S	36.1	Very low	34.8	Very low	104 Å²	104	124 Å²	124	73%	0.727	72%	0.721	S	S	*	*			cis	-152	144.7	13.8	-47.1	0	0	0	0	115.7
436	I	32.3	Very low	34.4	Very low	148 Å²	148	126.7 Å²	126.7	76%	0.759	73%	0.729	S	S	*	*				34.6	127.5	129.8	-56.6	167.1	0	0	0	121.1
437	S	36.6	Very low	34.2	Very low	123 Å²	123	124.9 Å²	124.9	86%	0.86	73%	0.727	S	S	*	*				-166.8	148.8	123.8	-87.9	0	0	0	0	117.2
438	K	33.7	Very low	33.7	Very low	185 Å²	185	127.2 Å²	127.2	80%	0.804	73%	0.728	S	S	*	*			trans	-72.1	175.3	-169.3	-61.7	159.6	173.6	171.1	0	113.4
439	V	37.4	Very low	33.6	Very low	124 Å²	124	128.5 Å²	128.5	75%	0.752	73%	0.731	S	S	*	*				-167.4	134.3	71.4	160.3	0	0	0	0	114.7
440	N	34.7	Very low	33.4	Very low	149 Å²	149	127 Å²	127	80%	0.797	73%	0.731	S	S	*	*			trans	57.4	134.8	153.8	-67.2	8.1	0	0	0	125.8
441	V	35.7	Very low	33.4	Very low	127 Å²	127	124 Å²	124	77%	0.77	73%	0.728	S	S	*	*			trans	-118.3	152	152	179.7	0	0	0	0	107.2
442	P	37.8	Very low	33.5	Very low	108 Å²	108	122.6 Å²	122.6	70%	0.701	73%	0.729	S	S	*	*				-136.5	142.4	121.4	35.5	-24.3	0	0	0	111.2
443	S	29.7	Very low	33.9	Very low	85 Å²	85	124.9 Å²	124.9	59%	0.594	74%	0.735	S	S	*	*			cis	79.2	148.1	38.6	83.2	0	0	0	0	115.2
444	H	35.7	Very low	34.2	Very low	157 Å²	157	125.2 Å²	125.2	73%	0.727	73%	0.732	S	S	*	*			trans	97.2	111.7	-177.9	-60.3	-64.3	0	0	0	115.8
445	T	30.2	Very low	34.6	Very low	110 Å²	110	124.5 Å²	124.5	68%	0.675	73%	0.727	S	S	*	*				73.4	136.6	59.4	67.6	0	0	0	0	112.7
446	D	28.8	Very low	34.9	Very low	139 Å²	139	125.2 Å²	125.2	74%	0.743	73%	0.727	S	S	*	*			cis	-164.1	168.5	5.4	-132.4	-46.1	0	0	0	112.7
447	S	30.5	Very low	35.3	Very low	98 Å²	98	123.3 Å²	123.3	69%	0.685	73%	0.727	S	S	*	*			trans	65.9	167.6	155.4	88.6	0	0	0	0	118.7
448	T	29.4	Very low	35.4	Very low	115 Å²	115	122.7 Å²	122.7	71%	0.706	72%	0.721	S	S	*	*			cis	-163.3	172.2	-27.6	27.4	0	0	0	0	109.8
449	H	32.6	Very low	35.7	Very low	171 Å²	171	119.8 Å²	119.8	79%	0.792	72%	0.719	S	S	*	*			trans	72	121.2	168	-70.4	-76	0	0	0	117.1
450	S	31	Very low	35.9	Very low	99 Å²	99	121.6 Å²	121.6	69%	0.692	72%	0.719	S	S	*	*				90.3	137	78.9	-156.3	0	0	0	0	111.1
451	S	36.3	Very low	36.1	Very low	98 Å²	98	121.1 Å²	121.1	69%	0.685	72%	0.717	S	S	*	*			cis	-157.2	169	25.5	-32.4	0	0	0	0	112.6
452	S	34.8	Very low	36.2	Very low	110 Å²	110	124.9 Å²	124.9	77%	0.769	72%	0.723	S	S	*	*				29.6	142.2	125	-96.3	0	0	0	0	120.6
453	M	42.9	Very low	36.4	Very low	155 Å²	155	123.6 Å²	123.6	76%	0.764	73%	0.729	S	S	*	*			cis	-147.1	-171.7	12.2	-49.5	-179.6	74	0	0	108.6
454	D	39.4	Very low	36.8	Very low	120 Å²	120	129 Å²	129	64%	0.642	74%	0.742	S	S	*	*			cis	-162.4	162.9	8.3	-143.8	-32.2	0	0	0	112.9
455	S	41.6	Very low	37.3	Very low	90 Å²	90	125.8 Å²	125.8	63%	0.629	74%	0.742	S	S	*	*			trans	47.2	139.6	141.1	-74.8	0	0	0	0	123.6
456	T	42.5	Very low	38.4	Very low	119 Å²	119	127.5 Å²	127.5	73%	0.73	75%	0.746	S	S	*	*			cis	-168.4	150.3	-7.9	9.3	0	0	0	0	113.2
457	S	40.3	Very low	39.1	Very low	108 Å²	108	126.8 Å²	126.8	76%	0.755	75%	0.749	S	S	*	*			trans	66.4	157.2	149	77.9	0	0	0	0	120.2
458	C	38.6	Very low	40.2	Very low	109 Å²	109	127.2 Å²	127.2	74%	0.736	75%	0.752	S	S	*	*			cis	-157.8	127.2	-22.7	-110.4	0	0	0	0	108.6
459	V	39.4	Very low	41.3	Very low	124 Å²	124	126.5 Å²	126.5	75%	0.752	75%	0.752	S	S	*	*				71.5	113.5	93.3	170.4	0	0	0	0	112.4
460	Q	42.2	Very low	42.2	Very low	163 Å²	163	124.5 Å²	124.5	76%	0.762	75%	0.754	S	S	*	*				-154.7	156	66.9	-74.3	-170.3	1	0	0	117.8
461	N	38.8	Very low	43.2	Very low	138 Å²	138	126 Å²	126	74%	0.738	76%	0.759	S	S	*	*			trans	63.5	78.6	141.6	-63.7	-5.4	0	0	0	123.4
462	K	38.9	Very low	43.9	Very low	207 Å²	207	131.7 Å²	131.7	90%	0.9	77%	0.766	S	S	*	*				-3.5	133.2	127.5	-61.7	175.2	176.8	178.9	0	118.4
463	G	40.1	Very low	45.2	Very low	81 Å²	81	134.2 Å²	134.2	84%	0.835	77%	0.769	S	S	*	*			trans	-125.6	135.3	135.1	0	0	0	0	0	108.3
464	F	40	Very low	46	Very low	199 Å²	199	134.8 Å²	134.8	87%	0.873	77%	0.769	S	S	*	*			trans	-114.9	118.9	-171.1	-174.2	-89.8	0	0	0	111.4
465	A	46.2	Very low	47.7	Very low	88 Å²	88	138.6 Å²	138.6	73%	0.727	78%	0.78	S	S	*	*			trans	-145	118.7	174.5	0	0	0	0	0	111.1
466	I	52.4	Low	49.7	Very low	147 Å²	147	138.8 Å²	138.8	75%	0.754	79%	0.787	S	S	*	*			trans	36.1	107.7	153.4	-44.8	177.2	0	0	0	116.9	S468	I466-S468 PolarHBondContact O-N 2.72Å
467	P	43.5	Very low	51.7	Low	124 Å²	124	140.8 Å²	140.8	81%	0.805	79%	0.793	S	S	*	*			trans	-69.9	104.8	168.3	29.7	-32.7	0	0	0	110.7
468	S	53.5	Low	53.9	Low	107 Å²	107	140.7 Å²	140.7	75%	0.748	79%	0.789	S	S	*	*	P	Polyproline II helix	trans	-68	153.3	168	53.3	0	0	0	0	111.5	I466	I466-S468 PolarHBondContact O-N 2.72Å
469	S	52.3	Low	56.2	Low	100 Å²	100	139.1 Å²	139.1	70%	0.699	78%	0.784	S	S	*	*	P	Polyproline II helix	trans	-54.9	148.3	-178.1	44.6	0	0	0	0	114	T471	S469-T471 PolarHBondContact O-N 2.94Å
470	P	51.5	Low	58.6	Low	129 Å²	129	141.9 Å²	141.9	84%	0.838	79%	0.786	S	S	*	*	P	Polyproline II helix	trans	-70.8	117.4	-177.6	28.2	-34.5	0	0	0	111.9	R472	P470-R472 PolarHBondContact O-N 3.36Å
471	T	51.2	Low	60.8	Low	131 Å²	131	140.9 Å²	140.9	80%	0.804	78%	0.781	S	S	*	*	P	Polyproline II helix	trans	-66.3	122.3	176.9	-41.4	0	0	0	0	111.1	S469 I473	S469-T471 PolarHBondContact O-N 2.94Å; T471-I473 PolarHBondContact O-N 3.37Å
472	R	52.2	Low	63.1	Low	217 Å²	217	138.9 Å²	138.9	82%	0.819	77%	0.766	S	S	*	*	P	Polyproline II helix	trans	-64.3	119	171.3	-90.5	-174.3	171.6	-178.9	-2	110.1	P470 H474	P470-R472 PolarHBondContact O-N 3.36Å; R472-H474 PolarHBondContact O-N 3.15Å
473	I	61.8	Low	65	Low	162 Å²	162	132.8 Å²	132.8	83%	0.831	75%	0.748	S	S	*	*			trans	-75.5	105.2	168.6	-57.7	174.5	0	0	0	108	T471 K475	T471-I473 PolarHBondContact O-N 3.37Å; I473-K475 PolarHBondContact O-N 2.86Å
474	H	58.8	Low	67	Low	168 Å²	168	131.7 Å²	131.7	78%	0.778	72%	0.722	S	S	*	*			trans	-71.5	109.1	169.6	-78	-107.6	0	0	0	109.3	R472	R472-H474 PolarHBondContact O-N 3.15Å
475	K	75.9	Confident	69	Low	200 Å²	200	122.8 Å²	122.8	87%	0.87	69%	0.687	S	S	*	*	P	Polyproline II helix	trans	-65.5	131	163.4	-73.4	-175.9	177	-176.6	0	108.3	I473	I473-K475 PolarHBondContact O-N 2.86Å
476	A	83.6	Confident	70.5	Confident	94 Å²	94	123.4 Å²	123.4	78%	0.777	68%	0.682	S	S	*	*	P	Polyproline II helix	trans	-65	143.5	175	0	0	0	0	0	110.8
477	L	84.1	Confident	71.6	Confident	161 Å²	161	120.7 Å²	120.7	84%	0.843	67%	0.672	S	S	*	*	P	Polyproline II helix	trans	-67.4	128	171.4	-78.2	160.9	0	0	0	109.4
478	P	87.6	Confident	73.4	Confident	106 Å²	106	121.2 Å²	121.2	69%	0.688	66%	0.658	S	S	*	*	P	Polyproline II helix	trans	-61	159.2	170.6	-22.1	33.9	0	0	0	112	F480	P478-F480 PolarHBondContact O-N 3.27Å
479	A	86.7	Confident	74.9	Confident	76 Å²	76	119.6 Å²	119.6	63%	0.628	64%	0.64	S	S	*	*	P	Polyproline II helix	trans	-60.5	132.8	163.8	0	0	0	0	0	109.5	F482	A479-F482 HydrophobicContact CB-CE1 4.16Å; A479-F482 HydrophobicContact CB-CE2 4.47Å; A479-F482 HydrophobicContact CB-CZ 3.77Å; A479-F482 WeakPolarHBondContact O-CE2 3.34Å; A479-F482 WeakPolarHBondContact O-CZ 3.43Å
480	F	89.2	Confident	76.7	Confident	181 Å²	181	116.9 Å²	116.9	79%	0.794	62%	0.621	S	S	*	*			trans	-124.5	-14	-179.7	62.5	-91.7	0	0	0	113.1	P478	P478-F480 PolarHBondContact O-N 3.27Å
481	H	89.2	Confident	78.5	Confident	143 Å²	143	115.4 Å²	115.4	66%	0.662	61%	0.606	S	S	*	*			trans	-103.2	106.8	-179.3	178.2	-113.6	0	0	0	110.3
482	F	86.3	Confident	80.5	Confident	95 Å²	95	115.3 Å²	115.3	42%	0.417	60%	0.596	S	S	.	*			trans	-127.5	86.1	-177.3	-57.5	-90	0	0	0	110.3	A479 L484 G485 T486	A479-F482 HydrophobicContact CB-CE1 4.16Å; A479-F482 HydrophobicContact CB-CE2 4.47Å; A479-F482 HydrophobicContact CB-CZ 3.77Å; A479-F482 WeakPolarHBondContact O-CE2 3.34Å; A479-F482 WeakPolarHBondContact O-CZ 3.43Å; F482-L484 VanDerWaalsContact C-N 3.26Å; F482-L484 PolarHBondContact O-N 2.93Å; F482-L484 VanDerWaalsContact O-N 3.16Å; F482-G485 WeakPolarHBondContact CB-O 3.11Å; F482-G485 PolarHBondContact O-N 3.05Å; F482-T486 HydrophobicContact CB-CG2 4.21Å; F482-T486 HydrophobicContact CD2-CG2 3.64Å; F482-T486 HydrophobicContact CE2-CG2 4.17Å; F482-T486 HydrophobicContact CG-CG2 4.06Å
483	P	78.9	Confident	82.4	Confident	80 Å²	80	108.9 Å²	108.9	52%	0.519	58%	0.578	S	S	.	*	T	Hydrogen-bonded Turn	trans	-54.4	-39.7	-173.3	-29.2	35.4	0	0	0	114.4	R651	P483-R651 PolarHBondContact O-NH1 3.26Å
484	L	83.1	Confident	83.9	Confident	57 Å²	57	101.3 Å²	101.3	30%	0.298	54%	0.539	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.1	-12.6	-179.7	-62.2	176.7	0	0	0	113.5	F482 P575 S579 T591 L647 R651	F482-L484 VanDerWaalsContact C-N 3.26Å; F482-L484 PolarHBondContact O-N 2.93Å; F482-L484 VanDerWaalsContact O-N 3.16Å; L484-P575 HydrophobicContact CB-CG 4.39Å; L484-P575 VanDerWaalsContact O-CD 3.28Å; L484-P575 WeakPolarHBondContact O-CD 3.42Å; L484-P575 WeakPolarHBondContact O-CG 3.48Å; L484-S579 PolarHBondContact O-OG 3.12Å; L484-T591 HydrophobicContact CD2-CG2 4.31Å; L484-L647 HydrophobicContact CD2-CD1 3.97Å; L484-R651 VanDerWaalsContact C-NH2 3.26Å; L484-R651 PolarHBondContact O-NH2 3.04Å
485	G	81.7	Confident	85.6	Confident	12 Å²	12	98 Å²	98	12%	0.124	53%	0.527	C	S	.	.			trans	115.3	164.2	-174.7	0	0	0	0	0	113.2	F482 P575	F482-G485 WeakPolarHBondContact CB-O 3.11Å; F482-G485 PolarHBondContact O-N 3.05Å; G485-P575 WeakPolarHBondContact O-CG 3.21Å
486	T	76.7	Confident	86.6	Confident	102 Å²	102	93.3 Å²	93.3	63%	0.626	52%	0.516	S	S	*	.	S	Bend	trans	-91.8	-30.6	-168.5	46	0	0	0	0	114.6	F482 R488	F482-T486 HydrophobicContact CB-CG2 4.21Å; F482-T486 HydrophobicContact CD2-CG2 3.64Å; F482-T486 HydrophobicContact CE2-CG2 4.17Å; F482-T486 HydrophobicContact CG-CG2 4.06Å; T486-R488 PolarHBondContact O-N 2.66Å
487	T	75.7	Confident	87.1	Confident	90 Å²	90	90.5 Å²	90.5	55%	0.552	49%	0.486	S	S	*	.			trans	-93.6	71.4	-166.9	42	0	0	0	0	113.4	P575	T487-P575 VanDerWaalsContact C-CB 3.41Å; T487-P575 WeakPolarHBondContact O-CA 3.27Å; T487-P575 WeakPolarHBondContact O-CB 3.46Å; T487-P575 PolarHBondContact OG1-O 3.45Å
488	R	80.9	Confident	87.6	Confident	135 Å²	135	83.8 Å²	83.8	51%	0.509	45%	0.451	S	S	.	.	P	Polyproline II helix	trans	-74.2	129.4	171.1	-69.4	-172.9	178.1	-73	-13	110.7	T486 N572 T573 P575	T486-R488 PolarHBondContact O-N 2.66Å; R488-N572 PolarHBondContact NH1-O 3.31Å; R488-T573 PolarHBondContact NH1-O 3.21Å; R488-T573 VanDerWaalsContact NH1-O 3.14Å; R488-T573 PolarHBondContact NH2-O 3.42Å; R488-P575 HydrophobicContact CG-CB 4.03Å
489	M	85.1	Confident	88	Confident	72 Å²	72	82.8 Å²	82.8	36%	0.355	44%	0.437	S	S	.	.	P	Polyproline II helix	trans	-63.7	151.6	165.8	-67.1	174.1	70.1	0	0	110.2	D493 I494 E497 L571	M489-D493 HydrophobicContact CB-CB 4.12Å; M489-D493 HydrophobicContact CE-CB 3.8Å; M489-I494 HydrophobicContact CB-CD1 4.12Å; M489-I494 HydrophobicContact CB-CG1 3.7Å; M489-I494 HydrophobicContact CE-CG1 4.16Å; M489-I494 HydrophobicContact SD-CG1 4.31Å; M489-E497 HydrophobicContact CE-CB 4.22Å; M489-L571 HydrophobicContact SD-CD2 4.09Å
490	S	89.9	Confident	88.4	Confident	43 Å²	43	82.1 Å²	82.1	30%	0.301	42%	0.418	S	S	.	.	P	Polyproline II helix	trans	-73.9	165.2	168.3	69.9	0	0	0	0	111.2	E492 D493 I494	S490-E492 WeakPolarHBondContact CB-OE2 3.14Å; S490-E492 PolarHBondContact O-N 3.07Å; S490-D493 VanDerWaalsContact CB-OD2 3.29Å; S490-D493 WeakPolarHBondContact CB-OD2 3.45Å; S490-D493 PolarHBondContact N-OD2 3.1Å; S490-D493 PolarHBondContact O-N 3.16Å; S490-D493 PolarHBondContact OG-N 3.33Å; S490-D493 PolarHBondContact OG-OD2 3.07Å; S490-I494 VanDerWaalsContact O-CG1 3.3Å; S490-I494 WeakPolarHBondContact O-CG1 3.19Å; S490-I494 PolarHBondContact O-N 3.24Å
491	N	90.3	Very high	88.7	Confident	98 Å²	98	73.5 Å²	73.5	52%	0.524	38%	0.381	S	S	.	.	H	α-helix	trans	-64.3	-32.9	175.3	-66.1	-65.8	0	0	0	110.7	I494 N495	N491-I494 PolarHBondContact O-N 3.23Å; N491-N495 WeakPolarHBondContact O-CB 3.45Å; N491-N495 PolarHBondContact O-N 3.25Å; N491-N495 PolarHBondContact O-ND2 2.98Å
492	E	92.7	Very high	88.9	Confident	129 Å²	129	70 Å²	70	60%	0.603	36%	0.364	S	S	*	.	H	α-helix	trans	-63.4	-46.2	175.6	-64.1	71.4	-165.6	0	0	111.1	S490 T496	S490-E492 WeakPolarHBondContact CB-OE2 3.14Å; S490-E492 PolarHBondContact O-N 3.07Å; E492-T496 WeakPolarHBondContact O-CB 3.24Å; E492-T496 PolarHBondContact O-N 3.45Å; E492-T496 PolarHBondContact O-OG1 3.24Å
493	D	93.1	Very high	89.2	Confident	82 Å²	82	71.4 Å²	71.4	44%	0.439	37%	0.371	S	S	.	.	H	α-helix	trans	-64.1	-44	174.7	-57.2	-49.3	0	0	0	111.4	M489 S490 T496 E497	M489-D493 HydrophobicContact CB-CB 4.12Å; M489-D493 HydrophobicContact CE-CB 3.8Å; S490-D493 VanDerWaalsContact CB-OD2 3.29Å; S490-D493 WeakPolarHBondContact CB-OD2 3.45Å; S490-D493 PolarHBondContact N-OD2 3.1Å; S490-D493 PolarHBondContact O-N 3.16Å; S490-D493 PolarHBondContact OG-N 3.33Å; S490-D493 PolarHBondContact OG-OD2 3.07Å; D493-T496 PolarHBondContact O-N 3.2Å; D493-E497 WeakPolarHBondContact O-CB 3.43Å; D493-E497 PolarHBondContact O-N 2.96Å
494	I	93	Very high	89.9	Confident	4 Å²	4	70.8 Å²	70.8	2%	0.021	36%	0.362	C	S	.	.	H	α-helix	trans	-62.9	-44	179.7	-68.2	171.4	0	0	0	110.7	M489 S490 N491 T496 E497 L498 L571 N572	M489-I494 HydrophobicContact CB-CD1 4.12Å; M489-I494 HydrophobicContact CB-CG1 3.7Å; M489-I494 HydrophobicContact CE-CG1 4.16Å; M489-I494 HydrophobicContact SD-CG1 4.31Å; S490-I494 VanDerWaalsContact O-CG1 3.3Å; S490-I494 WeakPolarHBondContact O-CG1 3.19Å; S490-I494 PolarHBondContact O-N 3.24Å; N491-I494 PolarHBondContact O-N 3.23Å; I494-T496 VanDerWaalsContact C-N 3.35Å; I494-E497 PolarHBondContact O-N 3.19Å; I494-L498 HydrophobicContact CG2-CD1 3.74Å; I494-L498 HydrophobicContact CG2-CG 4.43Å; I494-L498 WeakPolarHBondContact O-CB 3.5Å; I494-L498 WeakPolarHBondContact O-CD1 3.17Å; I494-L498 WeakPolarHBondContact O-CG 3.36Å; I494-L498 PolarHBondContact O-N 2.98Å; I494-L571 HydrophobicContact CD1-CB 4.29Å; I494-L571 HydrophobicContact CG1-CB 4.09Å; I494-L571 HydrophobicContact CG2-CB 4.24Å; I494-L571 HydrophobicContact CG2-CD1 4.26Å; I494-N572 HydrophobicContact CD1-CB 4.5Å
495	N	94.5	Very high	90.3	Very high	98 Å²	98	68 Å²	68	52%	0.524	35%	0.347	S	S	.	.	H	α-helix	trans	-66.3	-37	176.5	-71.9	-35.8	0	0	0	112.1	N491 L498 E499	N491-N495 WeakPolarHBondContact O-CB 3.45Å; N491-N495 PolarHBondContact O-N 3.25Å; N491-N495 PolarHBondContact O-ND2 2.98Å; N495-L498 PolarHBondContact O-N 3.14Å; N495-E499 PolarHBondContact O-N 2.83Å
496	T	95.5	Very high	90.6	Very high	102 Å²	102	69.8 Å²	69.8	63%	0.626	35%	0.354	S	S	*	.	H	α-helix	trans	-64	-45.4	175.7	-57.6	0	0	0	0	111.1	E492 D493 I494 E499 R500	E492-T496 WeakPolarHBondContact O-CB 3.24Å; E492-T496 PolarHBondContact O-N 3.45Å; E492-T496 PolarHBondContact O-OG1 3.24Å; D493-T496 PolarHBondContact O-N 3.2Å; I494-T496 VanDerWaalsContact C-N 3.35Å; T496-E499 PolarHBondContact O-N 3.46Å; T496-R500 PolarHBondContact O-N 3.1Å
497	E	94.4	Very high	91	Very high	34 Å²	34	72.2 Å²	72.2	16%	0.159	36%	0.358	C	S	.	.	H	α-helix	trans	-64.6	-40.7	176.4	176.4	64.1	173	0	0	112.1	M489 D493 I494 R500 V501 N536 L571	M489-E497 HydrophobicContact CE-CB 4.22Å; D493-E497 WeakPolarHBondContact O-CB 3.43Å; D493-E497 PolarHBondContact O-N 2.96Å; I494-E497 PolarHBondContact O-N 3.19Å; E497-R500 PolarHBondContact O-N 2.94Å; E497-R500 IonicContact OE1-CZ 3.69Å; E497-R500 IonicContact OE1-NE 3.88Å; E497-R500 IonicContact OE1-NH2 2.69Å; E497-R500 PolarHBondContact OE1-NH2 3.25Å; E497-R500 IonicContact OE2-CZ 3.64Å; E497-R500 IonicContact OE2-NE 2.73Å; E497-R500 PolarHBondContact OE2-NE 3.02Å; E497-R500 IonicContact OE2-NH2 3.65Å; E497-R500 PolarHBondContact OE2-NH2 2.88Å; E497-R500 VanDerWaalsContact OE2-NH2 3.11Å; E497-V501 WeakPolarHBondContact O-CB 3.49Å; E497-V501 VanDerWaalsContact O-CG2 3.29Å; E497-V501 WeakPolarHBondContact O-CG2 3.33Å; E497-V501 PolarHBondContact O-N 2.94Å; E497-N536 PolarHBondContact OE1-ND2 3.36Å; E497-L571 HydrophobicContact CB-CD1 4.36Å; E497-L571 HydrophobicContact CG-CD1 3.84Å
498	L	95.5	Very high	91.2	Very high	20 Å²	20	70.8 Å²	70.8	11%	0.105	34%	0.344	C	S	.	.	H	α-helix	trans	-66	-39.4	177.9	-73	164.7	0	0	0	112.8	I494 N495 K502 L564 W567 S568	I494-L498 HydrophobicContact CG2-CD1 3.74Å; I494-L498 HydrophobicContact CG2-CG 4.43Å; I494-L498 WeakPolarHBondContact O-CB 3.5Å; I494-L498 WeakPolarHBondContact O-CD1 3.17Å; I494-L498 WeakPolarHBondContact O-CG 3.36Å; I494-L498 PolarHBondContact O-N 2.98Å; N495-L498 PolarHBondContact O-N 3.14Å; L498-K502 WeakPolarHBondContact O-CB 3.33Å; L498-K502 PolarHBondContact O-N 3.06Å; L498-L564 HydrophobicContact CD2-CD2 4.25Å; L498-W567 HydrophobicContact CD2-CB 4.41Å; L498-S568 WeakPolarHBondContact CD1-OG 3.42Å
499	E	94.9	Very high	91	Very high	86 Å²	86	65.9 Å²	65.9	40%	0.402	33%	0.328	S	S	.	.	H	α-helix	trans	-71.6	-33.5	174.4	-74	-62.6	141.3	0	0	112.4	N495 T496 K502 Q503	N495-E499 PolarHBondContact O-N 2.83Å; T496-E499 PolarHBondContact O-N 3.46Å; E499-K502 IonicContact OE1-NZ 3.89Å; E499-K502 PolarHBondContact OE1-NZ 3.34Å; E499-K502 IonicContact OE2-NZ 2.66Å; E499-K502 PolarHBondContact OE2-NZ 2.89Å; E499-Q503 WeakPolarHBondContact O-CB 3.28Å; E499-Q503 WeakPolarHBondContact O-CG 3.28Å; E499-Q503 PolarHBondContact O-N 3.45Å; E499-Q503 PolarHBondContact O-NE2 3.06Å
500	R	95.9	Very high	89.8	Confident	61 Å²	61	68.5 Å²	68.5	23%	0.23	34%	0.343	C	S	.	.	H	α-helix	trans	-60.6	-55	170	-176.6	-162.7	63.9	76.9	1.7	111	T496 E497 K502 Q503 E504 V534 N536	T496-R500 PolarHBondContact O-N 3.1Å; E497-R500 PolarHBondContact O-N 2.94Å; E497-R500 IonicContact OE1-CZ 3.69Å; E497-R500 IonicContact OE1-NE 3.88Å; E497-R500 IonicContact OE1-NH2 2.69Å; E497-R500 PolarHBondContact OE1-NH2 3.25Å; E497-R500 IonicContact OE2-CZ 3.64Å; E497-R500 IonicContact OE2-NE 2.73Å; E497-R500 PolarHBondContact OE2-NE 3.02Å; E497-R500 IonicContact OE2-NH2 3.65Å; E497-R500 PolarHBondContact OE2-NH2 2.88Å; E497-R500 VanDerWaalsContact OE2-NH2 3.11Å; R500-K502 VanDerWaalsContact C-N 3.3Å; R500-K502 PolarHBondContact O-N 2.93Å; R500-Q503 PolarHBondContact O-N 3.33Å; R500-E504 WeakPolarHBondContact CD-OE1 3.38Å; R500-E504 VanDerWaalsContact CG-OE1 3.24Å; R500-E504 WeakPolarHBondContact CG-OE1 3.46Å; R500-E504 IonicContact CZ-OE1 2.78Å; R500-E504 IonicContact NE-OE1 3.19Å; R500-E504 IonicContact NH1-OE1 3.96Å; R500-E504 PolarHBondContact NH1-OE1 3.43Å; R500-E504 IonicContact NH1-OE2 3.31Å; R500-E504 PolarHBondContact NH1-OE2 3Å; R500-E504 PolarHBondContact O-N 3.38Å; R500-V534 PolarHBondContact NH1-O 3.47Å; R500-V534 VanDerWaalsContact NH1-O 3.07Å; R500-V534 PolarHBondContact NH2-O 3.3Å; R500-N536 PolarHBondContact NH2-ND2 3.45Å
501	V	94.9	Very high	88	Confident	0 Å²	0	70.6 Å²	70.6	0%	0	36%	0.358	C	S	.	.	H	α-helix	trans	-52.6	-49.3	177.4	164.6	0	0	0	0	110.5	E497 Q503 E504 L505 V534 L535 L564	E497-V501 WeakPolarHBondContact O-CB 3.49Å; E497-V501 VanDerWaalsContact O-CG2 3.29Å; E497-V501 WeakPolarHBondContact O-CG2 3.33Å; E497-V501 PolarHBondContact O-N 2.94Å; V501-Q503 VanDerWaalsContact C-N 3.35Å; V501-Q503 PolarHBondContact O-N 3.43Å; V501-E504 PolarHBondContact O-N 2.67Å; V501-L505 HydrophobicContact CG1-CD1 3.59Å; V501-L505 HydrophobicContact CG1-CG 4.1Å; V501-L505 WeakPolarHBondContact O-CB 3.23Å; V501-L505 WeakPolarHBondContact O-CG 3.39Å; V501-L505 PolarHBondContact O-N 2.86Å; V501-V534 HydrophobicContact CB-CG1 4.45Å; V501-V534 HydrophobicContact CG1-CG1 4.27Å; V501-V534 HydrophobicContact CG2-CG1 4.43Å; V501-L535 HydrophobicContact CB-CD2 4.24Å; V501-L535 HydrophobicContact CG1-CD2 3.44Å; V501-L535 VanDerWaalsContact CG1-CD2 3.44Å; V501-L535 HydrophobicContact CG2-CD2 3.67Å; V501-L564 HydrophobicContact CB-CD2 4.44Å; V501-L564 HydrophobicContact CG1-CD2 3.78Å
502	K	94.1	Very high	85.8	Confident	71 Å²	71	71.6 Å²	71.6	31%	0.309	37%	0.37	S	S	.	.	H	α-helix	trans	-60.5	-38.7	178	176.9	176.6	158.1	-134.7	0	113	L498 E499 R500 N506 L564	L498-K502 WeakPolarHBondContact O-CB 3.33Å; L498-K502 PolarHBondContact O-N 3.06Å; E499-K502 IonicContact OE1-NZ 3.89Å; E499-K502 PolarHBondContact OE1-NZ 3.34Å; E499-K502 IonicContact OE2-NZ 2.66Å; E499-K502 PolarHBondContact OE2-NZ 2.89Å; R500-K502 VanDerWaalsContact C-N 3.3Å; R500-K502 PolarHBondContact O-N 2.93Å; K502-N506 PolarHBondContact O-N 2.95Å; K502-N506 PolarHBondContact O-ND2 3.33Å; K502-L564 HydrophobicContact CB-CD1 4.02Å; K502-L564 HydrophobicContact CB-CD2 4.17Å; K502-L564 HydrophobicContact CD-CD1 3.98Å; K502-L564 HydrophobicContact CG-CD1 4.05Å
503	Q	92.3	Very high	83.6	Confident	123 Å²	123	73 Å²	73	58%	0.575	38%	0.381	S	S	*	.	H	α-helix	trans	-69.6	-37.8	176.2	-73.8	167.6	42.2	0	0	112.6	E499 R500 V501 Q507	E499-Q503 WeakPolarHBondContact O-CB 3.28Å; E499-Q503 WeakPolarHBondContact O-CG 3.28Å; E499-Q503 PolarHBondContact O-N 3.45Å; E499-Q503 PolarHBondContact O-NE2 3.06Å; R500-Q503 PolarHBondContact O-N 3.33Å; V501-Q503 VanDerWaalsContact C-N 3.35Å; V501-Q503 PolarHBondContact O-N 3.43Å; Q503-Q507 WeakPolarHBondContact O-CG 3.35Å; Q503-Q507 PolarHBondContact O-NE2 2.97Å
504	E	93.2	Very high	81.6	Confident	67 Å²	67	72.8 Å²	72.8	31%	0.313	38%	0.379	S	S	.	.	H	α-helix	trans	-74.3	-38.2	176.9	-75.3	174.7	-142	0	0	113	R500 V501 Q507 F508 V534	R500-E504 WeakPolarHBondContact CD-OE1 3.38Å; R500-E504 VanDerWaalsContact CG-OE1 3.24Å; R500-E504 WeakPolarHBondContact CG-OE1 3.46Å; R500-E504 IonicContact CZ-OE1 2.78Å; R500-E504 IonicContact NE-OE1 3.19Å; R500-E504 IonicContact NH1-OE1 3.96Å; R500-E504 PolarHBondContact NH1-OE1 3.43Å; R500-E504 IonicContact NH1-OE2 3.31Å; R500-E504 PolarHBondContact NH1-OE2 3Å; R500-E504 PolarHBondContact O-N 3.38Å; V501-E504 PolarHBondContact O-N 2.67Å; E504-Q507 PolarHBondContact O-N 2.85Å; E504-F508 WeakPolarHBondContact O-CD1 3.36Å; E504-V534 HydrophobicContact CB-CG1 3.65Å; E504-V534 HydrophobicContact CB-CG2 4.02Å
505	L	92.1	Very high	79.6	Confident	0 Å²	0	77.9 Å²	77.9	0%	0	42%	0.415	C	S	.	.	H	α-helix	trans	-63.1	-47.2	176.9	-71.6	177.1	0	0	0	111.8	V501 Q507 F508 I509 V531 V534 L560 L563	V501-L505 HydrophobicContact CG1-CD1 3.59Å; V501-L505 HydrophobicContact CG1-CG 4.1Å; V501-L505 WeakPolarHBondContact O-CB 3.23Å; V501-L505 WeakPolarHBondContact O-CG 3.39Å; V501-L505 PolarHBondContact O-N 2.86Å; L505-Q507 PolarHBondContact O-N 3.39Å; L505-F508 HydrophobicContact CD2-CE1 3.73Å; L505-F508 HydrophobicContact CD2-CZ 3.5Å; L505-F508 PolarHBondContact O-N 2.91Å; L505-I509 HydrophobicContact CB-CD1 3.91Å; L505-I509 WeakPolarHBondContact O-CD1 3.5Å; L505-I509 VanDerWaalsContact O-CG1 3.23Å; L505-I509 WeakPolarHBondContact O-CG1 3.29Å; L505-I509 PolarHBondContact O-N 3.16Å; L505-I509 VanDerWaalsContact O-N 3.16Å; L505-V531 HydrophobicContact CD2-CB 4.45Å; L505-V531 HydrophobicContact CD2-CG1 4.39Å; L505-V531 HydrophobicContact CD2-CG2 3.97Å; L505-V534 HydrophobicContact CD2-CB 4.32Å; L505-V534 HydrophobicContact CD2-CG1 4.06Å; L505-V534 HydrophobicContact CG-CG1 4.05Å; L505-L560 HydrophobicContact CB-CD1 4.08Å; L505-L560 HydrophobicContact CD1-CD1 3.42Å; L505-L560 VanDerWaalsContact CD1-CD1 3.42Å; L505-L560 HydrophobicContact CG-CD1 4.4Å; L505-L563 HydrophobicContact CD1-CD2 3.66Å
506	N	87.8	Confident	77.7	Confident	49 Å²	49	77 Å²	77	26%	0.262	43%	0.429	S	S	.	.	H	α-helix	trans	-58.5	-36.1	-179.4	-73.8	-41.9	0	0	0	112.7	K502 F508 I509 D510 L560	K502-N506 PolarHBondContact O-N 2.95Å; K502-N506 PolarHBondContact O-ND2 3.33Å; N506-F508 PolarHBondContact O-N 3.25Å; N506-I509 PolarHBondContact O-N 3.4Å; N506-D510 PolarHBondContact O-N 2.92Å; N506-L560 WeakPolarHBondContact OD1-CD2 3.26Å
507	Q	84.6	Confident	76	Confident	152 Å²	152	79 Å²	79	71%	0.71	43%	0.429	S	S	*	.	H	α-helix	trans	-59	-21.7	-178.9	-76.7	170	75.9	0	0	114.9	Q503 E504 L505	Q503-Q507 WeakPolarHBondContact O-CG 3.35Å; Q503-Q507 PolarHBondContact O-NE2 2.97Å; E504-Q507 PolarHBondContact O-N 2.85Å; L505-Q507 PolarHBondContact O-N 3.39Å
508	F	81.1	Confident	74.3	Confident	61 Å²	61	84 Å²	84	27%	0.268	45%	0.447	S	S	.	.	H	α-helix	trans	-116.3	-13.8	175.3	71.1	-102.3	0	0	0	114.6	E504 L505 N506 D510 C527 Q530 V531 V534	E504-F508 WeakPolarHBondContact O-CD1 3.36Å; L505-F508 HydrophobicContact CD2-CE1 3.73Å; L505-F508 HydrophobicContact CD2-CZ 3.5Å; L505-F508 PolarHBondContact O-N 2.91Å; N506-F508 PolarHBondContact O-N 3.25Å; F508-D510 VanDerWaalsContact C-N 3.34Å; F508-C527 HydrophobicContact CE2-CB 4.14Å; F508-Q530 HydrophobicContact CD1-CG 3.99Å; F508-Q530 HydrophobicContact CE1-CG 3.67Å; F508-Q530 HydrophobicContact CE2-CG 4.4Å; F508-Q530 HydrophobicContact CG-CG 4.45Å; F508-Q530 HydrophobicContact CZ-CB 4.28Å; F508-Q530 HydrophobicContact CZ-CG 3.9Å; F508-V531 HydrophobicContact CZ-CG2 4.28Å; F508-V534 HydrophobicContact CE1-CG2 4.15Å
509	I	75.6	Confident	73.3	Confident	31 Å²	31	89.5 Å²	89.5	16%	0.159	49%	0.488	C	S	.	.	H	α-helix	trans	-76.4	-24.5	174	-61	160.9	0	0	0	111.2	L505 N506 S511 P521 I523	L505-I509 HydrophobicContact CB-CD1 3.91Å; L505-I509 WeakPolarHBondContact O-CD1 3.5Å; L505-I509 VanDerWaalsContact O-CG1 3.23Å; L505-I509 WeakPolarHBondContact O-CG1 3.29Å; L505-I509 PolarHBondContact O-N 3.16Å; L505-I509 VanDerWaalsContact O-N 3.16Å; N506-I509 PolarHBondContact O-N 3.4Å; I509-S511 PolarHBondContact O-N 2.96Å; I509-P521 HydrophobicContact CG2-CB 3.65Å; I509-I523 HydrophobicContact CD1-CD1 3.91Å; I509-I523 HydrophobicContact CD1-CG1 3.7Å; I509-I523 HydrophobicContact CG1-CG1 4.31Å
510	D	59.9	Low	72.8	Confident	128 Å²	128	87 Å²	87	68%	0.684	48%	0.477	S	S	*	.			trans	-67	22.8	177.7	-80.2	-23.7	0	0	0	115.6	N506 F508	N506-D510 PolarHBondContact O-N 2.92Å; F508-D510 VanDerWaalsContact C-N 3.34Å
511	S	52.9	Low	72.4	Confident	87 Å²	87	86.3 Å²	86.3	61%	0.608	48%	0.481	S	S	*	.	S	Bend	trans	-69	129.4	169.8	-166.3	0	0	0	0	110.1	I509 L513	I509-S511 PolarHBondContact O-N 2.96Å; S511-L513 PolarHBondContact O-N 2.88Å
512	P	44.4	Very low	72.2	Confident	118 Å²	118	89.3 Å²	89.3	77%	0.766	50%	0.497	S	S	*	.	S	Bend	trans	-82.2	67.1	-150.6	32.4	-39.1	0	0	0	115.5
513	L	46.8	Very low	72.2	Confident	159 Å²	159	86 Å²	86	83%	0.832	48%	0.482	S	S	*	.	S	Bend	trans	-128.9	118.3	169.8	-79.6	159.9	0	0	0	111	S511 S515	S511-L513 PolarHBondContact O-N 2.88Å; L513-S515 PolarHBondContact O-N 3.07Å
514	D	51.1	Low	72.2	Confident	77 Å²	77	82.8 Å²	82.8	41%	0.412	47%	0.472	S	S	.	.	S	Bend	trans	65	19.3	168.2	-120	20.8	0	0	0	119.7	G516 K517 Y518	D514-G516 PolarHBondContact O-N 3.32Å; D514-K517 PolarHBondContact O-N 2.88Å; D514-K517 IonicContact OD1-NZ 2.63Å; D514-K517 PolarHBondContact OD1-NZ 3.01Å; D514-K517 WeakPolarHBondContact OD2-CD 3.22Å; D514-K517 IonicContact OD2-NZ 2.69Å; D514-K517 PolarHBondContact OD2-NZ 3.14Å; D514-Y518 HydrophobicContact CB-CE2 4.49Å
515	S	50.6	Low	72.2	Confident	111 Å²	111	81.2 Å²	81.2	78%	0.776	47%	0.465	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.6	-1.4	172.2	58.8	0	0	0	0	115.9	L513	L513-S515 PolarHBondContact O-N 3.07Å
516	G	54.3	Low	72.2	Confident	79 Å²	79	86.3 Å²	86.3	81%	0.814	50%	0.5	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.7	-3.6	172	0	0	0	0	0	115.7	D514	D514-G516 PolarHBondContact O-N 3.32Å
517	K	58.8	Low	72.5	Confident	144 Å²	144	85.7 Å²	85.7	63%	0.626	50%	0.499	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.4	-28.9	-176.5	-69.9	-151.9	-164.3	80	0	115.9	D514	D514-K517 PolarHBondContact O-N 2.88Å; D514-K517 IonicContact OD1-NZ 2.63Å; D514-K517 PolarHBondContact OD1-NZ 3.01Å; D514-K517 WeakPolarHBondContact OD2-CD 3.22Å; D514-K517 IonicContact OD2-NZ 2.69Å; D514-K517 PolarHBondContact OD2-NZ 3.14Å
518	Y	59	Low	73.1	Confident	139 Å²	139	78.6 Å²	78.6	55%	0.545	47%	0.466	S	S	.	.			trans	-113.6	134.8	-171.8	-59.7	-80.2	0	0	0	111.3	D514 D520 L522	D514-Y518 HydrophobicContact CB-CE2 4.49Å; Y518-D520 VanDerWaalsContact C-N 3.3Å; Y518-L522 HydrophobicContact CD1-CD1 4.19Å; Y518-L522 HydrophobicContact CD2-CD1 4.33Å; Y518-L522 HydrophobicContact CE1-CD1 4.24Å; Y518-L522 HydrophobicContact CE2-CD1 4.38Å; Y518-L522 HydrophobicContact CG-CD1 4.24Å
519	S	74.9	Confident	73.7	Confident	136 Å²	136	76.4 Å²	76.4	95%	0.951	46%	0.461	S	S	*	.	S	Bend	trans	-83.2	-4.8	179.3	58	0	0	0	0	114.2
520	D	83.9	Confident	74.7	Confident	33 Å²	33	79.5 Å²	79.5	18%	0.176	47%	0.474	C	S	.	.	S	Bend	trans	-142.8	122.1	-177.6	-170.8	-3.6	0	0	0	106.9	Y518 T559 L560 S561	Y518-D520 VanDerWaalsContact C-N 3.3Å; D520-T559 WeakPolarHBondContact OD2-CB 3.4Å; D520-L560 PolarHBondContact OD1-N 2.85Å; D520-S561 PolarHBondContact OD1-N 3.39Å; D520-S561 VanDerWaalsContact OD1-N 3.14Å; D520-S561 PolarHBondContact OD1-OG 2.9Å; D520-S561 WeakPolarHBondContact OD2-CB 3.41Å; D520-S561 PolarHBondContact OD2-N 3.07Å; D520-S561 PolarHBondContact OD2-OG 2.75Å
521	P	87.9	Confident	76.4	Confident	47 Å²	47	73.4 Å²	73.4	31%	0.305	44%	0.442	S	S	.	.			trans	-61	139	-176.2	-23.6	33	0	0	0	112.8	I509 T559 L560	I509-P521 HydrophobicContact CG2-CB 3.65Å; P521-T559 WeakPolarHBondContact O-CA 3.3Å; P521-L560 HydrophobicContact CB-CB 4.34Å; P521-L560 HydrophobicContact CG-CD2 4.1Å; P521-L560 PolarHBondContact O-N 2.75Å
522	L	91.1	Very high	78.5	Confident	64 Å²	64	69.2 Å²	69.2	34%	0.335	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	128.7	177.3	-70.3	170.4	0	0	0	110.3	Y518 P557 T559	Y518-L522 HydrophobicContact CD1-CD1 4.19Å; Y518-L522 HydrophobicContact CD2-CD1 4.33Å; Y518-L522 HydrophobicContact CE1-CD1 4.24Å; Y518-L522 HydrophobicContact CE2-CD1 4.38Å; Y518-L522 HydrophobicContact CG-CD1 4.24Å; L522-P557 HydrophobicContact CB-CB 4.03Å; L522-P557 HydrophobicContact CD2-CB 4.39Å; L522-T559 HydrophobicContact CD2-CG2 3.61Å
523	I	93.2	Very high	81	Confident	0 Å²	0	68.9 Å²	68.9	0%	0	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	111.7	-179.1	-51.5	178	0	0	0	108.5	I509 C527 F528 V531 P557 V558 L560 L563	I509-I523 HydrophobicContact CD1-CD1 3.91Å; I509-I523 HydrophobicContact CD1-CG1 3.7Å; I509-I523 HydrophobicContact CG1-CG1 4.31Å; I523-C527 HydrophobicContact CG2-CB 3.96Å; I523-F528 HydrophobicContact CB-CE2 4Å; I523-F528 HydrophobicContact CB-CZ 4.45Å; I523-F528 HydrophobicContact CG2-CD2 4.06Å; I523-F528 HydrophobicContact CG2-CE2 3.53Å; I523-F528 HydrophobicContact CG2-CZ 4.18Å; I523-V531 HydrophobicContact CG2-CG2 3.97Å; I523-P557 CarbonylContact O-C 3.49Å; I523-P557 VanDerWaalsContact O-CA 3.27Å; I523-P557 WeakPolarHBondContact O-CA 3.37Å; I523-V558 WeakPolarHBondContact CB-O 3.44Å; I523-V558 PolarHBondContact N-O 3.14Å; I523-V558 PolarHBondContact O-N 3.39Å; I523-L560 HydrophobicContact CD1-CB 4.43Å; I523-L560 HydrophobicContact CD1-CD1 4.15Å; I523-L563 HydrophobicContact CD1-CD2 3.5Å; I523-L563 VanDerWaalsContact CD1-CD2 3.5Å
524	P	93.2	Very high	83.3	Confident	56 Å²	56	61.6 Å²	61.6	36%	0.364	36%	0.361	S	S	.	.			trans	-62.7	149.1	175.1	-22.3	33.8	0	0	0	112.5	S526 C527 F528	P524-S526 PolarHBondContact O-N 2.78Å; P524-C527 WeakPolarHBondContact O-CB 3.44Å; P524-C527 PolarHBondContact O-N 2.92Å; P524-F528 WeakPolarHBondContact O-CD2 3.27Å
525	H	92.9	Very high	85.5	Confident	35 Å²	35	58 Å²	58	16%	0.162	34%	0.342	C	S	.	.	G	3₁₀ helix	trans	-51.5	-41.2	176.2	178.1	-86.9	0	0	0	112.9	C527 F528 H543 Y546 R555	H525-C527 PolarHBondContact O-N 3.18Å; H525-C527 VanDerWaalsContact O-N 3.14Å; H525-F528 WeakPolarHBondContact O-CB 3.3Å; H525-F528 PolarHBondContact O-N 2.68Å; H525-H543 AromaticContact NE2-ND1 3.91Å; H525-Y546 HydrophobicContact CB-CE2 4.2Å; H525-Y546 AromaticContact CD2-CD1 3.65Å; H525-Y546 AromaticContact CD2-CD2 3.91Å; H525-Y546 AromaticContact CD2-CE1 3.68Å; H525-Y546 AromaticContact CD2-CE2 3.93Å; H525-Y546 AromaticContact CD2-CG 3.79Å; H525-Y546 AromaticContact CD2-CZ 3.84Å; H525-R555 HydrophobicContact CB-CB 3.86Å
526	S	92.4	Very high	87.6	Confident	106 Å²	106	58.5 Å²	58.5	74%	0.741	34%	0.336	S	S	*	.	G	3₁₀ helix	trans	-59	-24.2	178.1	49.3	0	0	0	0	114.2	P524 F528	P524-S526 PolarHBondContact O-N 2.78Å; S526-F528 VanDerWaalsContact C-N 3.33Å
527	C	94.5	Very high	89.7	Confident	37 Å²	37	55.3 Å²	55.3	25%	0.25	30%	0.301	C	S	.	.	G	3₁₀ helix	trans	-79.6	-10.9	177	-62.7	0	0	0	0	113.4	F508 I523 P524 H525 G529 Q530 V531	F508-C527 HydrophobicContact CE2-CB 4.14Å; I523-C527 HydrophobicContact CG2-CB 3.96Å; P524-C527 WeakPolarHBondContact O-CB 3.44Å; P524-C527 PolarHBondContact O-N 2.92Å; H525-C527 PolarHBondContact O-N 3.18Å; H525-C527 VanDerWaalsContact O-N 3.14Å; C527-G529 PolarHBondContact O-N 3.33Å; C527-Q530 WeakPolarHBondContact O-CA 3.22Å; C527-Q530 WeakPolarHBondContact O-CB 3.43Å; C527-Q530 PolarHBondContact O-N 2.89Å; C527-V531 PolarHBondContact O-N 3.26Å
528	F	95.9	Very high	91.5	Very high	3 Å²	3	49.4 Å²	49.4	1%	0.013	28%	0.278	C	S	.	.	H	α-helix	trans	-68.4	-18.2	-171.3	-87.5	-102.3	0	0	0	114.9	I523 P524 H525 S526 Q530 V531 A532 K542 I545 Y546 A549 V558 L563	I523-F528 HydrophobicContact CB-CE2 4Å; I523-F528 HydrophobicContact CB-CZ 4.45Å; I523-F528 HydrophobicContact CG2-CD2 4.06Å; I523-F528 HydrophobicContact CG2-CE2 3.53Å; I523-F528 HydrophobicContact CG2-CZ 4.18Å; P524-F528 WeakPolarHBondContact O-CD2 3.27Å; H525-F528 WeakPolarHBondContact O-CB 3.3Å; H525-F528 PolarHBondContact O-N 2.68Å; S526-F528 VanDerWaalsContact C-N 3.33Å; F528-Q530 VanDerWaalsContact C-N 3.34Å; F528-V531 HydrophobicContact CD1-CB 4.11Å; F528-V531 HydrophobicContact CD1-CG1 4.18Å; F528-V531 HydrophobicContact CD1-CG2 4.24Å; F528-V531 HydrophobicContact CD2-CG2 4.41Å; F528-V531 HydrophobicContact CE1-CG1 4.26Å; F528-V531 HydrophobicContact CE1-CG2 4.45Å; F528-V531 HydrophobicContact CG-CB 4.37Å; F528-V531 HydrophobicContact CG-CG2 4.22Å; F528-V531 PolarHBondContact O-N 3.27Å; F528-A532 WeakPolarHBondContact O-CB 3.37Å; F528-A532 PolarHBondContact O-N 3.28Å; F528-K542 HydrophobicContact CB-CB 4.13Å; F528-K542 WeakPolarHBondContact O-CB 3.42Å; F528-I545 HydrophobicContact CD1-CG2 4.02Å; F528-I545 HydrophobicContact CE1-CG2 4.1Å; F528-Y546 HydrophobicContact CD1-CD2 4.3Å; F528-Y546 AromaticContact CD2-CD2 3.8Å; F528-Y546 HydrophobicContact CD2-CD2 3.8Å; F528-Y546 HydrophobicContact CE1-CD2 4.18Å; F528-Y546 AromaticContact CE2-CD2 3.68Å; F528-Y546 HydrophobicContact CE2-CD2 3.68Å; F528-Y546 HydrophobicContact CE2-CE2 4.35Å; F528-Y546 HydrophobicContact CG-CD2 4.12Å; F528-Y546 HydrophobicContact CG-CG 4.5Å; F528-Y546 AromaticContact CZ-CD2 3.88Å; F528-Y546 HydrophobicContact CZ-CD2 3.88Å; F528-A549 HydrophobicContact CE1-CB 4.44Å; F528-V558 HydrophobicContact CE2-CB 4.46Å; F528-V558 HydrophobicContact CZ-CB 4.08Å; F528-V558 HydrophobicContact CZ-CG1 4.47Å; F528-V558 HydrophobicContact CZ-CG2 4.49Å; F528-L563 HydrophobicContact CE1-CD1 4.19Å
529	G	95.3	Very high	93.3	Very high	15 Å²	15	44.6 Å²	44.6	16%	0.155	26%	0.261	C	S	.	.	H	α-helix	trans	-66.1	-34.3	167	0	0	0	0	0	113.3	C527	C527-G529 PolarHBondContact O-N 3.33Å
530	Q	95	Very high	94.4	Very high	95 Å²	95	38.4 Å²	38.4	44%	0.444	22%	0.217	S	C	.	.	H	α-helix	trans	-78.1	-34.6	172.1	-174.2	60.9	21.3	0	0	111.4	F508 C527 F528 K533 V534	F508-Q530 HydrophobicContact CD1-CG 3.99Å; F508-Q530 HydrophobicContact CE1-CG 3.67Å; F508-Q530 HydrophobicContact CE2-CG 4.4Å; F508-Q530 HydrophobicContact CG-CG 4.45Å; F508-Q530 HydrophobicContact CZ-CB 4.28Å; F508-Q530 HydrophobicContact CZ-CG 3.9Å; C527-Q530 WeakPolarHBondContact O-CA 3.22Å; C527-Q530 WeakPolarHBondContact O-CB 3.43Å; C527-Q530 PolarHBondContact O-N 2.89Å; F528-Q530 VanDerWaalsContact C-N 3.34Å; Q530-K533 PolarHBondContact O-N 3.24Å; Q530-V534 WeakPolarHBondContact O-CG2 3.45Å; Q530-V534 PolarHBondContact O-N 2.68Å
531	V	96.9	Very high	95	Very high	0 Å²	0	37 Å²	37	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-58.2	-47.9	171.1	178.4	0	0	0	0	110.5	L505 F508 I523 C527 F528 K533 V534 L535 I545 L563	L505-V531 HydrophobicContact CD2-CB 4.45Å; L505-V531 HydrophobicContact CD2-CG1 4.39Å; L505-V531 HydrophobicContact CD2-CG2 3.97Å; F508-V531 HydrophobicContact CZ-CG2 4.28Å; I523-V531 HydrophobicContact CG2-CG2 3.97Å; C527-V531 PolarHBondContact O-N 3.26Å; F528-V531 HydrophobicContact CD1-CB 4.11Å; F528-V531 HydrophobicContact CD1-CG1 4.18Å; F528-V531 HydrophobicContact CD1-CG2 4.24Å; F528-V531 HydrophobicContact CD2-CG2 4.41Å; F528-V531 HydrophobicContact CE1-CG1 4.26Å; F528-V531 HydrophobicContact CE1-CG2 4.45Å; F528-V531 HydrophobicContact CG-CB 4.37Å; F528-V531 HydrophobicContact CG-CG2 4.22Å; F528-V531 PolarHBondContact O-N 3.27Å; V531-K533 VanDerWaalsContact C-N 3.31Å; V531-K533 PolarHBondContact O-N 3.04Å; V531-V534 CarbonylContact O-C 3.58Å; V531-V534 PolarHBondContact O-N 3.14Å; V531-V534 VanDerWaalsContact O-N 3.1Å; V531-L535 HydrophobicContact CG1-CD1 3.98Å; V531-L535 HydrophobicContact CG1-CG 4.02Å; V531-L535 WeakPolarHBondContact O-CG 3.38Å; V531-L535 PolarHBondContact O-N 2.79Å; V531-I545 HydrophobicContact CG1-CG2 4.1Å; V531-L563 HydrophobicContact CG1-CD1 4.16Å; V531-L563 HydrophobicContact CG1-CD2 3.66Å; V531-L563 HydrophobicContact CG2-CD2 4.43Å
532	A	97.1	Very high	95.4	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-53.6	-47.8	178.4	0	0	0	0	0	111.8	F528 V534 L535 N536 C537 K542 I545	F528-A532 WeakPolarHBondContact O-CB 3.37Å; F528-A532 PolarHBondContact O-N 3.28Å; A532-V534 PolarHBondContact O-N 3.07Å; A532-L535 CarbonylContact O-C 3.57Å; A532-L535 PolarHBondContact O-N 3.36Å; A532-L535 VanDerWaalsContact O-N 3.14Å; A532-N536 PolarHBondContact O-N 3.46Å; A532-C537 CarbonylContact C-O 3.42Å; A532-C537 HydrophobicContact CB-CB 4.49Å; A532-C537 PolarHBondContact O-N 3.29Å; A532-C537 VanDerWaalsContact O-O 3.12Å; A532-K542 HydrophobicContact CB-CB 4.43Å; A532-I545 HydrophobicContact CB-CD1 3.88Å
533	K	95.8	Very high	95.6	Very high	111 Å²	111	33.9 Å²	33.9	48%	0.483	19%	0.188	S	C	.	.	H	α-helix	trans	-60.6	-44.8	175.8	-67.3	-178	178.8	-172.8	0	112.5	Q530 V531 L535 N536	Q530-K533 PolarHBondContact O-N 3.24Å; V531-K533 VanDerWaalsContact C-N 3.31Å; V531-K533 PolarHBondContact O-N 3.04Å; K533-L535 VanDerWaalsContact C-N 3.29Å; K533-L535 PolarHBondContact O-N 2.92Å; K533-N536 PolarHBondContact O-N 3.01Å
534	V	96.5	Very high	95.7	Very high	6 Å²	6	34 Å²	34	4%	0.036	19%	0.189	C	C	.	.	H	α-helix	trans	-64.3	-31.2	175.3	169.3	0	0	0	0	112.4	R500 V501 E504 L505 F508 Q530 V531 A532 N536	R500-V534 PolarHBondContact NH1-O 3.47Å; R500-V534 VanDerWaalsContact NH1-O 3.07Å; R500-V534 PolarHBondContact NH2-O 3.3Å; V501-V534 HydrophobicContact CB-CG1 4.45Å; V501-V534 HydrophobicContact CG1-CG1 4.27Å; V501-V534 HydrophobicContact CG2-CG1 4.43Å; E504-V534 HydrophobicContact CB-CG1 3.65Å; E504-V534 HydrophobicContact CB-CG2 4.02Å; L505-V534 HydrophobicContact CD2-CB 4.32Å; L505-V534 HydrophobicContact CD2-CG1 4.06Å; L505-V534 HydrophobicContact CG-CG1 4.05Å; F508-V534 HydrophobicContact CE1-CG2 4.15Å; Q530-V534 WeakPolarHBondContact O-CG2 3.45Å; Q530-V534 PolarHBondContact O-N 2.68Å; V531-V534 CarbonylContact O-C 3.58Å; V531-V534 PolarHBondContact O-N 3.14Å; V531-V534 VanDerWaalsContact O-N 3.1Å; A532-V534 PolarHBondContact O-N 3.07Å; V534-N536 PolarHBondContact O-N 3.01Å
535	L	96.3	Very high	95.9	Very high	2 Å²	2	31.5 Å²	31.5	1%	0.01	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.8	8.4	173.6	-60.3	-169.7	0	0	0	113.8	V501 V531 A532 K533 C537 I545 L563 W567	V501-L535 HydrophobicContact CB-CD2 4.24Å; V501-L535 HydrophobicContact CG1-CD2 3.44Å; V501-L535 VanDerWaalsContact CG1-CD2 3.44Å; V501-L535 HydrophobicContact CG2-CD2 3.67Å; V531-L535 HydrophobicContact CG1-CD1 3.98Å; V531-L535 HydrophobicContact CG1-CG 4.02Å; V531-L535 WeakPolarHBondContact O-CG 3.38Å; V531-L535 PolarHBondContact O-N 2.79Å; A532-L535 CarbonylContact O-C 3.57Å; A532-L535 PolarHBondContact O-N 3.36Å; A532-L535 VanDerWaalsContact O-N 3.14Å; K533-L535 VanDerWaalsContact C-N 3.29Å; K533-L535 PolarHBondContact O-N 2.92Å; L535-C537 PolarHBondContact O-N 3.05Å; L535-C537 PolarHBondContact O-SG 2.73Å; L535-C537 VanDerWaalsContact O-SG 3.39Å; L535-I545 HydrophobicContact CD1-CD1 4.26Å; L535-I545 HydrophobicContact CD1-CG1 4.46Å; L535-I545 HydrophobicContact CD1-CG2 3.64Å; L535-L563 HydrophobicContact CD1-CD1 4.36Å; L535-W567 HydrophobicContact CB-CH2 4.31Å; L535-W567 HydrophobicContact CB-CZ2 3.94Å; L535-W567 HydrophobicContact CD1-CD2 3.88Å; L535-W567 HydrophobicContact CD1-CE3 3.89Å; L535-W567 HydrophobicContact CD1-CG 4.29Å; L535-W567 HydrophobicContact CD1-CZ3 4.26Å; L535-W567 HydrophobicContact CD2-CD2 4.16Å; L535-W567 HydrophobicContact CD2-CG 4.02Å; L535-W567 HydrophobicContact CG-CD2 4.44Å; L535-W567 WeakPolarHBondContact O-CZ2 3.26Å
536	N	95.3	Very high	96.1	Very high	120 Å²	120	29.9 Å²	29.9	64%	0.642	17%	0.165	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.4	39.1	-174	-60.5	-62.4	0	0	0	113.1	E497 R500 A532 K533 V534	E497-N536 PolarHBondContact OE1-ND2 3.36Å; R500-N536 PolarHBondContact NH2-ND2 3.45Å; A532-N536 PolarHBondContact O-N 3.46Å; K533-N536 PolarHBondContact O-N 3.01Å; V534-N536 PolarHBondContact O-N 3.01Å
537	C	96.9	Very high	96.2	Very high	12 Å²	12	25.9 Å²	25.9	8%	0.081	14%	0.135	C	C	.	.			trans	-114.5	147.2	176.2	-61.9	0	0	0	0	110.7	A532 L535 W541 I545 W567	A532-C537 CarbonylContact C-O 3.42Å; A532-C537 HydrophobicContact CB-CB 4.49Å; A532-C537 PolarHBondContact O-N 3.29Å; A532-C537 VanDerWaalsContact O-O 3.12Å; L535-C537 PolarHBondContact O-N 3.05Å; L535-C537 PolarHBondContact O-SG 2.73Å; L535-C537 VanDerWaalsContact O-SG 3.39Å; C537-W541 HydrophobicContact CB-CB 4.08Å; C537-W541 HydrophobicContact CB-CD2 4.17Å; C537-W541 HydrophobicContact CB-CE3 3.96Å; C537-W541 HydrophobicContact CB-CG 4.26Å; C537-I545 HydrophobicContact CB-CD1 3.93Å; C537-W567 VanDerWaalsContact SG-CH2 3.53Å
538	P	96.9	Very high	96.3	Very high	21 Å²	21	25.3 Å²	25.3	14%	0.136	13%	0.129	C	C	.	.			trans	-57.8	148.6	173.6	-22.4	32.5	0	0	0	112.6	Y540 W541 A660	P538-Y540 VanDerWaalsContact C-N 3.32Å; P538-Y540 PolarHBondContact O-N 2.98Å; P538-Y540 VanDerWaalsContact O-N 3.11Å; P538-W541 WeakPolarHBondContact O-CB 3.42Å; P538-W541 PolarHBondContact O-N 3.19Å; P538-A660 HydrophobicContact CB-CB 3.93Å; P538-A660 HydrophobicContact CG-CB 3.75Å
539	L	97.4	Very high	96.3	Very high	37 Å²	37	25.3 Å²	25.3	19%	0.194	13%	0.13	C	C	.	.	G	3₁₀ helix	trans	-45.8	-48.2	-173.6	176.5	62.3	0	0	0	114.4	W541 K542 E663	L539-W541 PolarHBondContact O-N 3.24Å; L539-W541 VanDerWaalsContact O-N 3.16Å; L539-K542 HydrophobicContact CD1-CD 4.25Å; L539-K542 WeakPolarHBondContact O-CB 3.2Å; L539-K542 WeakPolarHBondContact O-CD 3.41Å; L539-K542 VanDerWaalsContact O-CG 3.25Å; L539-K542 WeakPolarHBondContact O-CG 3.45Å; L539-K542 PolarHBondContact O-N 3.21Å; L539-E663 HydrophobicContact CB-CB 3.72Å; L539-E663 WeakPolarHBondContact CB-OE2 3.28Å; L539-E663 HydrophobicContact CD2-CB 4.14Å; L539-E663 PolarHBondContact N-OE2 3.37Å
540	Y	97.2	Very high	96.2	Very high	7 Å²	7	27.1 Å²	27.1	3%	0.027	15%	0.149	C	C	.	.	G	3₁₀ helix	trans	-75.1	0.7	-174.8	-62.7	-78.3	0	0	0	114.4	P538 K542 L601 I605 H609 L662 E663	P538-Y540 VanDerWaalsContact C-N 3.32Å; P538-Y540 PolarHBondContact O-N 2.98Å; P538-Y540 VanDerWaalsContact O-N 3.11Å; Y540-K542 PolarHBondContact O-N 2.76Å; Y540-L601 WeakPolarHBondContact O-CD1 3.37Å; Y540-I605 HydrophobicContact CD1-CB 4.3Å; Y540-I605 HydrophobicContact CD1-CG1 3.61Å; Y540-I605 HydrophobicContact CE1-CG1 4.32Å; Y540-I605 HydrophobicContact CG-CG1 3.97Å; Y540-H609 AromaticContact CZ-CD2 3.76Å; Y540-H609 PolarHBondContact OH-CD2 3.37Å; Y540-L662 HydrophobicContact CD2-CB 3.71Å; Y540-L662 HydrophobicContact CD2-CD1 4.41Å; Y540-L662 HydrophobicContact CE2-CB 3.49Å; Y540-L662 VanDerWaalsContact CE2-CB 3.49Å; Y540-L662 WeakPolarHBondContact CE2-O 3.42Å; Y540-E663 HydrophobicContact CE2-CB 4.28Å
541	W	97.4	Very high	96.2	Very high	4 Å²	4	23 Å²	23	2%	0.015	13%	0.132	C	C	.	.	G	3₁₀ helix	trans	-74.1	-12	164.7	-69.8	39	0	0	0	112.2	C537 P538 L539 H543 A544 I545 E577 K580 F581 L584 L656	C537-W541 HydrophobicContact CB-CB 4.08Å; C537-W541 HydrophobicContact CB-CD2 4.17Å; C537-W541 HydrophobicContact CB-CE3 3.96Å; C537-W541 HydrophobicContact CB-CG 4.26Å; P538-W541 WeakPolarHBondContact O-CB 3.42Å; P538-W541 PolarHBondContact O-N 3.19Å; L539-W541 PolarHBondContact O-N 3.24Å; L539-W541 VanDerWaalsContact O-N 3.16Å; W541-H543 VanDerWaalsContact C-N 3.33Å; W541-H543 PolarHBondContact O-N 2.89Å; W541-A544 PolarHBondContact O-N 2.95Å; W541-I545 HydrophobicContact CB-CD1 3.82Å; W541-I545 HydrophobicContact CB-CG1 4.36Å; W541-I545 VanDerWaalsContact O-CG1 3.32Å; W541-I545 WeakPolarHBondContact O-CG1 3.38Å; W541-I545 PolarHBondContact O-N 3.13Å; W541-E577 HydrophobicContact CH2-CG 3.53Å; W541-E577 HydrophobicContact CZ2-CG 3.66Å; W541-K580 HydrophobicContact CH2-CB 4.36Å; W541-K580 HydrophobicContact CZ3-CB 4.06Å; W541-F581 HydrophobicContact CD2-CD2 4.14Å; W541-F581 AromaticContact CE2-CD2 3.69Å; W541-F581 HydrophobicContact CH2-CB 3.77Å; W541-F581 HydrophobicContact CH2-CD2 4.27Å; W541-F581 HydrophobicContact CZ2-CB 3.95Å; W541-F581 AromaticContact CZ2-CD2 3.77Å; W541-F581 HydrophobicContact CZ2-CD2 3.77Å; W541-F581 HydrophobicContact CZ2-CG 4.28Å; W541-F581 HydrophobicContact CZ3-CB 4.35Å; W541-F581 AromaticContact NE1-CD2 3.97Å; W541-L584 HydrophobicContact CE3-CD1 3.53Å; W541-L584 HydrophobicContact CZ3-CD1 3.8Å; W541-L656 HydrophobicContact CZ2-CD2 4.4Å
542	K	96.6	Very high	96	Very high	27 Å²	27	25.5 Å²	25.5	12%	0.117	15%	0.147	C	C	.	.	H	α-helix	trans	-45.2	-47.5	-177.4	63.4	-165.3	179.1	-167.2	0	114.3	F528 A532 L539 Y540 I545 Y546 D604 S608	F528-K542 HydrophobicContact CB-CB 4.13Å; F528-K542 WeakPolarHBondContact O-CB 3.42Å; A532-K542 HydrophobicContact CB-CB 4.43Å; L539-K542 HydrophobicContact CD1-CD 4.25Å; L539-K542 WeakPolarHBondContact O-CB 3.2Å; L539-K542 WeakPolarHBondContact O-CD 3.41Å; L539-K542 VanDerWaalsContact O-CG 3.25Å; L539-K542 WeakPolarHBondContact O-CG 3.45Å; L539-K542 PolarHBondContact O-N 3.21Å; Y540-K542 PolarHBondContact O-N 2.76Å; K542-I545 PolarHBondContact O-N 3.42Å; K542-Y546 VanDerWaalsContact O-CB 3.32Å; K542-Y546 WeakPolarHBondContact O-CB 3.45Å; K542-Y546 PolarHBondContact O-N 3.43Å; K542-D604 VanDerWaalsContact CE-OD1 3.27Å; K542-D604 WeakPolarHBondContact CE-OD1 3.36Å; K542-D604 WeakPolarHBondContact CE-OD2 3.34Å; K542-D604 VanDerWaalsContact CG-OD2 3.32Å; K542-D604 WeakPolarHBondContact CG-OD2 3.13Å; K542-D604 IonicContact NZ-OD2 2.67Å; K542-S608 PolarHBondContact NZ-OG 2.86Å
543	H	94.4	Very high	95.6	Very high	18 Å²	18	30.9 Å²	30.9	8%	0.083	18%	0.182	C	C	.	.	H	α-helix	trans	-72.5	-38.1	-178.7	-172.2	87.9	0	0	0	112.7	H525 W541 I545 Y546 M547 D604	H525-H543 AromaticContact NE2-ND1 3.91Å; W541-H543 VanDerWaalsContact C-N 3.33Å; W541-H543 PolarHBondContact O-N 2.89Å; H543-I545 VanDerWaalsContact C-N 3.34Å; H543-I545 PolarHBondContact O-N 2.94Å; H543-Y546 PolarHBondContact O-N 3.44Å; H543-M547 VanDerWaalsContact NE2-CG 3.34Å; H543-M547 WeakPolarHBondContact NE2-CG 3.21Å; H543-M547 WeakPolarHBondContact O-CG 3.32Å; H543-M547 PolarHBondContact O-N 3.48Å; H543-D604 HydrophobicContact CB-CB 3.68Å; H543-D604 VanDerWaalsContact CB-CG 3.49Å
544	A	96.1	Very high	95.4	Very high	2 Å²	2	30.4 Å²	30.4	2%	0.017	19%	0.185	C	C	.	.	H	α-helix	trans	-64.3	-40.5	174.8	0	0	0	0	0	111.4	W541 N548 L584 L585	W541-A544 PolarHBondContact O-N 2.95Å; A544-N548 VanDerWaalsContact O-CB 3.28Å; A544-N548 WeakPolarHBondContact O-CB 3.46Å; A544-N548 PolarHBondContact O-N 2.84Å; A544-L584 HydrophobicContact CB-CB 3.9Å; A544-L585 HydrophobicContact CB-CD2 3.7Å; A544-L585 HydrophobicContact CB-CG 4.34Å
545	I	97.3	Very high	95.1	Very high	3 Å²	3	35.1 Å²	35.1	2%	0.015	20%	0.202	C	C	.	.	H	α-helix	trans	-63.6	-46.7	173.4	-65.4	162.6	0	0	0	110.6	F528 V531 A532 L535 C537 W541 K542 H543 N548 A549 L563 L584	F528-I545 HydrophobicContact CD1-CG2 4.02Å; F528-I545 HydrophobicContact CE1-CG2 4.1Å; V531-I545 HydrophobicContact CG1-CG2 4.1Å; A532-I545 HydrophobicContact CB-CD1 3.88Å; L535-I545 HydrophobicContact CD1-CD1 4.26Å; L535-I545 HydrophobicContact CD1-CG1 4.46Å; L535-I545 HydrophobicContact CD1-CG2 3.64Å; C537-I545 HydrophobicContact CB-CD1 3.93Å; W541-I545 HydrophobicContact CB-CD1 3.82Å; W541-I545 HydrophobicContact CB-CG1 4.36Å; W541-I545 VanDerWaalsContact O-CG1 3.32Å; W541-I545 WeakPolarHBondContact O-CG1 3.38Å; W541-I545 PolarHBondContact O-N 3.13Å; K542-I545 PolarHBondContact O-N 3.42Å; H543-I545 VanDerWaalsContact C-N 3.34Å; H543-I545 PolarHBondContact O-N 2.94Å; I545-N548 PolarHBondContact O-N 3.22Å; I545-A549 VanDerWaalsContact O-CB 3.28Å; I545-A549 WeakPolarHBondContact O-CB 3.45Å; I545-A549 PolarHBondContact O-N 3.32Å; I545-L563 HydrophobicContact CG2-CD1 3.99Å; I545-L584 HydrophobicContact CG1-CD1 4.05Å; I545-L584 HydrophobicContact CG1-CD2 4.41Å
546	Y	96.8	Very high	95	Very high	1 Å²	1	39.9 Å²	39.9	0%	0.004	22%	0.224	C	C	.	.	H	α-helix	trans	-57.1	-53.2	177	173.8	-102.1	0	0	0	112.2	H525 F528 K542 H543 N548 A549 G551 T552 R555 Q556 V558	H525-Y546 HydrophobicContact CB-CE2 4.2Å; H525-Y546 AromaticContact CD2-CD1 3.65Å; H525-Y546 AromaticContact CD2-CD2 3.91Å; H525-Y546 AromaticContact CD2-CE1 3.68Å; H525-Y546 AromaticContact CD2-CE2 3.93Å; H525-Y546 AromaticContact CD2-CG 3.79Å; H525-Y546 AromaticContact CD2-CZ 3.84Å; F528-Y546 HydrophobicContact CD1-CD2 4.3Å; F528-Y546 AromaticContact CD2-CD2 3.8Å; F528-Y546 HydrophobicContact CD2-CD2 3.8Å; F528-Y546 HydrophobicContact CE1-CD2 4.18Å; F528-Y546 AromaticContact CE2-CD2 3.68Å; F528-Y546 HydrophobicContact CE2-CD2 3.68Å; F528-Y546 HydrophobicContact CE2-CE2 4.35Å; F528-Y546 HydrophobicContact CG-CD2 4.12Å; F528-Y546 HydrophobicContact CG-CG 4.5Å; F528-Y546 AromaticContact CZ-CD2 3.88Å; F528-Y546 HydrophobicContact CZ-CD2 3.88Å; K542-Y546 VanDerWaalsContact O-CB 3.32Å; K542-Y546 WeakPolarHBondContact O-CB 3.45Å; K542-Y546 PolarHBondContact O-N 3.43Å; H543-Y546 PolarHBondContact O-N 3.44Å; Y546-N548 VanDerWaalsContact C-N 3.35Å; Y546-N548 PolarHBondContact O-N 3.38Å; Y546-A549 PolarHBondContact O-N 2.9Å; Y546-A549 VanDerWaalsContact O-N 3.16Å; Y546-G551 VanDerWaalsContact CE1-CA 3.46Å; Y546-G551 WeakPolarHBondContact O-CA 3.34Å; Y546-G551 PolarHBondContact O-N 3.11Å; Y546-G551 WeakPolarHBondContact OH-CA 3.48Å; Y546-T552 WeakPolarHBondContact CE1-O 3.45Å; Y546-T552 PolarHBondContact OH-N 2.76Å; Y546-T552 PolarHBondContact OH-O 3.44Å; Y546-R555 WeakPolarHBondContact OH-CA 3.38Å; Y546-Q556 WeakPolarHBondContact CE2-O 3.44Å; Y546-Q556 PolarHBondContact OH-N 3.26Å; Y546-Q556 PolarHBondContact OH-O 3.03Å; Y546-V558 HydrophobicContact CD2-CG2 4.02Å; Y546-V558 HydrophobicContact CE2-CG2 3.61Å
547	M	95.4	Very high	94.9	Very high	23 Å²	23	37 Å²	37	11%	0.113	21%	0.212	C	C	.	.	H	α-helix	trans	-66.7	-34.1	-179.5	-65.8	-59.8	-72.8	0	0	112.4	H543 A549 G550 R587	H543-M547 VanDerWaalsContact NE2-CG 3.34Å; H543-M547 WeakPolarHBondContact NE2-CG 3.21Å; H543-M547 WeakPolarHBondContact O-CG 3.32Å; H543-M547 PolarHBondContact O-N 3.48Å; M547-A549 VanDerWaalsContact C-N 3.34Å; M547-G550 PolarHBondContact O-N 2.92Å; M547-R587 WeakPolarHBondContact O-CD 3.43Å
548	N	95.3	Very high	94.8	Very high	24 Å²	24	36.8 Å²	36.8	13%	0.128	21%	0.21	C	C	.	.	H	α-helix	trans	-75.2	-21.7	174.7	-160.1	58.5	0	0	0	113.4	A544 I545 Y546 G550 S566 T570 L584 R587	A544-N548 VanDerWaalsContact O-CB 3.28Å; A544-N548 WeakPolarHBondContact O-CB 3.46Å; A544-N548 PolarHBondContact O-N 2.84Å; I545-N548 PolarHBondContact O-N 3.22Å; Y546-N548 VanDerWaalsContact C-N 3.35Å; Y546-N548 PolarHBondContact O-N 3.38Å; N548-G550 PolarHBondContact O-N 2.96Å; N548-S566 VanDerWaalsContact C-OG 3.24Å; N548-S566 PolarHBondContact ND2-OG 3.47Å; N548-S566 WeakPolarHBondContact O-CB 3.45Å; N548-S566 PolarHBondContact O-OG 2.68Å; N548-T570 PolarHBondContact ND2-OG1 3.06Å; N548-L584 HydrophobicContact CB-CD2 3.73Å; N548-R587 HydrophobicContact CB-CG 4.38Å; N548-R587 WeakPolarHBondContact OD1-CA 3.45Å
549	A	96.2	Very high	94.7	Very high	4 Å²	4	37.4 Å²	37.4	3%	0.033	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.4	2.2	172.7	0	0	0	0	0	113.5	F528 I545 Y546 M547 V558 N562 L563	F528-A549 HydrophobicContact CE1-CB 4.44Å; I545-A549 VanDerWaalsContact O-CB 3.28Å; I545-A549 WeakPolarHBondContact O-CB 3.45Å; I545-A549 PolarHBondContact O-N 3.32Å; Y546-A549 PolarHBondContact O-N 2.9Å; Y546-A549 VanDerWaalsContact O-N 3.16Å; M547-A549 VanDerWaalsContact C-N 3.34Å; A549-V558 HydrophobicContact CB-CG1 3.83Å; A549-V558 VanDerWaalsContact O-CG1 3.28Å; A549-V558 WeakPolarHBondContact O-CG1 3.39Å; A549-N562 WeakPolarHBondContact O-CB 3.46Å; A549-L563 HydrophobicContact CB-CB 4.2Å; A549-L563 HydrophobicContact CB-CD1 3.75Å
550	G	94	Very high	94.6	Very high	53 Å²	53	36.1 Å²	36.1	55%	0.546	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	94.4	16.6	-177.8	0	0	0	0	0	114.2	M547 N548	M547-G550 PolarHBondContact O-N 2.92Å; N548-G550 PolarHBondContact O-N 2.96Å
551	G	93.6	Very high	94.4	Very high	9 Å²	9	38.9 Å²	38.9	9%	0.093	23%	0.227	C	C	.	.			trans	-62.4	161.2	171	0	0	0	0	0	113.9	Y546	Y546-G551 VanDerWaalsContact CE1-CA 3.46Å; Y546-G551 WeakPolarHBondContact O-CA 3.34Å; Y546-G551 PolarHBondContact O-N 3.11Å; Y546-G551 WeakPolarHBondContact OH-CA 3.48Å
552	T	93.2	Very high	94.3	Very high	51 Å²	51	42.4 Å²	42.4	31%	0.313	25%	0.246	S	C	.	.			trans	-126.6	155.9	-174.5	58.2	0	0	0	0	111.5	Y546 D554 R555 Q556	Y546-T552 WeakPolarHBondContact CE1-O 3.45Å; Y546-T552 PolarHBondContact OH-N 2.76Å; Y546-T552 PolarHBondContact OH-O 3.44Å; T552-D554 WeakPolarHBondContact CB-OD1 3.34Å; T552-D554 PolarHBondContact O-N 2.75Å; T552-D554 VanDerWaalsContact O-N 3.12Å; T552-D554 PolarHBondContact OG1-OD1 3.48Å; T552-R555 PolarHBondContact O-N 3.02Å; T552-Q556 WeakPolarHBondContact OG1-CG 3.38Å
553	P	89	Confident	94.3	Very high	113 Å²	113	41.2 Å²	41.2	73%	0.734	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.5	-27.9	-176.5	-26.3	36.2	0	0	0	114.6	R555	P553-R555 PolarHBondContact O-N 3.14Å
554	D	91.2	Very high	94.4	Very high	101 Å²	101	41.7 Å²	41.7	54%	0.54	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.6	14	175	64.9	-43.2	0	0	0	114.1	T552 Q556	T552-D554 WeakPolarHBondContact CB-OD1 3.34Å; T552-D554 PolarHBondContact O-N 2.75Å; T552-D554 VanDerWaalsContact O-N 3.12Å; T552-D554 PolarHBondContact OG1-OD1 3.48Å; D554-Q556 VanDerWaalsContact C-N 3.31Å; D554-Q556 PolarHBondContact O-N 3.5Å; D554-Q556 VanDerWaalsContact OD2-CG 3.24Å; D554-Q556 WeakPolarHBondContact OD2-CG 3.16Å; D554-Q556 PolarHBondContact OD2-NE2 2.91Å
555	R	91.7	Very high	94.4	Very high	106 Å²	106	49 Å²	49	40%	0.4	28%	0.276	S	S	.	.			trans	62.2	28.8	167.1	-58.2	-177	-179.5	179.9	0.1	115	H525 Y546 T552 P553 E607	H525-R555 HydrophobicContact CB-CB 3.86Å; Y546-R555 WeakPolarHBondContact OH-CA 3.38Å; T552-R555 PolarHBondContact O-N 3.02Å; P553-R555 PolarHBondContact O-N 3.14Å; R555-E607 IonicContact CZ-OE2 2.97Å; R555-E607 IonicContact NH1-OE2 2.72Å; R555-E607 PolarHBondContact NH1-OE2 3.43Å; R555-E607 IonicContact NH2-OE1 3.89Å; R555-E607 PolarHBondContact NH2-OE1 3Å; R555-E607 IonicContact NH2-OE2 2.76Å; R555-E607 PolarHBondContact NH2-OE2 2.88Å
556	Q	93.3	Very high	94.4	Very high	101 Å²	101	49.8 Å²	49.8	47%	0.472	28%	0.281	S	S	.	.			trans	-59.5	147.3	177.4	-62.1	-60.5	-22.5	0	0	112.8	Y546 T552 D554	Y546-Q556 WeakPolarHBondContact CE2-O 3.44Å; Y546-Q556 PolarHBondContact OH-N 3.26Å; Y546-Q556 PolarHBondContact OH-O 3.03Å; T552-Q556 WeakPolarHBondContact OG1-CG 3.38Å; D554-Q556 VanDerWaalsContact C-N 3.31Å; D554-Q556 PolarHBondContact O-N 3.5Å; D554-Q556 VanDerWaalsContact OD2-CG 3.24Å; D554-Q556 WeakPolarHBondContact OD2-CG 3.16Å; D554-Q556 PolarHBondContact OD2-NE2 2.91Å
557	P	93.9	Very high	94.4	Very high	61 Å²	61	49.9 Å²	49.9	40%	0.396	28%	0.282	S	S	.	.			trans	-61	142.2	175.1	-22.8	34	0	0	0	113.1	L522 I523	L522-P557 HydrophobicContact CB-CB 4.03Å; L522-P557 HydrophobicContact CD2-CB 4.39Å; I523-P557 CarbonylContact O-C 3.49Å; I523-P557 VanDerWaalsContact O-CA 3.27Å; I523-P557 WeakPolarHBondContact O-CA 3.37Å
558	V	94.9	Very high	94.4	Very high	7 Å²	7	50.4 Å²	50.4	4%	0.042	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	139	179.7	170.2	0	0	0	0	110	I523 F528 Y546 A549 N562	I523-V558 WeakPolarHBondContact CB-O 3.44Å; I523-V558 PolarHBondContact N-O 3.14Å; I523-V558 PolarHBondContact O-N 3.39Å; F528-V558 HydrophobicContact CE2-CB 4.46Å; F528-V558 HydrophobicContact CZ-CB 4.08Å; F528-V558 HydrophobicContact CZ-CG1 4.47Å; F528-V558 HydrophobicContact CZ-CG2 4.49Å; Y546-V558 HydrophobicContact CD2-CG2 4.02Å; Y546-V558 HydrophobicContact CE2-CG2 3.61Å; A549-V558 HydrophobicContact CB-CG1 3.83Å; A549-V558 VanDerWaalsContact O-CG1 3.28Å; A549-V558 WeakPolarHBondContact O-CG1 3.39Å; V558-N562 HydrophobicContact CG1-CB 4.27Å
559	T	94.2	Very high	94.4	Very high	33 Å²	33	54.2 Å²	54.2	20%	0.202	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	144.5	177.5	59.8	0	0	0	0	112.6	D520 P521 L522 S561 N562 L563	D520-T559 WeakPolarHBondContact OD2-CB 3.4Å; P521-T559 WeakPolarHBondContact O-CA 3.3Å; L522-T559 HydrophobicContact CD2-CG2 3.61Å; T559-S561 VanDerWaalsContact C-N 3.28Å; T559-S561 PolarHBondContact O-N 3.02Å; T559-N562 PolarHBondContact O-N 3.45Å; T559-N562 VanDerWaalsContact O-N 3.08Å; T559-N562 WeakPolarHBondContact OG1-CB 3.43Å; T559-N562 VanDerWaalsContact OG1-CG 3.3Å; T559-N562 PolarHBondContact OG1-N 3.39Å; T559-N562 PolarHBondContact OG1-ND2 3.06Å; T559-L563 PolarHBondContact O-N 3.19Å; T559-L563 VanDerWaalsContact O-N 3.15Å
560	L	94.1	Very high	94.3	Very high	11 Å²	11	54 Å²	54	6%	0.058	30%	0.303	C	S	.	.	H	α-helix	trans	-56.9	-39.6	177.2	177.4	61.8	0	0	0	111.9	L505 N506 D520 P521 I523 N562 L563 L564	L505-L560 HydrophobicContact CB-CD1 4.08Å; L505-L560 HydrophobicContact CD1-CD1 3.42Å; L505-L560 VanDerWaalsContact CD1-CD1 3.42Å; L505-L560 HydrophobicContact CG-CD1 4.4Å; N506-L560 WeakPolarHBondContact OD1-CD2 3.26Å; D520-L560 PolarHBondContact OD1-N 2.85Å; P521-L560 HydrophobicContact CB-CB 4.34Å; P521-L560 HydrophobicContact CG-CD2 4.1Å; P521-L560 PolarHBondContact O-N 2.75Å; I523-L560 HydrophobicContact CD1-CB 4.43Å; I523-L560 HydrophobicContact CD1-CD1 4.15Å; L560-N562 VanDerWaalsContact C-N 3.34Å; L560-N562 PolarHBondContact O-N 2.94Å; L560-L563 PolarHBondContact O-N 3.05Å; L560-L564 HydrophobicContact CD1-CD1 3.95Å; L560-L564 HydrophobicContact CD1-CG 4Å; L560-L564 HydrophobicContact CG-CD1 3.89Å; L560-L564 HydrophobicContact CG-CG 4.36Å; L560-L564 WeakPolarHBondContact O-CB 3.27Å; L560-L564 WeakPolarHBondContact O-CG 3.38Å; L560-L564 PolarHBondContact O-N 3.45Å
561	S	94.6	Very high	94.3	Very high	65 Å²	65	51.9 Å²	51.9	46%	0.455	28%	0.279	S	S	.	.	H	α-helix	trans	-62.6	-36.9	175.9	-54.3	0	0	0	0	113.5	D520 T559 K565	D520-S561 PolarHBondContact OD1-N 3.39Å; D520-S561 VanDerWaalsContact OD1-N 3.14Å; D520-S561 PolarHBondContact OD1-OG 2.9Å; D520-S561 WeakPolarHBondContact OD2-CB 3.41Å; D520-S561 PolarHBondContact OD2-N 3.07Å; D520-S561 PolarHBondContact OD2-OG 2.75Å; T559-S561 VanDerWaalsContact C-N 3.28Å; T559-S561 PolarHBondContact O-N 3.02Å; S561-K565 WeakPolarHBondContact O-CB 3.2Å; S561-K565 PolarHBondContact O-N 3.32Å
562	N	95.5	Very high	94.2	Very high	77 Å²	77	54.6 Å²	54.6	41%	0.412	29%	0.291	S	S	.	.	H	α-helix	trans	-69.9	-41.2	178.3	-79.8	-12.7	0	0	0	111.2	A549 V558 T559 L560 K565 S566	A549-N562 WeakPolarHBondContact O-CB 3.46Å; V558-N562 HydrophobicContact CG1-CB 4.27Å; T559-N562 PolarHBondContact O-N 3.45Å; T559-N562 VanDerWaalsContact O-N 3.08Å; T559-N562 WeakPolarHBondContact OG1-CB 3.43Å; T559-N562 VanDerWaalsContact OG1-CG 3.3Å; T559-N562 PolarHBondContact OG1-N 3.39Å; T559-N562 PolarHBondContact OG1-ND2 3.06Å; L560-N562 VanDerWaalsContact C-N 3.34Å; L560-N562 PolarHBondContact O-N 2.94Å; N562-K565 PolarHBondContact O-N 3.17Å; N562-S566 WeakPolarHBondContact O-CB 3.38Å; N562-S566 PolarHBondContact O-N 3.49Å
563	L	96.5	Very high	94.1	Very high	2 Å²	2	53.9 Å²	53.9	1%	0.01	29%	0.287	C	S	.	.	H	α-helix	trans	-60.3	-50.2	173.5	177.2	62.7	0	0	0	111.8	L505 I523 F528 V531 L535 I545 A549 T559 L560 K565 S566 W567	L505-L563 HydrophobicContact CD1-CD2 3.66Å; I523-L563 HydrophobicContact CD1-CD2 3.5Å; I523-L563 VanDerWaalsContact CD1-CD2 3.5Å; F528-L563 HydrophobicContact CE1-CD1 4.19Å; V531-L563 HydrophobicContact CG1-CD1 4.16Å; V531-L563 HydrophobicContact CG1-CD2 3.66Å; V531-L563 HydrophobicContact CG2-CD2 4.43Å; L535-L563 HydrophobicContact CD1-CD1 4.36Å; I545-L563 HydrophobicContact CG2-CD1 3.99Å; A549-L563 HydrophobicContact CB-CB 4.2Å; A549-L563 HydrophobicContact CB-CD1 3.75Å; T559-L563 PolarHBondContact O-N 3.19Å; T559-L563 VanDerWaalsContact O-N 3.15Å; L560-L563 PolarHBondContact O-N 3.05Å; L563-K565 PolarHBondContact O-N 3.36Å; L563-S566 PolarHBondContact O-N 2.89Å; L563-W567 WeakPolarHBondContact O-CB 3.4Å; L563-W567 PolarHBondContact O-N 3.38Å
564	L	96.6	Very high	94.3	Very high	29 Å²	29	48.9 Å²	48.9	15%	0.152	25%	0.254	C	S	.	.	H	α-helix	trans	-64.1	-39.9	179.7	-69.5	172.7	0	0	0	112.3	L498 V501 K502 L560 S568	L498-L564 HydrophobicContact CD2-CD2 4.25Å; V501-L564 HydrophobicContact CB-CD2 4.44Å; V501-L564 HydrophobicContact CG1-CD2 3.78Å; K502-L564 HydrophobicContact CB-CD1 4.02Å; K502-L564 HydrophobicContact CB-CD2 4.17Å; K502-L564 HydrophobicContact CD-CD1 3.98Å; K502-L564 HydrophobicContact CG-CD1 4.05Å; L560-L564 HydrophobicContact CD1-CD1 3.95Å; L560-L564 HydrophobicContact CD1-CG 4Å; L560-L564 HydrophobicContact CG-CD1 3.89Å; L560-L564 HydrophobicContact CG-CG 4.36Å; L560-L564 WeakPolarHBondContact O-CB 3.27Å; L560-L564 WeakPolarHBondContact O-CG 3.38Å; L560-L564 PolarHBondContact O-N 3.45Å; L564-S568 VanDerWaalsContact O-CB 3.22Å; L564-S568 WeakPolarHBondContact O-CB 3.25Å; L564-S568 PolarHBondContact O-N 3.03Å
565	K	96	Very high	94.3	Very high	155 Å²	155	44.7 Å²	44.7	67%	0.674	23%	0.233	S	C	*	.	H	α-helix	trans	-63.8	-43.5	174.8	179.6	-176	175.1	-171.9	0	112	S561 N562 L563 H569	S561-K565 WeakPolarHBondContact O-CB 3.2Å; S561-K565 PolarHBondContact O-N 3.32Å; N562-K565 PolarHBondContact O-N 3.17Å; L563-K565 PolarHBondContact O-N 3.36Å; K565-H569 PolarHBondContact O-N 3.48Å; K565-H569 VanDerWaalsContact O-N 3.1Å
566	S	96	Very high	94.4	Very high	19 Å²	19	41.5 Å²	41.5	13%	0.133	22%	0.224	C	C	.	.	H	α-helix	trans	-63.8	-47	176.7	177.6	0	0	0	0	111.7	N548 N562 L563 H569 T570	N548-S566 VanDerWaalsContact C-OG 3.24Å; N548-S566 PolarHBondContact ND2-OG 3.47Å; N548-S566 WeakPolarHBondContact O-CB 3.45Å; N548-S566 PolarHBondContact O-OG 2.68Å; N562-S566 WeakPolarHBondContact O-CB 3.38Å; N562-S566 PolarHBondContact O-N 3.49Å; L563-S566 PolarHBondContact O-N 2.89Å; S566-H569 PolarHBondContact O-N 3.01Å; S566-T570 PolarHBondContact O-N 2.73Å; S566-T570 PolarHBondContact O-OG1 3.1Å
567	W	96.7	Very high	94.4	Very high	4 Å²	4	41.1 Å²	41.1	2%	0.015	22%	0.222	C	C	.	.	H	α-helix	trans	-65.4	-41.5	177.9	-165.8	-124	0	0	0	112.1	L498 L535 C537 L563 H569 T570 L571	L498-W567 HydrophobicContact CD2-CB 4.41Å; L535-W567 HydrophobicContact CB-CH2 4.31Å; L535-W567 HydrophobicContact CB-CZ2 3.94Å; L535-W567 HydrophobicContact CD1-CD2 3.88Å; L535-W567 HydrophobicContact CD1-CE3 3.89Å; L535-W567 HydrophobicContact CD1-CG 4.29Å; L535-W567 HydrophobicContact CD1-CZ3 4.26Å; L535-W567 HydrophobicContact CD2-CD2 4.16Å; L535-W567 HydrophobicContact CD2-CG 4.02Å; L535-W567 HydrophobicContact CG-CD2 4.44Å; L535-W567 WeakPolarHBondContact O-CZ2 3.26Å; C537-W567 VanDerWaalsContact SG-CH2 3.53Å; L563-W567 WeakPolarHBondContact O-CB 3.4Å; L563-W567 PolarHBondContact O-N 3.38Å; W567-H569 VanDerWaalsContact C-N 3.31Å; W567-H569 PolarHBondContact O-N 3.19Å; W567-T570 HydrophobicContact CE3-CG2 4.16Å; W567-T570 HydrophobicContact CZ3-CG2 3.96Å; W567-T570 WeakPolarHBondContact O-CB 3.3Å; W567-T570 PolarHBondContact O-N 3.01Å; W567-T570 VanDerWaalsContact O-N 3.13Å; W567-L571 HydrophobicContact CD2-CG 4.4Å; W567-L571 HydrophobicContact CG-CG 4.48Å; W567-L571 HydrophobicContact CZ2-CD2 3.96Å; W567-L571 WeakPolarHBondContact O-CG 3.45Å; W567-L571 PolarHBondContact O-N 3.38Å
568	S	96	Very high	94.5	Very high	33 Å²	33	38.5 Å²	38.5	23%	0.231	21%	0.205	C	C	.	.	H	α-helix	trans	-55.9	-44.4	172.9	-175.1	0	0	0	0	112	L498 L564 N572	L498-S568 WeakPolarHBondContact CD1-OG 3.42Å; L564-S568 VanDerWaalsContact O-CB 3.22Å; L564-S568 WeakPolarHBondContact O-CB 3.25Å; L564-S568 PolarHBondContact O-N 3.03Å; S568-N572 WeakPolarHBondContact O-CB 3.24Å; S568-N572 PolarHBondContact O-N 3Å; S568-N572 PolarHBondContact O-ND2 2.59Å
569	H	94.6	Very high	94.5	Very high	105 Å²	105	38.4 Å²	38.4	49%	0.486	21%	0.205	S	C	.	.	H	α-helix	trans	-65.9	-40.3	176.1	-173.2	65.4	0	0	0	112.3	K565 S566 W567 N572 T573 H583	K565-H569 PolarHBondContact O-N 3.48Å; K565-H569 VanDerWaalsContact O-N 3.1Å; S566-H569 PolarHBondContact O-N 3.01Å; W567-H569 VanDerWaalsContact C-N 3.31Å; W567-H569 PolarHBondContact O-N 3.19Å; H569-N572 PolarHBondContact O-N 3.33Å; H569-T573 WeakPolarHBondContact O-CB 3.41Å; H569-T573 WeakPolarHBondContact O-CG2 3.32Å; H569-T573 PolarHBondContact O-N 3.47Å; H569-T573 PolarHBondContact O-OG1 3.25Å; H569-H583 AromaticContact CD2-CE1 3.46Å; H569-H583 PolarHBondContact CD2-CE1 3.49Å; H569-H583 VanDerWaalsContact CD2-CE1 3.46Å; H569-H583 AromaticContact CD2-NE2 3.53Å; H569-H583 AromaticContact NE2-CE1 3.64Å
570	T	95.2	Very high	94.6	Very high	0 Å²	0	39 Å²	39	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-61.4	-49.8	176.3	-55.1	0	0	0	0	111	N548 S566 W567 N572 T573 C574 K580 L584	N548-T570 PolarHBondContact ND2-OG1 3.06Å; S566-T570 PolarHBondContact O-N 2.73Å; S566-T570 PolarHBondContact O-OG1 3.1Å; W567-T570 HydrophobicContact CE3-CG2 4.16Å; W567-T570 HydrophobicContact CZ3-CG2 3.96Å; W567-T570 WeakPolarHBondContact O-CB 3.3Å; W567-T570 PolarHBondContact O-N 3.01Å; W567-T570 VanDerWaalsContact O-N 3.13Å; T570-N572 PolarHBondContact O-N 3.36Å; T570-T573 PolarHBondContact O-N 3.15Å; T570-T573 PolarHBondContact O-OG1 3.19Å; T570-C574 VanDerWaalsContact O-CB 3.26Å; T570-C574 WeakPolarHBondContact O-CB 3.29Å; T570-C574 PolarHBondContact O-N 2.97Å; T570-K580 HydrophobicContact CG2-CB 4.27Å; T570-K580 HydrophobicContact CG2-CG 4.07Å; T570-L584 HydrophobicContact CG2-CD2 4.48Å
571	L	94.3	Very high	94.8	Very high	8 Å²	8	38.5 Å²	38.5	4%	0.042	20%	0.202	C	C	.	.	H	α-helix	trans	-63.3	-37.9	177.9	-65.6	180	0	0	0	113	M489 I494 E497 W567	M489-L571 HydrophobicContact SD-CD2 4.09Å; I494-L571 HydrophobicContact CD1-CB 4.29Å; I494-L571 HydrophobicContact CG1-CB 4.09Å; I494-L571 HydrophobicContact CG2-CB 4.24Å; I494-L571 HydrophobicContact CG2-CD1 4.26Å; E497-L571 HydrophobicContact CB-CD1 4.36Å; E497-L571 HydrophobicContact CG-CD1 3.84Å; W567-L571 HydrophobicContact CD2-CG 4.4Å; W567-L571 HydrophobicContact CG-CG 4.48Å; W567-L571 HydrophobicContact CZ2-CD2 3.96Å; W567-L571 WeakPolarHBondContact O-CG 3.45Å; W567-L571 PolarHBondContact O-N 3.38Å
572	N	91.7	Very high	94.9	Very high	65 Å²	65	35.5 Å²	35.5	35%	0.348	18%	0.181	S	C	.	.	H	α-helix	trans	-67.3	-37.7	176.4	-89.7	-83.5	0	0	0	112.9	R488 I494 S568 H569 T570	R488-N572 PolarHBondContact NH1-O 3.31Å; I494-N572 HydrophobicContact CD1-CB 4.5Å; S568-N572 WeakPolarHBondContact O-CB 3.24Å; S568-N572 PolarHBondContact O-N 3Å; S568-N572 PolarHBondContact O-ND2 2.59Å; H569-N572 PolarHBondContact O-N 3.33Å; T570-N572 PolarHBondContact O-N 3.36Å
573	T	90.2	Very high	94.9	Very high	37 Å²	37	32.8 Å²	32.8	23%	0.227	17%	0.166	C	C	.	.	H	α-helix	trans	-86.5	-40.8	-174.5	51.4	0	0	0	0	112.8	R488 H569 T570 P575	R488-T573 PolarHBondContact NH1-O 3.21Å; R488-T573 VanDerWaalsContact NH1-O 3.14Å; R488-T573 PolarHBondContact NH2-O 3.42Å; H569-T573 WeakPolarHBondContact O-CB 3.41Å; H569-T573 WeakPolarHBondContact O-CG2 3.32Å; H569-T573 PolarHBondContact O-N 3.47Å; H569-T573 PolarHBondContact O-OG1 3.25Å; T570-T573 PolarHBondContact O-N 3.15Å; T570-T573 PolarHBondContact O-OG1 3.19Å; T573-P575 WeakPolarHBondContact O-CD 3.5Å
574	C	94	Very high	94.9	Very high	7 Å²	7	32.8 Å²	32.8	5%	0.047	17%	0.166	C	C	.	.			trans	-113	98.8	-162.4	-59.8	0	0	0	0	112.9	T570 D576 S579 K580 H583	T570-C574 VanDerWaalsContact O-CB 3.26Å; T570-C574 WeakPolarHBondContact O-CB 3.29Å; T570-C574 PolarHBondContact O-N 2.97Å; C574-D576 VanDerWaalsContact C-N 3.32Å; C574-D576 PolarHBondContact O-N 2.97Å; C574-S579 WeakPolarHBondContact CA-OG 2.85Å; C574-S579 WeakPolarHBondContact CB-OG 3.32Å; C574-S579 PolarHBondContact SG-O 2.75Å; C574-S579 VanDerWaalsContact SG-O 3.39Å; C574-K580 HydrophobicContact CB-CB 4.33Å; C574-K580 HydrophobicContact CB-CG 3.64Å; C574-K580 WeakPolarHBondContact O-CE 3.34Å; C574-H583 WeakPolarHBondContact SG-CB 3.36Å
575	P	90.8	Very high	94.9	Very high	14 Å²	14	32 Å²	32	9%	0.091	16%	0.162	C	C	.	.			trans	-78.8	-6	-174.5	32.9	-37.9	0	0	0	115.2	L484 G485 T487 R488 T573 S579	L484-P575 HydrophobicContact CB-CG 4.39Å; L484-P575 VanDerWaalsContact O-CD 3.28Å; L484-P575 WeakPolarHBondContact O-CD 3.42Å; L484-P575 WeakPolarHBondContact O-CG 3.48Å; G485-P575 WeakPolarHBondContact O-CG 3.21Å; T487-P575 VanDerWaalsContact C-CB 3.41Å; T487-P575 WeakPolarHBondContact O-CA 3.27Å; T487-P575 WeakPolarHBondContact O-CB 3.46Å; T487-P575 PolarHBondContact OG1-O 3.45Å; R488-P575 HydrophobicContact CG-CB 4.03Å; T573-P575 WeakPolarHBondContact O-CD 3.5Å; P575-S579 WeakPolarHBondContact CD-OG 3.48Å
576	D	92.6	Very high	94.9	Very high	39 Å²	39	24.7 Å²	24.7	21%	0.209	13%	0.13	C	C	.	.	S	Bend	trans	-143.4	167.1	179.7	68.7	7.9	0	0	0	112.9	C574 A578 S579 K580 R651	C574-D576 VanDerWaalsContact C-N 3.32Å; C574-D576 PolarHBondContact O-N 2.97Å; D576-A578 PolarHBondContact O-N 2.96Å; D576-S579 PolarHBondContact N-OG 2.89Å; D576-S579 PolarHBondContact O-N 3.1Å; D576-S579 PolarHBondContact O-OG 3.41Å; D576-S579 VanDerWaalsContact OD1-CB 3.22Å; D576-S579 WeakPolarHBondContact OD1-CB 3.49Å; D576-S579 PolarHBondContact OD1-N 2.96Å; D576-S579 PolarHBondContact OD1-OG 3.15Å; D576-K580 WeakPolarHBondContact O-CG 3.35Å; D576-K580 PolarHBondContact O-N 3.18Å; D576-R651 IonicContact OD1-CZ 3.81Å; D576-R651 IonicContact OD1-NE 2.76Å; D576-R651 IonicContact OD1-NH2 3.36Å; D576-R651 PolarHBondContact OD1-NH2 2.53Å; D576-R651 IonicContact OD2-CZ 3.33Å; D576-R651 IonicContact OD2-NE 3.11Å; D576-R651 PolarHBondContact OD2-NE 3.19Å; D576-R651 IonicContact OD2-NH2 3.47Å; D576-R651 PolarHBondContact OD2-NH2 2.9Å
577	E	94.1	Very high	94.8	Very high	93 Å²	93	30 Å²	30	44%	0.435	15%	0.147	S	C	.	.	H	α-helix	trans	-58.1	-44.5	-175.6	-166.9	-173.6	153.2	0	0	112.6	W541 S579 K580 F581 L656	W541-E577 HydrophobicContact CH2-CG 3.53Å; W541-E577 HydrophobicContact CZ2-CG 3.66Å; E577-S579 PolarHBondContact O-N 2.78Å; E577-K580 PolarHBondContact O-N 3.24Å; E577-F581 WeakPolarHBondContact O-CB 3.38Å; E577-F581 PolarHBondContact O-N 3.4Å; E577-L656 HydrophobicContact CG-CD1 4.2Å
578	A	95.9	Very high	94.6	Very high	5 Å²	5	31.8 Å²	31.8	4%	0.041	17%	0.167	C	C	.	.	H	α-helix	trans	-62.1	-41.3	178.5	0	0	0	0	0	112.8	D576 V582 L647 L650 R651 L656	D576-A578 PolarHBondContact O-N 2.96Å; A578-V582 WeakPolarHBondContact O-CG2 3.27Å; A578-V582 PolarHBondContact O-N 3.44Å; A578-V582 VanDerWaalsContact O-N 3.16Å; A578-L647 WeakPolarHBondContact O-CD2 3.42Å; A578-L650 HydrophobicContact CB-CD2 4Å; A578-L650 HydrophobicContact CB-CG 4.22Å; A578-R651 HydrophobicContact CB-CG 3.62Å; A578-L656 HydrophobicContact CB-CD1 4.3Å
579	S	95.5	Very high	94.5	Very high	5 Å²	5	38.6 Å²	38.6	4%	0.035	19%	0.187	C	C	.	.	H	α-helix	trans	-68.6	-39	174.7	53.8	0	0	0	0	112.4	L484 C574 P575 D576 E577 H583	L484-S579 PolarHBondContact O-OG 3.12Å; C574-S579 WeakPolarHBondContact CA-OG 2.85Å; C574-S579 WeakPolarHBondContact CB-OG 3.32Å; C574-S579 PolarHBondContact SG-O 2.75Å; C574-S579 VanDerWaalsContact SG-O 3.39Å; P575-S579 WeakPolarHBondContact CD-OG 3.48Å; D576-S579 PolarHBondContact N-OG 2.89Å; D576-S579 PolarHBondContact O-N 3.1Å; D576-S579 PolarHBondContact O-OG 3.41Å; D576-S579 VanDerWaalsContact OD1-CB 3.22Å; D576-S579 WeakPolarHBondContact OD1-CB 3.49Å; D576-S579 PolarHBondContact OD1-N 2.96Å; D576-S579 PolarHBondContact OD1-OG 3.15Å; E577-S579 PolarHBondContact O-N 2.78Å; S579-H583 VanDerWaalsContact O-CB 3.25Å; S579-H583 WeakPolarHBondContact O-CB 3.39Å; S579-H583 PolarHBondContact O-N 3.34Å
580	K	96.2	Very high	94.5	Very high	47 Å²	47	34.6 Å²	34.6	20%	0.204	17%	0.172	C	C	.	.	H	α-helix	trans	-60.5	-49.9	174.4	-68.4	175.8	-177.7	-175.1	0	111.1	W541 T570 C574 D576 E577 V582 H583 L584	W541-K580 HydrophobicContact CH2-CB 4.36Å; W541-K580 HydrophobicContact CZ3-CB 4.06Å; T570-K580 HydrophobicContact CG2-CB 4.27Å; T570-K580 HydrophobicContact CG2-CG 4.07Å; C574-K580 HydrophobicContact CB-CB 4.33Å; C574-K580 HydrophobicContact CB-CG 3.64Å; C574-K580 WeakPolarHBondContact O-CE 3.34Å; D576-K580 WeakPolarHBondContact O-CG 3.35Å; D576-K580 PolarHBondContact O-N 3.18Å; E577-K580 PolarHBondContact O-N 3.24Å; K580-V582 PolarHBondContact O-N 3.25Å; K580-H583 PolarHBondContact O-N 3.47Å; K580-L584 VanDerWaalsContact O-CG 3.26Å; K580-L584 WeakPolarHBondContact O-CG 3.25Å; K580-L584 PolarHBondContact O-N 3.3Å
581	F	97.3	Very high	94.5	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-58.4	-49.7	-179.4	-175.4	-101.9	0	0	0	112.5	W541 E577 H583 L584 L585 L593 F598 L601 L650 F655 L656 L659	W541-F581 HydrophobicContact CD2-CD2 4.14Å; W541-F581 AromaticContact CE2-CD2 3.69Å; W541-F581 HydrophobicContact CH2-CB 3.77Å; W541-F581 HydrophobicContact CH2-CD2 4.27Å; W541-F581 HydrophobicContact CZ2-CB 3.95Å; W541-F581 AromaticContact CZ2-CD2 3.77Å; W541-F581 HydrophobicContact CZ2-CD2 3.77Å; W541-F581 HydrophobicContact CZ2-CG 4.28Å; W541-F581 HydrophobicContact CZ3-CB 4.35Å; W541-F581 AromaticContact NE1-CD2 3.97Å; E577-F581 WeakPolarHBondContact O-CB 3.38Å; E577-F581 PolarHBondContact O-N 3.4Å; F581-H583 VanDerWaalsContact C-N 3.33Å; F581-H583 PolarHBondContact O-N 2.93Å; F581-L584 PolarHBondContact O-N 3.14Å; F581-L585 HydrophobicContact CD1-CD1 4.14Å; F581-L585 HydrophobicContact CE1-CD1 3.47Å; F581-L585 VanDerWaalsContact CE1-CD1 3.47Å; F581-L585 HydrophobicContact CE1-CG 4.48Å; F581-L585 HydrophobicContact CE2-CD1 4.21Å; F581-L585 HydrophobicContact CZ-CD1 3.52Å; F581-L585 HydrophobicContact CZ-CG 4.37Å; F581-L585 PolarHBondContact O-N 3.05Å; F581-L585 VanDerWaalsContact O-N 3.16Å; F581-L593 HydrophobicContact CD1-CD1 4.04Å; F581-L593 HydrophobicContact CE1-CD1 3.83Å; F581-F598 HydrophobicContact CE1-CE1 4.27Å; F581-L601 HydrophobicContact CE2-CD2 4Å; F581-L601 HydrophobicContact CZ-CD2 3.6Å; F581-L650 HydrophobicContact CD1-CD2 3.89Å; F581-F655 AromaticContact CE1-CE1 3.91Å; F581-F655 HydrophobicContact CE1-CE1 3.91Å; F581-F655 AromaticContact CZ-CE1 3.72Å; F581-F655 HydrophobicContact CZ-CE1 3.72Å; F581-F655 HydrophobicContact CZ-CZ 4.47Å; F581-L656 HydrophobicContact CB-CD2 4.11Å; F581-L656 HydrophobicContact CD1-CD2 3.75Å; F581-L656 HydrophobicContact CD2-CD2 3.75Å; F581-L656 HydrophobicContact CE1-CD2 4.02Å; F581-L656 HydrophobicContact CE2-CD2 4.04Å; F581-L656 HydrophobicContact CG-CD2 3.59Å; F581-L656 HydrophobicContact CZ-CD2 4.15Å; F581-L659 HydrophobicContact CD2-CD2 4.48Å; F581-L659 HydrophobicContact CE2-CD2 3.53Å; F581-L659 HydrophobicContact CZ-CD2 3.86Å
582	V	97.1	Very high	94.7	Very high	2 Å²	2	41 Å²	41	1%	0.012	21%	0.208	C	C	.	.	H	α-helix	trans	-63.1	-39.8	177.2	175	0	0	0	0	111.3	A578 K580 T586 L593 L647 L650	A578-V582 WeakPolarHBondContact O-CG2 3.27Å; A578-V582 PolarHBondContact O-N 3.44Å; A578-V582 VanDerWaalsContact O-N 3.16Å; K580-V582 PolarHBondContact O-N 3.25Å; V582-T586 HydrophobicContact CG1-CG2 4.07Å; V582-T586 VanDerWaalsContact O-CB 3.3Å; V582-T586 WeakPolarHBondContact O-CB 3.3Å; V582-T586 WeakPolarHBondContact O-CG2 3.46Å; V582-T586 PolarHBondContact O-N 2.57Å; V582-T586 PolarHBondContact O-OG1 2.9Å; V582-L593 HydrophobicContact CB-CG 4.49Å; V582-L593 HydrophobicContact CG1-CD2 4.38Å; V582-L593 HydrophobicContact CG1-CG 4.28Å; V582-L593 HydrophobicContact CG2-CD1 3.92Å; V582-L593 HydrophobicContact CG2-CG 3.98Å; V582-L647 HydrophobicContact CB-CD2 3.93Å; V582-L647 HydrophobicContact CG1-CD2 4.41Å; V582-L647 HydrophobicContact CG2-CD2 3.73Å; V582-L650 HydrophobicContact CG2-CD2 3.69Å
583	H	96.3	Very high	95	Very high	19 Å²	19	38 Å²	38	9%	0.088	19%	0.191	C	C	.	.	H	α-helix	trans	-63.2	-43.5	177	-175.7	98.2	0	0	0	112.4	H569 C574 S579 K580 F581 T586 R587 G588	H569-H583 AromaticContact CD2-CE1 3.46Å; H569-H583 PolarHBondContact CD2-CE1 3.49Å; H569-H583 VanDerWaalsContact CD2-CE1 3.46Å; H569-H583 AromaticContact CD2-NE2 3.53Å; H569-H583 AromaticContact NE2-CE1 3.64Å; C574-H583 WeakPolarHBondContact SG-CB 3.36Å; S579-H583 VanDerWaalsContact O-CB 3.25Å; S579-H583 WeakPolarHBondContact O-CB 3.39Å; S579-H583 PolarHBondContact O-N 3.34Å; K580-H583 PolarHBondContact O-N 3.47Å; F581-H583 VanDerWaalsContact C-N 3.33Å; F581-H583 PolarHBondContact O-N 2.93Å; H583-T586 PolarHBondContact O-OG1 3.39Å; H583-R587 CarbonylContact O-C 3.56Å; H583-R587 VanDerWaalsContact O-CA 3.27Å; H583-R587 WeakPolarHBondContact O-CA 3.4Å; H583-R587 PolarHBondContact O-N 2.61Å; H583-G588 PolarHBondContact O-N 3.41Å
584	L	96.9	Very high	95.3	Very high	2 Å²	2	38.3 Å²	38.3	1%	0.01	19%	0.193	C	C	.	.	H	α-helix	trans	-63.5	-50.9	-179.6	-69.3	169.9	0	0	0	112	W541 A544 I545 N548 T570 K580 F581 R587	W541-L584 HydrophobicContact CE3-CD1 3.53Å; W541-L584 HydrophobicContact CZ3-CD1 3.8Å; A544-L584 HydrophobicContact CB-CB 3.9Å; I545-L584 HydrophobicContact CG1-CD1 4.05Å; I545-L584 HydrophobicContact CG1-CD2 4.41Å; N548-L584 HydrophobicContact CB-CD2 3.73Å; T570-L584 HydrophobicContact CG2-CD2 4.48Å; K580-L584 VanDerWaalsContact O-CG 3.26Å; K580-L584 WeakPolarHBondContact O-CG 3.25Å; K580-L584 PolarHBondContact O-N 3.3Å; F581-L584 PolarHBondContact O-N 3.14Å; L584-R587 PolarHBondContact O-N 2.94Å
585	L	96.3	Very high	95.4	Very high	14 Å²	14	42.1 Å²	42.1	7%	0.073	21%	0.21	C	C	.	.	H	α-helix	trans	-64.9	-48.8	179.5	-69.2	179.4	0	0	0	112.2	A544 F581 R587 L593 L601	A544-L585 HydrophobicContact CB-CD2 3.7Å; A544-L585 HydrophobicContact CB-CG 4.34Å; F581-L585 HydrophobicContact CD1-CD1 4.14Å; F581-L585 HydrophobicContact CE1-CD1 3.47Å; F581-L585 VanDerWaalsContact CE1-CD1 3.47Å; F581-L585 HydrophobicContact CE1-CG 4.48Å; F581-L585 HydrophobicContact CE2-CD1 4.21Å; F581-L585 HydrophobicContact CZ-CD1 3.52Å; F581-L585 HydrophobicContact CZ-CG 4.37Å; F581-L585 PolarHBondContact O-N 3.05Å; F581-L585 VanDerWaalsContact O-N 3.16Å; L585-R587 PolarHBondContact O-N 3.22Å; L585-L593 HydrophobicContact CB-CD2 3.74Å; L585-L593 HydrophobicContact CD1-CD1 3.97Å; L585-L593 HydrophobicContact CD1-CD2 3.86Å; L585-L593 HydrophobicContact CG-CD2 4.45Å; L585-L601 HydrophobicContact CD1-CD2 4.38Å; L585-L601 HydrophobicContact CD2-CB 4.14Å; L585-L601 HydrophobicContact CD2-CD2 4.48Å
586	T	95.6	Very high	95.7	Very high	1 Å²	1	45.1 Å²	45.1	1%	0.006	23%	0.231	C	C	.	.	H	α-helix	trans	-71.1	-13.9	-179	64.2	0	0	0	0	113.3	V582 H583 G588 R589 A590 F592 L593	V582-T586 HydrophobicContact CG1-CG2 4.07Å; V582-T586 VanDerWaalsContact O-CB 3.3Å; V582-T586 WeakPolarHBondContact O-CB 3.3Å; V582-T586 WeakPolarHBondContact O-CG2 3.46Å; V582-T586 PolarHBondContact O-N 2.57Å; V582-T586 PolarHBondContact O-OG1 2.9Å; H583-T586 PolarHBondContact O-OG1 3.39Å; T586-G588 VanDerWaalsContact C-N 3.29Å; T586-G588 PolarHBondContact OG1-N 2.83Å; T586-R589 VanDerWaalsContact O-CB 3.29Å; T586-R589 WeakPolarHBondContact O-CB 3.29Å; T586-R589 VanDerWaalsContact O-CD 3.3Å; T586-R589 WeakPolarHBondContact O-CD 3.38Å; T586-R589 WeakPolarHBondContact O-CG 3.46Å; T586-R589 PolarHBondContact O-N 2.89Å; T586-R589 PolarHBondContact O-NH1 3.21Å; T586-A590 HydrophobicContact CG2-CB 4.05Å; T586-A590 PolarHBondContact OG1-O 3.47Å; T586-F592 WeakPolarHBondContact CG2-O 3.49Å; T586-L593 HydrophobicContact CG2-CD2 3.73Å
587	R	93.6	Very high	95.9	Very high	130 Å²	130	44.6 Å²	44.6	49%	0.491	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.4	47.2	-166.8	-67.3	168.5	-83.3	174.7	-5.6	111.6	M547 N548 H583 L584 L585 R589	M547-R587 WeakPolarHBondContact O-CD 3.43Å; N548-R587 HydrophobicContact CB-CG 4.38Å; N548-R587 WeakPolarHBondContact OD1-CA 3.45Å; H583-R587 CarbonylContact O-C 3.56Å; H583-R587 VanDerWaalsContact O-CA 3.27Å; H583-R587 WeakPolarHBondContact O-CA 3.4Å; H583-R587 PolarHBondContact O-N 2.61Å; L584-R587 PolarHBondContact O-N 2.94Å; L585-R587 PolarHBondContact O-N 3.22Å; R587-R589 PolarHBondContact O-N 3.44Å
588	G	92.1	Very high	96.1	Very high	41 Å²	41	40.2 Å²	40.2	42%	0.423	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	69.1	2.9	-177.5	0	0	0	0	0	116.3	H583 T586 A590	H583-G588 PolarHBondContact O-N 3.41Å; T586-G588 VanDerWaalsContact C-N 3.29Å; T586-G588 PolarHBondContact OG1-N 2.83Å; G588-A590 VanDerWaalsContact C-N 3.32Å; G588-A590 PolarHBondContact O-N 2.96Å
589	R	94	Very high	96	Very high	176 Å²	176	43.5 Å²	43.5	66%	0.664	23%	0.225	S	C	*	.	S	Bend	trans	-71.2	-22.3	-172.6	99	-154.5	-52.2	94.6	-0.5	114.6	T586 R587	T586-R589 VanDerWaalsContact O-CB 3.29Å; T586-R589 WeakPolarHBondContact O-CB 3.29Å; T586-R589 VanDerWaalsContact O-CD 3.3Å; T586-R589 WeakPolarHBondContact O-CD 3.38Å; T586-R589 WeakPolarHBondContact O-CG 3.46Å; T586-R589 PolarHBondContact O-N 2.89Å; T586-R589 PolarHBondContact O-NH1 3.21Å; R587-R589 PolarHBondContact O-N 3.44Å
590	A	95	Very high	95.9	Very high	21 Å²	21	46.6 Å²	46.6	17%	0.174	24%	0.244	C	C	.	.			trans	-152.1	160.7	-173.3	0	0	0	0	0	111.7	T586 G588 F592	T586-A590 HydrophobicContact CG2-CB 4.05Å; T586-A590 PolarHBondContact OG1-O 3.47Å; G588-A590 VanDerWaalsContact C-N 3.32Å; G588-A590 PolarHBondContact O-N 2.96Å; A590-F592 HydrophobicContact CB-CD1 4.23Å; A590-F592 HydrophobicContact CB-CD2 4.34Å; A590-F592 HydrophobicContact CB-CE1 4.05Å; A590-F592 HydrophobicContact CB-CE2 4.15Å; A590-F592 HydrophobicContact CB-CG 4.37Å; A590-F592 HydrophobicContact CB-CZ 4Å
591	T	95.3	Very high	95.9	Very high	86 Å²	86	44.4 Å²	44.4	53%	0.528	23%	0.234	S	C	.	.	S	Bend	trans	-105.6	28.4	171.8	64.9	0	0	0	0	111.7	L484	L484-T591 HydrophobicContact CD2-CG2 4.31Å
592	F	97.3	Very high	95.9	Very high	58 Å²	58	44.4 Å²	44.4	25%	0.254	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.9	161.4	177.2	58.4	-98.2	0	0	0	108.8	T586 A590 V594 R644 I645	T586-F592 WeakPolarHBondContact CG2-O 3.49Å; A590-F592 HydrophobicContact CB-CD1 4.23Å; A590-F592 HydrophobicContact CB-CD2 4.34Å; A590-F592 HydrophobicContact CB-CE1 4.05Å; A590-F592 HydrophobicContact CB-CE2 4.15Å; A590-F592 HydrophobicContact CB-CG 4.37Å; A590-F592 HydrophobicContact CB-CZ 4Å; F592-V594 HydrophobicContact CD2-CG1 4.35Å; F592-V594 HydrophobicContact CE2-CG1 4.13Å; F592-R644 HydrophobicContact CB-CB 4.22Å; F592-R644 HydrophobicContact CD2-CB 3.8Å; F592-R644 HydrophobicContact CD2-CG 3.74Å; F592-R644 HydrophobicContact CE2-CB 4.46Å; F592-R644 HydrophobicContact CE2-CG 3.91Å; F592-R644 HydrophobicContact CG-CB 4.1Å; F592-R644 HydrophobicContact CG-CG 4.41Å; F592-I645 CarbonylContact C-O 3.58Å; F592-I645 WeakPolarHBondContact CA-O 3.48Å; F592-I645 WeakPolarHBondContact CB-O 3.28Å
593	L	98	Very high	95.8	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	136.7	174.6	-63.4	165.8	0	0	0	111	F581 V582 L585 T586 D597 F598 R644 I645	F581-L593 HydrophobicContact CD1-CD1 4.04Å; F581-L593 HydrophobicContact CE1-CD1 3.83Å; V582-L593 HydrophobicContact CB-CG 4.49Å; V582-L593 HydrophobicContact CG1-CD2 4.38Å; V582-L593 HydrophobicContact CG1-CG 4.28Å; V582-L593 HydrophobicContact CG2-CD1 3.92Å; V582-L593 HydrophobicContact CG2-CG 3.98Å; L585-L593 HydrophobicContact CB-CD2 3.74Å; L585-L593 HydrophobicContact CD1-CD1 3.97Å; L585-L593 HydrophobicContact CD1-CD2 3.86Å; L585-L593 HydrophobicContact CG-CD2 4.45Å; T586-L593 HydrophobicContact CG2-CD2 3.73Å; L593-D597 WeakPolarHBondContact CA-OD2 3.42Å; L593-D597 HydrophobicContact CB-CB 4.41Å; L593-D597 HydrophobicContact CD2-CB 3.68Å; L593-F598 HydrophobicContact CB-CD2 4.39Å; L593-F598 HydrophobicContact CB-CE2 3.59Å; L593-F598 HydrophobicContact CB-CZ 4.2Å; L593-F598 HydrophobicContact CD1-CE1 4.3Å; L593-F598 HydrophobicContact CD1-CE2 3.78Å; L593-F598 HydrophobicContact CD1-CZ 3.54Å; L593-F598 HydrophobicContact CG-CE2 4.25Å; L593-F598 HydrophobicContact CG-CZ 4.48Å; L593-R644 CarbonylContact O-C 3.6Å; L593-R644 VanDerWaalsContact O-CA 3.32Å; L593-R644 WeakPolarHBondContact O-CA 3.38Å; L593-I645 HydrophobicContact CB-CB 4.42Å; L593-I645 PolarHBondContact N-O 3.16Å; L593-I645 PolarHBondContact O-N 3.16Å
594	V	97.6	Very high	95.7	Very high	44 Å²	44	46.4 Å²	46.4	27%	0.267	24%	0.244	S	C	.	.			trans	-99.1	167.4	164.9	-67.7	0	0	0	0	110.2	F592 S596 D597 F634 R644	F592-V594 HydrophobicContact CD2-CG1 4.35Å; F592-V594 HydrophobicContact CE2-CG1 4.13Å; V594-S596 VanDerWaalsContact C-N 3.29Å; V594-S596 WeakPolarHBondContact CG2-OG 3.13Å; V594-S596 PolarHBondContact O-N 2.87Å; V594-D597 VanDerWaalsContact CG2-OD2 3.27Å; V594-D597 WeakPolarHBondContact CG2-OD2 3.22Å; V594-D597 PolarHBondContact N-OD2 3.23Å; V594-D597 WeakPolarHBondContact O-CB 3.47Å; V594-D597 PolarHBondContact O-N 3.4Å; V594-F634 VanDerWaalsContact C-CZ 3.44Å; V594-R644 HydrophobicContact CG1-CG 4.01Å
595	Q	96.3	Very high	95.7	Very high	88 Å²	88	46.3 Å²	46.3	41%	0.411	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.8	-46.2	-176.1	-68.3	-177.3	12.4	0	0	112.7	D597 F598 N599 V630 F634	Q595-D597 PolarHBondContact O-N 2.77Å; Q595-D597 VanDerWaalsContact O-N 3.14Å; Q595-F598 PolarHBondContact O-N 3.39Å; Q595-F598 VanDerWaalsContact O-N 3.07Å; Q595-N599 PolarHBondContact O-OD1 3.39Å; Q595-V630 HydrophobicContact CB-CG1 3.72Å; Q595-V630 HydrophobicContact CG-CG1 3.98Å; Q595-F634 HydrophobicContact CB-CE2 4.29Å; Q595-F634 HydrophobicContact CG-CD1 4.22Å; Q595-F634 HydrophobicContact CG-CD2 3.84Å; Q595-F634 HydrophobicContact CG-CE1 4.21Å; Q595-F634 HydrophobicContact CG-CE2 3.83Å; Q595-F634 HydrophobicContact CG-CG 4.05Å; Q595-F634 HydrophobicContact CG-CZ 4.03Å
596	S	96	Very high	95.6	Very high	76 Å²	76	45.8 Å²	45.8	53%	0.531	24%	0.241	S	C	.	.	H	α-helix	trans	-61.3	-22.3	179.9	56.8	0	0	0	0	115.1	V594 F598 N599	V594-S596 VanDerWaalsContact C-N 3.29Å; V594-S596 WeakPolarHBondContact CG2-OG 3.13Å; V594-S596 PolarHBondContact O-N 2.87Å; S596-F598 PolarHBondContact O-N 3.23Å; S596-N599 PolarHBondContact O-N 2.88Å
597	D	97.1	Very high	95.5	Very high	28 Å²	28	49.9 Å²	49.9	15%	0.15	26%	0.26	C	S	.	.	H	α-helix	trans	-71.9	-17.8	178.1	-60.6	-36.9	0	0	0	112	L593 V594 Q595	L593-D597 WeakPolarHBondContact CA-OD2 3.42Å; L593-D597 HydrophobicContact CB-CB 4.41Å; L593-D597 HydrophobicContact CD2-CB 3.68Å; V594-D597 VanDerWaalsContact CG2-OD2 3.27Å; V594-D597 WeakPolarHBondContact CG2-OD2 3.22Å; V594-D597 PolarHBondContact N-OD2 3.23Å; V594-D597 WeakPolarHBondContact O-CB 3.47Å; V594-D597 PolarHBondContact O-N 3.4Å; Q595-D597 PolarHBondContact O-N 2.77Å; Q595-D597 VanDerWaalsContact O-N 3.14Å
598	F	97.6	Very high	95.5	Very high	1 Å²	1	46.1 Å²	46.1	0%	0.004	25%	0.253	C	S	.	.	H	α-helix	trans	-90.6	-23.7	176.4	-71.3	-95.6	0	0	0	113.2	F581 L593 Q595 S596 T600 L601 I602 V630 I633 F634 I645 F655	F581-F598 HydrophobicContact CE1-CE1 4.27Å; L593-F598 HydrophobicContact CB-CD2 4.39Å; L593-F598 HydrophobicContact CB-CE2 3.59Å; L593-F598 HydrophobicContact CB-CZ 4.2Å; L593-F598 HydrophobicContact CD1-CE1 4.3Å; L593-F598 HydrophobicContact CD1-CE2 3.78Å; L593-F598 HydrophobicContact CD1-CZ 3.54Å; L593-F598 HydrophobicContact CG-CE2 4.25Å; L593-F598 HydrophobicContact CG-CZ 4.48Å; Q595-F598 PolarHBondContact O-N 3.39Å; Q595-F598 VanDerWaalsContact O-N 3.07Å; S596-F598 PolarHBondContact O-N 3.23Å; F598-T600 VanDerWaalsContact C-N 3.3Å; F598-T600 PolarHBondContact O-N 2.93Å; F598-L601 HydrophobicContact CD1-CD2 4.43Å; F598-L601 WeakPolarHBondContact O-CA 3.32Å; F598-L601 WeakPolarHBondContact O-CB 3.35Å; F598-L601 PolarHBondContact O-N 3.15Å; F598-I602 HydrophobicContact CB-CG1 4.49Å; F598-I602 PolarHBondContact O-N 3.32Å; F598-V630 HydrophobicContact CB-CG2 3.71Å; F598-I633 HydrophobicContact CD1-CD1 3.92Å; F598-I633 HydrophobicContact CD1-CG2 4.43Å; F598-I633 HydrophobicContact CE1-CD1 4.2Å; F598-I633 HydrophobicContact CE1-CG2 3.87Å; F598-I633 HydrophobicContact CE2-CG2 4.42Å; F598-I633 HydrophobicContact CZ-CG2 3.85Å; F598-F634 AromaticContact CD2-CE2 3.71Å; F598-F634 HydrophobicContact CD2-CE2 3.71Å; F598-F634 HydrophobicContact CD2-CZ 4.38Å; F598-F634 AromaticContact CE2-CE2 3.56Å; F598-F634 HydrophobicContact CE2-CE2 3.56Å; F598-F634 HydrophobicContact CE2-CZ 4.01Å; F598-I645 HydrophobicContact CE2-CD1 4Å; F598-I645 HydrophobicContact CZ-CD1 3.95Å; F598-F655 HydrophobicContact CD1-CZ 4.31Å; F598-F655 AromaticContact CE1-CE1 3.86Å; F598-F655 HydrophobicContact CE1-CE1 3.86Å; F598-F655 AromaticContact CE1-CZ 3.85Å; F598-F655 HydrophobicContact CE1-CZ 3.85Å
599	N	95.5	Very high	95.8	Very high	75 Å²	75	44.2 Å²	44.2	40%	0.401	23%	0.233	S	C	.	.	H	α-helix	trans	-53.3	-44.9	-170.6	-69.2	15.3	0	0	0	112.9	Q595 S596 I602 Q603 V626	Q595-N599 PolarHBondContact O-OD1 3.39Å; S596-N599 PolarHBondContact O-N 2.88Å; N599-I602 PolarHBondContact O-N 3.06Å; N599-Q603 WeakPolarHBondContact O-CB 3.4Å; N599-Q603 PolarHBondContact O-N 3.26Å; N599-V626 HydrophobicContact CB-CG1 4.3Å
600	T	92.9	Very high	95.9	Very high	70 Å²	70	39.3 Å²	39.3	43%	0.429	22%	0.224	S	C	.	.	H	α-helix	trans	-73.2	-25.4	179.7	57.2	0	0	0	0	113.6	F598 D604	F598-T600 VanDerWaalsContact C-N 3.3Å; F598-T600 PolarHBondContact O-N 2.93Å; T600-D604 WeakPolarHBondContact O-CB 3.45Å; T600-D604 PolarHBondContact O-N 2.88Å
601	L	95.8	Very high	95.9	Very high	1 Å²	1	39.2 Å²	39.2	1%	0.005	23%	0.225	C	C	.	.	H	α-helix	trans	-71.7	-46.7	172.4	174.3	65.4	0	0	0	110.9	Y540 F581 L585 F598 Q603 D604 I605 L659	Y540-L601 WeakPolarHBondContact O-CD1 3.37Å; F581-L601 HydrophobicContact CE2-CD2 4Å; F581-L601 HydrophobicContact CZ-CD2 3.6Å; L585-L601 HydrophobicContact CD1-CD2 4.38Å; L585-L601 HydrophobicContact CD2-CB 4.14Å; L585-L601 HydrophobicContact CD2-CD2 4.48Å; F598-L601 HydrophobicContact CD1-CD2 4.43Å; F598-L601 WeakPolarHBondContact O-CA 3.32Å; F598-L601 WeakPolarHBondContact O-CB 3.35Å; F598-L601 PolarHBondContact O-N 3.15Å; L601-Q603 VanDerWaalsContact C-N 3.32Å; L601-Q603 PolarHBondContact O-N 2.96Å; L601-D604 PolarHBondContact O-N 3.11Å; L601-I605 HydrophobicContact CD1-CD1 4.33Å; L601-I605 HydrophobicContact CG-CD1 4.16Å; L601-I605 WeakPolarHBondContact O-CG1 3.35Å; L601-I605 PolarHBondContact O-N 3.19Å; L601-L659 HydrophobicContact CD2-CD2 4.18Å
602	I	97.2	Very high	95.9	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-69	-34.2	-180	-49	-48.9	0	0	0	111.1	F598 N599 I605 L606 Y625 V626 V629 V630 I633 F675	F598-I602 HydrophobicContact CB-CG1 4.49Å; F598-I602 PolarHBondContact O-N 3.32Å; N599-I602 PolarHBondContact O-N 3.06Å; I602-I605 HydrophobicContact CD1-CD1 4.15Å; I602-I605 PolarHBondContact O-N 3.07Å; I602-L606 WeakPolarHBondContact O-CB 3.39Å; I602-L606 PolarHBondContact O-N 2.97Å; I602-Y625 HydrophobicContact CG2-CD1 4.19Å; I602-Y625 HydrophobicContact CG2-CE1 3.86Å; I602-V626 HydrophobicContact CB-CG1 4.27Å; I602-V626 HydrophobicContact CB-CG2 4.16Å; I602-V626 HydrophobicContact CG2-CB 4.4Å; I602-V626 HydrophobicContact CG2-CG2 3.95Å; I602-V629 HydrophobicContact CD1-CG1 3.73Å; I602-V629 HydrophobicContact CG1-CG1 4.04Å; I602-V629 HydrophobicContact CG2-CB 3.97Å; I602-V629 HydrophobicContact CG2-CG1 4.01Å; I602-V629 HydrophobicContact CG2-CG2 4.28Å; I602-V630 HydrophobicContact CG1-CG2 3.96Å; I602-I633 HydrophobicContact CD1-CD1 4.08Å; I602-F675 HydrophobicContact CD1-CE1 4.04Å
603	Q	94.8	Very high	95.7	Very high	53 Å²	53	35 Å²	35	25%	0.248	21%	0.21	C	C	.	.	H	α-helix	trans	-63	-43.6	172.7	-172.5	64.3	31.2	0	0	112.3	N599 L601 I605 L606 E607	N599-Q603 WeakPolarHBondContact O-CB 3.4Å; N599-Q603 PolarHBondContact O-N 3.26Å; L601-Q603 VanDerWaalsContact C-N 3.32Å; L601-Q603 PolarHBondContact O-N 2.96Å; Q603-I605 VanDerWaalsContact C-N 3.32Å; Q603-I605 PolarHBondContact O-N 3.37Å; Q603-L606 PolarHBondContact O-N 3.16Å; Q603-E607 WeakPolarHBondContact CG-OE1 3.44Å; Q603-E607 PolarHBondContact NE2-OE1 3.48Å; Q603-E607 WeakPolarHBondContact O-CB 3.27Å; Q603-E607 WeakPolarHBondContact O-CG 3.28Å; Q603-E607 PolarHBondContact O-N 3Å
604	D	94.8	Very high	95.4	Very high	9 Å²	9	39.2 Å²	39.2	5%	0.048	23%	0.229	C	C	.	.	H	α-helix	trans	-64.2	-35.1	174.5	176.9	69.8	0	0	0	112.4	K542 H543 T600 L601 S608	K542-D604 VanDerWaalsContact CE-OD1 3.27Å; K542-D604 WeakPolarHBondContact CE-OD1 3.36Å; K542-D604 WeakPolarHBondContact CE-OD2 3.34Å; K542-D604 VanDerWaalsContact CG-OD2 3.32Å; K542-D604 WeakPolarHBondContact CG-OD2 3.13Å; K542-D604 IonicContact NZ-OD2 2.67Å; H543-D604 HydrophobicContact CB-CB 3.68Å; H543-D604 VanDerWaalsContact CB-CG 3.49Å; T600-D604 WeakPolarHBondContact O-CB 3.45Å; T600-D604 PolarHBondContact O-N 2.88Å; L601-D604 PolarHBondContact O-N 3.11Å; D604-S608 WeakPolarHBondContact O-CB 3.27Å; D604-S608 PolarHBondContact O-N 3.31Å; D604-S608 PolarHBondContact O-OG 2.85Å
605	I	96.6	Very high	95.1	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-64.9	-50.6	171.7	-65.9	163.4	0	0	0	110.5	Y540 L601 I602 Q603 E607 S608 H609 L612 L659 L662 F675	Y540-I605 HydrophobicContact CD1-CB 4.3Å; Y540-I605 HydrophobicContact CD1-CG1 3.61Å; Y540-I605 HydrophobicContact CE1-CG1 4.32Å; Y540-I605 HydrophobicContact CG-CG1 3.97Å; L601-I605 HydrophobicContact CD1-CD1 4.33Å; L601-I605 HydrophobicContact CG-CD1 4.16Å; L601-I605 WeakPolarHBondContact O-CG1 3.35Å; L601-I605 PolarHBondContact O-N 3.19Å; I602-I605 HydrophobicContact CD1-CD1 4.15Å; I602-I605 PolarHBondContact O-N 3.07Å; Q603-I605 VanDerWaalsContact C-N 3.32Å; Q603-I605 PolarHBondContact O-N 3.37Å; I605-E607 VanDerWaalsContact C-N 3.34Å; I605-E607 PolarHBondContact O-N 3.44Å; I605-S608 PolarHBondContact O-N 3.04Å; I605-S608 VanDerWaalsContact O-N 3.15Å; I605-H609 HydrophobicContact CG2-CB 4.3Å; I605-H609 VanDerWaalsContact O-CB 3.28Å; I605-H609 WeakPolarHBondContact O-CB 3.4Å; I605-H609 PolarHBondContact O-N 3.48Å; I605-L612 HydrophobicContact CG2-CD1 4.24Å; I605-L659 HydrophobicContact CD1-CD1 3.71Å; I605-L662 HydrophobicContact CD1-CD1 4.14Å; I605-L662 HydrophobicContact CG2-CD1 4.08Å; I605-F675 HydrophobicContact CD1-CE1 3.87Å; I605-F675 HydrophobicContact CD1-CZ 4.46Å
606	L	95.2	Very high	94.5	Very high	4 Å²	4	40.2 Å²	40.2	2%	0.021	23%	0.231	C	C	.	.	H	α-helix	trans	-56.9	-45.9	179.9	-178.6	154.6	0	0	0	111.9	I602 Q603 S608 L615 H622 Y625	I602-L606 WeakPolarHBondContact O-CB 3.39Å; I602-L606 PolarHBondContact O-N 2.97Å; Q603-L606 PolarHBondContact O-N 3.16Å; L606-S608 PolarHBondContact O-N 3.46Å; L606-L615 HydrophobicContact CD1-CD1 4.18Å; L606-L615 HydrophobicContact CG-CD1 4.45Å; L606-H622 HydrophobicContact CD1-CB 4.02Å; L606-H622 VanDerWaalsContact CD2-CE1 3.46Å; L606-H622 WeakPolarHBondContact CD2-CE1 3.13Å; L606-Y625 HydrophobicContact CB-CD1 4.49Å; L606-Y625 HydrophobicContact CB-CE1 4.44Å; L606-Y625 HydrophobicContact CD1-CD1 3.69Å; L606-Y625 HydrophobicContact CD1-CE1 4.38Å; L606-Y625 HydrophobicContact CD1-CG 4.26Å
607	E	93.2	Very high	94	Very high	87 Å²	87	40.6 Å²	40.6	41%	0.407	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.2	-2.7	-178.6	-73	-179	-142.9	0	0	114.7	R555 Q603 I605	R555-E607 IonicContact CZ-OE2 2.97Å; R555-E607 IonicContact NH1-OE2 2.72Å; R555-E607 PolarHBondContact NH1-OE2 3.43Å; R555-E607 IonicContact NH2-OE1 3.89Å; R555-E607 PolarHBondContact NH2-OE1 3Å; R555-E607 IonicContact NH2-OE2 2.76Å; R555-E607 PolarHBondContact NH2-OE2 2.88Å; Q603-E607 WeakPolarHBondContact CG-OE1 3.44Å; Q603-E607 PolarHBondContact NE2-OE1 3.48Å; Q603-E607 WeakPolarHBondContact O-CB 3.27Å; Q603-E607 WeakPolarHBondContact O-CG 3.28Å; Q603-E607 PolarHBondContact O-N 3Å; I605-E607 VanDerWaalsContact C-N 3.34Å; I605-E607 PolarHBondContact O-N 3.44Å
608	S	94	Very high	93.5	Very high	50 Å²	50	40.7 Å²	40.7	35%	0.35	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-147.3	-6	-171.5	71	0	0	0	0	117.4	K542 D604 I605 L606	K542-S608 PolarHBondContact NZ-OG 2.86Å; D604-S608 WeakPolarHBondContact O-CB 3.27Å; D604-S608 PolarHBondContact O-N 3.31Å; D604-S608 PolarHBondContact O-OG 2.85Å; I605-S608 PolarHBondContact O-N 3.04Å; I605-S608 VanDerWaalsContact O-N 3.15Å; L606-S608 PolarHBondContact O-N 3.46Å
609	H	97	Very high	93.1	Very high	1 Å²	1	47.4 Å²	47.4	1%	0.005	27%	0.272	C	S	.	.			trans	-77.7	128.6	170.7	-161.7	-73.4	0	0	0	109.6	Y540 I605 G611 L612 A613 L662 E665	Y540-H609 AromaticContact CZ-CD2 3.76Å; Y540-H609 PolarHBondContact OH-CD2 3.37Å; I605-H609 HydrophobicContact CG2-CB 4.3Å; I605-H609 VanDerWaalsContact O-CB 3.28Å; I605-H609 WeakPolarHBondContact O-CB 3.4Å; I605-H609 PolarHBondContact O-N 3.48Å; H609-G611 VanDerWaalsContact C-N 3.34Å; H609-G611 PolarHBondContact ND1-N 3.46Å; H609-G611 PolarHBondContact O-N 3.21Å; H609-L612 HydrophobicContact CB-CB 4.27Å; H609-L612 HydrophobicContact CB-CD1 4.03Å; H609-L612 HydrophobicContact CB-CG 4.26Å; H609-L612 PolarHBondContact O-N 3.12Å; H609-A613 PolarHBondContact O-N 3.28Å; H609-L662 PolarHBondContact NE2-O 2.87Å; H609-E665 PolarHBondContact CE1-O 3.43Å; H609-E665 VanDerWaalsContact CE1-O 3.24Å; H609-E665 PolarHBondContact NE2-O 3.31Å
610	P	96.3	Very high	92.5	Very high	73 Å²	73	47.6 Å²	47.6	47%	0.474	27%	0.273	S	S	.	.	G	3₁₀ helix	trans	-59	-44	-176.8	21.6	-31.7	0	0	0	112.1	L612 A613 D666	P610-L612 PolarHBondContact O-N 2.94Å; P610-L612 VanDerWaalsContact O-N 3.07Å; P610-A613 WeakPolarHBondContact O-CB 3.35Å; P610-A613 PolarHBondContact O-N 3.03Å; P610-D666 HydrophobicContact CG-CB 4.33Å; P610-D666 VanDerWaalsContact CG-OD1 3.3Å; P610-D666 WeakPolarHBondContact CG-OD1 3.48Å
611	G	95.1	Very high	92.4	Very high	19 Å²	19	45.7 Å²	45.7	20%	0.196	26%	0.259	C	S	.	.	G	3₁₀ helix	trans	-64.6	0.3	173.1	0	0	0	0	0	117.1	H609 F614 D666 I668	H609-G611 VanDerWaalsContact C-N 3.34Å; H609-G611 PolarHBondContact ND1-N 3.46Å; H609-G611 PolarHBondContact O-N 3.21Å; G611-F614 WeakPolarHBondContact O-CE1 3.41Å; G611-D666 WeakPolarHBondContact CA-O 3.34Å; G611-D666 PolarHBondContact N-O 3.33Å; G611-D666 VanDerWaalsContact N-O 3.1Å; G611-I668 WeakPolarHBondContact O-CG2 3.48Å
612	L	95.6	Very high	92.3	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	26%	0.263	C	S	.	.	G	3₁₀ helix	trans	-119.1	-3.8	173.2	-66	172	0	0	0	113.2	I605 H609 P610 F614 L615 Y625 I668 Y677	I605-L612 HydrophobicContact CG2-CD1 4.24Å; H609-L612 HydrophobicContact CB-CB 4.27Å; H609-L612 HydrophobicContact CB-CD1 4.03Å; H609-L612 HydrophobicContact CB-CG 4.26Å; H609-L612 PolarHBondContact O-N 3.12Å; P610-L612 PolarHBondContact O-N 2.94Å; P610-L612 VanDerWaalsContact O-N 3.07Å; L612-F614 PolarHBondContact O-N 2.85Å; L612-F614 VanDerWaalsContact O-N 3.07Å; L612-L615 HydrophobicContact CD2-CD1 4.07Å; L612-L615 WeakPolarHBondContact O-CB 3.32Å; L612-L615 PolarHBondContact O-N 3.17Å; L612-Y625 HydrophobicContact CD1-CE1 4.02Å; L612-Y625 WeakPolarHBondContact CD1-OH 3.14Å; L612-Y625 HydrophobicContact CD2-CE2 4.11Å; L612-I668 HydrophobicContact CD1-CD1 4.28Å; L612-I668 HydrophobicContact CD1-CG1 4.2Å; L612-I668 HydrophobicContact CD2-CB 4.44Å; L612-I668 HydrophobicContact CD2-CG1 4.12Å; L612-I668 HydrophobicContact CD2-CG2 3.96Å; L612-I668 HydrophobicContact CG-CB 4.38Å; L612-I668 HydrophobicContact CG-CG1 4.08Å; L612-I668 HydrophobicContact CG-CG2 4.36Å; L612-Y677 HydrophobicContact CD2-CD2 4.36Å
613	A	93.6	Very high	92.2	Very high	57 Å²	57	50 Å²	50	47%	0.471	29%	0.287	S	S	.	.	G	3₁₀ helix	trans	-59.8	-25.5	-173.4	0	0	0	0	0	114.2	H609 P610 L615 E616	H609-A613 PolarHBondContact O-N 3.28Å; P610-A613 WeakPolarHBondContact O-CB 3.35Å; P610-A613 PolarHBondContact O-N 3.03Å; A613-L615 PolarHBondContact O-N 3.39Å; A613-E616 WeakPolarHBondContact O-CB 3.38Å; A613-E616 PolarHBondContact O-N 2.95Å; A613-E616 VanDerWaalsContact O-N 3.15Å
614	F	91.9	Very high	92.2	Very high	87 Å²	87	49.4 Å²	49.4	38%	0.382	28%	0.282	S	S	.	.	G	3₁₀ helix	trans	-63.4	-22.4	175.2	71.2	-89.6	0	0	0	113.1	G611 L612 E616 Y677 V960	G611-F614 WeakPolarHBondContact O-CE1 3.41Å; L612-F614 PolarHBondContact O-N 2.85Å; L612-F614 VanDerWaalsContact O-N 3.07Å; F614-E616 VanDerWaalsContact C-N 3.27Å; F614-E616 PolarHBondContact O-N 3.07Å; F614-Y677 HydrophobicContact CE2-CE1 4.01Å; F614-Y677 HydrophobicContact CE2-CE2 4.1Å; F614-Y677 AromaticContact CE2-CZ 3.78Å; F614-Y677 AromaticContact CZ-CD1 3.77Å; F614-Y677 HydrophobicContact CZ-CD1 3.77Å; F614-Y677 AromaticContact CZ-CD2 3.91Å; F614-Y677 HydrophobicContact CZ-CD2 3.91Å; F614-Y677 AromaticContact CZ-CE1 3.71Å; F614-Y677 HydrophobicContact CZ-CE1 3.71Å; F614-Y677 AromaticContact CZ-CE2 3.85Å; F614-Y677 HydrophobicContact CZ-CE2 3.85Å; F614-Y677 AromaticContact CZ-CG 3.87Å; F614-Y677 HydrophobicContact CZ-CG 3.87Å; F614-Y677 AromaticContact CZ-CZ 3.75Å; F614-V960 HydrophobicContact CD1-CG1 4.47Å; F614-V960 HydrophobicContact CG-CG1 4.43Å
615	L	90	Very high	92.3	Very high	2 Å²	2	49 Å²	49	1%	0.01	28%	0.28	C	S	.	.	G	3₁₀ helix	trans	-74.4	-10.4	175.9	-65.9	176	0	0	0	113.6	L606 L612 A613 A617 A618 H622 Y677	L606-L615 HydrophobicContact CD1-CD1 4.18Å; L606-L615 HydrophobicContact CG-CD1 4.45Å; L612-L615 HydrophobicContact CD2-CD1 4.07Å; L612-L615 WeakPolarHBondContact O-CB 3.32Å; L612-L615 PolarHBondContact O-N 3.17Å; A613-L615 PolarHBondContact O-N 3.39Å; L615-A617 PolarHBondContact O-N 2.95Å; L615-A617 VanDerWaalsContact O-N 3.1Å; L615-A618 HydrophobicContact CD2-CB 4.4Å; L615-A618 PolarHBondContact O-N 3.49Å; L615-H622 PolarHBondContact O-NE2 3.38Å; L615-Y677 HydrophobicContact CD1-CD2 3.99Å; L615-Y677 HydrophobicContact CD1-CE2 3.84Å; L615-Y677 HydrophobicContact CD2-CE2 3.74Å; L615-Y677 HydrophobicContact CG-CE2 4.21Å
616	E	84.9	Confident	92.4	Very high	152 Å²	152	49.6 Å²	49.6	71%	0.71	28%	0.284	S	S	*	.	G	3₁₀ helix	trans	-54.7	-34.5	-176.9	-173.5	177	-171.5	0	0	112.9	A613 F614 K619	A613-E616 WeakPolarHBondContact O-CB 3.38Å; A613-E616 PolarHBondContact O-N 2.95Å; A613-E616 VanDerWaalsContact O-N 3.15Å; F614-E616 VanDerWaalsContact C-N 3.27Å; F614-E616 PolarHBondContact O-N 3.07Å; E616-K619 WeakPolarHBondContact O-CE 3.38Å
617	A	85.7	Confident	92.5	Very high	84 Å²	84	50.8 Å²	50.8	69%	0.694	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.4	-44.4	172.9	0	0	0	0	0	113	L615 K619	L615-A617 PolarHBondContact O-N 2.95Å; L615-A617 VanDerWaalsContact O-N 3.1Å; A617-K619 VanDerWaalsContact C-N 3.31Å; A617-K619 PolarHBondContact O-N 3.33Å
618	A	87	Confident	92.7	Very high	29 Å²	29	46.7 Å²	46.7	24%	0.24	28%	0.275	C	S	.	.			trans	-83.3	59.9	-169.5	0	0	0	0	0	113.4	L615 D620 F621 H622	L615-A618 HydrophobicContact CD2-CB 4.4Å; L615-A618 PolarHBondContact O-N 3.49Å; A618-D620 VanDerWaalsContact C-N 3.33Å; A618-D620 PolarHBondContact O-N 3.33Å; A618-F621 HydrophobicContact CB-CD2 3.9Å; A618-F621 HydrophobicContact CB-CE2 4.45Å; A618-F621 PolarHBondContact O-N 3.19Å; A618-H622 PolarHBondContact O-CD2 3.11Å
619	K	87.2	Confident	92.9	Very high	143 Å²	143	44.4 Å²	44.4	62%	0.622	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.1	-32.5	-168.8	-69.3	-177.2	-180	176.9	0	115.4	E616 A617 F621 H622	E616-K619 WeakPolarHBondContact O-CE 3.38Å; A617-K619 VanDerWaalsContact C-N 3.31Å; A617-K619 PolarHBondContact O-N 3.33Å; K619-F621 PolarHBondContact O-N 3.07Å; K619-H622 VanDerWaalsContact O-CB 3.3Å; K619-H622 WeakPolarHBondContact O-CB 3.28Å; K619-H622 PolarHBondContact O-N 2.96Å
620	D	84.9	Confident	93	Very high	79 Å²	79	44.5 Å²	44.5	42%	0.422	26%	0.259	S	S	.	.	H	α-helix	trans	-53.9	-39.1	177.4	-64.7	8.8	0	0	0	111.6	A618 H622 S623 N973	A618-D620 VanDerWaalsContact C-N 3.33Å; A618-D620 PolarHBondContact O-N 3.33Å; D620-H622 VanDerWaalsContact C-N 3.34Å; D620-H622 PolarHBondContact O-N 3.37Å; D620-S623 PolarHBondContact O-OG 2.67Å; D620-N973 PolarHBondContact OD2-ND2 3.15Å
621	F	90.5	Very high	93.1	Very high	29 Å²	29	41.1 Å²	41.1	13%	0.127	24%	0.238	C	C	.	.	H	α-helix	trans	-72.8	-19.3	179.8	-64.8	-98.3	0	0	0	113.7	A618 K619 S623 R624 Y625 F680 Y684 L969	A618-F621 HydrophobicContact CB-CD2 3.9Å; A618-F621 HydrophobicContact CB-CE2 4.45Å; A618-F621 PolarHBondContact O-N 3.19Å; K619-F621 PolarHBondContact O-N 3.07Å; F621-S623 VanDerWaalsContact C-N 3.31Å; F621-S623 PolarHBondContact O-N 2.76Å; F621-R624 PolarHBondContact O-N 3.27Å; F621-R624 VanDerWaalsContact O-N 3.12Å; F621-Y625 PolarHBondContact O-N 3.41Å; F621-F680 HydrophobicContact CB-CZ 4.44Å; F621-F680 HydrophobicContact CD1-CE1 4.3Å; F621-F680 HydrophobicContact CD1-CZ 4.13Å; F621-Y684 HydrophobicContact CD1-CD1 4.29Å; F621-Y684 HydrophobicContact CD1-CE1 4.12Å; F621-Y684 AromaticContact CE1-CD1 3.88Å; F621-Y684 HydrophobicContact CE1-CD1 3.88Å; F621-Y684 AromaticContact CE1-CE1 3.56Å; F621-Y684 HydrophobicContact CE1-CE1 3.56Å; F621-Y684 HydrophobicContact CZ-CE1 4.36Å; F621-L969 HydrophobicContact CZ-CD1 3.84Å
622	H	93.3	Very high	93.2	Very high	22 Å²	22	40.7 Å²	40.7	10%	0.102	23%	0.23	C	C	.	.	H	α-helix	trans	-58.5	-46.8	-178.3	-68.9	-161.6	0	0	0	110.7	L606 L615 A618 K619 D620 R624 Y625 V626	L606-H622 HydrophobicContact CD1-CB 4.02Å; L606-H622 VanDerWaalsContact CD2-CE1 3.46Å; L606-H622 WeakPolarHBondContact CD2-CE1 3.13Å; L615-H622 PolarHBondContact O-NE2 3.38Å; A618-H622 PolarHBondContact O-CD2 3.11Å; K619-H622 VanDerWaalsContact O-CB 3.3Å; K619-H622 WeakPolarHBondContact O-CB 3.28Å; K619-H622 PolarHBondContact O-N 2.96Å; D620-H622 VanDerWaalsContact C-N 3.34Å; D620-H622 PolarHBondContact O-N 3.37Å; H622-R624 VanDerWaalsContact C-N 3.27Å; H622-R624 PolarHBondContact O-N 3.03Å; H622-Y625 PolarHBondContact O-N 3.27Å; H622-V626 WeakPolarHBondContact O-CB 3.37Å; H622-V626 VanDerWaalsContact O-CG2 3.27Å; H622-V626 WeakPolarHBondContact O-CG2 3.45Å; H622-V626 PolarHBondContact O-N 3.37Å
623	S	94.1	Very high	93.4	Very high	70 Å²	70	40.7 Å²	40.7	49%	0.49	23%	0.23	S	C	.	.	H	α-helix	trans	-58.5	-39.2	178.5	68.9	0	0	0	0	112.3	D620 F621 A627	D620-S623 PolarHBondContact O-OG 2.67Å; F621-S623 VanDerWaalsContact C-N 3.31Å; F621-S623 PolarHBondContact O-N 2.76Å; S623-A627 VanDerWaalsContact O-CB 3.28Å; S623-A627 WeakPolarHBondContact O-CB 3.3Å; S623-A627 PolarHBondContact O-N 3.16Å
624	R	95.4	Very high	93.6	Very high	41 Å²	41	38 Å²	38	16%	0.155	21%	0.208	C	C	.	.	H	α-helix	trans	-75.8	-44.3	-177.8	-59.4	-71.1	152	177.1	-6.1	111.6	F621 H622 A627 T628 F680 Y684 L696 Y737	F621-R624 PolarHBondContact O-N 3.27Å; F621-R624 VanDerWaalsContact O-N 3.12Å; H622-R624 VanDerWaalsContact C-N 3.27Å; H622-R624 PolarHBondContact O-N 3.03Å; R624-A627 PolarHBondContact O-N 2.98Å; R624-T628 WeakPolarHBondContact O-CB 3.05Å; R624-T628 PolarHBondContact O-N 2.97Å; R624-T628 PolarHBondContact O-OG1 3.49Å; R624-F680 VanDerWaalsContact C-CE2 3.43Å; R624-F680 HydrophobicContact CB-CE2 3.63Å; R624-F680 HydrophobicContact CB-CZ 3.88Å; R624-Y684 HydrophobicContact CB-CD2 4.09Å; R624-Y684 HydrophobicContact CB-CE2 4.21Å; R624-Y684 HydrophobicContact CG-CD2 4.05Å; R624-Y684 HydrophobicContact CG-CE2 3.67Å; R624-L696 VanDerWaalsContact NH2-CD2 3.34Å; R624-Y737 HydrophobicContact CB-CE1 4.1Å; R624-Y737 VanDerWaalsContact NH1-CB 3.26Å
625	Y	97.6	Very high	93.9	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-60.6	-48.6	174.2	175.8	-92.3	0	0	0	110.8	I602 L606 L612 F621 H622 A627 T628 V629 F675 Y677 F680	I602-Y625 HydrophobicContact CG2-CD1 4.19Å; I602-Y625 HydrophobicContact CG2-CE1 3.86Å; L606-Y625 HydrophobicContact CB-CD1 4.49Å; L606-Y625 HydrophobicContact CB-CE1 4.44Å; L606-Y625 HydrophobicContact CD1-CD1 3.69Å; L606-Y625 HydrophobicContact CD1-CE1 4.38Å; L606-Y625 HydrophobicContact CD1-CG 4.26Å; L612-Y625 HydrophobicContact CD1-CE1 4.02Å; L612-Y625 WeakPolarHBondContact CD1-OH 3.14Å; L612-Y625 HydrophobicContact CD2-CE2 4.11Å; F621-Y625 PolarHBondContact O-N 3.41Å; H622-Y625 PolarHBondContact O-N 3.27Å; Y625-A627 PolarHBondContact O-N 3.28Å; Y625-T628 PolarHBondContact O-N 2.72Å; Y625-V629 HydrophobicContact CD1-CG2 4.19Å; Y625-V629 HydrophobicContact CD2-CG2 4.28Å; Y625-V629 HydrophobicContact CE1-CG2 3.79Å; Y625-V629 HydrophobicContact CE2-CG2 3.86Å; Y625-V629 HydrophobicContact CG-CG2 4.44Å; Y625-V629 WeakPolarHBondContact O-CG2 3.46Å; Y625-V629 PolarHBondContact O-N 3.44Å; Y625-F675 PolarHBondContact OH-O 2.94Å; Y625-Y677 HydrophobicContact CD2-CD2 4.3Å; Y625-F680 HydrophobicContact CD2-CB 4.03Å; Y625-F680 AromaticContact CD2-CD1 3.96Å; Y625-F680 HydrophobicContact CD2-CD1 3.96Å; Y625-F680 HydrophobicContact CD2-CD2 4.48Å; Y625-F680 AromaticContact CD2-CG 3.86Å; Y625-F680 HydrophobicContact CD2-CG 3.86Å; Y625-F680 VanDerWaalsContact N-CE2 3.34Å
626	V	97.6	Very high	94.3	Very high	13 Å²	13	36.6 Å²	36.6	8%	0.079	20%	0.204	C	C	.	.	H	α-helix	trans	-57.7	-48.9	176	170.2	0	0	0	0	111	N599 I602 H622 T628 V629 V630	N599-V626 HydrophobicContact CB-CG1 4.3Å; I602-V626 HydrophobicContact CB-CG1 4.27Å; I602-V626 HydrophobicContact CB-CG2 4.16Å; I602-V626 HydrophobicContact CG2-CB 4.4Å; I602-V626 HydrophobicContact CG2-CG2 3.95Å; H622-V626 WeakPolarHBondContact O-CB 3.37Å; H622-V626 VanDerWaalsContact O-CG2 3.27Å; H622-V626 WeakPolarHBondContact O-CG2 3.45Å; H622-V626 PolarHBondContact O-N 3.37Å; V626-T628 PolarHBondContact O-N 2.95Å; V626-V629 PolarHBondContact O-N 2.83Å; V626-V630 HydrophobicContact CG1-CG2 4.49Å; V626-V630 WeakPolarHBondContact O-CB 3.09Å; V626-V630 VanDerWaalsContact O-CG2 3.27Å; V626-V630 WeakPolarHBondContact O-CG2 3.49Å; V626-V630 PolarHBondContact O-N 3.42Å
627	A	97.2	Very high	94.9	Very high	29 Å²	29	29.6 Å²	29.6	24%	0.24	17%	0.172	C	C	.	.	H	α-helix	trans	-59.4	-43.3	178	0	0	0	0	0	112.6	S623 R624 Y625 V630 A631 Y737	S623-A627 VanDerWaalsContact O-CB 3.28Å; S623-A627 WeakPolarHBondContact O-CB 3.3Å; S623-A627 PolarHBondContact O-N 3.16Å; R624-A627 PolarHBondContact O-N 2.98Å; Y625-A627 PolarHBondContact O-N 3.28Å; A627-V630 PolarHBondContact O-N 2.76Å; A627-A631 VanDerWaalsContact O-CB 3.29Å; A627-A631 WeakPolarHBondContact O-CB 3.16Å; A627-A631 PolarHBondContact O-N 2.87Å; A627-Y737 HydrophobicContact CB-CD1 4.23Å; A627-Y737 HydrophobicContact CB-CE1 4.3Å
628	T	98.3	Very high	95.5	Very high	1 Å²	1	25.7 Å²	25.7	1%	0.006	14%	0.139	C	C	.	.	H	α-helix	trans	-69.3	-43.5	-179.8	-74.7	0	0	0	0	112.6	R624 Y625 V626 V630 A631 R632 F680 I683 Y737 V741	R624-T628 WeakPolarHBondContact O-CB 3.05Å; R624-T628 PolarHBondContact O-N 2.97Å; R624-T628 PolarHBondContact O-OG1 3.49Å; Y625-T628 PolarHBondContact O-N 2.72Å; V626-T628 PolarHBondContact O-N 2.95Å; T628-V630 VanDerWaalsContact C-N 3.35Å; T628-V630 PolarHBondContact O-N 3.39Å; T628-A631 PolarHBondContact O-N 2.73Å; T628-R632 HydrophobicContact CG2-CG 4.44Å; T628-R632 WeakPolarHBondContact O-CB 3.25Å; T628-R632 VanDerWaalsContact O-CG 3.29Å; T628-R632 WeakPolarHBondContact O-CG 3.34Å; T628-R632 PolarHBondContact O-N 3.36Å; T628-F680 HydrophobicContact CG2-CB 4.28Å; T628-F680 HydrophobicContact CG2-CD2 4.12Å; T628-I683 HydrophobicContact CG2-CD1 3.76Å; T628-Y737 WeakPolarHBondContact OG1-CE1 3.4Å; T628-Y737 VanDerWaalsContact OG1-CZ 3.28Å; T628-Y737 PolarHBondContact OG1-OH 3.28Å; T628-V741 HydrophobicContact CG2-CG1 4.43Å; T628-V741 WeakPolarHBondContact OG1-CG2 3.49Å
629	V	98.6	Very high	95.9	Very high	1 Å²	1	28.1 Å²	28.1	1%	0.006	15%	0.147	C	C	.	.	H	α-helix	trans	-62	-43.7	174.7	175.2	0	0	0	0	110.5	I602 Y625 V626 R632 I633 F675	I602-V629 HydrophobicContact CD1-CG1 3.73Å; I602-V629 HydrophobicContact CG1-CG1 4.04Å; I602-V629 HydrophobicContact CG2-CB 3.97Å; I602-V629 HydrophobicContact CG2-CG1 4.01Å; I602-V629 HydrophobicContact CG2-CG2 4.28Å; Y625-V629 HydrophobicContact CD1-CG2 4.19Å; Y625-V629 HydrophobicContact CD2-CG2 4.28Å; Y625-V629 HydrophobicContact CE1-CG2 3.79Å; Y625-V629 HydrophobicContact CE2-CG2 3.86Å; Y625-V629 HydrophobicContact CG-CG2 4.44Å; Y625-V629 WeakPolarHBondContact O-CG2 3.46Å; Y625-V629 PolarHBondContact O-N 3.44Å; V626-V629 PolarHBondContact O-N 2.83Å; V629-R632 PolarHBondContact O-N 2.88Å; V629-I633 HydrophobicContact CG1-CD1 3.92Å; V629-I633 HydrophobicContact CG1-CG1 4.5Å; V629-I633 VanDerWaalsContact O-CG1 3.24Å; V629-I633 WeakPolarHBondContact O-CG1 3.35Å; V629-I633 PolarHBondContact O-N 3.26Å; V629-F675 HydrophobicContact CG1-CD1 3.81Å; V629-F675 HydrophobicContact CG1-CE1 3.93Å
630	V	98.4	Very high	96.3	Very high	3 Å²	3	24.4 Å²	24.4	2%	0.018	14%	0.139	C	C	.	.	H	α-helix	trans	-64.3	-41.3	176.4	174.1	0	0	0	0	111.7	Q595 F598 I602 V626 A627 T628 I633 F634	Q595-V630 HydrophobicContact CB-CG1 3.72Å; Q595-V630 HydrophobicContact CG-CG1 3.98Å; F598-V630 HydrophobicContact CB-CG2 3.71Å; I602-V630 HydrophobicContact CG1-CG2 3.96Å; V626-V630 HydrophobicContact CG1-CG2 4.49Å; V626-V630 WeakPolarHBondContact O-CB 3.09Å; V626-V630 VanDerWaalsContact O-CG2 3.27Å; V626-V630 WeakPolarHBondContact O-CG2 3.49Å; V626-V630 PolarHBondContact O-N 3.42Å; A627-V630 PolarHBondContact O-N 2.76Å; T628-V630 VanDerWaalsContact C-N 3.35Å; T628-V630 PolarHBondContact O-N 3.39Å; V630-I633 PolarHBondContact O-N 2.99Å; V630-F634 HydrophobicContact CG1-CD2 4.15Å; V630-F634 HydrophobicContact CG1-CE2 4.35Å; V630-F634 WeakPolarHBondContact O-CD2 3.37Å; V630-F634 PolarHBondContact O-N 3.18Å
631	A	97.9	Very high	96.8	Very high	3 Å²	3	22 Å²	22	3%	0.025	12%	0.124	C	C	.	.	H	α-helix	trans	-61.9	-45.3	174.2	0	0	0	0	0	111.7	A627 T628 I633 F634 F635 V741 W742	A627-A631 VanDerWaalsContact O-CB 3.29Å; A627-A631 WeakPolarHBondContact O-CB 3.16Å; A627-A631 PolarHBondContact O-N 2.87Å; T628-A631 PolarHBondContact O-N 2.73Å; A631-I633 VanDerWaalsContact C-N 3.33Å; A631-I633 PolarHBondContact O-N 3.27Å; A631-F634 PolarHBondContact O-N 3.1Å; A631-F635 WeakPolarHBondContact O-CB 3.47Å; A631-F635 PolarHBondContact O-N 2.83Å; A631-V741 HydrophobicContact CB-CB 3.92Å; A631-V741 HydrophobicContact CB-CG1 3.61Å; A631-V741 HydrophobicContact CB-CG2 4.4Å; A631-W742 PolarHBondContact O-NE1 3.5Å
632	R	98.5	Very high	97.1	Very high	9 Å²	9	23.4 Å²	23.4	3%	0.034	14%	0.137	C	C	.	.	H	α-helix	trans	-62.2	-35.5	174.6	-70	-179.7	84.3	-146.8	-2.2	112.5	T628 V629 N636 T672 Y674 H679 V741 L745	T628-R632 HydrophobicContact CG2-CG 4.44Å; T628-R632 WeakPolarHBondContact O-CB 3.25Å; T628-R632 VanDerWaalsContact O-CG 3.29Å; T628-R632 WeakPolarHBondContact O-CG 3.34Å; T628-R632 PolarHBondContact O-N 3.36Å; V629-R632 PolarHBondContact O-N 2.88Å; R632-N636 PolarHBondContact O-N 2.98Å; R632-N636 PolarHBondContact O-ND2 2.85Å; R632-T672 PolarHBondContact NH1-O 2.99Å; R632-T672 PolarHBondContact NH2-O 3.03Å; R632-Y674 PolarHBondContact NH1-O 2.72Å; R632-H679 PolarHBondContact NH2-ND1 3.08Å; R632-V741 HydrophobicContact CG-CG1 4.47Å; R632-L745 HydrophobicContact CG-CD1 3.99Å
633	I	98.6	Very high	97.2	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-64.2	-50.1	172.6	-69.4	163.7	0	0	0	110.6	F598 I602 V629 V630 A631 F635 N636 V637 I645 F655 Y674	F598-I633 HydrophobicContact CD1-CD1 3.92Å; F598-I633 HydrophobicContact CD1-CG2 4.43Å; F598-I633 HydrophobicContact CE1-CD1 4.2Å; F598-I633 HydrophobicContact CE1-CG2 3.87Å; F598-I633 HydrophobicContact CE2-CG2 4.42Å; F598-I633 HydrophobicContact CZ-CG2 3.85Å; I602-I633 HydrophobicContact CD1-CD1 4.08Å; V629-I633 HydrophobicContact CG1-CD1 3.92Å; V629-I633 HydrophobicContact CG1-CG1 4.5Å; V629-I633 VanDerWaalsContact O-CG1 3.24Å; V629-I633 WeakPolarHBondContact O-CG1 3.35Å; V629-I633 PolarHBondContact O-N 3.26Å; V630-I633 PolarHBondContact O-N 2.99Å; A631-I633 VanDerWaalsContact C-N 3.33Å; A631-I633 PolarHBondContact O-N 3.27Å; I633-F635 PolarHBondContact O-N 3.24Å; I633-N636 PolarHBondContact O-N 3.42Å; I633-V637 HydrophobicContact CG2-CG2 4.26Å; I633-V637 VanDerWaalsContact O-CB 3.27Å; I633-V637 WeakPolarHBondContact O-CB 3.34Å; I633-V637 VanDerWaalsContact O-CG2 3.31Å; I633-V637 WeakPolarHBondContact O-CG2 3.49Å; I633-V637 PolarHBondContact O-N 3.24Å; I633-I645 HydrophobicContact CG2-CD1 3.83Å; I633-F655 HydrophobicContact CD1-CD2 4.28Å; I633-F655 HydrophobicContact CD1-CE2 3.45Å; I633-F655 VanDerWaalsContact CD1-CE2 3.45Å; I633-F655 HydrophobicContact CD1-CZ 3.94Å; I633-F655 HydrophobicContact CG1-CD2 3.96Å; I633-F655 HydrophobicContact CG1-CE2 3.63Å; I633-F655 HydrophobicContact CG1-CZ 4.49Å; I633-F655 HydrophobicContact CG2-CD2 4.45Å; I633-F655 HydrophobicContact CG2-CE2 4.47Å; I633-Y674 HydrophobicContact CB-CD1 4.26Å; I633-Y674 HydrophobicContact CG1-CD1 3.57Å; I633-Y674 HydrophobicContact CG1-CE1 4.28Å; I633-Y674 HydrophobicContact CG1-CG 4.22Å
634	F	98.2	Very high	97.3	Very high	2 Å²	2	26.9 Å²	26.9	1%	0.009	15%	0.148	C	C	.	.	H	α-helix	trans	-70.4	-30.7	-179.4	-85.6	-102.4	0	0	0	113.3	V594 Q595 F598 V630 A631 N638 I645 W742	V594-F634 VanDerWaalsContact C-CZ 3.44Å; Q595-F634 HydrophobicContact CB-CE2 4.29Å; Q595-F634 HydrophobicContact CG-CD1 4.22Å; Q595-F634 HydrophobicContact CG-CD2 3.84Å; Q595-F634 HydrophobicContact CG-CE1 4.21Å; Q595-F634 HydrophobicContact CG-CE2 3.83Å; Q595-F634 HydrophobicContact CG-CG 4.05Å; Q595-F634 HydrophobicContact CG-CZ 4.03Å; F598-F634 AromaticContact CD2-CE2 3.71Å; F598-F634 HydrophobicContact CD2-CE2 3.71Å; F598-F634 HydrophobicContact CD2-CZ 4.38Å; F598-F634 AromaticContact CE2-CE2 3.56Å; F598-F634 HydrophobicContact CE2-CE2 3.56Å; F598-F634 HydrophobicContact CE2-CZ 4.01Å; V630-F634 HydrophobicContact CG1-CD2 4.15Å; V630-F634 HydrophobicContact CG1-CE2 4.35Å; V630-F634 WeakPolarHBondContact O-CD2 3.37Å; V630-F634 PolarHBondContact O-N 3.18Å; A631-F634 PolarHBondContact O-N 3.1Å; F634-N638 HydrophobicContact CD1-CB 3.89Å; F634-N638 WeakPolarHBondContact O-CB 3.44Å; F634-N638 PolarHBondContact O-N 3.02Å; F634-I645 HydrophobicContact CD1-CD1 4.12Å; F634-I645 HydrophobicContact CD1-CG1 4.1Å; F634-I645 HydrophobicContact CD2-CD1 3.87Å; F634-I645 HydrophobicContact CE1-CD1 3.93Å; F634-I645 HydrophobicContact CE1-CG1 3.76Å; F634-I645 HydrophobicContact CE2-CD1 3.66Å; F634-I645 HydrophobicContact CE2-CG1 4.39Å; F634-I645 HydrophobicContact CG-CD1 4.08Å; F634-I645 HydrophobicContact CZ-CD1 3.68Å; F634-I645 HydrophobicContact CZ-CG1 3.91Å; F634-W742 VanDerWaalsContact C-CZ2 3.5Å; F634-W742 HydrophobicContact CB-CZ2 3.95Å
635	F	98.1	Very high	97.5	Very high	6 Å²	6	24.9 Å²	24.9	3%	0.026	14%	0.14	C	C	.	.	H	α-helix	trans	-58.1	-55	171.8	-172.4	-102.2	0	0	0	110	A631 I633 W742 L745 A746 H752 R754	A631-F635 WeakPolarHBondContact O-CB 3.47Å; A631-F635 PolarHBondContact O-N 2.83Å; I633-F635 PolarHBondContact O-N 3.24Å; F635-W742 HydrophobicContact CB-CD2 4.5Å; F635-W742 HydrophobicContact CB-CZ2 4.3Å; F635-W742 AromaticContact CD2-CD2 3.79Å; F635-W742 HydrophobicContact CD2-CD2 3.79Å; F635-W742 AromaticContact CD2-CE3 3.71Å; F635-W742 HydrophobicContact CD2-CE3 3.71Å; F635-W742 HydrophobicContact CD2-CG 4.19Å; F635-W742 HydrophobicContact CD2-CZ3 4.19Å; F635-W742 HydrophobicContact CE2-CE3 4.34Å; F635-L745 HydrophobicContact CB-CD1 4.22Å; F635-L745 HydrophobicContact CD1-CB 4.37Å; F635-L745 HydrophobicContact CD1-CD1 4.04Å; F635-L745 HydrophobicContact CD2-CB 4.33Å; F635-L745 HydrophobicContact CD2-CD1 4.19Å; F635-L745 HydrophobicContact CE1-CB 3.87Å; F635-L745 HydrophobicContact CE1-CD1 4.38Å; F635-L745 HydrophobicContact CE2-CB 3.87Å; F635-L745 HydrophobicContact CG-CD1 3.92Å; F635-L745 HydrophobicContact CZ-CB 3.61Å; F635-A746 HydrophobicContact CE2-CB 4.47Å; F635-H752 AromaticContact CD1-CE1 3.84Å; F635-H752 AromaticContact CD1-ND1 3.89Å; F635-H752 AromaticContact CE1-CE1 3.59Å; F635-H752 AromaticContact CE1-ND1 3.16Å; F635-H752 WeakPolarHBondContact CE1-ND1 3.25Å; F635-H752 AromaticContact CZ-ND1 3.81Å; F635-R754 HydrophobicContact CE1-CB 4.27Å; F635-R754 HydrophobicContact CE2-CB 4.27Å; F635-R754 HydrophobicContact CZ-CB 4.13Å; F635-R754 WeakPolarHBondContact O-CG 3.16Å; F635-R754 PolarHBondContact O-NE 3.44Å; F635-R754 PolarHBondContact O-NH2 3.26Å
636	N	97.7	Very high	97.4	Very high	53 Å²	53	27 Å²	27	28%	0.283	16%	0.155	S	C	.	.	H	α-helix	trans	-77.7	-40.1	-175.8	-68.8	-66	0	0	0	114.3	R632 I633 Y674 H752	R632-N636 PolarHBondContact O-N 2.98Å; R632-N636 PolarHBondContact O-ND2 2.85Å; I633-N636 PolarHBondContact O-N 3.42Å; N636-Y674 HydrophobicContact CB-CE1 3.9Å; N636-H752 PolarHBondContact OD1-CE1 3.1Å; N636-H752 PolarHBondContact OD1-NE2 3.5Å
637	V	98.2	Very high	97.4	Very high	4 Å²	4	27 Å²	27	2%	0.024	16%	0.155	C	C	.	.	H	α-helix	trans	-91.2	-38.5	-169.1	-176.4	0	0	0	0	113.3	I633 I639 I645 E649 F655 Y674	I633-V637 HydrophobicContact CG2-CG2 4.26Å; I633-V637 VanDerWaalsContact O-CB 3.27Å; I633-V637 WeakPolarHBondContact O-CB 3.34Å; I633-V637 VanDerWaalsContact O-CG2 3.31Å; I633-V637 WeakPolarHBondContact O-CG2 3.49Å; I633-V637 PolarHBondContact O-N 3.24Å; V637-I639 VanDerWaalsContact C-N 3.25Å; V637-I639 PolarHBondContact O-N 3.3Å; V637-I645 HydrophobicContact CB-CD1 3.9Å; V637-I645 HydrophobicContact CB-CG1 4.31Å; V637-I645 HydrophobicContact CG1-CB 4.49Å; V637-I645 HydrophobicContact CG1-CD1 3.92Å; V637-I645 HydrophobicContact CG1-CG1 4.03Å; V637-I645 HydrophobicContact CG1-CG2 3.65Å; V637-E649 HydrophobicContact CG1-CB 4.45Å; V637-F655 HydrophobicContact CG2-CB 4.07Å; V637-Y674 HydrophobicContact CG2-CE1 4.11Å
638	N	97.6	Very high	97.3	Very high	3 Å²	3	26.9 Å²	26.9	2%	0.016	16%	0.156	C	C	.	.			trans	-84.9	58.2	-170.7	-169.9	-131.5	0	0	0	113.2	F634 S640 W641 S642 G643 R644 I645 E649 R754	F634-N638 HydrophobicContact CD1-CB 3.89Å; F634-N638 WeakPolarHBondContact O-CB 3.44Å; F634-N638 PolarHBondContact O-N 3.02Å; N638-S640 PolarHBondContact ND2-OG 2.9Å; N638-S640 PolarHBondContact O-N 2.98Å; N638-W641 PolarHBondContact O-N 2.88Å; N638-S642 PolarHBondContact ND2-OG 2.93Å; N638-S642 PolarHBondContact OD1-N 2.85Å; N638-S642 VanDerWaalsContact OD1-N 3.08Å; N638-G643 PolarHBondContact OD1-N 3.38Å; N638-R644 VanDerWaalsContact ND2-C 3.32Å; N638-R644 PolarHBondContact ND2-O 2.61Å; N638-R644 VanDerWaalsContact ND2-O 3.1Å; N638-I645 HydrophobicContact CB-CG1 3.79Å; N638-E649 VanDerWaalsContact C-OE1 3.3Å; N638-E649 PolarHBondContact ND2-OE1 3.01Å; N638-E649 PolarHBondContact ND2-OE2 3.37Å; N638-R754 PolarHBondContact O-NH1 2.8Å; N638-R754 PolarHBondContact O-NH2 2.88Å
639	I	95.9	Very high	97.3	Very high	79 Å²	79	27.1 Å²	27.1	41%	0.405	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.3	-22.7	-176	67.6	166.7	0	0	0	114	V637 W641 E649 R754	V637-I639 VanDerWaalsContact C-N 3.25Å; V637-I639 PolarHBondContact O-N 3.3Å; I639-W641 VanDerWaalsContact C-N 3.28Å; I639-W641 PolarHBondContact O-N 3.32Å; I639-E649 HydrophobicContact CG1-CG 4.03Å; I639-E649 PolarHBondContact N-OE1 3.48Å; I639-R754 PolarHBondContact O-NH1 3.33Å
640	S	96	Very high	97.2	Very high	65 Å²	65	27.2 Å²	27.2	46%	0.455	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.3	-7	175.7	58	0	0	0	0	115.5	N638 S642 E649	N638-S640 PolarHBondContact ND2-OG 2.9Å; N638-S640 PolarHBondContact O-N 2.98Å; S640-S642 PolarHBondContact O-N 3.37Å; S640-S642 VanDerWaalsContact O-N 3.1Å; S640-S642 WeakPolarHBondContact OG-CB 3.46Å; S640-S642 PolarHBondContact OG-OG 3.29Å; S640-E649 VanDerWaalsContact CB-OE1 3.24Å; S640-E649 WeakPolarHBondContact CB-OE1 3.22Å; S640-E649 PolarHBondContact N-OE1 3.24Å; S640-E649 PolarHBondContact OG-OE1 3.29Å
641	W	96	Very high	97.1	Very high	30 Å²	30	31.4 Å²	31.4	11%	0.114	17%	0.173	C	C	.	.			trans	50.1	28.7	-168.7	-67	81.8	0	0	0	113.1	N638 I639 V724 R726 W742 E757 Y758	N638-W641 PolarHBondContact O-N 2.88Å; I639-W641 VanDerWaalsContact C-N 3.28Å; I639-W641 PolarHBondContact O-N 3.32Å; W641-V724 HydrophobicContact CH2-CG1 4.33Å; W641-R726 VanDerWaalsContact O-CZ 3.26Å; W641-R726 PolarHBondContact O-NH1 3.23Å; W641-R726 PolarHBondContact O-NH2 3.47Å; W641-W742 HydrophobicContact CD2-CZ3 4.39Å; W641-W742 HydrophobicContact CE3-CH2 4.47Å; W641-W742 AromaticContact CE3-CZ3 3.87Å; W641-W742 HydrophobicContact CE3-CZ3 3.87Å; W641-W742 HydrophobicContact CH2-CE3 4.04Å; W641-W742 AromaticContact CH2-CZ3 3.72Å; W641-W742 HydrophobicContact CH2-CZ3 3.72Å; W641-W742 HydrophobicContact CZ2-CZ3 4.23Å; W641-W742 AromaticContact CZ3-CE3 3.94Å; W641-W742 HydrophobicContact CZ3-CE3 3.94Å; W641-W742 HydrophobicContact CZ3-CH2 4.49Å; W641-W742 AromaticContact CZ3-CZ3 3.52Å; W641-W742 HydrophobicContact CZ3-CZ3 3.52Å; W641-E757 HydrophobicContact CZ2-CB 3.68Å; W641-E757 PolarHBondContact NE1-OE2 2.86Å; W641-Y758 HydrophobicContact CH2-CD2 4.1Å
642	S	95.1	Very high	97	Very high	57 Å²	57	39.1 Å²	39.1	40%	0.399	20%	0.202	S	C	.	.	S	Bend	trans	-84.3	-13.3	-174.1	56.3	0	0	0	0	114.1	N638 S640 R644	N638-S642 PolarHBondContact ND2-OG 2.93Å; N638-S642 PolarHBondContact OD1-N 2.85Å; N638-S642 VanDerWaalsContact OD1-N 3.08Å; S640-S642 PolarHBondContact O-N 3.37Å; S640-S642 VanDerWaalsContact O-N 3.1Å; S640-S642 WeakPolarHBondContact OG-CB 3.46Å; S640-S642 PolarHBondContact OG-OG 3.29Å; S642-R644 PolarHBondContact O-N 3Å; S642-R644 PolarHBondContact OG-N 2.91Å; S642-R644 PolarHBondContact OG-O 3.32Å
643	G	95.3	Very high	96.9	Very high	29 Å²	29	40 Å²	40	30%	0.299	21%	0.209	S	C	.	.	S	Bend	trans	68.8	12.3	-167.2	0	0	0	0	0	113.1	N638	N638-G643 PolarHBondContact OD1-N 3.38Å
644	R	97.5	Very high	96.9	Very high	136 Å²	136	43.1 Å²	43.1	51%	0.513	23%	0.226	S	C	.	.	S	Bend	trans	-140.1	98.1	-175.3	-67.1	-179	-178.3	-175.1	1.6	110.1	F592 L593 V594 N638 S642 S646	F592-R644 HydrophobicContact CB-CB 4.22Å; F592-R644 HydrophobicContact CD2-CB 3.8Å; F592-R644 HydrophobicContact CD2-CG 3.74Å; F592-R644 HydrophobicContact CE2-CB 4.46Å; F592-R644 HydrophobicContact CE2-CG 3.91Å; F592-R644 HydrophobicContact CG-CB 4.1Å; F592-R644 HydrophobicContact CG-CG 4.41Å; L593-R644 CarbonylContact O-C 3.6Å; L593-R644 VanDerWaalsContact O-CA 3.32Å; L593-R644 WeakPolarHBondContact O-CA 3.38Å; V594-R644 HydrophobicContact CG1-CG 4.01Å; N638-R644 VanDerWaalsContact ND2-C 3.32Å; N638-R644 PolarHBondContact ND2-O 2.61Å; N638-R644 VanDerWaalsContact ND2-O 3.1Å; S642-R644 PolarHBondContact O-N 3Å; S642-R644 PolarHBondContact OG-N 2.91Å; S642-R644 PolarHBondContact OG-O 3.32Å; R644-S646 PolarHBondContact O-N 2.89Å
645	I	98.3	Very high	96.9	Very high	0 Å²	0	43 Å²	43	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65	108.5	176.4	-70.4	168.5	0	0	0	108.6	F592 L593 F598 I633 F634 V637 N638 L650	F592-I645 CarbonylContact C-O 3.58Å; F592-I645 WeakPolarHBondContact CA-O 3.48Å; F592-I645 WeakPolarHBondContact CB-O 3.28Å; L593-I645 HydrophobicContact CB-CB 4.42Å; L593-I645 PolarHBondContact N-O 3.16Å; L593-I645 PolarHBondContact O-N 3.16Å; F598-I645 HydrophobicContact CE2-CD1 4Å; F598-I645 HydrophobicContact CZ-CD1 3.95Å; I633-I645 HydrophobicContact CG2-CD1 3.83Å; F634-I645 HydrophobicContact CD1-CD1 4.12Å; F634-I645 HydrophobicContact CD1-CG1 4.1Å; F634-I645 HydrophobicContact CD2-CD1 3.87Å; F634-I645 HydrophobicContact CE1-CD1 3.93Å; F634-I645 HydrophobicContact CE1-CG1 3.76Å; F634-I645 HydrophobicContact CE2-CD1 3.66Å; F634-I645 HydrophobicContact CE2-CG1 4.39Å; F634-I645 HydrophobicContact CG-CD1 4.08Å; F634-I645 HydrophobicContact CZ-CD1 3.68Å; F634-I645 HydrophobicContact CZ-CG1 3.91Å; V637-I645 HydrophobicContact CB-CD1 3.9Å; V637-I645 HydrophobicContact CB-CG1 4.31Å; V637-I645 HydrophobicContact CG1-CB 4.49Å; V637-I645 HydrophobicContact CG1-CD1 3.92Å; V637-I645 HydrophobicContact CG1-CG1 4.03Å; V637-I645 HydrophobicContact CG1-CG2 3.65Å; N638-I645 HydrophobicContact CB-CG1 3.79Å; I645-L650 HydrophobicContact CG2-CB 4.11Å
646	S	97	Very high	96.9	Very high	44 Å²	44	43.2 Å²	43.2	31%	0.308	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	157.8	177.5	64.6	0	0	0	0	111.9	R644 G648 E649 L650	R644-S646 PolarHBondContact O-N 2.89Å; S646-G648 PolarHBondContact O-N 3.25Å; S646-G648 VanDerWaalsContact O-N 3.12Å; S646-E649 WeakPolarHBondContact CB-OE2 3.44Å; S646-E649 PolarHBondContact N-OE2 2.86Å; S646-E649 PolarHBondContact O-N 2.9Å; S646-E649 WeakPolarHBondContact OG-CG 3.27Å; S646-E649 PolarHBondContact OG-N 2.95Å; S646-E649 PolarHBondContact OG-OE2 3.18Å; S646-L650 PolarHBondContact O-N 3.39Å
647	L	96.4	Very high	96.9	Very high	13 Å²	13	44.6 Å²	44.6	7%	0.068	24%	0.239	C	C	.	.	H	α-helix	trans	-51.3	-36.2	172.8	-66.5	172.9	0	0	0	113	L484 A578 V582 R651	L484-L647 HydrophobicContact CD2-CD1 3.97Å; A578-L647 WeakPolarHBondContact O-CD2 3.42Å; V582-L647 HydrophobicContact CB-CD2 3.93Å; V582-L647 HydrophobicContact CG1-CD2 4.41Å; V582-L647 HydrophobicContact CG2-CD2 3.73Å; L647-R651 WeakPolarHBondContact O-CB 3.44Å; L647-R651 WeakPolarHBondContact O-CD 3.47Å; L647-R651 WeakPolarHBondContact O-CG 3.38Å; L647-R651 PolarHBondContact O-N 2.89Å; L647-R651 VanDerWaalsContact O-N 3.09Å
648	G	95.5	Very high	96.9	Very high	26 Å²	26	45.1 Å²	45.1	27%	0.268	24%	0.241	S	C	.	.	H	α-helix	trans	-71	-31.4	178.9	0	0	0	0	0	113.7	S646 R652	S646-G648 PolarHBondContact O-N 3.25Å; S646-G648 VanDerWaalsContact O-N 3.12Å; G648-R652 WeakPolarHBondContact O-CG 3.29Å; G648-R652 PolarHBondContact O-NH1 3.47Å; G648-R652 PolarHBondContact O-NH2 3.47Å
649	E	97.6	Very high	96.9	Very high	7 Å²	7	45 Å²	45	3%	0.033	24%	0.241	C	C	.	.	H	α-helix	trans	-75.1	-48.5	174.2	-70.6	165.9	121.5	0	0	110.9	V637 N638 I639 S640 S646 R651 R652 S653	V637-E649 HydrophobicContact CG1-CB 4.45Å; N638-E649 VanDerWaalsContact C-OE1 3.3Å; N638-E649 PolarHBondContact ND2-OE1 3.01Å; N638-E649 PolarHBondContact ND2-OE2 3.37Å; I639-E649 HydrophobicContact CG1-CG 4.03Å; I639-E649 PolarHBondContact N-OE1 3.48Å; S640-E649 VanDerWaalsContact CB-OE1 3.24Å; S640-E649 WeakPolarHBondContact CB-OE1 3.22Å; S640-E649 PolarHBondContact N-OE1 3.24Å; S640-E649 PolarHBondContact OG-OE1 3.29Å; S646-E649 WeakPolarHBondContact CB-OE2 3.44Å; S646-E649 PolarHBondContact N-OE2 2.86Å; S646-E649 PolarHBondContact O-N 2.9Å; S646-E649 WeakPolarHBondContact OG-CG 3.27Å; S646-E649 PolarHBondContact OG-N 2.95Å; S646-E649 PolarHBondContact OG-OE2 3.18Å; E649-R651 VanDerWaalsContact C-N 3.3Å; E649-R651 PolarHBondContact O-N 3.3Å; E649-R652 PolarHBondContact O-N 3.02Å; E649-S653 PolarHBondContact O-N 3.2Å; E649-S653 VanDerWaalsContact O-N 3.07Å
650	L	97.6	Very high	97	Very high	3 Å²	3	42.3 Å²	42.3	2%	0.016	23%	0.23	C	C	.	.	H	α-helix	trans	-55.3	-45.1	178	-173.4	62	0	0	0	111.6	A578 F581 V582 I645 S646 R652 S653 F655 L656	A578-L650 HydrophobicContact CB-CD2 4Å; A578-L650 HydrophobicContact CB-CG 4.22Å; F581-L650 HydrophobicContact CD1-CD2 3.89Å; V582-L650 HydrophobicContact CG2-CD2 3.69Å; I645-L650 HydrophobicContact CG2-CB 4.11Å; S646-L650 PolarHBondContact O-N 3.39Å; L650-R652 PolarHBondContact O-N 2.85Å; L650-S653 PolarHBondContact O-N 2.97Å; L650-S653 VanDerWaalsContact O-N 3.16Å; L650-S653 PolarHBondContact O-OG 3.49Å; L650-F655 HydrophobicContact CD1-CB 4.49Å; L650-F655 HydrophobicContact CD1-CD1 3.95Å; L650-L656 HydrophobicContact CD1-CD1 4.35Å; L650-L656 HydrophobicContact CD1-CD2 4.3Å; L650-L656 HydrophobicContact CD1-CG 4.03Å; L650-L656 HydrophobicContact CD2-CD1 4.15Å; L650-L656 HydrophobicContact CG-CD1 4.05Å; L650-L656 HydrophobicContact CG-CG 4.29Å
651	R	95.9	Very high	97	Very high	91 Å²	91	41.4 Å²	41.4	34%	0.343	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-21.3	175.2	-76	169.3	-178.2	133.8	11.1	115.5	P483 L484 D576 A578 L647 E649	P483-R651 PolarHBondContact O-NH1 3.26Å; L484-R651 VanDerWaalsContact C-NH2 3.26Å; L484-R651 PolarHBondContact O-NH2 3.04Å; D576-R651 IonicContact OD1-CZ 3.81Å; D576-R651 IonicContact OD1-NE 2.76Å; D576-R651 IonicContact OD1-NH2 3.36Å; D576-R651 PolarHBondContact OD1-NH2 2.53Å; D576-R651 IonicContact OD2-CZ 3.33Å; D576-R651 IonicContact OD2-NE 3.11Å; D576-R651 PolarHBondContact OD2-NE 3.19Å; D576-R651 IonicContact OD2-NH2 3.47Å; D576-R651 PolarHBondContact OD2-NH2 2.9Å; A578-R651 HydrophobicContact CB-CG 3.62Å; L647-R651 WeakPolarHBondContact O-CB 3.44Å; L647-R651 WeakPolarHBondContact O-CD 3.47Å; L647-R651 WeakPolarHBondContact O-CG 3.38Å; L647-R651 PolarHBondContact O-N 2.89Å; L647-R651 VanDerWaalsContact O-N 3.09Å; E649-R651 VanDerWaalsContact C-N 3.3Å; E649-R651 PolarHBondContact O-N 3.3Å
652	R	95.8	Very high	97.1	Very high	165 Å²	165	40.1 Å²	40.1	62%	0.623	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-100.3	-10.2	177.6	-69.4	-172.2	-55.5	-92.3	-6.8	112.9	G648 E649 L650	G648-R652 WeakPolarHBondContact O-CG 3.29Å; G648-R652 PolarHBondContact O-NH1 3.47Å; G648-R652 PolarHBondContact O-NH2 3.47Å; E649-R652 PolarHBondContact O-N 3.02Å; L650-R652 PolarHBondContact O-N 2.85Å
653	S	97	Very high	97.1	Very high	27 Å²	27	40.8 Å²	40.8	19%	0.189	22%	0.216	C	C	.	.	S	Bend	trans	-86.8	159.9	174.1	75.1	0	0	0	0	111.4	E649 L650 F655	E649-S653 PolarHBondContact O-N 3.2Å; E649-S653 VanDerWaalsContact O-N 3.07Å; L650-S653 PolarHBondContact O-N 2.97Å; L650-S653 VanDerWaalsContact O-N 3.16Å; L650-S653 PolarHBondContact O-OG 3.49Å; S653-F655 VanDerWaalsContact C-N 3.32Å; S653-F655 PolarHBondContact OG-N 3Å
654	N	97.1	Very high	97.2	Very high	65 Å²	65	45.7 Å²	45.7	35%	0.348	24%	0.236	S	C	.	.	S	Bend	trans	-89.2	7.1	169.4	63.5	1.6	0	0	0	113.2	L656 P657 V658 Q673 Y674	N654-L656 PolarHBondContact O-N 3.31Å; N654-P657 VanDerWaalsContact O-CD 3.26Å; N654-P657 WeakPolarHBondContact O-CD 3.24Å; N654-V658 WeakPolarHBondContact O-CG2 3.46Å; N654-V658 PolarHBondContact O-N 3.24Å; N654-Q673 PolarHBondContact ND2-OE1 3.12Å; N654-Y674 PolarHBondContact OD1-OH 3.09Å
655	F	98.4	Very high	97.1	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-58	-42.8	-172	173.3	-99.9	0	0	0	113.4	F581 F598 I633 V637 L650 S653 V658 L659 Y674 F675	F581-F655 AromaticContact CE1-CE1 3.91Å; F581-F655 HydrophobicContact CE1-CE1 3.91Å; F581-F655 AromaticContact CZ-CE1 3.72Å; F581-F655 HydrophobicContact CZ-CE1 3.72Å; F581-F655 HydrophobicContact CZ-CZ 4.47Å; F598-F655 HydrophobicContact CD1-CZ 4.31Å; F598-F655 AromaticContact CE1-CE1 3.86Å; F598-F655 HydrophobicContact CE1-CE1 3.86Å; F598-F655 AromaticContact CE1-CZ 3.85Å; F598-F655 HydrophobicContact CE1-CZ 3.85Å; I633-F655 HydrophobicContact CD1-CD2 4.28Å; I633-F655 HydrophobicContact CD1-CE2 3.45Å; I633-F655 VanDerWaalsContact CD1-CE2 3.45Å; I633-F655 HydrophobicContact CD1-CZ 3.94Å; I633-F655 HydrophobicContact CG1-CD2 3.96Å; I633-F655 HydrophobicContact CG1-CE2 3.63Å; I633-F655 HydrophobicContact CG1-CZ 4.49Å; I633-F655 HydrophobicContact CG2-CD2 4.45Å; I633-F655 HydrophobicContact CG2-CE2 4.47Å; V637-F655 HydrophobicContact CG2-CB 4.07Å; L650-F655 HydrophobicContact CD1-CB 4.49Å; L650-F655 HydrophobicContact CD1-CD1 3.95Å; S653-F655 VanDerWaalsContact C-N 3.32Å; S653-F655 PolarHBondContact OG-N 3Å; F655-V658 PolarHBondContact O-N 3.32Å; F655-L659 HydrophobicContact CE1-CB 4.47Å; F655-L659 HydrophobicContact CE1-CD2 3.95Å; F655-L659 HydrophobicContact CZ-CB 4.35Å; F655-L659 HydrophobicContact CZ-CD2 4.09Å; F655-L659 VanDerWaalsContact O-CB 3.29Å; F655-L659 WeakPolarHBondContact O-CB 3.36Å; F655-L659 PolarHBondContact O-N 3.42Å; F655-Y674 HydrophobicContact CB-CE2 4.34Å; F655-Y674 HydrophobicContact CD2-CD1 4.1Å; F655-Y674 HydrophobicContact CD2-CD2 4.11Å; F655-Y674 HydrophobicContact CD2-CE1 4.07Å; F655-Y674 HydrophobicContact CD2-CE2 4.14Å; F655-Y674 HydrophobicContact CD2-CG 4.11Å; F655-F675 HydrophobicContact CE2-CE2 4.41Å; F655-F675 AromaticContact CE2-CZ 3.82Å; F655-F675 HydrophobicContact CE2-CZ 3.82Å; F655-F675 HydrophobicContact CZ-CZ 4.37Å
656	L	98.1	Very high	97	Very high	10 Å²	10	48.2 Å²	48.2	5%	0.052	26%	0.257	C	S	.	.	H	α-helix	trans	-67.3	-47.1	179.6	-62	177	0	0	0	112.5	W541 E577 A578 F581 L650 N654 V658 L659 A660	W541-L656 HydrophobicContact CZ2-CD2 4.4Å; E577-L656 HydrophobicContact CG-CD1 4.2Å; A578-L656 HydrophobicContact CB-CD1 4.3Å; F581-L656 HydrophobicContact CB-CD2 4.11Å; F581-L656 HydrophobicContact CD1-CD2 3.75Å; F581-L656 HydrophobicContact CD2-CD2 3.75Å; F581-L656 HydrophobicContact CE1-CD2 4.02Å; F581-L656 HydrophobicContact CE2-CD2 4.04Å; F581-L656 HydrophobicContact CG-CD2 3.59Å; F581-L656 HydrophobicContact CZ-CD2 4.15Å; L650-L656 HydrophobicContact CD1-CD1 4.35Å; L650-L656 HydrophobicContact CD1-CD2 4.3Å; L650-L656 HydrophobicContact CD1-CG 4.03Å; L650-L656 HydrophobicContact CD2-CD1 4.15Å; L650-L656 HydrophobicContact CG-CD1 4.05Å; L650-L656 HydrophobicContact CG-CG 4.29Å; N654-L656 PolarHBondContact O-N 3.31Å; L656-V658 VanDerWaalsContact C-N 3.33Å; L656-V658 PolarHBondContact O-N 3.45Å; L656-L659 PolarHBondContact O-N 3.41Å; L656-A660 WeakPolarHBondContact O-CB 3.34Å; L656-A660 PolarHBondContact O-N 2.74Å
657	P	97.8	Very high	97	Very high	83 Å²	83	49.4 Å²	49.4	54%	0.539	26%	0.26	S	S	.	.	H	α-helix	trans	-51.6	-43.9	167	-30.9	33.9	0	0	0	114.9	N654 A660 S661	N654-P657 VanDerWaalsContact O-CD 3.26Å; N654-P657 WeakPolarHBondContact O-CD 3.24Å; P657-A660 PolarHBondContact O-N 2.93Å; P657-S661 PolarHBondContact O-N 3.37Å
658	V	98	Very high	97	Very high	14 Å²	14	48.8 Å²	48.8	9%	0.085	26%	0.257	C	S	.	.	H	α-helix	trans	-70.9	-41.7	-179	-179.6	0	0	0	0	111.4	N654 F655 L656 A660 S661 L662 V671 Q673 Y674 F675	N654-V658 WeakPolarHBondContact O-CG2 3.46Å; N654-V658 PolarHBondContact O-N 3.24Å; F655-V658 PolarHBondContact O-N 3.32Å; L656-V658 VanDerWaalsContact C-N 3.33Å; L656-V658 PolarHBondContact O-N 3.45Å; V658-A660 PolarHBondContact O-N 3.26Å; V658-S661 WeakPolarHBondContact CA-OG 3.29Å; V658-S661 PolarHBondContact O-N 2.88Å; V658-S661 VanDerWaalsContact O-N 3.12Å; V658-S661 PolarHBondContact O-OG 2.71Å; V658-L662 PolarHBondContact O-N 2.93Å; V658-V671 HydrophobicContact CG1-CG1 3.51Å; V658-Q673 HydrophobicContact CG1-CB 4.3Å; V658-Y674 HydrophobicContact CB-CD2 4.17Å; V658-Y674 HydrophobicContact CB-CE2 4.19Å; V658-Y674 HydrophobicContact CG1-CD2 3.95Å; V658-Y674 HydrophobicContact CG1-CE2 4.41Å; V658-Y674 HydrophobicContact CG2-CE2 4.25Å; V658-F675 HydrophobicContact CG1-CD2 4.11Å; V658-F675 HydrophobicContact CG1-CE2 4.07Å
659	L	98.2	Very high	97	Very high	0 Å²	0	49 Å²	49	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-59.1	-34.1	171.5	175.5	63.3	0	0	0	112.2	F581 L601 I605 F655 L656 L662 F675	F581-L659 HydrophobicContact CD2-CD2 4.48Å; F581-L659 HydrophobicContact CE2-CD2 3.53Å; F581-L659 HydrophobicContact CZ-CD2 3.86Å; L601-L659 HydrophobicContact CD2-CD2 4.18Å; I605-L659 HydrophobicContact CD1-CD1 3.71Å; F655-L659 HydrophobicContact CE1-CB 4.47Å; F655-L659 HydrophobicContact CE1-CD2 3.95Å; F655-L659 HydrophobicContact CZ-CB 4.35Å; F655-L659 HydrophobicContact CZ-CD2 4.09Å; F655-L659 VanDerWaalsContact O-CB 3.29Å; F655-L659 WeakPolarHBondContact O-CB 3.36Å; F655-L659 PolarHBondContact O-N 3.42Å; L656-L659 PolarHBondContact O-N 3.41Å; L659-L662 HydrophobicContact CD1-CD1 4.17Å; L659-F675 HydrophobicContact CB-CZ 4.41Å; L659-F675 HydrophobicContact CD1-CZ 4.04Å
660	A	97.6	Very high	96.9	Very high	23 Å²	23	54.1 Å²	54.1	19%	0.19	28%	0.279	C	S	.	.	H	α-helix	trans	-72.5	-37.3	174.1	0	0	0	0	0	112.5	P538 L656 P657 V658 L662 E663	P538-A660 HydrophobicContact CB-CB 3.93Å; P538-A660 HydrophobicContact CG-CB 3.75Å; L656-A660 WeakPolarHBondContact O-CB 3.34Å; L656-A660 PolarHBondContact O-N 2.74Å; P657-A660 PolarHBondContact O-N 2.93Å; V658-A660 PolarHBondContact O-N 3.26Å; A660-L662 PolarHBondContact O-N 3.35Å; A660-E663 PolarHBondContact O-N 2.92Å
661	S	97	Very high	96.8	Very high	47 Å²	47	54.7 Å²	54.7	33%	0.329	28%	0.283	S	S	.	.	H	α-helix	trans	-61.6	-26.2	179	51.1	0	0	0	0	114.4	P657 V658 E663 N664	P657-S661 PolarHBondContact O-N 3.37Å; V658-S661 WeakPolarHBondContact CA-OG 3.29Å; V658-S661 PolarHBondContact O-N 2.88Å; V658-S661 VanDerWaalsContact O-N 3.12Å; V658-S661 PolarHBondContact O-OG 2.71Å; S661-E663 PolarHBondContact O-N 3.17Å; S661-N664 PolarHBondContact O-N 3.21Å
662	L	97.6	Very high	96.8	Very high	2 Å²	2	52.3 Å²	52.3	1%	0.01	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.1	-21.1	176.5	-63.7	-175.1	0	0	0	114.6	Y540 I605 H609 V658 L659 A660 N664 I668 V671 F675	Y540-L662 HydrophobicContact CD2-CB 3.71Å; Y540-L662 HydrophobicContact CD2-CD1 4.41Å; Y540-L662 HydrophobicContact CE2-CB 3.49Å; Y540-L662 VanDerWaalsContact CE2-CB 3.49Å; Y540-L662 WeakPolarHBondContact CE2-O 3.42Å; I605-L662 HydrophobicContact CD1-CD1 4.14Å; I605-L662 HydrophobicContact CG2-CD1 4.08Å; H609-L662 PolarHBondContact NE2-O 2.87Å; V658-L662 PolarHBondContact O-N 2.93Å; L659-L662 HydrophobicContact CD1-CD1 4.17Å; A660-L662 PolarHBondContact O-N 3.35Å; L662-N664 VanDerWaalsContact C-N 3.26Å; L662-N664 PolarHBondContact O-N 3.1Å; L662-I668 HydrophobicContact CD2-CD1 3.78Å; L662-V671 HydrophobicContact CD2-CB 4.18Å; L662-V671 HydrophobicContact CD2-CG1 3.95Å; L662-V671 HydrophobicContact CD2-CG2 4.06Å; L662-F675 HydrophobicContact CD1-CD1 4.12Å; L662-F675 HydrophobicContact CD1-CD2 3.99Å; L662-F675 HydrophobicContact CD1-CE1 4.06Å; L662-F675 HydrophobicContact CD1-CE2 3.93Å; L662-F675 HydrophobicContact CD1-CG 4.1Å; L662-F675 HydrophobicContact CD1-CZ 3.96Å; L662-F675 HydrophobicContact CD2-CB 4.3Å; L662-F675 HydrophobicContact CD2-CD2 3.92Å; L662-F675 HydrophobicContact CD2-CG 4.16Å; L662-F675 HydrophobicContact CG-CD2 4.23Å; L662-F675 HydrophobicContact CG-CE2 4.32Å
663	E	96.3	Very high	96.8	Very high	71 Å²	71	48.5 Å²	48.5	33%	0.332	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.6	-2.9	178.1	82.7	-175	156.6	0	0	113.9	L539 Y540 A660 S661	L539-E663 HydrophobicContact CB-CB 3.72Å; L539-E663 WeakPolarHBondContact CB-OE2 3.28Å; L539-E663 HydrophobicContact CD2-CB 4.14Å; L539-E663 PolarHBondContact N-OE2 3.37Å; Y540-E663 HydrophobicContact CE2-CB 4.28Å; A660-E663 PolarHBondContact O-N 2.92Å; S661-E663 PolarHBondContact O-N 3.17Å
664	N	96	Very high	96.9	Very high	132 Å²	132	47.5 Å²	47.5	71%	0.706	26%	0.26	S	S	*	.	S	Bend	trans	-122.8	-4.7	-175.1	-57.5	-87.7	0	0	0	113.5	S661 L662	S661-N664 PolarHBondContact O-N 3.21Å; L662-N664 VanDerWaalsContact C-N 3.26Å; L662-N664 PolarHBondContact O-N 3.1Å
665	E	96.1	Very high	96.9	Very high	70 Å²	70	44.4 Å²	44.4	33%	0.327	24%	0.243	S	C	.	.			trans	-125.8	121.5	-177.4	-175.7	54.4	-91.1	0	0	109.6	H609 D667 L670 V671	H609-E665 PolarHBondContact CE1-O 3.43Å; H609-E665 VanDerWaalsContact CE1-O 3.24Å; H609-E665 PolarHBondContact NE2-O 3.31Å; E665-D667 WeakPolarHBondContact CG-O 3.48Å; E665-D667 PolarHBondContact OE1-N 2.97Å; E665-L670 HydrophobicContact CG-CB 4.16Å; E665-L670 HydrophobicContact CG-CD1 4.46Å; E665-V671 HydrophobicContact CB-CG2 4.31Å; E665-V671 HydrophobicContact CG-CG2 4.13Å
666	D	96	Very high	96.9	Very high	119 Å²	119	44.5 Å²	44.5	64%	0.636	24%	0.243	S	C	*	.	S	Bend	trans	-80.6	-32.2	-177.3	-81.7	-26.6	0	0	0	111.1	P610 G611	P610-D666 HydrophobicContact CG-CB 4.33Å; P610-D666 VanDerWaalsContact CG-OD1 3.3Å; P610-D666 WeakPolarHBondContact CG-OD1 3.48Å; G611-D666 WeakPolarHBondContact CA-O 3.34Å; G611-D666 PolarHBondContact N-O 3.33Å; G611-D666 VanDerWaalsContact N-O 3.1Å
667	D	96.7	Very high	96.8	Very high	69 Å²	69	45 Å²	45	37%	0.369	25%	0.245	S	C	.	.			trans	-91.2	104.4	179.4	-172.4	-9.4	0	0	0	111.2	E665 N669 L670	E665-D667 WeakPolarHBondContact CG-O 3.48Å; E665-D667 PolarHBondContact OE1-N 2.97Å; D667-N669 PolarHBondContact O-N 2.9Å; D667-N669 WeakPolarHBondContact OD1-CB 3.31Å; D667-N669 PolarHBondContact OD1-N 2.86Å; D667-N669 PolarHBondContact OD1-ND2 3.06Å; D667-L670 HydrophobicContact CB-CD1 4.07Å; D667-L670 HydrophobicContact CB-CG 4.08Å; D667-L670 PolarHBondContact O-N 3.49Å
668	I	96.6	Very high	96.8	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.2	-23.2	-178.6	-163.8	66.4	0	0	0	113.2	G611 L612 L662 V671 F675 S676	G611-I668 WeakPolarHBondContact O-CG2 3.48Å; L612-I668 HydrophobicContact CD1-CD1 4.28Å; L612-I668 HydrophobicContact CD1-CG1 4.2Å; L612-I668 HydrophobicContact CD2-CB 4.44Å; L612-I668 HydrophobicContact CD2-CG1 4.12Å; L612-I668 HydrophobicContact CD2-CG2 3.96Å; L612-I668 HydrophobicContact CG-CB 4.38Å; L612-I668 HydrophobicContact CG-CG1 4.08Å; L612-I668 HydrophobicContact CG-CG2 4.36Å; L662-I668 HydrophobicContact CD2-CD1 3.78Å; I668-V671 PolarHBondContact O-N 3.15Å; I668-F675 HydrophobicContact CD1-CB 3.85Å; I668-F675 HydrophobicContact CG1-CB 4.28Å; I668-S676 WeakPolarHBondContact O-CA 3.41Å
669	N	95.9	Very high	96.8	Very high	31 Å²	31	43.3 Å²	43.3	17%	0.166	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.8	-26.8	-174.7	-53.9	-60.4	0	0	0	112.8	D667 V671 T672 Y677 E678	D667-N669 PolarHBondContact O-N 2.9Å; D667-N669 WeakPolarHBondContact OD1-CB 3.31Å; D667-N669 PolarHBondContact OD1-N 2.86Å; D667-N669 PolarHBondContact OD1-ND2 3.06Å; N669-V671 PolarHBondContact O-N 3.4Å; N669-T672 PolarHBondContact O-N 2.69Å; N669-Y677 WeakPolarHBondContact OD1-CA 3.36Å; N669-Y677 WeakPolarHBondContact OD1-CB 3.29Å; N669-Y677 PolarHBondContact OD1-N 2.92Å; N669-E678 HydrophobicContact CB-CG 4.1Å; N669-E678 WeakPolarHBondContact OD1-CG 3.05Å; N669-E678 PolarHBondContact OD1-N 3.47Å
670	L	95.2	Very high	96.8	Very high	115 Å²	115	43.3 Å²	43.3	60%	0.602	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.7	-21.7	168.7	-61.5	-179	0	0	0	111.6	E665 D667 T672	E665-L670 HydrophobicContact CG-CB 4.16Å; E665-L670 HydrophobicContact CG-CD1 4.46Å; D667-L670 HydrophobicContact CB-CD1 4.07Å; D667-L670 HydrophobicContact CB-CG 4.08Å; D667-L670 PolarHBondContact O-N 3.49Å; L670-T672 VanDerWaalsContact C-N 3.3Å; L670-T672 PolarHBondContact O-N 3.39Å
671	V	95.6	Very high	96.8	Very high	15 Å²	15	43.2 Å²	43.2	9%	0.091	22%	0.224	C	C	.	.			trans	-90.9	65.3	170.5	-165.8	0	0	0	0	109.9	V658 L662 E665 I668 N669 Q673 F675 S676	V658-V671 HydrophobicContact CG1-CG1 3.51Å; L662-V671 HydrophobicContact CD2-CB 4.18Å; L662-V671 HydrophobicContact CD2-CG1 3.95Å; L662-V671 HydrophobicContact CD2-CG2 4.06Å; E665-V671 HydrophobicContact CB-CG2 4.31Å; E665-V671 HydrophobicContact CG-CG2 4.13Å; I668-V671 PolarHBondContact O-N 3.15Å; N669-V671 PolarHBondContact O-N 3.4Å; V671-Q673 PolarHBondContact O-N 3.45Å; V671-Q673 VanDerWaalsContact O-N 3.1Å; V671-F675 HydrophobicContact CG1-CD2 4.12Å; V671-S676 PolarHBondContact O-N 2.91Å
672	T	95.8	Very high	96.9	Very high	40 Å²	40	41 Å²	41	25%	0.245	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50.4	-37.7	-178.6	64.8	0	0	0	0	112.9	R632 N669 L670 H679	R632-T672 PolarHBondContact NH1-O 2.99Å; R632-T672 PolarHBondContact NH2-O 3.03Å; N669-T672 PolarHBondContact O-N 2.69Å; L670-T672 VanDerWaalsContact C-N 3.3Å; L670-T672 PolarHBondContact O-N 3.39Å; T672-H679 PolarHBondContact O-CE1 3Å; T672-H679 PolarHBondContact O-ND1 2.99Å
673	Q	96.5	Very high	96.9	Very high	86 Å²	86	40.9 Å²	40.9	40%	0.402	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.6	125.6	-180	-66.2	-177.9	76.9	0	0	111.7	N654 V658 V671 F675	N654-Q673 PolarHBondContact ND2-OE1 3.12Å; V658-Q673 HydrophobicContact CG1-CB 4.3Å; V671-Q673 PolarHBondContact O-N 3.45Å; V671-Q673 VanDerWaalsContact O-N 3.1Å; Q673-F675 PolarHBondContact O-N 2.7Å
674	Y	98	Very high	96.9	Very high	6 Å²	6	39.3 Å²	39.3	2%	0.024	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	63.9	-53.4	-177.3	-43.2	-81.1	0	0	0	115.3	R632 I633 N636 V637 N654 F655 V658	R632-Y674 PolarHBondContact NH1-O 2.72Å; I633-Y674 HydrophobicContact CB-CD1 4.26Å; I633-Y674 HydrophobicContact CG1-CD1 3.57Å; I633-Y674 HydrophobicContact CG1-CE1 4.28Å; I633-Y674 HydrophobicContact CG1-CG 4.22Å; N636-Y674 HydrophobicContact CB-CE1 3.9Å; V637-Y674 HydrophobicContact CG2-CE1 4.11Å; N654-Y674 PolarHBondContact OD1-OH 3.09Å; F655-Y674 HydrophobicContact CB-CE2 4.34Å; F655-Y674 HydrophobicContact CD2-CD1 4.1Å; F655-Y674 HydrophobicContact CD2-CD2 4.11Å; F655-Y674 HydrophobicContact CD2-CE1 4.07Å; F655-Y674 HydrophobicContact CD2-CE2 4.14Å; F655-Y674 HydrophobicContact CD2-CG 4.11Å; V658-Y674 HydrophobicContact CB-CD2 4.17Å; V658-Y674 HydrophobicContact CB-CE2 4.19Å; V658-Y674 HydrophobicContact CG1-CD2 3.95Å; V658-Y674 HydrophobicContact CG1-CE2 4.41Å; V658-Y674 HydrophobicContact CG2-CE2 4.25Å
675	F	98	Very high	97	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.3	-21.1	-158.1	-56.8	-76.1	0	0	0	116.9	I602 I605 Y625 V629 F655 V658 L659 L662 I668 V671 Q673 Y677	I602-F675 HydrophobicContact CD1-CE1 4.04Å; I605-F675 HydrophobicContact CD1-CE1 3.87Å; I605-F675 HydrophobicContact CD1-CZ 4.46Å; Y625-F675 PolarHBondContact OH-O 2.94Å; V629-F675 HydrophobicContact CG1-CD1 3.81Å; V629-F675 HydrophobicContact CG1-CE1 3.93Å; F655-F675 HydrophobicContact CE2-CE2 4.41Å; F655-F675 AromaticContact CE2-CZ 3.82Å; F655-F675 HydrophobicContact CE2-CZ 3.82Å; F655-F675 HydrophobicContact CZ-CZ 4.37Å; V658-F675 HydrophobicContact CG1-CD2 4.11Å; V658-F675 HydrophobicContact CG1-CE2 4.07Å; L659-F675 HydrophobicContact CB-CZ 4.41Å; L659-F675 HydrophobicContact CD1-CZ 4.04Å; L662-F675 HydrophobicContact CD1-CD1 4.12Å; L662-F675 HydrophobicContact CD1-CD2 3.99Å; L662-F675 HydrophobicContact CD1-CE1 4.06Å; L662-F675 HydrophobicContact CD1-CE2 3.93Å; L662-F675 HydrophobicContact CD1-CG 4.1Å; L662-F675 HydrophobicContact CD1-CZ 3.96Å; L662-F675 HydrophobicContact CD2-CB 4.3Å; L662-F675 HydrophobicContact CD2-CD2 3.92Å; L662-F675 HydrophobicContact CD2-CG 4.16Å; L662-F675 HydrophobicContact CG-CD2 4.23Å; L662-F675 HydrophobicContact CG-CE2 4.32Å; I668-F675 HydrophobicContact CD1-CB 3.85Å; I668-F675 HydrophobicContact CG1-CB 4.28Å; V671-F675 HydrophobicContact CG1-CD2 4.12Å; Q673-F675 PolarHBondContact O-N 2.7Å; F675-Y677 PolarHBondContact O-N 3.1Å
676	S	97.5	Very high	97	Very high	1 Å²	1	31.8 Å²	31.8	1%	0.007	16%	0.161	C	C	.	.			trans	-45.8	129.7	-179.8	163.4	0	0	0	0	113.9	I668 V671 E678 H679 F680	I668-S676 WeakPolarHBondContact O-CA 3.41Å; V671-S676 PolarHBondContact O-N 2.91Å; S676-E678 PolarHBondContact OG-N 3.39Å; S676-H679 PolarHBondContact OG-CD2 2.94Å; S676-H679 PolarHBondContact OG-N 2.6Å; S676-F680 PolarHBondContact O-N 2.92Å
677	Y	97.4	Very high	97.1	Very high	22 Å²	22	26.2 Å²	26.2	9%	0.086	13%	0.131	C	C	.	.	H	α-helix	trans	-76	-38	179.8	176.3	-92.1	0	0	0	111.6	L612 F614 L615 Y625 N669 F675 H679 F680 Y681	L612-Y677 HydrophobicContact CD2-CD2 4.36Å; F614-Y677 HydrophobicContact CE2-CE1 4.01Å; F614-Y677 HydrophobicContact CE2-CE2 4.1Å; F614-Y677 AromaticContact CE2-CZ 3.78Å; F614-Y677 AromaticContact CZ-CD1 3.77Å; F614-Y677 HydrophobicContact CZ-CD1 3.77Å; F614-Y677 AromaticContact CZ-CD2 3.91Å; F614-Y677 HydrophobicContact CZ-CD2 3.91Å; F614-Y677 AromaticContact CZ-CE1 3.71Å; F614-Y677 HydrophobicContact CZ-CE1 3.71Å; F614-Y677 AromaticContact CZ-CE2 3.85Å; F614-Y677 HydrophobicContact CZ-CE2 3.85Å; F614-Y677 AromaticContact CZ-CG 3.87Å; F614-Y677 HydrophobicContact CZ-CG 3.87Å; F614-Y677 AromaticContact CZ-CZ 3.75Å; L615-Y677 HydrophobicContact CD1-CD2 3.99Å; L615-Y677 HydrophobicContact CD1-CE2 3.84Å; L615-Y677 HydrophobicContact CD2-CE2 3.74Å; L615-Y677 HydrophobicContact CG-CE2 4.21Å; Y625-Y677 HydrophobicContact CD2-CD2 4.3Å; N669-Y677 WeakPolarHBondContact OD1-CA 3.36Å; N669-Y677 WeakPolarHBondContact OD1-CB 3.29Å; N669-Y677 PolarHBondContact OD1-N 2.92Å; F675-Y677 PolarHBondContact O-N 3.1Å; Y677-H679 PolarHBondContact O-N 2.79Å; Y677-F680 AromaticContact CD2-CD1 3.68Å; Y677-F680 HydrophobicContact CD2-CD1 3.68Å; Y677-F680 HydrophobicContact CD2-CE1 4.27Å; Y677-F680 AromaticContact CE2-CD1 3.47Å; Y677-F680 HydrophobicContact CE2-CD1 3.47Å; Y677-F680 VanDerWaalsContact CE2-CD1 3.47Å; Y677-F680 AromaticContact CE2-CE1 3.63Å; Y677-F680 HydrophobicContact CE2-CE1 3.63Å; Y677-F680 CarbonylContact O-C 3.47Å; Y677-F680 WeakPolarHBondContact O-CA 3.19Å; Y677-F680 WeakPolarHBondContact O-CB 3.45Å; Y677-F680 PolarHBondContact O-N 3.07Å; Y677-Y681 HydrophobicContact CE1-CD2 4.3Å; Y677-Y681 PolarHBondContact O-N 3.31Å
678	E	97.3	Very high	97	Very high	55 Å²	55	27.7 Å²	27.7	26%	0.257	13%	0.131	S	C	.	.	H	α-helix	trans	-55.2	-42.2	174.4	-65	-179.8	154.1	0	0	111.1	N669 S676 F680 Y681 V682 Y882	N669-E678 HydrophobicContact CB-CG 4.1Å; N669-E678 WeakPolarHBondContact OD1-CG 3.05Å; N669-E678 PolarHBondContact OD1-N 3.47Å; S676-E678 PolarHBondContact OG-N 3.39Å; E678-F680 PolarHBondContact O-N 2.96Å; E678-Y681 PolarHBondContact O-N 3.24Å; E678-V682 WeakPolarHBondContact O-CG2 3.44Å; E678-V682 PolarHBondContact O-N 3.45Å; E678-Y882 HydrophobicContact CB-CD1 4.06Å; E678-Y882 HydrophobicContact CB-CD2 3.88Å; E678-Y882 HydrophobicContact CB-CE1 4.32Å; E678-Y882 HydrophobicContact CB-CE2 4.16Å; E678-Y882 HydrophobicContact CB-CG 3.83Å; E678-Y882 HydrophobicContact CG-CD1 3.68Å; E678-Y882 HydrophobicContact CG-CD2 4.08Å; E678-Y882 HydrophobicContact CG-CE1 3.52Å; E678-Y882 HydrophobicContact CG-CE2 3.95Å; E678-Y882 HydrophobicContact CG-CG 3.95Å; E678-Y882 VanDerWaalsContact OE1-CE1 3.24Å; E678-Y882 WeakPolarHBondContact OE1-CE1 3.29Å
679	H	98.2	Very high	97	Very high	5 Å²	5	31.8 Å²	31.8	2%	0.023	15%	0.15	C	C	.	.	H	α-helix	trans	-65.3	-39	176.2	-67.7	-158.5	0	0	0	111.9	R632 T672 S676 Y677 I683 W874 D875	R632-H679 PolarHBondContact NH2-ND1 3.08Å; T672-H679 PolarHBondContact O-CE1 3Å; T672-H679 PolarHBondContact O-ND1 2.99Å; S676-H679 PolarHBondContact OG-CD2 2.94Å; S676-H679 PolarHBondContact OG-N 2.6Å; Y677-H679 PolarHBondContact O-N 2.79Å; H679-I683 VanDerWaalsContact O-CD1 3.27Å; H679-I683 WeakPolarHBondContact O-CD1 3.5Å; H679-I683 WeakPolarHBondContact O-CG1 3.38Å; H679-I683 PolarHBondContact O-N 3.19Å; H679-W874 HydrophobicContact CB-CZ2 4.31Å; H679-W874 AromaticContact CE1-CD1 3.93Å; H679-W874 AromaticContact CE1-NE1 3.57Å; H679-W874 AromaticContact CG-NE1 3.67Å; H679-W874 AromaticContact ND1-CD1 3.78Å; H679-W874 AromaticContact ND1-NE1 3.05Å; H679-W874 PolarHBondContact ND1-NE1 3.48Å; H679-D875 IonicContact CE1-OD1 2.82Å; H679-D875 PolarHBondContact CE1-OD1 3.31Å; H679-D875 VanDerWaalsContact CE1-OD1 3.3Å
680	F	98.1	Very high	97	Very high	1 Å²	1	30.7 Å²	30.7	0%	0.004	14%	0.144	C	C	.	.	H	α-helix	trans	-64.1	-44.2	173.4	156.1	-103.9	0	0	0	111.7	F621 R624 Y625 T628 S676 Y677 E678 V682 I683 Y684 Y737	F621-F680 HydrophobicContact CB-CZ 4.44Å; F621-F680 HydrophobicContact CD1-CE1 4.3Å; F621-F680 HydrophobicContact CD1-CZ 4.13Å; R624-F680 VanDerWaalsContact C-CE2 3.43Å; R624-F680 HydrophobicContact CB-CE2 3.63Å; R624-F680 HydrophobicContact CB-CZ 3.88Å; Y625-F680 HydrophobicContact CD2-CB 4.03Å; Y625-F680 AromaticContact CD2-CD1 3.96Å; Y625-F680 HydrophobicContact CD2-CD1 3.96Å; Y625-F680 HydrophobicContact CD2-CD2 4.48Å; Y625-F680 AromaticContact CD2-CG 3.86Å; Y625-F680 HydrophobicContact CD2-CG 3.86Å; Y625-F680 VanDerWaalsContact N-CE2 3.34Å; T628-F680 HydrophobicContact CG2-CB 4.28Å; T628-F680 HydrophobicContact CG2-CD2 4.12Å; S676-F680 PolarHBondContact O-N 2.92Å; Y677-F680 AromaticContact CD2-CD1 3.68Å; Y677-F680 HydrophobicContact CD2-CD1 3.68Å; Y677-F680 HydrophobicContact CD2-CE1 4.27Å; Y677-F680 AromaticContact CE2-CD1 3.47Å; Y677-F680 HydrophobicContact CE2-CD1 3.47Å; Y677-F680 VanDerWaalsContact CE2-CD1 3.47Å; Y677-F680 AromaticContact CE2-CE1 3.63Å; Y677-F680 HydrophobicContact CE2-CE1 3.63Å; Y677-F680 CarbonylContact O-C 3.47Å; Y677-F680 WeakPolarHBondContact O-CA 3.19Å; Y677-F680 WeakPolarHBondContact O-CB 3.45Å; Y677-F680 PolarHBondContact O-N 3.07Å; E678-F680 PolarHBondContact O-N 2.96Å; F680-V682 PolarHBondContact O-N 2.78Å; F680-I683 PolarHBondContact O-N 3.46Å; F680-Y684 HydrophobicContact CE2-CD2 4.46Å; F680-Y684 HydrophobicContact CE2-CG 4.39Å; F680-Y684 HydrophobicContact CZ-CG 4.29Å; F680-Y684 WeakPolarHBondContact O-CB 3.44Å; F680-Y684 PolarHBondContact O-N 3.45Å; F680-Y737 WeakPolarHBondContact CE2-OH 3.01Å
681	Y	97.2	Very high	97.1	Very high	21 Å²	21	25.4 Å²	25.4	8%	0.082	12%	0.117	C	C	.	.	H	α-helix	trans	-60.3	-47.6	-179.1	-163.9	-110.9	0	0	0	111.1	Y677 E678 I683 Y684 C685 Y882 L885 E889	Y677-Y681 HydrophobicContact CE1-CD2 4.3Å; Y677-Y681 PolarHBondContact O-N 3.31Å; E678-Y681 PolarHBondContact O-N 3.24Å; Y681-I683 PolarHBondContact O-N 3.34Å; Y681-Y684 PolarHBondContact O-N 3.09Å; Y681-C685 WeakPolarHBondContact O-CB 3.46Å; Y681-C685 PolarHBondContact O-N 2.86Å; Y681-C685 PolarHBondContact O-SG 3.16Å; Y681-C685 VanDerWaalsContact O-SG 3.36Å; Y681-Y882 AromaticContact CD1-CD2 3.77Å; Y681-Y882 HydrophobicContact CD1-CD2 3.77Å; Y681-Y882 AromaticContact CD1-CE2 3.59Å; Y681-Y882 HydrophobicContact CD1-CE2 3.59Å; Y681-Y882 HydrophobicContact CE1-CE2 4.39Å; Y681-Y882 HydrophobicContact CG-CD2 4.32Å; Y681-Y882 AromaticContact CG-CE2 3.99Å; Y681-Y882 HydrophobicContact CG-CE2 3.99Å; Y681-L885 HydrophobicContact CD1-CD1 4.47Å; Y681-L885 HydrophobicContact CE1-CB 4.49Å; Y681-E889 PolarHBondContact OH-OE2 2.78Å
682	V	98	Very high	97	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-57.1	-46.7	175.3	170.3	0	0	0	0	112	E678 F680 Y684 K686 Y877 A878 T881 Y882 L885	E678-V682 WeakPolarHBondContact O-CG2 3.44Å; E678-V682 PolarHBondContact O-N 3.45Å; F680-V682 PolarHBondContact O-N 2.78Å; V682-Y684 VanDerWaalsContact C-N 3.33Å; V682-Y684 PolarHBondContact O-N 3.46Å; V682-K686 VanDerWaalsContact O-CB 3.3Å; V682-K686 WeakPolarHBondContact O-CB 3.36Å; V682-K686 VanDerWaalsContact O-CG 3.32Å; V682-K686 WeakPolarHBondContact O-CG 3.48Å; V682-K686 PolarHBondContact O-N 3.42Å; V682-Y877 HydrophobicContact CG1-CD1 4.35Å; V682-Y877 HydrophobicContact CG1-CE1 3.74Å; V682-A878 WeakPolarHBondContact CG2-O 3.21Å; V682-T881 HydrophobicContact CG1-CG2 3.78Å; V682-T881 HydrophobicContact CG2-CG2 4.15Å; V682-Y882 HydrophobicContact CG2-CD2 4.47Å; V682-L885 HydrophobicContact CG2-CD1 4.25Å
683	I	98.3	Very high	97	Very high	0 Å²	0	35 Å²	35	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-65	-38.5	178.7	-61.3	160.5	0	0	0	111.2	T628 H679 F680 Y681 F687 F740 V741 L744 W874	T628-I683 HydrophobicContact CG2-CD1 3.76Å; H679-I683 VanDerWaalsContact O-CD1 3.27Å; H679-I683 WeakPolarHBondContact O-CD1 3.5Å; H679-I683 WeakPolarHBondContact O-CG1 3.38Å; H679-I683 PolarHBondContact O-N 3.19Å; F680-I683 PolarHBondContact O-N 3.46Å; Y681-I683 PolarHBondContact O-N 3.34Å; I683-F687 WeakPolarHBondContact O-CB 3.43Å; I683-F687 PolarHBondContact O-N 3.17Å; I683-F687 VanDerWaalsContact O-N 3.14Å; I683-F740 HydrophobicContact CG2-CD1 4.46Å; I683-F740 HydrophobicContact CG2-CE1 4.48Å; I683-V741 HydrophobicContact CD1-CG1 4.43Å; I683-V741 HydrophobicContact CG2-CB 4.4Å; I683-V741 HydrophobicContact CG2-CG2 3.8Å; I683-L744 HydrophobicContact CB-CD2 4.34Å; I683-L744 HydrophobicContact CG1-CD2 4.13Å; I683-L744 HydrophobicContact CG2-CD2 4.32Å; I683-W874 HydrophobicContact CD1-CH2 3.96Å; I683-W874 HydrophobicContact CD1-CZ2 3.82Å; I683-W874 HydrophobicContact CG1-CH2 3.52Å; I683-W874 HydrophobicContact CG1-CZ2 3.83Å
684	Y	97.2	Very high	96.9	Very high	37 Å²	37	34.5 Å²	34.5	15%	0.145	16%	0.159	C	C	.	.	H	α-helix	trans	-70.2	-45.7	179.5	-173.8	-103.7	0	0	0	112.4	F621 R624 F680 Y681 V682 F687 W688 Y737	F621-Y684 HydrophobicContact CD1-CD1 4.29Å; F621-Y684 HydrophobicContact CD1-CE1 4.12Å; F621-Y684 AromaticContact CE1-CD1 3.88Å; F621-Y684 HydrophobicContact CE1-CD1 3.88Å; F621-Y684 AromaticContact CE1-CE1 3.56Å; F621-Y684 HydrophobicContact CE1-CE1 3.56Å; F621-Y684 HydrophobicContact CZ-CE1 4.36Å; R624-Y684 HydrophobicContact CB-CD2 4.09Å; R624-Y684 HydrophobicContact CB-CE2 4.21Å; R624-Y684 HydrophobicContact CG-CD2 4.05Å; R624-Y684 HydrophobicContact CG-CE2 3.67Å; F680-Y684 HydrophobicContact CE2-CD2 4.46Å; F680-Y684 HydrophobicContact CE2-CG 4.39Å; F680-Y684 HydrophobicContact CZ-CG 4.29Å; F680-Y684 WeakPolarHBondContact O-CB 3.44Å; F680-Y684 PolarHBondContact O-N 3.45Å; Y681-Y684 PolarHBondContact O-N 3.09Å; V682-Y684 VanDerWaalsContact C-N 3.33Å; V682-Y684 PolarHBondContact O-N 3.46Å; Y684-F687 WeakPolarHBondContact O-CB 3.38Å; Y684-F687 PolarHBondContact O-N 3.21Å; Y684-W688 WeakPolarHBondContact O-CB 3.13Å; Y684-W688 PolarHBondContact O-N 3.32Å; Y684-Y737 HydrophobicContact CD2-CE2 4.03Å
685	C	96.4	Very high	96.7	Very high	17 Å²	17	38.1 Å²	38.1	12%	0.115	18%	0.179	C	C	.	.	H	α-helix	trans	-60.9	-45.2	174.7	-67	0	0	0	0	111.6	Y681 F687 W688 E689 L885	Y681-C685 WeakPolarHBondContact O-CB 3.46Å; Y681-C685 PolarHBondContact O-N 2.86Å; Y681-C685 PolarHBondContact O-SG 3.16Å; Y681-C685 VanDerWaalsContact O-SG 3.36Å; C685-F687 PolarHBondContact O-N 3.43Å; C685-W688 PolarHBondContact O-N 3.43Å; C685-W688 VanDerWaalsContact O-N 3.17Å; C685-E689 WeakPolarHBondContact O-CG 3.42Å; C685-E689 PolarHBondContact O-N 2.82Å; C685-L885 HydrophobicContact CB-CD1 3.81Å; C685-L885 HydrophobicContact CB-CD2 4.24Å
686	K	97	Very high	96.4	Very high	28 Å²	28	41.8 Å²	41.8	12%	0.122	20%	0.198	C	C	.	.	H	α-helix	trans	-66.3	-19.9	177.7	-74.4	-81.4	164.7	-97.7	0	114.2	V682 E689 F740 L744	V682-K686 VanDerWaalsContact O-CB 3.3Å; V682-K686 WeakPolarHBondContact O-CB 3.36Å; V682-K686 VanDerWaalsContact O-CG 3.32Å; V682-K686 WeakPolarHBondContact O-CG 3.48Å; V682-K686 PolarHBondContact O-N 3.42Å; K686-E689 IonicContact NZ-OE1 3.73Å; K686-E689 PolarHBondContact NZ-OE1 3.48Å; K686-E689 IonicContact NZ-OE2 2.77Å; K686-E689 PolarHBondContact NZ-OE2 3.42Å; K686-F740 HydrophobicContact CB-CE1 4.39Å; K686-F740 HydrophobicContact CB-CZ 4.25Å; K686-F740 WeakPolarHBondContact O-CZ 3.49Å; K686-L744 HydrophobicContact CB-CD2 3.82Å; K686-L744 HydrophobicContact CG-CD2 4.37Å
687	F	97.3	Very high	96.3	Very high	2 Å²	2	44.4 Å²	44.4	1%	0.009	21%	0.212	C	C	.	.	H	α-helix	trans	-81.1	-47.9	169.1	-179.5	-97.1	0	0	0	111.4	I683 Y684 C685 E689 L690 D691 I698 Y737 F740	I683-F687 WeakPolarHBondContact O-CB 3.43Å; I683-F687 PolarHBondContact O-N 3.17Å; I683-F687 VanDerWaalsContact O-N 3.14Å; Y684-F687 WeakPolarHBondContact O-CB 3.38Å; Y684-F687 PolarHBondContact O-N 3.21Å; C685-F687 PolarHBondContact O-N 3.43Å; F687-E689 VanDerWaalsContact C-N 3.28Å; F687-E689 PolarHBondContact O-N 3.31Å; F687-L690 WeakPolarHBondContact O-CA 3.22Å; F687-L690 PolarHBondContact O-N 2.73Å; F687-D691 HydrophobicContact CD1-CB 4.12Å; F687-D691 HydrophobicContact CE1-CB 3.81Å; F687-D691 WeakPolarHBondContact CE1-OD2 3.36Å; F687-D691 HydrophobicContact CZ-CB 4.27Å; F687-D691 PolarHBondContact O-N 2.85Å; F687-I698 HydrophobicContact CD2-CD1 4.28Å; F687-I698 HydrophobicContact CD2-CG1 3.83Å; F687-I698 HydrophobicContact CE2-CD1 4.09Å; F687-I698 HydrophobicContact CE2-CG1 3.39Å; F687-I698 HydrophobicContact CZ-CG1 4.11Å; F687-Y737 HydrophobicContact CB-CD2 4.04Å; F687-Y737 HydrophobicContact CB-CE2 3.96Å; F687-Y737 AromaticContact CD1-CD2 3.68Å; F687-Y737 HydrophobicContact CD1-CD2 3.68Å; F687-Y737 HydrophobicContact CD1-CE2 4.19Å; F687-Y737 AromaticContact CD2-CD2 3.65Å; F687-Y737 HydrophobicContact CD2-CD2 3.65Å; F687-Y737 HydrophobicContact CD2-CE2 4.41Å; F687-Y737 AromaticContact CE1-CD2 3.96Å; F687-Y737 HydrophobicContact CE1-CD2 3.96Å; F687-Y737 AromaticContact CE2-CD2 3.9Å; F687-Y737 HydrophobicContact CE2-CD2 3.9Å; F687-Y737 HydrophobicContact CE2-CG 4.46Å; F687-Y737 AromaticContact CG-CD2 3.51Å; F687-Y737 HydrophobicContact CG-CD2 3.51Å; F687-Y737 AromaticContact CG-CE2 3.95Å; F687-Y737 HydrophobicContact CG-CE2 3.95Å; F687-Y737 HydrophobicContact CZ-CD2 4.07Å; F687-Y737 HydrophobicContact CZ-CG 4.5Å; F687-F740 HydrophobicContact CB-CD1 3.8Å; F687-F740 HydrophobicContact CB-CE1 3.7Å; F687-F740 HydrophobicContact CB-CZ 4.42Å; F687-F740 HydrophobicContact CD2-CB 3.8Å; F687-F740 AromaticContact CD2-CD1 3.63Å; F687-F740 HydrophobicContact CD2-CD1 3.63Å; F687-F740 HydrophobicContact CD2-CD2 4.29Å; F687-F740 HydrophobicContact CD2-CE1 4.27Å; F687-F740 AromaticContact CD2-CG 3.64Å; F687-F740 HydrophobicContact CD2-CG 3.64Å; F687-F740 HydrophobicContact CE2-CB 4.11Å; F687-F740 HydrophobicContact CE2-CG 4.39Å; F687-F740 HydrophobicContact CG-CD1 4.2Å
688	W	95.5	Very high	96.2	Very high	99 Å²	99	43.3 Å²	43.3	38%	0.375	21%	0.207	S	C	.	.	H	α-helix	trans	-64.8	-28.2	-179.2	-172.3	85.4	0	0	0	113.3	Y684 C685 L690 H694	Y684-W688 WeakPolarHBondContact O-CB 3.13Å; Y684-W688 PolarHBondContact O-N 3.32Å; C685-W688 PolarHBondContact O-N 3.43Å; C685-W688 VanDerWaalsContact O-N 3.17Å; W688-L690 PolarHBondContact O-N 3.46Å; W688-H694 AromaticContact CD1-CE1 3.88Å; W688-H694 AromaticContact CE2-CE1 3.52Å; W688-H694 AromaticContact CE2-NE2 3.82Å; W688-H694 AromaticContact CZ2-CE1 3.75Å; W688-H694 AromaticContact CZ2-NE2 3.79Å; W688-H694 AromaticContact NE1-CE1 3.11Å; W688-H694 PolarHBondContact NE1-CE1 3.33Å; W688-H694 AromaticContact NE1-ND1 3.74Å; W688-H694 AromaticContact NE1-NE2 3.37Å; W688-H694 PolarHBondContact NE1-NE2 3.17Å
689	E	95.6	Very high	96.1	Very high	86 Å²	86	42.7 Å²	42.7	40%	0.402	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-19.4	168.4	-77.7	168.3	-145.3	0	0	113.8	C685 K686 F687	C685-E689 WeakPolarHBondContact O-CG 3.42Å; C685-E689 PolarHBondContact O-N 2.82Å; K686-E689 IonicContact NZ-OE1 3.73Å; K686-E689 PolarHBondContact NZ-OE1 3.48Å; K686-E689 IonicContact NZ-OE2 2.77Å; K686-E689 PolarHBondContact NZ-OE2 3.42Å; F687-E689 VanDerWaalsContact C-N 3.28Å; F687-E689 PolarHBondContact O-N 3.31Å
690	L	96.7	Very high	96	Very high	8 Å²	8	46.9 Å²	46.9	4%	0.042	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.7	-40.3	-176.7	-55.2	179.8	0	0	0	112.1	F687 W688 E692 I698 R705 H706 F740	F687-L690 WeakPolarHBondContact O-CA 3.22Å; F687-L690 PolarHBondContact O-N 2.73Å; W688-L690 PolarHBondContact O-N 3.46Å; L690-E692 PolarHBondContact O-N 3.01Å; L690-I698 HydrophobicContact CB-CD1 3.56Å; L690-R705 HydrophobicContact CD2-CB 4.07Å; L690-R705 PolarHBondContact O-NH1 3.19Å; L690-R705 PolarHBondContact O-NH2 2.82Å; L690-H706 HydrophobicContact CD1-CB 3.97Å; L690-H706 HydrophobicContact CD2-CB 4.43Å; L690-F740 HydrophobicContact CD1-CE2 3.74Å; L690-F740 HydrophobicContact CD1-CZ 4.23Å
691	D	96.5	Very high	95.8	Very high	4 Å²	4	50.8 Å²	50.8	2%	0.021	25%	0.252	C	S	.	.			trans	-71.6	68.9	174.2	-177.7	12.4	0	0	0	110.6	F687 D693 H694 D695 L696 I698	F687-D691 HydrophobicContact CD1-CB 4.12Å; F687-D691 HydrophobicContact CE1-CB 3.81Å; F687-D691 WeakPolarHBondContact CE1-OD2 3.36Å; F687-D691 HydrophobicContact CZ-CB 4.27Å; F687-D691 PolarHBondContact O-N 2.85Å; D691-D693 PolarHBondContact O-N 2.98Å; D691-H694 PolarHBondContact O-CE1 3.33Å; D691-H694 PolarHBondContact O-N 3.15Å; D691-H694 PolarHBondContact O-ND1 2.72Å; D691-H694 WeakPolarHBondContact OD1-CA 3.21Å; D691-H694 PolarHBondContact OD1-N 2.98Å; D691-D695 PolarHBondContact OD1-N 3.21Å; D691-L696 PolarHBondContact OD1-N 3.03Å; D691-L696 VanDerWaalsContact OD2-CA 3.32Å; D691-L696 WeakPolarHBondContact OD2-CA 3.24Å; D691-L696 PolarHBondContact OD2-N 2.81Å; D691-I698 HydrophobicContact CB-CD1 4.06Å
692	E	95	Very high	95.8	Very high	136 Å²	136	51.1 Å²	51.1	64%	0.636	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.2	-27.5	-174.7	-77	-174.8	-154.4	0	0	113.5	L690 R705	L690-E692 PolarHBondContact O-N 3.01Å; E692-R705 IonicContact OE1-CZ 3.75Å; E692-R705 VanDerWaalsContact OE1-CZ 3.31Å; E692-R705 IonicContact OE1-NE 3.99Å; E692-R705 IonicContact OE1-NH1 3.91Å; E692-R705 PolarHBondContact OE1-NH1 3.06Å; E692-R705 IonicContact OE1-NH2 2.75Å
693	D	95.6	Very high	95.7	Very high	122 Å²	122	51.3 Å²	51.3	65%	0.652	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.7	1.1	176.7	54.7	-30.4	0	0	0	114.2	D691 D695	D691-D693 PolarHBondContact O-N 2.98Å; D693-D695 PolarHBondContact O-N 2.9Å
694	H	93.3	Very high	95.7	Very high	74 Å²	74	52 Å²	52	34%	0.343	26%	0.262	S	S	.	.			trans	59.7	28.9	171.6	-57.3	-11.7	0	0	0	113.9	W688 D691 L696	W688-H694 AromaticContact CD1-CE1 3.88Å; W688-H694 AromaticContact CE2-CE1 3.52Å; W688-H694 AromaticContact CE2-NE2 3.82Å; W688-H694 AromaticContact CZ2-CE1 3.75Å; W688-H694 AromaticContact CZ2-NE2 3.79Å; W688-H694 AromaticContact NE1-CE1 3.11Å; W688-H694 PolarHBondContact NE1-CE1 3.33Å; W688-H694 AromaticContact NE1-ND1 3.74Å; W688-H694 AromaticContact NE1-NE2 3.37Å; W688-H694 PolarHBondContact NE1-NE2 3.17Å; D691-H694 PolarHBondContact O-CE1 3.33Å; D691-H694 PolarHBondContact O-N 3.15Å; D691-H694 PolarHBondContact O-ND1 2.72Å; D691-H694 WeakPolarHBondContact OD1-CA 3.21Å; D691-H694 PolarHBondContact OD1-N 2.98Å; H694-L696 VanDerWaalsContact C-N 3.25Å; H694-L696 PolarHBondContact O-N 2.69Å
695	D	94	Very high	95.6	Very high	82 Å²	82	52.9 Å²	52.9	44%	0.439	27%	0.265	S	S	.	.	S	Bend	trans	-81.2	-7.4	178.8	99.7	-32.9	0	0	0	112.8	D691 D693 I697	D691-D695 PolarHBondContact OD1-N 3.21Å; D693-D695 PolarHBondContact O-N 2.9Å; D695-I697 VanDerWaalsContact C-N 3.32Å; D695-I697 WeakPolarHBondContact OD1-CA 3.34Å; D695-I697 WeakPolarHBondContact OD1-CB 3.47Å; D695-I697 PolarHBondContact OD1-N 3.07Å
696	L	93	Very high	95.6	Very high	77 Å²	77	52.4 Å²	52.4	40%	0.403	26%	0.261	S	S	.	.	S	Bend	trans	75.3	20.1	176.4	-47	160.8	0	0	0	113.7	R624 D691 H694	R624-L696 VanDerWaalsContact NH2-CD2 3.34Å; D691-L696 PolarHBondContact OD1-N 3.03Å; D691-L696 VanDerWaalsContact OD2-CA 3.32Å; D691-L696 WeakPolarHBondContact OD2-CA 3.24Å; D691-L696 PolarHBondContact OD2-N 2.81Å; H694-L696 VanDerWaalsContact C-N 3.25Å; H694-L696 PolarHBondContact O-N 2.69Å
697	I	94.6	Very high	95.4	Very high	56 Å²	56	54.1 Å²	54.1	29%	0.287	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	154.8	178.6	-51.1	-178.2	0	0	0	108.7	D695 V734	D695-I697 VanDerWaalsContact C-N 3.32Å; D695-I697 WeakPolarHBondContact OD1-CA 3.34Å; D695-I697 WeakPolarHBondContact OD1-CB 3.47Å; D695-I697 PolarHBondContact OD1-N 3.07Å; I697-V734 HydrophobicContact CG2-CB 3.37Å; I697-V734 HydrophobicContact CG2-CG1 3.94Å; I697-V734 HydrophobicContact CG2-CG2 3.54Å
698	I	95.8	Very high	95.2	Very high	0 Å²	0	61.1 Å²	61.1	0%	0	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	125.2	174.8	-68.6	-65.3	0	0	0	108.3	F687 L690 D691 D702 L703 F720 M735	F687-I698 HydrophobicContact CD2-CD1 4.28Å; F687-I698 HydrophobicContact CD2-CG1 3.83Å; F687-I698 HydrophobicContact CE2-CD1 4.09Å; F687-I698 HydrophobicContact CE2-CG1 3.39Å; F687-I698 HydrophobicContact CZ-CG1 4.11Å; L690-I698 HydrophobicContact CB-CD1 3.56Å; D691-I698 HydrophobicContact CB-CD1 4.06Å; I698-D702 HydrophobicContact CD1-CB 4.26Å; I698-D702 HydrophobicContact CG2-CB 4.19Å; I698-L703 HydrophobicContact CG2-CB 3.93Å; I698-L703 HydrophobicContact CG2-CD1 4.17Å; I698-F720 WeakPolarHBondContact O-CE1 3.33Å; I698-M735 HydrophobicContact CB-CB 4.14Å; I698-M735 HydrophobicContact CB-CG 4.42Å; I698-M735 HydrophobicContact CB-SD 4.28Å; I698-M735 HydrophobicContact CG2-CB 4.45Å; I698-M735 HydrophobicContact CG2-SD 4.07Å; I698-M735 PolarHBondContact N-O 2.81Å; I698-M735 WeakPolarHBondContact O-CB 3.12Å; I698-M735 PolarHBondContact O-N 2.63Å
699	S	94.9	Very high	95.2	Very high	42 Å²	42	63.4 Å²	63.4	29%	0.294	32%	0.319	S	S	.	.			trans	-88.7	176.9	172.1	89.8	0	0	0	0	111.7	S701 D702 L703 F720	S699-S701 VanDerWaalsContact C-N 3.28Å; S699-S701 PolarHBondContact O-N 3.41Å; S699-S701 PolarHBondContact OG-N 3.12Å; S699-D702 WeakPolarHBondContact CA-OD2 3.33Å; S699-D702 WeakPolarHBondContact CB-OD2 3.39Å; S699-D702 PolarHBondContact N-OD2 3.26Å; S699-D702 PolarHBondContact O-N 2.95Å; S699-D702 PolarHBondContact OG-OD2 3.44Å; S699-L703 PolarHBondContact O-N 3.38Å; S699-F720 VanDerWaalsContact C-CZ 3.42Å; S699-F720 WeakPolarHBondContact O-CZ 3.2Å
700	R	95.1	Very high	95.2	Very high	92 Å²	92	59.5 Å²	59.5	35%	0.347	30%	0.301	S	S	.	.	H	α-helix	trans	-57.8	-40.8	172.7	-72.6	168.6	178.9	66.6	3.8	112.3	D702 A704 I716 D717 F720 G733	R700-D702 VanDerWaalsContact C-N 3.26Å; R700-D702 PolarHBondContact O-N 3Å; R700-A704 WeakPolarHBondContact O-CB 3.48Å; R700-A704 PolarHBondContact O-N 3.29Å; R700-I716 HydrophobicContact CB-CG2 4.16Å; R700-I716 HydrophobicContact CG-CG2 4.24Å; R700-D717 WeakPolarHBondContact CD-OD1 3.4Å; R700-D717 IonicContact CZ-OD1 3.91Å; R700-D717 IonicContact NE-OD1 3.71Å; R700-D717 PolarHBondContact NE-OD1 3.36Å; R700-D717 IonicContact NH2-OD1 2.75Å; R700-F720 HydrophobicContact CB-CD2 4.47Å; R700-F720 HydrophobicContact CB-CE2 4.29Å; R700-F720 HydrophobicContact CG-CB 4.48Å; R700-F720 HydrophobicContact CG-CD2 3.5Å; R700-F720 VanDerWaalsContact CG-CD2 3.5Å; R700-F720 HydrophobicContact CG-CE2 3.76Å; R700-F720 HydrophobicContact CG-CG 3.95Å; R700-F720 HydrophobicContact CG-CZ 4.36Å; R700-F720 VanDerWaalsContact CZ-CB 3.49Å; R700-F720 VanDerWaalsContact NH2-CB 3.29Å; R700-G733 PolarHBondContact NH1-O 2.75Å
701	S	94.8	Very high	95.3	Very high	83 Å²	83	59.7 Å²	59.7	58%	0.58	30%	0.302	S	S	*	.	H	α-helix	trans	-70.9	-25.7	-177.4	-63	0	0	0	0	112.3	S699	S699-S701 VanDerWaalsContact C-N 3.28Å; S699-S701 PolarHBondContact O-N 3.41Å; S699-S701 PolarHBondContact OG-N 3.12Å
702	D	96.9	Very high	95.3	Very high	29 Å²	29	59.5 Å²	59.5	16%	0.155	30%	0.301	C	S	.	.	H	α-helix	trans	-85.3	-43	179.6	-44.3	-48.5	0	0	0	109.8	I698 S699 R700 A704 R705	I698-D702 HydrophobicContact CD1-CB 4.26Å; I698-D702 HydrophobicContact CG2-CB 4.19Å; S699-D702 WeakPolarHBondContact CA-OD2 3.33Å; S699-D702 WeakPolarHBondContact CB-OD2 3.39Å; S699-D702 PolarHBondContact N-OD2 3.26Å; S699-D702 PolarHBondContact O-N 2.95Å; S699-D702 PolarHBondContact OG-OD2 3.44Å; R700-D702 VanDerWaalsContact C-N 3.26Å; R700-D702 PolarHBondContact O-N 3Å; D702-A704 PolarHBondContact O-N 3.04Å; D702-R705 VanDerWaalsContact CB-NH2 3.3Å; D702-R705 VanDerWaalsContact CG-NH2 3.31Å; D702-R705 WeakPolarHBondContact O-CB 3.39Å; D702-R705 PolarHBondContact O-N 3.27Å; D702-R705 IonicContact OD1-CZ 3.97Å; D702-R705 IonicContact OD1-NE 2.67Å; D702-R705 IonicContact OD1-NH2 3.3Å; D702-R705 PolarHBondContact OD1-NH2 3.14Å
703	L	97	Very high	95.4	Very high	4 Å²	4	60 Å²	60	2%	0.021	30%	0.303	C	S	.	.	H	α-helix	trans	-61.6	-30	170.5	-160.6	69.3	0	0	0	112.2	I698 S699 R705 H706 I716 I719 F720 M735 F740 F743	I698-L703 HydrophobicContact CG2-CB 3.93Å; I698-L703 HydrophobicContact CG2-CD1 4.17Å; S699-L703 PolarHBondContact O-N 3.38Å; L703-R705 VanDerWaalsContact C-N 3.32Å; L703-R705 PolarHBondContact O-N 3.21Å; L703-H706 WeakPolarHBondContact O-CB 3.27Å; L703-H706 PolarHBondContact O-N 3.48Å; L703-I716 HydrophobicContact CD2-CG2 4.35Å; L703-I719 HydrophobicContact CD2-CB 4.49Å; L703-I719 HydrophobicContact CD2-CD1 3.88Å; L703-I719 HydrophobicContact CD2-CG2 4.22Å; L703-F720 HydrophobicContact CB-CE2 4.1Å; L703-F720 HydrophobicContact CB-CZ 4.26Å; L703-F720 HydrophobicContact CD2-CE2 3.63Å; L703-F720 HydrophobicContact CD2-CZ 4.18Å; L703-M735 HydrophobicContact CD1-CE 4Å; L703-M735 HydrophobicContact CD1-SD 4Å; L703-M735 HydrophobicContact CD2-CE 3.64Å; L703-M735 HydrophobicContact CG-CE 4.47Å; L703-F740 HydrophobicContact CD1-CD2 4.32Å; L703-F740 HydrophobicContact CD1-CE2 4.39Å; L703-F743 HydrophobicContact CD1-CD1 3.78Å; L703-F743 HydrophobicContact CD1-CD2 4.36Å; L703-F743 HydrophobicContact CD1-CE1 3.57Å; L703-F743 HydrophobicContact CD1-CE2 4.16Å; L703-F743 HydrophobicContact CD1-CG 4.17Å; L703-F743 HydrophobicContact CD1-CZ 3.76Å; L703-F743 HydrophobicContact CD2-CD2 4.49Å; L703-F743 HydrophobicContact CD2-CE2 4.34Å; L703-F743 HydrophobicContact CG-CE2 4.46Å; L703-F743 HydrophobicContact CG-CZ 4.3Å
704	A	96.6	Very high	95.6	Very high	14 Å²	14	57.7 Å²	57.7	12%	0.116	29%	0.286	C	S	.	.	H	α-helix	trans	-64.9	-31.8	173.4	0	0	0	0	0	113.2	R700 D702 H706 Y709 I716	R700-A704 WeakPolarHBondContact O-CB 3.48Å; R700-A704 PolarHBondContact O-N 3.29Å; D702-A704 PolarHBondContact O-N 3.04Å; A704-H706 PolarHBondContact O-N 3.01Å; A704-Y709 HydrophobicContact CB-CD1 4.09Å; A704-Y709 HydrophobicContact CB-CE1 4.13Å; A704-Y709 WeakPolarHBondContact O-CA 3.31Å; A704-Y709 WeakPolarHBondContact O-CD1 3.26Å; A704-Y709 PolarHBondContact O-N 2.92Å; A704-I716 HydrophobicContact CB-CD1 3.93Å
705	R	96.5	Very high	95.8	Very high	55 Å²	55	54.2 Å²	54.2	21%	0.208	27%	0.269	C	S	.	.	H	α-helix	trans	-68.8	-20.5	176.2	-70.2	-177.7	-78.5	116.3	0.3	112.8	L690 E692 D702 L703 N707 N708 Y709	L690-R705 HydrophobicContact CD2-CB 4.07Å; L690-R705 PolarHBondContact O-NH1 3.19Å; L690-R705 PolarHBondContact O-NH2 2.82Å; E692-R705 IonicContact OE1-CZ 3.75Å; E692-R705 VanDerWaalsContact OE1-CZ 3.31Å; E692-R705 IonicContact OE1-NE 3.99Å; E692-R705 IonicContact OE1-NH1 3.91Å; E692-R705 PolarHBondContact OE1-NH1 3.06Å; E692-R705 IonicContact OE1-NH2 2.75Å; D702-R705 VanDerWaalsContact CB-NH2 3.3Å; D702-R705 VanDerWaalsContact CG-NH2 3.31Å; D702-R705 WeakPolarHBondContact O-CB 3.39Å; D702-R705 PolarHBondContact O-N 3.27Å; D702-R705 IonicContact OD1-CZ 3.97Å; D702-R705 IonicContact OD1-NE 2.67Å; D702-R705 IonicContact OD1-NH2 3.3Å; D702-R705 PolarHBondContact OD1-NH2 3.14Å; L703-R705 VanDerWaalsContact C-N 3.32Å; L703-R705 PolarHBondContact O-N 3.21Å; R705-N707 PolarHBondContact O-N 3.38Å; R705-N708 PolarHBondContact O-N 3.49Å; R705-Y709 HydrophobicContact CG-CE1 4.47Å
706	H	95.2	Very high	96	Very high	8 Å²	8	50.7 Å²	50.7	4%	0.037	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.1	132.9	-177.2	-178.2	69.3	0	0	0	113.5	L690 L703 A704 N708 Y709 A710 F743	L690-H706 HydrophobicContact CD1-CB 3.97Å; L690-H706 HydrophobicContact CD2-CB 4.43Å; L703-H706 WeakPolarHBondContact O-CB 3.27Å; L703-H706 PolarHBondContact O-N 3.48Å; A704-H706 PolarHBondContact O-N 3.01Å; H706-N708 PolarHBondContact O-N 3.25Å; H706-N708 VanDerWaalsContact O-N 3.16Å; H706-Y709 PolarHBondContact O-N 3.22Å; H706-A710 PolarHBondContact O-N 2.67Å; H706-F743 AromaticContact CD2-CE1 3.65Å; H706-F743 AromaticContact CD2-CZ 3.55Å; H706-F743 AromaticContact CG-CE1 3.99Å; H706-F743 AromaticContact NE2-CE1 3.76Å; H706-F743 AromaticContact NE2-CZ 3.95Å
707	N	92.7	Very high	96.1	Very high	63 Å²	63	51 Å²	51	34%	0.337	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	47.7	39.6	-178.5	-72.9	-11.7	0	0	0	113.4	R705 A710 E748	R705-N707 PolarHBondContact O-N 3.38Å; N707-A710 HydrophobicContact CB-CB 3.94Å; N707-A710 WeakPolarHBondContact O-CB 3.48Å; N707-E748 PolarHBondContact ND2-OE1 3.21Å
708	N	93.2	Very high	96.3	Very high	150 Å²	150	50.4 Å²	50.4	80%	0.802	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.2	54.6	-177.8	-63.4	-26.6	0	0	0	113.6	R705 H706 A710	R705-N708 PolarHBondContact O-N 3.49Å; H706-N708 PolarHBondContact O-N 3.25Å; H706-N708 VanDerWaalsContact O-N 3.16Å; N708-A710 VanDerWaalsContact C-N 3.32Å; N708-A710 PolarHBondContact O-N 2.88Å
709	Y	95.4	Very high	96.3	Very high	147 Å²	147	50.4 Å²	50.4	58%	0.576	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.2	42.5	-179.6	-52.6	-95.8	0	0	0	112.5	A704 R705 H706 R786	A704-Y709 HydrophobicContact CB-CD1 4.09Å; A704-Y709 HydrophobicContact CB-CE1 4.13Å; A704-Y709 WeakPolarHBondContact O-CA 3.31Å; A704-Y709 WeakPolarHBondContact O-CD1 3.26Å; A704-Y709 PolarHBondContact O-N 2.92Å; R705-Y709 HydrophobicContact CG-CE1 4.47Å; H706-Y709 PolarHBondContact O-N 3.22Å; Y709-R786 PolarHBondContact O-NH2 2.69Å
710	A	96.7	Very high	96.3	Very high	3 Å²	3	48.5 Å²	48.5	3%	0.025	23%	0.233	C	C	.	.			trans	-67.3	-43.8	-178.5	0	0	0	0	0	112.8	H706 N707 N708 R786 L837 P838	H706-A710 PolarHBondContact O-N 2.67Å; N707-A710 HydrophobicContact CB-CB 3.94Å; N707-A710 WeakPolarHBondContact O-CB 3.48Å; N708-A710 VanDerWaalsContact C-N 3.32Å; N708-A710 PolarHBondContact O-N 2.88Å; A710-R786 PolarHBondContact O-NH1 2.58Å; A710-R786 PolarHBondContact O-NH2 3.29Å; A710-L837 PolarHBondContact O-N 2.79Å; A710-P838 HydrophobicContact CB-CG 3.82Å; A710-P838 WeakPolarHBondContact O-CD 3.37Å
711	I	97.7	Very high	96.3	Very high	13 Å²	13	46.2 Å²	46.2	7%	0.067	23%	0.231	C	C	.	.	B	Isolated β-bridge	trans	-86.1	141.5	-175.7	-59.5	177.7	0	0	0	110.4	M715 I716 F743 E747 W759 F835	I711-M715 HydrophobicContact CG2-CB 3.77Å; I711-M715 HydrophobicContact CG2-CG 3.75Å; I711-I716 HydrophobicContact CB-CG1 4.49Å; I711-I716 HydrophobicContact CG2-CG1 4.08Å; I711-F743 HydrophobicContact CD1-CE2 3.56Å; I711-F743 HydrophobicContact CD1-CZ 3.67Å; I711-E747 HydrophobicContact CD1-CG 4.1Å; I711-W759 HydrophobicContact CD1-CH2 4.23Å; I711-F835 CarbonylContact C-O 3.34Å; I711-F835 WeakPolarHBondContact CA-O 3.41Å; I711-F835 HydrophobicContact CG2-CD2 4.22Å
712	S	97.8	Very high	96.1	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	22%	0.216	C	C	.	.			trans	-64.6	146.9	177.4	54	0	0	0	0	113.6	R714 M715 I716 E782 F835	S712-R714 VanDerWaalsContact C-N 3.31Å; S712-R714 PolarHBondContact O-N 2.85Å; S712-M715 PolarHBondContact O-N 2.87Å; S712-M715 VanDerWaalsContact OG-CB 3.31Å; S712-M715 WeakPolarHBondContact OG-CB 3.43Å; S712-I716 PolarHBondContact O-N 3.25Å; S712-E782 WeakPolarHBondContact CA-OE1 3.44Å; S712-E782 VanDerWaalsContact CB-CD 3.49Å; S712-E782 WeakPolarHBondContact CB-OE1 3.46Å; S712-F835 PolarHBondContact N-O 3.24Å; S712-F835 WeakPolarHBondContact OG-CB 3.21Å
713	E	97.6	Very high	96	Very high	146 Å²	146	42.6 Å²	42.6	68%	0.682	21%	0.213	S	C	*	.	H	α-helix	trans	-60.1	-41	179.4	-68.2	-167.7	156.1	0	0	111.2	M715 I716 D717 E782	E713-M715 PolarHBondContact O-N 3.4Å; E713-I716 WeakPolarHBondContact O-CB 3.48Å; E713-I716 PolarHBondContact O-N 3Å; E713-D717 PolarHBondContact O-N 3.49Å; E713-E782 PolarHBondContact N-OE1 2.81Å; E713-E782 PolarHBondContact N-OE2 2.93Å
714	R	98.1	Very high	95.9	Very high	74 Å²	74	43.1 Å²	43.1	28%	0.279	22%	0.216	S	C	.	.	H	α-helix	trans	-61	-31.3	174.7	-70.7	171.6	-155.5	-168.2	11.7	113.1	S712 R718 Y778 F779 S781 E782	S712-R714 VanDerWaalsContact C-N 3.31Å; S712-R714 PolarHBondContact O-N 2.85Å; R714-R718 VanDerWaalsContact O-CG 3.29Å; R714-R718 WeakPolarHBondContact O-CG 3.44Å; R714-R718 PolarHBondContact O-N 3.27Å; R714-Y778 HydrophobicContact CB-CE1 3.86Å; R714-Y778 VanDerWaalsContact CD-O 3.22Å; R714-Y778 WeakPolarHBondContact CD-O 3.4Å; R714-Y778 HydrophobicContact CG-CE1 4.07Å; R714-Y778 HydrophobicContact CG-CE2 4.39Å; R714-Y778 PolarHBondContact NH1-O 3.17Å; R714-F779 HydrophobicContact CB-CD1 4.24Å; R714-F779 HydrophobicContact CB-CE1 4.34Å; R714-S781 PolarHBondContact NH1-OG 3.37Å; R714-E782 VanDerWaalsContact CB-OE2 3.29Å; R714-E782 WeakPolarHBondContact CB-OE2 3.46Å; R714-E782 WeakPolarHBondContact CD-OE2 3.38Å; R714-E782 WeakPolarHBondContact CG-OE2 3.34Å; R714-E782 PolarHBondContact N-OE2 3.47Å; R714-E782 IonicContact NE-OE2 2.75Å
715	M	98.5	Very high	95.4	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-78.7	-38.7	175.7	-178.5	50.8	65.6	0	0	111.5	I711 S712 E713 D717 R718 I719 W759 C762 M763 F779 F835	I711-M715 HydrophobicContact CG2-CB 3.77Å; I711-M715 HydrophobicContact CG2-CG 3.75Å; S712-M715 PolarHBondContact O-N 2.87Å; S712-M715 VanDerWaalsContact OG-CB 3.31Å; S712-M715 WeakPolarHBondContact OG-CB 3.43Å; E713-M715 PolarHBondContact O-N 3.4Å; M715-D717 PolarHBondContact O-N 3.06Å; M715-R718 WeakPolarHBondContact O-CB 3.29Å; M715-R718 PolarHBondContact O-N 2.83Å; M715-R718 VanDerWaalsContact O-N 3.16Å; M715-R718 HydrophobicContact SD-CB 4.41Å; M715-I719 PolarHBondContact O-N 2.99Å; M715-I719 VanDerWaalsContact O-N 3.09Å; M715-W759 HydrophobicContact CG-CE3 4.26Å; M715-W759 HydrophobicContact CG-CZ3 3.77Å; M715-W759 HydrophobicContact SD-CE3 3.79Å; M715-W759 HydrophobicContact SD-CZ3 3.76Å; M715-C762 HydrophobicContact CE-CB 4.1Å; M715-C762 HydrophobicContact SD-CB 3.43Å; M715-C762 WeakPolarHBondContact SD-CB 3.5Å; M715-M763 HydrophobicContact CE-CG 3.56Å; M715-F779 HydrophobicContact CE-CD1 3.96Å; M715-F779 HydrophobicContact CE-CE1 3.57Å; M715-F779 HydrophobicContact CE-CZ 3.9Å; M715-F835 HydrophobicContact CB-CB 3.75Å; M715-F835 HydrophobicContact CB-CG 4.18Å; M715-F835 HydrophobicContact CE-CB 4.35Å; M715-F835 HydrophobicContact CE-CD1 3.57Å; M715-F835 HydrophobicContact CE-CE1 3.95Å; M715-F835 HydrophobicContact CE-CG 4.02Å; M715-F835 HydrophobicContact CG-CB 3.94Å; M715-F835 HydrophobicContact CG-CD1 4.28Å; M715-F835 HydrophobicContact CG-CD2 3.84Å; M715-F835 HydrophobicContact CG-CE2 4.36Å; M715-F835 HydrophobicContact CG-CG 3.79Å
716	I	97.5	Very high	94.6	Very high	9 Å²	9	45.4 Å²	45.4	5%	0.046	22%	0.222	C	C	.	.	H	α-helix	trans	-56.7	-50.7	171.5	-70.5	162.7	0	0	0	110	R700 L703 A704 I711 S712 E713 R718 I719 F720	R700-I716 HydrophobicContact CB-CG2 4.16Å; R700-I716 HydrophobicContact CG-CG2 4.24Å; L703-I716 HydrophobicContact CD2-CG2 4.35Å; A704-I716 HydrophobicContact CB-CD1 3.93Å; I711-I716 HydrophobicContact CB-CG1 4.49Å; I711-I716 HydrophobicContact CG2-CG1 4.08Å; S712-I716 PolarHBondContact O-N 3.25Å; E713-I716 WeakPolarHBondContact O-CB 3.48Å; E713-I716 PolarHBondContact O-N 3Å; I716-R718 PolarHBondContact O-N 3.3Å; I716-R718 VanDerWaalsContact O-N 3.15Å; I716-I719 WeakPolarHBondContact O-CB 3.48Å; I716-I719 PolarHBondContact O-N 3.35Å; I716-F720 HydrophobicContact CG2-CD2 4.15Å; I716-F720 HydrophobicContact CG2-CE2 3.97Å; I716-F720 VanDerWaalsContact O-CD2 3.31Å; I716-F720 WeakPolarHBondContact O-CD2 3.12Å; I716-F720 PolarHBondContact O-N 3.28Å
717	D	96.2	Very high	93.9	Very high	83 Å²	83	47.7 Å²	47.7	44%	0.444	25%	0.247	S	C	.	.	H	α-helix	trans	-57.2	-33.7	178.1	-115.4	-20	0	0	0	112.8	R700 E713 M715 F720 S721	R700-D717 WeakPolarHBondContact CD-OD1 3.4Å; R700-D717 IonicContact CZ-OD1 3.91Å; R700-D717 IonicContact NE-OD1 3.71Å; R700-D717 PolarHBondContact NE-OD1 3.36Å; R700-D717 IonicContact NH2-OD1 2.75Å; E713-D717 PolarHBondContact O-N 3.49Å; M715-D717 PolarHBondContact O-N 3.06Å; D717-F720 CarbonylContact O-C 3.55Å; D717-F720 PolarHBondContact O-N 3.5Å; D717-S721 WeakPolarHBondContact O-CB 3.44Å; D717-S721 PolarHBondContact O-N 3.08Å; D717-S721 VanDerWaalsContact O-N 3.09Å
718	R	97.3	Very high	93.2	Very high	43 Å²	43	48.8 Å²	48.8	16%	0.162	26%	0.257	C	S	.	.	H	α-helix	trans	-71.4	-32.3	175.4	-72.8	-65.6	-58.5	-174.3	0.6	113.5	R714 M715 I716 F720 S721 R761 C762 D764 L765 F779	R714-R718 VanDerWaalsContact O-CG 3.29Å; R714-R718 WeakPolarHBondContact O-CG 3.44Å; R714-R718 PolarHBondContact O-N 3.27Å; M715-R718 WeakPolarHBondContact O-CB 3.29Å; M715-R718 PolarHBondContact O-N 2.83Å; M715-R718 VanDerWaalsContact O-N 3.16Å; M715-R718 HydrophobicContact SD-CB 4.41Å; I716-R718 PolarHBondContact O-N 3.3Å; I716-R718 VanDerWaalsContact O-N 3.15Å; R718-F720 VanDerWaalsContact C-N 3.32Å; R718-F720 PolarHBondContact O-N 3.03Å; R718-S721 WeakPolarHBondContact O-CB 3.45Å; R718-S721 PolarHBondContact O-N 2.84Å; R718-S721 PolarHBondContact O-OG 3.39Å; R718-R761 PolarHBondContact NH2-O 3.02Å; R718-C762 HydrophobicContact CB-CB 4.12Å; R718-C762 WeakPolarHBondContact CG-O 3.33Å; R718-C762 PolarHBondContact NE-O 2.93Å; R718-C762 PolarHBondContact NH2-O 3.04Å; R718-D764 PolarHBondContact NH2-O 3.39Å; R718-L765 HydrophobicContact CG-CD2 4.13Å; R718-L765 PolarHBondContact NH1-O 2.97Å; R718-F779 HydrophobicContact CG-CE1 4.22Å; R718-F779 HydrophobicContact CG-CZ 4.09Å
719	I	96.9	Very high	92.5	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	22%	0.219	C	C	.	.	I	π-helix	trans	-61.2	-43.1	172.3	-66.1	165.5	0	0	0	110.8	L703 M715 I716 S721 V724 T725 M735 F743 Y758 W759	L703-I719 HydrophobicContact CD2-CB 4.49Å; L703-I719 HydrophobicContact CD2-CD1 3.88Å; L703-I719 HydrophobicContact CD2-CG2 4.22Å; M715-I719 PolarHBondContact O-N 2.99Å; M715-I719 VanDerWaalsContact O-N 3.09Å; I716-I719 WeakPolarHBondContact O-CB 3.48Å; I716-I719 PolarHBondContact O-N 3.35Å; I719-S721 VanDerWaalsContact C-N 3.31Å; I719-S721 PolarHBondContact O-N 3.45Å; I719-V724 HydrophobicContact CB-CG2 4.25Å; I719-V724 HydrophobicContact CG1-CG2 4.45Å; I719-V724 HydrophobicContact CG2-CG2 3.95Å; I719-T725 WeakPolarHBondContact O-CG2 3.33Å; I719-T725 PolarHBondContact O-OG1 3.27Å; I719-M735 HydrophobicContact CG2-CE 3.39Å; I719-F743 HydrophobicContact CD1-CD2 3.77Å; I719-F743 HydrophobicContact CD1-CE2 3.84Å; I719-Y758 HydrophobicContact CG1-CE1 4.3Å; I719-Y758 WeakPolarHBondContact CG2-OH 3.27Å; I719-W759 HydrophobicContact CD1-CH2 4.13Å; I719-W759 HydrophobicContact CD1-CZ3 4.04Å; I719-W759 HydrophobicContact CG1-CZ3 4.39Å
720	F	95.3	Very high	92	Very high	3 Å²	3	39.3 Å²	39.3	1%	0.013	21%	0.212	C	C	.	.	I	π-helix	trans	-82.4	1.2	176.9	-65	-88.9	0	0	0	114.5	I698 S699 R700 L703 I716 D717 R718 G722 G733 M735	I698-F720 WeakPolarHBondContact O-CE1 3.33Å; S699-F720 VanDerWaalsContact C-CZ 3.42Å; S699-F720 WeakPolarHBondContact O-CZ 3.2Å; R700-F720 HydrophobicContact CB-CD2 4.47Å; R700-F720 HydrophobicContact CB-CE2 4.29Å; R700-F720 HydrophobicContact CG-CB 4.48Å; R700-F720 HydrophobicContact CG-CD2 3.5Å; R700-F720 VanDerWaalsContact CG-CD2 3.5Å; R700-F720 HydrophobicContact CG-CE2 3.76Å; R700-F720 HydrophobicContact CG-CG 3.95Å; R700-F720 HydrophobicContact CG-CZ 4.36Å; R700-F720 VanDerWaalsContact CZ-CB 3.49Å; R700-F720 VanDerWaalsContact NH2-CB 3.29Å; L703-F720 HydrophobicContact CB-CE2 4.1Å; L703-F720 HydrophobicContact CB-CZ 4.26Å; L703-F720 HydrophobicContact CD2-CE2 3.63Å; L703-F720 HydrophobicContact CD2-CZ 4.18Å; I716-F720 HydrophobicContact CG2-CD2 4.15Å; I716-F720 HydrophobicContact CG2-CE2 3.97Å; I716-F720 VanDerWaalsContact O-CD2 3.31Å; I716-F720 WeakPolarHBondContact O-CD2 3.12Å; I716-F720 PolarHBondContact O-N 3.28Å; D717-F720 CarbonylContact O-C 3.55Å; D717-F720 PolarHBondContact O-N 3.5Å; R718-F720 VanDerWaalsContact C-N 3.32Å; R718-F720 PolarHBondContact O-N 3.03Å; F720-G722 VanDerWaalsContact C-N 3.28Å; F720-G722 PolarHBondContact O-N 2.94Å; F720-G733 VanDerWaalsContact CD1-O 3.27Å; F720-G733 WeakPolarHBondContact CD1-O 3.45Å; F720-M735 HydrophobicContact CD1-CB 4.46Å; F720-M735 HydrophobicContact CE1-CB 3.59Å; F720-M735 HydrophobicContact CZ-CB 3.95Å; F720-M735 HydrophobicContact CZ-CE 4.49Å
721	S	93.5	Very high	91.3	Very high	44 Å²	44	47.3 Å²	47.3	31%	0.308	25%	0.246	S	C	.	.	I	π-helix	trans	-80.5	1.3	-176.6	73.2	0	0	0	0	115.3	D717 R718 I719 A723 F730	D717-S721 WeakPolarHBondContact O-CB 3.44Å; D717-S721 PolarHBondContact O-N 3.08Å; D717-S721 VanDerWaalsContact O-N 3.09Å; R718-S721 WeakPolarHBondContact O-CB 3.45Å; R718-S721 PolarHBondContact O-N 2.84Å; R718-S721 PolarHBondContact O-OG 3.39Å; I719-S721 VanDerWaalsContact C-N 3.31Å; I719-S721 PolarHBondContact O-N 3.45Å; S721-A723 WeakPolarHBondContact OG-CB 3.44Å; S721-A723 PolarHBondContact OG-N 2.75Å; S721-F730 WeakPolarHBondContact O-CE2 3.32Å
722	G	91.8	Very high	90.7	Very high	26 Å²	26	52.5 Å²	52.5	27%	0.268	27%	0.27	S	S	.	.	I	π-helix	trans	80.3	4	-170	0	0	0	0	0	113.7	F720 T725	F720-G722 VanDerWaalsContact C-N 3.28Å; F720-G722 PolarHBondContact O-N 2.94Å; G722-T725 CarbonylContact C-O 3.58Å; G722-T725 WeakPolarHBondContact CA-O 3.3Å; G722-T725 PolarHBondContact N-OG1 3.22Å
723	A	94.3	Very high	90.2	Very high	10 Å²	10	53.4 Å²	53.4	8%	0.083	28%	0.279	C	S	.	.	I	π-helix	trans	-58.2	-59.2	168.5	0	0	0	0	0	110.4	S721 R761	S721-A723 WeakPolarHBondContact OG-CB 3.44Å; S721-A723 PolarHBondContact OG-N 2.75Å; A723-R761 WeakPolarHBondContact CB-O 3.46Å; A723-R761 PolarHBondContact O-NH1 3.4Å; A723-R761 PolarHBondContact O-NH2 3.02Å
724	V	95.3	Very high	89.8	Confident	14 Å²	14	47.8 Å²	47.8	9%	0.085	26%	0.255	C	S	.	.	S	Bend	trans	-106.8	-40.5	-177.5	-71.9	0	0	0	0	112.8	W641 I719 Y758	W641-V724 HydrophobicContact CH2-CG1 4.33Å; I719-V724 HydrophobicContact CB-CG2 4.25Å; I719-V724 HydrophobicContact CG1-CG2 4.45Å; I719-V724 HydrophobicContact CG2-CG2 3.95Å; V724-Y758 HydrophobicContact CB-CD2 3.97Å; V724-Y758 HydrophobicContact CB-CE2 3.66Å; V724-Y758 HydrophobicContact CG1-CD1 4.13Å; V724-Y758 HydrophobicContact CG1-CD2 3.63Å; V724-Y758 HydrophobicContact CG1-CE1 4.29Å; V724-Y758 HydrophobicContact CG1-CE2 3.81Å; V724-Y758 HydrophobicContact CG1-CG 3.79Å; V724-Y758 HydrophobicContact CG2-CE1 4.22Å; V724-Y758 HydrophobicContact CG2-CE2 3.82Å
725	T	85	Confident	89.7	Confident	3 Å²	3	44.3 Å²	44.3	2%	0.018	24%	0.242	C	C	.	.			trans	-66.6	151.6	171.5	43.9	0	0	0	0	112.2	I719 G722 D739	I719-T725 WeakPolarHBondContact O-CG2 3.33Å; I719-T725 PolarHBondContact O-OG1 3.27Å; G722-T725 CarbonylContact C-O 3.58Å; G722-T725 WeakPolarHBondContact CA-O 3.3Å; G722-T725 PolarHBondContact N-OG1 3.22Å; T725-D739 HydrophobicContact CG2-CB 4.41Å
726	R	80	Confident	89.5	Confident	115 Å²	115	46.5 Å²	46.5	43%	0.434	26%	0.255	S	S	.	.			trans	-146.4	172.5	-176.2	-67.5	-172.1	176.8	-177.3	2.3	113	W641	W641-R726 VanDerWaalsContact O-CZ 3.26Å; W641-R726 PolarHBondContact O-NH1 3.23Å; W641-R726 PolarHBondContact O-NH2 3.47Å
727	G	80	Confident	89.4	Confident	55 Å²	55	46.1 Å²	46.1	57%	0.567	25%	0.253	S	S	*	.	H	α-helix	trans	74.7	-129.9	168.8	0	0	0	0	0	113.6
728	T	79.5	Confident	89.4	Confident	87 Å²	87	44.2 Å²	44.2	53%	0.534	25%	0.245	S	C	.	.	H	α-helix	trans	-76.7	-45.5	175.4	44.8	0	0	0	0	111.4	F730 K731 E732	T728-F730 VanDerWaalsContact C-N 3.3Å; T728-F730 PolarHBondContact O-N 2.82Å; T728-F730 VanDerWaalsContact O-N 3.15Å; T728-K731 WeakPolarHBondContact O-CA 3.32Å; T728-K731 WeakPolarHBondContact O-CB 3.49Å; T728-K731 PolarHBondContact O-N 2.69Å; T728-E732 VanDerWaalsContact C-OE2 3.24Å; T728-E732 WeakPolarHBondContact CB-OE1 3.48Å; T728-E732 WeakPolarHBondContact CB-OE2 3.49Å; T728-E732 VanDerWaalsContact O-CD 3.28Å; T728-E732 PolarHBondContact O-N 3.27Å
729	A	78.9	Confident	89.3	Confident	2 Å²	2	43.7 Å²	43.7	2%	0.017	25%	0.246	C	C	.	.	H	α-helix	trans	-47.2	-49.1	-179.7	0	0	0	0	0	113.1	K731 E732 G733 V734 T736	A729-K731 PolarHBondContact O-N 3.37Å; A729-E732 PolarHBondContact O-N 2.75Å; A729-G733 PolarHBondContact O-N 2.78Å; A729-V734 CarbonylContact C-O 3.59Å; A729-V734 HydrophobicContact CB-CG2 4.47Å; A729-V734 PolarHBondContact O-N 3.23Å; A729-T736 HydrophobicContact CB-CG2 3.96Å
730	F	83.4	Confident	89.4	Confident	96 Å²	96	43.7 Å²	43.7	42%	0.421	25%	0.246	S	C	.	.	H	α-helix	trans	-59.3	-40.4	174.2	165.2	-122.6	0	0	0	113.8	S721 T728 G733	S721-F730 WeakPolarHBondContact O-CE2 3.32Å; T728-F730 VanDerWaalsContact C-N 3.3Å; T728-F730 PolarHBondContact O-N 2.82Å; T728-F730 VanDerWaalsContact O-N 3.15Å; F730-G733 PolarHBondContact O-N 2.96Å
731	K	81.7	Confident	89.5	Confident	171 Å²	171	43.5 Å²	43.5	74%	0.743	25%	0.245	S	C	*	.	H	α-helix	trans	-71.8	-37.8	179.9	-64.3	176.1	179.9	178.1	0	112.8	T728 A729	T728-K731 WeakPolarHBondContact O-CA 3.32Å; T728-K731 WeakPolarHBondContact O-CB 3.49Å; T728-K731 PolarHBondContact O-N 2.69Å; A729-K731 PolarHBondContact O-N 3.37Å
732	E	85.7	Confident	89.7	Confident	122 Å²	122	43.1 Å²	43.1	57%	0.57	24%	0.237	S	C	*	.	H	α-helix	trans	-72	-18.1	172.1	-75.2	114.1	-131.5	0	0	111.6	T728 A729 V734	T728-E732 VanDerWaalsContact C-OE2 3.24Å; T728-E732 WeakPolarHBondContact CB-OE1 3.48Å; T728-E732 WeakPolarHBondContact CB-OE2 3.49Å; T728-E732 VanDerWaalsContact O-CD 3.28Å; T728-E732 PolarHBondContact O-N 3.27Å; A729-E732 PolarHBondContact O-N 2.75Å; E732-V734 HydrophobicContact CB-CG1 4.39Å; E732-V734 HydrophobicContact CB-CG2 3.86Å
733	G	87.5	Confident	90	Very high	18 Å²	18	41.9 Å²	41.9	19%	0.186	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	81.7	24.1	178.4	0	0	0	0	0	113.4	R700 F720 A729 F730	R700-G733 PolarHBondContact NH1-O 2.75Å; F720-G733 VanDerWaalsContact CD1-O 3.27Å; F720-G733 WeakPolarHBondContact CD1-O 3.45Å; A729-G733 PolarHBondContact O-N 2.78Å; F730-G733 PolarHBondContact O-N 2.96Å
734	V	90.3	Very high	90.2	Very high	29 Å²	29	41.4 Å²	41.4	18%	0.176	22%	0.22	C	C	.	.			trans	-125.9	173.9	-169.1	-56	0	0	0	0	112.6	I697 A729 E732	I697-V734 HydrophobicContact CG2-CB 3.37Å; I697-V734 HydrophobicContact CG2-CG1 3.94Å; I697-V734 HydrophobicContact CG2-CG2 3.54Å; A729-V734 CarbonylContact C-O 3.59Å; A729-V734 HydrophobicContact CB-CG2 4.47Å; A729-V734 PolarHBondContact O-N 3.23Å; E732-V734 HydrophobicContact CB-CG1 4.39Å; E732-V734 HydrophobicContact CB-CG2 3.86Å
735	M	94.5	Very high	90.3	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	125.5	179.3	174.3	-172.8	-76.5	0	0	109	I698 L703 I719 F720 D739 F740 F743	I698-M735 HydrophobicContact CB-CB 4.14Å; I698-M735 HydrophobicContact CB-CG 4.42Å; I698-M735 HydrophobicContact CB-SD 4.28Å; I698-M735 HydrophobicContact CG2-CB 4.45Å; I698-M735 HydrophobicContact CG2-SD 4.07Å; I698-M735 PolarHBondContact N-O 2.81Å; I698-M735 WeakPolarHBondContact O-CB 3.12Å; I698-M735 PolarHBondContact O-N 2.63Å; L703-M735 HydrophobicContact CD1-CE 4Å; L703-M735 HydrophobicContact CD1-SD 4Å; L703-M735 HydrophobicContact CD2-CE 3.64Å; L703-M735 HydrophobicContact CG-CE 4.47Å; I719-M735 HydrophobicContact CG2-CE 3.39Å; F720-M735 HydrophobicContact CD1-CB 4.46Å; F720-M735 HydrophobicContact CE1-CB 3.59Å; F720-M735 HydrophobicContact CZ-CB 3.95Å; F720-M735 HydrophobicContact CZ-CE 4.49Å; M735-D739 HydrophobicContact CB-CB 4.49Å; M735-D739 HydrophobicContact CG-CB 3.58Å; M735-F740 HydrophobicContact CG-CB 4.26Å; M735-F740 HydrophobicContact SD-CB 3.74Å; M735-F740 HydrophobicContact SD-CD2 3.93Å; M735-F740 HydrophobicContact SD-CG 4.35Å; M735-F743 HydrophobicContact CE-CB 4.02Å; M735-F743 HydrophobicContact CE-CG 4.29Å; M735-F743 HydrophobicContact SD-CB 4.48Å
736	T	94.8	Very high	91	Very high	46 Å²	46	41 Å²	41	28%	0.282	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86	163.9	175	66.7	0	0	0	0	111.4	A729 P738 D739 F740	A729-T736 HydrophobicContact CB-CG2 3.96Å; T736-P738 WeakPolarHBondContact OG1-CD 3.4Å; T736-D739 WeakPolarHBondContact CB-OD2 3.3Å; T736-D739 PolarHBondContact N-OD2 3.17Å; T736-D739 WeakPolarHBondContact O-CA 3.09Å; T736-D739 WeakPolarHBondContact O-CB 3.31Å; T736-D739 PolarHBondContact O-N 3.47Å; T736-D739 PolarHBondContact OG1-OD2 3.24Å; T736-F740 PolarHBondContact O-N 3.48Å
737	Y	95.6	Very high	91.8	Very high	2 Å²	2	35.5 Å²	35.5	1%	0.008	20%	0.196	C	C	.	.	H	α-helix	trans	-48.8	-46.4	175	178.2	-106.4	0	0	0	114.1	R624 A627 T628 F680 Y684 F687 D739 F740 V741	R624-Y737 HydrophobicContact CB-CE1 4.1Å; R624-Y737 VanDerWaalsContact NH1-CB 3.26Å; A627-Y737 HydrophobicContact CB-CD1 4.23Å; A627-Y737 HydrophobicContact CB-CE1 4.3Å; T628-Y737 WeakPolarHBondContact OG1-CE1 3.4Å; T628-Y737 VanDerWaalsContact OG1-CZ 3.28Å; T628-Y737 PolarHBondContact OG1-OH 3.28Å; F680-Y737 WeakPolarHBondContact CE2-OH 3.01Å; Y684-Y737 HydrophobicContact CD2-CE2 4.03Å; F687-Y737 HydrophobicContact CB-CD2 4.04Å; F687-Y737 HydrophobicContact CB-CE2 3.96Å; F687-Y737 AromaticContact CD1-CD2 3.68Å; F687-Y737 HydrophobicContact CD1-CD2 3.68Å; F687-Y737 HydrophobicContact CD1-CE2 4.19Å; F687-Y737 AromaticContact CD2-CD2 3.65Å; F687-Y737 HydrophobicContact CD2-CD2 3.65Å; F687-Y737 HydrophobicContact CD2-CE2 4.41Å; F687-Y737 AromaticContact CE1-CD2 3.96Å; F687-Y737 HydrophobicContact CE1-CD2 3.96Å; F687-Y737 AromaticContact CE2-CD2 3.9Å; F687-Y737 HydrophobicContact CE2-CD2 3.9Å; F687-Y737 HydrophobicContact CE2-CG 4.46Å; F687-Y737 AromaticContact CG-CD2 3.51Å; F687-Y737 HydrophobicContact CG-CD2 3.51Å; F687-Y737 AromaticContact CG-CE2 3.95Å; F687-Y737 HydrophobicContact CG-CE2 3.95Å; F687-Y737 HydrophobicContact CZ-CD2 4.07Å; F687-Y737 HydrophobicContact CZ-CG 4.5Å; Y737-D739 VanDerWaalsContact C-N 3.34Å; Y737-D739 PolarHBondContact O-N 3.1Å; Y737-F740 WeakPolarHBondContact O-CB 3.24Å; Y737-F740 PolarHBondContact O-N 3.1Å; Y737-V741 HydrophobicContact CD1-CG2 4.5Å; Y737-V741 HydrophobicContact CE1-CG2 4.23Å; Y737-V741 VanDerWaalsContact O-CG2 3.31Å; Y737-V741 WeakPolarHBondContact O-CG2 3.45Å; Y737-V741 PolarHBondContact O-N 3.16Å
738	P	95.7	Very high	92.6	Very high	42 Å²	42	34 Å²	34	27%	0.273	18%	0.175	S	C	.	.	H	α-helix	trans	-60.2	-33.7	171.5	-26.9	35.5	0	0	0	115.6	T736 W742	T736-P738 WeakPolarHBondContact OG1-CD 3.4Å; P738-W742 VanDerWaalsContact O-CD1 3.28Å; P738-W742 PolarHBondContact O-N 2.85Å
739	D	96.1	Very high	93.4	Very high	32 Å²	32	30.6 Å²	30.6	17%	0.171	15%	0.153	C	C	.	.	H	α-helix	trans	-69.5	-38.8	173.8	-60.7	-67.6	0	0	0	110.6	T725 M735 T736 Y737 W742 F743	T725-D739 HydrophobicContact CG2-CB 4.41Å; M735-D739 HydrophobicContact CB-CB 4.49Å; M735-D739 HydrophobicContact CG-CB 3.58Å; T736-D739 WeakPolarHBondContact CB-OD2 3.3Å; T736-D739 PolarHBondContact N-OD2 3.17Å; T736-D739 WeakPolarHBondContact O-CA 3.09Å; T736-D739 WeakPolarHBondContact O-CB 3.31Å; T736-D739 PolarHBondContact O-N 3.47Å; T736-D739 PolarHBondContact OG1-OD2 3.24Å; Y737-D739 VanDerWaalsContact C-N 3.34Å; Y737-D739 PolarHBondContact O-N 3.1Å; D739-W742 WeakPolarHBondContact O-CB 3.48Å; D739-W742 PolarHBondContact O-N 3.15Å; D739-W742 VanDerWaalsContact O-N 3.17Å; D739-F743 PolarHBondContact O-N 2.97Å
740	F	97.5	Very high	94.3	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-64	-38.8	174.5	179.8	-95.4	0	0	0	112.5	I683 K686 F687 L690 L703 M735 T736 Y737 W742 F743 L744	I683-F740 HydrophobicContact CG2-CD1 4.46Å; I683-F740 HydrophobicContact CG2-CE1 4.48Å; K686-F740 HydrophobicContact CB-CE1 4.39Å; K686-F740 HydrophobicContact CB-CZ 4.25Å; K686-F740 WeakPolarHBondContact O-CZ 3.49Å; F687-F740 HydrophobicContact CB-CD1 3.8Å; F687-F740 HydrophobicContact CB-CE1 3.7Å; F687-F740 HydrophobicContact CB-CZ 4.42Å; F687-F740 HydrophobicContact CD2-CB 3.8Å; F687-F740 AromaticContact CD2-CD1 3.63Å; F687-F740 HydrophobicContact CD2-CD1 3.63Å; F687-F740 HydrophobicContact CD2-CD2 4.29Å; F687-F740 HydrophobicContact CD2-CE1 4.27Å; F687-F740 AromaticContact CD2-CG 3.64Å; F687-F740 HydrophobicContact CD2-CG 3.64Å; F687-F740 HydrophobicContact CE2-CB 4.11Å; F687-F740 HydrophobicContact CE2-CG 4.39Å; F687-F740 HydrophobicContact CG-CD1 4.2Å; L690-F740 HydrophobicContact CD1-CE2 3.74Å; L690-F740 HydrophobicContact CD1-CZ 4.23Å; L703-F740 HydrophobicContact CD1-CD2 4.32Å; L703-F740 HydrophobicContact CD1-CE2 4.39Å; M735-F740 HydrophobicContact CG-CB 4.26Å; M735-F740 HydrophobicContact SD-CB 3.74Å; M735-F740 HydrophobicContact SD-CD2 3.93Å; M735-F740 HydrophobicContact SD-CG 4.35Å; T736-F740 PolarHBondContact O-N 3.48Å; Y737-F740 WeakPolarHBondContact O-CB 3.24Å; Y737-F740 PolarHBondContact O-N 3.1Å; F740-W742 PolarHBondContact O-N 3.16Å; F740-F743 AromaticContact CD2-CD1 3.84Å; F740-F743 HydrophobicContact CD2-CD1 3.84Å; F740-F743 HydrophobicContact CD2-CE1 4.49Å; F740-F743 AromaticContact CE2-CD1 3.78Å; F740-F743 HydrophobicContact CE2-CD1 3.78Å; F740-F743 HydrophobicContact CE2-CE1 4.03Å; F740-F743 WeakPolarHBondContact O-CB 3.29Å; F740-F743 PolarHBondContact O-N 3.09Å; F740-F743 VanDerWaalsContact O-N 3.15Å; F740-L744 HydrophobicContact CE1-CB 4.25Å; F740-L744 HydrophobicContact CE1-CD2 3.92Å; F740-L744 HydrophobicContact CZ-CB 4.38Å; F740-L744 HydrophobicContact CZ-CD2 4.21Å; F740-L744 PolarHBondContact O-N 2.72Å
741	V	98.1	Very high	94.7	Very high	0 Å²	0	30 Å²	30	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-56.2	-42.2	172.5	176.7	0	0	0	0	110.4	T628 A631 R632 I683 Y737 L745	T628-V741 HydrophobicContact CG2-CG1 4.43Å; T628-V741 WeakPolarHBondContact OG1-CG2 3.49Å; A631-V741 HydrophobicContact CB-CB 3.92Å; A631-V741 HydrophobicContact CB-CG1 3.61Å; A631-V741 HydrophobicContact CB-CG2 4.4Å; R632-V741 HydrophobicContact CG-CG1 4.47Å; I683-V741 HydrophobicContact CD1-CG1 4.43Å; I683-V741 HydrophobicContact CG2-CB 4.4Å; I683-V741 HydrophobicContact CG2-CG2 3.8Å; Y737-V741 HydrophobicContact CD1-CG2 4.5Å; Y737-V741 HydrophobicContact CE1-CG2 4.23Å; Y737-V741 VanDerWaalsContact O-CG2 3.31Å; Y737-V741 WeakPolarHBondContact O-CG2 3.45Å; Y737-V741 PolarHBondContact O-N 3.16Å; V741-L745 HydrophobicContact CG1-CD1 3.82Å; V741-L745 HydrophobicContact CG1-CG 4.47Å; V741-L745 WeakPolarHBondContact O-CB 3.43Å; V741-L745 VanDerWaalsContact O-CD1 3.29Å; V741-L745 WeakPolarHBondContact O-CD1 3.48Å; V741-L745 WeakPolarHBondContact O-CG 3.41Å; V741-L745 PolarHBondContact O-N 3.38Å
742	W	98	Very high	95.4	Very high	36 Å²	36	24 Å²	24	14%	0.136	13%	0.126	C	C	.	.	H	α-helix	trans	-68.8	-39.2	176.3	-82.4	60.7	0	0	0	113.1	A631 F634 F635 W641 P738 D739 F740 A746 Y758	A631-W742 PolarHBondContact O-NE1 3.5Å; F634-W742 VanDerWaalsContact C-CZ2 3.5Å; F634-W742 HydrophobicContact CB-CZ2 3.95Å; F635-W742 HydrophobicContact CB-CD2 4.5Å; F635-W742 HydrophobicContact CB-CZ2 4.3Å; F635-W742 AromaticContact CD2-CD2 3.79Å; F635-W742 HydrophobicContact CD2-CD2 3.79Å; F635-W742 AromaticContact CD2-CE3 3.71Å; F635-W742 HydrophobicContact CD2-CE3 3.71Å; F635-W742 HydrophobicContact CD2-CG 4.19Å; F635-W742 HydrophobicContact CD2-CZ3 4.19Å; F635-W742 HydrophobicContact CE2-CE3 4.34Å; W641-W742 HydrophobicContact CD2-CZ3 4.39Å; W641-W742 HydrophobicContact CE3-CH2 4.47Å; W641-W742 AromaticContact CE3-CZ3 3.87Å; W641-W742 HydrophobicContact CE3-CZ3 3.87Å; W641-W742 HydrophobicContact CH2-CE3 4.04Å; W641-W742 AromaticContact CH2-CZ3 3.72Å; W641-W742 HydrophobicContact CH2-CZ3 3.72Å; W641-W742 HydrophobicContact CZ2-CZ3 4.23Å; W641-W742 AromaticContact CZ3-CE3 3.94Å; W641-W742 HydrophobicContact CZ3-CE3 3.94Å; W641-W742 HydrophobicContact CZ3-CH2 4.49Å; W641-W742 AromaticContact CZ3-CZ3 3.52Å; W641-W742 HydrophobicContact CZ3-CZ3 3.52Å; P738-W742 VanDerWaalsContact O-CD1 3.28Å; P738-W742 PolarHBondContact O-N 2.85Å; D739-W742 WeakPolarHBondContact O-CB 3.48Å; D739-W742 PolarHBondContact O-N 3.15Å; D739-W742 VanDerWaalsContact O-N 3.17Å; F740-W742 PolarHBondContact O-N 3.16Å; W742-A746 VanDerWaalsContact O-CB 3.25Å; W742-A746 WeakPolarHBondContact O-CB 3.44Å; W742-A746 PolarHBondContact O-N 2.88Å; W742-A746 VanDerWaalsContact O-N 3.1Å; W742-Y758 HydrophobicContact CB-CE2 4.38Å
743	F	98.1	Very high	95.8	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-59.2	-53.4	174.9	162.4	-100.3	0	0	0	111.8	L703 H706 I711 I719 M735 D739 F740 L745 A746 E747 Y758 W759	L703-F743 HydrophobicContact CD1-CD1 3.78Å; L703-F743 HydrophobicContact CD1-CD2 4.36Å; L703-F743 HydrophobicContact CD1-CE1 3.57Å; L703-F743 HydrophobicContact CD1-CE2 4.16Å; L703-F743 HydrophobicContact CD1-CG 4.17Å; L703-F743 HydrophobicContact CD1-CZ 3.76Å; L703-F743 HydrophobicContact CD2-CD2 4.49Å; L703-F743 HydrophobicContact CD2-CE2 4.34Å; L703-F743 HydrophobicContact CG-CE2 4.46Å; L703-F743 HydrophobicContact CG-CZ 4.3Å; H706-F743 AromaticContact CD2-CE1 3.65Å; H706-F743 AromaticContact CD2-CZ 3.55Å; H706-F743 AromaticContact CG-CE1 3.99Å; H706-F743 AromaticContact NE2-CE1 3.76Å; H706-F743 AromaticContact NE2-CZ 3.95Å; I711-F743 HydrophobicContact CD1-CE2 3.56Å; I711-F743 HydrophobicContact CD1-CZ 3.67Å; I719-F743 HydrophobicContact CD1-CD2 3.77Å; I719-F743 HydrophobicContact CD1-CE2 3.84Å; M735-F743 HydrophobicContact CE-CB 4.02Å; M735-F743 HydrophobicContact CE-CG 4.29Å; M735-F743 HydrophobicContact SD-CB 4.48Å; D739-F743 PolarHBondContact O-N 2.97Å; F740-F743 AromaticContact CD2-CD1 3.84Å; F740-F743 HydrophobicContact CD2-CD1 3.84Å; F740-F743 HydrophobicContact CD2-CE1 4.49Å; F740-F743 AromaticContact CE2-CD1 3.78Å; F740-F743 HydrophobicContact CE2-CD1 3.78Å; F740-F743 HydrophobicContact CE2-CE1 4.03Å; F740-F743 WeakPolarHBondContact O-CB 3.29Å; F740-F743 PolarHBondContact O-N 3.09Å; F740-F743 VanDerWaalsContact O-N 3.15Å; F743-L745 PolarHBondContact O-N 2.73Å; F743-A746 PolarHBondContact O-N 3.2Å; F743-E747 HydrophobicContact CE2-CB 4.47Å; F743-E747 HydrophobicContact CZ-CB 4.45Å; F743-E747 WeakPolarHBondContact O-CB 3.4Å; F743-E747 PolarHBondContact O-N 3.1Å; F743-Y758 WeakPolarHBondContact CB-OH 3.3Å; F743-W759 HydrophobicContact CD2-CH2 4.23Å; F743-W759 HydrophobicContact CE2-CH2 4.09Å
744	L	98.4	Very high	96.3	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-67.4	-40	-173.8	-171.8	63.5	0	0	0	111.8	I683 K686 F740 A746 E747 E748 W874	I683-L744 HydrophobicContact CB-CD2 4.34Å; I683-L744 HydrophobicContact CG1-CD2 4.13Å; I683-L744 HydrophobicContact CG2-CD2 4.32Å; K686-L744 HydrophobicContact CB-CD2 3.82Å; K686-L744 HydrophobicContact CG-CD2 4.37Å; F740-L744 HydrophobicContact CE1-CB 4.25Å; F740-L744 HydrophobicContact CE1-CD2 3.92Å; F740-L744 HydrophobicContact CZ-CB 4.38Å; F740-L744 HydrophobicContact CZ-CD2 4.21Å; F740-L744 PolarHBondContact O-N 2.72Å; L744-A746 VanDerWaalsContact C-N 3.27Å; L744-A746 PolarHBondContact O-N 2.97Å; L744-E747 PolarHBondContact O-N 3.31Å; L744-E748 HydrophobicContact CD1-CG 4.01Å; L744-E748 PolarHBondContact O-N 3.18Å; L744-W874 HydrophobicContact CD2-CH2 4.46Å; L744-W874 HydrophobicContact CG-CZ3 4.17Å
745	L	98.4	Very high	96.7	Very high	8 Å²	8	19.4 Å²	19.4	4%	0.042	10%	0.103	C	C	.	.	H	α-helix	trans	-60.8	-35.2	171.4	-68.9	168.7	0	0	0	112.4	R632 F635 V741 F743 W874	R632-L745 HydrophobicContact CG-CD1 3.99Å; F635-L745 HydrophobicContact CB-CD1 4.22Å; F635-L745 HydrophobicContact CD1-CB 4.37Å; F635-L745 HydrophobicContact CD1-CD1 4.04Å; F635-L745 HydrophobicContact CD2-CB 4.33Å; F635-L745 HydrophobicContact CD2-CD1 4.19Å; F635-L745 HydrophobicContact CE1-CB 3.87Å; F635-L745 HydrophobicContact CE1-CD1 4.38Å; F635-L745 HydrophobicContact CE2-CB 3.87Å; F635-L745 HydrophobicContact CG-CD1 3.92Å; F635-L745 HydrophobicContact CZ-CB 3.61Å; V741-L745 HydrophobicContact CG1-CD1 3.82Å; V741-L745 HydrophobicContact CG1-CG 4.47Å; V741-L745 WeakPolarHBondContact O-CB 3.43Å; V741-L745 VanDerWaalsContact O-CD1 3.29Å; V741-L745 WeakPolarHBondContact O-CD1 3.48Å; V741-L745 WeakPolarHBondContact O-CG 3.41Å; V741-L745 PolarHBondContact O-N 3.38Å; F743-L745 PolarHBondContact O-N 2.73Å; L745-W874 HydrophobicContact CD2-CD2 3.63Å; L745-W874 HydrophobicContact CD2-CE3 3.81Å; L745-W874 HydrophobicContact CD2-CG 4.18Å; L745-W874 HydrophobicContact CD2-CH2 4.31Å; L745-W874 HydrophobicContact CD2-CZ2 4.14Å; L745-W874 HydrophobicContact CD2-CZ3 4.15Å
746	A	98.2	Very high	96.8	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-78.7	-31.9	179.4	0	0	0	0	0	113.3	F635 W742 F743 L744 K750 Y758 W759	F635-A746 HydrophobicContact CE2-CB 4.47Å; W742-A746 VanDerWaalsContact O-CB 3.25Å; W742-A746 WeakPolarHBondContact O-CB 3.44Å; W742-A746 PolarHBondContact O-N 2.88Å; W742-A746 VanDerWaalsContact O-N 3.1Å; F743-A746 PolarHBondContact O-N 3.2Å; L744-A746 VanDerWaalsContact C-N 3.27Å; L744-A746 PolarHBondContact O-N 2.97Å; A746-K750 WeakPolarHBondContact O-CG 3.33Å; A746-Y758 HydrophobicContact CB-CD1 3.78Å; A746-Y758 HydrophobicContact CB-CD2 4Å; A746-Y758 HydrophobicContact CB-CE1 4.25Å; A746-Y758 HydrophobicContact CB-CE2 4.45Å; A746-Y758 HydrophobicContact CB-CG 3.66Å; A746-W759 HydrophobicContact CB-CZ2 4.34Å; A746-W759 PolarHBondContact O-NE1 3.4Å
747	E	97.8	Very high	97	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-76.5	-42.2	-177.5	175.2	45.3	-138.4	0	0	113	I711 F743 L744 K750 W759 N836 K839	I711-E747 HydrophobicContact CD1-CG 4.1Å; F743-E747 HydrophobicContact CE2-CB 4.47Å; F743-E747 HydrophobicContact CZ-CB 4.45Å; F743-E747 WeakPolarHBondContact O-CB 3.4Å; F743-E747 PolarHBondContact O-N 3.1Å; L744-E747 PolarHBondContact O-N 3.31Å; E747-K750 PolarHBondContact O-NZ 3.39Å; E747-K750 IonicContact OE1-NZ 2.67Å; E747-K750 PolarHBondContact OE1-NZ 3.48Å; E747-K750 WeakPolarHBondContact OE2-CE 3.38Å; E747-K750 IonicContact OE2-NZ 2.74Å; E747-K750 PolarHBondContact OE2-NZ 2.89Å; E747-W759 HydrophobicContact CB-CZ2 3.98Å; E747-W759 WeakPolarHBondContact OE2-CZ2 3.39Å; E747-N836 PolarHBondContact OE1-ND2 3.21Å; E747-K839 PolarHBondContact O-NZ 3.07Å; E747-K839 IonicContact OE1-NZ 3.93Å; E747-K839 PolarHBondContact OE1-NZ 3.38Å
748	E	97.2	Very high	97.1	Very high	24 Å²	24	18.9 Å²	18.9	11%	0.112	10%	0.097	C	C	.	.	H	α-helix	trans	-85.3	-32.6	-174.9	-53.3	-63.4	-174.5	0	0	112.8	N707 L744 K839 W874 Y877	N707-E748 PolarHBondContact ND2-OE1 3.21Å; L744-E748 HydrophobicContact CD1-CG 4.01Å; L744-E748 PolarHBondContact O-N 3.18Å; E748-K839 IonicContact OE2-NZ 3.98Å; E748-K839 PolarHBondContact OE2-NZ 3.11Å; E748-W874 HydrophobicContact CB-CE3 4.34Å; E748-Y877 HydrophobicContact CB-CD1 4.21Å; E748-Y877 HydrophobicContact CB-CD2 4.23Å; E748-Y877 HydrophobicContact CB-CG 4.02Å; E748-Y877 HydrophobicContact CG-CD1 4.01Å; E748-Y877 HydrophobicContact CG-CD2 3.95Å; E748-Y877 HydrophobicContact CG-CE1 3.89Å; E748-Y877 HydrophobicContact CG-CE2 3.79Å; E748-Y877 HydrophobicContact CG-CG 4.04Å; E748-Y877 VanDerWaalsContact OE1-CE2 3.28Å; E748-Y877 WeakPolarHBondContact OE1-CE2 3.39Å; E748-Y877 PolarHBondContact OE1-OH 3Å
749	D	96.4	Very high	97.3	Very high	15 Å²	15	16.9 Å²	16.9	8%	0.08	8%	0.084	C	C	.	.			trans	-113.3	88.6	166.9	-172.1	-22	0	0	0	111.1	H751 H752 S755 D873 W874	D749-H751 VanDerWaalsContact C-N 3.3Å; D749-H751 WeakPolarHBondContact OD1-CA 3.31Å; D749-H751 VanDerWaalsContact OD1-CB 3.32Å; D749-H751 WeakPolarHBondContact OD1-CB 3.48Å; D749-H751 PolarHBondContact OD1-N 2.77Å; D749-H752 HydrophobicContact CB-CB 4.44Å; D749-H752 PolarHBondContact OD1-N 3.3Å; D749-S755 WeakPolarHBondContact O-CB 3.5Å; D749-S755 PolarHBondContact O-OG 3.43Å; D749-D873 HydrophobicContact CB-CB 4.32Å; D749-W874 HydrophobicContact CB-CB 3.99Å
750	K	96.3	Very high	97.4	Very high	7 Å²	7	15.6 Å²	15.6	3%	0.03	8%	0.077	C	C	.	.	S	Bend	trans	-78	-9.2	172.8	-64.4	-162	-179.7	73.1	0	114.1	A746 E747 I756 H828 F831 D832	A746-K750 WeakPolarHBondContact O-CG 3.33Å; E747-K750 PolarHBondContact O-NZ 3.39Å; E747-K750 IonicContact OE1-NZ 2.67Å; E747-K750 PolarHBondContact OE1-NZ 3.48Å; E747-K750 WeakPolarHBondContact OE2-CE 3.38Å; E747-K750 IonicContact OE2-NZ 2.74Å; E747-K750 PolarHBondContact OE2-NZ 2.89Å; K750-I756 WeakPolarHBondContact O-CG1 3.03Å; K750-H828 HydrophobicContact CB-CB 3.79Å; K750-F831 HydrophobicContact CB-CD2 4.48Å; K750-F831 HydrophobicContact CD-CB 3.71Å; K750-F831 HydrophobicContact CD-CD2 4.3Å; K750-F831 HydrophobicContact CD-CG 4.43Å; K750-D832 VanDerWaalsContact CE-OD1 3.28Å; K750-D832 WeakPolarHBondContact CE-OD1 3.45Å; K750-D832 IonicContact NZ-OD1 2.74Å; K750-D832 PolarHBondContact NZ-OD1 2.95Å
751	H	93.1	Very high	97.4	Very high	77 Å²	77	19 Å²	19	36%	0.356	9%	0.09	S	C	.	.	S	Bend	trans	-76.3	-32.8	174.7	-74.2	110.3	0	0	0	112.1	D749 I756 H828 D873	D749-H751 VanDerWaalsContact C-N 3.3Å; D749-H751 WeakPolarHBondContact OD1-CA 3.31Å; D749-H751 VanDerWaalsContact OD1-CB 3.32Å; D749-H751 WeakPolarHBondContact OD1-CB 3.48Å; D749-H751 PolarHBondContact OD1-N 2.77Å; H751-I756 WeakPolarHBondContact O-CD1 3.19Å; H751-H828 AromaticContact CD2-ND1 3.53Å; H751-H828 AromaticContact CE1-CE1 3.52Å; H751-H828 AromaticContact CE1-CG 3.79Å; H751-H828 AromaticContact CE1-ND1 3.31Å; H751-H828 PolarHBondContact CE1-ND1 3.27Å; H751-H828 VanDerWaalsContact CE1-ND1 3.31Å; H751-H828 AromaticContact NE2-CE1 3.11Å; H751-H828 PolarHBondContact NE2-CE1 3.4Å; H751-H828 AromaticContact NE2-CG 3.78Å; H751-H828 AromaticContact NE2-ND1 2.87Å; H751-H828 PolarHBondContact NE2-ND1 2.99Å; H751-D873 IonicContact CE1-OD2 3.39Å; H751-D873 PolarHBondContact CE1-OD2 3.35Å; H751-D873 IonicContact CG-OD2 3.12Å; H751-D873 IonicContact ND1-OD2 2.76Å; H751-D873 PolarHBondContact ND1-OD2 2.89Å
752	H	95.1	Very high	97.4	Very high	47 Å²	47	19 Å²	19	22%	0.218	9%	0.09	C	C	.	.	S	Bend	trans	-60	133.4	-173.9	-175.8	-116.4	0	0	0	111.2	F635 N636 D749 R754 S755 I756	F635-H752 AromaticContact CD1-CE1 3.84Å; F635-H752 AromaticContact CD1-ND1 3.89Å; F635-H752 AromaticContact CE1-CE1 3.59Å; F635-H752 AromaticContact CE1-ND1 3.16Å; F635-H752 WeakPolarHBondContact CE1-ND1 3.25Å; F635-H752 AromaticContact CZ-ND1 3.81Å; N636-H752 PolarHBondContact OD1-CE1 3.1Å; N636-H752 PolarHBondContact OD1-NE2 3.5Å; D749-H752 HydrophobicContact CB-CB 4.44Å; D749-H752 PolarHBondContact OD1-N 3.3Å; H752-R754 WeakPolarHBondContact CE1-CG 3.49Å; H752-R754 PolarHBondContact O-N 3.31Å; H752-S755 WeakPolarHBondContact O-CB 3.2Å; H752-S755 PolarHBondContact O-N 3.05Å; H752-I756 PolarHBondContact O-N 3.23Å
753	P	95.8	Very high	97.4	Very high	67 Å²	67	17.3 Å²	17.3	44%	0.435	8%	0.084	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-8.4	-170.2	-28	36.6	0	0	0	116.3	E757 K822	P753-E757 WeakPolarHBondContact O-CG 3.15Å; P753-K822 WeakPolarHBondContact O-CE 3.49Å; P753-K822 PolarHBondContact O-NZ 3.28Å
754	R	96.8	Very high	97.4	Very high	5 Å²	5	18.1 Å²	18.1	2%	0.019	9%	0.088	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.9	-33	179.5	-55.3	-70.3	-72.3	152.3	-2.9	111.5	F635 N638 I639 H752 E757 Y758	F635-R754 HydrophobicContact CE1-CB 4.27Å; F635-R754 HydrophobicContact CE2-CB 4.27Å; F635-R754 HydrophobicContact CZ-CB 4.13Å; F635-R754 WeakPolarHBondContact O-CG 3.16Å; F635-R754 PolarHBondContact O-NE 3.44Å; F635-R754 PolarHBondContact O-NH2 3.26Å; N638-R754 PolarHBondContact O-NH1 2.8Å; N638-R754 PolarHBondContact O-NH2 2.88Å; I639-R754 PolarHBondContact O-NH1 3.33Å; H752-R754 WeakPolarHBondContact CE1-CG 3.49Å; H752-R754 PolarHBondContact O-N 3.31Å; R754-E757 IonicContact CZ-OE2 2.62Å; R754-E757 IonicContact NE-OE2 3.64Å; R754-E757 IonicContact NH1-OE2 2.66Å; R754-E757 PolarHBondContact NH1-OE2 2.67Å; R754-E757 CarbonylContact O-C 3.33Å; R754-E757 WeakPolarHBondContact O-CB 3.34Å; R754-E757 PolarHBondContact O-N 3.47Å; R754-Y758 WeakPolarHBondContact O-CB 3.49Å; R754-Y758 PolarHBondContact O-N 2.66Å
755	S	98.1	Very high	97.4	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-67.1	-40.9	169.6	-42.2	0	0	0	0	110.9	D749 H752 E757 Y758 W759	D749-S755 WeakPolarHBondContact O-CB 3.5Å; D749-S755 PolarHBondContact O-OG 3.43Å; H752-S755 WeakPolarHBondContact O-CB 3.2Å; H752-S755 PolarHBondContact O-N 3.05Å; S755-E757 PolarHBondContact O-N 3.26Å; S755-Y758 WeakPolarHBondContact O-CB 3.17Å; S755-Y758 PolarHBondContact O-N 2.89Å; S755-Y758 VanDerWaalsContact O-N 3.1Å; S755-W759 PolarHBondContact O-N 3.27Å
756	I	98.1	Very high	97.3	Very high	8 Å²	8	25.7 Å²	25.7	4%	0.041	13%	0.128	C	C	.	.	H	α-helix	trans	-58.2	-39.8	171.1	-55.2	174.9	0	0	0	110.7	K750 H751 H752 F760 L818 M821 K822 C827 F831	K750-I756 WeakPolarHBondContact O-CG1 3.03Å; H751-I756 WeakPolarHBondContact O-CD1 3.19Å; H752-I756 PolarHBondContact O-N 3.23Å; I756-F760 WeakPolarHBondContact O-CB 3.36Å; I756-F760 PolarHBondContact O-N 3.12Å; I756-L818 HydrophobicContact CG2-CD1 3.99Å; I756-M821 HydrophobicContact CG2-CB 3.66Å; I756-K822 HydrophobicContact CB-CG 4.44Å; I756-K822 HydrophobicContact CD1-CG 4.2Å; I756-K822 HydrophobicContact CG2-CG 3.92Å; I756-C827 VanDerWaalsContact CD1-SG 3.54Å; I756-F831 HydrophobicContact CB-CE2 4.32Å; I756-F831 HydrophobicContact CG1-CE2 4.33Å; I756-F831 HydrophobicContact CG2-CE2 4.13Å; I756-F831 HydrophobicContact CG2-CZ 4.07Å
757	E	98.2	Very high	97.2	Very high	24 Å²	24	28.4 Å²	28.4	11%	0.112	16%	0.156	C	C	.	.	H	α-helix	trans	-71.4	-34.7	174.9	-72.9	170.8	171.5	0	0	113.1	W641 P753 R754 S755 R761 L818 K822	W641-E757 HydrophobicContact CZ2-CB 3.68Å; W641-E757 PolarHBondContact NE1-OE2 2.86Å; P753-E757 WeakPolarHBondContact O-CG 3.15Å; R754-E757 IonicContact CZ-OE2 2.62Å; R754-E757 IonicContact NE-OE2 3.64Å; R754-E757 IonicContact NH1-OE2 2.66Å; R754-E757 PolarHBondContact NH1-OE2 2.67Å; R754-E757 CarbonylContact O-C 3.33Å; R754-E757 WeakPolarHBondContact O-CB 3.34Å; R754-E757 PolarHBondContact O-N 3.47Å; S755-E757 PolarHBondContact O-N 3.26Å; E757-R761 VanDerWaalsContact O-CB 3.31Å; E757-R761 WeakPolarHBondContact O-CB 3.3Å; E757-R761 VanDerWaalsContact O-CD 3.3Å; E757-R761 WeakPolarHBondContact O-CD 3.15Å; E757-R761 WeakPolarHBondContact O-CG 3.12Å; E757-R761 PolarHBondContact O-N 3.45Å; E757-R761 VanDerWaalsContact O-N 3.17Å; E757-L818 HydrophobicContact CG-CD1 3.97Å; E757-L818 HydrophobicContact CG-CD2 3.96Å; E757-K822 IonicContact OE1-NZ 2.9Å; E757-K822 PolarHBondContact OE1-NZ 2.93Å
758	Y	98.4	Very high	97.2	Very high	5 Å²	5	33.2 Å²	33.2	2%	0.02	18%	0.182	C	C	.	.	H	α-helix	trans	-62.8	-57.3	176.6	-174.6	-78.4	0	0	0	109.9	W641 I719 V724 W742 F743 A746 R754 S755 R761 C762	W641-Y758 HydrophobicContact CH2-CD2 4.1Å; I719-Y758 HydrophobicContact CG1-CE1 4.3Å; I719-Y758 WeakPolarHBondContact CG2-OH 3.27Å; V724-Y758 HydrophobicContact CB-CD2 3.97Å; V724-Y758 HydrophobicContact CB-CE2 3.66Å; V724-Y758 HydrophobicContact CG1-CD1 4.13Å; V724-Y758 HydrophobicContact CG1-CD2 3.63Å; V724-Y758 HydrophobicContact CG1-CE1 4.29Å; V724-Y758 HydrophobicContact CG1-CE2 3.81Å; V724-Y758 HydrophobicContact CG1-CG 3.79Å; V724-Y758 HydrophobicContact CG2-CE1 4.22Å; V724-Y758 HydrophobicContact CG2-CE2 3.82Å; W742-Y758 HydrophobicContact CB-CE2 4.38Å; F743-Y758 WeakPolarHBondContact CB-OH 3.3Å; A746-Y758 HydrophobicContact CB-CD1 3.78Å; A746-Y758 HydrophobicContact CB-CD2 4Å; A746-Y758 HydrophobicContact CB-CE1 4.25Å; A746-Y758 HydrophobicContact CB-CE2 4.45Å; A746-Y758 HydrophobicContact CB-CG 3.66Å; R754-Y758 WeakPolarHBondContact O-CB 3.49Å; R754-Y758 PolarHBondContact O-N 2.66Å; S755-Y758 WeakPolarHBondContact O-CB 3.17Å; S755-Y758 PolarHBondContact O-N 2.89Å; S755-Y758 VanDerWaalsContact O-N 3.1Å; Y758-R761 PolarHBondContact O-N 2.94Å; Y758-C762 PolarHBondContact O-N 3.49Å; Y758-C762 VanDerWaalsContact O-N 3.1Å; Y758-C762 PolarHBondContact O-SG 3.02Å
759	W	98.6	Very high	97.1	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-68.7	-38.9	-177.4	-63	121.3	0	0	0	113.2	I711 M715 I719 F743 A746 E747 S755 R761 C762 M763 F831 F835	I711-W759 HydrophobicContact CD1-CH2 4.23Å; M715-W759 HydrophobicContact CG-CE3 4.26Å; M715-W759 HydrophobicContact CG-CZ3 3.77Å; M715-W759 HydrophobicContact SD-CE3 3.79Å; M715-W759 HydrophobicContact SD-CZ3 3.76Å; I719-W759 HydrophobicContact CD1-CH2 4.13Å; I719-W759 HydrophobicContact CD1-CZ3 4.04Å; I719-W759 HydrophobicContact CG1-CZ3 4.39Å; F743-W759 HydrophobicContact CD2-CH2 4.23Å; F743-W759 HydrophobicContact CE2-CH2 4.09Å; A746-W759 HydrophobicContact CB-CZ2 4.34Å; A746-W759 PolarHBondContact O-NE1 3.4Å; E747-W759 HydrophobicContact CB-CZ2 3.98Å; E747-W759 WeakPolarHBondContact OE2-CZ2 3.39Å; S755-W759 PolarHBondContact O-N 3.27Å; W759-R761 VanDerWaalsContact C-N 3.31Å; W759-R761 PolarHBondContact O-N 2.97Å; W759-C762 PolarHBondContact O-N 3.38Å; W759-C762 VanDerWaalsContact O-N 3.16Å; W759-M763 WeakPolarHBondContact O-CG 3.49Å; W759-M763 PolarHBondContact O-N 2.91Å; W759-F831 HydrophobicContact CB-CD1 3.7Å; W759-F831 HydrophobicContact CB-CD2 4.19Å; W759-F831 HydrophobicContact CB-CE1 3.59Å; W759-F831 HydrophobicContact CB-CE2 4.11Å; W759-F831 HydrophobicContact CB-CG 4.01Å; W759-F831 HydrophobicContact CB-CZ 3.81Å; W759-F831 HydrophobicContact CG-CG 4.44Å; W759-F835 HydrophobicContact CB-CE1 4.34Å; W759-F835 HydrophobicContact CB-CZ 4.1Å; W759-F835 HydrophobicContact CD2-CE1 4.26Å; W759-F835 AromaticContact CD2-CE2 3.86Å; W759-F835 HydrophobicContact CD2-CE2 3.86Å; W759-F835 AromaticContact CD2-CZ 3.34Å; W759-F835 HydrophobicContact CD2-CZ 3.34Å; W759-F835 AromaticContact CE2-CZ 3.96Å; W759-F835 HydrophobicContact CE3-CE1 4.08Å; W759-F835 AromaticContact CE3-CE2 3.67Å; W759-F835 HydrophobicContact CE3-CE2 3.67Å; W759-F835 AromaticContact CE3-CZ 3.36Å; W759-F835 HydrophobicContact CE3-CZ 3.36Å; W759-F835 HydrophobicContact CG-CE1 4.37Å; W759-F835 AromaticContact CG-CZ 3.66Å; W759-F835 HydrophobicContact CG-CZ 3.66Å; W759-F835 HydrophobicContact CH2-CE2 4.08Å; W759-F835 HydrophobicContact CZ2-CE2 4.25Å; W759-F835 HydrophobicContact CZ3-CD2 4.49Å; W759-F835 AromaticContact CZ3-CE2 3.78Å; W759-F835 HydrophobicContact CZ3-CE2 3.78Å; W759-F835 AromaticContact CZ3-CZ 3.99Å; W759-F835 HydrophobicContact CZ3-CZ 3.99Å
760	F	98.4	Very high	97.1	Very high	4 Å²	4	34.1 Å²	34.1	2%	0.018	20%	0.195	C	C	.	.	H	α-helix	trans	-58.8	-43.7	173.8	-169.1	-80.7	0	0	0	111.3	I756 C762 M763 D764 G769 L771 R817 L818 M821	I756-F760 WeakPolarHBondContact O-CB 3.36Å; I756-F760 PolarHBondContact O-N 3.12Å; F760-C762 VanDerWaalsContact C-N 3.29Å; F760-C762 PolarHBondContact O-N 3.44Å; F760-M763 PolarHBondContact O-N 3.02Å; F760-M763 VanDerWaalsContact O-N 3.17Å; F760-D764 HydrophobicContact CD1-CB 4.18Å; F760-D764 HydrophobicContact CE1-CB 4Å; F760-D764 WeakPolarHBondContact O-CB 3.46Å; F760-D764 PolarHBondContact O-N 3.02Å; F760-G769 WeakPolarHBondContact CZ-O 3.44Å; F760-L771 HydrophobicContact CD2-CD1 4.19Å; F760-L771 HydrophobicContact CD2-CD2 4.43Å; F760-L771 HydrophobicContact CD2-CG 4.15Å; F760-L771 HydrophobicContact CE2-CD1 4.05Å; F760-L771 HydrophobicContact CE2-CD2 4.12Å; F760-L771 HydrophobicContact CE2-CG 3.62Å; F760-L771 HydrophobicContact CZ-CD2 4.16Å; F760-L771 HydrophobicContact CZ-CG 3.98Å; F760-R817 VanDerWaalsContact CE2-C 3.41Å; F760-L818 HydrophobicContact CB-CD1 3.89Å; F760-L818 HydrophobicContact CD1-CB 3.99Å; F760-L818 HydrophobicContact CD2-CB 4.08Å; F760-L818 HydrophobicContact CD2-CD1 4.4Å; F760-L818 HydrophobicContact CE1-CB 4.09Å; F760-L818 HydrophobicContact CE2-CB 4.16Å; F760-L818 HydrophobicContact CG-CB 4Å; F760-L818 HydrophobicContact CG-CD1 4.02Å; F760-L818 HydrophobicContact CZ-CB 4.17Å; F760-L818 VanDerWaalsContact CZ-N 3.31Å; F760-M821 HydrophobicContact CD2-CG 3.98Å; F760-M821 HydrophobicContact CE2-CG 4.37Å
761	R	98.1	Very high	97.2	Very high	72 Å²	72	33.9 Å²	33.9	27%	0.272	19%	0.194	S	C	.	.	H	α-helix	trans	-71	-22.6	179.3	-67.4	172.3	74.3	-100.2	-20.6	113.2	R718 A723 E757 Y758 W759	R718-R761 PolarHBondContact NH2-O 3.02Å; A723-R761 WeakPolarHBondContact CB-O 3.46Å; A723-R761 PolarHBondContact O-NH1 3.4Å; A723-R761 PolarHBondContact O-NH2 3.02Å; E757-R761 VanDerWaalsContact O-CB 3.31Å; E757-R761 WeakPolarHBondContact O-CB 3.3Å; E757-R761 VanDerWaalsContact O-CD 3.3Å; E757-R761 WeakPolarHBondContact O-CD 3.15Å; E757-R761 WeakPolarHBondContact O-CG 3.12Å; E757-R761 PolarHBondContact O-N 3.45Å; E757-R761 VanDerWaalsContact O-N 3.17Å; Y758-R761 PolarHBondContact O-N 2.94Å; W759-R761 VanDerWaalsContact C-N 3.31Å; W759-R761 PolarHBondContact O-N 2.97Å
762	C	98.4	Very high	97.2	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-76.4	-37.8	168.2	-68	0	0	0	0	112.3	M715 R718 Y758 W759 F760	M715-C762 HydrophobicContact CE-CB 4.1Å; M715-C762 HydrophobicContact SD-CB 3.43Å; M715-C762 WeakPolarHBondContact SD-CB 3.5Å; R718-C762 HydrophobicContact CB-CB 4.12Å; R718-C762 WeakPolarHBondContact CG-O 3.33Å; R718-C762 PolarHBondContact NE-O 2.93Å; R718-C762 PolarHBondContact NH2-O 3.04Å; Y758-C762 PolarHBondContact O-N 3.49Å; Y758-C762 VanDerWaalsContact O-N 3.1Å; Y758-C762 PolarHBondContact O-SG 3.02Å; W759-C762 PolarHBondContact O-N 3.38Å; W759-C762 VanDerWaalsContact O-N 3.16Å; F760-C762 VanDerWaalsContact C-N 3.29Å; F760-C762 PolarHBondContact O-N 3.44Å
763	M	98.4	Very high	97.2	Very high	1 Å²	1	34.2 Å²	34.2	1%	0.005	20%	0.201	C	C	.	.	H	α-helix	trans	-78	-33.2	-179.5	-69.1	-173.8	77.2	0	0	114.6	M715 W759 F760 L765 L771 L776 F779 F830 F831 F834 F835	M715-M763 HydrophobicContact CE-CG 3.56Å; W759-M763 WeakPolarHBondContact O-CG 3.49Å; W759-M763 PolarHBondContact O-N 2.91Å; F760-M763 PolarHBondContact O-N 3.02Å; F760-M763 VanDerWaalsContact O-N 3.17Å; M763-L765 PolarHBondContact O-N 3.25Å; M763-L771 HydrophobicContact CB-CD1 4.17Å; M763-L771 HydrophobicContact CB-CD2 3.59Å; M763-L771 HydrophobicContact CE-CD1 4.25Å; M763-L771 HydrophobicContact SD-CD1 4.24Å; M763-L776 HydrophobicContact CE-CD2 3.76Å; M763-F779 HydrophobicContact CB-CD2 4.49Å; M763-F779 HydrophobicContact CB-CE2 3.95Å; M763-F779 HydrophobicContact CE-CD2 3.94Å; M763-F779 HydrophobicContact CG-CD2 4.25Å; M763-F779 HydrophobicContact CG-CE2 4.01Å; M763-F779 HydrophobicContact CG-CZ 4.42Å; M763-F779 WeakPolarHBondContact O-CE2 3.49Å; M763-F830 HydrophobicContact CE-CE1 3.91Å; M763-F830 HydrophobicContact SD-CE1 4.06Å; M763-F831 HydrophobicContact SD-CD1 3.76Å; M763-F831 HydrophobicContact SD-CE1 4.03Å; M763-F834 HydrophobicContact CE-CB 3.63Å; M763-F834 HydrophobicContact CE-CD1 4.42Å; M763-F834 HydrophobicContact CE-CD2 3.94Å; M763-F834 HydrophobicContact CE-CG 3.73Å; M763-F835 HydrophobicContact SD-CD1 4.39Å; M763-F835 HydrophobicContact SD-CE1 4.19Å
764	D	98	Very high	97.2	Very high	16 Å²	16	38.5 Å²	38.5	9%	0.086	21%	0.21	C	C	.	.			trans	-68.2	91.9	173	178.6	-7.1	0	0	0	108.7	R718 F760 G767 D768 G769 L771	R718-D764 PolarHBondContact NH2-O 3.39Å; F760-D764 HydrophobicContact CD1-CB 4.18Å; F760-D764 HydrophobicContact CE1-CB 4Å; F760-D764 WeakPolarHBondContact O-CB 3.46Å; F760-D764 PolarHBondContact O-N 3.02Å; D764-G767 WeakPolarHBondContact OD1-CA 3.28Å; D764-G767 PolarHBondContact OD1-N 3.28Å; D764-D768 PolarHBondContact OD1-N 3.01Å; D764-G769 VanDerWaalsContact OD2-CA 3.28Å; D764-G769 WeakPolarHBondContact OD2-CA 3.49Å; D764-G769 PolarHBondContact OD2-N 3.27Å; D764-G769 VanDerWaalsContact OD2-N 3.13Å; D764-L771 HydrophobicContact CB-CD2 4.13Å
765	L	97.4	Very high	97.3	Very high	42 Å²	42	38.5 Å²	38.5	22%	0.22	21%	0.21	C	C	.	.	S	Bend	trans	-71.9	-40.9	-166.5	-67.4	-173.9	0	0	0	111.9	R718 M763 Y774 E775 Y778 F779	R718-L765 HydrophobicContact CG-CD2 4.13Å; R718-L765 PolarHBondContact NH1-O 2.97Å; M763-L765 PolarHBondContact O-N 3.25Å; L765-Y774 HydrophobicContact CD1-CE1 4.49Å; L765-E775 HydrophobicContact CB-CG 4.06Å; L765-E775 HydrophobicContact CD1-CB 4.3Å; L765-E775 HydrophobicContact CD1-CG 3.84Å; L765-E775 HydrophobicContact CG-CB 4.26Å; L765-E775 HydrophobicContact CG-CG 3.81Å; L765-E775 PolarHBondContact N-OE1 3.39Å; L765-Y778 HydrophobicContact CD1-CD1 3.7Å; L765-Y778 HydrophobicContact CD1-CE1 4.16Å; L765-Y778 HydrophobicContact CD1-CG 3.96Å; L765-Y778 HydrophobicContact CD2-CD1 4.26Å; L765-Y778 HydrophobicContact CD2-CE1 4.17Å; L765-F779 HydrophobicContact CD2-CE2 3.95Å; L765-F779 HydrophobicContact CD2-CZ 3.65Å; L765-F779 HydrophobicContact CG-CE2 4.35Å
766	D	96.7	Very high	97.2	Very high	126 Å²	126	38.7 Å²	38.7	67%	0.674	21%	0.211	S	C	*	.	S	Bend	trans	-98.8	-15.4	-175.9	75.9	15	0	0	0	114.7	D768	D766-D768 WeakPolarHBondContact OD1-CB 3.19Å; D766-D768 PolarHBondContact OD1-N 3.21Å
767	G	96.5	Very high	97.2	Very high	57 Å²	57	43 Å²	43	59%	0.588	23%	0.231	S	C	*	.	S	Bend	trans	90.9	16.5	175	0	0	0	0	0	115.1	D764 G769	D764-G767 WeakPolarHBondContact OD1-CA 3.28Å; D764-G767 PolarHBondContact OD1-N 3.28Å; G767-G769 VanDerWaalsContact C-N 3.29Å; G767-G769 PolarHBondContact O-N 3.12Å
768	D	96.6	Very high	97.2	Very high	100 Å²	100	45.2 Å²	45.2	54%	0.535	24%	0.239	S	C	.	.	S	Bend	trans	-74.5	-13.8	179.9	105.4	-24.6	0	0	0	114.5	D764 D766 L770	D764-D768 PolarHBondContact OD1-N 3.01Å; D766-D768 WeakPolarHBondContact OD1-CB 3.19Å; D766-D768 PolarHBondContact OD1-N 3.21Å; D768-L770 WeakPolarHBondContact OD1-CA 3.12Å; D768-L770 WeakPolarHBondContact OD1-CB 3.41Å; D768-L770 WeakPolarHBondContact OD1-CG 3.09Å; D768-L770 PolarHBondContact OD1-N 3.07Å
769	G	96.6	Very high	97.2	Very high	31 Å²	31	45 Å²	45	32%	0.32	24%	0.238	S	C	.	.	S	Bend	trans	91.9	9.3	179.3	0	0	0	0	0	115	F760 D764 G767	F760-G769 WeakPolarHBondContact CZ-O 3.44Å; D764-G769 VanDerWaalsContact OD2-CA 3.28Å; D764-G769 WeakPolarHBondContact OD2-CA 3.49Å; D764-G769 PolarHBondContact OD2-N 3.27Å; D764-G769 VanDerWaalsContact OD2-N 3.13Å; G767-G769 VanDerWaalsContact C-N 3.29Å; G767-G769 PolarHBondContact O-N 3.12Å
770	L	96.6	Very high	97.1	Very high	28 Å²	28	45 Å²	45	15%	0.147	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	164.4	172.5	-49.1	177.7	0	0	0	110.3	D768 K815 I816 R817	D768-L770 WeakPolarHBondContact OD1-CA 3.12Å; D768-L770 WeakPolarHBondContact OD1-CB 3.41Å; D768-L770 WeakPolarHBondContact OD1-CG 3.09Å; D768-L770 PolarHBondContact OD1-N 3.07Å; L770-K815 HydrophobicContact CD1-CB 4.35Å; L770-K815 HydrophobicContact CD1-CD 3.92Å; L770-K815 HydrophobicContact CD1-CG 4.07Å; L770-I816 CarbonylContact C-O 3.6Å; L770-I816 WeakPolarHBondContact CA-O 3.22Å; L770-R817 HydrophobicContact CD2-CG 3.55Å
771	L	97.2	Very high	97.1	Very high	2 Å²	2	46.9 Å²	46.9	1%	0.01	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	119.5	154.7	-54.1	-178.6	0	0	0	108	F760 M763 D764 L776 I816 M821 F830	F760-L771 HydrophobicContact CD2-CD1 4.19Å; F760-L771 HydrophobicContact CD2-CD2 4.43Å; F760-L771 HydrophobicContact CD2-CG 4.15Å; F760-L771 HydrophobicContact CE2-CD1 4.05Å; F760-L771 HydrophobicContact CE2-CD2 4.12Å; F760-L771 HydrophobicContact CE2-CG 3.62Å; F760-L771 HydrophobicContact CZ-CD2 4.16Å; F760-L771 HydrophobicContact CZ-CG 3.98Å; M763-L771 HydrophobicContact CB-CD1 4.17Å; M763-L771 HydrophobicContact CB-CD2 3.59Å; M763-L771 HydrophobicContact CE-CD1 4.25Å; M763-L771 HydrophobicContact SD-CD1 4.24Å; D764-L771 HydrophobicContact CB-CD2 4.13Å; L771-L776 HydrophobicContact CB-CD2 4.08Å; L771-L776 HydrophobicContact CD1-CD2 4.1Å; L771-I816 HydrophobicContact CB-CB 4.44Å; L771-I816 PolarHBondContact N-O 3.39Å; L771-I816 PolarHBondContact O-N 3.42Å; L771-M821 HydrophobicContact CD1-CE 3.68Å; L771-F830 HydrophobicContact CD1-CE1 4Å; L771-F830 HydrophobicContact CD1-CZ 4.13Å
772	S	94.4	Very high	97.1	Very high	40 Å²	40	44.6 Å²	44.6	28%	0.28	24%	0.244	S	C	.	.			trans	-91.9	161.3	175.3	73.8	0	0	0	0	111.9	Y774 E775 L776	S772-Y774 PolarHBondContact O-N 3.13Å; S772-E775 WeakPolarHBondContact CA-OE2 2.97Å; S772-E775 WeakPolarHBondContact CB-OE2 3.46Å; S772-E775 PolarHBondContact N-OE2 3.17Å; S772-E775 PolarHBondContact O-N 3.03Å; S772-E775 VanDerWaalsContact O-N 3.07Å; S772-E775 PolarHBondContact OG-OE2 2.88Å; S772-L776 WeakPolarHBondContact O-CG 3.11Å; S772-L776 PolarHBondContact O-N 3.24Å; S772-L776 VanDerWaalsContact O-N 3.15Å
773	M	94.8	Very high	97	Very high	91 Å²	91	44.6 Å²	44.6	45%	0.448	24%	0.244	S	C	.	.	H	α-helix	trans	-56.1	-34.8	178.3	-63.7	175.4	179.3	0	0	112.9	E775 L776 E777 F797 L801 D814	M773-E775 PolarHBondContact O-N 2.84Å; M773-L776 PolarHBondContact O-N 3.07Å; M773-E777 WeakPolarHBondContact O-CB 3.29Å; M773-E777 PolarHBondContact O-N 3.26Å; M773-F797 WeakPolarHBondContact O-CZ 3.31Å; M773-L801 HydrophobicContact CE-CD2 4.32Å; M773-L801 HydrophobicContact CG-CD2 3.98Å; M773-L801 HydrophobicContact SD-CD2 4.24Å; M773-D814 HydrophobicContact CE-CB 4.21Å
774	Y	95.8	Very high	96.8	Very high	157 Å²	157	46.5 Å²	46.5	62%	0.616	25%	0.254	S	S	*	.	H	α-helix	trans	-64.5	-37.8	177.8	171.3	-101.3	0	0	0	112.7	L765 S772 Y778	L765-Y774 HydrophobicContact CD1-CE1 4.49Å; S772-Y774 PolarHBondContact O-N 3.13Å; Y774-Y778 VanDerWaalsContact O-CB 3.29Å; Y774-Y778 WeakPolarHBondContact O-CB 3.42Å; Y774-Y778 PolarHBondContact O-N 2.75Å
775	E	97.4	Very high	96.7	Very high	5 Å²	5	48.2 Å²	48.2	2%	0.023	27%	0.271	C	S	.	.	H	α-helix	trans	-75.2	-38.6	-179.5	-62.8	161.3	109.3	0	0	110.6	L765 S772 M773 Y778 F779	L765-E775 HydrophobicContact CB-CG 4.06Å; L765-E775 HydrophobicContact CD1-CB 4.3Å; L765-E775 HydrophobicContact CD1-CG 3.84Å; L765-E775 HydrophobicContact CG-CB 4.26Å; L765-E775 HydrophobicContact CG-CG 3.81Å; L765-E775 PolarHBondContact N-OE1 3.39Å; S772-E775 WeakPolarHBondContact CA-OE2 2.97Å; S772-E775 WeakPolarHBondContact CB-OE2 3.46Å; S772-E775 PolarHBondContact N-OE2 3.17Å; S772-E775 PolarHBondContact O-N 3.03Å; S772-E775 VanDerWaalsContact O-N 3.07Å; S772-E775 PolarHBondContact OG-OE2 2.88Å; M773-E775 PolarHBondContact O-N 2.84Å; E775-Y778 WeakPolarHBondContact O-CB 3.34Å; E775-Y778 PolarHBondContact O-N 3.05Å; E775-F779 WeakPolarHBondContact O-CD2 3.39Å; E775-F779 PolarHBondContact O-N 3.33Å; E775-F779 VanDerWaalsContact O-N 3.1Å
776	L	97.1	Very high	96.7	Very high	3 Å²	3	47.9 Å²	47.9	2%	0.016	27%	0.266	C	S	.	.	H	α-helix	trans	-62.9	-43.4	172.4	-58.9	-174.9	0	0	0	111.4	M763 L771 S772 M773 Y778 F779 Y780 F797 L801 I816 F830 F834	M763-L776 HydrophobicContact CE-CD2 3.76Å; L771-L776 HydrophobicContact CB-CD2 4.08Å; L771-L776 HydrophobicContact CD1-CD2 4.1Å; S772-L776 WeakPolarHBondContact O-CG 3.11Å; S772-L776 PolarHBondContact O-N 3.24Å; S772-L776 VanDerWaalsContact O-N 3.15Å; M773-L776 PolarHBondContact O-N 3.07Å; L776-Y778 VanDerWaalsContact C-N 3.33Å; L776-Y778 PolarHBondContact O-N 2.92Å; L776-F779 PolarHBondContact O-N 3.18Å; L776-Y780 VanDerWaalsContact O-CB 3.24Å; L776-Y780 WeakPolarHBondContact O-CB 3.32Å; L776-Y780 PolarHBondContact O-N 2.62Å; L776-F797 HydrophobicContact CB-CE2 3.93Å; L776-F797 HydrophobicContact CB-CZ 4.02Å; L776-L801 HydrophobicContact CD1-CD1 3.74Å; L776-I816 HydrophobicContact CD1-CD1 4.23Å; L776-F830 HydrophobicContact CD1-CZ 4.42Å; L776-F830 HydrophobicContact CD2-CE1 4.31Å; L776-F830 HydrophobicContact CD2-CZ 3.67Å; L776-F834 HydrophobicContact CB-CD1 4.45Å; L776-F834 HydrophobicContact CB-CE1 3.7Å; L776-F834 HydrophobicContact CB-CZ 3.97Å; L776-F834 HydrophobicContact CD1-CZ 4.29Å; L776-F834 HydrophobicContact CD2-CD1 4.5Å; L776-F834 HydrophobicContact CD2-CD2 4.43Å; L776-F834 HydrophobicContact CD2-CE1 4.19Å; L776-F834 HydrophobicContact CD2-CE2 4.15Å; L776-F834 HydrophobicContact CD2-CZ 4.03Å; L776-F834 HydrophobicContact CG-CE1 4.42Å; L776-F834 HydrophobicContact CG-CZ 4.3Å; L776-F834 WeakPolarHBondContact O-CD1 3.39Å; L776-F834 WeakPolarHBondContact O-CE1 3.1Å
777	E	97.3	Very high	96.6	Very high	100 Å²	100	42.1 Å²	42.1	47%	0.467	24%	0.235	S	C	.	.	H	α-helix	trans	-62.7	-38.6	172.9	-169.4	-179.3	-173.2	0	0	111.5	M773 F779 Y780 S781 F797	M773-E777 WeakPolarHBondContact O-CB 3.29Å; M773-E777 PolarHBondContact O-N 3.26Å; E777-F779 PolarHBondContact O-N 2.8Å; E777-Y780 PolarHBondContact O-N 2.78Å; E777-S781 WeakPolarHBondContact O-CB 3.19Å; E777-S781 PolarHBondContact O-N 2.9Å; E777-S781 PolarHBondContact O-OG 3.39Å; E777-F797 HydrophobicContact CB-CD1 4.19Å; E777-F797 HydrophobicContact CB-CE1 3.76Å; E777-F797 HydrophobicContact CB-CE2 4.13Å; E777-F797 HydrophobicContact CB-CZ 3.73Å; E777-F797 HydrophobicContact CG-CD1 4.13Å; E777-F797 HydrophobicContact CG-CE1 4.17Å; E777-F797 HydrophobicContact CG-CG 4.46Å
778	Y	97.9	Very high	96.6	Very high	69 Å²	69	45.5 Å²	45.5	27%	0.271	24%	0.236	S	C	.	.	H	α-helix	trans	-63.1	-38.4	177.7	172.9	-94.7	0	0	0	113.2	R714 L765 Y774 E775 L776 S781	R714-Y778 HydrophobicContact CB-CE1 3.86Å; R714-Y778 VanDerWaalsContact CD-O 3.22Å; R714-Y778 WeakPolarHBondContact CD-O 3.4Å; R714-Y778 HydrophobicContact CG-CE1 4.07Å; R714-Y778 HydrophobicContact CG-CE2 4.39Å; R714-Y778 PolarHBondContact NH1-O 3.17Å; L765-Y778 HydrophobicContact CD1-CD1 3.7Å; L765-Y778 HydrophobicContact CD1-CE1 4.16Å; L765-Y778 HydrophobicContact CD1-CG 3.96Å; L765-Y778 HydrophobicContact CD2-CD1 4.26Å; L765-Y778 HydrophobicContact CD2-CE1 4.17Å; Y774-Y778 VanDerWaalsContact O-CB 3.29Å; Y774-Y778 WeakPolarHBondContact O-CB 3.42Å; Y774-Y778 PolarHBondContact O-N 2.75Å; E775-Y778 WeakPolarHBondContact O-CB 3.34Å; E775-Y778 PolarHBondContact O-N 3.05Å; L776-Y778 VanDerWaalsContact C-N 3.33Å; L776-Y778 PolarHBondContact O-N 2.92Å; Y778-S781 PolarHBondContact O-OG 2.78Å
779	F	98.3	Very high	96.5	Very high	0 Å²	0	49 Å²	49	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-80.8	-44.2	173.5	-66.2	-72	0	0	0	111.9	R714 M715 R718 M763 L765 E775 L776 E777 S781 E782 F834	R714-F779 HydrophobicContact CB-CD1 4.24Å; R714-F779 HydrophobicContact CB-CE1 4.34Å; M715-F779 HydrophobicContact CE-CD1 3.96Å; M715-F779 HydrophobicContact CE-CE1 3.57Å; M715-F779 HydrophobicContact CE-CZ 3.9Å; R718-F779 HydrophobicContact CG-CE1 4.22Å; R718-F779 HydrophobicContact CG-CZ 4.09Å; M763-F779 HydrophobicContact CB-CD2 4.49Å; M763-F779 HydrophobicContact CB-CE2 3.95Å; M763-F779 HydrophobicContact CE-CD2 3.94Å; M763-F779 HydrophobicContact CG-CD2 4.25Å; M763-F779 HydrophobicContact CG-CE2 4.01Å; M763-F779 HydrophobicContact CG-CZ 4.42Å; M763-F779 WeakPolarHBondContact O-CE2 3.49Å; L765-F779 HydrophobicContact CD2-CE2 3.95Å; L765-F779 HydrophobicContact CD2-CZ 3.65Å; L765-F779 HydrophobicContact CG-CE2 4.35Å; E775-F779 WeakPolarHBondContact O-CD2 3.39Å; E775-F779 PolarHBondContact O-N 3.33Å; E775-F779 VanDerWaalsContact O-N 3.1Å; L776-F779 PolarHBondContact O-N 3.18Å; E777-F779 PolarHBondContact O-N 2.8Å; F779-S781 VanDerWaalsContact C-N 3.31Å; F779-S781 PolarHBondContact O-N 3.02Å; F779-E782 PolarHBondContact O-N 2.61Å; F779-E782 VanDerWaalsContact O-N 3.15Å; F779-F834 HydrophobicContact CB-CB 4.12Å; F779-F834 HydrophobicContact CB-CD1 4.36Å; F779-F834 WeakPolarHBondContact CB-O 3.2Å
780	Y	97.8	Very high	96.3	Very high	1 Å²	1	52.9 Å²	52.9	0%	0.004	26%	0.26	C	S	.	.	H	α-helix	trans	-64	-34	-176.3	-161	-116.1	0	0	0	113.1	L776 E777 E782 Q783 L784 M787 I795 F797 C800 T833 F834	L776-Y780 VanDerWaalsContact O-CB 3.24Å; L776-Y780 WeakPolarHBondContact O-CB 3.32Å; L776-Y780 PolarHBondContact O-N 2.62Å; E777-Y780 PolarHBondContact O-N 2.78Å; Y780-E782 PolarHBondContact O-N 2.95Å; Y780-E782 VanDerWaalsContact O-N 3.14Å; Y780-Q783 HydrophobicContact CD2-CB 4.22Å; Y780-Q783 CarbonylContact O-C 3.47Å; Y780-Q783 WeakPolarHBondContact O-CA 3.38Å; Y780-Q783 WeakPolarHBondContact O-CB 3.46Å; Y780-Q783 PolarHBondContact O-N 3.3Å; Y780-L784 HydrophobicContact CD1-CD1 4.14Å; Y780-L784 HydrophobicContact CD1-CD2 4Å; Y780-L784 HydrophobicContact CD1-CG 3.85Å; Y780-L784 HydrophobicContact CE1-CD1 4.39Å; Y780-L784 HydrophobicContact CE1-CD2 3.49Å; Y780-L784 VanDerWaalsContact CE1-CD2 3.49Å; Y780-L784 HydrophobicContact CE1-CG 3.89Å; Y780-L784 WeakPolarHBondContact O-CG 3.18Å; Y780-L784 PolarHBondContact O-N 2.92Å; Y780-M787 HydrophobicContact CE2-CE 4.39Å; Y780-I795 PolarHBondContact OH-O 2.97Å; Y780-F797 HydrophobicContact CD1-CB 4.09Å; Y780-F797 AromaticContact CD1-CD2 3.8Å; Y780-F797 HydrophobicContact CD1-CD2 3.8Å; Y780-F797 HydrophobicContact CD1-CG 4.43Å; Y780-F797 HydrophobicContact CG-CD2 4.2Å; Y780-C800 HydrophobicContact CE1-CB 3.82Å; Y780-C800 HydrophobicContact CE2-CB 4.23Å; Y780-C800 WeakPolarHBondContact CE2-SG 3.28Å; Y780-T833 HydrophobicContact CD2-CG2 4.42Å; Y780-T833 HydrophobicContact CE2-CG2 4Å; Y780-F834 HydrophobicContact CD2-CD1 4.23Å; Y780-F834 HydrophobicContact CD2-CE1 4.25Å; Y780-F834 HydrophobicContact CG-CD1 4.48Å; Y780-F834 HydrophobicContact CG-CE1 4.31Å
781	S	97.6	Very high	96.2	Very high	44 Å²	44	54.9 Å²	54.9	31%	0.308	29%	0.288	S	S	.	.	H	α-helix	trans	-65.1	-14.2	177.8	54.1	0	0	0	0	114.9	R714 E777 Y778 F779	R714-S781 PolarHBondContact NH1-OG 3.37Å; E777-S781 WeakPolarHBondContact O-CB 3.19Å; E777-S781 PolarHBondContact O-N 2.9Å; E777-S781 PolarHBondContact O-OG 3.39Å; Y778-S781 PolarHBondContact O-OG 2.78Å; F779-S781 VanDerWaalsContact C-N 3.31Å; F779-S781 PolarHBondContact O-N 3.02Å
782	E	97.7	Very high	96	Very high	23 Å²	23	57.7 Å²	57.7	11%	0.107	30%	0.302	C	S	.	.	H	α-helix	trans	-85.3	-41.6	165.4	-159	-168.4	126	0	0	111.7	S712 E713 R714 F779 Y780 L784 A785 R786	S712-E782 WeakPolarHBondContact CA-OE1 3.44Å; S712-E782 VanDerWaalsContact CB-CD 3.49Å; S712-E782 WeakPolarHBondContact CB-OE1 3.46Å; E713-E782 PolarHBondContact N-OE1 2.81Å; E713-E782 PolarHBondContact N-OE2 2.93Å; R714-E782 VanDerWaalsContact CB-OE2 3.29Å; R714-E782 WeakPolarHBondContact CB-OE2 3.46Å; R714-E782 WeakPolarHBondContact CD-OE2 3.38Å; R714-E782 WeakPolarHBondContact CG-OE2 3.34Å; R714-E782 PolarHBondContact N-OE2 3.47Å; R714-E782 IonicContact NE-OE2 2.75Å; F779-E782 PolarHBondContact O-N 2.61Å; F779-E782 VanDerWaalsContact O-N 3.15Å; Y780-E782 PolarHBondContact O-N 2.95Å; Y780-E782 VanDerWaalsContact O-N 3.14Å; E782-L784 VanDerWaalsContact C-N 3.27Å; E782-L784 PolarHBondContact O-N 2.8Å; E782-A785 PolarHBondContact O-N 2.91Å; E782-A785 VanDerWaalsContact O-N 3.14Å; E782-R786 WeakPolarHBondContact O-CG 3.25Å; E782-R786 PolarHBondContact O-N 3.4Å
783	Q	96.3	Very high	95.9	Very high	0 Å²	0	64.6 Å²	64.6	0%	0	33%	0.33	C	S	.	.	H	α-helix	trans	-58.5	-39.1	175.8	-61.9	-76.4	88.2	0	0	111.8	Y780 R786 M787 D832 T833 F834	Y780-Q783 HydrophobicContact CD2-CB 4.22Å; Y780-Q783 CarbonylContact O-C 3.47Å; Y780-Q783 WeakPolarHBondContact O-CA 3.38Å; Y780-Q783 WeakPolarHBondContact O-CB 3.46Å; Y780-Q783 PolarHBondContact O-N 3.3Å; Q783-R786 PolarHBondContact O-N 2.82Å; Q783-M787 HydrophobicContact CB-CE 4.17Å; Q783-M787 WeakPolarHBondContact O-CB 3.46Å; Q783-M787 VanDerWaalsContact O-CE 3.28Å; Q783-M787 WeakPolarHBondContact O-CE 3.38Å; Q783-M787 WeakPolarHBondContact O-CG 3.38Å; Q783-M787 PolarHBondContact O-N 2.73Å; Q783-D832 PolarHBondContact NE2-O 2.77Å; Q783-T833 WeakPolarHBondContact CG-O 3.4Å; Q783-T833 PolarHBondContact NE2-O 2.74Å; Q783-F834 WeakPolarHBondContact CG-O 3.46Å
784	L	95.5	Very high	95.7	Very high	42 Å²	42	62.1 Å²	62.1	22%	0.22	32%	0.321	C	S	.	.	H	α-helix	trans	-53.5	-56.8	170.7	-71.3	-179	0	0	0	111.4	Y780 E782 R786 M787 E788 P794 I795	Y780-L784 HydrophobicContact CD1-CD1 4.14Å; Y780-L784 HydrophobicContact CD1-CD2 4Å; Y780-L784 HydrophobicContact CD1-CG 3.85Å; Y780-L784 HydrophobicContact CE1-CD1 4.39Å; Y780-L784 HydrophobicContact CE1-CD2 3.49Å; Y780-L784 VanDerWaalsContact CE1-CD2 3.49Å; Y780-L784 HydrophobicContact CE1-CG 3.89Å; Y780-L784 WeakPolarHBondContact O-CG 3.18Å; Y780-L784 PolarHBondContact O-N 2.92Å; E782-L784 VanDerWaalsContact C-N 3.27Å; E782-L784 PolarHBondContact O-N 2.8Å; L784-R786 VanDerWaalsContact C-N 3.32Å; L784-R786 PolarHBondContact O-N 3.04Å; L784-M787 HydrophobicContact CD2-CE 4.49Å; L784-M787 PolarHBondContact O-N 2.94Å; L784-M787 VanDerWaalsContact O-N 3.17Å; L784-E788 WeakPolarHBondContact O-CG 3.45Å; L784-E788 PolarHBondContact O-N 3.25Å; L784-P794 HydrophobicContact CD2-CB 3.57Å; L784-P794 HydrophobicContact CD2-CG 4.09Å; L784-I795 WeakPolarHBondContact CD2-O 3.33Å
785	A	96.4	Very high	95.5	Very high	52 Å²	52	57.1 Å²	57.1	43%	0.43	30%	0.304	S	S	.	.	H	α-helix	trans	-62.4	-37.7	-178.3	0	0	0	0	0	112.6	E782 E788 E789	E782-A785 PolarHBondContact O-N 2.91Å; E782-A785 VanDerWaalsContact O-N 3.14Å; A785-E788 PolarHBondContact O-N 2.69Å; A785-E789 PolarHBondContact O-N 2.93Å
786	R	96.2	Very high	95.3	Very high	34 Å²	34	59 Å²	59	13%	0.128	32%	0.317	C	S	.	.	H	α-helix	trans	-68.4	-34.8	176.3	-65.9	171	71.5	-155.3	8.5	112.3	Y709 A710 E782 Q783 L784 M790 F835 L837	Y709-R786 PolarHBondContact O-NH2 2.69Å; A710-R786 PolarHBondContact O-NH1 2.58Å; A710-R786 PolarHBondContact O-NH2 3.29Å; E782-R786 WeakPolarHBondContact O-CG 3.25Å; E782-R786 PolarHBondContact O-N 3.4Å; Q783-R786 PolarHBondContact O-N 2.82Å; L784-R786 VanDerWaalsContact C-N 3.32Å; L784-R786 PolarHBondContact O-N 3.04Å; R786-M790 WeakPolarHBondContact O-CG 3.38Å; R786-M790 PolarHBondContact O-N 3.05Å; R786-F835 PolarHBondContact NH1-O 3.4Å; R786-L837 HydrophobicContact CB-CD2 3.59Å
787	M	95.4	Very high	95.3	Very high	5 Å²	5	60.2 Å²	60.2	3%	0.025	32%	0.323	C	S	.	.	H	α-helix	trans	-67.9	-44.9	171.2	-78.1	-177.6	-80.1	0	0	111.6	Y780 Q783 L784 E789 M790 G791 I792 P794 L837 Y840	Y780-M787 HydrophobicContact CE2-CE 4.39Å; Q783-M787 HydrophobicContact CB-CE 4.17Å; Q783-M787 WeakPolarHBondContact O-CB 3.46Å; Q783-M787 VanDerWaalsContact O-CE 3.28Å; Q783-M787 WeakPolarHBondContact O-CE 3.38Å; Q783-M787 WeakPolarHBondContact O-CG 3.38Å; Q783-M787 PolarHBondContact O-N 2.73Å; L784-M787 HydrophobicContact CD2-CE 4.49Å; L784-M787 PolarHBondContact O-N 2.94Å; L784-M787 VanDerWaalsContact O-N 3.17Å; M787-E789 VanDerWaalsContact C-N 3.35Å; M787-E789 PolarHBondContact O-N 2.67Å; M787-M790 CarbonylContact O-C 3.47Å; M787-M790 PolarHBondContact O-N 3.41Å; M787-M790 VanDerWaalsContact O-N 3.17Å; M787-G791 PolarHBondContact O-N 3.48Å; M787-G791 VanDerWaalsContact O-N 3.16Å; M787-I792 CarbonylContact C-O 3.5Å; M787-I792 HydrophobicContact CB-CB 4.16Å; M787-I792 HydrophobicContact CB-CG2 4.48Å; M787-I792 HydrophobicContact CG-CB 4.49Å; M787-I792 HydrophobicContact CG-CG2 4.47Å; M787-I792 PolarHBondContact O-N 3.4Å; M787-P794 HydrophobicContact CB-CB 4.25Å; M787-P794 HydrophobicContact CE-CB 4.14Å; M787-P794 HydrophobicContact SD-CB 4.34Å; M787-L837 HydrophobicContact CG-CD1 3.58Å; M787-L837 HydrophobicContact CG-CD2 4.31Å; M787-L837 HydrophobicContact SD-CD1 4.21Å; M787-Y840 HydrophobicContact CE-CE1 4.39Å; M787-Y840 HydrophobicContact SD-CE1 4.02Å
788	E	95.5	Very high	95.2	Very high	129 Å²	129	61.7 Å²	61.7	60%	0.603	33%	0.33	S	S	*	.	H	α-helix	trans	-59.4	-42	176.3	-71.8	179.9	171.3	0	0	112.2	L784 A785 M790 G791 P794	L784-E788 WeakPolarHBondContact O-CG 3.45Å; L784-E788 PolarHBondContact O-N 3.25Å; A785-E788 PolarHBondContact O-N 2.69Å; E788-M790 VanDerWaalsContact C-N 3.33Å; E788-M790 PolarHBondContact O-N 3.23Å; E788-G791 PolarHBondContact O-N 3.16Å; E788-P794 HydrophobicContact CG-CG 4.15Å
789	E	94.5	Very high	95.1	Very high	173 Å²	173	63 Å²	63	81%	0.808	34%	0.341	S	S	*	.	H	α-helix	trans	-64	-35.6	176	-176.8	169.1	-152.1	0	0	112.6	A785 M787 G791	A785-E789 PolarHBondContact O-N 2.93Å; M787-E789 VanDerWaalsContact C-N 3.35Å; M787-E789 PolarHBondContact O-N 2.67Å; E789-G791 PolarHBondContact O-N 3.39Å
790	M	93.2	Very high	95	Very high	113 Å²	113	63.1 Å²	63.1	56%	0.557	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77	-2.5	173	-65.6	-177.8	-166.4	0	0	113.6	R786 M787 E788 I792 L837	R786-M790 WeakPolarHBondContact O-CG 3.38Å; R786-M790 PolarHBondContact O-N 3.05Å; M787-M790 CarbonylContact O-C 3.47Å; M787-M790 PolarHBondContact O-N 3.41Å; M787-M790 VanDerWaalsContact O-N 3.17Å; E788-M790 VanDerWaalsContact C-N 3.33Å; E788-M790 PolarHBondContact O-N 3.23Å; M790-I792 VanDerWaalsContact C-N 3.31Å; M790-I792 HydrophobicContact CB-CD1 4.03Å; M790-I792 HydrophobicContact CB-CG1 4.07Å; M790-L837 HydrophobicContact CE-CD2 3.67Å; M790-L837 HydrophobicContact SD-CD2 3.79Å
791	G	94.2	Very high	94.8	Very high	70 Å²	70	64 Å²	64	72%	0.722	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	73	20.8	-177.3	0	0	0	0	0	114.2	M787 E788 E789	M787-G791 PolarHBondContact O-N 3.48Å; M787-G791 VanDerWaalsContact O-N 3.16Å; E788-G791 PolarHBondContact O-N 3.16Å; E789-G791 PolarHBondContact O-N 3.39Å
792	I	92.8	Very high	94.6	Very high	60 Å²	60	65.5 Å²	65.5	31%	0.308	36%	0.357	S	S	.	.			trans	-91.1	127.2	176.6	-57.4	174.7	0	0	0	107.9	M787 M790 P794 L841	M787-I792 CarbonylContact C-O 3.5Å; M787-I792 HydrophobicContact CB-CB 4.16Å; M787-I792 HydrophobicContact CB-CG2 4.48Å; M787-I792 HydrophobicContact CG-CB 4.49Å; M787-I792 HydrophobicContact CG-CG2 4.47Å; M787-I792 PolarHBondContact O-N 3.4Å; M790-I792 VanDerWaalsContact C-N 3.31Å; M790-I792 HydrophobicContact CB-CD1 4.03Å; M790-I792 HydrophobicContact CB-CG1 4.07Å; I792-P794 VanDerWaalsContact O-CD 3.29Å; I792-P794 WeakPolarHBondContact O-CD 3.47Å; I792-L841 HydrophobicContact CD1-CD1 3.63Å; I792-L841 HydrophobicContact CD1-CD2 3.84Å; I792-L841 HydrophobicContact CD1-CG 4.41Å
793	E	92.3	Very high	94.4	Very high	186 Å²	186	69 Å²	69	87%	0.869	37%	0.373	S	S	*	.			trans	-70.4	115.4	174.7	-175.5	170.5	-165.9	0	0	109.4
794	P	89.9	Confident	94.2	Very high	39 Å²	39	69.1 Å²	69.1	25%	0.253	37%	0.374	S	S	.	.	P	Polyproline II helix	trans	-85	155.9	-172.8	34.8	-35.7	0	0	0	112.6	L784 M787 E788 I792	L784-P794 HydrophobicContact CD2-CB 3.57Å; L784-P794 HydrophobicContact CD2-CG 4.09Å; M787-P794 HydrophobicContact CB-CB 4.25Å; M787-P794 HydrophobicContact CE-CB 4.14Å; M787-P794 HydrophobicContact SD-CB 4.34Å; E788-P794 HydrophobicContact CG-CG 4.15Å; I792-P794 VanDerWaalsContact O-CD 3.29Å; I792-P794 WeakPolarHBondContact O-CD 3.47Å
795	I	91.8	Very high	94.2	Very high	51 Å²	51	69 Å²	69	26%	0.262	37%	0.373	S	S	.	.	P	Polyproline II helix	trans	-75.3	147	172.2	-56.4	178.3	0	0	0	109.1	Y780 L784 D799 C800	Y780-I795 PolarHBondContact OH-O 2.97Å; L784-I795 WeakPolarHBondContact CD2-O 3.33Å; I795-D799 HydrophobicContact CG2-CB 3.69Å; I795-C800 HydrophobicContact CG2-CB 4.24Å
796	S	94.7	Very high	94	Very high	44 Å²	44	72.4 Å²	72.4	31%	0.308	38%	0.384	S	S	.	.	P	Polyproline II helix	trans	-62.5	152.3	174.2	80.8	0	0	0	0	111.1	E798 D799 C800	S796-E798 PolarHBondContact O-N 3.27Å; S796-D799 PolarHBondContact O-N 3.09Å; S796-D799 VanDerWaalsContact OG-CB 3.31Å; S796-D799 WeakPolarHBondContact OG-CB 3.42Å; S796-D799 PolarHBondContact OG-N 3.12Å; S796-D799 PolarHBondContact OG-OD2 2.75Å; S796-C800 VanDerWaalsContact O-CB 3.26Å; S796-C800 WeakPolarHBondContact O-CB 3.29Å; S796-C800 PolarHBondContact O-N 2.86Å
797	F	96.4	Very high	93.8	Very high	29 Å²	29	72.8 Å²	72.8	13%	0.127	39%	0.388	C	S	.	.	H	α-helix	trans	-62.1	-36.9	175.9	174.5	-116.1	0	0	0	111.1	M773 L776 E777 Y780 L801 F834	M773-F797 WeakPolarHBondContact O-CZ 3.31Å; L776-F797 HydrophobicContact CB-CE2 3.93Å; L776-F797 HydrophobicContact CB-CZ 4.02Å; E777-F797 HydrophobicContact CB-CD1 4.19Å; E777-F797 HydrophobicContact CB-CE1 3.76Å; E777-F797 HydrophobicContact CB-CE2 4.13Å; E777-F797 HydrophobicContact CB-CZ 3.73Å; E777-F797 HydrophobicContact CG-CD1 4.13Å; E777-F797 HydrophobicContact CG-CE1 4.17Å; E777-F797 HydrophobicContact CG-CG 4.46Å; Y780-F797 HydrophobicContact CD1-CB 4.09Å; Y780-F797 AromaticContact CD1-CD2 3.8Å; Y780-F797 HydrophobicContact CD1-CD2 3.8Å; Y780-F797 HydrophobicContact CD1-CG 4.43Å; Y780-F797 HydrophobicContact CG-CD2 4.2Å; F797-L801 HydrophobicContact CE1-CD2 4.15Å; F797-L801 HydrophobicContact CE2-CB 4.37Å; F797-L801 HydrophobicContact CZ-CB 4.38Å; F797-L801 HydrophobicContact CZ-CD2 4.1Å; F797-L801 WeakPolarHBondContact O-CB 3.46Å; F797-L801 PolarHBondContact O-N 3.35Å; F797-F834 HydrophobicContact CE2-CE1 4.45Å
798	E	95.7	Very high	93.7	Very high	132 Å²	132	73 Å²	73	62%	0.617	39%	0.389	S	S	*	.	H	α-helix	trans	-63.2	-44.9	177.6	-64	91.7	151.1	0	0	112.7	S796 C802	S796-E798 PolarHBondContact O-N 3.27Å; E798-C802 PolarHBondContact O-N 3.27Å; E798-C802 PolarHBondContact O-SG 2.98Å
799	D	95.8	Very high	93.6	Very high	95 Å²	95	74.4 Å²	74.4	51%	0.508	39%	0.394	S	S	.	.	H	α-helix	trans	-70.9	-41.5	177.7	-66.5	-55.7	0	0	0	111.3	I795 S796 C802 Q803	I795-D799 HydrophobicContact CG2-CB 3.69Å; S796-D799 PolarHBondContact O-N 3.09Å; S796-D799 VanDerWaalsContact OG-CB 3.31Å; S796-D799 WeakPolarHBondContact OG-CB 3.42Å; S796-D799 PolarHBondContact OG-N 3.12Å; S796-D799 PolarHBondContact OG-OD2 2.75Å; D799-C802 PolarHBondContact O-N 3.45Å; D799-Q803 WeakPolarHBondContact O-CG 3.4Å; D799-Q803 PolarHBondContact O-N 3.43Å
800	C	94.3	Very high	93.5	Very high	4 Å²	4	67 Å²	67	3%	0.027	36%	0.36	C	S	.	.	H	α-helix	trans	-61.9	-43.8	175.1	-178.2	0	0	0	0	111.5	Y780 I795 S796 C802 Q803 C804	Y780-C800 HydrophobicContact CE1-CB 3.82Å; Y780-C800 HydrophobicContact CE2-CB 4.23Å; Y780-C800 WeakPolarHBondContact CE2-SG 3.28Å; I795-C800 HydrophobicContact CG2-CB 4.24Å; S796-C800 VanDerWaalsContact O-CB 3.26Å; S796-C800 WeakPolarHBondContact O-CB 3.29Å; S796-C800 PolarHBondContact O-N 2.86Å; C800-C802 VanDerWaalsContact C-N 3.34Å; C800-C802 PolarHBondContact O-N 2.89Å; C800-Q803 PolarHBondContact O-N 3.47Å; C800-C804 WeakPolarHBondContact O-CB 3.47Å; C800-C804 PolarHBondContact O-N 2.96Å; C800-C804 PolarHBondContact O-SG 3.28Å
801	L	94.5	Very high	93.5	Very high	19 Å²	19	65.3 Å²	65.3	10%	0.099	37%	0.365	C	S	.	.	H	α-helix	trans	-62.1	-41.2	176.1	178.2	62.2	0	0	0	111.3	M773 L776 F797 C804 L805	M773-L801 HydrophobicContact CE-CD2 4.32Å; M773-L801 HydrophobicContact CG-CD2 3.98Å; M773-L801 HydrophobicContact SD-CD2 4.24Å; L776-L801 HydrophobicContact CD1-CD1 3.74Å; F797-L801 HydrophobicContact CE1-CD2 4.15Å; F797-L801 HydrophobicContact CE2-CB 4.37Å; F797-L801 HydrophobicContact CZ-CB 4.38Å; F797-L801 HydrophobicContact CZ-CD2 4.1Å; F797-L801 WeakPolarHBondContact O-CB 3.46Å; F797-L801 PolarHBondContact O-N 3.35Å; L801-C804 PolarHBondContact O-N 2.86Å; L801-L805 HydrophobicContact CD1-CD1 4.06Å; L801-L805 HydrophobicContact CD1-CG 4.14Å; L801-L805 HydrophobicContact CG-CD1 3.99Å; L801-L805 HydrophobicContact CG-CG 4.47Å; L801-L805 WeakPolarHBondContact O-CB 3.44Å; L801-L805 VanDerWaalsContact O-CG 3.27Å; L801-L805 WeakPolarHBondContact O-CG 3.48Å; L801-L805 PolarHBondContact O-N 3.09Å
802	C	93.9	Very high	93.1	Very high	76 Å²	76	65.7 Å²	65.7	51%	0.514	35%	0.349	S	S	.	.	H	α-helix	trans	-61.3	-47	174.5	-69.3	0	0	0	0	111.7	E798 D799 C800 C804 L805 D806	E798-C802 PolarHBondContact O-N 3.27Å; E798-C802 PolarHBondContact O-SG 2.98Å; D799-C802 PolarHBondContact O-N 3.45Å; C800-C802 VanDerWaalsContact C-N 3.34Å; C800-C802 PolarHBondContact O-N 2.89Å; C802-C804 VanDerWaalsContact C-N 3.33Å; C802-C804 PolarHBondContact O-N 3.07Å; C802-L805 PolarHBondContact O-N 2.76Å; C802-D806 PolarHBondContact O-N 3.36Å
803	Q	92.8	Very high	92.5	Very high	96 Å²	96	68.9 Å²	68.9	45%	0.449	37%	0.372	S	S	.	.	H	α-helix	trans	-60.1	-42.4	175.7	-67.8	175.9	52.2	0	0	112	D799 C800 D806 M807	D799-Q803 WeakPolarHBondContact O-CG 3.4Å; D799-Q803 PolarHBondContact O-N 3.43Å; C800-Q803 PolarHBondContact O-N 3.47Å; Q803-D806 PolarHBondContact O-N 3.16Å; Q803-M807 VanDerWaalsContact O-CB 3.24Å; Q803-M807 WeakPolarHBondContact O-CB 3.39Å; Q803-M807 PolarHBondContact O-N 3.49Å
804	C	93.3	Very high	91.9	Very high	3 Å²	3	64.1 Å²	64.1	2%	0.02	35%	0.352	C	S	.	.	H	α-helix	trans	-65.3	-40.1	177.5	-70.4	0	0	0	0	112.8	C800 L801 C802 M807 V808 F830 F834	C800-C804 WeakPolarHBondContact O-CB 3.47Å; C800-C804 PolarHBondContact O-N 2.96Å; C800-C804 PolarHBondContact O-SG 3.28Å; L801-C804 PolarHBondContact O-N 2.86Å; C802-C804 VanDerWaalsContact C-N 3.33Å; C802-C804 PolarHBondContact O-N 3.07Å; C804-M807 PolarHBondContact O-N 2.88Å; C804-V808 WeakPolarHBondContact O-CB 3.43Å; C804-V808 WeakPolarHBondContact O-CG2 3.45Å; C804-V808 PolarHBondContact O-N 2.59Å; C804-F830 HydrophobicContact CB-CD2 3.98Å; C804-F830 HydrophobicContact CB-CE2 3.9Å; C804-F834 HydrophobicContact CB-CE2 4.42Å
805	L	93.9	Very high	91.6	Very high	38 Å²	38	65.7 Å²	65.7	20%	0.199	36%	0.355	C	S	.	.	H	α-helix	trans	-69.2	-39	176	-70.6	171	0	0	0	111.9	L801 C802 M807 K809 P810 I816	L801-L805 HydrophobicContact CD1-CD1 4.06Å; L801-L805 HydrophobicContact CD1-CG 4.14Å; L801-L805 HydrophobicContact CG-CD1 3.99Å; L801-L805 HydrophobicContact CG-CG 4.47Å; L801-L805 WeakPolarHBondContact O-CB 3.44Å; L801-L805 VanDerWaalsContact O-CG 3.27Å; L801-L805 WeakPolarHBondContact O-CG 3.48Å; L801-L805 PolarHBondContact O-N 3.09Å; C802-L805 PolarHBondContact O-N 2.76Å; L805-M807 VanDerWaalsContact C-N 3.32Å; L805-K809 VanDerWaalsContact O-CA 3.31Å; L805-K809 WeakPolarHBondContact O-CA 3.11Å; L805-K809 PolarHBondContact O-N 2.8Å; L805-P810 HydrophobicContact CD2-CG 3.79Å; L805-I816 HydrophobicContact CD2-CD1 4.23Å; L805-I816 HydrophobicContact CD2-CG1 4.16Å
806	D	92.6	Very high	91.8	Very high	125 Å²	125	63.3 Å²	63.3	67%	0.668	34%	0.343	S	S	*	.	H	α-helix	trans	-70.2	-26	173.2	-91.9	-18.1	0	0	0	113	C802 Q803 K809	C802-D806 PolarHBondContact O-N 3.36Å; Q803-D806 PolarHBondContact O-N 3.16Å; D806-K809 WeakPolarHBondContact O-CE 3.2Å; D806-K809 VanDerWaalsContact O-CG 3.24Å; D806-K809 WeakPolarHBondContact O-CG 3.08Å
807	M	92	Very high	91.9	Very high	41 Å²	41	65 Å²	65	20%	0.202	34%	0.343	C	S	.	.	H	α-helix	trans	-76.6	-47.4	173.6	173.4	165.1	54.6	0	0	112.2	Q803 C804 L805 C824 L826 I829 F830	Q803-M807 VanDerWaalsContact O-CB 3.24Å; Q803-M807 WeakPolarHBondContact O-CB 3.39Å; Q803-M807 PolarHBondContact O-N 3.49Å; C804-M807 PolarHBondContact O-N 2.88Å; L805-M807 VanDerWaalsContact C-N 3.32Å; M807-C824 PolarHBondContact O-SG 2.9Å; M807-L826 HydrophobicContact CG-CB 3.71Å; M807-L826 HydrophobicContact CG-CD1 4Å; M807-L826 HydrophobicContact SD-CB 3.68Å; M807-L826 HydrophobicContact SD-CD1 4.31Å; M807-I829 HydrophobicContact CE-CB 4.37Å; M807-I829 HydrophobicContact CE-CG2 4.38Å; M807-I829 HydrophobicContact SD-CB 3.92Å; M807-I829 HydrophobicContact SD-CG2 4.19Å; M807-F830 HydrophobicContact CE-CB 3.91Å; M807-F830 HydrophobicContact CE-CD2 4.46Å
808	V	93.1	Very high	91.9	Very high	9 Å²	9	65.8 Å²	65.8	6%	0.055	35%	0.348	C	S	.	.	H	α-helix	trans	-81.5	-33.4	-176.3	177.6	0	0	0	0	112.7	C804 I816 D820 M821 C824 F830	C804-V808 WeakPolarHBondContact O-CB 3.43Å; C804-V808 WeakPolarHBondContact O-CG2 3.45Å; C804-V808 PolarHBondContact O-N 2.59Å; V808-I816 HydrophobicContact CG1-CG2 3.71Å; V808-D820 HydrophobicContact CG1-CB 4.18Å; V808-M821 HydrophobicContact CG1-SD 4.01Å; V808-M821 HydrophobicContact CG2-SD 3.96Å; V808-C824 HydrophobicContact CB-CB 4.49Å; V808-C824 HydrophobicContact CG1-CB 4.29Å; V808-C824 HydrophobicContact CG2-CB 4.49Å; V808-F830 HydrophobicContact CG2-CD2 3.6Å; V808-F830 HydrophobicContact CG2-CE2 4.13Å; V808-F830 HydrophobicContact CG2-CG 4.26Å
809	K	92.9	Very high	91.9	Very high	160 Å²	160	61.8 Å²	61.8	70%	0.696	34%	0.335	S	S	*	.			trans	50	55.4	-176.5	-54.6	-173.6	-175.9	-179.4	0	112.5	L805 D806	L805-K809 VanDerWaalsContact O-CA 3.31Å; L805-K809 WeakPolarHBondContact O-CA 3.11Å; L805-K809 PolarHBondContact O-N 2.8Å; D806-K809 WeakPolarHBondContact O-CE 3.2Å; D806-K809 VanDerWaalsContact O-CG 3.24Å; D806-K809 WeakPolarHBondContact O-CG 3.08Å
810	P	93.9	Very high	92	Very high	17 Å²	17	57.5 Å²	57.5	11%	0.11	31%	0.312	C	S	.	.			trans	-60.5	142.5	-176.4	29.3	-37	0	0	0	111.3	L805 L812 I816 D820	L805-P810 HydrophobicContact CD2-CG 3.79Å; P810-L812 WeakPolarHBondContact CB-O 3.19Å; P810-L812 WeakPolarHBondContact CG-O 3.24Å; P810-L812 PolarHBondContact O-N 2.85Å; P810-L812 VanDerWaalsContact O-N 3.16Å; P810-I816 HydrophobicContact CB-CG1 4.23Å; P810-I816 HydrophobicContact CG-CG1 4.15Å; P810-D820 HydrophobicContact CB-CB 4.33Å
811	A	92.3	Very high	92	Very high	78 Å²	78	57.3 Å²	57.3	65%	0.645	31%	0.31	S	S	*	.	S	Bend	trans	-70.7	-9.7	-179.7	0	0	0	0	0	113.2
812	L	86.7	Confident	92.1	Very high	77 Å²	77	60.3 Å²	60.3	40%	0.403	32%	0.323	S	S	.	.	B	Isolated β-bridge	trans	-114.7	118.4	166.9	-58.3	177.8	0	0	0	107.1	P810 D814 K815	P810-L812 WeakPolarHBondContact CB-O 3.19Å; P810-L812 WeakPolarHBondContact CG-O 3.24Å; P810-L812 PolarHBondContact O-N 2.85Å; P810-L812 VanDerWaalsContact O-N 3.16Å; L812-D814 PolarHBondContact O-N 3.06Å; L812-K815 HydrophobicContact CB-CB 3.98Å; L812-K815 HydrophobicContact CD1-CB 4.38Å; L812-K815 PolarHBondContact O-N 3.12Å; L812-K815 VanDerWaalsContact O-N 3.15Å
813	T	80.4	Confident	92	Very high	127 Å²	127	63.6 Å²	63.6	78%	0.779	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58	-27.2	-164.4	-48.8	0	0	0	0	114.8
814	D	78.4	Confident	91.8	Very high	86 Å²	86	59.5 Å²	59.5	46%	0.46	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113.8	2.3	-174.3	64.7	-38.6	0	0	0	114	M773 L812	M773-D814 HydrophobicContact CE-CB 4.21Å; L812-D814 PolarHBondContact O-N 3.06Å
815	K	83.5	Confident	91.5	Very high	72 Å²	72	63.4 Å²	63.4	31%	0.313	33%	0.327	S	S	.	.	B	Isolated β-bridge	trans	-145.1	113.3	-165	-75	163.9	173.8	-70.2	0	111.8	L770 L812	L770-K815 HydrophobicContact CD1-CB 4.35Å; L770-K815 HydrophobicContact CD1-CD 3.92Å; L770-K815 HydrophobicContact CD1-CG 4.07Å; L812-K815 HydrophobicContact CB-CB 3.98Å; L812-K815 HydrophobicContact CD1-CB 4.38Å; L812-K815 PolarHBondContact O-N 3.12Å; L812-K815 VanDerWaalsContact O-N 3.15Å
816	I	96.3	Very high	91.4	Very high	2 Å²	2	64.4 Å²	64.4	1%	0.01	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	127.9	-179.8	-51.3	174.3	0	0	0	110.2	L770 L771 L776 L805 V808 P810 D820 M821 F830	L770-I816 CarbonylContact C-O 3.6Å; L770-I816 WeakPolarHBondContact CA-O 3.22Å; L771-I816 HydrophobicContact CB-CB 4.44Å; L771-I816 PolarHBondContact N-O 3.39Å; L771-I816 PolarHBondContact O-N 3.42Å; L776-I816 HydrophobicContact CD1-CD1 4.23Å; L805-I816 HydrophobicContact CD2-CD1 4.23Å; L805-I816 HydrophobicContact CD2-CG1 4.16Å; V808-I816 HydrophobicContact CG1-CG2 3.71Å; P810-I816 HydrophobicContact CB-CG1 4.23Å; P810-I816 HydrophobicContact CG-CG1 4.15Å; I816-D820 HydrophobicContact CG2-CB 4.32Å; I816-M821 HydrophobicContact CB-CE 4.39Å; I816-M821 HydrophobicContact CD1-CE 4.37Å; I816-M821 HydrophobicContact CG2-CE 3.47Å; I816-M821 VanDerWaalsContact CG2-CE 3.47Å; I816-M821 HydrophobicContact CG2-CG 4.16Å; I816-M821 HydrophobicContact CG2-SD 3.74Å; I816-F830 HydrophobicContact CD1-CE2 3.59Å; I816-F830 HydrophobicContact CD1-CZ 3.9Å
817	R	96.8	Very high	91.4	Very high	78 Å²	78	58.6 Å²	58.6	29%	0.294	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	160.1	175.8	-58.1	166.9	-60.8	167.3	14.7	111.2	F760 L770 S819 D820 M821	F760-R817 VanDerWaalsContact CE2-C 3.41Å; L770-R817 HydrophobicContact CD2-CG 3.55Å; R817-S819 WeakPolarHBondContact CB-OG 3.28Å; R817-S819 PolarHBondContact NE-OG 3.48Å; R817-S819 PolarHBondContact NH2-OG 3.23Å; R817-S819 PolarHBondContact O-N 3.42Å; R817-S819 VanDerWaalsContact O-N 3.16Å; R817-D820 WeakPolarHBondContact CB-OD2 3.33Å; R817-D820 IonicContact CZ-OD1 3.44Å; R817-D820 IonicContact CZ-OD2 3.61Å; R817-D820 PolarHBondContact N-OD2 3.24Å; R817-D820 VanDerWaalsContact N-OD2 3.09Å; R817-D820 IonicContact NE-OD1 3.39Å; R817-D820 PolarHBondContact NE-OD1 2.69Å; R817-D820 IonicContact NE-OD2 2.86Å; R817-D820 PolarHBondContact NE-OD2 3.26Å; R817-D820 IonicContact NH2-OD1 2.68Å; R817-D820 PolarHBondContact NH2-OD1 3.3Å; R817-D820 IonicContact NH2-OD2 3.51Å; R817-D820 WeakPolarHBondContact O-CA 3Å; R817-D820 WeakPolarHBondContact O-CB 3.45Å; R817-D820 PolarHBondContact O-N 3.14Å; R817-M821 PolarHBondContact O-N 3.1Å; R817-M821 VanDerWaalsContact O-N 3.12Å
818	L	97.1	Very high	91.5	Very high	47 Å²	47	58 Å²	58	25%	0.246	30%	0.298	C	S	.	.	H	α-helix	trans	-52.7	-35.5	168.5	174.4	63	0	0	0	112.5	I756 E757 F760 D820 K822	I756-L818 HydrophobicContact CG2-CD1 3.99Å; E757-L818 HydrophobicContact CG-CD1 3.97Å; E757-L818 HydrophobicContact CG-CD2 3.96Å; F760-L818 HydrophobicContact CB-CD1 3.89Å; F760-L818 HydrophobicContact CD1-CB 3.99Å; F760-L818 HydrophobicContact CD2-CB 4.08Å; F760-L818 HydrophobicContact CD2-CD1 4.4Å; F760-L818 HydrophobicContact CE1-CB 4.09Å; F760-L818 HydrophobicContact CE2-CB 4.16Å; F760-L818 HydrophobicContact CG-CB 4Å; F760-L818 HydrophobicContact CG-CD1 4.02Å; F760-L818 HydrophobicContact CZ-CB 4.17Å; F760-L818 VanDerWaalsContact CZ-N 3.31Å; L818-D820 PolarHBondContact O-N 3.15Å; L818-K822 HydrophobicContact CD1-CD 4.47Å; L818-K822 HydrophobicContact CD1-CG 4.4Å; L818-K822 WeakPolarHBondContact O-CG 3.33Å; L818-K822 PolarHBondContact O-N 3.48Å
819	S	96.3	Very high	91.5	Very high	47 Å²	47	58.5 Å²	58.5	33%	0.329	30%	0.3	S	S	.	.	H	α-helix	trans	-61.5	-33.9	174.7	59.4	0	0	0	0	112.8	R817 Q823	R817-S819 WeakPolarHBondContact CB-OG 3.28Å; R817-S819 PolarHBondContact NE-OG 3.48Å; R817-S819 PolarHBondContact NH2-OG 3.23Å; R817-S819 PolarHBondContact O-N 3.42Å; R817-S819 VanDerWaalsContact O-N 3.16Å; S819-Q823 WeakPolarHBondContact O-CG 3.37Å; S819-Q823 PolarHBondContact O-N 3.22Å; S819-Q823 PolarHBondContact O-NE2 3.38Å
820	D	96.7	Very high	91.7	Very high	5 Å²	5	50.9 Å²	50.9	3%	0.027	27%	0.267	C	S	.	.	H	α-helix	trans	-81.1	-39	-174.1	-51.7	-28.9	0	0	0	109.3	V808 P810 I816 R817 L818 K822 Q823 C824	V808-D820 HydrophobicContact CG1-CB 4.18Å; P810-D820 HydrophobicContact CB-CB 4.33Å; I816-D820 HydrophobicContact CG2-CB 4.32Å; R817-D820 WeakPolarHBondContact CB-OD2 3.33Å; R817-D820 IonicContact CZ-OD1 3.44Å; R817-D820 IonicContact CZ-OD2 3.61Å; R817-D820 PolarHBondContact N-OD2 3.24Å; R817-D820 VanDerWaalsContact N-OD2 3.09Å; R817-D820 IonicContact NE-OD1 3.39Å; R817-D820 PolarHBondContact NE-OD1 2.69Å; R817-D820 IonicContact NE-OD2 2.86Å; R817-D820 PolarHBondContact NE-OD2 3.26Å; R817-D820 IonicContact NH2-OD1 2.68Å; R817-D820 PolarHBondContact NH2-OD1 3.3Å; R817-D820 IonicContact NH2-OD2 3.51Å; R817-D820 WeakPolarHBondContact O-CA 3Å; R817-D820 WeakPolarHBondContact O-CB 3.45Å; R817-D820 PolarHBondContact O-N 3.14Å; L818-D820 PolarHBondContact O-N 3.15Å; D820-K822 VanDerWaalsContact C-N 3.33Å; D820-K822 PolarHBondContact O-N 3.15Å; D820-Q823 PolarHBondContact O-N 2.84Å; D820-Q823 VanDerWaalsContact O-N 3.11Å; D820-C824 WeakPolarHBondContact O-CB 3.49Å; D820-C824 PolarHBondContact O-N 3.43Å
821	M	95.7	Very high	91.9	Very high	0 Å²	0	50 Å²	50	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-57.6	-42.5	167.5	-61.8	-50.9	-163.5	0	0	112.7	I756 F760 L771 V808 I816 R817 Q823 C824 C827 F830	I756-M821 HydrophobicContact CG2-CB 3.66Å; F760-M821 HydrophobicContact CD2-CG 3.98Å; F760-M821 HydrophobicContact CE2-CG 4.37Å; L771-M821 HydrophobicContact CD1-CE 3.68Å; V808-M821 HydrophobicContact CG1-SD 4.01Å; V808-M821 HydrophobicContact CG2-SD 3.96Å; I816-M821 HydrophobicContact CB-CE 4.39Å; I816-M821 HydrophobicContact CD1-CE 4.37Å; I816-M821 HydrophobicContact CG2-CE 3.47Å; I816-M821 VanDerWaalsContact CG2-CE 3.47Å; I816-M821 HydrophobicContact CG2-CG 4.16Å; I816-M821 HydrophobicContact CG2-SD 3.74Å; R817-M821 PolarHBondContact O-N 3.1Å; R817-M821 VanDerWaalsContact O-N 3.12Å; M821-Q823 PolarHBondContact O-N 3.42Å; M821-C824 PolarHBondContact O-N 3.25Å; M821-C827 HydrophobicContact CB-CB 4.4Å; M821-F830 HydrophobicContact CE-CD1 3.44Å; M821-F830 VanDerWaalsContact CE-CD1 3.44Å; M821-F830 HydrophobicContact CE-CD2 4.1Å; M821-F830 HydrophobicContact CE-CE1 3.16Å; M821-F830 HydrophobicContact CE-CE2 3.82Å; M821-F830 HydrophobicContact CE-CG 3.93Å; M821-F830 HydrophobicContact CE-CZ 3.37Å; M821-F830 HydrophobicContact SD-CD1 4.31Å; M821-F830 HydrophobicContact SD-CG 4.41Å
822	K	94.6	Very high	92.1	Very high	83 Å²	83	46.6 Å²	46.6	36%	0.361	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71	-14.8	177.2	-72.8	-170.7	171.7	-157	0	114.5	P753 I756 E757 L818 D820	P753-K822 WeakPolarHBondContact O-CE 3.49Å; P753-K822 PolarHBondContact O-NZ 3.28Å; I756-K822 HydrophobicContact CB-CG 4.44Å; I756-K822 HydrophobicContact CD1-CG 4.2Å; I756-K822 HydrophobicContact CG2-CG 3.92Å; E757-K822 IonicContact OE1-NZ 2.9Å; E757-K822 PolarHBondContact OE1-NZ 2.93Å; L818-K822 HydrophobicContact CD1-CD 4.47Å; L818-K822 HydrophobicContact CD1-CG 4.4Å; L818-K822 WeakPolarHBondContact O-CG 3.33Å; L818-K822 PolarHBondContact O-N 3.48Å; D820-K822 VanDerWaalsContact C-N 3.33Å; D820-K822 PolarHBondContact O-N 3.15Å
823	Q	92.6	Very high	92.6	Very high	144 Å²	144	43.2 Å²	43.2	67%	0.673	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	-94.2	-30.3	172.2	-74.8	166.2	85.9	0	0	111.5	S819 D820 M821 R825	S819-Q823 WeakPolarHBondContact O-CG 3.37Å; S819-Q823 PolarHBondContact O-N 3.22Å; S819-Q823 PolarHBondContact O-NE2 3.38Å; D820-Q823 PolarHBondContact O-N 2.84Å; D820-Q823 VanDerWaalsContact O-N 3.11Å; M821-Q823 PolarHBondContact O-N 3.42Å; Q823-R825 PolarHBondContact O-N 3.2Å
824	C	88.9	Confident	93.4	Very high	11 Å²	11	37.1 Å²	37.1	7%	0.074	18%	0.178	C	C	.	.			trans	-73.8	108	173.2	-176.7	0	0	0	0	111	M807 V808 D820 M821 L826 C827	M807-C824 PolarHBondContact O-SG 2.9Å; V808-C824 HydrophobicContact CB-CB 4.49Å; V808-C824 HydrophobicContact CG1-CB 4.29Å; V808-C824 HydrophobicContact CG2-CB 4.49Å; D820-C824 WeakPolarHBondContact O-CB 3.49Å; D820-C824 PolarHBondContact O-N 3.43Å; M821-C824 PolarHBondContact O-N 3.25Å; C824-L826 PolarHBondContact O-N 2.97Å; C824-L826 PolarHBondContact SG-N 3.35Å; C824-L826 VanDerWaalsContact SG-N 3.4Å; C824-C827 PolarHBondContact O-N 3.4Å; C824-C827 PolarHBondContact O-SG 2.87Å
825	R	86.8	Confident	94.4	Very high	85 Å²	85	33 Å²	33	32%	0.321	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66	-0.5	172.9	-63.7	-168.1	-173.6	146.6	2.7	114.4	Q823 N859	Q823-R825 PolarHBondContact O-N 3.2Å; R825-N859 VanDerWaalsContact CZ-OD1 3.3Å; R825-N859 PolarHBondContact NH1-ND2 3.17Å; R825-N859 VanDerWaalsContact NH1-ND2 3.11Å; R825-N859 PolarHBondContact NH1-OD1 3.14Å; R825-N859 PolarHBondContact NH2-OD1 2.98Å
826	L	91.2	Very high	95	Very high	59 Å²	59	29.7 Å²	29.7	31%	0.309	14%	0.141	S	C	.	.	T	Hydrogen-bonded Turn	trans	-113.7	15.8	-180	-55.7	175.8	0	0	0	112.5	M807 C824 H828 I829 F830	M807-L826 HydrophobicContact CG-CB 3.71Å; M807-L826 HydrophobicContact CG-CD1 4Å; M807-L826 HydrophobicContact SD-CB 3.68Å; M807-L826 HydrophobicContact SD-CD1 4.31Å; C824-L826 PolarHBondContact O-N 2.97Å; C824-L826 PolarHBondContact SG-N 3.35Å; C824-L826 VanDerWaalsContact SG-N 3.4Å; L826-H828 PolarHBondContact O-N 3.44Å; L826-I829 HydrophobicContact CB-CD1 4.36Å; L826-I829 HydrophobicContact CD2-CD1 4.06Å; L826-I829 PolarHBondContact O-N 2.93Å; L826-F830 PolarHBondContact O-N 2.74Å
827	C	93.3	Very high	95	Very high	3 Å²	3	29.6 Å²	29.6	2%	0.02	14%	0.141	C	C	.	.	H	α-helix	trans	-57.7	-27	177.8	49.9	0	0	0	0	114	I756 M821 C824 F830 F831	I756-C827 VanDerWaalsContact CD1-SG 3.54Å; M821-C827 HydrophobicContact CB-CB 4.4Å; C824-C827 PolarHBondContact O-N 3.4Å; C824-C827 PolarHBondContact O-SG 2.87Å; C827-F830 WeakPolarHBondContact O-CB 3.33Å; C827-F830 PolarHBondContact O-N 2.96Å; C827-F831 HydrophobicContact CB-CE2 4.15Å; C827-F831 WeakPolarHBondContact O-CD2 3.27Å; C827-F831 WeakPolarHBondContact O-CG 3.48Å; C827-F831 PolarHBondContact O-N 3.39Å
828	H	93.6	Very high	94.9	Very high	27 Å²	27	28.3 Å²	28.3	13%	0.125	14%	0.142	C	C	.	.	H	α-helix	trans	-60	-47.9	171.7	62.7	-85.4	0	0	0	111.9	K750 H751 L826 F830 F831 D832 H843	K750-H828 HydrophobicContact CB-CB 3.79Å; H751-H828 AromaticContact CD2-ND1 3.53Å; H751-H828 AromaticContact CE1-CE1 3.52Å; H751-H828 AromaticContact CE1-CG 3.79Å; H751-H828 AromaticContact CE1-ND1 3.31Å; H751-H828 PolarHBondContact CE1-ND1 3.27Å; H751-H828 VanDerWaalsContact CE1-ND1 3.31Å; H751-H828 AromaticContact NE2-CE1 3.11Å; H751-H828 PolarHBondContact NE2-CE1 3.4Å; H751-H828 AromaticContact NE2-CG 3.78Å; H751-H828 AromaticContact NE2-ND1 2.87Å; H751-H828 PolarHBondContact NE2-ND1 2.99Å; L826-H828 PolarHBondContact O-N 3.44Å; H828-F830 VanDerWaalsContact C-N 3.35Å; H828-F830 PolarHBondContact O-N 2.78Å; H828-F831 PolarHBondContact O-N 2.81Å; H828-D832 VanDerWaalsContact O-CG 3.31Å; H828-D832 PolarHBondContact O-N 3.35Å; H828-H843 AromaticContact CD2-CE1 3.82Å
829	I	94.5	Very high	94.8	Very high	20 Å²	20	27.8 Å²	27.8	10%	0.103	14%	0.138	C	C	.	.	H	α-helix	trans	-60.8	-46.8	177	-47.9	-175	0	0	0	109.7	M807 L826 F831 D832 T833 H843 N851	M807-I829 HydrophobicContact CE-CB 4.37Å; M807-I829 HydrophobicContact CE-CG2 4.38Å; M807-I829 HydrophobicContact SD-CB 3.92Å; M807-I829 HydrophobicContact SD-CG2 4.19Å; L826-I829 HydrophobicContact CB-CD1 4.36Å; L826-I829 HydrophobicContact CD2-CD1 4.06Å; L826-I829 PolarHBondContact O-N 2.93Å; I829-F831 VanDerWaalsContact C-N 3.34Å; I829-F831 PolarHBondContact O-N 2.72Å; I829-D832 PolarHBondContact O-N 2.84Å; I829-T833 PolarHBondContact O-N 3.41Å; I829-T833 PolarHBondContact O-OG1 3.35Å; I829-H843 HydrophobicContact CG2-CB 4.12Å; I829-N851 WeakPolarHBondContact CD1-ND2 3.44Å
830	F	96.4	Very high	94.7	Very high	0 Å²	0	26 Å²	26	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-52.2	-52.5	175.8	-180	-79.7	0	0	0	111.4	M763 L771 L776 C804 M807 V808 I816 M821 L826 C827 H828 T833 F834	M763-F830 HydrophobicContact CE-CE1 3.91Å; M763-F830 HydrophobicContact SD-CE1 4.06Å; L771-F830 HydrophobicContact CD1-CE1 4Å; L771-F830 HydrophobicContact CD1-CZ 4.13Å; L776-F830 HydrophobicContact CD1-CZ 4.42Å; L776-F830 HydrophobicContact CD2-CE1 4.31Å; L776-F830 HydrophobicContact CD2-CZ 3.67Å; C804-F830 HydrophobicContact CB-CD2 3.98Å; C804-F830 HydrophobicContact CB-CE2 3.9Å; M807-F830 HydrophobicContact CE-CB 3.91Å; M807-F830 HydrophobicContact CE-CD2 4.46Å; V808-F830 HydrophobicContact CG2-CD2 3.6Å; V808-F830 HydrophobicContact CG2-CE2 4.13Å; V808-F830 HydrophobicContact CG2-CG 4.26Å; I816-F830 HydrophobicContact CD1-CE2 3.59Å; I816-F830 HydrophobicContact CD1-CZ 3.9Å; M821-F830 HydrophobicContact CE-CD1 3.44Å; M821-F830 VanDerWaalsContact CE-CD1 3.44Å; M821-F830 HydrophobicContact CE-CD2 4.1Å; M821-F830 HydrophobicContact CE-CE1 3.16Å; M821-F830 HydrophobicContact CE-CE2 3.82Å; M821-F830 HydrophobicContact CE-CG 3.93Å; M821-F830 HydrophobicContact CE-CZ 3.37Å; M821-F830 HydrophobicContact SD-CD1 4.31Å; M821-F830 HydrophobicContact SD-CG 4.41Å; L826-F830 PolarHBondContact O-N 2.74Å; C827-F830 WeakPolarHBondContact O-CB 3.33Å; C827-F830 PolarHBondContact O-N 2.96Å; H828-F830 VanDerWaalsContact C-N 3.35Å; H828-F830 PolarHBondContact O-N 2.78Å; F830-T833 PolarHBondContact O-N 2.76Å; F830-F834 AromaticContact CD1-CD2 3.94Å; F830-F834 HydrophobicContact CD1-CD2 3.94Å; F830-F834 HydrophobicContact CD1-CE2 4.24Å; F830-F834 HydrophobicContact CD2-CD2 4.43Å; F830-F834 AromaticContact CD2-CE2 3.94Å; F830-F834 HydrophobicContact CD2-CE2 3.94Å; F830-F834 AromaticContact CE1-CD2 3.58Å; F830-F834 HydrophobicContact CE1-CD2 3.58Å; F830-F834 AromaticContact CE1-CE2 3.78Å; F830-F834 HydrophobicContact CE1-CE2 3.78Å; F830-F834 HydrophobicContact CE2-CD2 4.15Å; F830-F834 AromaticContact CE2-CE2 3.49Å; F830-F834 HydrophobicContact CE2-CE2 3.49Å; F830-F834 VanDerWaalsContact CE2-CE2 3.49Å; F830-F834 HydrophobicContact CE2-CZ 4.41Å; F830-F834 HydrophobicContact CG-CD2 4.33Å; F830-F834 HydrophobicContact CG-CE2 4.29Å; F830-F834 AromaticContact CZ-CD2 3.7Å; F830-F834 HydrophobicContact CZ-CD2 3.7Å; F830-F834 AromaticContact CZ-CE2 3.38Å; F830-F834 HydrophobicContact CZ-CE2 3.38Å; F830-F834 HydrophobicContact CZ-CZ 4.32Å; F830-F834 VanDerWaalsContact O-CD2 3.22Å; F830-F834 WeakPolarHBondContact O-CD2 3.44Å; F830-F834 PolarHBondContact O-N 2.84Å
831	F	97.9	Very high	94.5	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-62.6	-46.1	-179.2	-70.9	-45.8	0	0	0	112	K750 I756 W759 M763 C827 H828 I829 T833 F834 F835	K750-F831 HydrophobicContact CB-CD2 4.48Å; K750-F831 HydrophobicContact CD-CB 3.71Å; K750-F831 HydrophobicContact CD-CD2 4.3Å; K750-F831 HydrophobicContact CD-CG 4.43Å; I756-F831 HydrophobicContact CB-CE2 4.32Å; I756-F831 HydrophobicContact CG1-CE2 4.33Å; I756-F831 HydrophobicContact CG2-CE2 4.13Å; I756-F831 HydrophobicContact CG2-CZ 4.07Å; W759-F831 HydrophobicContact CB-CD1 3.7Å; W759-F831 HydrophobicContact CB-CD2 4.19Å; W759-F831 HydrophobicContact CB-CE1 3.59Å; W759-F831 HydrophobicContact CB-CE2 4.11Å; W759-F831 HydrophobicContact CB-CG 4.01Å; W759-F831 HydrophobicContact CB-CZ 3.81Å; W759-F831 HydrophobicContact CG-CG 4.44Å; M763-F831 HydrophobicContact SD-CD1 3.76Å; M763-F831 HydrophobicContact SD-CE1 4.03Å; C827-F831 HydrophobicContact CB-CE2 4.15Å; C827-F831 WeakPolarHBondContact O-CD2 3.27Å; C827-F831 WeakPolarHBondContact O-CG 3.48Å; C827-F831 PolarHBondContact O-N 3.39Å; H828-F831 PolarHBondContact O-N 2.81Å; I829-F831 VanDerWaalsContact C-N 3.34Å; I829-F831 PolarHBondContact O-N 2.72Å; F831-T833 PolarHBondContact O-N 2.94Å; F831-F834 PolarHBondContact O-N 2.91Å; F831-F835 HydrophobicContact CB-CE1 3.64Å; F831-F835 HydrophobicContact CB-CZ 3.67Å; F831-F835 AromaticContact CD1-CE1 3.95Å; F831-F835 HydrophobicContact CD1-CE1 3.95Å; F831-F835 HydrophobicContact CD1-CZ 4.45Å; F831-F835 HydrophobicContact CG-CE1 4.15Å; F831-F835 HydrophobicContact CG-CZ 4.29Å; F831-F835 WeakPolarHBondContact O-CD1 3.24Å; F831-F835 VanDerWaalsContact O-CE1 3.24Å; F831-F835 WeakPolarHBondContact O-CE1 3.45Å; F831-F835 PolarHBondContact O-N 3.37Å; F831-F835 VanDerWaalsContact O-N 3.15Å
832	D	97.1	Very high	94.2	Very high	5 Å²	5	33.5 Å²	33.5	3%	0.027	16%	0.16	C	C	.	.	H	α-helix	trans	-60.7	-43.3	178.9	-66.6	-34.9	0	0	0	111.4	K750 Q783 H828 I829 F834 F835 N836 K839 H843	K750-D832 VanDerWaalsContact CE-OD1 3.28Å; K750-D832 WeakPolarHBondContact CE-OD1 3.45Å; K750-D832 IonicContact NZ-OD1 2.74Å; K750-D832 PolarHBondContact NZ-OD1 2.95Å; Q783-D832 PolarHBondContact NE2-O 2.77Å; H828-D832 VanDerWaalsContact O-CG 3.31Å; H828-D832 PolarHBondContact O-N 3.35Å; I829-D832 PolarHBondContact O-N 2.84Å; D832-F834 VanDerWaalsContact C-N 3.29Å; D832-F834 PolarHBondContact O-N 2.76Å; D832-F835 PolarHBondContact O-N 3.15Å; D832-N836 HydrophobicContact CB-CB 4.33Å; D832-N836 CarbonylContact O-C 3.55Å; D832-N836 PolarHBondContact O-N 2.86Å; D832-N836 VanDerWaalsContact O-O 3.04Å; D832-K839 HydrophobicContact CB-CB 3.93Å; D832-K839 VanDerWaalsContact CG-CB 3.44Å; D832-K839 WeakPolarHBondContact OD2-CB 3.37Å; D832-H843 IonicContact OD2-CD2 3.61Å; D832-H843 IonicContact OD2-CE1 3.86Å; D832-H843 IonicContact OD2-NE2 2.78Å; D832-H843 PolarHBondContact OD2-NE2 3.43Å
833	T	96.6	Very high	93.8	Very high	6 Å²	6	31.2 Å²	31.2	4%	0.037	15%	0.151	C	C	.	.	H	α-helix	trans	-52.2	-44.1	174.7	-62.7	0	0	0	0	112.6	Y780 Q783 I829 F830 F831 Y840	Y780-T833 HydrophobicContact CD2-CG2 4.42Å; Y780-T833 HydrophobicContact CE2-CG2 4Å; Q783-T833 WeakPolarHBondContact CG-O 3.4Å; Q783-T833 PolarHBondContact NE2-O 2.74Å; I829-T833 PolarHBondContact O-N 3.41Å; I829-T833 PolarHBondContact O-OG1 3.35Å; F830-T833 PolarHBondContact O-N 2.76Å; F831-T833 PolarHBondContact O-N 2.94Å; T833-Y840 HydrophobicContact CG2-CD2 4.22Å; T833-Y840 HydrophobicContact CG2-CE2 4.01Å; T833-Y840 WeakPolarHBondContact OG1-CD2 3.32Å; T833-Y840 VanDerWaalsContact OG1-CE2 3.31Å; T833-Y840 WeakPolarHBondContact OG1-CE2 3.46Å
834	F	98	Very high	93.4	Very high	0 Å²	0	29 Å²	29	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-82.3	-21.2	-176.9	-73.9	-73	0	0	0	114.9	M763 L776 F779 Y780 Q783 F797 C804 F830 F831 D832	M763-F834 HydrophobicContact CE-CB 3.63Å; M763-F834 HydrophobicContact CE-CD1 4.42Å; M763-F834 HydrophobicContact CE-CD2 3.94Å; M763-F834 HydrophobicContact CE-CG 3.73Å; L776-F834 HydrophobicContact CB-CD1 4.45Å; L776-F834 HydrophobicContact CB-CE1 3.7Å; L776-F834 HydrophobicContact CB-CZ 3.97Å; L776-F834 HydrophobicContact CD1-CZ 4.29Å; L776-F834 HydrophobicContact CD2-CD1 4.5Å; L776-F834 HydrophobicContact CD2-CD2 4.43Å; L776-F834 HydrophobicContact CD2-CE1 4.19Å; L776-F834 HydrophobicContact CD2-CE2 4.15Å; L776-F834 HydrophobicContact CD2-CZ 4.03Å; L776-F834 HydrophobicContact CG-CE1 4.42Å; L776-F834 HydrophobicContact CG-CZ 4.3Å; L776-F834 WeakPolarHBondContact O-CD1 3.39Å; L776-F834 WeakPolarHBondContact O-CE1 3.1Å; F779-F834 HydrophobicContact CB-CB 4.12Å; F779-F834 HydrophobicContact CB-CD1 4.36Å; F779-F834 WeakPolarHBondContact CB-O 3.2Å; Y780-F834 HydrophobicContact CD2-CD1 4.23Å; Y780-F834 HydrophobicContact CD2-CE1 4.25Å; Y780-F834 HydrophobicContact CG-CD1 4.48Å; Y780-F834 HydrophobicContact CG-CE1 4.31Å; Q783-F834 WeakPolarHBondContact CG-O 3.46Å; F797-F834 HydrophobicContact CE2-CE1 4.45Å; C804-F834 HydrophobicContact CB-CE2 4.42Å; F830-F834 AromaticContact CD1-CD2 3.94Å; F830-F834 HydrophobicContact CD1-CD2 3.94Å; F830-F834 HydrophobicContact CD1-CE2 4.24Å; F830-F834 HydrophobicContact CD2-CD2 4.43Å; F830-F834 AromaticContact CD2-CE2 3.94Å; F830-F834 HydrophobicContact CD2-CE2 3.94Å; F830-F834 AromaticContact CE1-CD2 3.58Å; F830-F834 HydrophobicContact CE1-CD2 3.58Å; F830-F834 AromaticContact CE1-CE2 3.78Å; F830-F834 HydrophobicContact CE1-CE2 3.78Å; F830-F834 HydrophobicContact CE2-CD2 4.15Å; F830-F834 AromaticContact CE2-CE2 3.49Å; F830-F834 HydrophobicContact CE2-CE2 3.49Å; F830-F834 VanDerWaalsContact CE2-CE2 3.49Å; F830-F834 HydrophobicContact CE2-CZ 4.41Å; F830-F834 HydrophobicContact CG-CD2 4.33Å; F830-F834 HydrophobicContact CG-CE2 4.29Å; F830-F834 AromaticContact CZ-CD2 3.7Å; F830-F834 HydrophobicContact CZ-CD2 3.7Å; F830-F834 AromaticContact CZ-CE2 3.38Å; F830-F834 HydrophobicContact CZ-CE2 3.38Å; F830-F834 HydrophobicContact CZ-CZ 4.32Å; F830-F834 VanDerWaalsContact O-CD2 3.22Å; F830-F834 WeakPolarHBondContact O-CD2 3.44Å; F830-F834 PolarHBondContact O-N 2.84Å; F831-F834 PolarHBondContact O-N 2.91Å; D832-F834 VanDerWaalsContact C-N 3.29Å; D832-F834 PolarHBondContact O-N 2.76Å
835	F	98.1	Very high	92.9	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-149	-18.4	-178.1	60.6	-99	0	0	0	118.8	I711 S712 M715 W759 M763 R786 F831 D832	I711-F835 CarbonylContact C-O 3.34Å; I711-F835 WeakPolarHBondContact CA-O 3.41Å; I711-F835 HydrophobicContact CG2-CD2 4.22Å; S712-F835 PolarHBondContact N-O 3.24Å; S712-F835 WeakPolarHBondContact OG-CB 3.21Å; M715-F835 HydrophobicContact CB-CB 3.75Å; M715-F835 HydrophobicContact CB-CG 4.18Å; M715-F835 HydrophobicContact CE-CB 4.35Å; M715-F835 HydrophobicContact CE-CD1 3.57Å; M715-F835 HydrophobicContact CE-CE1 3.95Å; M715-F835 HydrophobicContact CE-CG 4.02Å; M715-F835 HydrophobicContact CG-CB 3.94Å; M715-F835 HydrophobicContact CG-CD1 4.28Å; M715-F835 HydrophobicContact CG-CD2 3.84Å; M715-F835 HydrophobicContact CG-CE2 4.36Å; M715-F835 HydrophobicContact CG-CG 3.79Å; W759-F835 HydrophobicContact CB-CE1 4.34Å; W759-F835 HydrophobicContact CB-CZ 4.1Å; W759-F835 HydrophobicContact CD2-CE1 4.26Å; W759-F835 AromaticContact CD2-CE2 3.86Å; W759-F835 HydrophobicContact CD2-CE2 3.86Å; W759-F835 AromaticContact CD2-CZ 3.34Å; W759-F835 HydrophobicContact CD2-CZ 3.34Å; W759-F835 AromaticContact CE2-CZ 3.96Å; W759-F835 HydrophobicContact CE3-CE1 4.08Å; W759-F835 AromaticContact CE3-CE2 3.67Å; W759-F835 HydrophobicContact CE3-CE2 3.67Å; W759-F835 AromaticContact CE3-CZ 3.36Å; W759-F835 HydrophobicContact CE3-CZ 3.36Å; W759-F835 HydrophobicContact CG-CE1 4.37Å; W759-F835 AromaticContact CG-CZ 3.66Å; W759-F835 HydrophobicContact CG-CZ 3.66Å; W759-F835 HydrophobicContact CH2-CE2 4.08Å; W759-F835 HydrophobicContact CZ2-CE2 4.25Å; W759-F835 HydrophobicContact CZ3-CD2 4.49Å; W759-F835 AromaticContact CZ3-CE2 3.78Å; W759-F835 HydrophobicContact CZ3-CE2 3.78Å; W759-F835 AromaticContact CZ3-CZ 3.99Å; W759-F835 HydrophobicContact CZ3-CZ 3.99Å; M763-F835 HydrophobicContact SD-CD1 4.39Å; M763-F835 HydrophobicContact SD-CE1 4.19Å; R786-F835 PolarHBondContact NH1-O 3.4Å; F831-F835 HydrophobicContact CB-CE1 3.64Å; F831-F835 HydrophobicContact CB-CZ 3.67Å; F831-F835 AromaticContact CD1-CE1 3.95Å; F831-F835 HydrophobicContact CD1-CE1 3.95Å; F831-F835 HydrophobicContact CD1-CZ 4.45Å; F831-F835 HydrophobicContact CG-CE1 4.15Å; F831-F835 HydrophobicContact CG-CZ 4.29Å; F831-F835 WeakPolarHBondContact O-CD1 3.24Å; F831-F835 VanDerWaalsContact O-CE1 3.24Å; F831-F835 WeakPolarHBondContact O-CE1 3.45Å; F831-F835 PolarHBondContact O-N 3.37Å; F831-F835 VanDerWaalsContact O-N 3.15Å; D832-F835 PolarHBondContact O-N 3.15Å
836	N	97.7	Very high	92.4	Very high	2 Å²	2	37.3 Å²	37.3	1%	0.011	18%	0.175	C	C	.	.	B	Isolated β-bridge	trans	-109.2	91.6	176.7	-171.5	-43	0	0	0	110.4	E747 D832 P838 K839 Y840	E747-N836 PolarHBondContact OE1-ND2 3.21Å; D832-N836 HydrophobicContact CB-CB 4.33Å; D832-N836 CarbonylContact O-C 3.55Å; D832-N836 PolarHBondContact O-N 2.86Å; D832-N836 VanDerWaalsContact O-O 3.04Å; N836-P838 WeakPolarHBondContact OD1-CD 3.27Å; N836-K839 HydrophobicContact CB-CB 4.32Å; N836-K839 PolarHBondContact O-N 2.68Å; N836-K839 WeakPolarHBondContact OD1-CB 3.37Å; N836-K839 PolarHBondContact OD1-N 3.46Å; N836-Y840 WeakPolarHBondContact O-CB 3.39Å; N836-Y840 PolarHBondContact O-N 3.39Å
837	L	95.1	Very high	91	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-62.4	-44.8	-175.8	179.8	59.4	0	0	0	113.3	A710 R786 M787 M790 K839 Y840 L841	A710-L837 PolarHBondContact O-N 2.79Å; R786-L837 HydrophobicContact CB-CD2 3.59Å; M787-L837 HydrophobicContact CG-CD1 3.58Å; M787-L837 HydrophobicContact CG-CD2 4.31Å; M787-L837 HydrophobicContact SD-CD1 4.21Å; M790-L837 HydrophobicContact CE-CD2 3.67Å; M790-L837 HydrophobicContact SD-CD2 3.79Å; L837-K839 PolarHBondContact O-N 3.15Å; L837-Y840 HydrophobicContact CD1-CD1 4.19Å; L837-Y840 PolarHBondContact O-N 3.19Å; L837-L841 HydrophobicContact CD1-CD1 3.88Å; L837-L841 HydrophobicContact CD1-CD2 4.26Å; L837-L841 HydrophobicContact CD1-CG 3.82Å; L837-L841 HydrophobicContact CG-CD1 4.01Å; L837-L841 HydrophobicContact CG-CG 4.39Å; L837-L841 WeakPolarHBondContact O-CG 3.41Å; L837-L841 PolarHBondContact O-N 2.9Å
838	P	94.8	Very high	89.4	Confident	50 Å²	50	42.3 Å²	42.3	33%	0.325	21%	0.208	S	C	.	.	H	α-helix	trans	-57.9	-43.9	175.2	-29.1	37.3	0	0	0	114.5	A710 N836 Q842	A710-P838 HydrophobicContact CB-CG 3.82Å; A710-P838 WeakPolarHBondContact O-CD 3.37Å; N836-P838 WeakPolarHBondContact OD1-CD 3.27Å; P838-Q842 WeakPolarHBondContact O-CG 3.47Å; P838-Q842 PolarHBondContact O-N 3.5Å
839	K	94.9	Very high	88	Confident	37 Å²	37	46.2 Å²	46.2	16%	0.161	22%	0.224	C	C	.	.	H	α-helix	trans	-70.4	-38.5	177.4	-70.8	-179.4	177.8	165.7	0	111.6	E747 E748 D832 N836 L837 L841 Q842 H843	E747-K839 PolarHBondContact O-NZ 3.07Å; E747-K839 IonicContact OE1-NZ 3.93Å; E747-K839 PolarHBondContact OE1-NZ 3.38Å; E748-K839 IonicContact OE2-NZ 3.98Å; E748-K839 PolarHBondContact OE2-NZ 3.11Å; D832-K839 HydrophobicContact CB-CB 3.93Å; D832-K839 VanDerWaalsContact CG-CB 3.44Å; D832-K839 WeakPolarHBondContact OD2-CB 3.37Å; N836-K839 HydrophobicContact CB-CB 4.32Å; N836-K839 PolarHBondContact O-N 2.68Å; N836-K839 WeakPolarHBondContact OD1-CB 3.37Å; N836-K839 PolarHBondContact OD1-N 3.46Å; L837-K839 PolarHBondContact O-N 3.15Å; K839-L841 PolarHBondContact O-N 3.34Å; K839-Q842 WeakPolarHBondContact O-CB 3.4Å; K839-Q842 PolarHBondContact O-N 2.69Å; K839-Q842 VanDerWaalsContact O-N 3.16Å; K839-H843 PolarHBondContact O-CD2 3.24Å; K839-H843 PolarHBondContact O-N 2.86Å; K839-H843 VanDerWaalsContact O-N 3.09Å
840	Y	94.1	Very high	86.5	Confident	8 Å²	8	46.7 Å²	46.7	3%	0.031	23%	0.232	C	C	.	.	H	α-helix	trans	-57.2	-48.5	173.8	175.7	-127.4	0	0	0	112.4	M787 T833 N836 L837 Q842 H843 E844	M787-Y840 HydrophobicContact CE-CE1 4.39Å; M787-Y840 HydrophobicContact SD-CE1 4.02Å; T833-Y840 HydrophobicContact CG2-CD2 4.22Å; T833-Y840 HydrophobicContact CG2-CE2 4.01Å; T833-Y840 WeakPolarHBondContact OG1-CD2 3.32Å; T833-Y840 VanDerWaalsContact OG1-CE2 3.31Å; T833-Y840 WeakPolarHBondContact OG1-CE2 3.46Å; N836-Y840 WeakPolarHBondContact O-CB 3.39Å; N836-Y840 PolarHBondContact O-N 3.39Å; L837-Y840 HydrophobicContact CD1-CD1 4.19Å; L837-Y840 PolarHBondContact O-N 3.19Å; Y840-Q842 PolarHBondContact O-N 2.9Å; Y840-H843 PolarHBondContact O-N 3.31Å; Y840-E844 HydrophobicContact CD2-CG 4.14Å; Y840-E844 HydrophobicContact CE1-CG 4.25Å; Y840-E844 HydrophobicContact CE2-CG 3.51Å; Y840-E844 WeakPolarHBondContact CE2-OE1 3.47Å; Y840-E844 VanDerWaalsContact CZ-OE1 3.23Å; Y840-E844 PolarHBondContact O-N 3.4Å; Y840-E844 VanDerWaalsContact OH-CD 3.31Å; Y840-E844 PolarHBondContact OH-OE1 3.28Å
841	L	92.4	Very high	84.8	Confident	37 Å²	37	48.7 Å²	48.7	19%	0.194	24%	0.242	C	C	.	.	H	α-helix	trans	-65.5	-24.5	178.8	-66.3	173.5	0	0	0	113.3	I792 L837 K839 Q845	I792-L841 HydrophobicContact CD1-CD1 3.63Å; I792-L841 HydrophobicContact CD1-CD2 3.84Å; I792-L841 HydrophobicContact CD1-CG 4.41Å; L837-L841 HydrophobicContact CD1-CD1 3.88Å; L837-L841 HydrophobicContact CD1-CD2 4.26Å; L837-L841 HydrophobicContact CD1-CG 3.82Å; L837-L841 HydrophobicContact CG-CD1 4.01Å; L837-L841 HydrophobicContact CG-CG 4.39Å; L837-L841 WeakPolarHBondContact O-CG 3.41Å; L837-L841 PolarHBondContact O-N 2.9Å; K839-L841 PolarHBondContact O-N 3.34Å; L841-Q845 WeakPolarHBondContact O-CG 3.44Å; L841-Q845 PolarHBondContact O-N 3.02Å; L841-Q845 PolarHBondContact O-NE2 2.91Å
842	Q	90	Very high	83	Confident	127 Å²	127	53.6 Å²	53.6	59%	0.593	27%	0.268	S	S	*	.	H	α-helix	trans	-74.3	-35.2	171.1	-69.4	170.2	19.9	0	0	112.2	P838 K839 Y840 R846	P838-Q842 WeakPolarHBondContact O-CG 3.47Å; P838-Q842 PolarHBondContact O-N 3.5Å; K839-Q842 WeakPolarHBondContact O-CB 3.4Å; K839-Q842 PolarHBondContact O-N 2.69Å; K839-Q842 VanDerWaalsContact O-N 3.16Å; Y840-Q842 PolarHBondContact O-N 2.9Å; Q842-R846 PolarHBondContact O-N 2.85Å
843	H	86.3	Confident	81.3	Confident	35 Å²	35	60.8 Å²	60.8	16%	0.162	30%	0.295	C	S	.	.	H	α-helix	trans	-69.3	-43.2	175.6	-61.5	-46.2	0	0	0	111.9	H828 I829 D832 K839 Y840 Q845 R846	H828-H843 AromaticContact CD2-CE1 3.82Å; I829-H843 HydrophobicContact CG2-CB 4.12Å; D832-H843 IonicContact OD2-CD2 3.61Å; D832-H843 IonicContact OD2-CE1 3.86Å; D832-H843 IonicContact OD2-NE2 2.78Å; D832-H843 PolarHBondContact OD2-NE2 3.43Å; K839-H843 PolarHBondContact O-CD2 3.24Å; K839-H843 PolarHBondContact O-N 2.86Å; K839-H843 VanDerWaalsContact O-N 3.09Å; Y840-H843 PolarHBondContact O-N 3.31Å; H843-Q845 VanDerWaalsContact C-N 3.31Å; H843-Q845 PolarHBondContact O-N 3.26Å; H843-R846 VanDerWaalsContact O-CB 3.29Å; H843-R846 WeakPolarHBondContact O-CB 3.22Å; H843-R846 PolarHBondContact O-N 2.99Å; H843-R846 VanDerWaalsContact O-N 3.11Å
844	E	83.7	Confident	79.5	Confident	98 Å²	98	64.6 Å²	64.6	46%	0.458	31%	0.313	S	S	.	.	H	α-helix	trans	-61.7	-34.5	176	-72.8	-69.1	157.6	0	0	113	Y840 R846	Y840-E844 HydrophobicContact CD2-CG 4.14Å; Y840-E844 HydrophobicContact CE1-CG 4.25Å; Y840-E844 HydrophobicContact CE2-CG 3.51Å; Y840-E844 WeakPolarHBondContact CE2-OE1 3.47Å; Y840-E844 VanDerWaalsContact CZ-OE1 3.23Å; Y840-E844 PolarHBondContact O-N 3.4Å; Y840-E844 VanDerWaalsContact OH-CD 3.31Å; Y840-E844 PolarHBondContact OH-OE1 3.28Å; E844-R846 VanDerWaalsContact C-N 3.28Å; E844-R846 PolarHBondContact O-N 3.26Å
845	Q	79.6	Confident	77.7	Confident	124 Å²	124	69.6 Å²	69.6	58%	0.579	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.4	-8.6	176.3	-73.8	178	58.4	0	0	113.9	L841 H843	L841-Q845 WeakPolarHBondContact O-CG 3.44Å; L841-Q845 PolarHBondContact O-N 3.02Å; L841-Q845 PolarHBondContact O-NE2 2.91Å; H843-Q845 VanDerWaalsContact C-N 3.31Å; H843-Q845 PolarHBondContact O-N 3.26Å
846	R	74.7	Confident	75.8	Confident	146 Å²	146	72.7 Å²	72.7	55%	0.551	35%	0.354	S	S	*	.	S	Bend	trans	-84	140.7	-176	-158.8	175.4	-174.9	117.2	-2	110.5	Q842 H843 E844 P848 A850	Q842-R846 PolarHBondContact O-N 2.85Å; H843-R846 VanDerWaalsContact O-CB 3.29Å; H843-R846 WeakPolarHBondContact O-CB 3.22Å; H843-R846 PolarHBondContact O-N 2.99Å; H843-R846 VanDerWaalsContact O-N 3.11Å; E844-R846 VanDerWaalsContact C-N 3.28Å; E844-R846 PolarHBondContact O-N 3.26Å; R846-P848 VanDerWaalsContact O-CD 3.31Å; R846-P848 WeakPolarHBondContact O-CD 3.31Å; R846-P848 VanDerWaalsContact O-N 3.14Å; R846-A850 HydrophobicContact CG-CB 4.29Å
847	D	62.8	Low	74.1	Confident	71 Å²	71	75.8 Å²	75.8	38%	0.38	37%	0.37	S	S	.	.			trans	-50.9	119.9	173.3	173.1	9.4	0	0	0	110.2	F849 A850	D847-F849 PolarHBondContact O-N 3.34Å; D847-F849 WeakPolarHBondContact OD1-CB 3.14Å; D847-F849 VanDerWaalsContact OD1-CD2 3.25Å; D847-F849 WeakPolarHBondContact OD1-CD2 3.28Å; D847-F849 PolarHBondContact OD1-N 3.01Å; D847-A850 HydrophobicContact CB-CB 4.27Å; D847-A850 WeakPolarHBondContact O-CB 3.41Å; D847-A850 PolarHBondContact O-N 3.47Å
848	P	59.6	Low	72.4	Confident	96 Å²	96	78 Å²	78	62%	0.623	38%	0.381	S	S	*	.	H	α-helix	trans	-55.4	-27.1	177.6	-28.2	36.3	0	0	0	113.4	R846 A850	R846-P848 VanDerWaalsContact O-CD 3.31Å; R846-P848 WeakPolarHBondContact O-CD 3.31Å; R846-P848 VanDerWaalsContact O-N 3.14Å; P848-A850 VanDerWaalsContact C-N 3.32Å
849	F	63.4	Low	70.5	Confident	108 Å²	108	78.4 Å²	78.4	47%	0.474	38%	0.38	S	S	.	.	H	α-helix	trans	-74.8	-17.3	174.5	-59.6	-68.3	0	0	0	113.6	W28 D847 L852 R853	W28-F849 HydrophobicContact CZ2-CZ 4.35Å; D847-F849 PolarHBondContact O-N 3.34Å; D847-F849 WeakPolarHBondContact OD1-CB 3.14Å; D847-F849 VanDerWaalsContact OD1-CD2 3.25Å; D847-F849 WeakPolarHBondContact OD1-CD2 3.28Å; D847-F849 PolarHBondContact OD1-N 3.01Å; F849-L852 HydrophobicContact CD1-CD1 4.32Å; F849-R853 WeakPolarHBondContact O-CB 3.24Å; F849-R853 WeakPolarHBondContact O-CG 3.44Å; F849-R853 PolarHBondContact O-N 3.41Å
850	A	63.5	Low	68.7	Low	31 Å²	31	82.6 Å²	82.6	26%	0.256	40%	0.4	S	S	.	.	H	α-helix	trans	-65.8	-46.4	176.8	0	0	0	0	0	111.5	R846 D847 P848 L852 R853 M854	R846-A850 HydrophobicContact CG-CB 4.29Å; D847-A850 HydrophobicContact CB-CB 4.27Å; D847-A850 WeakPolarHBondContact O-CB 3.41Å; D847-A850 PolarHBondContact O-N 3.47Å; P848-A850 VanDerWaalsContact C-N 3.32Å; A850-L852 VanDerWaalsContact C-N 3.34Å; A850-L852 PolarHBondContact O-N 3.06Å; A850-R853 PolarHBondContact O-N 3.18Å; A850-M854 PolarHBondContact O-N 3.11Å
851	N	61.6	Low	66.7	Low	41 Å²	41	86.3 Å²	86.3	22%	0.219	42%	0.417	C	S	.	.	H	α-helix	trans	-69.6	-34.8	-179.8	-63.2	-6.2	0	0	0	111.1	I829 M854 F855	I829-N851 WeakPolarHBondContact CD1-ND2 3.44Å; N851-M854 PolarHBondContact O-N 3.24Å; N851-F855 WeakPolarHBondContact O-CB 3.48Å; N851-F855 PolarHBondContact O-N 2.9Å
852	L	59.7	Low	64.7	Low	103 Å²	103	90.4 Å²	90.4	54%	0.539	44%	0.435	S	S	.	.	H	α-helix	trans	-65	-42.3	170.2	-82.8	159.5	0	0	0	112.8	F849 A850 F855 T856	F849-L852 HydrophobicContact CD1-CD1 4.32Å; A850-L852 VanDerWaalsContact C-N 3.34Å; A850-L852 PolarHBondContact O-N 3.06Å; L852-F855 PolarHBondContact O-N 2.93Å; L852-T856 PolarHBondContact O-N 2.93Å; L852-T856 PolarHBondContact O-OG1 3.13Å
853	R	60	Low	62.5	Low	157 Å²	157	91.7 Å²	91.7	59%	0.592	45%	0.446	S	S	*	.	H	α-helix	trans	-63.4	-43.5	174	-74.7	173.4	-155.3	-173.8	13.4	111.2	F849 A850 F855 T856 I857	F849-R853 WeakPolarHBondContact O-CB 3.24Å; F849-R853 WeakPolarHBondContact O-CG 3.44Å; F849-R853 PolarHBondContact O-N 3.41Å; A850-R853 PolarHBondContact O-N 3.18Å; R853-F855 VanDerWaalsContact C-N 3.33Å; R853-F855 PolarHBondContact O-N 3.36Å; R853-T856 PolarHBondContact O-N 3.43Å; R853-I857 WeakPolarHBondContact O-CB 3.42Å; R853-I857 WeakPolarHBondContact O-CD1 3.33Å; R853-I857 VanDerWaalsContact O-CG1 3.22Å; R853-I857 WeakPolarHBondContact O-CG1 3.17Å; R853-I857 PolarHBondContact O-N 2.6Å
854	M	60.4	Low	60.8	Low	86 Å²	86	96.3 Å²	96.3	42%	0.424	47%	0.471	S	S	.	.	H	α-helix	trans	-60.1	-43.9	175.6	-160.4	70.7	-174.3	0	0	110.9	A850 N851 T856 I857 I858 E870	A850-M854 PolarHBondContact O-N 3.11Å; N851-M854 PolarHBondContact O-N 3.24Å; M854-T856 PolarHBondContact O-N 2.87Å; M854-I857 PolarHBondContact O-N 3.31Å; M854-I858 HydrophobicContact CE-CD1 4.33Å; M854-I858 HydrophobicContact CG-CD1 3.9Å; M854-I858 HydrophobicContact CG-CG1 4.5Å; M854-I858 WeakPolarHBondContact O-CB 3.34Å; M854-I858 VanDerWaalsContact O-CG1 3.24Å; M854-I858 WeakPolarHBondContact O-CG1 3.43Å; M854-I858 PolarHBondContact O-N 3.13Å; M854-E870 WeakPolarHBondContact CE-OE2 3.45Å
855	F	59.6	Low	58.6	Low	104 Å²	104	96.7 Å²	96.7	46%	0.456	47%	0.472	S	S	.	.	H	α-helix	trans	-59.7	-45.5	174.2	178.5	-96.2	0	0	0	112.7	N851 L852 R853 N859	N851-F855 WeakPolarHBondContact O-CB 3.48Å; N851-F855 PolarHBondContact O-N 2.9Å; L852-F855 PolarHBondContact O-N 2.93Å; R853-F855 VanDerWaalsContact C-N 3.33Å; R853-F855 PolarHBondContact O-N 3.36Å; F855-N859 WeakPolarHBondContact CD1-ND2 3.1Å; F855-N859 WeakPolarHBondContact CE1-ND2 3.4Å; F855-N859 WeakPolarHBondContact CZ-ND2 3.24Å; F855-N859 PolarHBondContact O-N 3.17Å; F855-N859 VanDerWaalsContact O-N 3.12Å; F855-N859 PolarHBondContact O-ND2 3.27Å
856	T	58.7	Low	56.8	Low	65 Å²	65	100.8 Å²	100.8	40%	0.399	49%	0.492	S	S	.	.	H	α-helix	trans	-60.9	-49.9	175	-61.1	0	0	0	0	111.2	L852 R853 M854 I858 N859 E860	L852-T856 PolarHBondContact O-N 2.93Å; L852-T856 PolarHBondContact O-OG1 3.13Å; R853-T856 PolarHBondContact O-N 3.43Å; M854-T856 PolarHBondContact O-N 2.87Å; T856-I858 PolarHBondContact O-N 3.43Å; T856-N859 PolarHBondContact O-N 3.46Å; T856-N859 VanDerWaalsContact O-N 3.16Å; T856-E860 HydrophobicContact CG2-CG 4.22Å; T856-E860 WeakPolarHBondContact O-CG 3.33Å; T856-E860 PolarHBondContact O-N 3.31Å
857	I	60.8	Low	55.1	Low	67 Å²	67	96.8 Å²	96.8	34%	0.344	50%	0.496	S	S	.	.	H	α-helix	trans	-58.9	-44.5	-179.6	-70.5	164.4	0	0	0	111.3	R853 M854 N859 E860 K861	R853-I857 WeakPolarHBondContact O-CB 3.42Å; R853-I857 WeakPolarHBondContact O-CD1 3.33Å; R853-I857 VanDerWaalsContact O-CG1 3.22Å; R853-I857 WeakPolarHBondContact O-CG1 3.17Å; R853-I857 PolarHBondContact O-N 2.6Å; M854-I857 PolarHBondContact O-N 3.31Å; I857-N859 PolarHBondContact O-N 3.39Å; I857-E860 PolarHBondContact O-N 3.16Å; I857-K861 HydrophobicContact CG2-CD 3.79Å; I857-K861 HydrophobicContact CG2-CG 4.27Å; I857-K861 VanDerWaalsContact O-CB 3.27Å; I857-K861 WeakPolarHBondContact O-CB 3.27Å; I857-K861 VanDerWaalsContact O-CG 3.29Å; I857-K861 WeakPolarHBondContact O-CG 3.31Å; I857-K861 PolarHBondContact O-N 2.95Å
858	I	60.9	Low	53.9	Low	48 Å²	48	98.6 Å²	98.6	25%	0.246	51%	0.505	C	S	.	.	H	α-helix	trans	-62.9	-43.1	177.7	-68.3	164.7	0	0	0	110.7	M854 T856 Q862	M854-I858 HydrophobicContact CE-CD1 4.33Å; M854-I858 HydrophobicContact CG-CD1 3.9Å; M854-I858 HydrophobicContact CG-CG1 4.5Å; M854-I858 WeakPolarHBondContact O-CB 3.34Å; M854-I858 VanDerWaalsContact O-CG1 3.24Å; M854-I858 WeakPolarHBondContact O-CG1 3.43Å; M854-I858 PolarHBondContact O-N 3.13Å; T856-I858 PolarHBondContact O-N 3.43Å; I858-Q862 HydrophobicContact CG2-CG 4.28Å; I858-Q862 WeakPolarHBondContact O-CB 3.43Å; I858-Q862 VanDerWaalsContact O-CG 3.27Å; I858-Q862 WeakPolarHBondContact O-CG 3.26Å; I858-Q862 PolarHBondContact O-N 3.03Å
859	N	54.9	Low	53.2	Low	57 Å²	57	101.1 Å²	101.1	31%	0.305	51%	0.513	S	S	.	.	H	α-helix	trans	-66	-44.7	176.8	-71.5	-55.3	0	0	0	112.5	R825 F855 T856 I857 K861 Q862	R825-N859 VanDerWaalsContact CZ-OD1 3.3Å; R825-N859 PolarHBondContact NH1-ND2 3.17Å; R825-N859 VanDerWaalsContact NH1-ND2 3.11Å; R825-N859 PolarHBondContact NH1-OD1 3.14Å; R825-N859 PolarHBondContact NH2-OD1 2.98Å; F855-N859 WeakPolarHBondContact CD1-ND2 3.1Å; F855-N859 WeakPolarHBondContact CE1-ND2 3.4Å; F855-N859 WeakPolarHBondContact CZ-ND2 3.24Å; F855-N859 PolarHBondContact O-N 3.17Å; F855-N859 VanDerWaalsContact O-N 3.12Å; F855-N859 PolarHBondContact O-ND2 3.27Å; T856-N859 PolarHBondContact O-N 3.46Å; T856-N859 VanDerWaalsContact O-N 3.16Å; I857-N859 PolarHBondContact O-N 3.39Å; N859-K861 VanDerWaalsContact C-N 3.31Å; N859-K861 PolarHBondContact O-N 2.91Å; N859-Q862 PolarHBondContact O-N 3.16Å
860	E	55.8	Low	53	Low	125 Å²	125	100.6 Å²	100.6	58%	0.584	51%	0.512	S	S	*	.	H	α-helix	trans	-68	-29.5	179.6	-69.6	179.1	162.5	0	0	112.6	T856 I857 I864	T856-E860 HydrophobicContact CG2-CG 4.22Å; T856-E860 WeakPolarHBondContact O-CG 3.33Å; T856-E860 PolarHBondContact O-N 3.31Å; I857-E860 PolarHBondContact O-N 3.16Å; E860-I864 WeakPolarHBondContact O-CD1 3.17Å; E860-I864 WeakPolarHBondContact O-CG1 3.22Å
861	K	53.5	Low	53.5	Low	86 Å²	86	103.3 Å²	103.3	37%	0.374	52%	0.522	S	S	.	.	H	α-helix	trans	-80.5	-36.6	175	-75.1	-177.4	176.2	-175.5	0	113.9	I857 N859 D863 I864 E865 E870	I857-K861 HydrophobicContact CG2-CD 3.79Å; I857-K861 HydrophobicContact CG2-CG 4.27Å; I857-K861 VanDerWaalsContact O-CB 3.27Å; I857-K861 WeakPolarHBondContact O-CB 3.27Å; I857-K861 VanDerWaalsContact O-CG 3.29Å; I857-K861 WeakPolarHBondContact O-CG 3.31Å; I857-K861 PolarHBondContact O-N 2.95Å; N859-K861 VanDerWaalsContact C-N 3.31Å; N859-K861 PolarHBondContact O-N 2.91Å; K861-D863 PolarHBondContact O-N 3.27Å; K861-I864 PolarHBondContact O-N 3.45Å; K861-E865 PolarHBondContact O-N 3.27Å; K861-E865 VanDerWaalsContact O-N 3.13Å; K861-E870 IonicContact NZ-OE1 2.6Å; K861-E870 PolarHBondContact NZ-OE1 3.22Å
862	Q	49.1	Very low	54.9	Low	124 Å²	124	103.2 Å²	103.2	58%	0.579	52%	0.524	S	S	*	.	H	α-helix	trans	-61.4	-26.5	-178.8	-82.3	-166	-75.2	0	0	113.1	I858 N859	I858-Q862 HydrophobicContact CG2-CG 4.28Å; I858-Q862 WeakPolarHBondContact O-CB 3.43Å; I858-Q862 VanDerWaalsContact O-CG 3.27Å; I858-Q862 WeakPolarHBondContact O-CG 3.26Å; I858-Q862 PolarHBondContact O-N 3.03Å; N859-Q862 PolarHBondContact O-N 3.16Å
863	D	44.4	Very low	56.4	Low	154 Å²	154	100.4 Å²	100.4	82%	0.824	51%	0.51	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.9	-3	175	-78	-16.6	0	0	0	113.9	K861	K861-D863 PolarHBondContact O-N 3.27Å
864	I	50.1	Low	58.1	Low	132 Å²	132	93.4 Å²	93.4	68%	0.677	48%	0.483	S	S	*	.	T	Hydrogen-bonded Turn	trans	-124.8	-48.1	-166.6	-62.2	-177.1	0	0	0	114.4	E860 K861	E860-I864 WeakPolarHBondContact O-CD1 3.17Å; E860-I864 WeakPolarHBondContact O-CG1 3.22Å; K861-I864 PolarHBondContact O-N 3.45Å
865	E	38	Very low	59.8	Low	105 Å²	105	90.6 Å²	90.6	49%	0.491	47%	0.47	S	S	.	.			trans	-141.5	101.7	-175.8	-83.6	177.6	142.8	0	0	114	K861 G867 L868	K861-E865 PolarHBondContact O-N 3.27Å; K861-E865 VanDerWaalsContact O-N 3.13Å; E865-G867 PolarHBondContact O-N 3.09Å; E865-L868 WeakPolarHBondContact OE2-CD1 3.4Å
866	E	41	Very low	61.5	Low	211 Å²	211	90.4 Å²	90.4	99%	0.986	47%	0.466	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.9	28.4	168.9	-60.1	-176.6	122.3	0	0	113.5
867	G	39.5	Very low	63.3	Low	62 Å²	62	89 Å²	89	64%	0.639	45%	0.454	S	S	*	.	T	Hydrogen-bonded Turn	trans	-156.1	5	-165.9	0	0	0	0	0	117.7	E865	E865-G867 PolarHBondContact O-N 3.09Å
868	L	37.5	Very low	65	Low	108 Å²	108	85.8 Å²	85.8	57%	0.565	44%	0.438	S	S	*	.			trans	-91.2	110.6	165.5	-79.3	-178.1	0	0	0	109.7	E865 E870	E865-L868 WeakPolarHBondContact OE2-CD1 3.4Å; L868-E870 PolarHBondContact O-N 2.95Å
869	N	44.5	Very low	66.6	Low	150 Å²	150	85.8 Å²	85.8	80%	0.802	45%	0.445	S	S	*	.			trans	-65.3	92.6	173.2	-76	3.9	0	0	0	110.8	L871	N869-L871 PolarHBondContact O-N 3.36Å
870	E	60.1	Low	68.5	Low	97 Å²	97	88.4 Å²	88.4	45%	0.453	46%	0.455	S	S	.	.			trans	-69.7	109.1	143.2	-71.1	-174.5	-178	0	0	106.5	M854 K861 L868 S872	M854-E870 WeakPolarHBondContact CE-OE2 3.45Å; K861-E870 IonicContact NZ-OE1 2.6Å; K861-E870 PolarHBondContact NZ-OE1 3.22Å; L868-E870 PolarHBondContact O-N 2.95Å; E870-S872 PolarHBondContact O-N 3.47Å
871	L	74.4	Confident	70.4	Confident	88 Å²	88	83 Å²	83	46%	0.461	43%	0.43	S	S	.	.			trans	-54	133.2	177.1	-72.6	166.9	0	0	0	109.6	N869 D875 R876	N869-L871 PolarHBondContact O-N 3.36Å; L871-D875 HydrophobicContact CB-CB 4.3Å; L871-D875 HydrophobicContact CD2-CB 3.98Å; L871-R876 PolarHBondContact O-NH2 3.45Å
872	S	89.6	Confident	72.4	Confident	39 Å²	39	81.1 Å²	81.1	27%	0.273	42%	0.421	S	S	.	.			trans	-58.7	158.8	176.1	69.1	0	0	0	0	110.5	E870 W874 D875 R876	E870-S872 PolarHBondContact O-N 3.47Å; S872-W874 PolarHBondContact O-N 3.29Å; S872-D875 WeakPolarHBondContact CB-OD2 3.46Å; S872-D875 PolarHBondContact N-OD2 2.91Å; S872-D875 PolarHBondContact O-N 3.18Å; S872-D875 VanDerWaalsContact O-N 3.12Å; S872-D875 PolarHBondContact OG-N 3.03Å; S872-D875 PolarHBondContact OG-OD2 3.16Å; S872-R876 WeakPolarHBondContact O-CB 3.44Å; S872-R876 PolarHBondContact O-N 3.38Å
873	D	91.9	Very high	74.6	Confident	43 Å²	43	81.1 Å²	81.1	23%	0.23	42%	0.421	C	S	.	.	H	α-helix	trans	-62.2	-30.2	178.4	-64.8	-37.1	0	0	0	110.6	D749 H751 R876 Y877	D749-D873 HydrophobicContact CB-CB 4.32Å; H751-D873 IonicContact CE1-OD2 3.39Å; H751-D873 PolarHBondContact CE1-OD2 3.35Å; H751-D873 IonicContact CG-OD2 3.12Å; H751-D873 IonicContact ND1-OD2 2.76Å; H751-D873 PolarHBondContact ND1-OD2 2.89Å; D873-R876 IonicContact OD1-CZ 3.2Å; D873-R876 IonicContact OD1-NH1 2.72Å; D873-R876 PolarHBondContact OD1-NH1 3.36Å; D873-R876 IonicContact OD1-NH2 2.81Å; D873-R876 PolarHBondContact OD1-NH2 2.81Å; D873-Y877 VanDerWaalsContact O-CB 3.25Å; D873-Y877 WeakPolarHBondContact O-CB 3.38Å; D873-Y877 PolarHBondContact O-N 2.82Å
874	W	96.5	Very high	76.9	Confident	11 Å²	11	79.2 Å²	79.2	4%	0.042	41%	0.409	C	S	.	.	H	α-helix	trans	-63.6	-53.4	168.3	173.9	-92.9	0	0	0	113.2	H679 I683 L744 L745 E748 D749 S872 R876 Y877 A878	H679-W874 HydrophobicContact CB-CZ2 4.31Å; H679-W874 AromaticContact CE1-CD1 3.93Å; H679-W874 AromaticContact CE1-NE1 3.57Å; H679-W874 AromaticContact CG-NE1 3.67Å; H679-W874 AromaticContact ND1-CD1 3.78Å; H679-W874 AromaticContact ND1-NE1 3.05Å; H679-W874 PolarHBondContact ND1-NE1 3.48Å; I683-W874 HydrophobicContact CD1-CH2 3.96Å; I683-W874 HydrophobicContact CD1-CZ2 3.82Å; I683-W874 HydrophobicContact CG1-CH2 3.52Å; I683-W874 HydrophobicContact CG1-CZ2 3.83Å; L744-W874 HydrophobicContact CD2-CH2 4.46Å; L744-W874 HydrophobicContact CG-CZ3 4.17Å; L745-W874 HydrophobicContact CD2-CD2 3.63Å; L745-W874 HydrophobicContact CD2-CE3 3.81Å; L745-W874 HydrophobicContact CD2-CG 4.18Å; L745-W874 HydrophobicContact CD2-CH2 4.31Å; L745-W874 HydrophobicContact CD2-CZ2 4.14Å; L745-W874 HydrophobicContact CD2-CZ3 4.15Å; E748-W874 HydrophobicContact CB-CE3 4.34Å; D749-W874 HydrophobicContact CB-CB 3.99Å; S872-W874 PolarHBondContact O-N 3.29Å; W874-R876 PolarHBondContact O-N 3.43Å; W874-Y877 HydrophobicContact CE3-CD1 4.31Å; W874-Y877 HydrophobicContact CH2-CD1 4.28Å; W874-Y877 HydrophobicContact CH2-CE1 4.41Å; W874-Y877 AromaticContact CZ3-CD1 3.87Å; W874-Y877 HydrophobicContact CZ3-CD1 3.87Å; W874-Y877 HydrophobicContact CZ3-CE1 4.12Å; W874-Y877 PolarHBondContact O-N 3.42Å; W874-A878 HydrophobicContact CZ2-CB 3.99Å; W874-A878 WeakPolarHBondContact O-CB 3.29Å; W874-A878 PolarHBondContact O-N 2.87Å
875	D	95.4	Very high	78.8	Confident	26 Å²	26	74.8 Å²	74.8	14%	0.139	39%	0.386	C	S	.	.	H	α-helix	trans	-61.6	-35.2	-176	-57.1	-49.7	0	0	0	110.8	H679 L871 S872 A879	H679-D875 IonicContact CE1-OD1 2.82Å; H679-D875 PolarHBondContact CE1-OD1 3.31Å; H679-D875 VanDerWaalsContact CE1-OD1 3.3Å; L871-D875 HydrophobicContact CB-CB 4.3Å; L871-D875 HydrophobicContact CD2-CB 3.98Å; S872-D875 WeakPolarHBondContact CB-OD2 3.46Å; S872-D875 PolarHBondContact N-OD2 2.91Å; S872-D875 PolarHBondContact O-N 3.18Å; S872-D875 VanDerWaalsContact O-N 3.12Å; S872-D875 PolarHBondContact OG-N 3.03Å; S872-D875 PolarHBondContact OG-OD2 3.16Å; D875-A879 WeakPolarHBondContact O-CB 3.29Å; D875-A879 PolarHBondContact O-N 2.88Å; D875-A879 VanDerWaalsContact O-N 3.09Å
876	R	94.8	Very high	81.2	Confident	100 Å²	100	72.3 Å²	72.3	38%	0.377	38%	0.378	S	S	.	.	H	α-helix	trans	-68.4	-51.2	175.5	-165	-174.5	-42.1	116.3	20.3	111.9	L871 S872 D873 W874 A878 A879 E880	L871-R876 PolarHBondContact O-NH2 3.45Å; S872-R876 WeakPolarHBondContact O-CB 3.44Å; S872-R876 PolarHBondContact O-N 3.38Å; D873-R876 IonicContact OD1-CZ 3.2Å; D873-R876 IonicContact OD1-NH1 2.72Å; D873-R876 PolarHBondContact OD1-NH1 3.36Å; D873-R876 IonicContact OD1-NH2 2.81Å; D873-R876 PolarHBondContact OD1-NH2 2.81Å; W874-R876 PolarHBondContact O-N 3.43Å; R876-A878 VanDerWaalsContact C-N 3.28Å; R876-A878 PolarHBondContact O-N 3.11Å; R876-A879 PolarHBondContact O-N 2.85Å; R876-E880 VanDerWaalsContact CG-OE1 3.27Å; R876-E880 WeakPolarHBondContact CG-OE1 3.33Å; R876-E880 WeakPolarHBondContact O-CB 3.48Å; R876-E880 WeakPolarHBondContact O-CG 3.27Å; R876-E880 PolarHBondContact O-N 2.85Å
877	Y	96	Very high	83.4	Confident	36 Å²	36	67.3 Å²	67.3	14%	0.141	36%	0.358	C	S	.	.	H	α-helix	trans	-56.2	-42.9	175.8	171.8	-90.5	0	0	0	111.9	V682 E748 D873 W874 T881	V682-Y877 HydrophobicContact CG1-CD1 4.35Å; V682-Y877 HydrophobicContact CG1-CE1 3.74Å; E748-Y877 HydrophobicContact CB-CD1 4.21Å; E748-Y877 HydrophobicContact CB-CD2 4.23Å; E748-Y877 HydrophobicContact CB-CG 4.02Å; E748-Y877 HydrophobicContact CG-CD1 4.01Å; E748-Y877 HydrophobicContact CG-CD2 3.95Å; E748-Y877 HydrophobicContact CG-CE1 3.89Å; E748-Y877 HydrophobicContact CG-CE2 3.79Å; E748-Y877 HydrophobicContact CG-CG 4.04Å; E748-Y877 VanDerWaalsContact OE1-CE2 3.28Å; E748-Y877 WeakPolarHBondContact OE1-CE2 3.39Å; E748-Y877 PolarHBondContact OE1-OH 3Å; D873-Y877 VanDerWaalsContact O-CB 3.25Å; D873-Y877 WeakPolarHBondContact O-CB 3.38Å; D873-Y877 PolarHBondContact O-N 2.82Å; W874-Y877 HydrophobicContact CE3-CD1 4.31Å; W874-Y877 HydrophobicContact CH2-CD1 4.28Å; W874-Y877 HydrophobicContact CH2-CE1 4.41Å; W874-Y877 AromaticContact CZ3-CD1 3.87Å; W874-Y877 HydrophobicContact CZ3-CD1 3.87Å; W874-Y877 HydrophobicContact CZ3-CE1 4.12Å; W874-Y877 PolarHBondContact O-N 3.42Å; Y877-T881 WeakPolarHBondContact O-CB 3.4Å; Y877-T881 PolarHBondContact O-N 3.22Å; Y877-T881 PolarHBondContact O-OG1 3.45Å
878	A	97	Very high	85.3	Confident	0 Å²	0	70 Å²	70	0%	0	36%	0.362	C	S	.	.	H	α-helix	trans	-65.5	-45.5	179.6	0	0	0	0	0	111.7	V682 W874 R876 Y882	V682-A878 WeakPolarHBondContact CG2-O 3.21Å; W874-A878 HydrophobicContact CZ2-CB 3.99Å; W874-A878 WeakPolarHBondContact O-CB 3.29Å; W874-A878 PolarHBondContact O-N 2.87Å; R876-A878 VanDerWaalsContact C-N 3.28Å; R876-A878 PolarHBondContact O-N 3.11Å; A878-Y882 WeakPolarHBondContact O-CB 3.11Å; A878-Y882 PolarHBondContact O-N 2.78Å
879	A	94.6	Very high	86.7	Confident	48 Å²	48	67.5 Å²	67.5	40%	0.397	35%	0.347	S	S	.	.	H	α-helix	trans	-62.6	-49.7	176.6	0	0	0	0	0	112.3	D875 R876 T881 Y882 E883	D875-A879 WeakPolarHBondContact O-CB 3.29Å; D875-A879 PolarHBondContact O-N 2.88Å; D875-A879 VanDerWaalsContact O-N 3.09Å; R876-A879 PolarHBondContact O-N 2.85Å; A879-T881 PolarHBondContact O-N 3.5Å; A879-Y882 PolarHBondContact O-N 2.96Å; A879-E883 PolarHBondContact O-N 3.39Å
880	E	95	Very high	87.3	Confident	112 Å²	112	63.6 Å²	63.6	52%	0.523	34%	0.342	S	S	.	.	H	α-helix	trans	-62.8	-42.1	179.8	-69.9	172.6	-174.4	0	0	111.6	R876 M884	R876-E880 VanDerWaalsContact CG-OE1 3.27Å; R876-E880 WeakPolarHBondContact CG-OE1 3.33Å; R876-E880 WeakPolarHBondContact O-CB 3.48Å; R876-E880 WeakPolarHBondContact O-CG 3.27Å; R876-E880 PolarHBondContact O-N 2.85Å; E880-M884 WeakPolarHBondContact O-CG 3.42Å; E880-M884 PolarHBondContact O-N 2.93Å; E880-M884 VanDerWaalsContact O-N 3.12Å
881	T	95.7	Very high	86.4	Confident	10 Å²	10	61.5 Å²	61.5	6%	0.061	35%	0.347	C	S	.	.	H	α-helix	trans	-72.5	-36.6	179.2	-54.4	0	0	0	0	112.2	V682 Y877 A879 M884 L885	V682-T881 HydrophobicContact CG1-CG2 3.78Å; V682-T881 HydrophobicContact CG2-CG2 4.15Å; Y877-T881 WeakPolarHBondContact O-CB 3.4Å; Y877-T881 PolarHBondContact O-N 3.22Å; Y877-T881 PolarHBondContact O-OG1 3.45Å; A879-T881 PolarHBondContact O-N 3.5Å; T881-M884 PolarHBondContact O-N 3.12Å; T881-L885 HydrophobicContact CG2-CD1 4.07Å; T881-L885 HydrophobicContact CG2-CG 4.4Å; T881-L885 WeakPolarHBondContact O-CB 2.81Å; T881-L885 VanDerWaalsContact O-CG 3.3Å; T881-L885 WeakPolarHBondContact O-CG 3.24Å; T881-L885 PolarHBondContact O-N 3.48Å
882	Y	95.7	Very high	84.6	Confident	48 Å²	48	60.3 Å²	60.3	19%	0.188	36%	0.356	C	S	.	.	H	α-helix	trans	-65.2	-44.5	175.8	-175.4	-101.6	0	0	0	111.5	E678 Y681 V682 A878 A879 M884 L885 V886	E678-Y882 HydrophobicContact CB-CD1 4.06Å; E678-Y882 HydrophobicContact CB-CD2 3.88Å; E678-Y882 HydrophobicContact CB-CE1 4.32Å; E678-Y882 HydrophobicContact CB-CE2 4.16Å; E678-Y882 HydrophobicContact CB-CG 3.83Å; E678-Y882 HydrophobicContact CG-CD1 3.68Å; E678-Y882 HydrophobicContact CG-CD2 4.08Å; E678-Y882 HydrophobicContact CG-CE1 3.52Å; E678-Y882 HydrophobicContact CG-CE2 3.95Å; E678-Y882 HydrophobicContact CG-CG 3.95Å; E678-Y882 VanDerWaalsContact OE1-CE1 3.24Å; E678-Y882 WeakPolarHBondContact OE1-CE1 3.29Å; Y681-Y882 AromaticContact CD1-CD2 3.77Å; Y681-Y882 HydrophobicContact CD1-CD2 3.77Å; Y681-Y882 AromaticContact CD1-CE2 3.59Å; Y681-Y882 HydrophobicContact CD1-CE2 3.59Å; Y681-Y882 HydrophobicContact CE1-CE2 4.39Å; Y681-Y882 HydrophobicContact CG-CD2 4.32Å; Y681-Y882 AromaticContact CG-CE2 3.99Å; Y681-Y882 HydrophobicContact CG-CE2 3.99Å; V682-Y882 HydrophobicContact CG2-CD2 4.47Å; A878-Y882 WeakPolarHBondContact O-CB 3.11Å; A878-Y882 PolarHBondContact O-N 2.78Å; A879-Y882 PolarHBondContact O-N 2.96Å; Y882-M884 VanDerWaalsContact C-N 3.34Å; Y882-M884 PolarHBondContact O-N 3.35Å; Y882-L885 PolarHBondContact O-N 3.34Å; Y882-V886 HydrophobicContact CD1-CG2 4.15Å; Y882-V886 HydrophobicContact CD2-CG2 4.42Å; Y882-V886 HydrophobicContact CE1-CG2 3.73Å; Y882-V886 HydrophobicContact CE2-CG2 4.02Å; Y882-V886 HydrophobicContact CG-CG2 4.48Å; Y882-V886 WeakPolarHBondContact O-CG2 3.33Å; Y882-V886 PolarHBondContact O-N 2.92Å
883	E	94.2	Very high	82.2	Confident	123 Å²	123	63 Å²	63	58%	0.575	37%	0.367	S	S	*	.	H	α-helix	trans	-59.6	-43.2	174.6	-179.7	165	-153.8	0	0	111.6	A879 N887	A879-E883 PolarHBondContact O-N 3.39Å; E883-N887 WeakPolarHBondContact CG-ND2 3.31Å; E883-N887 VanDerWaalsContact O-CB 3.3Å; E883-N887 WeakPolarHBondContact O-CB 3.37Å; E883-N887 PolarHBondContact O-N 3.49Å; E883-N887 PolarHBondContact O-ND2 3.47Å
884	M	93	Very high	79.9	Confident	115 Å²	115	67.3 Å²	67.3	57%	0.567	40%	0.398	S	S	*	.	H	α-helix	trans	-61.8	-46.2	174.3	-73.5	-171.3	-67.6	0	0	113	E880 T881 Y882 N887 V888	E880-M884 WeakPolarHBondContact O-CG 3.42Å; E880-M884 PolarHBondContact O-N 2.93Å; E880-M884 VanDerWaalsContact O-N 3.12Å; T881-M884 PolarHBondContact O-N 3.12Å; Y882-M884 VanDerWaalsContact C-N 3.34Å; Y882-M884 PolarHBondContact O-N 3.35Å; M884-N887 PolarHBondContact O-N 3.47Å; M884-V888 WeakPolarHBondContact O-CG2 3.45Å; M884-V888 PolarHBondContact O-N 3.16Å
885	L	91.4	Very high	77.9	Confident	38 Å²	38	73.7 Å²	73.7	20%	0.199	43%	0.433	C	S	.	.	H	α-helix	trans	-62.3	-45.9	-179.8	-74.1	167.6	0	0	0	111.9	Y681 V682 C685 T881 Y882 N887 V888 E889	Y681-L885 HydrophobicContact CD1-CD1 4.47Å; Y681-L885 HydrophobicContact CE1-CB 4.49Å; V682-L885 HydrophobicContact CG2-CD1 4.25Å; C685-L885 HydrophobicContact CB-CD1 3.81Å; C685-L885 HydrophobicContact CB-CD2 4.24Å; T881-L885 HydrophobicContact CG2-CD1 4.07Å; T881-L885 HydrophobicContact CG2-CG 4.4Å; T881-L885 WeakPolarHBondContact O-CB 2.81Å; T881-L885 VanDerWaalsContact O-CG 3.3Å; T881-L885 WeakPolarHBondContact O-CG 3.24Å; T881-L885 PolarHBondContact O-N 3.48Å; Y882-L885 PolarHBondContact O-N 3.34Å; L885-N887 PolarHBondContact O-N 2.87Å; L885-V888 PolarHBondContact O-N 3.41Å; L885-E889 PolarHBondContact O-N 2.87Å
886	V	87.9	Confident	75.6	Confident	54 Å²	54	78.8 Å²	78.8	33%	0.327	46%	0.46	S	S	.	.	H	α-helix	trans	-65.1	-39.2	178.3	172.7	0	0	0	0	111.5	Y882 V888 E889 G890	Y882-V886 HydrophobicContact CD1-CG2 4.15Å; Y882-V886 HydrophobicContact CD2-CG2 4.42Å; Y882-V886 HydrophobicContact CE1-CG2 3.73Å; Y882-V886 HydrophobicContact CE2-CG2 4.02Å; Y882-V886 HydrophobicContact CG-CG2 4.48Å; Y882-V886 WeakPolarHBondContact O-CG2 3.33Å; Y882-V886 PolarHBondContact O-N 2.92Å; V886-V888 VanDerWaalsContact C-N 3.34Å; V886-V888 PolarHBondContact O-N 2.95Å; V886-E889 PolarHBondContact O-N 2.68Å; V886-G890 PolarHBondContact O-N 2.88Å
887	N	86.2	Confident	72.8	Confident	105 Å²	105	77.1 Å²	77.1	56%	0.561	47%	0.474	S	S	*	.	H	α-helix	trans	-67.4	-32.5	176.7	-74.3	-31.1	0	0	0	112.7	E883 M884 L885 G891	E883-N887 WeakPolarHBondContact CG-ND2 3.31Å; E883-N887 VanDerWaalsContact O-CB 3.3Å; E883-N887 WeakPolarHBondContact O-CB 3.37Å; E883-N887 PolarHBondContact O-N 3.49Å; E883-N887 PolarHBondContact O-ND2 3.47Å; M884-N887 PolarHBondContact O-N 3.47Å; L885-N887 PolarHBondContact O-N 2.87Å; N887-G891 PolarHBondContact O-N 3.41Å
888	V	79.6	Confident	70.4	Confident	118 Å²	118	81 Å²	81	72%	0.715	50%	0.501	S	S	*	.	H	α-helix	trans	-72.4	-38.8	173.3	170.7	0	0	0	0	111.6	M884 L885 V886 G891	M884-V888 WeakPolarHBondContact O-CG2 3.45Å; M884-V888 PolarHBondContact O-N 3.16Å; L885-V888 PolarHBondContact O-N 3.41Å; V886-V888 VanDerWaalsContact C-N 3.34Å; V886-V888 PolarHBondContact O-N 2.95Å; V888-G891 PolarHBondContact O-N 3.4Å
889	E	66.5	Low	67.9	Low	56 Å²	56	88.3 Å²	88.3	26%	0.262	54%	0.54	S	S	.	.	H	α-helix	trans	-73.3	-35.9	178.7	-168.9	177.1	164.3	0	0	113	Y681 L885 V886 G891 C963 G964 L965	Y681-E889 PolarHBondContact OH-OE2 2.78Å; L885-E889 PolarHBondContact O-N 2.87Å; V886-E889 PolarHBondContact O-N 2.68Å; E889-G891 PolarHBondContact O-N 2.89Å; E889-C963 WeakPolarHBondContact OE1-CA 3.2Å; E889-C963 PolarHBondContact OE1-SG 3.26Å; E889-G964 PolarHBondContact OE1-N 3.29Å; E889-L965 HydrophobicContact CG-CD1 3.93Å; E889-L965 PolarHBondContact OE1-N 3.23Å
890	G	57.4	Low	65.6	Low	68 Å²	68	92.6 Å²	92.6	70%	0.701	56%	0.557	S	S	*	*	S	Bend	trans	-73.9	-13.4	172.9	0	0	0	0	0	114.2	V886 G892	V886-G890 PolarHBondContact O-N 2.88Å; G890-G892 VanDerWaalsContact C-N 3.29Å; G890-G892 PolarHBondContact O-N 3.36Å
891	G	42.2	Very low	63.6	Low	53 Å²	53	94.4 Å²	94.4	55%	0.546	57%	0.57	S	S	.	*			trans	-76.1	68	-179.6	0	0	0	0	0	113.6	N887 V888 E889	N887-G891 PolarHBondContact O-N 3.41Å; V888-G891 PolarHBondContact O-N 3.4Å; E889-G891 PolarHBondContact O-N 2.89Å
892	G	37.3	Very low	61.2	Low	63 Å²	63	103 Å²	103	65%	0.649	61%	0.609	S	S	*	*			trans	-53.6	143.7	164.3	0	0	0	0	0	111.3	G890 P894	G890-G892 VanDerWaalsContact C-N 3.29Å; G890-G892 PolarHBondContact O-N 3.36Å; G892-P894 WeakPolarHBondContact O-CD 3.47Å
893	N	38.7	Very low	59.1	Low	95 Å²	95	108.4 Å²	108.4	51%	0.508	64%	0.641	S	S	.	*			trans	-54.3	117.9	-171.7	-174.8	39.4	0	0	0	111.9	D895 D896	N893-D895 WeakPolarHBondContact ND2-CB 3.39Å; N893-D895 PolarHBondContact O-N 3.04Å; N893-D896 WeakPolarHBondContact CB-OD2 3.22Å; N893-D896 PolarHBondContact ND2-OD2 3.04Å; N893-D896 PolarHBondContact O-N 3.23Å
894	P	43.9	Very low	56.8	Low	135 Å²	135	110 Å²	110	88%	0.877	65%	0.654	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.8	14.9	-176.4	32.6	-37.1	0	0	0	114	G892	G892-P894 WeakPolarHBondContact O-CD 3.47Å
895	D	53.1	Low	54.8	Low	144 Å²	144	112.8 Å²	112.8	77%	0.77	67%	0.671	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103.3	-8.4	177	-145.2	31.8	0	0	0	111.3	N893	N893-D895 WeakPolarHBondContact ND2-CB 3.39Å; N893-D895 PolarHBondContact O-N 3.04Å
896	D	46.9	Very low	52.7	Low	134 Å²	134	119.7 Å²	119.7	72%	0.717	70%	0.702	S	S	*	*	S	Bend	trans	-110.6	80.8	-175.4	-70.8	-69.5	0	0	0	112	N893	N893-D896 WeakPolarHBondContact CB-OD2 3.22Å; N893-D896 PolarHBondContact ND2-OD2 3.04Å; N893-D896 PolarHBondContact O-N 3.23Å
897	G	37.3	Very low	50.7	Low	65 Å²	65	125.9 Å²	125.9	67%	0.67	73%	0.728	S	S	*	*			trans	136.3	68.4	159.2	0	0	0	0	0	118.5
898	V	44.2	Very low	48.7	Very low	117 Å²	117	129.3 Å²	129.3	71%	0.709	74%	0.74	S	S	*	*			trans	-133.6	97	143.2	-176.2	0	0	0	0	107.2	D900	V898-D900 PolarHBondContact O-N 3.11Å
899	D	45.5	Very low	46.9	Very low	154 Å²	154	131.3 Å²	131.3	82%	0.824	75%	0.747	S	S	*	*			trans	-79.7	94.1	164.9	-68	-59.2	0	0	0	107.2	D901	D899-D901 PolarHBondContact O-N 3.42Å; D899-D901 VanDerWaalsContact O-N 3.12Å
900	D	46.5	Very low	45.9	Very low	138 Å²	138	136.5 Å²	136.5	74%	0.738	77%	0.771	S	S	*	*			trans	-74.5	91.6	169.6	-80	-42	0	0	0	108.7	V898 E902	V898-D900 PolarHBondContact O-N 3.11Å; D900-E902 PolarHBondContact O-N 3.46Å
901	D	53.5	Low	45.2	Very low	150 Å²	150	141.7 Å²	141.7	80%	0.802	78%	0.777	S	S	*	*			trans	-67.1	94	170.6	-80.2	-41.7	0	0	0	109.9	D899 D903	D899-D901 PolarHBondContact O-N 3.42Å; D899-D901 VanDerWaalsContact O-N 3.12Å; D901-D903 PolarHBondContact O-N 2.87Å
902	E	43.7	Very low	45.1	Very low	190 Å²	190	147.5 Å²	147.5	89%	0.888	79%	0.79	S	S	*	*			trans	-69.5	99.7	167.6	-67	-177	149.8	0	0	110.4	D900	D900-E902 PolarHBondContact O-N 3.46Å
903	D	51.4	Low	45.2	Very low	162 Å²	162	151 Å²	151	87%	0.866	79%	0.794	S	S	*	*			trans	-115	125.4	164.7	-100.1	-32.4	0	0	0	109.7	D901	D901-D903 PolarHBondContact O-N 2.87Å
904	D	46.6	Very low	45.2	Very low	156 Å²	156	154.9 Å²	154.9	83%	0.834	81%	0.809	S	S	*	*			trans	-71.7	150.4	179.6	-62.9	-66.9	0	0	0	113.2
905	D	51.8	Low	44.6	Very low	173 Å²	173	152.4 Å²	152.4	93%	0.925	81%	0.808	S	S	*	*			trans	-163.1	148.8	137.8	-104.8	-27.9	0	0	0	110.2
906	E	45.9	Very low	43.6	Very low	184 Å²	184	148.7 Å²	148.7	86%	0.86	80%	0.804	S	S	*	*			trans	-102.4	-161	-162.3	-57.3	-178	123.9	0	0	114.9
907	E	46.3	Very low	42.9	Very low	183 Å²	183	148.6 Å²	148.6	86%	0.855	81%	0.808	S	S	*	*			trans	76.9	95.8	176.7	-53.7	-174	-179.7	0	0	115.1
908	E	44.7	Very low	42.8	Very low	178 Å²	178	151.2 Å²	151.2	83%	0.832	81%	0.811	S	S	*	*				73	112	66.2	-63.7	-167.3	147	0	0	114.7
909	D	42.7	Very low	42.4	Very low	159 Å²	159	152 Å²	152	85%	0.85	81%	0.811	S	S	*	*				173.1	143.1	118.6	-95.1	-14.8	0	0	0	115.8
910	E	44.8	Very low	42	Very low	165 Å²	165	151.5 Å²	151.5	77%	0.771	81%	0.808	S	S	*	*			trans	-60.9	150.2	-167.2	-63.9	174.6	156.2	0	0	121
911	E	42	Very low	41.6	Very low	177 Å²	177	153.1 Å²	153.1	83%	0.827	81%	0.812	S	S	*	*			trans	55.1	168.4	135.3	-56.5	-168.1	178.3	0	0	120.3
912	E	40.5	Very low	40.6	Very low	176 Å²	176	154 Å²	154	82%	0.822	81%	0.811	S	S	*	*			cis	-132.2	138.6	10.8	-59.3	175.3	128.2	0	0	109.7
913	D	40	Very low	40.1	Very low	137 Å²	137	150.2 Å²	150.2	73%	0.733	80%	0.801	S	S	*	*				69.4	150.4	93.1	-159.5	28.9	0	0	0	118.6
914	Q	39	Very low	39.3	Very low	175 Å²	175	148.3 Å²	148.3	82%	0.818	80%	0.795	S	S	*	*			trans	77.3	127.9	165.2	-44	-166.9	10.6	0	0	119.2
915	G	30.6	Very low	38.8	Very low	84 Å²	84	145.2 Å²	145.2	87%	0.866	79%	0.785	S	S	*	*			trans	-128.5	170.8	171.1	0	0	0	0	0	112
916	G	31.7	Very low	38	Very low	65 Å²	65	142.6 Å²	142.6	67%	0.67	77%	0.771	S	S	*	*			trans	-176.7	119.4	179.7	0	0	0	0	0	115.8
917	T	33.2	Very low	37.5	Very low	132 Å²	132	140.3 Å²	140.3	81%	0.81	76%	0.761	S	S	*	*			trans	50.5	101.4	137.7	52.1	0	0	0	0	121.6
918	V	35.3	Very low	37	Very low	121 Å²	121	138.2 Å²	138.2	73%	0.733	76%	0.755	S	S	*	*				53.2	154	125.8	-125.2	0	0	0	0	123.3
919	D	34	Very low	36.4	Very low	134 Å²	134	135.4 Å²	135.4	72%	0.717	74%	0.742	S	S	*	*			trans	102.5	143.8	144.3	-65.7	-34.4	0	0	0	121.7
920	D	38.2	Very low	35.9	Very low	142 Å²	142	135.1 Å²	135.1	76%	0.759	73%	0.733	S	S	*	*			trans	78	121.2	156.7	-60.6	-21.6	0	0	0	125.2
921	E	37.3	Very low	35.4	Very low	173 Å²	173	133 Å²	133	81%	0.808	73%	0.726	S	S	*	*			trans	46.4	119	140.7	-54.4	-169.9	153.9	0	0	120.7
922	E	33.6	Very low	35	Very low	167 Å²	167	130.6 Å²	130.6	78%	0.78	72%	0.72	S	S	*	*				79.7	153.8	60.4	-146.9	-145	-135.9	0	0	114.7
923	T	32.6	Very low	34.8	Very low	111 Å²	111	128.1 Å²	128.1	68%	0.681	71%	0.712	S	S	*	*			trans	77.3	135.1	160.7	-85	0	0	0	0	119.1
924	V	35.2	Very low	34.6	Very low	123 Å²	123	125.8 Å²	125.8	75%	0.745	71%	0.707	S	S	*	*			cis	-170.7	-178.2	-24.3	95.2	0	0	0	0	110.1
925	S	35.2	Very low	34.2	Very low	90 Å²	90	125 Å²	125	63%	0.629	71%	0.708	S	S	*	*			trans	79	150.3	162	-77	0	0	0	0	119.2
926	N	36.1	Very low	34.3	Very low	118 Å²	118	128.6 Å²	128.6	63%	0.631	71%	0.707	S	S	*	*			cis	-153.5	145.5	-0.9	-120.4	-31.8	0	0	0	114.5
927	Q	34.4	Very low	34.3	Very low	136 Å²	136	131 Å²	131	64%	0.636	71%	0.708	S	S	*	*			trans	10	152.6	140.7	-60.1	178.1	82	0	0	121
928	L	35.3	Very low	34.1	Very low	139 Å²	139	131.3 Å²	131.3	73%	0.728	71%	0.71	S	S	*	*			cis	-154.2	139.8	46.8	-99.5	94.9	0	0	0	114.8
929	Q	32	Very low	33.8	Very low	120 Å²	120	130.7 Å²	130.7	56%	0.561	71%	0.711	S	S	*	*				34.5	141.7	115	-67.7	-175.3	21.7	0	0	120.1
930	K	33	Very low	33.7	Very low	153 Å²	153	130.2 Å²	130.2	67%	0.665	72%	0.716	S	S	*	*			cis	-175.5	165.9	25.2	-126.7	171.8	-177.9	146.6	0	114.9
931	N	34.7	Very low	33.3	Very low	119 Å²	119	129.7 Å²	129.7	64%	0.636	72%	0.718	S	S	*	*			trans	75.3	115.2	145.3	-70.6	-2.2	0	0	0	123.3
932	N	32.2	Very low	33	Very low	128 Å²	128	126 Å²	126	68%	0.684	72%	0.717	S	S	*	*				70.6	151.2	123.9	-66.6	37.7	0	0	0	121.1
933	D	36.4	Very low	32.7	Very low	124 Å²	124	125.4 Å²	125.4	66%	0.663	72%	0.719	S	S	*	*			cis	-150	150.6	10.4	-131.2	-47.4	0	0	0	115.7
934	S	35.6	Very low	32.6	Very low	88 Å²	88	125.9 Å²	125.9	62%	0.615	72%	0.722	S	S	*	*			trans	21	119.2	151.2	-58.5	0	0	0	0	124.7
935	N	31.5	Very low	32.3	Very low	159 Å²	159	126.4 Å²	126.4	85%	0.85	72%	0.719	S	S	*	*				35.6	126.2	125.2	-55	-33.9	0	0	0	122.1
936	N	32.4	Very low	31.9	Very low	159 Å²	159	127 Å²	127	85%	0.85	72%	0.723	S	S	*	*				-166.3	147.5	106.9	-160	18.2	0	0	0	114.8
937	V	31.2	Very low	31.5	Very low	114 Å²	114	128.8 Å²	128.8	69%	0.691	73%	0.732	S	S	*	*			trans	-60.5	138.2	-176.9	172.1	0	0	0	0	116.9
938	T	30.1	Very low	31.2	Very low	139 Å²	139	127.2 Å²	127.2	85%	0.853	73%	0.731	S	S	*	*				-162.6	131.6	125.8	10.7	0	0	0	0	115.9
939	S	29.7	Very low	31	Very low	108 Å²	108	128.3 Å²	128.3	76%	0.755	74%	0.738	S	S	*	*			trans	56	116.9	156	-148.1	0	0	0	0	121.3
940	P	30	Very low	30.8	Very low	125 Å²	125	131.1 Å²	131.1	81%	0.812	75%	0.748	S	S	*	*	P	Polyproline II helix	trans	-95.4	117.2	166	34.4	-27.4	0	0	0	112.4
941	T	31.4	Very low	30.7	Very low	131 Å²	131	130.6 Å²	130.6	80%	0.804	75%	0.752	S	S	*	*	P	Polyproline II helix	trans	-74.4	140.9	155	31	0	0	0	0	109.6	N943	T941-N943 PolarHBondContact O-N 3.01Å
942	A	31.4	Very low	30.5	Very low	95 Å²	95	131 Å²	131	79%	0.785	76%	0.755	S	S	*	*	P	Polyproline II helix	trans	-69.7	118.8	-172.8	0	0	0	0	0	112.2	V944	A942-V944 PolarHBondContact O-N 2.78Å
943	N	26.9	Very low	30.4	Very low	155 Å²	155	135.2 Å²	135.2	83%	0.829	77%	0.767	S	S	*	*			trans	-76	100.5	162.9	-69.6	-29.3	0	0	0	108.5	T941	T941-N943 PolarHBondContact O-N 3.01Å
944	V	29.5	Very low	30.1	Very low	121 Å²	121	135.7 Å²	135.7	73%	0.733	77%	0.768	S	S	*	*			trans	-74.4	135.1	159.2	-179.5	0	0	0	0	107.5	A942 S946	A942-V944 PolarHBondContact O-N 2.78Å; V944-S946 PolarHBondContact O-N 2.7Å
945	I	28.7	Very low	29.8	Very low	134 Å²	134	137.7 Å²	137.7	69%	0.687	77%	0.772	S	S	*	*			trans	-80.1	108.7	-162.1	-61.2	172.7	0	0	0	110	L947	I945-L947 VanDerWaalsContact C-N 3.32Å; I945-L947 HydrophobicContact CG2-CG 4.13Å; I945-L947 PolarHBondContact O-N 3.28Å
946	S	26.5	Very low	30.1	Very low	102 Å²	102	140.4 Å²	140.4	71%	0.713	77%	0.77	S	S	*	*			trans	-73	84.5	169.6	51.8	0	0	0	0	110.9	V944 V948	V944-S946 PolarHBondContact O-N 2.7Å; S946-V948 PolarHBondContact O-N 2.96Å
947	L	27.5	Very low	30.3	Very low	156 Å²	156	141.8 Å²	141.8	82%	0.817	77%	0.769	S	S	*	*			trans	-71.7	58.9	161.4	-83.1	166	0	0	0	110.4	I945 N949	I945-L947 VanDerWaalsContact C-N 3.32Å; I945-L947 HydrophobicContact CG2-CG 4.13Å; I945-L947 PolarHBondContact O-N 3.28Å; L947-N949 PolarHBondContact O-N 2.96Å
948	V	29.1	Very low	30.6	Very low	103 Å²	103	142.2 Å²	142.2	62%	0.624	77%	0.767	S	S	*	*			trans	-66.1	124	159.6	170.4	0	0	0	0	106.6	S946 K950	S946-V948 PolarHBondContact O-N 2.96Å; V948-K950 PolarHBondContact O-N 3.16Å
949	N	31.2	Very low	31	Very low	161 Å²	161	141.9 Å²	141.9	86%	0.861	76%	0.76	S	S	*	*			trans	-64.1	86.1	171.1	-89.6	-10	0	0	0	110.2	L947 N951	L947-N949 PolarHBondContact O-N 2.96Å; N949-N951 PolarHBondContact O-N 3.36Å
950	K	28.3	Very low	31.6	Very low	180 Å²	180	140.9 Å²	140.9	78%	0.783	75%	0.749	S	S	*	*			trans	-78	100.5	154.3	-72.6	179.7	178.3	176.3	0	107.4	V948	V948-K950 PolarHBondContact O-N 3.16Å
951	N	31.3	Very low	32	Very low	141 Å²	141	138.7 Å²	138.7	75%	0.754	75%	0.749	S	S	*	*				-163.6	163.7	125.7	-93.4	-9.2	0	0	0	110.5	N949	N949-N951 PolarHBondContact O-N 3.36Å
952	D	30.3	Very low	32.2	Very low	129 Å²	129	137.1 Å²	137.1	69%	0.69	74%	0.743	S	S	*	*			trans	60.7	75.2	162.9	-52.3	-25.8	0	0	0	117.1	I954	D952-I954 HydrophobicContact CB-CD1 4.43Å; D952-I954 HydrophobicContact CB-CG1 4.34Å; D952-I954 PolarHBondContact O-N 3.06Å
953	K	28.6	Very low	32.6	Very low	215 Å²	215	134.8 Å²	134.8	94%	0.935	72%	0.721	S	S	*	*			trans	-60.2	79.1	147.2	-73.7	-175	171.9	-173.1	0	110.5
954	I	31.4	Very low	33	Very low	135 Å²	135	129.7 Å²	129.7	69%	0.692	71%	0.705	S	S	*	*			trans	-89.6	140.2	159.7	-64.8	172.4	0	0	0	107.5	D952 R956	D952-I954 HydrophobicContact CB-CD1 4.43Å; D952-I954 HydrophobicContact CB-CG1 4.34Å; D952-I954 PolarHBondContact O-N 3.06Å; I954-R956 VanDerWaalsContact C-N 3.35Å; I954-R956 PolarHBondContact O-N 3.02Å
955	N	29.4	Very low	33.7	Very low	129 Å²	129	127 Å²	127	69%	0.69	69%	0.686	S	S	*	*			trans	-67.6	87.5	179.7	-83.2	-11.7	0	0	0	111.1	K957	N955-K957 PolarHBondContact O-N 3.31Å; N955-K957 VanDerWaalsContact O-N 3.08Å
956	R	36.6	Very low	34.2	Very low	216 Å²	216	122 Å²	122	82%	0.815	67%	0.665	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.3	6.6	168.1	-79.4	-171	170.1	-168.1	-4.3	114	I954 D958	I954-R956 VanDerWaalsContact C-N 3.35Å; I954-R956 PolarHBondContact O-N 3.02Å; R956-D958 VanDerWaalsContact C-N 3.32Å; R956-D958 PolarHBondContact O-N 2.93Å
957	K	37.5	Very low	34.6	Very low	189 Å²	189	122.7 Å²	122.7	82%	0.822	66%	0.661	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.2	-15.5	-176.1	-150.1	161.3	-168.9	165.6	0	113.9	N955	N955-K957 PolarHBondContact O-N 3.31Å; N955-K957 VanDerWaalsContact O-N 3.08Å
958	D	36.5	Very low	35.3	Very low	123 Å²	123	122.2 Å²	122.2	66%	0.658	65%	0.652	S	S	*	*	S	Bend	trans	-106.1	-8.1	-169.9	-53	-52.2	0	0	0	113.5	R956	R956-D958 VanDerWaalsContact C-N 3.32Å; R956-D958 PolarHBondContact O-N 2.93Å
959	N	38.5	Very low	36.1	Very low	132 Å²	132	118.4 Å²	118.4	71%	0.706	63%	0.628	S	S	*	*	S	Bend	trans	-104.2	-1.4	-172.7	-141.7	52.8	0	0	0	115.5
960	V	43.9	Very low	36.5	Very low	87 Å²	87	115.9 Å²	115.9	53%	0.527	61%	0.611	S	S	.	*	S	Bend	trans	-84.4	-15.2	175.3	-174.2	0	0	0	0	111.6	F614	F614-V960 HydrophobicContact CD1-CG1 4.47Å; F614-V960 HydrophobicContact CG-CG1 4.43Å
961	G	37.9	Very low	37	Very low	78 Å²	78	110.8 Å²	110.8	80%	0.804	60%	0.598	S	S	*	*	S	Bend	trans	-90.5	9.4	-176.4	0	0	0	0	0	116.2
962	S	34.3	Very low	37.7	Very low	98 Å²	98	108 Å²	108	69%	0.685	58%	0.582	S	S	*	*			trans	-127.6	39.5	-171.5	-168.5	0	0	0	0	113.7	G964	S962-G964 PolarHBondContact O-N 2.6Å; S962-G964 VanDerWaalsContact O-N 3.15Å
963	C	40.2	Very low	38.5	Very low	47 Å²	47	104.4 Å²	104.4	32%	0.318	56%	0.563	S	S	.	*			trans	-65.6	108.9	171.9	178.5	0	0	0	0	110.2	E889 L965 A966	E889-C963 WeakPolarHBondContact OE1-CA 3.2Å; E889-C963 PolarHBondContact OE1-SG 3.26Å; C963-L965 VanDerWaalsContact C-N 3.27Å; C963-A966 HydrophobicContact CB-CB 4.06Å; C963-A966 PolarHBondContact O-N 2.96Å; C963-A966 PolarHBondContact SG-N 3.25Å
964	G	36.9	Very low	39	Very low	47 Å²	47	98 Å²	98	49%	0.485	55%	0.545	S	S	.	.	H	α-helix	trans	-68.8	-28.7	175.9	0	0	0	0	0	112	E889 S962 K968	E889-G964 PolarHBondContact OE1-N 3.29Å; S962-G964 PolarHBondContact O-N 2.6Å; S962-G964 VanDerWaalsContact O-N 3.15Å; G964-K968 PolarHBondContact O-N 3.49Å
965	L	42.2	Very low	39.6	Very low	64 Å²	64	96 Å²	96	34%	0.335	54%	0.544	S	S	.	.	H	α-helix	trans	-65.9	-36.2	173.3	-102.2	74.8	0	0	0	112.6	E889 C963 N967 K968 L969	E889-L965 HydrophobicContact CG-CD1 3.93Å; E889-L965 PolarHBondContact OE1-N 3.23Å; C963-L965 VanDerWaalsContact C-N 3.27Å; L965-N967 PolarHBondContact O-N 2.86Å; L965-K968 CarbonylContact O-C 3.59Å; L965-K968 PolarHBondContact O-N 2.8Å; L965-L969 HydrophobicContact CB-CD1 4.17Å; L965-L969 HydrophobicContact CD2-CD1 4.48Å; L965-L969 WeakPolarHBondContact O-CB 3.31Å; L965-L969 VanDerWaalsContact O-CG 3.25Å; L965-L969 WeakPolarHBondContact O-CG 3.18Å; L965-L969 PolarHBondContact O-N 3.06Å
966	A	39.2	Very low	40.3	Very low	31 Å²	31	97 Å²	97	26%	0.256	54%	0.544	S	S	.	.	H	α-helix	trans	-56.3	-52.9	-177.3	0	0	0	0	0	111.9	C963 K968 L969 E970	C963-A966 HydrophobicContact CB-CB 4.06Å; C963-A966 PolarHBondContact O-N 2.96Å; C963-A966 PolarHBondContact SG-N 3.25Å; A966-K968 PolarHBondContact O-N 2.87Å; A966-L969 PolarHBondContact O-N 3.25Å; A966-E970 WeakPolarHBondContact O-CG 3.25Å; A966-E970 PolarHBondContact O-N 3.1Å
967	N	35.6	Very low	40.4	Very low	116 Å²	116	91.1 Å²	91.1	62%	0.62	53%	0.528	S	S	*	.	H	α-helix	trans	-63.6	-28.2	177	-61.6	-48.8	0	0	0	112.9	L965 S971	L965-N967 PolarHBondContact O-N 2.86Å; N967-S971 PolarHBondContact O-N 3.38Å
968	K	43.4	Very low	40.5	Very low	145 Å²	145	89.6 Å²	89.6	63%	0.63	53%	0.527	S	S	*	.	H	α-helix	trans	-81.2	-39.2	-179.2	-157.7	170.8	-175.4	177.8	0	111.7	G964 L965 A966 S971 I972	G964-K968 PolarHBondContact O-N 3.49Å; L965-K968 CarbonylContact O-C 3.59Å; L965-K968 PolarHBondContact O-N 2.8Å; A966-K968 PolarHBondContact O-N 2.87Å; K968-S971 PolarHBondContact O-N 3.46Å; K968-S971 PolarHBondContact O-OG 2.87Å; K968-I972 PolarHBondContact O-N 3.22Å
969	L	45.8	Very low	40.6	Very low	24 Å²	24	91.8 Å²	91.8	13%	0.126	53%	0.531	C	S	.	.	H	α-helix	trans	-67.3	-42.2	173.2	-69.8	167.8	0	0	0	111.2	F621 L965 A966 S971 I972 N973	F621-L969 HydrophobicContact CZ-CD1 3.84Å; L965-L969 HydrophobicContact CB-CD1 4.17Å; L965-L969 HydrophobicContact CD2-CD1 4.48Å; L965-L969 WeakPolarHBondContact O-CB 3.31Å; L965-L969 VanDerWaalsContact O-CG 3.25Å; L965-L969 WeakPolarHBondContact O-CG 3.18Å; L965-L969 PolarHBondContact O-N 3.06Å; A966-L969 PolarHBondContact O-N 3.25Å; L969-S971 PolarHBondContact O-N 2.93Å; L969-I972 PolarHBondContact O-N 3.09Å; L969-N973 PolarHBondContact O-N 3.47Å
970	E	39.1	Very low	40.4	Very low	107 Å²	107	92.5 Å²	92.5	50%	0.5	53%	0.534	S	S	.	.	H	α-helix	trans	-53.7	-40.4	171.9	-80.7	-175.1	178.9	0	0	111.9	A966 I972 S974	A966-E970 WeakPolarHBondContact O-CG 3.25Å; A966-E970 PolarHBondContact O-N 3.1Å; E970-I972 VanDerWaalsContact C-N 3.29Å; E970-I972 PolarHBondContact O-N 3.27Å; E970-S974 WeakPolarHBondContact O-CB 3.39Å; E970-S974 PolarHBondContact O-N 3.37Å; E970-S974 VanDerWaalsContact O-N 3.14Å; E970-S974 PolarHBondContact O-OG 3.03Å
971	S	38.1	Very low	40.1	Very low	73 Å²	73	97.2 Å²	97.2	51%	0.51	55%	0.551	S	S	.	*	H	α-helix	trans	-68.1	-26.4	179.5	81.6	0	0	0	0	114	N967 K968 L969 S975	N967-S971 PolarHBondContact O-N 3.38Å; K968-S971 PolarHBondContact O-N 3.46Å; K968-S971 PolarHBondContact O-OG 2.87Å; L969-S971 PolarHBondContact O-N 2.93Å; S971-S975 PolarHBondContact O-OG 3.15Å
972	I	46.7	Very low	39.9	Very low	83 Å²	83	98.3 Å²	98.3	43%	0.426	55%	0.546	S	S	.	.	H	α-helix	trans	-87.5	-55.9	179.9	-63.9	167.9	0	0	0	109.3	K968 L969 E970 S974 S975	K968-I972 PolarHBondContact O-N 3.22Å; L969-I972 PolarHBondContact O-N 3.09Å; E970-I972 VanDerWaalsContact C-N 3.29Å; E970-I972 PolarHBondContact O-N 3.27Å; I972-S974 VanDerWaalsContact C-N 3.32Å; I972-S974 PolarHBondContact O-N 3.3Å; I972-S975 WeakPolarHBondContact O-CB 3.24Å; I972-S975 PolarHBondContact O-N 3.28Å
973	N	47.3	Very low	39.8	Very low	54 Å²	54	99.2 Å²	99.2	29%	0.289	55%	0.547	S	S	.	.	H	α-helix	trans	-59.3	-39.1	-177.4	-73.6	8.1	0	0	0	113	D620 L969 S975 E976 L977	D620-N973 PolarHBondContact OD2-ND2 3.15Å; L969-N973 PolarHBondContact O-N 3.47Å; N973-S975 PolarHBondContact O-N 3.47Å; N973-S975 VanDerWaalsContact O-N 3.07Å; N973-E976 PolarHBondContact O-N 3.3Å; N973-L977 HydrophobicContact CB-CD1 4.48Å; N973-L977 PolarHBondContact O-N 3.37Å
974	S	39.2	Very low	39.5	Very low	80 Å²	80	104.5 Å²	104.5	56%	0.559	58%	0.578	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.9	-18.4	178.3	-62	0	0	0	0	113.9	E970 I972	E970-S974 WeakPolarHBondContact O-CB 3.39Å; E970-S974 PolarHBondContact O-N 3.37Å; E970-S974 VanDerWaalsContact O-N 3.14Å; E970-S974 PolarHBondContact O-OG 3.03Å; I972-S974 VanDerWaalsContact C-N 3.32Å; I972-S974 PolarHBondContact O-N 3.3Å
975	S	44.1	Very low	39.4	Very low	94 Å²	94	105.6 Å²	105.6	66%	0.657	59%	0.589	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.5	-21.9	-176.9	-62.8	0	0	0	0	113.7	S971 I972 N973	S971-S975 PolarHBondContact O-OG 3.15Å; I972-S975 WeakPolarHBondContact O-CB 3.24Å; I972-S975 PolarHBondContact O-N 3.28Å; N973-S975 PolarHBondContact O-N 3.47Å; N973-S975 VanDerWaalsContact O-N 3.07Å
976	E	43.6	Very low	38.8	Very low	150 Å²	150	108 Å²	108	70%	0.701	62%	0.618	S	S	*	*	T	Hydrogen-bonded Turn	trans	-121.1	-25.1	-173.4	-60.6	-147.9	106	0	0	115.2	N973 I978 K979	N973-E976 PolarHBondContact O-N 3.3Å; E976-I978 PolarHBondContact O-N 2.92Å; E976-K979 PolarHBondContact O-N 3.45Å
977	L	39	Very low	38.5	Very low	92 Å²	92	110.2 Å²	110.2	48%	0.482	64%	0.644	S	S	.	*	G	3₁₀ helix	trans	-55.8	-23	179.4	-105.2	162	0	0	0	114.5	N973 K979	N973-L977 HydrophobicContact CB-CD1 4.48Å; N973-L977 PolarHBondContact O-N 3.37Å; L977-K979 PolarHBondContact O-N 2.82Å
978	I	39	Very low	38.2	Very low	156 Å²	156	115.4 Å²	115.4	80%	0.8	67%	0.665	S	S	*	*	G	3₁₀ helix	trans	-67.5	-5.6	-178.9	-63.1	175.7	0	0	0	113.3	E976	E976-I978 PolarHBondContact O-N 2.92Å
979	K	38.3	Very low	37.9	Very low	170 Å²	170	114 Å²	114	74%	0.739	67%	0.667	S	S	*	*	G	3₁₀ helix	trans	-107.8	-12.5	-176.1	-82.3	177	-178.8	163.1	0	117.8	E976 L977	E976-K979 PolarHBondContact O-N 3.45Å; L977-K979 PolarHBondContact O-N 2.82Å
980	L	35.8	Very low	37.5	Very low	146 Å²	146	118.7 Å²	118.7	76%	0.764	70%	0.695	S	S	*	*	T	Hydrogen-bonded Turn	trans	-110	-15.8	-167.4	-74.1	168.5	0	0	0	116.5	S982	L980-S982 VanDerWaalsContact C-N 3.26Å; L980-S982 PolarHBondContact O-N 3.46Å; L980-S982 VanDerWaalsContact O-N 3.1Å
981	E	35.9	Very low	37.4	Very low	187 Å²	187	119.3 Å²	119.3	87%	0.874	71%	0.706	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.3	17.4	-176.2	-66.5	-159.3	118.4	0	0	116.1
982	S	33.4	Very low	37.4	Very low	100 Å²	100	122.1 Å²	122.1	70%	0.699	72%	0.717	S	S	*	*	T	Hydrogen-bonded Turn	trans	-113	-7.2	-169.3	67.7	0	0	0	0	117.5	L980	L980-S982 VanDerWaalsContact C-N 3.26Å; L980-S982 PolarHBondContact O-N 3.46Å; L980-S982 VanDerWaalsContact O-N 3.1Å
983	T	32.2	Very low	36.8	Very low	118 Å²	118	124.5 Å²	124.5	72%	0.724	74%	0.736	S	S	*	*	S	Bend	trans	-140.2	50.3	-166.8	56.7	0	0	0	0	116.9
984	V	35.4	Very low	36.1	Very low	157 Å²	157	129.2 Å²	129.2	95%	0.952	77%	0.765	S	S	*	*			trans	-136.1	93.8	151.5	-173.4	0	0	0	0	109.6
985	G	34.1	Very low	35.8	Very low	71 Å²	71	132.7 Å²	132.7	73%	0.732	78%	0.78	S	S	*	*			trans	-136	123.3	177.8	0	0	0	0	0	112.1
986	A	29.2	Very low	35.2	Very low	114 Å²	114	135.7 Å²	135.7	94%	0.942	79%	0.79	S	S	*	*			trans	56.1	110.9	169.1	0	0	0	0	0	118
987	G	32.9	Very low	34.5	Very low	78 Å²	78	134.5 Å²	134.5	80%	0.804	80%	0.797	S	S	*	*			trans	-172.9	84	170.4	0	0	0	0	0	112.4
988	E	29	Very low	34.1	Very low	225 Å²	225	138.4 Å²	138.4	100%	1.051	83%	0.826	S	S	*	*			trans	46.2	0	175.3	-63.7	-172.4	145.4	0	0	118.1

Retrieved 988 of 988 residues in 230.4 ms (Link to these results)

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