A0A087Y3W5_POEFO Loading...

Regulatory factor X, 1a (influences HLA class II expression)

AlphaFold DB , UniProt , Accession A0A087Y3W5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 897 aa.

						>A0A087Y3W5_POEFO|A0A087Y3W5
MATSAYVGEMQPAAQPQGAVVTVTPGQPDTASTPATTPQFLAEIQTAVATPTVVTPTGQTTPTEQVSVVASQKPAAGSQTQTASQVQPAQTQYVTAEIQGSPTQSGNAQSTPQYIVVTVTEGSLHSSDSVSDSSPPPAVVQTGVPTQVVQQVQAAQQRSVVQATSQIAKTEPGTQLSVTNLQPVHITQEVQQQLASVPVQHVYANQVQYVEGGDTNYTTSTIRSSNFPYTETPLYTQSTAAQYYEGQPTSGAQASSPGTSLTVAVTAGATGGVSMFVAQPTTAAGGGATVVTAGGTANGSEEGAGTNGSAAGSYVIQGGYMLGSGSNSSSSSSNGGAAGNSQNYSHSARASPATVQWLLDNYETAEGVSLPRSTLYCHYLLHCQEQKLEPVNAASFGKLIRSVFMGLRTRRLGTRGNSKYHYYGLRIKAGSSLLRLMEDQQHLAMRQQPFSQKQRLKPVHKVEGMTNGTAAGAGQQQQQQQGSGHVDISTQVQQYQQFLDASRSLPEFPDIDLHGKSLPEGIELDHIKSFQLLYREHCEAILDVMVNLQFTLVETLWKTFWRFSQSQAGDTPMAVHDESEKRLPKSCLVLLCKYEPVLRWSRDCDNSLYQSLVEILIPDVLRPIPSALTQAIRNFAKSLESWLTNAMMNIPEEMVRIKVTSANAFAQTLRRYTSLNHLAQAARAVLQNTAQINQMLSDLNRVDFANVQEQASWVCRCEDRVVQRLEQDFKLTLQQQNSLEQWAVWLDGVVSQVLKPYQHSPAFPKAAKLFLLKWSFYSSMVIRDLTLRSAASFGSFHLIRLLYDEYMYYLIEHRVAQAKGETPIAVMGEFASLGRGLNQLDPDKEEEEEEDDESEEEGQELTLPADAAVLGEESLEPPAKLARTDQRVLFTTGSADN
					

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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	28.9	Very low	28.8	Very low	248 Å²	248	154.9 Å²	154.9	100%	1.222	88%	0.88	S	S	*	*				0	132	0	-71	-174.1	-76.9	0	0	107.6
2	A	26.4	Very low	29.7	Very low	100 Å²	100	152.2 Å²	152.2	83%	0.826	87%	0.873	S	S	*	*			trans	-151.5	127.4	170.4	0	0	0	0	0	108.3
3	T	30	Very low	29.5	Very low	142 Å²	142	148.1 Å²	148.1	87%	0.871	87%	0.869	S	S	*	*			trans	-152.6	150.1	177.8	44.3	0	0	0	0	108
4	S	30.7	Very low	29.4	Very low	118 Å²	118	144.2 Å²	144.2	83%	0.825	86%	0.862	S	S	*	*			cis	-168.9	131.4	-24.7	-176.9	0	0	0	0	106.4
5	A	29.1	Very low	29.7	Very low	92 Å²	92	145.8 Å²	145.8	76%	0.76	86%	0.857	S	S	*	*			trans	-155.4	130.3	172.9	0	0	0	0	0	112.4
6	Y	28.8	Very low	30.3	Very low	232 Å²	232	144.4 Å²	144.4	91%	0.91	85%	0.854	S	S	*	*			trans	50.3	96.4	161.9	-90.4	-93.1	0	0	0	119.6
7	V	29.6	Very low	30.4	Very low	131 Å²	131	146.4 Å²	146.4	79%	0.794	85%	0.852	S	S	*	*			trans	-87.6	140.8	146.4	173.7	0	0	0	0	108.4	E9	V7-E9 HydrophobicContact CG1-CG 4.32Å
8	G	28.7	Very low	30.3	Very low	76 Å²	76	142.7 Å²	142.7	78%	0.784	85%	0.85	S	S	*	*			trans	-144.9	109.9	167.4	0	0	0	0	0	109.6
9	E	29.9	Very low	30.3	Very low	180 Å²	180	140.2 Å²	140.2	84%	0.841	85%	0.847	S	S	*	*			trans	-81.9	138.5	-176.2	-63.8	178.6	112.3	0	0	112.3	V7	V7-E9 HydrophobicContact CG1-CG 4.32Å
10	M	25.3	Very low	30.2	Very low	195 Å²	195	140.1 Å²	140.1	96%	0.961	85%	0.846	S	S	*	*			trans	-144.7	110.1	157.6	-85.8	-66.6	-128.3	0	0	108.4
11	Q	29.2	Very low	30.1	Very low	190 Å²	190	139.9 Å²	139.9	89%	0.888	85%	0.845	S	S	*	*			trans	-109.7	139.7	172.2	-161.3	164.7	31.9	0	0	109.5
12	P	39.3	Very low	30.2	Very low	122 Å²	122	134 Å²	134	79%	0.792	82%	0.824	S	S	*	*			trans	-98.8	165.5	-157.9	38.1	-37.8	0	0	0	114.9
13	A	27.8	Very low	30.5	Very low	99 Å²	99	135.7 Å²	135.7	82%	0.818	82%	0.823	S	S	*	*			trans	-156.2	148.8	161.4	0	0	0	0	0	114.5
14	A	28	Very low	30.5	Very low	94 Å²	94	135 Å²	135	78%	0.777	82%	0.82	S	S	*	*			trans	68.4	112.8	151.9	0	0	0	0	0	122.3
15	Q	34	Very low	31.5	Very low	168 Å²	168	135.5 Å²	135.5	79%	0.785	82%	0.82	S	S	*	*				43.5	148.8	106.2	-116.5	178.3	9.5	0	0	121.1
16	P	39.4	Very low	31.4	Very low	124 Å²	124	135 Å²	135	81%	0.805	82%	0.823	S	S	*	*				-147.4	178.8	92	40.1	-24.4	0	0	0	116.2
17	Q	30.7	Very low	31.7	Very low	178 Å²	178	132.9 Å²	132.9	83%	0.832	82%	0.822	S	S	*	*			trans	-106.1	158.6	165.9	-75.7	-176.8	-42.1	0	0	111.2
18	G	29.9	Very low	32.9	Very low	79 Å²	79	130.9 Å²	130.9	81%	0.814	81%	0.812	S	S	*	*			trans	-67.7	173.6	-167.7	0	0	0	0	0	118.5
19	A	29.4	Very low	33	Very low	96 Å²	96	133.8 Å²	133.8	79%	0.793	81%	0.809	S	S	*	*			trans	170.6	122.1	138.3	0	0	0	0	0	113.2
20	V	28.7	Very low	33.1	Very low	137 Å²	137	131.1 Å²	131.1	83%	0.83	81%	0.805	S	S	*	*			trans	31.3	124.5	142.1	-156.1	0	0	0	0	121
21	V	28.3	Very low	33.4	Very low	136 Å²	136	126.3 Å²	126.3	82%	0.824	80%	0.796	S	S	*	*				169.5	156.4	122.3	156.8	0	0	0	0	110
22	T	31.3	Very low	33.5	Very low	125 Å²	125	123.1 Å²	123.1	77%	0.767	80%	0.795	S	S	*	*			trans	-101.7	161.3	-166.2	-36.4	0	0	0	0	113.9
23	V	31.4	Very low	33.1	Very low	135 Å²	135	123.6 Å²	123.6	82%	0.818	80%	0.796	S	S	*	*			trans	90.8	126.6	162.3	-170.7	0	0	0	0	117.8
24	T	30.7	Very low	34.2	Very low	129 Å²	129	124.5 Å²	124.5	79%	0.791	79%	0.793	S	S	*	*			trans	-97	174.9	172.9	20.5	0	0	0	0	112.2
25	P	51.1	Low	34.5	Very low	127 Å²	127	124 Å²	124	83%	0.825	79%	0.789	S	S	*	*			cis	-129.8	170.4	-15.4	36.4	-20	0	0	0	114.2
26	G	27.6	Very low	34.2	Very low	81 Å²	81	122.5 Å²	122.5	84%	0.835	79%	0.792	S	S	*	*			trans	170.4	136.8	165	0	0	0	0	0	116.5
27	Q	35.3	Very low	33.7	Very low	189 Å²	189	122.8 Å²	122.8	88%	0.883	79%	0.792	S	S	*	*			trans	-112.9	168.2	171	-92.7	-177.7	-91.3	0	0	109.6
28	P	54.4	Low	34.7	Very low	89 Å²	89	119.6 Å²	119.6	58%	0.578	79%	0.786	S	S	*	*			cis	-138.1	-162.7	-22.8	32.3	-9	0	0	0	113.6
29	D	30.6	Very low	34.6	Very low	136 Å²	136	124 Å²	124	73%	0.727	79%	0.786	S	S	*	*			trans	111.6	115	142.9	-68	-20.1	0	0	0	123.9
30	T	31.9	Very low	34.4	Very low	125 Å²	125	128.9 Å²	128.9	77%	0.767	79%	0.789	S	S	*	*			trans	67.8	104.2	138.1	59.1	0	0	0	0	124.5
31	A	32.6	Very low	34.3	Very low	93 Å²	93	129.6 Å²	129.6	77%	0.769	79%	0.787	S	S	*	*				87.1	146.4	110	0	0	0	0	0	124.6
32	S	31.5	Very low	34.2	Very low	123 Å²	123	127 Å²	127	86%	0.86	78%	0.78	S	S	*	*			trans	95.9	148.8	154.6	75.5	0	0	0	0	121.4
33	T	30.1	Very low	34	Very low	133 Å²	133	129.7 Å²	129.7	82%	0.816	78%	0.784	S	S	*	*			trans	-132	-164.9	-171.2	53.4	0	0	0	0	108.2
34	P	50.9	Low	33.9	Very low	117 Å²	117	131.7 Å²	131.7	76%	0.76	79%	0.788	S	S	*	*			cis	-147.6	-176.8	3.8	45.2	-24.9	0	0	0	119.1
35	A	34.7	Very low	33.7	Very low	84 Å²	84	134.1 Å²	134.1	69%	0.694	79%	0.791	S	S	*	*			trans	95.3	141.4	133.1	0	0	0	0	0	125.6
36	T	28.2	Very low	32.5	Very low	137 Å²	137	134.7 Å²	134.7	84%	0.84	79%	0.792	S	S	*	*			trans	95.6	152.3	146.8	13.2	0	0	0	0	123.2
37	T	27.8	Very low	32.3	Very low	130 Å²	130	135.6 Å²	135.6	80%	0.798	79%	0.792	S	S	*	*			trans	-152	-170.3	-156.8	33.7	0	0	0	0	110.1
38	P	51.8	Low	31.9	Very low	110 Å²	110	133.2 Å²	133.2	71%	0.714	79%	0.79	S	S	*	*			cis	-131.6	-172	-41.8	35.5	-17.1	0	0	0	113.5
39	Q	27.9	Very low	30.4	Very low	173 Å²	173	133.7 Å²	133.7	81%	0.808	80%	0.801	S	S	*	*			trans	141.6	130.1	140	-81	-172.3	-13.1	0	0	114.8
40	F	25	Very low	30.2	Very low	197 Å²	197	133.3 Å²	133.3	86%	0.864	80%	0.804	S	S	*	*				-173.2	-170.2	116.7	-127	-100.6	0	0	0	113.2
41	L	26.5	Very low	30.1	Very low	152 Å²	152	133.2 Å²	133.2	80%	0.796	81%	0.805	S	S	*	*			trans	-144.4	150.5	-155.9	-142.4	163.6	0	0	0	112.7
42	A	27.3	Very low	29.7	Very low	82 Å²	82	135.2 Å²	135.2	68%	0.678	81%	0.809	S	S	*	*			trans	90.1	153.2	153.1	0	0	0	0	0	122.4
43	E	26.1	Very low	29.5	Very low	181 Å²	181	135.5 Å²	135.5	85%	0.846	81%	0.805	S	S	*	*			trans	60.8	123.9	162.1	-59.7	-165.9	118.2	0	0	122.3
44	I	29.1	Very low	29.2	Very low	177 Å²	177	135.6 Å²	135.6	91%	0.908	81%	0.805	S	S	*	*				-163.4	162.9	116.3	-104.2	166.7	0	0	0	111.1
45	Q	27.6	Very low	28	Very low	180 Å²	180	135.8 Å²	135.8	84%	0.841	80%	0.804	S	S	*	*			trans	-87.9	163	-164.8	-64.6	165.2	-2.4	0	0	115.1
46	T	24.8	Very low	28	Very low	140 Å²	140	137.3 Å²	137.3	86%	0.859	81%	0.807	S	S	*	*			trans	-76	136.9	-179.7	-22.8	0	0	0	0	113.4
47	A	25.1	Very low	27.9	Very low	100 Å²	100	137.9 Å²	137.9	83%	0.826	81%	0.81	S	S	*	*			trans	-138.1	146.1	162.3	0	0	0	0	0	109.9
48	V	25.2	Very low	27.8	Very low	139 Å²	139	135.4 Å²	135.4	84%	0.842	81%	0.81	S	S	*	*			trans	-109.5	134.8	-172	177.1	0	0	0	0	110.9
49	A	24.6	Very low	26.7	Very low	98 Å²	98	139.2 Å²	139.2	81%	0.81	82%	0.819	S	S	*	*			trans	-143.9	136.2	165.1	0	0	0	0	0	110.2
50	T	25	Very low	26.6	Very low	129 Å²	129	137.9 Å²	137.9	79%	0.791	82%	0.823	S	S	*	*			trans	-91.1	149.3	175.4	38.2	0	0	0	0	111.6
51	P	29.9	Very low	26.7	Very low	122 Å²	122	134.8 Å²	134.8	79%	0.792	82%	0.82	S	S	*	*			trans	-86.2	155.8	-179.9	35	-35.4	0	0	0	112.8
52	T	25	Very low	27.4	Very low	136 Å²	136	133 Å²	133	83%	0.834	82%	0.817	S	S	*	*			trans	-137.8	144.4	164.5	-60.1	0	0	0	0	109.4
53	V	25.9	Very low	27.4	Very low	129 Å²	129	135.2 Å²	135.2	78%	0.782	82%	0.823	S	S	*	*			trans	-75.3	142.8	-171.9	178.5	0	0	0	0	112.5
54	V	25.8	Very low	27.4	Very low	135 Å²	135	134.5 Å²	134.5	82%	0.818	82%	0.819	S	S	*	*			trans	-136.5	131.3	165.5	-179.6	0	0	0	0	110
55	T	25.4	Very low	27.2	Very low	120 Å²	120	133.7 Å²	133.7	74%	0.736	81%	0.812	S	S	*	*			trans	-98.1	136.5	176	-43.1	0	0	0	0	110.5
56	P	33.4	Very low	27.1	Very low	117 Å²	117	131 Å²	131	76%	0.76	81%	0.808	S	S	*	*			trans	-91.8	148.4	173.8	34.9	-32.8	0	0	0	113
57	T	25.7	Very low	27.2	Very low	148 Å²	148	128.9 Å²	128.9	91%	0.908	80%	0.799	S	S	*	*			trans	-133.1	145	165.6	47.9	0	0	0	0	110
58	G	27.3	Very low	27.4	Very low	78 Å²	78	130.9 Å²	130.9	80%	0.804	80%	0.8	S	S	*	*			trans	-172.3	144.2	-179.2	0	0	0	0	0	110.8
59	Q	28.4	Very low	27.5	Very low	190 Å²	190	130.8 Å²	130.8	89%	0.888	80%	0.8	S	S	*	*			trans	-117.2	155.3	-165.1	-60.2	168.2	-48.2	0	0	112.8
60	T	25.7	Very low	27.6	Very low	146 Å²	146	130.1 Å²	130.1	90%	0.896	79%	0.794	S	S	*	*				-166	161.1	126.7	9.4	0	0	0	0	111.5
61	T	27.1	Very low	27.8	Very low	132 Å²	132	128.7 Å²	128.7	81%	0.81	79%	0.789	S	S	*	*			trans	-124.7	166.5	-175.4	49	0	0	0	0	110.8
62	P	41.3	Very low	27.7	Very low	113 Å²	113	131.6 Å²	131.6	73%	0.734	79%	0.792	S	S	*	*				-150.4	156.6	97.3	39.1	-21.7	0	0	0	117.4
63	T	27.1	Very low	27.8	Very low	129 Å²	129	133.5 Å²	133.5	79%	0.791	79%	0.789	S	S	*	*			trans	20.5	141.5	150	55.5	0	0	0	0	121.8
64	E	25.7	Very low	28.4	Very low	166 Å²	166	133 Å²	133	78%	0.776	79%	0.788	S	S	*	*				-147.2	157.4	51.7	-74.4	-174.3	107.8	0	0	117.3
65	Q	25.7	Very low	28.6	Very low	160 Å²	160	130.3 Å²	130.3	75%	0.748	78%	0.78	S	S	*	*			trans	6.7	148.4	139.6	-41.3	-173.5	13.8	0	0	119.5
66	V	24.8	Very low	28.8	Very low	125 Å²	125	129.6 Å²	129.6	76%	0.758	79%	0.786	S	S	*	*			cis	-155.3	117	45.8	167.6	0	0	0	0	109.1
67	S	27.1	Very low	28.4	Very low	95 Å²	95	126.9 Å²	126.9	66%	0.664	78%	0.78	S	S	*	*				81	134.6	88.9	-49.6	0	0	0	0	119
68	V	28.4	Very low	28.5	Very low	141 Å²	141	124.9 Å²	124.9	86%	0.855	77%	0.772	S	S	*	*			trans	80.7	132.4	146.5	164.8	0	0	0	0	118.4
69	V	27.4	Very low	28.6	Very low	138 Å²	138	129.4 Å²	129.4	84%	0.836	77%	0.772	S	S	*	*			cis	-153.5	169.7	-3.8	108.9	0	0	0	0	114.7
70	A	27.8	Very low	28.4	Very low	83 Å²	83	124.9 Å²	124.9	69%	0.686	76%	0.757	S	S	*	*			trans	-85.5	164.3	-167.1	0	0	0	0	0	119
71	S	28.6	Very low	28.6	Very low	100 Å²	100	125.5 Å²	125.5	70%	0.699	75%	0.75	S	S	*	*			trans	-169	149.6	140.3	-86.8	0	0	0	0	110.5
72	Q	28.3	Very low	28.5	Very low	183 Å²	183	125.5 Å²	125.5	86%	0.855	75%	0.75	S	S	*	*			cis	-160.3	173.2	-16.4	-122.9	174.8	92.4	0	0	110
73	K	26.7	Very low	27.7	Very low	175 Å²	175	124 Å²	124	76%	0.761	75%	0.747	S	S	*	*			trans	-155	144.8	175.1	-160.3	-157.5	176.6	176.6	0	109.6
74	P	39.2	Very low	27.5	Very low	119 Å²	119	123.1 Å²	123.1	77%	0.773	75%	0.746	S	S	*	*				-132.9	147.9	102.4	9	13.9	0	0	0	112.1
75	A	29.1	Very low	27.5	Very low	78 Å²	78	124.3 Å²	124.3	65%	0.645	75%	0.752	S	S	*	*				73.3	143.5	63.3	0	0	0	0	0	113
76	A	29.7	Very low	27.4	Very low	105 Å²	105	122.7 Å²	122.7	87%	0.868	75%	0.753	S	S	*	*			cis	-157.2	172.3	0.6	0	0	0	0	0	109.1
77	G	25.4	Very low	27.4	Very low	60 Å²	60	125.3 Å²	125.3	62%	0.619	76%	0.757	S	S	*	*			cis	164.8	-162.4	-2.4	0	0	0	0	0	111.6
78	S	28.1	Very low	27.6	Very low	107 Å²	107	126.9 Å²	126.9	75%	0.748	77%	0.765	S	S	*	*			trans	62.3	140.1	160.4	38.2	0	0	0	0	119
79	Q	28.3	Very low	27.4	Very low	172 Å²	172	124.5 Å²	124.5	80%	0.804	76%	0.76	S	S	*	*			cis	-173.7	160	7.4	-114.9	175.3	-98	0	0	108.5
80	T	25.6	Very low	27.1	Very low	95 Å²	95	127.4 Å²	127.4	58%	0.583	76%	0.764	S	S	*	*			cis	-162.2	167.6	-10.9	-10.8	0	0	0	0	110.5
81	Q	29.3	Very low	27.1	Very low	159 Å²	159	129.6 Å²	129.6	74%	0.743	77%	0.769	S	S	*	*			trans	67.7	111.9	143.7	-84.4	159.7	3.4	0	0	121.8
82	T	24.6	Very low	26.7	Very low	133 Å²	133	133.5 Å²	133.5	82%	0.816	78%	0.777	S	S	*	*				78	145.5	100.9	57.1	0	0	0	0	116.6
83	A	24.2	Very low	26.5	Very low	80 Å²	80	135.1 Å²	135.1	66%	0.661	78%	0.776	S	S	*	*			cis	-160.4	136.4	-2.2	0	0	0	0	0	108.5
84	S	24	Very low	26.3	Very low	111 Å²	111	132.6 Å²	132.6	78%	0.776	78%	0.775	S	S	*	*				87.5	139.3	88.3	-52.5	0	0	0	0	117.4
85	Q	24.7	Very low	25.4	Very low	191 Å²	191	133.1 Å²	133.1	89%	0.893	78%	0.777	S	S	*	*			trans	73.3	159.3	175.3	-48.1	-176.2	-15.3	0	0	115.2
86	V	24.5	Very low	25.2	Very low	127 Å²	127	132.8 Å²	132.8	77%	0.77	77%	0.774	S	S	*	*			cis	-136.6	174.3	17.3	-178.9	0	0	0	0	112
87	Q	24.3	Very low	24.8	Very low	180 Å²	180	136.3 Å²	136.3	84%	0.841	77%	0.772	S	S	*	*			trans	-54.7	168.5	-175.7	-67	164.8	-44.2	0	0	119.8
88	P	31.6	Very low	24.8	Very low	128 Å²	128	139.7 Å²	139.7	83%	0.831	78%	0.775	S	S	*	*			trans	-91.9	162.3	171	38	-36.5	0	0	0	115.2
89	A	23.8	Very low	24.6	Very low	91 Å²	91	143.8 Å²	143.8	75%	0.752	78%	0.782	S	S	*	*			trans	-141.9	124.5	166.7	0	0	0	0	0	108
90	Q	22.1	Very low	24.3	Very low	198 Å²	198	139.1 Å²	139.1	93%	0.925	78%	0.78	S	S	*	*				81.3	137.3	73.8	-86.1	-162.9	-15.5	0	0	115.7
91	T	26.3	Very low	24.5	Very low	130 Å²	130	140.1 Å²	140.1	80%	0.798	79%	0.791	S	S	*	*			trans	-92.8	159.6	-167.4	-26.9	0	0	0	0	112.7
92	Q	21	Very low	24.4	Very low	182 Å²	182	137.7 Å²	137.7	85%	0.85	79%	0.789	S	S	*	*			trans	-138.6	139.5	166.5	-162.6	170.1	11.6	0	0	112.3
93	Y	24.1	Very low	24.4	Very low	217 Å²	217	136.9 Å²	136.9	85%	0.851	78%	0.784	S	S	*	*			trans	-123.2	136.1	177.6	-88.3	-96.7	0	0	0	110.2
94	V	21.4	Very low	24.4	Very low	121 Å²	121	141 Å²	141	73%	0.733	79%	0.789	S	S	*	*			trans	-154.4	120.6	148.8	-168.4	0	0	0	0	105.7
95	T	22	Very low	24.5	Very low	131 Å²	131	140.8 Å²	140.8	80%	0.804	79%	0.788	S	S	*	*				52.4	144.8	84.2	2	0	0	0	0	114.6
96	A	23.8	Very low	24.4	Very low	70 Å²	70	135.4 Å²	135.4	58%	0.579	78%	0.784	S	S	*	*			cis	-155.3	170.1	8.2	0	0	0	0	0	112.7
97	E	22.4	Very low	24.5	Very low	179 Å²	179	137.4 Å²	137.4	84%	0.836	79%	0.79	S	S	*	*			trans	57.3	164.9	150.1	-68.5	166.5	136.8	0	0	121.5
98	I	25.6	Very low	24.4	Very low	132 Å²	132	133.8 Å²	133.8	68%	0.677	79%	0.791	S	S	*	*				-179.9	135.2	-59.6	-97.6	167.2	0	0	0	107.5
99	Q	22.7	Very low	24.3	Very low	193 Å²	193	136.8 Å²	136.8	90%	0.902	79%	0.794	S	S	*	*			trans	63.6	150.5	170.3	-68.9	158.6	26.8	0	0	118
100	G	22.7	Very low	24.3	Very low	73 Å²	73	138.5 Å²	138.5	75%	0.753	80%	0.8	S	S	*	*			cis	-166.6	164.7	-2.6	0	0	0	0	0	113.8
101	S	28.5	Very low	24.2	Very low	117 Å²	117	135.5 Å²	135.5	82%	0.818	80%	0.796	S	S	*	*			trans	-78.3	-176.2	-177.7	-42.7	0	0	0	0	113.5
102	P	27.7	Very low	24.3	Very low	108 Å²	108	134.4 Å²	134.4	70%	0.701	79%	0.791	S	S	*	*				-152.6	144.9	106.7	38.2	-21	0	0	0	118.3
103	T	24.8	Very low	24.4	Very low	115 Å²	115	134.8 Å²	134.8	71%	0.706	79%	0.792	S	S	*	*			trans	65.3	157.1	139.1	57.3	0	0	0	0	121.1
104	Q	24.6	Very low	24.5	Very low	166 Å²	166	132 Å²	132	78%	0.776	78%	0.781	S	S	*	*			cis	-155.5	130.5	-7	-113.6	163.2	25.4	0	0	107
105	S	26.2	Very low	24.7	Very low	107 Å²	107	133.8 Å²	133.8	75%	0.748	79%	0.785	S	S	*	*				82.8	132.8	77.4	85.8	0	0	0	0	116.6
106	G	23.3	Very low	24.8	Very low	78 Å²	78	133.1 Å²	133.1	80%	0.804	78%	0.781	S	S	*	*			trans	-161.3	122.2	166	0	0	0	0	0	111.1
107	N	24.9	Very low	24.8	Very low	169 Å²	169	135.4 Å²	135.4	90%	0.904	79%	0.787	S	S	*	*			trans	-103.1	147.8	-171.3	-80.3	-15.4	0	0	0	113.2
108	A	24.1	Very low	24.9	Very low	104 Å²	104	133.1 Å²	133.1	86%	0.86	79%	0.786	S	S	*	*			trans	-153.9	140.2	150.8	0	0	0	0	0	110.4
109	Q	28.5	Very low	24.9	Very low	192 Å²	192	133 Å²	133	90%	0.897	79%	0.791	S	S	*	*			trans	-109.1	156.6	176.3	-63.3	167.1	-70.4	0	0	110.2
110	S	23	Very low	25	Very low	126 Å²	126	130.1 Å²	130.1	88%	0.881	79%	0.787	S	S	*	*			trans	-158.2	157.6	159.7	-83.3	0	0	0	0	111.4
111	T	21.8	Very low	25.3	Very low	136 Å²	136	136.3 Å²	136.3	83%	0.834	80%	0.796	S	S	*	*			trans	-100.3	156.9	-163.9	44.3	0	0	0	0	114.3
112	P	27	Very low	25.2	Very low	106 Å²	106	134.3 Å²	134.3	69%	0.688	79%	0.794	S	S	*	*			trans	-82.7	154.4	175.5	33.9	-35.2	0	0	0	113
113	Q	23.6	Very low	25	Very low	190 Å²	190	134.9 Å²	134.9	89%	0.888	80%	0.801	S	S	*	*			trans	-118.9	144.6	164.8	-77.1	-172.1	-33.5	0	0	110.3
114	Y	26.2	Very low	25.1	Very low	158 Å²	158	136.5 Å²	136.5	62%	0.62	80%	0.804	S	S	*	*			trans	-89.7	148.3	178.8	-61.4	-93.8	0	0	0	111.2	S789	Y114-S789 WeakPolarHBondContact CE1-O 3.19Å
115	I	25.2	Very low	25.1	Very low	159 Å²	159	136.8 Å²	136.8	82%	0.815	81%	0.805	S	S	*	*			trans	-128.7	123.8	164.6	-65.1	-179.3	0	0	0	108.1
116	V	25.3	Very low	25	Very low	117 Å²	117	136.5 Å²	136.5	71%	0.709	80%	0.803	S	S	*	*			trans	-82.3	137.6	174.6	177.4	0	0	0	0	109.2
117	V	23.3	Very low	25.1	Very low	118 Å²	118	137.7 Å²	137.7	72%	0.715	80%	0.799	S	S	*	*			trans	-125.6	113.8	170	-179.3	0	0	0	0	108.7	V119	V117-V119 HydrophobicContact CG1-CG2 4.5Å
118	T	23.5	Very low	25.1	Very low	131 Å²	131	137.2 Å²	137.2	80%	0.804	80%	0.797	S	S	*	*			trans	-81.5	144.6	167.5	40.5	0	0	0	0	110.1
119	V	25.8	Very low	25.1	Very low	131 Å²	131	137.5 Å²	137.5	79%	0.794	79%	0.792	S	S	*	*			trans	-126.6	122.6	173.7	-175	0	0	0	0	107.8	V117	V117-V119 HydrophobicContact CG1-CG2 4.5Å
120	T	26	Very low	25	Very low	132 Å²	132	135.1 Å²	135.1	81%	0.81	79%	0.791	S	S	*	*			trans	-89.6	136	171.4	48.6	0	0	0	0	109.9
121	E	27.3	Very low	25.1	Very low	202 Å²	202	134.5 Å²	134.5	94%	0.944	79%	0.786	S	S	*	*			trans	-64.2	151.5	178.1	-62.8	-178.2	118.2	0	0	112.5
122	G	26.9	Very low	25.1	Very low	76 Å²	76	134.9 Å²	134.9	78%	0.784	78%	0.783	S	S	*	*			trans	-125.1	113.6	171.2	0	0	0	0	0	109.7
123	S	24.2	Very low	25.1	Very low	120 Å²	120	135.4 Å²	135.4	84%	0.839	79%	0.789	S	S	*	*			trans	-68.6	160.5	-178.1	-166.7	0	0	0	0	113
124	L	27.3	Very low	25.2	Very low	148 Å²	148	131.5 Å²	131.5	78%	0.775	78%	0.783	S	S	*	*			trans	-79.6	-174.6	171.5	-70.4	163.9	0	0	0	111.7
125	H	24.5	Very low	25.7	Very low	173 Å²	173	129.7 Å²	129.7	80%	0.801	79%	0.791	S	S	*	*			trans	77.8	145.5	-176.1	-46.6	-79.2	0	0	0	114.1
126	S	24.6	Very low	25.9	Very low	100 Å²	100	128 Å²	128	70%	0.699	79%	0.79	S	S	*	*			cis	-153.1	165.1	8.1	-135.9	0	0	0	0	114.6
127	S	24.1	Very low	26.3	Very low	104 Å²	104	128.7 Å²	128.7	73%	0.727	80%	0.797	S	S	*	*			trans	51.1	122.7	149.7	62.3	0	0	0	0	122.2
128	D	24.2	Very low	26.6	Very low	158 Å²	158	127.7 Å²	127.7	85%	0.845	80%	0.801	S	S	*	*			trans	-71.9	163.4	150.9	-84.7	-59	0	0	0	112.4
129	S	24.7	Very low	26.7	Very low	110 Å²	110	128.1 Å²	128.1	77%	0.769	80%	0.803	S	S	*	*			trans	-151.8	116	163.9	-73.4	0	0	0	0	109.6
130	V	25.9	Very low	26.8	Very low	142 Å²	142	127.3 Å²	127.3	86%	0.861	80%	0.798	S	S	*	*			trans	-87.7	150.1	177.9	-166.4	0	0	0	0	108.8
131	S	25.5	Very low	26.8	Very low	113 Å²	113	129.1 Å²	129.1	79%	0.79	80%	0.798	S	S	*	*			trans	-142.9	126.5	170.4	-67.7	0	0	0	0	111.4
132	D	23	Very low	26.6	Very low	145 Å²	145	126 Å²	126	78%	0.775	79%	0.792	S	S	*	*			trans	-84.9	152.6	176.1	-178.8	26	0	0	0	110.9
133	S	25.6	Very low	26.5	Very low	116 Å²	116	125.7 Å²	125.7	81%	0.811	79%	0.79	S	S	*	*			trans	-165.5	121.8	173.4	-81.2	0	0	0	0	112.8
134	S	25.5	Very low	26.4	Very low	108 Å²	108	126.7 Å²	126.7	76%	0.755	79%	0.79	S	S	*	*	P	Polyproline II helix	trans	-87.6	163.9	177.7	-79.3	0	0	0	0	113.9
135	P	37.2	Very low	27.2	Very low	120 Å²	120	124.7 Å²	124.7	78%	0.779	79%	0.786	S	S	*	*	P	Polyproline II helix	trans	-99.5	157.4	-164	37.7	-36.6	0	0	0	116.4
136	P	30.1	Very low	27.2	Very low	123 Å²	123	121.3 Å²	121.3	80%	0.799	78%	0.778	S	S	*	*	P	Polyproline II helix	trans	-99.6	168.4	166.3	36.8	-31.2	0	0	0	114.2
137	P	34.2	Very low	27.2	Very low	133 Å²	133	125.1 Å²	125.1	86%	0.864	78%	0.784	S	S	*	*			trans	-103.1	-178.2	-155.3	40.2	-37.9	0	0	0	117.2
138	A	29	Very low	27	Very low	97 Å²	97	125.4 Å²	125.4	80%	0.802	78%	0.782	S	S	*	*			trans	-99.1	158.3	-170.1	0	0	0	0	0	116
139	V	25.8	Very low	27	Very low	139 Å²	139	123.8 Å²	123.8	84%	0.842	78%	0.777	S	S	*	*			trans	-137.4	101.4	171.6	-176.7	0	0	0	0	112.9
140	V	26.4	Very low	26.9	Very low	114 Å²	114	126.1 Å²	126.1	69%	0.691	78%	0.776	S	S	*	*			trans	33.4	110.4	130.6	-175.2	0	0	0	0	121
141	Q	26.5	Very low	26.9	Very low	171 Å²	171	126.3 Å²	126.3	80%	0.799	77%	0.768	S	S	*	*			trans	56.1	163.3	137	-57.7	179.4	-8.6	0	0	120
142	T	24.6	Very low	26.8	Very low	135 Å²	135	127.6 Å²	127.6	83%	0.828	77%	0.77	S	S	*	*			cis	-157.3	161.6	5.8	-12.9	0	0	0	0	110.1
143	G	24.5	Very low	26.9	Very low	71 Å²	71	129 Å²	129	73%	0.732	77%	0.772	S	S	*	*			trans	142.5	117.7	157.5	0	0	0	0	0	117.6
144	V	20.6	Very low	26.8	Very low	140 Å²	140	128.5 Å²	128.5	85%	0.848	78%	0.775	S	S	*	*			trans	-159.9	158.4	-175.6	173.9	0	0	0	0	108.1
145	P	44.5	Very low	26.7	Very low	107 Å²	107	127.8 Å²	127.8	70%	0.695	78%	0.776	S	S	*	*			cis	-111	-148	-18.2	35.4	-19.3	0	0	0	112.6
146	T	25.3	Very low	26.2	Very low	101 Å²	101	130.4 Å²	130.4	62%	0.62	78%	0.778	S	S	*	*				177.7	121.1	78.2	-54.4	0	0	0	0	114
147	Q	23.8	Very low	25.9	Very low	180 Å²	180	133.3 Å²	133.3	84%	0.841	78%	0.78	S	S	*	*			trans	65.6	168.4	145.1	-69.5	-171.3	19.6	0	0	123.8
148	V	20.9	Very low	25.5	Very low	111 Å²	111	137.7 Å²	137.7	67%	0.673	78%	0.78	S	S	*	*				-146.6	171.9	-59.1	-152.4	0	0	0	0	109.5
149	V	23.2	Very low	25.1	Very low	123 Å²	123	138.6 Å²	138.6	75%	0.745	78%	0.78	S	S	*	*			trans	67.3	159.8	159	-74.8	0	0	0	0	119.1
150	Q	23.4	Very low	25.2	Very low	160 Å²	160	136.6 Å²	136.6	75%	0.748	77%	0.768	S	S	*	*			cis	-142.5	162.7	9.6	-172.8	58.6	40.5	0	0	112.4
151	Q	26.3	Very low	25.1	Very low	146 Å²	146	138 Å²	138	68%	0.682	78%	0.777	S	S	*	*			trans	-97.7	146.2	177.5	173.9	-166.2	11.7	0	0	113.5
152	V	22.9	Very low	24.9	Very low	140 Å²	140	138.2 Å²	138.2	85%	0.848	78%	0.778	S	S	*	*			trans	-144.6	149.5	163.4	-174	0	0	0	0	111.6
153	Q	25.4	Very low	24.9	Very low	174 Å²	174	136.4 Å²	136.4	81%	0.813	78%	0.777	S	S	*	*			trans	-118.2	155.1	172.1	-63.8	174	-69.4	0	0	111.7
154	A	23.7	Very low	24.8	Very low	106 Å²	106	138.8 Å²	138.8	88%	0.876	78%	0.777	S	S	*	*			trans	-151.8	161.1	161.4	0	0	0	0	0	110.1
155	A	22.4	Very low	25	Very low	93 Å²	93	137 Å²	137	77%	0.769	77%	0.771	S	S	*	*			trans	-153.6	168.5	-166.5	0	0	0	0	0	115.6
156	Q	25.8	Very low	24	Very low	174 Å²	174	140.9 Å²	140.9	81%	0.813	78%	0.78	S	S	*	*			trans	71.6	165.8	171.2	-47	-169.5	-11.7	0	0	115
157	Q	25.1	Very low	24.3	Very low	184 Å²	184	144 Å²	144	86%	0.86	79%	0.791	S	S	*	*			cis	-133.7	178.4	15.2	-75.1	-178.1	-10.9	0	0	114.4
158	R	25.3	Very low	24.2	Very low	226 Å²	226	140.2 Å²	140.2	85%	0.853	79%	0.79	S	S	*	*			trans	-120	146.7	-175.7	175.9	-170.2	-175.3	-169.2	5.1	110.2	V160	R158-V160 HydrophobicContact CG-CG2 4.24Å
159	S	21.4	Very low	24.5	Very low	115 Å²	115	144.6 Å²	144.6	80%	0.804	80%	0.8	S	S	*	*			trans	-141.1	155.3	164	-168.4	0	0	0	0	111
160	V	26.3	Very low	24.5	Very low	98 Å²	98	146 Å²	146	59%	0.594	81%	0.809	S	S	*	*			trans	-148.9	133.4	-169.8	-177.7	0	0	0	0	110.9	R158	R158-V160 HydrophobicContact CG-CG2 4.24Å
161	V	24.2	Very low	24.4	Very low	144 Å²	144	146.7 Å²	146.7	87%	0.873	81%	0.813	S	S	*	*			trans	-142.9	149	162.2	-173.2	0	0	0	0	108.7
162	Q	23.8	Very low	25.2	Very low	174 Å²	174	145.3 Å²	145.3	81%	0.813	82%	0.816	S	S	*	*			trans	-144.2	137.4	-169.5	-180	-176.8	7.2	0	0	111
163	A	23.2	Very low	25.2	Very low	98 Å²	98	141.8 Å²	141.8	81%	0.81	81%	0.808	S	S	*	*			trans	-155.9	80.3	179.3	0	0	0	0	0	115.9
164	T	22.8	Very low	25.2	Very low	121 Å²	121	139.7 Å²	139.7	74%	0.742	81%	0.807	S	S	*	*			trans	29.3	109.8	132.3	-48.2	0	0	0	0	123.1
165	S	24.8	Very low	25.2	Very low	103 Å²	103	142.4 Å²	142.4	72%	0.72	80%	0.802	S	S	*	*			trans	57.5	140.2	131	-48.7	0	0	0	0	124.8
166	Q	25	Very low	25.3	Very low	188 Å²	188	145.1 Å²	145.1	88%	0.879	80%	0.803	S	S	*	*				178.2	172.1	98.6	-90.9	-165.9	25.4	0	0	114.2
167	I	29.6	Very low	25.2	Very low	167 Å²	167	141.5 Å²	141.5	86%	0.856	80%	0.797	S	S	*	*			trans	-136	146.2	-180	-64.3	172.2	0	0	0	109.2
168	A	23.1	Very low	25.1	Very low	100 Å²	100	138.5 Å²	138.5	83%	0.826	79%	0.791	S	S	*	*			trans	-147.4	158.5	172.1	0	0	0	0	0	113.4
169	K	26.1	Very low	25.1	Very low	203 Å²	203	133.1 Å²	133.1	88%	0.883	78%	0.783	S	S	*	*			trans	-165.1	122.8	-173.6	-178.4	-171.3	-176.3	-173.6	0	111.9
170	T	23.1	Very low	25.2	Very low	151 Å²	151	133.8 Å²	133.8	93%	0.926	78%	0.777	S	S	*	*			trans	-163.1	166.1	171	5.6	0	0	0	0	115
171	E	22.1	Very low	25.1	Very low	176 Å²	176	135.4 Å²	135.4	82%	0.822	78%	0.782	S	S	*	*			trans	-133.8	-169.5	-179.4	-125.2	-171.8	177.6	0	0	107.9
172	P	43.3	Very low	25.1	Very low	116 Å²	116	136.5 Å²	136.5	75%	0.753	78%	0.778	S	S	*	*			cis	-132.1	-171.3	-32.7	38.4	-21.1	0	0	0	113.1
173	G	22.9	Very low	25.9	Very low	66 Å²	66	133 Å²	133	68%	0.68	77%	0.77	S	S	*	*			trans	147.5	119.3	147.6	0	0	0	0	0	123.3
174	T	25.8	Very low	25.9	Very low	130 Å²	130	133.6 Å²	133.6	80%	0.798	76%	0.763	S	S	*	*			trans	68.3	111.6	137.2	26.7	0	0	0	0	126.4
175	Q	24.2	Very low	26	Very low	163 Å²	163	135.6 Å²	135.6	76%	0.762	76%	0.764	S	S	*	*				81.9	140	119.4	-93.9	-175.9	13.1	0	0	126.5
176	L	23	Very low	26.1	Very low	151 Å²	151	136.7 Å²	136.7	79%	0.791	76%	0.761	S	S	*	*			trans	71.8	147.4	152.7	-65.2	165.4	0	0	0	118.7
177	S	23.9	Very low	26.1	Very low	98 Å²	98	133.1 Å²	133.1	69%	0.685	75%	0.752	S	S	*	*			cis	-159.5	151.5	-4.4	51.3	0	0	0	0	113.9
178	V	22.7	Very low	25.9	Very low	121 Å²	121	131.8 Å²	131.8	73%	0.733	74%	0.742	S	S	*	*			trans	13.8	140	138.7	-150.7	0	0	0	0	117.4
179	T	25.4	Very low	26.1	Very low	112 Å²	112	134.5 Å²	134.5	69%	0.687	74%	0.737	S	S	*	*				-177.4	138.3	70.7	-44.5	0	0	0	0	116.2
180	N	23.4	Very low	26.1	Very low	129 Å²	129	130.5 Å²	130.5	69%	0.69	73%	0.73	S	S	*	*			trans	60.6	130.1	146.1	-74.8	-4	0	0	0	127.4
181	L	24.7	Very low	26.2	Very low	132 Å²	132	130.9 Å²	130.9	69%	0.691	72%	0.721	S	S	*	*			trans	65.5	126.9	131.5	-57.6	169.1	0	0	0	119.8
182	Q	23.7	Very low	26.5	Very low	167 Å²	167	130.4 Å²	130.4	78%	0.78	72%	0.719	S	S	*	*				77	150.1	53.5	-85	-155.5	-15.8	0	0	115.2
183	P	40.4	Very low	25.6	Very low	101 Å²	101	133.8 Å²	133.8	66%	0.656	73%	0.725	S	S	*	*			cis	-144.4	-162.4	-35	36.5	-14.7	0	0	0	114.5
184	V	23.7	Very low	25.8	Very low	110 Å²	110	138.9 Å²	138.9	67%	0.667	74%	0.735	S	S	*	*			trans	100.2	129.3	143.9	170.1	0	0	0	0	123.2
185	H	25.8	Very low	25.7	Very low	164 Å²	164	137.7 Å²	137.7	76%	0.759	74%	0.738	S	S	*	*			trans	67.5	155.8	153.6	-74	-16.5	0	0	0	122.9
186	I	25.7	Very low	25.6	Very low	126 Å²	126	135.6 Å²	135.6	65%	0.646	74%	0.742	S	S	*	*			cis	-168.4	135.9	-25	-164.8	165.2	0	0	0	111.8
187	T	25.1	Very low	25.6	Very low	113 Å²	113	134.1 Å²	134.1	69%	0.693	74%	0.739	S	S	*	*			trans	40.6	-168.4	162.7	61.7	0	0	0	0	119.8
188	Q	25.1	Very low	25.7	Very low	139 Å²	139	135.5 Å²	135.5	65%	0.65	75%	0.745	S	S	*	*			cis	-160.5	154.5	-4.6	-145.7	154.3	-58.9	0	0	113.3
189	E	27.7	Very low	25.9	Very low	156 Å²	156	135.5 Å²	135.5	73%	0.729	75%	0.746	S	S	*	*			trans	58.9	166	151	-85.4	166.9	-129.9	0	0	121.1
190	V	26.4	Very low	25.7	Very low	119 Å²	119	139.1 Å²	139.1	72%	0.721	76%	0.755	S	S	*	*			cis	-162.3	-178.4	-35.3	117.4	0	0	0	0	109.5
191	Q	25.7	Very low	25.8	Very low	159 Å²	159	140.8 Å²	140.8	74%	0.743	76%	0.758	S	S	*	*			trans	80.1	127.5	166.4	-110.6	161.1	-8.3	0	0	117
192	Q	27.2	Very low	25.7	Very low	166 Å²	166	139.9 Å²	139.9	78%	0.776	76%	0.758	S	S	*	*			cis	90.1	112.5	25	-172.1	-165.6	81.3	0	0	115.6
193	Q	25.6	Very low	25.6	Very low	188 Å²	188	142.9 Å²	142.9	88%	0.879	76%	0.764	S	S	*	*			trans	-164	174.3	143.3	-113.7	168	39.6	0	0	113.3
194	L	25.9	Very low	24.9	Very low	173 Å²	173	142.1 Å²	142.1	91%	0.906	77%	0.766	S	S	*	*			trans	-138.7	147.8	-159.5	-155.8	82.1	0	0	0	111.5
195	A	23.8	Very low	24.9	Very low	104 Å²	104	143.8 Å²	143.8	86%	0.86	77%	0.771	S	S	*	*			trans	-153.4	162.6	170.4	0	0	0	0	0	111.8
196	S	23	Very low	24.8	Very low	120 Å²	120	144.3 Å²	144.3	84%	0.839	77%	0.773	S	S	*	*			trans	-129.3	169.3	-156.2	59	0	0	0	0	117.3
197	V	23	Very low	24.8	Very low	119 Å²	119	144.1 Å²	144.1	72%	0.721	78%	0.778	S	S	*	*			trans	-57.8	162.9	-178.7	-133.2	0	0	0	0	115.1	V199	V197-V199 HydrophobicContact CG1-CG2 3.96Å
198	P	26.6	Very low	24.6	Very low	127 Å²	127	147.3 Å²	147.3	83%	0.825	79%	0.785	S	S	*	*				-136.9	168	101.3	39.5	-29.6	0	0	0	115.6
199	V	25.7	Very low	24.6	Very low	122 Å²	122	150 Å²	150	74%	0.739	79%	0.79	S	S	*	*			trans	-123.2	152.3	179.8	170.9	0	0	0	0	109.6	V197	V197-V199 HydrophobicContact CG1-CG2 3.96Å
200	Q	21.6	Very low	24.4	Very low	188 Å²	188	148 Å²	148	88%	0.879	79%	0.789	S	S	*	*			trans	-143.8	170	166.7	-147.6	153.4	17.6	0	0	113.2
201	H	25.3	Very low	24.3	Very low	163 Å²	163	151.4 Å²	151.4	76%	0.755	80%	0.797	S	S	*	*			trans	-106.8	139.3	-145	-73.7	-104.6	0	0	0	117
202	V	21.8	Very low	24.2	Very low	114 Å²	114	147.2 Å²	147.2	69%	0.691	80%	0.796	S	S	*	*				31.3	121.9	123.1	-174.9	0	0	0	0	118.5
203	Y	22.2	Very low	24.2	Very low	230 Å²	230	142.8 Å²	142.8	90%	0.902	80%	0.795	S	S	*	*				-161.3	161.5	113.7	-118.2	-83	0	0	0	111.5
204	A	26.3	Very low	24.1	Very low	85 Å²	85	141 Å²	141	70%	0.702	79%	0.792	S	S	*	*			trans	-126.4	175.6	175.9	0	0	0	0	0	110.9
205	N	23	Very low	24.1	Very low	145 Å²	145	138 Å²	138	78%	0.775	78%	0.781	S	S	*	*			trans	125.6	153.2	135.2	-157.4	19.7	0	0	0	116.6
206	Q	23.8	Very low	24	Very low	174 Å²	174	138.7 Å²	138.7	81%	0.813	77%	0.77	S	S	*	*			trans	88.5	142.1	160.3	-47.7	-159	102.8	0	0	119.8
207	V	25.5	Very low	24.1	Very low	122 Å²	122	142.3 Å²	142.3	74%	0.739	77%	0.767	S	S	*	*			trans	-127.8	145.5	179.6	174.3	0	0	0	0	107.1	Y209	V207-Y209 HydrophobicContact CG1-CD2 4.28Å
208	Q	21.5	Very low	24.1	Very low	180 Å²	180	141.9 Å²	141.9	84%	0.841	77%	0.765	S	S	*	*			trans	-141.7	148.8	169.3	-169.6	56.9	48.5	0	0	110
209	Y	24.1	Very low	23.8	Very low	195 Å²	195	142.5 Å²	142.5	77%	0.765	77%	0.766	S	S	*	*			trans	-126.4	178.6	-167.2	-117.8	-91	0	0	0	112.4	V207	V207-Y209 HydrophobicContact CG1-CD2 4.28Å
210	V	24.2	Very low	23.7	Very low	116 Å²	116	141.3 Å²	141.3	70%	0.703	76%	0.763	S	S	*	*			trans	82.1	133.9	172.6	-171.3	0	0	0	0	113
211	E	23.7	Very low	23.9	Very low	189 Å²	189	137.3 Å²	137.3	88%	0.883	75%	0.752	S	S	*	*			cis	-144.6	171.4	10.2	-142.7	142.2	-122.9	0	0	109.6
212	G	25.2	Very low	23.9	Very low	71 Å²	71	137.8 Å²	137.8	73%	0.732	76%	0.758	S	S	*	*			cis	153.4	136.2	-11.4	0	0	0	0	0	113.5
213	G	25.5	Very low	24	Very low	73 Å²	73	142.9 Å²	142.9	75%	0.753	77%	0.765	S	S	*	*			trans	77.7	158.1	169.6	0	0	0	0	0	118.7
214	D	24.5	Very low	23.9	Very low	152 Å²	152	137.9 Å²	137.9	81%	0.813	76%	0.763	S	S	*	*			cis	-166.1	150.5	-23.7	-130.4	-34.4	0	0	0	113.5
215	T	25.2	Very low	23.8	Very low	110 Å²	110	139.3 Å²	139.3	68%	0.675	77%	0.769	S	S	*	*			trans	53.7	128.9	164	54.7	0	0	0	0	120.8
216	N	22.7	Very low	23.8	Very low	117 Å²	117	138.9 Å²	138.9	63%	0.626	77%	0.766	S	S	*	*				63.7	140.8	68.4	-69.5	-18.4	0	0	0	114.6
217	Y	24.6	Very low	23.8	Very low	196 Å²	196	139.3 Å²	139.3	77%	0.769	77%	0.766	S	S	*	*			cis	-143.3	-158.5	-3.6	-98	-43.5	0	0	0	107.8
218	T	23.8	Very low	24.1	Very low	111 Å²	111	137.8 Å²	137.8	68%	0.681	76%	0.758	S	S	*	*			cis	-165.6	173.7	19.2	-27.7	0	0	0	0	110.4
219	T	20.4	Very low	24.2	Very low	139 Å²	139	139 Å²	139	85%	0.853	76%	0.757	S	S	*	*			trans	-140.4	143.1	149.1	-76.8	0	0	0	0	109.6
220	S	24	Very low	24.3	Very low	97 Å²	97	135.2 Å²	135.2	68%	0.678	75%	0.754	S	S	*	*			trans	-131.7	165.4	-173.1	-66	0	0	0	0	109.4
221	T	25.7	Very low	24.2	Very low	104 Å²	104	137.3 Å²	137.3	64%	0.638	76%	0.756	S	S	*	*			cis	-176.3	144.9	-22.4	-83.2	0	0	0	0	105.4	R223	T221-R223 HydrophobicContact CG2-CG 4.23Å
222	I	23.8	Very low	24.4	Very low	173 Å²	173	133.7 Å²	133.7	89%	0.887	75%	0.747	S	S	*	*			trans	-124.6	144.5	156	-64	-174.9	0	0	0	108.6
223	R	24	Very low	25.3	Very low	222 Å²	222	135.4 Å²	135.4	84%	0.838	75%	0.745	S	S	*	*			trans	-105.4	159.9	-166.9	-63.8	173.5	171.3	162.6	-5.6	112.4	T221	T221-R223 HydrophobicContact CG2-CG 4.23Å
224	S	21.6	Very low	25.2	Very low	124 Å²	124	139.9 Å²	139.9	87%	0.867	75%	0.751	S	S	*	*			trans	-135.8	169.4	144.8	-76.5	0	0	0	0	109.3
225	S	22.6	Very low	25.1	Very low	116 Å²	116	142.3 Å²	142.3	81%	0.811	75%	0.75	S	S	*	*			trans	-116.4	138	-156.8	50	0	0	0	0	115.9
226	N	23	Very low	25.4	Very low	135 Å²	135	142.2 Å²	142.2	72%	0.722	75%	0.75	S	S	*	*			trans	-76.6	-176.8	158.3	-32.2	77.3	0	0	0	109.9
227	F	24	Very low	25.5	Very low	183 Å²	183	145.4 Å²	145.4	80%	0.803	76%	0.761	S	S	*	*			cis	-160.2	-171	5.1	-122.4	-24.7	0	0	0	106.5
228	P	32.7	Very low	25.5	Very low	90 Å²	90	141.3 Å²	141.3	58%	0.584	76%	0.761	S	S	*	*			cis	-103.1	-141.2	-0.9	38	-22.4	0	0	0	110.4
229	Y	23.6	Very low	25.7	Very low	206 Å²	206	142.6 Å²	142.6	81%	0.808	77%	0.769	S	S	*	*			cis	-161.2	172.1	-4.2	-122.1	-17.6	0	0	0	106.6
230	T	25.1	Very low	25.9	Very low	116 Å²	116	140.7 Å²	140.7	71%	0.712	77%	0.767	S	S	*	*			cis	-151.2	157.7	0.3	-20.6	0	0	0	0	107.5
231	E	22.9	Very low	25.9	Very low	160 Å²	160	140.4 Å²	140.4	75%	0.748	77%	0.771	S	S	*	*			trans	-164	158.9	169.1	-130.1	-67.9	87.7	0	0	111.8
232	T	27.4	Very low	26	Very low	112 Å²	112	143.3 Å²	143.3	69%	0.687	78%	0.777	S	S	*	*			trans	68.6	165.1	175.7	76.6	0	0	0	0	116.2
233	P	43.4	Very low	26	Very low	107 Å²	107	144.3 Å²	144.3	70%	0.695	77%	0.771	S	S	*	*			cis	-136.7	-179.2	4	43.8	-28.1	0	0	0	116.5
234	L	23.5	Very low	26.4	Very low	168 Å²	168	142.4 Å²	142.4	88%	0.88	77%	0.765	S	S	*	*			trans	-159.4	164.4	130.1	-132.2	73.4	0	0	0	114.9
235	Y	24.1	Very low	26.5	Very low	202 Å²	202	144.7 Å²	144.7	79%	0.792	76%	0.762	S	S	*	*			trans	-73.1	158.6	-179.6	-104.2	-142.5	0	0	0	113.4
236	T	30	Very low	26.6	Very low	109 Å²	109	142.7 Å²	142.7	67%	0.669	76%	0.76	S	S	*	*			cis	76.4	126.2	27	84	0	0	0	0	118.7
237	Q	25.3	Very low	26.7	Very low	183 Å²	183	145.4 Å²	145.4	86%	0.855	77%	0.768	S	S	*	*			trans	161.7	149.5	155.9	-177.1	171	110	0	0	110.2
238	S	25.3	Very low	27.6	Very low	111 Å²	111	141 Å²	141	78%	0.776	76%	0.758	S	S	*	*			cis	-160.8	174.9	-33.7	-91.9	0	0	0	0	112.2
239	T	26.9	Very low	27.4	Very low	137 Å²	137	143 Å²	143	84%	0.84	77%	0.769	S	S	*	*			trans	-70	160.2	-171.3	-30.2	0	0	0	0	118
240	A	24.1	Very low	27.6	Very low	100 Å²	100	138.5 Å²	138.5	83%	0.826	77%	0.768	S	S	*	*			trans	-144.1	153.5	151.3	0	0	0	0	0	111.3
241	A	25.9	Very low	27.7	Very low	91 Å²	91	137 Å²	137	75%	0.752	78%	0.775	S	S	*	*			trans	-162.6	164.3	-177.8	0	0	0	0	0	113
242	Q	26.6	Very low	28	Very low	165 Å²	165	134.4 Å²	134.4	77%	0.771	78%	0.781	S	S	*	*			trans	154.8	168.6	136.2	-85.2	-162.4	-25.7	0	0	116
243	Y	24.4	Very low	28	Very low	194 Å²	194	138.2 Å²	138.2	76%	0.761	79%	0.791	S	S	*	*			trans	80.5	128.9	166.8	-71.2	-90	0	0	0	119.3
244	Y	31.8	Very low	27.3	Very low	182 Å²	182	137.1 Å²	137.1	71%	0.714	79%	0.791	S	S	*	*			cis	-179.8	179.3	-2.5	-157.6	-102.8	0	0	0	110.4
245	E	24.6	Very low	27.4	Very low	171 Å²	171	134.7 Å²	134.7	80%	0.799	79%	0.788	S	S	*	*			trans	65.6	143.6	169.8	-124.1	85.3	-115.5	0	0	117.7
246	G	24.8	Very low	27.4	Very low	75 Å²	75	130.5 Å²	130.5	77%	0.773	79%	0.788	S	S	*	*			cis	-167.7	-178	0.1	0	0	0	0	0	113.6
247	Q	24	Very low	27.9	Very low	191 Å²	191	131.5 Å²	131.5	89%	0.893	80%	0.797	S	S	*	*			trans	-112.4	-177.5	-171.7	-118.8	-172.2	-29.5	0	0	111.9
248	P	42.4	Very low	28	Very low	90 Å²	90	125.6 Å²	125.6	58%	0.584	79%	0.785	S	S	*	*			cis	-141.9	-171	-19.2	40.6	-21.3	0	0	0	116.2
249	T	29.2	Very low	28	Very low	133 Å²	133	126.8 Å²	126.8	82%	0.816	79%	0.788	S	S	*	*			trans	74	149.8	158.5	61.2	0	0	0	0	119.7
250	S	27.8	Very low	27.9	Very low	112 Å²	112	124.9 Å²	124.9	78%	0.783	78%	0.78	S	S	*	*			cis	-145.2	142	20.7	-56.5	0	0	0	0	115.9
251	G	27.3	Very low	27.9	Very low	84 Å²	84	128.2 Å²	128.2	87%	0.866	78%	0.783	S	S	*	*			trans	74.3	140.2	155.2	0	0	0	0	0	118.5
252	A	28.5	Very low	27.8	Very low	105 Å²	105	129.7 Å²	129.7	87%	0.868	78%	0.783	S	S	*	*			cis	-149.8	-178	-4.8	0	0	0	0	0	111.4
253	Q	28.9	Very low	27.7	Very low	193 Å²	193	128 Å²	128	90%	0.902	78%	0.784	S	S	*	*			trans	-84.1	175.1	-165.8	-59.6	178.9	-41.9	0	0	113.6
254	A	27	Very low	27.6	Very low	84 Å²	84	122.5 Å²	122.5	69%	0.694	78%	0.778	S	S	*	*			cis	-161.3	166.2	24.6	0	0	0	0	0	117.9
255	S	26.5	Very low	27.2	Very low	117 Å²	117	120.3 Å²	120.3	82%	0.818	78%	0.784	S	S	*	*			trans	64.9	106.6	146.1	52.2	0	0	0	0	122.8
256	S	24.8	Very low	27.2	Very low	113 Å²	113	118.7 Å²	118.7	79%	0.79	79%	0.785	S	S	*	*			trans	-81.1	-166.3	141.3	-29.3	0	0	0	0	109.7
257	P	39.6	Very low	27.1	Very low	130 Å²	130	120.1 Å²	120.1	84%	0.844	79%	0.79	S	S	*	*			cis	-126.5	-170.9	1.5	42.8	-25.4	0	0	0	112.9
258	G	27.1	Very low	27.1	Very low	60 Å²	60	114.7 Å²	114.7	62%	0.619	79%	0.786	S	S	*	*			cis	157	-171.3	-6.3	0	0	0	0	0	111.9
259	T	26.8	Very low	26.3	Very low	136 Å²	136	114.7 Å²	114.7	83%	0.834	79%	0.793	S	S	*	*			trans	57.5	121.3	171.7	52.8	0	0	0	0	118.1
260	S	23.2	Very low	26.1	Very low	96 Å²	96	115.1 Å²	115.1	67%	0.671	80%	0.796	S	S	*	*			cis	84.8	118	37.2	79	0	0	0	0	115.9
261	L	24.9	Very low	25.9	Very low	170 Å²	170	114 Å²	114	89%	0.89	80%	0.802	S	S	*	*			trans	-175.2	149.6	130.6	-104.9	142.9	0	0	0	115.3
262	T	24.2	Very low	25.8	Very low	122 Å²	122	113.9 Å²	113.9	75%	0.748	80%	0.8	S	S	*	*			trans	-72.5	-171.9	-167.7	-20.3	0	0	0	0	117.3
263	V	23.8	Very low	25.6	Very low	130 Å²	130	116 Å²	116	79%	0.788	80%	0.802	S	S	*	*			trans	88.3	123.5	166.7	-168.3	0	0	0	0	114.8
264	A	23.3	Very low	25.3	Very low	78 Å²	78	112.2 Å²	112.2	65%	0.645	80%	0.797	S	S	*	*			cis	115.7	140.3	0.6	0	0	0	0	0	116
265	V	23.1	Very low	25.2	Very low	137 Å²	137	115.8 Å²	115.8	83%	0.83	80%	0.801	S	S	*	*			trans	63	153.1	173.8	-121.1	0	0	0	0	114.8
266	T	23.2	Very low	25	Very low	136 Å²	136	120.2 Å²	120.2	83%	0.834	81%	0.806	S	S	*	*			cis	-145.9	175.9	8.5	-39.6	0	0	0	0	111.4
267	A	24.3	Very low	25	Very low	105 Å²	105	120.6 Å²	120.6	87%	0.868	80%	0.804	S	S	*	*			trans	-87.3	164.8	-173.3	0	0	0	0	0	116.6
268	G	23.5	Very low	24.2	Very low	78 Å²	78	119.1 Å²	119.1	80%	0.804	80%	0.802	S	S	*	*			trans	144.6	148.6	165.8	0	0	0	0	0	111.9
269	A	25.5	Very low	24	Very low	89 Å²	89	125.1 Å²	125.1	74%	0.736	81%	0.814	S	S	*	*			cis	174.2	123.9	-23.6	0	0	0	0	0	105.2
270	T	24.9	Very low	24.6	Very low	143 Å²	143	123.6 Å²	123.6	88%	0.877	81%	0.807	S	S	*	*			trans	47.3	105.4	156.4	55.6	0	0	0	0	121.6
271	G	24.6	Very low	24.7	Very low	88 Å²	88	124.6 Å²	124.6	91%	0.907	81%	0.809	S	S	*	*				86.9	167.2	125.8	0	0	0	0	0	119.8
272	G	24.1	Very low	24.8	Very low	81 Å²	81	122.8 Å²	122.8	84%	0.835	81%	0.805	S	S	*	*			trans	118.5	88.4	166.9	0	0	0	0	0	116.2
273	V	24.1	Very low	25.1	Very low	150 Å²	150	121.5 Å²	121.5	91%	0.909	81%	0.807	S	S	*	*			trans	-65.9	134.8	167.9	170.2	0	0	0	0	111.4
274	S	22.3	Very low	25.3	Very low	114 Å²	114	120 Å²	120	80%	0.797	81%	0.808	S	S	*	*			trans	-165.5	159.9	132.8	-156	0	0	0	0	112.8
275	M	25.8	Very low	25.5	Very low	159 Å²	159	120 Å²	120	78%	0.783	82%	0.815	S	S	*	*			trans	-89.2	157.3	171.6	-58.3	-161.9	-57.1	0	0	111.4
276	F	22.8	Very low	25.7	Very low	209 Å²	209	117.4 Å²	117.4	92%	0.917	82%	0.816	S	S	*	*			trans	-142.6	156.4	150.3	-131	-89.7	0	0	0	112.3
277	V	23.4	Very low	25.9	Very low	122 Å²	122	114.7 Å²	114.7	74%	0.739	82%	0.816	S	S	*	*			trans	-121.8	138.3	-171.2	171.2	0	0	0	0	110
278	A	22.8	Very low	26.3	Very low	99 Å²	99	113.9 Å²	113.9	82%	0.818	81%	0.809	S	S	*	*			trans	-166.3	137.7	149.3	0	0	0	0	0	112
279	Q	24.1	Very low	26.5	Very low	185 Å²	185	116.8 Å²	116.8	86%	0.864	81%	0.811	S	S	*	*			trans	-143.3	134.5	169.4	-179.5	-173.2	1	0	0	110.3
280	P	38	Very low	26.6	Very low	105 Å²	105	118.5 Å²	118.5	68%	0.682	81%	0.812	S	S	*	*			trans	-116	159.5	154.2	4.7	18.4	0	0	0	110.7
281	T	25.7	Very low	26.8	Very low	116 Å²	116	117.5 Å²	117.5	71%	0.712	81%	0.806	S	S	*	*			cis	-165	144	-6.8	10.9	0	0	0	0	110
282	T	28.1	Very low	26.9	Very low	132 Å²	132	119.5 Å²	119.5	81%	0.81	80%	0.801	S	S	*	*			trans	50.5	148.1	147.8	57.3	0	0	0	0	121.6
283	A	30.1	Very low	27.3	Very low	95 Å²	95	120.5 Å²	120.5	79%	0.785	80%	0.801	S	S	*	*			cis	-175.2	166.9	-16.7	0	0	0	0	0	105.8
284	A	28.4	Very low	27.4	Very low	99 Å²	99	117.1 Å²	117.1	82%	0.818	80%	0.796	S	S	*	*			cis	-140.6	-171.5	1.1	0	0	0	0	0	107.5
285	G	26.8	Very low	27.6	Very low	77 Å²	77	114.9 Å²	114.9	79%	0.794	79%	0.791	S	S	*	*			cis	115.9	125.1	4.9	0	0	0	0	0	112.1
286	G	26.8	Very low	27.7	Very low	83 Å²	83	114.2 Å²	114.2	86%	0.856	80%	0.797	S	S	*	*			cis	170	-168.3	-0.2	0	0	0	0	0	115.9
287	G	27.7	Very low	28.1	Very low	80 Å²	80	108.2 Å²	108.2	83%	0.825	79%	0.785	S	S	*	*			trans	91.3	146.1	173.2	0	0	0	0	0	115.8
288	A	32	Very low	28.3	Very low	87 Å²	87	110.6 Å²	110.6	72%	0.719	79%	0.794	S	S	*	*			cis	-166.6	132.4	-16.3	0	0	0	0	0	112.4
289	T	29.1	Very low	28.4	Very low	139 Å²	139	109.3 Å²	109.3	85%	0.853	79%	0.791	S	S	*	*			trans	61.9	157.1	156.7	24.3	0	0	0	0	118.5
290	V	26.5	Very low	28.6	Very low	125 Å²	125	104.9 Å²	104.9	76%	0.758	78%	0.78	S	S	*	*			cis	-134.4	164.3	11.2	-174.8	0	0	0	0	111
291	V	29	Very low	28.1	Very low	122 Å²	122	106.3 Å²	106.3	74%	0.739	78%	0.778	S	S	*	*			trans	-65.6	172.9	171.8	-69.4	0	0	0	0	114.4
292	T	28.3	Very low	28.3	Very low	131 Å²	131	107.3 Å²	107.3	80%	0.804	77%	0.774	S	S	*	*			cis	-158.9	169.8	29.3	-28.2	0	0	0	0	114.3
293	A	30.6	Very low	28.2	Very low	101 Å²	101	105 Å²	105	84%	0.835	78%	0.776	S	S	*	*			trans	-42.9	169.9	176	0	0	0	0	0	119.6
294	G	26.6	Very low	28.1	Very low	79 Å²	79	105.3 Å²	105.3	81%	0.814	78%	0.779	S	S	*	*			cis	155.7	178.2	-4.7	0	0	0	0	0	114.4
295	G	27.9	Very low	28	Very low	67 Å²	67	104.3 Å²	104.3	69%	0.691	78%	0.778	S	S	*	*			trans	112.5	107.4	176.8	0	0	0	0	0	114.2
296	T	27.7	Very low	28	Very low	146 Å²	146	107.8 Å²	107.8	90%	0.896	78%	0.784	S	S	*	*				71.4	131.3	77.4	58.5	0	0	0	0	115.5
297	A	31	Very low	28	Very low	82 Å²	82	111.8 Å²	111.8	68%	0.678	79%	0.786	S	S	*	*			cis	-169.2	-176.7	-6.8	0	0	0	0	0	112
298	N	27.2	Very low	28.1	Very low	172 Å²	172	111.5 Å²	111.5	92%	0.92	78%	0.783	S	S	*	*			trans	83.2	149.5	165.2	-62.7	-9.8	0	0	0	120.1
299	G	26	Very low	28	Very low	73 Å²	73	113.3 Å²	113.3	75%	0.753	79%	0.791	S	S	*	*			trans	178.8	70.6	-178.2	0	0	0	0	0	118.8
300	S	26.5	Very low	27.9	Very low	92 Å²	92	111.8 Å²	111.8	64%	0.643	79%	0.792	S	S	*	*			trans	59.4	117.3	145.7	-56.9	0	0	0	0	124.6
301	E	28	Very low	28.2	Very low	135 Å²	135	111.2 Å²	111.2	63%	0.631	80%	0.8	S	S	*	*				2.9	149.7	127.2	-68.3	-176.2	163.5	0	0	123.1	R408 R410	E301-R408 PolarHBondContact O-NH1 2.68Å; E301-R408 PolarHBondContact O-NH2 2.66Å; E301-R408 VanDerWaalsContact O-NH2 3.16Å; E301-R410 IonicContact OE2-NH2 2.72Å; E301-R410 PolarHBondContact OE2-NH2 2.68Å; E301-R410 VanDerWaalsContact OE2-NH2 3.17Å
302	E	29.6	Very low	28	Very low	137 Å²	137	109.1 Å²	109.1	64%	0.64	80%	0.804	S	S	*	*			trans	68.5	138.5	138.9	-79.1	-171.3	154.5	0	0	122.2	R410	E302-R410 IonicContact OE2-CZ 2.66Å; E302-R410 IonicContact OE2-NE 3.11Å; E302-R410 IonicContact OE2-NH2 3.17Å; E302-R410 PolarHBondContact OE2-NH2 2.68Å
303	G	26.1	Very low	28.2	Very low	82 Å²	82	107.7 Å²	107.7	85%	0.845	80%	0.799	S	S	*	*			trans	-164.5	91.8	162.6	0	0	0	0	0	112.6
304	A	28.9	Very low	28	Very low	103 Å²	103	113.7 Å²	113.7	85%	0.851	80%	0.801	S	S	*	*			trans	-96.6	144.7	-176.1	0	0	0	0	0	113.9
305	G	26	Very low	28.1	Very low	78 Å²	78	115.9 Å²	115.9	80%	0.804	80%	0.798	S	S	*	*			trans	65.3	136.6	141.7	0	0	0	0	0	120.1
306	T	27.1	Very low	28	Very low	150 Å²	150	121 Å²	121	92%	0.92	81%	0.808	S	S	*	*			trans	-129.1	153.8	164.5	49.7	0	0	0	0	111
307	N	27.1	Very low	27.9	Very low	167 Å²	167	122.9 Å²	122.9	89%	0.893	81%	0.807	S	S	*	*			trans	-140.9	159.7	160.9	-155.7	-13	0	0	0	107.9
308	G	28.4	Very low	27.6	Very low	73 Å²	73	122.8 Å²	122.8	75%	0.753	81%	0.814	S	S	*	*			trans	-65.2	167.9	-156.2	0	0	0	0	0	117.8
309	S	29.8	Very low	27.4	Very low	126 Å²	126	117.3 Å²	117.3	88%	0.881	80%	0.798	S	S	*	*			trans	-111.7	155.7	170.4	-66.7	0	0	0	0	111
310	A	28.6	Very low	27.3	Very low	107 Å²	107	123.8 Å²	123.8	88%	0.884	80%	0.802	S	S	*	*			trans	-100.6	154.1	161.7	0	0	0	0	0	110
311	A	31.3	Very low	27.3	Very low	113 Å²	113	127.2 Å²	127.2	93%	0.934	81%	0.809	S	S	*	*			trans	-142.9	156	-174.6	0	0	0	0	0	113.1
312	G	26.3	Very low	27.1	Very low	78 Å²	78	128.6 Å²	128.6	80%	0.804	82%	0.82	S	S	*	*			trans	-172.5	130.8	170.3	0	0	0	0	0	108.2
313	S	31.9	Very low	26.8	Very low	100 Å²	100	125.5 Å²	125.5	70%	0.699	83%	0.825	S	S	*	*			trans	-161.8	137.5	-167.7	-177.2	0	0	0	0	112.4
314	Y	25.6	Very low	26.8	Very low	228 Å²	228	127.9 Å²	127.9	89%	0.894	83%	0.829	S	S	*	*			trans	-148.1	139.1	164.7	-53.1	-73.8	0	0	0	110.3
315	V	28.2	Very low	26.7	Very low	124 Å²	124	125.6 Å²	125.6	75%	0.752	82%	0.815	S	S	*	*			trans	-149.8	132.8	166.4	-175.6	0	0	0	0	108.6
316	I	27.3	Very low	27	Very low	174 Å²	174	127.8 Å²	127.8	89%	0.892	82%	0.818	S	S	*	*			trans	-138.5	157.5	162.6	-66.4	-64.6	0	0	0	107.9
317	Q	25.6	Very low	27.1	Very low	186 Å²	186	127.3 Å²	127.3	87%	0.869	81%	0.81	S	S	*	*			trans	-141.2	143.1	-153.3	168.3	-175.7	-26.5	0	0	114
318	G	24.7	Very low	27.4	Very low	80 Å²	80	124 Å²	124	83%	0.825	80%	0.8	S	S	*	*			trans	116.5	133.2	152.2	0	0	0	0	0	116.9
319	G	22.6	Very low	27.6	Very low	58 Å²	58	125.7 Å²	125.7	60%	0.598	80%	0.8	S	S	*	*			trans	174.4	55.3	-179.9	0	0	0	0	0	119.1
320	Y	23.8	Very low	27.7	Very low	209 Å²	209	124.5 Å²	124.5	82%	0.82	79%	0.792	S	S	*	*			trans	51.6	151.4	152.3	63.2	-104.8	0	0	0	124.9
321	M	26.4	Very low	27.8	Very low	164 Å²	164	124.6 Å²	124.6	81%	0.808	79%	0.786	S	S	*	*			trans	68.4	157.9	164.1	-65	-155.9	-61.2	0	0	121.3
322	L	23.6	Very low	27.7	Very low	163 Å²	163	124.7 Å²	124.7	85%	0.853	78%	0.78	S	S	*	*			cis	-176	141	-41.5	-175.4	63.5	0	0	0	108.2
323	G	23.7	Very low	28.1	Very low	72 Å²	72	126.6 Å²	126.6	74%	0.742	78%	0.781	S	S	*	*			trans	86.8	146.6	173.5	0	0	0	0	0	113.5
324	S	26.5	Very low	28.2	Very low	133 Å²	133	129.9 Å²	129.9	93%	0.93	79%	0.791	S	S	*	*			cis	-151	158	-0.7	-158.5	0	0	0	0	107.7
325	G	27.1	Very low	28.4	Very low	55 Å²	55	122.7 Å²	122.7	57%	0.567	79%	0.786	S	S	*	*			cis	155.2	130.1	-3.4	0	0	0	0	0	110.4
326	S	30.7	Very low	28.4	Very low	123 Å²	123	121 Å²	121	86%	0.86	79%	0.793	S	S	*	*			trans	68.3	156.1	171.8	-47.6	0	0	0	0	116.1
327	N	31	Very low	28.6	Very low	141 Å²	141	117.6 Å²	117.6	75%	0.754	79%	0.792	S	S	*	*			cis	-152.8	157.7	0.8	-151.1	20.9	0	0	0	112.6
328	S	33	Very low	29	Very low	96 Å²	96	114.3 Å²	114.3	67%	0.671	80%	0.796	S	S	*	*			trans	53	144.3	151.3	53.2	0	0	0	0	120
329	S	31.4	Very low	29.3	Very low	110 Å²	110	113.6 Å²	113.6	77%	0.769	79%	0.789	S	S	*	*			cis	-178.9	160.4	-0.7	44.4	0	0	0	0	106.9
330	S	31.7	Very low	29.7	Very low	101 Å²	101	117.7 Å²	117.7	71%	0.706	80%	0.797	S	S	*	*			cis	-161.1	175.1	6.6	45.7	0	0	0	0	111.4
331	S	30.7	Very low	30.2	Very low	109 Å²	109	113 Å²	113	76%	0.762	80%	0.795	S	S	*	*			trans	60.3	98.3	145.2	55.8	0	0	0	0	119.6
332	S	29.9	Very low	30.7	Very low	114 Å²	114	112.4 Å²	112.4	80%	0.797	79%	0.79	S	S	*	*			trans	-69.9	153.5	163.6	52.9	0	0	0	0	115.3
333	S	34.2	Very low	31	Very low	119 Å²	119	111.3 Å²	111.3	83%	0.832	79%	0.785	S	S	*	*			trans	-151.5	138.1	138.3	57.3	0	0	0	0	111.4
334	N	35.5	Very low	31.7	Very low	168 Å²	168	117.8 Å²	117.8	90%	0.898	79%	0.789	S	S	*	*			trans	-76.9	158.6	-179.6	-64.5	-4.4	0	0	0	111
335	G	29.3	Very low	32.2	Very low	78 Å²	78	115.5 Å²	115.5	80%	0.804	77%	0.772	S	S	*	*			cis	152.6	-179.9	-2.2	0	0	0	0	0	111.3
336	G	27.1	Very low	32.7	Very low	87 Å²	87	122 Å²	122	90%	0.897	79%	0.788	S	S	*	*			trans	113.6	80	166.4	0	0	0	0	0	117
337	A	31.7	Very low	33.3	Very low	104 Å²	104	119.4 Å²	119.4	86%	0.86	77%	0.77	S	S	*	*			trans	-149.8	121.8	157	0	0	0	0	0	109.1
338	A	34.3	Very low	34.1	Very low	117 Å²	117	117.7 Å²	117.7	97%	0.967	78%	0.775	S	S	*	*			trans	-95.3	109.2	-179.5	0	0	0	0	0	110.7
339	G	31.6	Very low	35.3	Very low	65 Å²	65	124.8 Å²	124.8	67%	0.67	79%	0.787	S	S	*	*			trans	-128.1	105.1	173.7	0	0	0	0	0	110.3	S341	G339-S341 PolarHBondContact O-N 2.66Å; G339-S341 VanDerWaalsContact O-N 3.09Å
340	N	29.9	Very low	36.9	Very low	143 Å²	143	121.1 Å²	121.1	77%	0.765	76%	0.763	S	S	*	*			trans	-71.9	104.5	-167.5	-170.2	32.6	0	0	0	112.2
341	S	34.7	Very low	39.1	Very low	112 Å²	112	118 Å²	118	78%	0.783	74%	0.742	S	S	*	*			trans	-107.1	123	178	-60.3	0	0	0	0	110.1	G339	G339-S341 PolarHBondContact O-N 2.66Å; G339-S341 VanDerWaalsContact O-N 3.09Å
342	Q	36.1	Very low	41.6	Very low	151 Å²	151	118.1 Å²	118.1	71%	0.706	74%	0.739	S	S	*	*			trans	-129.1	113.2	-179.6	-71.7	-169.5	-18.6	0	0	113.5
343	N	30.2	Very low	44.2	Very low	140 Å²	140	114.9 Å²	114.9	75%	0.749	72%	0.72	S	S	*	*			trans	56.7	85.7	142.5	-58.7	-14.1	0	0	0	120
344	Y	38.4	Very low	46.9	Very low	208 Å²	208	109.4 Å²	109.4	82%	0.816	68%	0.681	S	S	*	*			trans	-89.9	102.6	143.2	-93.3	-92.9	0	0	0	109.5
345	S	36.8	Very low	49.6	Very low	84 Å²	84	103.3 Å²	103.3	59%	0.587	65%	0.65	S	S	*	*			trans	-141.5	29.4	-171.1	59	0	0	0	0	116.6
346	H	38.5	Very low	52.5	Low	193 Å²	193	104.5 Å²	104.5	89%	0.894	64%	0.635	S	S	*	*	S	Bend	trans	-133.2	6.7	173.5	-79.7	-48.3	0	0	0	116.6
347	S	44	Very low	55.8	Low	68 Å²	68	101.6 Å²	101.6	48%	0.476	60%	0.597	S	S	.	*			trans	-86.2	-3.4	-177.2	-152.7	0	0	0	0	115.2	R349 A350	S347-R349 PolarHBondContact O-N 2.69Å; S347-A350 PolarHBondContact O-N 2.76Å
348	A	46.5	Very low	58.8	Low	105 Å²	105	96.6 Å²	96.6	87%	0.868	56%	0.556	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72	26.6	-162.5	0	0	0	0	0	117.4
349	R	59	Low	61.6	Low	245 Å²	245	94.2 Å²	94.2	93%	0.925	53%	0.526	S	S	*	.	T	Hydrogen-bonded Turn	trans	-140.1	0.7	174.7	-94.6	-173.3	177.4	162.2	-0.1	115.4	S347	S347-R349 PolarHBondContact O-N 2.69Å
350	A	64	Low	64.6	Low	32 Å²	32	95.3 Å²	95.3	26%	0.264	52%	0.517	S	S	.	.	S	Bend	trans	-81.8	139.7	170.6	0	0	0	0	0	110.3	S347 V355 L399	S347-A350 PolarHBondContact O-N 2.76Å; A350-V355 HydrophobicContact CB-CG2 4.03Å; A350-L399 HydrophobicContact CB-CD1 3.46Å; A350-L399 VanDerWaalsContact CB-CD1 3.46Å; A350-L399 HydrophobicContact CB-CD2 3.91Å; A350-L399 HydrophobicContact CB-CG 4.32Å
351	S	77.8	Confident	67.6	Low	37 Å²	37	89.4 Å²	89.4	26%	0.259	49%	0.485	S	S	.	.			trans	-69.3	137.5	171	75.6	0	0	0	0	109.3	A353 T354 V355	S351-A353 PolarHBondContact O-N 3.42Å; S351-T354 PolarHBondContact O-N 3.18Å; S351-T354 VanDerWaalsContact O-N 3.09Å; S351-T354 WeakPolarHBondContact OG-CB 3.24Å; S351-T354 PolarHBondContact OG-N 3.25Å; S351-T354 VanDerWaalsContact OG-N 3.08Å; S351-T354 PolarHBondContact OG-OG1 3.01Å; S351-T354 VanDerWaalsContact OG-OG1 3.06Å; S351-V355 PolarHBondContact O-N 3.17Å
352	P	84	Confident	70.6	Confident	110 Å²	110	84.1 Å²	84.1	71%	0.714	45%	0.448	S	S	*	.	H	α-helix	trans	-56.3	-33.6	174	-27.8	36.1	0	0	0	112.3	T354 V355 Q356	P352-T354 PolarHBondContact O-N 2.76Å; P352-V355 PolarHBondContact O-N 3.39Å; P352-Q356 WeakPolarHBondContact O-CB 3.43Å; P352-Q356 PolarHBondContact O-N 3Å
353	A	84.7	Confident	73.3	Confident	46 Å²	46	79.7 Å²	79.7	38%	0.38	43%	0.427	S	S	.	.	H	α-helix	trans	-60.7	-41.4	175.1	0	0	0	0	0	113.4	S351 W357 H382	S351-A353 PolarHBondContact O-N 3.42Å; A353-W357 VanDerWaalsContact O-CB 3.26Å; A353-W357 WeakPolarHBondContact O-CB 3.4Å; A353-W357 PolarHBondContact O-N 2.84Å; A353-H382 PolarHBondContact O-CE1 2.89Å; A353-H382 VanDerWaalsContact O-CE1 3.26Å
354	T	90.3	Very high	76.3	Confident	4 Å²	4	77.1 Å²	77.1	3%	0.025	42%	0.417	C	S	.	.	H	α-helix	trans	-72.7	-34.1	176.3	-66.7	0	0	0	0	112.2	S351 P352 L358 Y379 H382 L399	S351-T354 PolarHBondContact O-N 3.18Å; S351-T354 VanDerWaalsContact O-N 3.09Å; S351-T354 WeakPolarHBondContact OG-CB 3.24Å; S351-T354 PolarHBondContact OG-N 3.25Å; S351-T354 VanDerWaalsContact OG-N 3.08Å; S351-T354 PolarHBondContact OG-OG1 3.01Å; S351-T354 VanDerWaalsContact OG-OG1 3.06Å; P352-T354 PolarHBondContact O-N 2.76Å; T354-L358 WeakPolarHBondContact O-CB 3.17Å; T354-L358 WeakPolarHBondContact O-CG 3.3Å; T354-L358 PolarHBondContact O-N 3.33Å; T354-Y379 HydrophobicContact CG2-CD2 3.97Å; T354-Y379 HydrophobicContact CG2-CE2 3.67Å; T354-H382 WeakPolarHBondContact CA-NE2 3.44Å; T354-H382 WeakPolarHBondContact CB-NE2 3.38Å; T354-H382 PolarHBondContact N-NE2 3.09Å; T354-H382 PolarHBondContact OG1-CD2 3.29Å; T354-H382 PolarHBondContact OG1-NE2 2.93Å; T354-L399 HydrophobicContact CG2-CD2 4.02Å
355	V	92.6	Very high	78.7	Confident	41 Å²	41	67.6 Å²	67.6	25%	0.248	38%	0.381	C	S	.	.	H	α-helix	trans	-65.3	-45.7	173.4	174.6	0	0	0	0	110.6	A350 S351 P352 L358 L359 L399 V403	A350-V355 HydrophobicContact CB-CG2 4.03Å; S351-V355 PolarHBondContact O-N 3.17Å; P352-V355 PolarHBondContact O-N 3.39Å; V355-L358 PolarHBondContact O-N 3.34Å; V355-L359 HydrophobicContact CG1-CD1 4.24Å; V355-L359 WeakPolarHBondContact O-CG 3.32Å; V355-L359 PolarHBondContact O-N 2.7Å; V355-L359 VanDerWaalsContact O-N 3.11Å; V355-L399 HydrophobicContact CG2-CD1 4.16Å; V355-V403 HydrophobicContact CG1-CG2 4.07Å; V355-V403 HydrophobicContact CG2-CG2 4.23Å
356	Q	90.8	Very high	81.1	Confident	103 Å²	103	72 Å²	72	48%	0.481	39%	0.393	S	S	.	.	H	α-helix	trans	-63.1	-48.3	176.8	-169.3	60	48.7	0	0	111.3	P352 L358 L359 D360	P352-Q356 WeakPolarHBondContact O-CB 3.43Å; P352-Q356 PolarHBondContact O-N 3Å; Q356-L358 VanDerWaalsContact C-N 3.29Å; Q356-L358 PolarHBondContact O-N 3.47Å; Q356-L359 CarbonylContact O-C 3.57Å; Q356-L359 WeakPolarHBondContact O-CA 3.24Å; Q356-L359 PolarHBondContact O-N 3.37Å; Q356-D360 PolarHBondContact NE2-OD1 2.95Å; Q356-D360 WeakPolarHBondContact O-CB 3.49Å; Q356-D360 PolarHBondContact O-N 3.08Å
357	W	95.1	Very high	83.3	Confident	25 Å²	25	65.7 Å²	65.7	10%	0.095	38%	0.38	C	S	.	.	H	α-helix	trans	-57.1	-38.9	176.1	170.7	88.1	0	0	0	113.3	A353 D360 N361 Y362 H378 Y379 H382 L433	A353-W357 VanDerWaalsContact O-CB 3.26Å; A353-W357 WeakPolarHBondContact O-CB 3.4Å; A353-W357 PolarHBondContact O-N 2.84Å; W357-D360 PolarHBondContact O-N 2.76Å; W357-N361 VanDerWaalsContact CD1-ND2 3.27Å; W357-N361 PolarHBondContact NE1-ND2 3.33Å; W357-N361 WeakPolarHBondContact O-CB 3.47Å; W357-N361 PolarHBondContact O-N 2.96Å; W357-N361 PolarHBondContact O-ND2 3.12Å; W357-Y362 AromaticContact CH2-CE2 3.91Å; W357-Y362 HydrophobicContact CH2-CE2 3.91Å; W357-Y362 HydrophobicContact CZ2-CE2 4.31Å; W357-Y362 HydrophobicContact CZ3-CE2 4.23Å; W357-H378 HydrophobicContact CH2-CB 3.97Å; W357-H378 HydrophobicContact CZ2-CB 3.98Å; W357-H378 WeakPolarHBondContact CZ2-O 3.46Å; W357-Y379 HydrophobicContact CZ3-CD2 4.48Å; W357-H382 WeakPolarHBondContact CB-CE1 3.14Å; W357-H382 AromaticContact CD1-CG 3.87Å; W357-H382 AromaticContact CD1-ND1 3.24Å; W357-H382 HydrophobicContact CD2-CB 3.92Å; W357-H382 AromaticContact CD2-CG 3.64Å; W357-H382 AromaticContact CD2-ND1 3.75Å; W357-H382 AromaticContact CE2-CG 3.85Å; W357-H382 HydrophobicContact CE3-CB 4.39Å; W357-H382 HydrophobicContact CG-CB 4.35Å; W357-H382 AromaticContact CG-CE1 3.84Å; W357-H382 AromaticContact CG-CG 3.71Å; W357-H382 AromaticContact CG-ND1 3.26Å; W357-H382 VanDerWaalsContact CG-ND1 3.26Å; W357-H382 HydrophobicContact CH2-CB 4.37Å; W357-H382 HydrophobicContact CZ2-CB 3.86Å; W357-H382 AromaticContact NE1-CG 3.94Å; W357-H382 AromaticContact NE1-ND1 3.71Å; W357-L433 HydrophobicContact CZ2-CD1 3.73Å
358	L	95.7	Very high	85.5	Confident	0 Å²	0	65 Å²	65	0%	0	37%	0.372	C	S	.	.	H	α-helix	trans	-61.1	-48.7	173.2	-82	171.7	0	0	0	110.9	T354 V355 Q356 D360 N361 Y362 L375 F396 L399 V403 F404	T354-L358 WeakPolarHBondContact O-CB 3.17Å; T354-L358 WeakPolarHBondContact O-CG 3.3Å; T354-L358 PolarHBondContact O-N 3.33Å; V355-L358 PolarHBondContact O-N 3.34Å; Q356-L358 VanDerWaalsContact C-N 3.29Å; Q356-L358 PolarHBondContact O-N 3.47Å; L358-D360 PolarHBondContact O-N 2.85Å; L358-N361 PolarHBondContact O-N 3.28Å; L358-Y362 HydrophobicContact CD2-CD2 4.05Å; L358-Y362 HydrophobicContact CD2-CE2 4.24Å; L358-Y362 PolarHBondContact O-N 2.93Å; L358-L375 HydrophobicContact CD2-CD2 4.43Å; L358-F396 HydrophobicContact CD2-CZ 4.36Å; L358-L399 HydrophobicContact CD1-CG 4.39Å; L358-V403 HydrophobicContact CB-CG1 4.13Å; L358-V403 HydrophobicContact CD1-CB 4.42Å; L358-V403 HydrophobicContact CD1-CG2 4.02Å; L358-F404 HydrophobicContact CB-CE2 4.11Å; L358-F404 HydrophobicContact CD2-CE2 4.49Å; L358-F404 WeakPolarHBondContact O-CZ 3.37Å
359	L	93.4	Very high	87.7	Confident	67 Å²	67	62 Å²	62	35%	0.351	35%	0.345	S	S	.	.	H	α-helix	trans	-67.4	-31.4	179.4	-68.3	172.1	0	0	0	113.4	V355 Q356 V403 F404 K428	V355-L359 HydrophobicContact CG1-CD1 4.24Å; V355-L359 WeakPolarHBondContact O-CG 3.32Å; V355-L359 PolarHBondContact O-N 2.7Å; V355-L359 VanDerWaalsContact O-N 3.11Å; Q356-L359 CarbonylContact O-C 3.57Å; Q356-L359 WeakPolarHBondContact O-CA 3.24Å; Q356-L359 PolarHBondContact O-N 3.37Å; L359-V403 HydrophobicContact CD2-CG1 3.61Å; L359-V403 HydrophobicContact CG-CG1 3.77Å; L359-F404 HydrophobicContact CD2-CE1 4.2Å; L359-F404 HydrophobicContact CD2-CZ 4.3Å; L359-K428 WeakPolarHBondContact O-CE 3.26Å; L359-K428 PolarHBondContact O-NZ 3.08Å
360	D	93.9	Very high	89.3	Confident	87 Å²	87	50.7 Å²	50.7	47%	0.465	30%	0.303	S	S	.	.	H	α-helix	trans	-73.9	-32.4	179.2	-67.6	-21.6	0	0	0	112.2	Q356 W357 L358 K428	Q356-D360 PolarHBondContact NE2-OD1 2.95Å; Q356-D360 WeakPolarHBondContact O-CB 3.49Å; Q356-D360 PolarHBondContact O-N 3.08Å; W357-D360 PolarHBondContact O-N 2.76Å; L358-D360 PolarHBondContact O-N 2.85Å; D360-K428 WeakPolarHBondContact O-CD 3.36Å
361	N	94.1	Very high	90.8	Very high	20 Å²	20	50.9 Å²	50.9	11%	0.107	30%	0.301	C	S	.	.	H	α-helix	trans	-106.4	-20.2	-171	-69	-80.7	0	0	0	115.1	W357 L358 I427 K428 S431 L433	W357-N361 VanDerWaalsContact CD1-ND2 3.27Å; W357-N361 PolarHBondContact NE1-ND2 3.33Å; W357-N361 WeakPolarHBondContact O-CB 3.47Å; W357-N361 PolarHBondContact O-N 2.96Å; W357-N361 PolarHBondContact O-ND2 3.12Å; L358-N361 PolarHBondContact O-N 3.28Å; N361-I427 WeakPolarHBondContact O-CA 3.41Å; N361-K428 PolarHBondContact O-N 3.41Å; N361-S431 PolarHBondContact OD1-OG 3.27Å; N361-L433 HydrophobicContact CB-CD1 3.69Å; N361-L433 HydrophobicContact CB-CG 4.41Å
362	Y	95.8	Very high	91.6	Very high	1 Å²	1	52.7 Å²	52.7	0%	0.004	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	155.5	-178.4	-57.4	-85.7	0	0	0	112.2	W357 L358 L370 L375 H378 R426 I427 K428 L433	W357-Y362 AromaticContact CH2-CE2 3.91Å; W357-Y362 HydrophobicContact CH2-CE2 3.91Å; W357-Y362 HydrophobicContact CZ2-CE2 4.31Å; W357-Y362 HydrophobicContact CZ3-CE2 4.23Å; L358-Y362 HydrophobicContact CD2-CD2 4.05Å; L358-Y362 HydrophobicContact CD2-CE2 4.24Å; L358-Y362 PolarHBondContact O-N 2.93Å; Y362-L370 HydrophobicContact CD1-CD2 3.9Å; Y362-L370 HydrophobicContact CE1-CD2 3.56Å; Y362-L375 HydrophobicContact CD1-CD1 3.79Å; Y362-L375 HydrophobicContact CD2-CD1 4.3Å; Y362-L375 HydrophobicContact CE1-CD1 3.57Å; Y362-L375 HydrophobicContact CE1-CG 3.94Å; Y362-L375 HydrophobicContact CE2-CD1 4.12Å; Y362-L375 HydrophobicContact CE2-CG 4.15Å; Y362-L375 HydrophobicContact CG-CD1 4.15Å; Y362-H378 WeakPolarHBondContact OH-CB 3.35Å; Y362-H378 PolarHBondContact OH-ND1 3.37Å; Y362-R426 VanDerWaalsContact CA-O 3.32Å; Y362-R426 WeakPolarHBondContact CA-O 3.26Å; Y362-I427 HydrophobicContact CD1-CG1 3.98Å; Y362-I427 HydrophobicContact CE1-CG1 3.59Å; Y362-K428 WeakPolarHBondContact O-CE 3.36Å; Y362-L433 HydrophobicContact CE2-CD1 3.99Å; Y362-L433 WeakPolarHBondContact OH-CD1 3.42Å
363	E	94.1	Very high	92	Very high	57 Å²	57	51 Å²	51	27%	0.266	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	149.8	175.4	59.2	-174	-167.7	0	0	112.4	R426 K428	E363-R426 HydrophobicContact CG-CG 3.78Å; E363-R426 PolarHBondContact N-O 2.91Å; E363-R426 PolarHBondContact O-N 3.07Å; E363-R426 IonicContact OE1-CZ 3.2Å; E363-R426 IonicContact OE1-NE 2.81Å; E363-R426 PolarHBondContact OE1-NE 3.48Å; E363-R426 IonicContact OE1-NH2 2.69Å; E363-R426 PolarHBondContact OE1-NH2 2.99Å; E363-K428 HydrophobicContact CB-CD 4.44Å; E363-K428 HydrophobicContact CB-CG 3.9Å; E363-K428 HydrophobicContact CG-CG 3.72Å
364	T	92.6	Very high	92.3	Very high	86 Å²	86	49.3 Å²	49.3	53%	0.528	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	129.1	172.5	-51.2	0	0	0	0	109.5	G424	T364-G424 CarbonylContact C-O 3.54Å; T364-G424 VanDerWaalsContact CA-O 3.25Å; T364-G424 WeakPolarHBondContact CA-O 3.4Å; T364-G424 WeakPolarHBondContact CG2-O 3.45Å
365	A	89.9	Confident	92.5	Very high	8 Å²	8	49.1 Å²	49.1	7%	0.066	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.7	129.7	-178	0	0	0	0	0	111.1	V368 G424 R426	A365-V368 HydrophobicContact CB-CG2 3.52Å; A365-V368 WeakPolarHBondContact O-CG2 3.2Å; A365-G424 PolarHBondContact N-O 3.4Å; A365-G424 CarbonylContact O-C 3.13Å; A365-G424 WeakPolarHBondContact O-CA 3.4Å; A365-R426 HydrophobicContact CB-CB 4.5Å; A365-R426 HydrophobicContact CB-CG 3.71Å
366	E	86.4	Confident	92.6	Very high	178 Å²	178	50 Å²	50	83%	0.832	28%	0.276	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.6	161.3	179.7	-57.2	-164.3	152.6	0	0	112.5	V368	E366-V368 PolarHBondContact O-N 3.05Å
367	G	85.4	Confident	92.8	Very high	60 Å²	60	47.6 Å²	47.6	62%	0.619	27%	0.27	S	S	*	.	E	Extended strand (participates in β ladder)	trans	72.3	-20	-177.8	0	0	0	0	0	115.7	Y423	G367-Y423 WeakPolarHBondContact CA-OH 3.32Å; G367-Y423 PolarHBondContact N-OH 2.98Å
368	V	90.3	Very high	92.7	Very high	53 Å²	53	46.6 Å²	46.6	32%	0.321	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	156.1	-174.9	-65	0	0	0	0	113.6	A365 E366 G424 R426	A365-V368 HydrophobicContact CB-CG2 3.52Å; A365-V368 WeakPolarHBondContact O-CG2 3.2Å; E366-V368 PolarHBondContact O-N 3.05Å; V368-G424 PolarHBondContact O-N 3.46Å; V368-R426 HydrophobicContact CG2-CB 4.02Å; V368-R426 HydrophobicContact CG2-CG 4.46Å
369	S	91.9	Very high	92.7	Very high	43 Å²	43	47 Å²	47	30%	0.301	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141	146.7	174.9	81.1	0	0	0	0	112	H421 Y422	S369-H421 PolarHBondContact OG-ND1 3.04Å; S369-Y422 CarbonylContact C-O 3.6Å; S369-Y422 VanDerWaalsContact CA-O 3.24Å; S369-Y422 WeakPolarHBondContact CA-O 3.24Å
370	L	93	Very high	92.7	Very high	7 Å²	7	47 Å²	47	4%	0.037	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	132.2	178.6	-172.5	72.2	0	0	0	110.2	Y362 R372 L375 H421 Y422 L425 I427 M437	Y362-L370 HydrophobicContact CD1-CD2 3.9Å; Y362-L370 HydrophobicContact CE1-CD2 3.56Å; L370-R372 PolarHBondContact O-N 3.17Å; L370-L375 HydrophobicContact CD2-CB 3.86Å; L370-L375 HydrophobicContact CD2-CD1 3.61Å; L370-L375 HydrophobicContact CD2-CG 4.23Å; L370-H421 CarbonylContact O-C 3.57Å; L370-H421 VanDerWaalsContact O-CA 3.28Å; L370-H421 WeakPolarHBondContact O-CA 3.43Å; L370-H421 WeakPolarHBondContact O-CB 3.25Å; L370-Y422 PolarHBondContact N-O 3.06Å; L370-Y422 PolarHBondContact O-N 3.4Å; L370-L425 HydrophobicContact CD2-CD2 4.33Å; L370-I427 HydrophobicContact CD1-CD1 4.43Å; L370-I427 HydrophobicContact CD1-CG1 4.36Å; L370-M437 HydrophobicContact CD1-SD 4.13Å
371	P	94.4	Very high	92.6	Very high	35 Å²	35	46 Å²	46	23%	0.227	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.2	131.6	176.7	-20.5	31.2	0	0	0	111.4	S373 T374 L375	P371-S373 PolarHBondContact O-N 3Å; P371-T374 PolarHBondContact O-N 3.4Å; P371-L375 PolarHBondContact O-N 2.69Å
372	R	94.6	Very high	92.4	Very high	76 Å²	76	45.7 Å²	45.7	29%	0.287	26%	0.26	S	S	.	.	H	α-helix	trans	-58.7	-34.1	179.2	-71.6	-167.5	-180	174.5	-2.5	112.5	L370 Y376 T409 Y420 Y422	L370-R372 PolarHBondContact O-N 3.17Å; R372-Y376 WeakPolarHBondContact O-CB 3.37Å; R372-Y376 PolarHBondContact O-N 3.17Å; R372-T409 PolarHBondContact NH2-OG1 3.47Å; R372-Y420 WeakPolarHBondContact CB-O 3.33Å; R372-Y420 WeakPolarHBondContact CG-O 3.37Å; R372-Y420 PolarHBondContact N-O 3.39Å; R372-Y422 HydrophobicContact CB-CE2 4.27Å; R372-Y422 HydrophobicContact CG-CD1 4.48Å; R372-Y422 HydrophobicContact CG-CD2 3.87Å; R372-Y422 HydrophobicContact CG-CE1 4.28Å; R372-Y422 HydrophobicContact CG-CE2 3.67Å; R372-Y422 HydrophobicContact CG-CG 4.27Å
373	S	92.2	Very high	92.3	Very high	73 Å²	73	45.7 Å²	45.7	51%	0.51	26%	0.261	S	S	.	.	H	α-helix	trans	-64.1	-42.1	178.6	49.5	0	0	0	0	112.8	P371 Y376 C377	P371-S373 PolarHBondContact O-N 3Å; S373-Y376 PolarHBondContact O-N 3.44Å; S373-C377 VanDerWaalsContact O-CB 3.32Å; S373-C377 WeakPolarHBondContact O-CB 3.25Å; S373-C377 PolarHBondContact O-N 2.8Å
374	T	92.8	Very high	92.2	Very high	11 Å²	11	50.1 Å²	50.1	7%	0.067	28%	0.281	C	S	.	.	H	α-helix	trans	-66.8	-47	-179.2	-56.6	0	0	0	0	110.3	P371 Y376 C377 H378 Q440	P371-T374 PolarHBondContact O-N 3.4Å; T374-Y376 PolarHBondContact O-N 3.27Å; T374-C377 WeakPolarHBondContact O-CB 3.17Å; T374-C377 PolarHBondContact O-N 2.8Å; T374-H378 PolarHBondContact O-CD2 3.11Å; T374-H378 VanDerWaalsContact O-CD2 3.27Å; T374-H378 PolarHBondContact O-N 3.39Å; T374-Q440 PolarHBondContact OG1-OE1 3.34Å
375	L	94.1	Very high	92	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-65.7	-39.7	177.7	-168.6	153	0	0	0	112.4	L358 Y362 L370 P371 C377 H378 Y379 F396 I400 L425	L358-L375 HydrophobicContact CD2-CD2 4.43Å; Y362-L375 HydrophobicContact CD1-CD1 3.79Å; Y362-L375 HydrophobicContact CD2-CD1 4.3Å; Y362-L375 HydrophobicContact CE1-CD1 3.57Å; Y362-L375 HydrophobicContact CE1-CG 3.94Å; Y362-L375 HydrophobicContact CE2-CD1 4.12Å; Y362-L375 HydrophobicContact CE2-CG 4.15Å; Y362-L375 HydrophobicContact CG-CD1 4.15Å; L370-L375 HydrophobicContact CD2-CB 3.86Å; L370-L375 HydrophobicContact CD2-CD1 3.61Å; L370-L375 HydrophobicContact CD2-CG 4.23Å; P371-L375 PolarHBondContact O-N 2.69Å; L375-C377 VanDerWaalsContact C-N 3.35Å; L375-H378 PolarHBondContact O-N 2.74Å; L375-Y379 PolarHBondContact O-N 2.91Å; L375-F396 HydrophobicContact CD2-CE1 3.34Å; L375-F396 HydrophobicContact CD2-CZ 3.38Å; L375-I400 HydrophobicContact CD1-CD1 3.55Å; L375-I400 HydrophobicContact CD2-CD1 3.64Å; L375-I400 HydrophobicContact CG-CD1 4.3Å; L375-L425 HydrophobicContact CD1-CD2 3.48Å; L375-L425 VanDerWaalsContact CD1-CD2 3.48Å
376	Y	95.1	Very high	91.9	Very high	59 Å²	59	57.4 Å²	57.4	23%	0.231	31%	0.308	C	S	.	.	H	α-helix	trans	-65.8	-36.6	174.8	-172.6	-111.1	0	0	0	112.2	R372 S373 T374 Y379 L380 V391 A393 F396	R372-Y376 WeakPolarHBondContact O-CB 3.37Å; R372-Y376 PolarHBondContact O-N 3.17Å; S373-Y376 PolarHBondContact O-N 3.44Å; T374-Y376 PolarHBondContact O-N 3.27Å; Y376-Y379 AromaticContact CD2-CD1 3.91Å; Y376-Y379 HydrophobicContact CD2-CD1 3.91Å; Y376-Y379 AromaticContact CE2-CD1 3.86Å; Y376-Y379 HydrophobicContact CE2-CD1 3.86Å; Y376-Y379 HydrophobicContact CE2-CE1 4.2Å; Y376-Y379 WeakPolarHBondContact O-CB 3.35Å; Y376-Y379 PolarHBondContact O-N 2.92Å; Y376-L380 HydrophobicContact CD1-CD1 4.17Å; Y376-L380 HydrophobicContact CD1-CG 4.42Å; Y376-L380 HydrophobicContact CE1-CD1 3.9Å; Y376-L380 HydrophobicContact CE1-CD2 4.28Å; Y376-L380 HydrophobicContact CE1-CG 4.18Å; Y376-L380 WeakPolarHBondContact O-CG 3.41Å; Y376-L380 PolarHBondContact O-N 2.89Å; Y376-V391 PolarHBondContact OH-O 3.19Å; Y376-A393 HydrophobicContact CD1-CB 4.46Å; Y376-A393 HydrophobicContact CD2-CB 4.18Å; Y376-A393 HydrophobicContact CE1-CB 4.14Å; Y376-A393 HydrophobicContact CE2-CB 3.83Å; Y376-A393 HydrophobicContact CG-CB 4.47Å; Y376-A393 PolarHBondContact OH-N 2.79Å; Y376-F396 HydrophobicContact CD2-CB 4.3Å; Y376-F396 AromaticContact CD2-CD1 3.67Å; Y376-F396 HydrophobicContact CD2-CD1 3.67Å; Y376-F396 HydrophobicContact CD2-CE1 4.22Å; Y376-F396 HydrophobicContact CD2-CG 4.05Å; Y376-F396 HydrophobicContact CE2-CB 4.13Å; Y376-F396 HydrophobicContact CE2-CD1 4.34Å; Y376-F396 HydrophobicContact CE2-CG 4.3Å
377	C	93.8	Very high	92	Very high	53 Å²	53	58.3 Å²	58.3	36%	0.358	31%	0.309	S	S	.	.	H	α-helix	trans	-60.1	-45.9	172.1	-171.4	0	0	0	0	111.6	S373 T374 L375 Y379 L380 L381	S373-C377 VanDerWaalsContact O-CB 3.32Å; S373-C377 WeakPolarHBondContact O-CB 3.25Å; S373-C377 PolarHBondContact O-N 2.8Å; T374-C377 WeakPolarHBondContact O-CB 3.17Å; T374-C377 PolarHBondContact O-N 2.8Å; L375-C377 VanDerWaalsContact C-N 3.35Å; C377-Y379 VanDerWaalsContact C-N 3.28Å; C377-Y379 PolarHBondContact O-N 3.3Å; C377-L380 PolarHBondContact O-N 3.15Å; C377-L381 PolarHBondContact O-N 2.96Å; C377-L381 VanDerWaalsContact O-N 3.11Å
378	H	94	Very high	92.2	Very high	4 Å²	4	58.1 Å²	58.1	2%	0.019	29%	0.294	C	S	.	.	H	α-helix	trans	-62.4	-35.2	175.7	-62.9	-178.9	0	0	0	112.3	W357 Y362 T374 L375 L381 H382 L433	W357-H378 HydrophobicContact CH2-CB 3.97Å; W357-H378 HydrophobicContact CZ2-CB 3.98Å; W357-H378 WeakPolarHBondContact CZ2-O 3.46Å; Y362-H378 WeakPolarHBondContact OH-CB 3.35Å; Y362-H378 PolarHBondContact OH-ND1 3.37Å; T374-H378 PolarHBondContact O-CD2 3.11Å; T374-H378 VanDerWaalsContact O-CD2 3.27Å; T374-H378 PolarHBondContact O-N 3.39Å; L375-H378 PolarHBondContact O-N 2.74Å; H378-L381 PolarHBondContact O-N 2.96Å; H378-H382 PolarHBondContact O-N 3.45Å; H378-L433 HydrophobicContact CB-CD1 4.11Å
379	Y	94.8	Very high	92	Very high	8 Å²	8	64.1 Å²	64.1	3%	0.031	32%	0.318	C	S	.	.	H	α-helix	trans	-65.7	-40.3	173.9	167.7	-116.1	0	0	0	112.6	T354 W357 L375 Y376 C377 L381 H382 C383 P390 V391 F396	T354-Y379 HydrophobicContact CG2-CD2 3.97Å; T354-Y379 HydrophobicContact CG2-CE2 3.67Å; W357-Y379 HydrophobicContact CZ3-CD2 4.48Å; L375-Y379 PolarHBondContact O-N 2.91Å; Y376-Y379 AromaticContact CD2-CD1 3.91Å; Y376-Y379 HydrophobicContact CD2-CD1 3.91Å; Y376-Y379 AromaticContact CE2-CD1 3.86Å; Y376-Y379 HydrophobicContact CE2-CD1 3.86Å; Y376-Y379 HydrophobicContact CE2-CE1 4.2Å; Y376-Y379 WeakPolarHBondContact O-CB 3.35Å; Y376-Y379 PolarHBondContact O-N 2.92Å; C377-Y379 VanDerWaalsContact C-N 3.28Å; C377-Y379 PolarHBondContact O-N 3.3Å; Y379-L381 VanDerWaalsContact C-N 3.34Å; Y379-L381 PolarHBondContact O-N 2.62Å; Y379-H382 PolarHBondContact O-N 3.24Å; Y379-C383 WeakPolarHBondContact CE2-SG 3.44Å; Y379-C383 WeakPolarHBondContact O-CB 3.48Å; Y379-C383 PolarHBondContact O-N 3.45Å; Y379-P390 HydrophobicContact CE1-CB 4.24Å; Y379-V391 HydrophobicContact CE1-CG2 4.33Å; Y379-V391 PolarHBondContact OH-N 2.77Å; Y379-F396 HydrophobicContact CD1-CD1 4.43Å; Y379-F396 AromaticContact CD1-CD2 3.44Å; Y379-F396 HydrophobicContact CD1-CD2 3.44Å; Y379-F396 VanDerWaalsContact CD1-CD2 3.44Å; Y379-F396 AromaticContact CD1-CE2 3.64Å; Y379-F396 HydrophobicContact CD1-CE2 3.64Å; Y379-F396 AromaticContact CD1-CG 3.87Å; Y379-F396 HydrophobicContact CD1-CG 3.87Å; Y379-F396 HydrophobicContact CD1-CZ 4.2Å; Y379-F396 AromaticContact CD2-CD2 3.89Å; Y379-F396 HydrophobicContact CD2-CD2 3.89Å; Y379-F396 AromaticContact CD2-CE2 3.47Å; Y379-F396 HydrophobicContact CD2-CE2 3.47Å; Y379-F396 VanDerWaalsContact CD2-CE2 3.47Å; Y379-F396 HydrophobicContact CD2-CZ 4.29Å; Y379-F396 HydrophobicContact CE1-CB 4.34Å; Y379-F396 AromaticContact CE1-CD2 3.55Å; Y379-F396 HydrophobicContact CE1-CD2 3.55Å; Y379-F396 HydrophobicContact CE1-CE2 4.12Å; Y379-F396 HydrophobicContact CE1-CG 4.06Å; Y379-F396 HydrophobicContact CE2-CD2 4.01Å; Y379-F396 AromaticContact CE2-CE2 4Å; Y379-F396 HydrophobicContact CE2-CE2 4Å; Y379-F396 AromaticContact CG-CD2 3.61Å; Y379-F396 HydrophobicContact CG-CD2 3.61Å; Y379-F396 AromaticContact CG-CE2 3.27Å; Y379-F396 HydrophobicContact CG-CE2 3.27Å; Y379-F396 HydrophobicContact CG-CG 4.37Å; Y379-F396 AromaticContact CG-CZ 3.78Å; Y379-F396 HydrophobicContact CG-CZ 3.78Å; Y379-F396 AromaticContact CZ-CD2 3.86Å
380	L	92.8	Very high	91.9	Very high	68 Å²	68	65 Å²	65	36%	0.356	32%	0.323	S	S	.	.	H	α-helix	trans	-63	-40.1	175.2	-66.1	177.3	0	0	0	111.9	Y376 C377 C383 Q384 P390	Y376-L380 HydrophobicContact CD1-CD1 4.17Å; Y376-L380 HydrophobicContact CD1-CG 4.42Å; Y376-L380 HydrophobicContact CE1-CD1 3.9Å; Y376-L380 HydrophobicContact CE1-CD2 4.28Å; Y376-L380 HydrophobicContact CE1-CG 4.18Å; Y376-L380 WeakPolarHBondContact O-CG 3.41Å; Y376-L380 PolarHBondContact O-N 2.89Å; C377-L380 PolarHBondContact O-N 3.15Å; L380-C383 WeakPolarHBondContact O-CB 3.5Å; L380-C383 PolarHBondContact O-N 3.39Å; L380-Q384 PolarHBondContact O-N 2.85Å; L380-P390 HydrophobicContact CD2-CB 3.52Å; L380-P390 HydrophobicContact CD2-CG 4.07Å
381	L	92.2	Very high	91.8	Very high	67 Å²	67	67.4 Å²	67.4	35%	0.351	34%	0.338	S	S	.	.	H	α-helix	trans	-62.8	-48.1	174.4	-68.2	170.3	0	0	0	111.7	C377 H378 Y379 C383 Q384 E385	C377-L381 PolarHBondContact O-N 2.96Å; C377-L381 VanDerWaalsContact O-N 3.11Å; H378-L381 PolarHBondContact O-N 2.96Å; Y379-L381 VanDerWaalsContact C-N 3.34Å; Y379-L381 PolarHBondContact O-N 2.62Å; L381-C383 VanDerWaalsContact C-N 3.3Å; L381-C383 PolarHBondContact O-N 2.92Å; L381-Q384 WeakPolarHBondContact O-CB 3.44Å; L381-Q384 PolarHBondContact O-N 3.27Å; L381-E385 WeakPolarHBondContact O-CG 3.4Å; L381-E385 PolarHBondContact O-N 2.97Å
382	H	91.2	Very high	91.5	Very high	12 Å²	12	70.2 Å²	70.2	6%	0.056	35%	0.351	C	S	.	.	H	α-helix	trans	-57.3	-41.5	174	168.5	77.9	0	0	0	112.4	A353 T354 W357 H378 Y379 E385 Q386 L388	A353-H382 PolarHBondContact O-CE1 2.89Å; A353-H382 VanDerWaalsContact O-CE1 3.26Å; T354-H382 WeakPolarHBondContact CA-NE2 3.44Å; T354-H382 WeakPolarHBondContact CB-NE2 3.38Å; T354-H382 PolarHBondContact N-NE2 3.09Å; T354-H382 PolarHBondContact OG1-CD2 3.29Å; T354-H382 PolarHBondContact OG1-NE2 2.93Å; W357-H382 WeakPolarHBondContact CB-CE1 3.14Å; W357-H382 AromaticContact CD1-CG 3.87Å; W357-H382 AromaticContact CD1-ND1 3.24Å; W357-H382 HydrophobicContact CD2-CB 3.92Å; W357-H382 AromaticContact CD2-CG 3.64Å; W357-H382 AromaticContact CD2-ND1 3.75Å; W357-H382 AromaticContact CE2-CG 3.85Å; W357-H382 HydrophobicContact CE3-CB 4.39Å; W357-H382 HydrophobicContact CG-CB 4.35Å; W357-H382 AromaticContact CG-CE1 3.84Å; W357-H382 AromaticContact CG-CG 3.71Å; W357-H382 AromaticContact CG-ND1 3.26Å; W357-H382 VanDerWaalsContact CG-ND1 3.26Å; W357-H382 HydrophobicContact CH2-CB 4.37Å; W357-H382 HydrophobicContact CZ2-CB 3.86Å; W357-H382 AromaticContact NE1-CG 3.94Å; W357-H382 AromaticContact NE1-ND1 3.71Å; H378-H382 PolarHBondContact O-N 3.45Å; Y379-H382 PolarHBondContact O-N 3.24Å; H382-E385 PolarHBondContact O-N 3.23Å; H382-Q386 VanDerWaalsContact CE1-CG 3.45Å; H382-Q386 WeakPolarHBondContact CE1-CG 3.39Å; H382-Q386 WeakPolarHBondContact O-CB 3.25Å; H382-Q386 WeakPolarHBondContact O-CG 3.43Å; H382-Q386 PolarHBondContact O-N 2.91Å; H382-L388 VanDerWaalsContact NE2-CD1 3.31Å; H382-L388 WeakPolarHBondContact NE2-CD1 3.43Å
383	C	92.2	Very high	91.2	Very high	2 Å²	2	69.2 Å²	69.2	1%	0.014	36%	0.359	C	S	.	.	H	α-helix	trans	-61.3	-41.9	173.6	-86.8	0	0	0	0	112.5	Y379 L380 L381 K387 L388 P390	Y379-C383 WeakPolarHBondContact CE2-SG 3.44Å; Y379-C383 WeakPolarHBondContact O-CB 3.48Å; Y379-C383 PolarHBondContact O-N 3.45Å; L380-C383 WeakPolarHBondContact O-CB 3.5Å; L380-C383 PolarHBondContact O-N 3.39Å; L381-C383 VanDerWaalsContact C-N 3.3Å; L381-C383 PolarHBondContact O-N 2.92Å; C383-K387 CarbonylContact O-C 3.49Å; C383-K387 WeakPolarHBondContact O-CA 3.48Å; C383-K387 PolarHBondContact O-N 3.24Å; C383-L388 HydrophobicContact CB-CB 4.38Å; C383-L388 WeakPolarHBondContact CB-O 3.36Å; C383-L388 PolarHBondContact O-N 2.93Å; C383-P390 HydrophobicContact CB-CB 4.11Å
384	Q	91.6	Very high	91	Very high	150 Å²	150	69.1 Å²	69.1	70%	0.701	36%	0.362	S	S	*	.	H	α-helix	trans	-64.9	-44.7	177.1	-171.9	176.6	9.2	0	0	112.2	L380 L381 K387	L380-Q384 PolarHBondContact O-N 2.85Å; L381-Q384 WeakPolarHBondContact O-CB 3.44Å; L381-Q384 PolarHBondContact O-N 3.27Å; Q384-K387 PolarHBondContact O-N 2.99Å
385	E	89.9	Confident	90.9	Very high	142 Å²	142	71.1 Å²	71.1	66%	0.664	38%	0.377	S	S	*	.	H	α-helix	trans	-63.1	-46.4	177.6	-71.3	176	175.3	0	0	112.3	L381 H382 K387	L381-E385 WeakPolarHBondContact O-CG 3.4Å; L381-E385 PolarHBondContact O-N 2.97Å; H382-E385 PolarHBondContact O-N 3.23Å; E385-K387 VanDerWaalsContact C-N 3.3Å; E385-K387 PolarHBondContact O-N 2.75Å
386	Q	86.8	Confident	90.9	Very high	105 Å²	105	71.3 Å²	71.3	49%	0.491	38%	0.378	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.8	2.3	-178.5	-59.1	-56.8	-47.6	0	0	113.7	H382 L388	H382-Q386 VanDerWaalsContact CE1-CG 3.45Å; H382-Q386 WeakPolarHBondContact CE1-CG 3.39Å; H382-Q386 WeakPolarHBondContact O-CB 3.25Å; H382-Q386 WeakPolarHBondContact O-CG 3.43Å; H382-Q386 PolarHBondContact O-N 2.91Å; Q386-L388 HydrophobicContact CB-CD1 3.87Å; Q386-L388 HydrophobicContact CB-CG 3.82Å; Q386-L388 PolarHBondContact O-N 3.45Å
387	K	89.2	Confident	90.9	Very high	196 Å²	196	69 Å²	69	85%	0.852	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.2	35.7	-175.6	-55.3	178.9	-176.8	176.5	0	113.5	C383 Q384 E385	C383-K387 CarbonylContact O-C 3.49Å; C383-K387 WeakPolarHBondContact O-CA 3.48Å; C383-K387 PolarHBondContact O-N 3.24Å; Q384-K387 PolarHBondContact O-N 2.99Å; E385-K387 VanDerWaalsContact C-N 3.3Å; E385-K387 PolarHBondContact O-N 2.75Å
388	L	89.1	Confident	90.7	Very high	56 Å²	56	74 Å²	74	29%	0.293	39%	0.388	S	S	.	.	P	Polyproline II helix	trans	-91.1	142.3	176.3	-60.8	172.7	0	0	0	110.3	H382 C383 Q386 P390	H382-L388 VanDerWaalsContact NE2-CD1 3.31Å; H382-L388 WeakPolarHBondContact NE2-CD1 3.43Å; C383-L388 HydrophobicContact CB-CB 4.38Å; C383-L388 WeakPolarHBondContact CB-O 3.36Å; C383-L388 PolarHBondContact O-N 2.93Å; Q386-L388 HydrophobicContact CB-CD1 3.87Å; Q386-L388 HydrophobicContact CB-CG 3.82Å; Q386-L388 PolarHBondContact O-N 3.45Å; L388-P390 WeakPolarHBondContact O-CD 3.42Å
389	E	87.4	Confident	90.7	Very high	179 Å²	179	74.8 Å²	74.8	84%	0.836	39%	0.392	S	S	*	.	P	Polyproline II helix	trans	-69.4	124.9	170.1	-168.1	-179.2	173.9	0	0	110.1
390	P	89.5	Confident	90.7	Very high	62 Å²	62	74.4 Å²	74.4	40%	0.403	39%	0.39	S	S	.	.	P	Polyproline II helix	trans	-78.2	125.1	-178.2	29.6	-33.1	0	0	0	111.7	Y379 L380 C383 L388	Y379-P390 HydrophobicContact CE1-CB 4.24Å; L380-P390 HydrophobicContact CD2-CB 3.52Å; L380-P390 HydrophobicContact CD2-CG 4.07Å; C383-P390 HydrophobicContact CB-CB 4.11Å; L388-P390 WeakPolarHBondContact O-CD 3.42Å
391	V	89.7	Confident	90.7	Very high	58 Å²	58	75.8 Å²	75.8	35%	0.352	39%	0.391	S	S	.	.	P	Polyproline II helix	trans	-75.3	147.7	173.7	-50.6	0	0	0	0	110.8	Y376 Y379 F396	Y376-V391 PolarHBondContact OH-O 3.19Å; Y379-V391 HydrophobicContact CE1-CG2 4.33Å; Y379-V391 PolarHBondContact OH-N 2.77Å; V391-F396 HydrophobicContact CG2-CB 3.9Å
392	N	88.3	Confident	90.6	Very high	94 Å²	94	75.4 Å²	75.4	50%	0.503	39%	0.394	S	S	.	.	P	Polyproline II helix	trans	-56.9	154.8	-179.1	75.1	61.8	0	0	0	113.1	A394 S395 F396	N392-A394 PolarHBondContact O-N 2.98Å; N392-A394 WeakPolarHBondContact OD1-CB 3.29Å; N392-A394 PolarHBondContact OD1-N 3.1Å; N392-S395 PolarHBondContact ND2-OG 3.47Å; N392-S395 PolarHBondContact O-N 2.85Å; N392-S395 PolarHBondContact OD1-N 3.31Å; N392-S395 PolarHBondContact OD1-OG 3.27Å; N392-F396 WeakPolarHBondContact O-CB 3.36Å; N392-F396 PolarHBondContact O-N 3.19Å
393	A	88.1	Confident	90.7	Very high	55 Å²	55	76.1 Å²	76.1	46%	0.455	40%	0.399	S	S	.	.	H	α-helix	trans	-56.7	-26.7	-174.3	0	0	0	0	0	115.2	Y376 G397	Y376-A393 HydrophobicContact CD1-CB 4.46Å; Y376-A393 HydrophobicContact CD2-CB 4.18Å; Y376-A393 HydrophobicContact CE1-CB 4.14Å; Y376-A393 HydrophobicContact CE2-CB 3.83Å; Y376-A393 HydrophobicContact CG-CB 4.47Å; Y376-A393 PolarHBondContact OH-N 2.79Å; A393-G397 PolarHBondContact O-N 3.17Å
394	A	89.4	Confident	90.8	Very high	70 Å²	70	76.5 Å²	76.5	58%	0.579	40%	0.401	S	S	*	.	H	α-helix	trans	-77.9	-42.8	176.3	0	0	0	0	0	111.8	N392 G397 K398	N392-A394 PolarHBondContact O-N 2.98Å; N392-A394 WeakPolarHBondContact OD1-CB 3.29Å; N392-A394 PolarHBondContact OD1-N 3.1Å; A394-G397 PolarHBondContact O-N 3.2Å; A394-K398 PolarHBondContact O-N 2.81Å
395	S	90.4	Very high	90.7	Very high	53 Å²	53	75.8 Å²	75.8	37%	0.371	40%	0.399	S	S	.	.	H	α-helix	trans	-63.5	-44.1	172	-66.6	0	0	0	0	111.6	N392 G397 K398 L399	N392-S395 PolarHBondContact ND2-OG 3.47Å; N392-S395 PolarHBondContact O-N 2.85Å; N392-S395 PolarHBondContact OD1-N 3.31Å; N392-S395 PolarHBondContact OD1-OG 3.27Å; S395-G397 VanDerWaalsContact C-N 3.3Å; S395-G397 PolarHBondContact O-N 3.23Å; S395-K398 WeakPolarHBondContact O-CB 3.45Å; S395-K398 PolarHBondContact O-N 3.33Å; S395-L399 PolarHBondContact O-N 2.97Å; S395-L399 VanDerWaalsContact O-N 3.07Å
396	F	94.4	Very high	90.5	Very high	4 Å²	4	72.5 Å²	72.5	2%	0.018	40%	0.403	C	S	.	.	H	α-helix	trans	-62.1	-38.2	173.3	-179.6	-100.2	0	0	0	111.9	L358 L375 Y376 Y379 V391 N392 K398 L399 I400	L358-F396 HydrophobicContact CD2-CZ 4.36Å; L375-F396 HydrophobicContact CD2-CE1 3.34Å; L375-F396 HydrophobicContact CD2-CZ 3.38Å; Y376-F396 HydrophobicContact CD2-CB 4.3Å; Y376-F396 AromaticContact CD2-CD1 3.67Å; Y376-F396 HydrophobicContact CD2-CD1 3.67Å; Y376-F396 HydrophobicContact CD2-CE1 4.22Å; Y376-F396 HydrophobicContact CD2-CG 4.05Å; Y376-F396 HydrophobicContact CE2-CB 4.13Å; Y376-F396 HydrophobicContact CE2-CD1 4.34Å; Y376-F396 HydrophobicContact CE2-CG 4.3Å; Y379-F396 HydrophobicContact CD1-CD1 4.43Å; Y379-F396 AromaticContact CD1-CD2 3.44Å; Y379-F396 HydrophobicContact CD1-CD2 3.44Å; Y379-F396 VanDerWaalsContact CD1-CD2 3.44Å; Y379-F396 AromaticContact CD1-CE2 3.64Å; Y379-F396 HydrophobicContact CD1-CE2 3.64Å; Y379-F396 AromaticContact CD1-CG 3.87Å; Y379-F396 HydrophobicContact CD1-CG 3.87Å; Y379-F396 HydrophobicContact CD1-CZ 4.2Å; Y379-F396 AromaticContact CD2-CD2 3.89Å; Y379-F396 HydrophobicContact CD2-CD2 3.89Å; Y379-F396 AromaticContact CD2-CE2 3.47Å; Y379-F396 HydrophobicContact CD2-CE2 3.47Å; Y379-F396 VanDerWaalsContact CD2-CE2 3.47Å; Y379-F396 HydrophobicContact CD2-CZ 4.29Å; Y379-F396 HydrophobicContact CE1-CB 4.34Å; Y379-F396 AromaticContact CE1-CD2 3.55Å; Y379-F396 HydrophobicContact CE1-CD2 3.55Å; Y379-F396 HydrophobicContact CE1-CE2 4.12Å; Y379-F396 HydrophobicContact CE1-CG 4.06Å; Y379-F396 HydrophobicContact CE2-CD2 4.01Å; Y379-F396 AromaticContact CE2-CE2 4Å; Y379-F396 HydrophobicContact CE2-CE2 4Å; Y379-F396 AromaticContact CG-CD2 3.61Å; Y379-F396 HydrophobicContact CG-CD2 3.61Å; Y379-F396 AromaticContact CG-CE2 3.27Å; Y379-F396 HydrophobicContact CG-CE2 3.27Å; Y379-F396 HydrophobicContact CG-CG 4.37Å; Y379-F396 AromaticContact CG-CZ 3.78Å; Y379-F396 HydrophobicContact CG-CZ 3.78Å; Y379-F396 AromaticContact CZ-CD2 3.86Å; V391-F396 HydrophobicContact CG2-CB 3.9Å; N392-F396 WeakPolarHBondContact O-CB 3.36Å; N392-F396 PolarHBondContact O-N 3.19Å; F396-K398 PolarHBondContact O-N 2.9Å; F396-L399 HydrophobicContact CD2-CD2 4.43Å; F396-L399 WeakPolarHBondContact O-CB 3.27Å; F396-L399 PolarHBondContact O-N 3.12Å; F396-L399 VanDerWaalsContact O-N 3.13Å; F396-I400 PolarHBondContact O-N 3.28Å
397	G	93.3	Very high	90.7	Very high	11 Å²	11	67.9 Å²	67.9	11%	0.113	38%	0.382	C	S	.	.	H	α-helix	trans	-64.7	-15.5	172.4	0	0	0	0	0	115.2	A393 A394 S395 R401	A393-G397 PolarHBondContact O-N 3.17Å; A394-G397 PolarHBondContact O-N 3.2Å; S395-G397 VanDerWaalsContact C-N 3.3Å; S395-G397 PolarHBondContact O-N 3.23Å; G397-R401 VanDerWaalsContact O-CD 3.24Å; G397-R401 WeakPolarHBondContact O-CD 3.41Å; G397-R401 WeakPolarHBondContact O-CG 3.5Å; G397-R401 PolarHBondContact O-NE 3.06Å
398	K	90.7	Very high	90.8	Very high	158 Å²	158	63 Å²	63	69%	0.687	36%	0.358	S	S	*	.	H	α-helix	trans	-85.5	-46.2	166.4	-64.1	175.2	-177.7	-179	0	110.8	A394 S395 F396 I400 R401 S402	A394-K398 PolarHBondContact O-N 2.81Å; S395-K398 WeakPolarHBondContact O-CB 3.45Å; S395-K398 PolarHBondContact O-N 3.33Å; F396-K398 PolarHBondContact O-N 2.9Å; K398-I400 PolarHBondContact O-N 3.27Å; K398-R401 PolarHBondContact O-N 3.04Å; K398-S402 PolarHBondContact O-N 3.1Å
399	L	93.5	Very high	90.9	Very high	20 Å²	20	63 Å²	63	11%	0.105	36%	0.36	C	S	.	.	H	α-helix	trans	-53	-54.3	178.1	173.7	52.9	0	0	0	112	A350 T354 V355 L358 S395 F396 R401 S402 V403	A350-L399 HydrophobicContact CB-CD1 3.46Å; A350-L399 VanDerWaalsContact CB-CD1 3.46Å; A350-L399 HydrophobicContact CB-CD2 3.91Å; A350-L399 HydrophobicContact CB-CG 4.32Å; T354-L399 HydrophobicContact CG2-CD2 4.02Å; V355-L399 HydrophobicContact CG2-CD1 4.16Å; L358-L399 HydrophobicContact CD1-CG 4.39Å; S395-L399 PolarHBondContact O-N 2.97Å; S395-L399 VanDerWaalsContact O-N 3.07Å; F396-L399 HydrophobicContact CD2-CD2 4.43Å; F396-L399 WeakPolarHBondContact O-CB 3.27Å; F396-L399 PolarHBondContact O-N 3.12Å; F396-L399 VanDerWaalsContact O-N 3.13Å; L399-R401 PolarHBondContact O-N 3.14Å; L399-R401 VanDerWaalsContact O-N 3.11Å; L399-S402 WeakPolarHBondContact O-CA 3.47Å; L399-S402 PolarHBondContact O-N 2.9Å; L399-S402 PolarHBondContact O-OG 3.31Å; L399-V403 HydrophobicContact CD1-CG2 4Å; L399-V403 PolarHBondContact O-N 2.93Å; L399-V403 VanDerWaalsContact O-N 3.16Å
400	I	94.4	Very high	91.2	Very high	0 Å²	0	58 Å²	58	0%	0	33%	0.333	C	S	.	.	H	α-helix	trans	-59.2	-30.4	-176.9	-166.6	177.8	0	0	0	113.2	L375 F396 K398 S402 V403 F404 L407 Y422 L425	L375-I400 HydrophobicContact CD1-CD1 3.55Å; L375-I400 HydrophobicContact CD2-CD1 3.64Å; L375-I400 HydrophobicContact CG-CD1 4.3Å; F396-I400 PolarHBondContact O-N 3.28Å; K398-I400 PolarHBondContact O-N 3.27Å; I400-S402 VanDerWaalsContact C-N 3.34Å; I400-V403 PolarHBondContact O-N 2.67Å; I400-F404 HydrophobicContact CG1-CD2 3.87Å; I400-F404 HydrophobicContact CG1-CE2 4.5Å; I400-F404 PolarHBondContact O-N 2.91Å; I400-L407 HydrophobicContact CD1-CD1 4.22Å; I400-L407 HydrophobicContact CG1-CD1 4.09Å; I400-Y422 HydrophobicContact CD1-CD2 4.01Å; I400-Y422 HydrophobicContact CD1-CE2 3.87Å; I400-Y422 HydrophobicContact CG2-CE1 4.16Å; I400-Y422 HydrophobicContact CG2-CE2 4.17Å; I400-L425 HydrophobicContact CD1-CD2 3.88Å
401	R	93.1	Very high	91.3	Very high	97 Å²	97	62.3 Å²	62.3	37%	0.366	34%	0.342	S	S	.	.	H	α-helix	trans	-76.5	-19.9	177	-63.2	176.5	-176.1	-76.8	1.4	113.8	G397 K398 L399 L407 T409	G397-R401 VanDerWaalsContact O-CD 3.24Å; G397-R401 WeakPolarHBondContact O-CD 3.41Å; G397-R401 WeakPolarHBondContact O-CG 3.5Å; G397-R401 PolarHBondContact O-NE 3.06Å; K398-R401 PolarHBondContact O-N 3.04Å; L399-R401 PolarHBondContact O-N 3.14Å; L399-R401 VanDerWaalsContact O-N 3.11Å; R401-L407 PolarHBondContact NH1-O 2.94Å; R401-T409 PolarHBondContact NH2-OG1 3.07Å
402	S	90.8	Very high	91.2	Very high	60 Å²	60	63 Å²	63	42%	0.42	34%	0.343	S	S	.	.	H	α-helix	trans	-85.4	-20.9	171.1	68.3	0	0	0	0	113	K398 L399 I400	K398-S402 PolarHBondContact O-N 3.1Å; L399-S402 WeakPolarHBondContact O-CA 3.47Å; L399-S402 PolarHBondContact O-N 2.9Å; L399-S402 PolarHBondContact O-OG 3.31Å; I400-S402 VanDerWaalsContact C-N 3.34Å
403	V	93.5	Very high	91.2	Very high	27 Å²	27	61.1 Å²	61.1	16%	0.164	35%	0.346	C	S	.	.	H	α-helix	trans	-88	-45.6	174.2	-179.5	0	0	0	0	111	V355 L358 L359 L399 I400	V355-V403 HydrophobicContact CG1-CG2 4.07Å; V355-V403 HydrophobicContact CG2-CG2 4.23Å; L358-V403 HydrophobicContact CB-CG1 4.13Å; L358-V403 HydrophobicContact CD1-CB 4.42Å; L358-V403 HydrophobicContact CD1-CG2 4.02Å; L359-V403 HydrophobicContact CD2-CG1 3.61Å; L359-V403 HydrophobicContact CG-CG1 3.77Å; L399-V403 HydrophobicContact CD1-CG2 4Å; L399-V403 PolarHBondContact O-N 2.93Å; L399-V403 VanDerWaalsContact O-N 3.16Å; I400-V403 PolarHBondContact O-N 2.67Å
404	F	94.3	Very high	90.8	Very high	10 Å²	10	63.4 Å²	63.4	4%	0.044	35%	0.354	C	S	.	.	S	Bend	trans	-112.1	102	176.6	-61.1	-75	0	0	0	109.7	L358 L359 I400 L407 L425	L358-F404 HydrophobicContact CB-CE2 4.11Å; L358-F404 HydrophobicContact CD2-CE2 4.49Å; L358-F404 WeakPolarHBondContact O-CZ 3.37Å; L359-F404 HydrophobicContact CD2-CE1 4.2Å; L359-F404 HydrophobicContact CD2-CZ 4.3Å; I400-F404 HydrophobicContact CG1-CD2 3.87Å; I400-F404 HydrophobicContact CG1-CE2 4.5Å; I400-F404 PolarHBondContact O-N 2.91Å; F404-L407 HydrophobicContact CB-CD1 3.63Å; F404-L407 HydrophobicContact CB-CD2 4.2Å; F404-L407 HydrophobicContact CB-CG 3.7Å; F404-L407 HydrophobicContact CG-CD1 4.43Å; F404-L407 WeakPolarHBondContact O-CG 3.37Å; F404-L425 HydrophobicContact CB-CD1 4.38Å; F404-L425 HydrophobicContact CD1-CD1 3.94Å; F404-L425 HydrophobicContact CD2-CD1 3.89Å; F404-L425 HydrophobicContact CE1-CD1 4.18Å; F404-L425 HydrophobicContact CE2-CD1 4.12Å; F404-L425 HydrophobicContact CG-CD1 3.79Å; F404-L425 HydrophobicContact CZ-CD1 4.27Å
405	M	89.1	Confident	90	Very high	134 Å²	134	72 Å²	72	66%	0.66	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69	151.6	175.8	-57.4	-160.6	81	0	0	111	L407	M405-L407 VanDerWaalsContact C-N 3.32Å; M405-L407 PolarHBondContact O-N 3.06Å
406	G	85.3	Confident	89.3	Confident	73 Å²	73	72.9 Å²	72.9	75%	0.753	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.1	-1.9	176.3	0	0	0	0	0	116.6	R408	G406-R408 PolarHBondContact O-N 3.01Å
407	L	92.2	Very high	88.5	Confident	9 Å²	9	78.1 Å²	78.1	5%	0.047	42%	0.418	C	S	.	.			trans	-59.2	102.9	-178.4	-72.1	-169.3	0	0	0	113.7	I400 R401 F404 M405 Y422 L425	I400-L407 HydrophobicContact CD1-CD1 4.22Å; I400-L407 HydrophobicContact CG1-CD1 4.09Å; R401-L407 PolarHBondContact NH1-O 2.94Å; F404-L407 HydrophobicContact CB-CD1 3.63Å; F404-L407 HydrophobicContact CB-CD2 4.2Å; F404-L407 HydrophobicContact CB-CG 3.7Å; F404-L407 HydrophobicContact CG-CD1 4.43Å; F404-L407 WeakPolarHBondContact O-CG 3.37Å; M405-L407 VanDerWaalsContact C-N 3.32Å; M405-L407 PolarHBondContact O-N 3.06Å; L407-Y422 HydrophobicContact CD1-CD1 4.35Å; L407-Y422 HydrophobicContact CD1-CG 4.43Å; L407-L425 HydrophobicContact CD1-CD1 4.36Å; L407-L425 HydrophobicContact CD1-CD2 4.18Å; L407-L425 HydrophobicContact CD2-CB 3.79Å; L407-L425 HydrophobicContact CD2-CD1 4.12Å; L407-L425 HydrophobicContact CD2-CG 4.44Å
408	R	90.9	Very high	88.3	Confident	94 Å²	94	78.9 Å²	78.9	36%	0.355	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	160.3	172.8	-63.3	-173.2	179.4	-141.4	-1.7	110.1	E301 G406 Y423	E301-R408 PolarHBondContact O-NH1 2.68Å; E301-R408 PolarHBondContact O-NH2 2.66Å; E301-R408 VanDerWaalsContact O-NH2 3.16Å; G406-R408 PolarHBondContact O-N 3.01Å; R408-Y423 HydrophobicContact CB-CD1 4.23Å; R408-Y423 PolarHBondContact N-O 3.35Å; R408-Y423 PolarHBondContact O-N 3.45Å
409	T	91.3	Very high	88.3	Confident	54 Å²	54	78 Å²	78	33%	0.331	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	121.6	171.4	-70.4	0	0	0	0	108.3	R372 R401 Y420	R372-T409 PolarHBondContact NH2-OG1 3.47Å; R401-T409 PolarHBondContact NH2-OG1 3.07Å; T409-Y420 HydrophobicContact CG2-CD1 4.04Å
410	R	93.1	Very high	88.4	Confident	74 Å²	74	83 Å²	83	28%	0.279	44%	0.436	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	151.1	170.2	-76.3	-176.8	163.8	169.2	-5	108.7	E301 E302 L412 H421	E301-R410 IonicContact OE2-NH2 2.72Å; E301-R410 PolarHBondContact OE2-NH2 2.68Å; E301-R410 VanDerWaalsContact OE2-NH2 3.17Å; E302-R410 IonicContact OE2-CZ 2.66Å; E302-R410 IonicContact OE2-NE 3.11Å; E302-R410 IonicContact OE2-NH2 3.17Å; E302-R410 PolarHBondContact OE2-NH2 2.68Å; R410-L412 HydrophobicContact CB-CD1 3.81Å; R410-H421 PolarHBondContact O-N 3.26Å
411	R	91.7	Very high	88.4	Confident	153 Å²	153	84.4 Å²	84.4	58%	0.577	44%	0.442	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-108.1	112.1	176.9	-168.5	-173.9	179.1	-171.9	-2.8	107.3	S418 K419 Y420	R411-S418 PolarHBondContact NE-O 2.77Å; R411-S418 PolarHBondContact NH2-O 2.76Å; R411-K419 CarbonylContact C-O 3.57Å; R411-K419 VanDerWaalsContact CA-O 3.28Å; R411-K419 WeakPolarHBondContact CA-O 3.45Å; R411-Y420 HydrophobicContact CB-CD1 4.4Å; R411-Y420 HydrophobicContact CB-CE1 4.46Å; R411-Y420 HydrophobicContact CG-CD1 4.4Å; R411-Y420 HydrophobicContact CG-CE1 4.36Å
412	L	88.2	Confident	88.6	Confident	72 Å²	72	80.2 Å²	80.2	38%	0.377	43%	0.427	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	145.4	-170.4	-68.9	106.7	0	0	0	111.9	R410 S418 K419 H421	R410-L412 HydrophobicContact CB-CD1 3.81Å; L412-S418 CarbonylContact O-C 3.56Å; L412-S418 VanDerWaalsContact O-CA 3.24Å; L412-S418 WeakPolarHBondContact O-CA 3.24Å; L412-K419 PolarHBondContact N-O 2.86Å; L412-K419 PolarHBondContact O-N 3.37Å; L412-H421 HydrophobicContact CD1-CB 3.7Å
413	G	87.7	Confident	88.8	Confident	55 Å²	55	80.3 Å²	80.3	57%	0.567	42%	0.418	S	S	*	.	S	Bend	trans	114.7	160.1	-176.6	0	0	0	0	0	112.9	S418	G413-S418 VanDerWaalsContact O-CB 3.3Å; G413-S418 WeakPolarHBondContact O-CB 3.23Å; G413-S418 PolarHBondContact O-OG 2.95Å
414	T	79.4	Confident	88.7	Confident	103 Å²	103	79.6 Å²	79.6	63%	0.632	42%	0.416	S	S	*	.	S	Bend	trans	-62.7	159.5	-175.5	50.9	0	0	0	0	113.5	G416 N417 S418	T414-G416 PolarHBondContact O-N 2.89Å; T414-N417 CarbonylContact O-C 3.57Å; T414-N417 WeakPolarHBondContact O-CA 3.4Å; T414-N417 PolarHBondContact O-N 3.31Å; T414-N417 PolarHBondContact OG1-ND2 2.84Å; T414-S418 PolarHBondContact O-N 2.76Å; T414-S418 VanDerWaalsContact O-N 3.13Å; T414-S418 PolarHBondContact O-OG 3.12Å
415	R	74	Confident	88.7	Confident	251 Å²	251	79.1 Å²	79.1	95%	0.947	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.3	123.4	-178.8	-171.2	176.4	-179.3	178.8	-0.2	110.5
416	G	75	Confident	88.9	Confident	72 Å²	72	78.1 Å²	78.1	74%	0.742	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	90.5	-25.6	-174.4	0	0	0	0	0	115.3	T414	T414-G416 PolarHBondContact O-N 2.89Å
417	N	78.3	Confident	89.3	Confident	114 Å²	114	75.3 Å²	75.3	61%	0.61	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.7	-5.1	178.8	-68.3	-50.4	0	0	0	114.1	T414 K419	T414-N417 CarbonylContact O-C 3.57Å; T414-N417 WeakPolarHBondContact O-CA 3.4Å; T414-N417 PolarHBondContact O-N 3.31Å; T414-N417 PolarHBondContact OG1-ND2 2.84Å; N417-K419 PolarHBondContact O-N 2.74Å
418	S	88	Confident	89.4	Confident	27 Å²	27	78 Å²	78	19%	0.189	38%	0.382	C	S	.	.			trans	-65	115.2	-169.9	-31.4	0	0	0	0	113.5	R411 L412 G413 T414	R411-S418 PolarHBondContact NE-O 2.77Å; R411-S418 PolarHBondContact NH2-O 2.76Å; L412-S418 CarbonylContact O-C 3.56Å; L412-S418 VanDerWaalsContact O-CA 3.24Å; L412-S418 WeakPolarHBondContact O-CA 3.24Å; G413-S418 VanDerWaalsContact O-CB 3.3Å; G413-S418 WeakPolarHBondContact O-CB 3.23Å; G413-S418 PolarHBondContact O-OG 2.95Å; T414-S418 PolarHBondContact O-N 2.76Å; T414-S418 VanDerWaalsContact O-N 3.13Å; T414-S418 PolarHBondContact O-OG 3.12Å
419	K	91.3	Very high	89	Confident	138 Å²	138	77.9 Å²	77.9	60%	0.6	40%	0.401	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98.5	159.2	-178.2	-66	178.6	-175.7	176.3	0	112	R411 L412 N417	R411-K419 CarbonylContact C-O 3.57Å; R411-K419 VanDerWaalsContact CA-O 3.28Å; R411-K419 WeakPolarHBondContact CA-O 3.45Å; L412-K419 PolarHBondContact N-O 2.86Å; L412-K419 PolarHBondContact O-N 3.37Å; N417-K419 PolarHBondContact O-N 2.74Å
420	Y	95.3	Very high	88.7	Confident	127 Å²	127	79.3 Å²	79.3	50%	0.498	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	130.9	177.4	-67.8	-79.4	0	0	0	112.4	R372 T409 R411	R372-Y420 WeakPolarHBondContact CB-O 3.33Å; R372-Y420 WeakPolarHBondContact CG-O 3.37Å; R372-Y420 PolarHBondContact N-O 3.39Å; T409-Y420 HydrophobicContact CG2-CD1 4.04Å; R411-Y420 HydrophobicContact CB-CD1 4.4Å; R411-Y420 HydrophobicContact CB-CE1 4.46Å; R411-Y420 HydrophobicContact CG-CD1 4.4Å; R411-Y420 HydrophobicContact CG-CE1 4.36Å
421	H	95	Very high	88.5	Confident	29 Å²	29	76.4 Å²	76.4	13%	0.134	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	155.3	176.4	-71.1	-141.2	0	0	0	110.7	S369 L370 R410 L412	S369-H421 PolarHBondContact OG-ND1 3.04Å; L370-H421 CarbonylContact O-C 3.57Å; L370-H421 VanDerWaalsContact O-CA 3.28Å; L370-H421 WeakPolarHBondContact O-CA 3.43Å; L370-H421 WeakPolarHBondContact O-CB 3.25Å; R410-H421 PolarHBondContact O-N 3.26Å; L412-H421 HydrophobicContact CD1-CB 3.7Å
422	Y	96.1	Very high	88.1	Confident	9 Å²	9	73.4 Å²	73.4	4%	0.035	42%	0.42	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	121.8	156.2	-66.6	-61	0	0	0	107.7	S369 L370 R372 I400 L407	S369-Y422 CarbonylContact C-O 3.6Å; S369-Y422 VanDerWaalsContact CA-O 3.24Å; S369-Y422 WeakPolarHBondContact CA-O 3.24Å; L370-Y422 PolarHBondContact N-O 3.06Å; L370-Y422 PolarHBondContact O-N 3.4Å; R372-Y422 HydrophobicContact CB-CE2 4.27Å; R372-Y422 HydrophobicContact CG-CD1 4.48Å; R372-Y422 HydrophobicContact CG-CD2 3.87Å; R372-Y422 HydrophobicContact CG-CE1 4.28Å; R372-Y422 HydrophobicContact CG-CE2 3.67Å; R372-Y422 HydrophobicContact CG-CG 4.27Å; I400-Y422 HydrophobicContact CD1-CD2 4.01Å; I400-Y422 HydrophobicContact CD1-CE2 3.87Å; I400-Y422 HydrophobicContact CG2-CE1 4.16Å; I400-Y422 HydrophobicContact CG2-CE2 4.17Å; L407-Y422 HydrophobicContact CD1-CD1 4.35Å; L407-Y422 HydrophobicContact CD1-CG 4.43Å
423	Y	94.4	Very high	87.9	Confident	62 Å²	62	70.6 Å²	70.6	24%	0.243	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	138.2	174.3	179.9	-90.7	0	0	0	108.5	G367 R408	G367-Y423 WeakPolarHBondContact CA-OH 3.32Å; G367-Y423 PolarHBondContact N-OH 2.98Å; R408-Y423 HydrophobicContact CB-CD1 4.23Å; R408-Y423 PolarHBondContact N-O 3.35Å; R408-Y423 PolarHBondContact O-N 3.45Å
424	G	92.3	Very high	87.6	Confident	11 Å²	11	70.5 Å²	70.5	11%	0.113	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	94.3	13.9	-170.5	0	0	0	0	0	114.4	T364 A365 V368	T364-G424 CarbonylContact C-O 3.54Å; T364-G424 VanDerWaalsContact CA-O 3.25Å; T364-G424 WeakPolarHBondContact CA-O 3.4Å; T364-G424 WeakPolarHBondContact CG2-O 3.45Å; A365-G424 PolarHBondContact N-O 3.4Å; A365-G424 CarbonylContact O-C 3.13Å; A365-G424 WeakPolarHBondContact O-CA 3.4Å; V368-G424 PolarHBondContact O-N 3.46Å
425	L	94.8	Very high	87.4	Confident	0 Å²	0	74.5 Å²	74.5	0%	0	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	138.2	-174.6	-165	73.9	0	0	0	112	L370 L375 I400 F404 L407	L370-L425 HydrophobicContact CD2-CD2 4.33Å; L375-L425 HydrophobicContact CD1-CD2 3.48Å; L375-L425 VanDerWaalsContact CD1-CD2 3.48Å; I400-L425 HydrophobicContact CD1-CD2 3.88Å; F404-L425 HydrophobicContact CB-CD1 4.38Å; F404-L425 HydrophobicContact CD1-CD1 3.94Å; F404-L425 HydrophobicContact CD2-CD1 3.89Å; F404-L425 HydrophobicContact CE1-CD1 4.18Å; F404-L425 HydrophobicContact CE2-CD1 4.12Å; F404-L425 HydrophobicContact CG-CD1 3.79Å; F404-L425 HydrophobicContact CZ-CD1 4.27Å; L407-L425 HydrophobicContact CD1-CD1 4.36Å; L407-L425 HydrophobicContact CD1-CD2 4.18Å; L407-L425 HydrophobicContact CD2-CB 3.79Å; L407-L425 HydrophobicContact CD2-CD1 4.12Å; L407-L425 HydrophobicContact CD2-CG 4.44Å
426	R	92.9	Very high	87.3	Confident	113 Å²	113	66.4 Å²	66.4	43%	0.426	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	165.6	169.4	65.3	-176	-177	-138.3	-3.9	112.5	Y362 E363 A365 V368	Y362-R426 VanDerWaalsContact CA-O 3.32Å; Y362-R426 WeakPolarHBondContact CA-O 3.26Å; E363-R426 HydrophobicContact CG-CG 3.78Å; E363-R426 PolarHBondContact N-O 2.91Å; E363-R426 PolarHBondContact O-N 3.07Å; E363-R426 IonicContact OE1-CZ 3.2Å; E363-R426 IonicContact OE1-NE 2.81Å; E363-R426 PolarHBondContact OE1-NE 3.48Å; E363-R426 IonicContact OE1-NH2 2.69Å; E363-R426 PolarHBondContact OE1-NH2 2.99Å; A365-R426 HydrophobicContact CB-CB 4.5Å; A365-R426 HydrophobicContact CB-CG 3.71Å; V368-R426 HydrophobicContact CG2-CB 4.02Å; V368-R426 HydrophobicContact CG2-CG 4.46Å
427	I	94.1	Very high	87	Confident	14 Å²	14	65 Å²	65	7%	0.072	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72	138.9	164.6	-62.1	171.7	0	0	0	108.2	N361 Y362 L370 L433 L434 M437	N361-I427 WeakPolarHBondContact O-CA 3.41Å; Y362-I427 HydrophobicContact CD1-CG1 3.98Å; Y362-I427 HydrophobicContact CE1-CG1 3.59Å; L370-I427 HydrophobicContact CD1-CD1 4.43Å; L370-I427 HydrophobicContact CD1-CG1 4.36Å; I427-L433 HydrophobicContact CD1-CB 4.4Å; I427-L433 HydrophobicContact CG2-CB 4.26Å; I427-L434 HydrophobicContact CB-CD1 4.4Å; I427-L434 HydrophobicContact CG2-CB 4.1Å; I427-L434 HydrophobicContact CG2-CD1 4.29Å; I427-M437 HydrophobicContact CD1-CB 4Å; I427-M437 HydrophobicContact CD1-CG 4.41Å; I427-M437 HydrophobicContact CD1-SD 3.8Å
428	K	93.7	Very high	86.2	Confident	67 Å²	67	63.9 Å²	63.9	29%	0.291	34%	0.336	S	S	.	.			trans	-67.9	139.7	175	-80.9	175.4	162.4	-174.1	0	111.2	L359 D360 N361 Y362 E363 G430 S431	L359-K428 WeakPolarHBondContact O-CE 3.26Å; L359-K428 PolarHBondContact O-NZ 3.08Å; D360-K428 WeakPolarHBondContact O-CD 3.36Å; N361-K428 PolarHBondContact O-N 3.41Å; Y362-K428 WeakPolarHBondContact O-CE 3.36Å; E363-K428 HydrophobicContact CB-CD 4.44Å; E363-K428 HydrophobicContact CB-CG 3.9Å; E363-K428 HydrophobicContact CG-CG 3.72Å; K428-G430 PolarHBondContact O-N 2.98Å; K428-G430 VanDerWaalsContact O-N 3.07Å; K428-S431 VanDerWaalsContact O-CB 3.26Å; K428-S431 WeakPolarHBondContact O-CB 3.39Å; K428-S431 PolarHBondContact O-N 2.93Å
429	A	83.6	Confident	84.9	Confident	91 Å²	91	67 Å²	67	75%	0.752	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.8	-23.4	-177.1	0	0	0	0	0	114.7
430	G	83.3	Confident	83.2	Confident	84 Å²	84	64.6 Å²	64.6	87%	0.866	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.9	3.5	174.5	0	0	0	0	0	115.4	K428	K428-G430 PolarHBondContact O-N 2.98Å; K428-G430 VanDerWaalsContact O-N 3.07Å
431	S	89.3	Confident	81.2	Confident	12 Å²	12	63.5 Å²	63.5	8%	0.084	34%	0.34	C	S	.	.			trans	-82.4	137	-178	175	0	0	0	0	112.1	N361 K428 L433 L434	N361-S431 PolarHBondContact OD1-OG 3.27Å; K428-S431 VanDerWaalsContact O-CB 3.26Å; K428-S431 WeakPolarHBondContact O-CB 3.39Å; K428-S431 PolarHBondContact O-N 2.93Å; S431-L433 PolarHBondContact O-N 3.4Å; S431-L433 WeakPolarHBondContact OG-CB 3.39Å; S431-L433 WeakPolarHBondContact OG-CG 3.36Å; S431-L433 PolarHBondContact OG-N 2.99Å; S431-L434 WeakPolarHBondContact O-CB 3.49Å; S431-L434 PolarHBondContact O-N 3Å; S431-L434 VanDerWaalsContact O-N 3.15Å
432	S	83.1	Confident	79	Confident	91 Å²	91	68.2 Å²	68.2	64%	0.636	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.9	-23.1	169.4	52.7	0	0	0	0	113.3	L434 R435	S432-L434 PolarHBondContact O-N 3.13Å; S432-R435 PolarHBondContact O-N 2.78Å
433	L	85.4	Confident	76.8	Confident	13 Å²	13	74.1 Å²	74.1	7%	0.068	39%	0.394	C	S	.	.	H	α-helix	trans	-68.3	-17.6	177.4	-54.6	-175.7	0	0	0	113.1	W357 N361 Y362 H378 I427 S431 L436 M437	W357-L433 HydrophobicContact CZ2-CD1 3.73Å; N361-L433 HydrophobicContact CB-CD1 3.69Å; N361-L433 HydrophobicContact CB-CG 4.41Å; Y362-L433 HydrophobicContact CE2-CD1 3.99Å; Y362-L433 WeakPolarHBondContact OH-CD1 3.42Å; H378-L433 HydrophobicContact CB-CD1 4.11Å; I427-L433 HydrophobicContact CD1-CB 4.4Å; I427-L433 HydrophobicContact CG2-CB 4.26Å; S431-L433 PolarHBondContact O-N 3.4Å; S431-L433 WeakPolarHBondContact OG-CB 3.39Å; S431-L433 WeakPolarHBondContact OG-CG 3.36Å; S431-L433 PolarHBondContact OG-N 2.99Å; L433-L436 HydrophobicContact CD2-CD1 3.94Å; L433-L436 PolarHBondContact O-N 3.31Å; L433-M437 PolarHBondContact O-N 3.27Å; L433-M437 VanDerWaalsContact O-N 3.09Å
434	L	80.3	Confident	74.5	Confident	53 Å²	53	73.8 Å²	73.8	28%	0.277	40%	0.404	S	S	.	.	H	α-helix	trans	-64	-43.3	177	-169.5	67.2	0	0	0	110.7	I427 S431 S432 L436 M437 E438	I427-L434 HydrophobicContact CB-CD1 4.4Å; I427-L434 HydrophobicContact CG2-CB 4.1Å; I427-L434 HydrophobicContact CG2-CD1 4.29Å; S431-L434 WeakPolarHBondContact O-CB 3.49Å; S431-L434 PolarHBondContact O-N 3Å; S431-L434 VanDerWaalsContact O-N 3.15Å; S432-L434 PolarHBondContact O-N 3.13Å; L434-L436 PolarHBondContact O-N 3.09Å; L434-M437 HydrophobicContact CD1-CE 4.15Å; L434-M437 WeakPolarHBondContact O-CB 3.47Å; L434-M437 PolarHBondContact O-N 3Å; L434-M437 VanDerWaalsContact O-N 3.09Å; L434-E438 PolarHBondContact O-N 3.28Å
435	R	75.2	Confident	72	Confident	186 Å²	186	80.5 Å²	80.5	70%	0.702	43%	0.434	S	S	*	.	H	α-helix	trans	-64	-39.1	177.2	-167.9	177.1	-170	142.5	5.5	112.6	S432 M437 E438 D439	S432-R435 PolarHBondContact O-N 2.78Å; R435-M437 VanDerWaalsContact C-N 3.27Å; R435-M437 PolarHBondContact O-N 3.39Å; R435-E438 PolarHBondContact O-N 3.21Å; R435-D439 PolarHBondContact O-N 3.49Å
436	L	71.8	Confident	69.3	Low	81 Å²	81	91.5 Å²	91.5	42%	0.424	48%	0.476	S	S	.	.	H	α-helix	trans	-64.6	-31.6	173.7	-74.5	166.9	0	0	0	112.3	L433 L434 Q440	L433-L436 HydrophobicContact CD2-CD1 3.94Å; L433-L436 PolarHBondContact O-N 3.31Å; L434-L436 PolarHBondContact O-N 3.09Å; L436-Q440 VanDerWaalsContact O-CB 3.32Å; L436-Q440 WeakPolarHBondContact O-CB 3.23Å; L436-Q440 PolarHBondContact O-N 2.94Å
437	M	68.3	Low	66.6	Low	42 Å²	42	93 Å²	93	21%	0.207	49%	0.488	C	S	.	.	H	α-helix	trans	-72.4	-41.3	172.7	-167.5	-178.2	74.6	0	0	111.6	L370 I427 L433 L434 R435 Q440 Q441	L370-M437 HydrophobicContact CD1-SD 4.13Å; I427-M437 HydrophobicContact CD1-CB 4Å; I427-M437 HydrophobicContact CD1-CG 4.41Å; I427-M437 HydrophobicContact CD1-SD 3.8Å; L433-M437 PolarHBondContact O-N 3.27Å; L433-M437 VanDerWaalsContact O-N 3.09Å; L434-M437 HydrophobicContact CD1-CE 4.15Å; L434-M437 WeakPolarHBondContact O-CB 3.47Å; L434-M437 PolarHBondContact O-N 3Å; L434-M437 VanDerWaalsContact O-N 3.09Å; R435-M437 VanDerWaalsContact C-N 3.27Å; R435-M437 PolarHBondContact O-N 3.39Å; M437-Q440 PolarHBondContact O-N 3.44Å; M437-Q441 WeakPolarHBondContact O-CB 3.48Å; M437-Q441 WeakPolarHBondContact O-CG 3.45Å; M437-Q441 PolarHBondContact O-N 2.94Å
438	E	62.8	Low	63.4	Low	92 Å²	92	100 Å²	100	43%	0.43	52%	0.52	S	S	.	.	H	α-helix	trans	-61.6	-49.8	176.4	-70.7	175.9	149.8	0	0	111.9	L434 R435 Q440 Q441 H442	L434-E438 PolarHBondContact O-N 3.28Å; R435-E438 PolarHBondContact O-N 3.21Å; E438-Q440 VanDerWaalsContact C-N 3.29Å; E438-Q440 PolarHBondContact O-N 3.45Å; E438-Q441 CarbonylContact O-C 3.54Å; E438-Q441 PolarHBondContact O-N 3.39Å; E438-H442 WeakPolarHBondContact O-CB 3.34Å; E438-H442 PolarHBondContact O-CD2 3.08Å; E438-H442 VanDerWaalsContact O-CG 3.29Å; E438-H442 PolarHBondContact O-N 3.35Å
439	D	59.6	Low	60.4	Low	92 Å²	92	102.5 Å²	102.5	49%	0.492	54%	0.543	S	S	.	.	H	α-helix	trans	-59.3	-39.6	176.7	-76.3	-37.8	0	0	0	111.8	R435 H442 L443	R435-D439 PolarHBondContact O-N 3.49Å; D439-H442 PolarHBondContact O-N 3Å; D439-L443 WeakPolarHBondContact O-CG 3.27Å; D439-L443 PolarHBondContact O-N 3.15Å; D439-L443 VanDerWaalsContact O-N 3.1Å
440	Q	56.7	Low	57.7	Low	88 Å²	88	108.1 Å²	108.1	41%	0.411	55%	0.551	S	S	.	*	H	α-helix	trans	-67.4	-35.5	174.9	-172.6	172	114.4	0	0	112.6	T374 L436 M437 E438 A444	T374-Q440 PolarHBondContact OG1-OE1 3.34Å; L436-Q440 VanDerWaalsContact O-CB 3.32Å; L436-Q440 WeakPolarHBondContact O-CB 3.23Å; L436-Q440 PolarHBondContact O-N 2.94Å; M437-Q440 PolarHBondContact O-N 3.44Å; E438-Q440 VanDerWaalsContact C-N 3.29Å; E438-Q440 PolarHBondContact O-N 3.45Å; Q440-A444 PolarHBondContact O-N 3.17Å
441	Q	53.6	Low	55.4	Low	103 Å²	103	109.7 Å²	109.7	48%	0.481	55%	0.549	S	S	.	.	H	α-helix	trans	-75.2	-32	174.8	-75.8	-176.9	-51	0	0	112.5	M437 E438 A444 M445	M437-Q441 WeakPolarHBondContact O-CB 3.48Å; M437-Q441 WeakPolarHBondContact O-CG 3.45Å; M437-Q441 PolarHBondContact O-N 2.94Å; E438-Q441 CarbonylContact O-C 3.54Å; E438-Q441 PolarHBondContact O-N 3.39Å; Q441-A444 CarbonylContact O-C 3.55Å; Q441-A444 PolarHBondContact O-N 3.31Å; Q441-A444 VanDerWaalsContact O-N 3.15Å; Q441-M445 WeakPolarHBondContact O-CB 3.42Å; Q441-M445 WeakPolarHBondContact O-CG 3.48Å; Q441-M445 PolarHBondContact O-N 2.98Å
442	H	47.4	Very low	52.6	Low	129 Å²	129	118.5 Å²	118.5	60%	0.597	59%	0.588	S	S	*	*	H	α-helix	trans	-69.3	-37	175.8	-71.6	-168	0	0	0	111.4	E438 D439 A444 R446	E438-H442 WeakPolarHBondContact O-CB 3.34Å; E438-H442 PolarHBondContact O-CD2 3.08Å; E438-H442 VanDerWaalsContact O-CG 3.29Å; E438-H442 PolarHBondContact O-N 3.35Å; D439-H442 PolarHBondContact O-N 3Å; H442-A444 VanDerWaalsContact C-N 3.27Å; H442-A444 PolarHBondContact O-N 3.34Å; H442-R446 PolarHBondContact O-N 2.95Å
443	L	50.4	Low	50.1	Low	132 Å²	132	122.6 Å²	122.6	69%	0.691	60%	0.595	S	S	*	*	H	α-helix	trans	-65.2	-26.2	169	-74.2	165.7	0	0	0	113.5	D439 Q447	D439-L443 WeakPolarHBondContact O-CG 3.27Å; D439-L443 PolarHBondContact O-N 3.15Å; D439-L443 VanDerWaalsContact O-N 3.1Å; L443-Q447 PolarHBondContact O-NE2 2.98Å; L443-Q447 VanDerWaalsContact O-NE2 3.17Å
444	A	46.4	Very low	47.6	Very low	56 Å²	56	130 Å²	130	46%	0.463	63%	0.629	S	S	.	*	H	α-helix	trans	-84.3	-41.3	175.3	0	0	0	0	0	112.8	Q440 Q441 H442 R446 Q447	Q440-A444 PolarHBondContact O-N 3.17Å; Q441-A444 CarbonylContact O-C 3.55Å; Q441-A444 PolarHBondContact O-N 3.31Å; Q441-A444 VanDerWaalsContact O-N 3.15Å; H442-A444 VanDerWaalsContact C-N 3.27Å; H442-A444 PolarHBondContact O-N 3.34Å; A444-R446 PolarHBondContact O-N 2.75Å; A444-Q447 WeakPolarHBondContact O-CB 3.47Å; A444-Q447 PolarHBondContact O-N 3.16Å
445	M	39.7	Very low	45	Very low	152 Å²	152	138.4 Å²	138.4	75%	0.749	66%	0.657	S	S	*	*	H	α-helix	trans	-63.1	-27.2	178.4	-80.4	-72.4	-74.9	0	0	112.8	Q441 Q447	Q441-M445 WeakPolarHBondContact O-CB 3.42Å; Q441-M445 WeakPolarHBondContact O-CG 3.48Å; Q441-M445 PolarHBondContact O-N 2.98Å; M445-Q447 PolarHBondContact O-N 3.45Å; M445-Q447 VanDerWaalsContact O-N 3.16Å
446	R	37.6	Very low	42.8	Very low	231 Å²	231	137 Å²	137	87%	0.872	66%	0.663	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.9	0.3	173.1	-152.2	-166.4	142.7	155.5	-3.4	114	H442 A444	H442-R446 PolarHBondContact O-N 2.95Å; A444-R446 PolarHBondContact O-N 2.75Å
447	Q	36.2	Very low	40.6	Very low	144 Å²	144	142 Å²	142	67%	0.673	68%	0.681	S	S	*	*	T	Hydrogen-bonded Turn	trans	-106.3	29.3	179.9	-61.9	-179.3	56.7	0	0	113.5	L443 A444 M445	L443-Q447 PolarHBondContact O-NE2 2.98Å; L443-Q447 VanDerWaalsContact O-NE2 3.17Å; A444-Q447 WeakPolarHBondContact O-CB 3.47Å; A444-Q447 PolarHBondContact O-N 3.16Å; M445-Q447 PolarHBondContact O-N 3.45Å; M445-Q447 VanDerWaalsContact O-N 3.16Å
448	Q	27.9	Very low	38.7	Very low	162 Å²	162	145.3 Å²	145.3	76%	0.757	71%	0.705	S	S	*	*	S	Bend	trans	-128	121.7	162.3	-72.2	-62.6	-68.1	0	0	109.7	F450	Q448-F450 PolarHBondContact O-N 3.46Å
449	P	30.6	Very low	37	Very low	118 Å²	118	147.9 Å²	147.9	77%	0.766	73%	0.727	S	S	*	*			trans	-82.5	112.5	-179.1	31.5	-32	0	0	0	110.8
450	F	25.3	Very low	35.5	Very low	210 Å²	210	152 Å²	152	92%	0.921	74%	0.743	S	S	*	*			trans	-122.7	131.5	161.9	-124.4	-88.4	0	0	0	109.9	Q448	Q448-F450 PolarHBondContact O-N 3.46Å
451	S	36.3	Very low	34.2	Very low	117 Å²	117	155 Å²	155	82%	0.818	76%	0.755	S	S	*	*			trans	-87.5	124.9	-163.7	-59.6	0	0	0	0	112.8
452	Q	29.1	Very low	33	Very low	197 Å²	197	156.9 Å²	156.9	92%	0.921	77%	0.773	S	S	*	*			trans	-145.5	153.8	158	-126	177.5	17.2	0	0	112.4
453	K	31.9	Very low	31.9	Very low	176 Å²	176	157.4 Å²	157.4	77%	0.765	78%	0.776	S	S	*	*			trans	-87.1	145.4	-157.4	-64	-176.7	176.6	-176.1	0	114.3
454	Q	32.8	Very low	30.7	Very low	170 Å²	170	154.6 Å²	154.6	79%	0.794	78%	0.779	S	S	*	*			trans	27.7	125.4	149.6	-65.4	-177.8	-11.6	0	0	119.9
455	R	24.8	Very low	29.9	Very low	229 Å²	229	160 Å²	160	86%	0.864	80%	0.796	S	S	*	*				-155.7	109.4	119.2	-159.8	170.2	-170.9	173	5.5	112.7
456	L	30.6	Very low	29.3	Very low	156 Å²	156	159.4 Å²	159.4	82%	0.817	80%	0.801	S	S	*	*			trans	-75.5	157.5	165	-80.1	84.8	0	0	0	111.1
457	K	24.6	Very low	28.9	Very low	185 Å²	185	156.4 Å²	156.4	80%	0.804	80%	0.803	S	S	*	*			trans	-126.8	152.2	148.6	-83.7	-169.2	173.4	-175.2	0	109.1
458	P	27.6	Very low	28.3	Very low	112 Å²	112	152.7 Å²	152.7	73%	0.727	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-96.7	141.9	-154.7	-1.9	22.9	0	0	0	113.7
459	V	27.6	Very low	28.3	Very low	147 Å²	147	151.7 Å²	151.7	89%	0.891	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-87.8	144	157.9	179.1	0	0	0	0	108.2
460	H	28.1	Very low	28.1	Very low	179 Å²	179	150.7 Å²	150.7	83%	0.829	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-80.3	152.1	-171.9	-86.3	53.8	0	0	0	114.1
461	K	28.9	Very low	28.2	Very low	150 Å²	150	146 Å²	146	65%	0.652	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-80.6	138.8	178.9	-174.1	-161.4	-165.6	-147.6	0	111.6	E463	K461-E463 VanDerWaalsContact CE-OE1 3.24Å; K461-E463 WeakPolarHBondContact CE-OE1 3.23Å; K461-E463 WeakPolarHBondContact CE-OE2 3.41Å; K461-E463 IonicContact NZ-OE1 2.74Å; K461-E463 PolarHBondContact NZ-OE1 3.17Å; K461-E463 IonicContact NZ-OE2 2.71Å; K461-E463 PolarHBondContact NZ-OE2 2.78Å
462	V	28.3	Very low	27.6	Very low	143 Å²	143	144.1 Å²	144.1	87%	0.867	81%	0.809	S	S	*	*			trans	-140.2	139.1	153.5	-178.7	0	0	0	0	108
463	E	25.5	Very low	27.6	Very low	140 Å²	140	140.1 Å²	140.1	65%	0.654	81%	0.81	S	S	*	*			trans	-105.5	155.7	179	-71.5	145.5	126.9	0	0	111.6	K461	K461-E463 VanDerWaalsContact CE-OE1 3.24Å; K461-E463 WeakPolarHBondContact CE-OE1 3.23Å; K461-E463 WeakPolarHBondContact CE-OE2 3.41Å; K461-E463 IonicContact NZ-OE1 2.74Å; K461-E463 PolarHBondContact NZ-OE1 3.17Å; K461-E463 IonicContact NZ-OE2 2.71Å; K461-E463 PolarHBondContact NZ-OE2 2.78Å
464	G	25.2	Very low	27.3	Very low	73 Å²	73	135.6 Å²	135.6	75%	0.753	81%	0.813	S	S	*	*			trans	177.5	142.4	172	0	0	0	0	0	112.4
465	M	29.5	Very low	27.2	Very low	168 Å²	168	136.7 Å²	136.7	83%	0.828	82%	0.818	S	S	*	*			trans	-117.3	178.1	-172.3	-60.7	88.3	155.2	0	0	113.3
466	T	27.1	Very low	27.4	Very low	140 Å²	140	134.8 Å²	134.8	86%	0.859	82%	0.819	S	S	*	*			trans	103.6	154.1	153.7	73.6	0	0	0	0	119.2
467	N	28.4	Very low	27.3	Very low	168 Å²	168	135.7 Å²	135.7	90%	0.898	82%	0.819	S	S	*	*			trans	-98.3	157	-176	-60.4	-26.4	0	0	0	111.3
468	G	24.7	Very low	27.5	Very low	66 Å²	66	135.7 Å²	135.7	68%	0.68	82%	0.822	S	S	*	*			trans	155.8	101.8	155.9	0	0	0	0	0	118.6
469	T	26.8	Very low	27.6	Very low	141 Å²	141	138.9 Å²	138.9	87%	0.865	83%	0.827	S	S	*	*			trans	32	127	139.7	53.5	0	0	0	0	123.1
470	A	26.5	Very low	27.7	Very low	98 Å²	98	141.4 Å²	141.4	81%	0.81	83%	0.829	S	S	*	*			trans	83.6	113.9	133.2	0	0	0	0	0	122.5
471	A	27.5	Very low	27.7	Very low	110 Å²	110	141.8 Å²	141.8	91%	0.909	83%	0.831	S	S	*	*			trans	52.3	129.7	136.1	0	0	0	0	0	122.4
472	G	24.8	Very low	27.7	Very low	78 Å²	78	138.6 Å²	138.6	80%	0.804	84%	0.841	S	S	*	*			trans	154.6	75.2	155.8	0	0	0	0	0	118.4
473	A	28	Very low	27.8	Very low	113 Å²	113	137.3 Å²	137.3	93%	0.934	84%	0.839	S	S	*	*			trans	28.5	113.5	156.3	0	0	0	0	0	121
474	G	25.9	Very low	28.2	Very low	81 Å²	81	134.9 Å²	134.9	84%	0.835	85%	0.851	S	S	*	*			trans	-156.7	109.7	161.9	0	0	0	0	0	111.5
475	Q	30	Very low	28.6	Very low	194 Å²	194	138.4 Å²	138.4	91%	0.907	85%	0.848	S	S	*	*			trans	-84.5	129.4	-175.3	-67.6	177.2	-8.2	0	0	112.6
476	Q	29	Very low	29	Very low	188 Å²	188	135.4 Å²	135.4	88%	0.879	84%	0.839	S	S	*	*			trans	-159.2	121.6	130.5	-116.2	162.8	66.3	0	0	111.8
477	Q	29.5	Very low	29.6	Very low	175 Å²	175	133.4 Å²	133.4	82%	0.818	82%	0.823	S	S	*	*			trans	-85.4	140.1	168.8	-67.9	172.4	-27.1	0	0	109.3
478	Q	29.2	Very low	30.8	Very low	186 Å²	186	130.8 Å²	130.8	87%	0.869	81%	0.807	S	S	*	*			trans	-125.3	125.5	147.2	-75.9	-168.1	-3.1	0	0	108.6
479	Q	29.6	Very low	32.4	Very low	179 Å²	179	131.5 Å²	131.5	84%	0.836	80%	0.802	S	S	*	*			trans	-76.1	137.4	178.8	-69.3	172.6	-25.1	0	0	109.6
480	Q	28.5	Very low	34.1	Very low	199 Å²	199	128.2 Å²	128.2	93%	0.93	78%	0.782	S	S	*	*			trans	-103.2	107.6	179.3	-153.5	171.5	50.5	0	0	109.8
481	Q	29	Very low	36	Very low	187 Å²	187	127.5 Å²	127.5	87%	0.874	76%	0.761	S	S	*	*			trans	-142.1	137.2	164	-66.5	-175.1	6	0	0	107.1
482	G	29.2	Very low	38.2	Very low	83 Å²	83	123.9 Å²	123.9	86%	0.856	73%	0.728	S	S	*	*			cis	177.1	99.6	-7.1	0	0	0	0	0	109.7
483	S	29.6	Very low	40.6	Very low	117 Å²	117	126.3 Å²	126.3	82%	0.818	72%	0.719	S	S	*	*			trans	-115.1	132.7	173.3	49	0	0	0	0	109.1	H485	S483-H485 VanDerWaalsContact C-N 3.31Å; S483-H485 PolarHBondContact O-N 3.22Å
484	G	33.3	Very low	43.2	Very low	88 Å²	88	126.5 Å²	126.5	91%	0.907	70%	0.7	S	S	*	*			trans	-73.8	66.6	-159.8	0	0	0	0	0	116.5
485	H	34.4	Very low	46	Very low	148 Å²	148	124.1 Å²	124.1	69%	0.685	67%	0.666	S	S	*	*			trans	-86.2	105.3	152.3	-162.1	-89.2	0	0	0	107.4	S483 D487	S483-H485 VanDerWaalsContact C-N 3.31Å; S483-H485 PolarHBondContact O-N 3.22Å; H485-D487 PolarHBondContact O-N 2.85Å
486	V	38.2	Very low	48.6	Very low	105 Å²	105	117.9 Å²	117.9	64%	0.636	64%	0.637	S	S	*	*			trans	-70.1	115.7	171.7	179.4	0	0	0	0	106.8	I488	V486-I488 PolarHBondContact O-N 3.37Å
487	D	40.4	Very low	51.4	Low	98 Å²	98	114.6 Å²	114.6	52%	0.524	62%	0.622	S	S	.	*			trans	-61.8	122.1	-178.6	-98.3	-33.8	0	0	0	110.3	H485 S489 T490 Q491	H485-D487 PolarHBondContact O-N 2.85Å; D487-S489 PolarHBondContact O-N 2.95Å; D487-S489 VanDerWaalsContact O-N 3.13Å; D487-T490 HydrophobicContact CB-CG2 3.95Å; D487-T490 PolarHBondContact O-N 3.13Å; D487-T490 PolarHBondContact O-OG1 2.88Å; D487-Q491 PolarHBondContact O-N 3.42Å
488	I	53.2	Low	54.2	Low	113 Å²	113	108 Å²	108	58%	0.579	59%	0.59	S	S	*	*	H	α-helix	trans	-54.7	-36.5	-179.5	-63	172	0	0	0	110	V486 T490 Q491 V492	V486-I488 PolarHBondContact O-N 3.37Å; I488-T490 VanDerWaalsContact C-N 3.33Å; I488-T490 PolarHBondContact O-N 2.91Å; I488-Q491 PolarHBondContact O-N 2.97Å; I488-Q491 VanDerWaalsContact O-N 3.09Å; I488-V492 HydrophobicContact CG2-CG2 4.35Å; I488-V492 WeakPolarHBondContact O-CG2 3.5Å; I488-V492 PolarHBondContact O-N 3.09Å
489	S	58	Low	57.1	Low	80 Å²	80	99.9 Å²	99.9	56%	0.559	55%	0.553	S	S	*	*	H	α-helix	trans	-53.9	-42.4	172.7	-43.5	0	0	0	0	113.5	D487 Q491 Q493	D487-S489 PolarHBondContact O-N 2.95Å; D487-S489 VanDerWaalsContact O-N 3.13Å; S489-Q491 VanDerWaalsContact C-N 3.35Å; S489-Q493 WeakPolarHBondContact O-CG 3.31Å; S489-Q493 PolarHBondContact O-N 3.33Å; S489-Q493 VanDerWaalsContact O-N 3.08Å
490	T	62.5	Low	59.7	Low	72 Å²	72	93.1 Å²	93.1	44%	0.442	52%	0.522	S	S	.	.	H	α-helix	trans	-71.5	-31.6	178.1	67.1	0	0	0	0	112	D487 I488 Q494	D487-T490 HydrophobicContact CB-CG2 3.95Å; D487-T490 PolarHBondContact O-N 3.13Å; D487-T490 PolarHBondContact O-OG1 2.88Å; I488-T490 VanDerWaalsContact C-N 3.33Å; I488-T490 PolarHBondContact O-N 2.91Å; T490-Q494 PolarHBondContact O-N 3.3Å; T490-Q494 VanDerWaalsContact O-N 3.14Å
491	Q	66.3	Low	62.3	Low	83 Å²	83	86.2 Å²	86.2	39%	0.388	50%	0.5	S	S	.	.	H	α-helix	trans	-74.3	-36.7	176.2	-163.7	176.1	44.7	0	0	111.9	D487 I488 S489 Q494 Y495	D487-Q491 PolarHBondContact O-N 3.42Å; I488-Q491 PolarHBondContact O-N 2.97Å; I488-Q491 VanDerWaalsContact O-N 3.09Å; S489-Q491 VanDerWaalsContact C-N 3.35Å; Q491-Q494 PolarHBondContact O-N 3.14Å; Q491-Y495 HydrophobicContact CG-CD2 4.33Å; Q491-Y495 HydrophobicContact CG-CE2 3.62Å; Q491-Y495 PolarHBondContact NE2-OH 2.7Å; Q491-Y495 WeakPolarHBondContact O-CD2 3.06Å; Q491-Y495 PolarHBondContact O-N 2.88Å; Q491-Y495 VanDerWaalsContact O-N 3.09Å
492	V	73.4	Confident	65	Low	35 Å²	35	82.3 Å²	82.3	21%	0.212	49%	0.493	C	S	.	.	H	α-helix	trans	-62.2	-46.2	171.6	169.7	0	0	0	0	110.8	I488 Q494 Y495 Q496 L548	I488-V492 HydrophobicContact CG2-CG2 4.35Å; I488-V492 WeakPolarHBondContact O-CG2 3.5Å; I488-V492 PolarHBondContact O-N 3.09Å; V492-Q494 VanDerWaalsContact C-N 3.28Å; V492-Q494 PolarHBondContact O-N 3.08Å; V492-Y495 WeakPolarHBondContact O-CA 3.35Å; V492-Y495 PolarHBondContact O-N 3.3Å; V492-Q496 WeakPolarHBondContact O-CG 3.49Å; V492-Q496 PolarHBondContact O-N 2.85Å; V492-L548 HydrophobicContact CG1-CD1 4.49Å
493	Q	75.5	Confident	67.6	Low	129 Å²	129	83 Å²	83	60%	0.603	47%	0.469	S	S	*	.	H	α-helix	trans	-57.3	-39.9	174.3	-74.7	173	-13.1	0	0	112.4	S489 Y495 Q496	S489-Q493 WeakPolarHBondContact O-CG 3.31Å; S489-Q493 PolarHBondContact O-N 3.33Å; S489-Q493 VanDerWaalsContact O-N 3.08Å; Q493-Y495 VanDerWaalsContact C-N 3.29Å; Q493-Y495 PolarHBondContact O-N 3.09Å; Q493-Q496 PolarHBondContact O-N 3.36Å
494	Q	82.1	Confident	70.3	Confident	117 Å²	117	82.2 Å²	82.2	55%	0.547	46%	0.464	S	S	.	.	H	α-helix	trans	-67.4	-27.7	174.7	-166.5	-178.1	14.2	0	0	113.1	T490 Q491 V492 Q497	T490-Q494 PolarHBondContact O-N 3.3Å; T490-Q494 VanDerWaalsContact O-N 3.14Å; Q491-Q494 PolarHBondContact O-N 3.14Å; V492-Q494 VanDerWaalsContact C-N 3.28Å; V492-Q494 PolarHBondContact O-N 3.08Å; Q494-Q497 WeakPolarHBondContact O-CG 3.48Å
495	Y	86.2	Confident	73	Confident	31 Å²	31	78.4 Å²	78.4	12%	0.122	42%	0.423	C	S	.	.	H	α-helix	trans	-82.9	-26.6	177.2	-67.3	-28.3	0	0	0	113.9	Q491 V492 Q493 Q497 F498 L548 P625 A627 L628	Q491-Y495 HydrophobicContact CG-CD2 4.33Å; Q491-Y495 HydrophobicContact CG-CE2 3.62Å; Q491-Y495 PolarHBondContact NE2-OH 2.7Å; Q491-Y495 WeakPolarHBondContact O-CD2 3.06Å; Q491-Y495 PolarHBondContact O-N 2.88Å; Q491-Y495 VanDerWaalsContact O-N 3.09Å; V492-Y495 WeakPolarHBondContact O-CA 3.35Å; V492-Y495 PolarHBondContact O-N 3.3Å; Q493-Y495 VanDerWaalsContact C-N 3.29Å; Q493-Y495 PolarHBondContact O-N 3.09Å; Y495-Q497 PolarHBondContact O-N 3.13Å; Y495-Q497 VanDerWaalsContact O-N 3.16Å; Y495-F498 PolarHBondContact O-N 2.99Å; Y495-L548 HydrophobicContact CD2-CD1 4.28Å; Y495-L548 HydrophobicContact CG-CD1 4.43Å; Y495-P625 HydrophobicContact CD1-CB 4.29Å; Y495-P625 HydrophobicContact CD1-CG 4.05Å; Y495-P625 HydrophobicContact CE1-CB 3.78Å; Y495-P625 HydrophobicContact CE1-CG 3.96Å; Y495-A627 WeakPolarHBondContact OH-CB 3.49Å; Y495-L628 HydrophobicContact CD1-CB 4.25Å; Y495-L628 HydrophobicContact CD1-CD2 4.49Å; Y495-L628 HydrophobicContact CD2-CB 4.42Å; Y495-L628 HydrophobicContact CD2-CD1 4.46Å; Y495-L628 HydrophobicContact CE1-CB 4.48Å; Y495-L628 HydrophobicContact CG-CB 4.26Å; Y495-L628 HydrophobicContact CG-CD1 4.45Å; Y495-L628 HydrophobicContact CG-CD2 4.33Å
496	Q	84.3	Confident	75.6	Confident	63 Å²	63	74 Å²	74	29%	0.294	41%	0.407	S	S	.	.	H	α-helix	trans	-58.1	-28.6	177.7	-76.9	172.4	-31.2	0	0	113.5	V492 Q493 F498 L499	V492-Q496 WeakPolarHBondContact O-CG 3.49Å; V492-Q496 PolarHBondContact O-N 2.85Å; Q493-Q496 PolarHBondContact O-N 3.36Å; Q496-F498 PolarHBondContact O-N 3.24Å; Q496-F498 VanDerWaalsContact O-N 3.13Å; Q496-L499 HydrophobicContact CG-CD1 4.3Å; Q496-L499 PolarHBondContact O-N 2.79Å; Q496-L499 VanDerWaalsContact O-N 3.09Å
497	Q	87.3	Confident	78	Confident	119 Å²	119	77 Å²	77	56%	0.556	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.5	-13.2	175.3	81.1	-175.8	6.1	0	0	114.7	Q494 Y495 R622	Q494-Q497 WeakPolarHBondContact O-CG 3.48Å; Y495-Q497 PolarHBondContact O-N 3.13Å; Y495-Q497 VanDerWaalsContact O-N 3.16Å; Q497-R622 PolarHBondContact O-NH2 3.19Å
498	F	87.5	Confident	80.5	Confident	36 Å²	36	73.2 Å²	73.2	16%	0.158	39%	0.393	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.3	-9.6	176.6	-61.3	-87.6	0	0	0	112.8	Y495 Q496 P618 P623 P625 L628	Y495-F498 PolarHBondContact O-N 2.99Å; Q496-F498 PolarHBondContact O-N 3.24Å; Q496-F498 VanDerWaalsContact O-N 3.13Å; F498-P618 WeakPolarHBondContact O-CG 3.26Å; F498-P623 WeakPolarHBondContact CD1-O 3.14Å; F498-P623 VanDerWaalsContact CE1-O 3.31Å; F498-P623 WeakPolarHBondContact CE1-O 3.46Å; F498-P625 HydrophobicContact CD2-CG 3.98Å; F498-P625 HydrophobicContact CE1-CG 4.18Å; F498-P625 HydrophobicContact CE2-CG 3.53Å; F498-P625 HydrophobicContact CG-CG 4.47Å; F498-P625 HydrophobicContact CZ-CG 3.64Å; F498-L628 HydrophobicContact CB-CD2 4.18Å
499	L	89.7	Confident	82.2	Confident	15 Å²	15	71.9 Å²	71.9	8%	0.079	39%	0.392	C	S	.	.	S	Bend	trans	-93.6	152.7	179.4	-51.5	179.2	0	0	0	110.6	Q496 A501 V546 L548 I615 L616 L628	Q496-L499 HydrophobicContact CG-CD1 4.3Å; Q496-L499 PolarHBondContact O-N 2.79Å; Q496-L499 VanDerWaalsContact O-N 3.09Å; L499-A501 VanDerWaalsContact C-N 3.31Å; L499-A501 PolarHBondContact O-N 2.79Å; L499-V546 WeakPolarHBondContact CD1-O 3.48Å; L499-L548 HydrophobicContact CD1-CD1 4.31Å; L499-L548 HydrophobicContact CD1-CD2 3.92Å; L499-L548 HydrophobicContact CD1-CG 4.02Å; L499-L548 HydrophobicContact CD2-CD2 4.29Å; L499-I615 VanDerWaalsContact CA-O 3.23Å; L499-I615 WeakPolarHBondContact CA-O 3.4Å; L499-I615 HydrophobicContact CB-CG2 4.5Å; L499-I615 WeakPolarHBondContact CB-O 3.5Å; L499-L616 HydrophobicContact CD2-CD2 4.12Å; L499-L628 HydrophobicContact CD2-CD2 4.47Å
500	D	86.2	Confident	83.7	Confident	37 Å²	37	74.3 Å²	74.3	20%	0.198	40%	0.399	C	S	.	.			trans	-92.1	65.8	165.5	-169.3	-1.6	0	0	0	110.7	S502 R503 I615 P618	D500-S502 PolarHBondContact O-N 3.01Å; D500-S502 PolarHBondContact OD1-N 2.71Å; D500-S502 PolarHBondContact OD1-OG 3.27Å; D500-R503 HydrophobicContact CB-CG 4.5Å; D500-R503 PolarHBondContact O-N 3.38Å; D500-R503 IonicContact OD2-CZ 3.08Å; D500-R503 IonicContact OD2-NE 3.55Å; D500-R503 PolarHBondContact OD2-NE 3.13Å; D500-R503 IonicContact OD2-NH2 3.57Å; D500-R503 PolarHBondContact OD2-NH2 3.35Å; D500-R503 VanDerWaalsContact OD2-NH2 3.07Å; D500-I615 PolarHBondContact N-O 2.94Å; D500-I615 VanDerWaalsContact N-O 3.08Å; D500-P618 HydrophobicContact CB-CB 3.98Å; D500-P618 HydrophobicContact CB-CG 4.36Å
501	A	82.8	Confident	85	Confident	55 Å²	55	71.6 Å²	71.6	46%	0.455	38%	0.381	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.2	6.7	179.3	0	0	0	0	0	114.3	L499 V546	L499-A501 VanDerWaalsContact C-N 3.31Å; L499-A501 PolarHBondContact O-N 2.79Å; A501-V546 HydrophobicContact CB-CG1 3.73Å
502	S	84.5	Confident	85.9	Confident	104 Å²	104	72.3 Å²	72.3	73%	0.727	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.5	-15.5	175.9	78.6	0	0	0	0	113.6	D500 S504	D500-S502 PolarHBondContact O-N 3.01Å; D500-S502 PolarHBondContact OD1-N 2.71Å; D500-S502 PolarHBondContact OD1-OG 3.27Å; S502-S504 PolarHBondContact O-N 3Å
503	R	83.7	Confident	86.5	Confident	98 Å²	98	72.7 Å²	72.7	37%	0.37	39%	0.388	S	S	.	.	P	Polyproline II helix	trans	-75	121.3	-178.9	-63.8	-173.1	-172.2	-121.6	-15.6	112.1	D500 E614 I615	D500-R503 HydrophobicContact CB-CG 4.5Å; D500-R503 PolarHBondContact O-N 3.38Å; D500-R503 IonicContact OD2-CZ 3.08Å; D500-R503 IonicContact OD2-NE 3.55Å; D500-R503 PolarHBondContact OD2-NE 3.13Å; D500-R503 IonicContact OD2-NH2 3.57Å; D500-R503 PolarHBondContact OD2-NH2 3.35Å; D500-R503 VanDerWaalsContact OD2-NH2 3.07Å; R503-E614 IonicContact CZ-OE2 3.61Å; R503-E614 IonicContact NH1-OE2 2.76Å; R503-E614 PolarHBondContact NH1-OE2 3.19Å; R503-I615 HydrophobicContact CB-CD1 4.08Å; R503-I615 HydrophobicContact CB-CG1 3.91Å; R503-I615 HydrophobicContact CG-CG1 4.41Å
504	S	87.6	Confident	86.5	Confident	100 Å²	100	71.6 Å²	71.6	70%	0.699	38%	0.383	S	S	*	.	P	Polyproline II helix	trans	-79.1	160.4	160.7	58.5	0	0	0	0	111	S502	S502-S504 PolarHBondContact O-N 3Å
505	L	89.4	Confident	86.1	Confident	9 Å²	9	70 Å²	70	5%	0.047	40%	0.398	C	S	.	.	P	Polyproline II helix	trans	-58.2	139.4	164.8	-161.8	69.2	0	0	0	109.6	F508 C538 E539 L542 L608	L505-F508 HydrophobicContact CD1-CE1 4.25Å; L505-F508 HydrophobicContact CD1-CZ 4.21Å; L505-F508 HydrophobicContact CD2-CE1 4.01Å; L505-F508 HydrophobicContact CD2-CE2 4.05Å; L505-F508 HydrophobicContact CD2-CZ 3.63Å; L505-F508 HydrophobicContact CG-CE1 4.04Å; L505-F508 HydrophobicContact CG-CZ 4.11Å; L505-C538 HydrophobicContact CD2-CB 3.72Å; L505-E539 HydrophobicContact CB-CG 4.5Å; L505-E539 HydrophobicContact CD2-CG 3.83Å; L505-L542 HydrophobicContact CB-CD2 4.15Å; L505-L608 HydrophobicContact CD1-CB 4.24Å; L505-L608 HydrophobicContact CD1-CD1 3.73Å
506	P	88.6	Confident	85.9	Confident	55 Å²	55	73 Å²	73	36%	0.357	41%	0.411	S	S	.	.	P	Polyproline II helix	trans	-64	161	168.8	28.6	-35.4	0	0	0	110.8	F508 S611	P506-F508 PolarHBondContact O-N 3.38Å; P506-S611 WeakPolarHBondContact CD-OG 3.32Å
507	E	89.5	Confident	86	Confident	167 Å²	167	74.8 Å²	74.8	78%	0.78	43%	0.431	S	S	*	.	P	Polyproline II helix	trans	-69.9	124.9	172	-173.7	153	-128.4	0	0	110.1
508	F	92.1	Very high	86	Confident	20 Å²	20	72.1 Å²	72.1	9%	0.088	42%	0.42	C	S	.	.	P	Polyproline II helix	trans	-75.2	139.9	173.7	-65.6	-19.3	0	0	0	109.7	L505 P506 Y534 R535 C538 W600 C604	L505-F508 HydrophobicContact CD1-CE1 4.25Å; L505-F508 HydrophobicContact CD1-CZ 4.21Å; L505-F508 HydrophobicContact CD2-CE1 4.01Å; L505-F508 HydrophobicContact CD2-CE2 4.05Å; L505-F508 HydrophobicContact CD2-CZ 3.63Å; L505-F508 HydrophobicContact CG-CE1 4.04Å; L505-F508 HydrophobicContact CG-CZ 4.11Å; P506-F508 PolarHBondContact O-N 3.38Å; F508-Y534 HydrophobicContact CE2-CD1 4.22Å; F508-Y534 HydrophobicContact CE2-CE1 4.47Å; F508-R535 HydrophobicContact CD2-CB 4.42Å; F508-C538 HydrophobicContact CE2-CB 4Å; F508-C538 HydrophobicContact CZ-CB 3.93Å; F508-W600 HydrophobicContact CB-CZ2 4.23Å; F508-W600 HydrophobicContact CD2-CH2 4.37Å; F508-W600 HydrophobicContact CD2-CZ2 4.24Å; F508-C604 HydrophobicContact CD1-CB 4.21Å; F508-C604 HydrophobicContact CD2-CB 3.97Å; F508-C604 VanDerWaalsContact CD2-SG 3.56Å; F508-C604 HydrophobicContact CE1-CB 4Å; F508-C604 HydrophobicContact CE2-CB 3.76Å; F508-C604 HydrophobicContact CG-CB 4.19Å; F508-C604 WeakPolarHBondContact CG-SG 3.5Å; F508-C604 HydrophobicContact CZ-CB 3.75Å
509	P	88.4	Confident	86.1	Confident	84 Å²	84	71.7 Å²	71.7	55%	0.545	42%	0.421	S	S	.	.	P	Polyproline II helix	trans	-64.9	167.7	174.2	30.3	-36	0	0	0	111	W600	P509-W600 PolarHBondContact O-NE1 2.72Å
510	D	89.5	Confident	85.9	Confident	132 Å²	132	80.1 Å²	80.1	71%	0.706	46%	0.46	S	S	*	.	P	Polyproline II helix	trans	-73.3	160.2	166.9	-89.8	-50.2	0	0	0	112	D512 Q531	D510-D512 PolarHBondContact O-N 3.38Å; D510-D512 VanDerWaalsContact O-N 3.15Å; D510-Q531 PolarHBondContact OD1-NE2 3.33Å
511	I	90.3	Very high	85.8	Confident	15 Å²	15	81.1 Å²	81.1	8%	0.077	48%	0.48	C	S	.	.			trans	-74.9	101.8	173.8	-67.3	170.7	0	0	0	108.8	L513 I527 F530 Q531 P596 V597 W600	I511-L513 HydrophobicContact CG2-CD2 4.13Å; I511-L513 PolarHBondContact O-N 3.5Å; I511-I527 HydrophobicContact CB-CG2 4.22Å; I511-I527 HydrophobicContact CD1-CG2 3.67Å; I511-I527 HydrophobicContact CG1-CG2 4.47Å; I511-I527 HydrophobicContact CG2-CG2 4.47Å; I511-F530 HydrophobicContact CD1-CD1 4.34Å; I511-Q531 HydrophobicContact CD1-CG 3.44Å; I511-Q531 VanDerWaalsContact CD1-CG 3.44Å; I511-Q531 HydrophobicContact CG1-CG 3.89Å; I511-P596 HydrophobicContact CG2-CB 3.7Å; I511-V597 HydrophobicContact CD1-CG2 4.03Å; I511-W600 HydrophobicContact CD1-CD2 3.96Å; I511-W600 HydrophobicContact CD1-CE3 4.15Å; I511-W600 HydrophobicContact CD1-CG 4.15Å; I511-W600 HydrophobicContact CG1-CB 3.85Å; I511-W600 VanDerWaalsContact CG1-CD1 3.49Å; I511-W600 HydrophobicContact CG1-CD2 3.61Å; I511-W600 HydrophobicContact CG1-CE3 4.31Å; I511-W600 HydrophobicContact CG1-CG 3.37Å
512	D	86.1	Confident	86.3	Confident	98 Å²	98	79 Å²	79	52%	0.524	46%	0.46	S	S	.	.			trans	-69.1	116.1	169.9	-171.2	-2.4	0	0	0	110.1	D510 H514 P596	D510-D512 PolarHBondContact O-N 3.38Å; D510-D512 VanDerWaalsContact O-N 3.15Å; D512-H514 VanDerWaalsContact C-N 3.27Å; D512-H514 IonicContact OD1-CG 3.33Å; D512-H514 PolarHBondContact OD1-N 2.93Å; D512-H514 IonicContact OD1-ND1 2.87Å; D512-H514 IonicContact OD2-CE1 2.76Å; D512-H514 PolarHBondContact OD2-CE1 3.08Å; D512-H514 IonicContact OD2-CG 2.7Å; D512-H514 IonicContact OD2-ND1 3.35Å; D512-H514 PolarHBondContact OD2-ND1 2.89Å; D512-P596 WeakPolarHBondContact O-CB 3.46Å
513	L	85.4	Confident	86.6	Confident	43 Å²	43	80.1 Å²	80.1	23%	0.225	45%	0.454	C	S	.	.			trans	-76.2	-16	177.8	-57.5	176.4	0	0	0	112.2	I511 G515 K516 L518 L524 I527 Y594	I511-L513 HydrophobicContact CG2-CD2 4.13Å; I511-L513 PolarHBondContact O-N 3.5Å; L513-G515 PolarHBondContact O-N 3.47Å; L513-G515 VanDerWaalsContact O-N 3.17Å; L513-K516 VanDerWaalsContact O-CB 3.24Å; L513-K516 WeakPolarHBondContact O-CB 3.46Å; L513-K516 WeakPolarHBondContact O-CG 3.3Å; L513-K516 PolarHBondContact O-N 3.01Å; L513-L518 HydrophobicContact CD1-CD2 4.34Å; L513-L518 HydrophobicContact CD2-CD2 4.37Å; L513-L524 HydrophobicContact CD1-CD1 4.33Å; L513-I527 HydrophobicContact CD2-CD1 3.9Å; L513-Y594 HydrophobicContact CD2-CE1 3.8Å
514	H	76.4	Confident	86.9	Confident	105 Å²	105	79.7 Å²	79.7	49%	0.486	46%	0.459	S	S	.	.	T	Hydrogen-bonded Turn	trans	47.8	38.1	-173.3	-52.8	-61.6	0	0	0	113.1	D512 K516 R599	D512-H514 VanDerWaalsContact C-N 3.27Å; D512-H514 IonicContact OD1-CG 3.33Å; D512-H514 PolarHBondContact OD1-N 2.93Å; D512-H514 IonicContact OD1-ND1 2.87Å; D512-H514 IonicContact OD2-CE1 2.76Å; D512-H514 PolarHBondContact OD2-CE1 3.08Å; D512-H514 IonicContact OD2-CG 2.7Å; D512-H514 IonicContact OD2-ND1 3.35Å; D512-H514 PolarHBondContact OD2-ND1 2.89Å; H514-K516 PolarHBondContact O-N 3.34Å; H514-R599 PolarHBondContact CD2-NH1 3.32Å; H514-R599 VanDerWaalsContact CD2-NH1 3.33Å; H514-R599 PolarHBondContact NE2-NH1 3.06Å
515	G	73.8	Confident	87.1	Confident	83 Å²	83	79.3 Å²	79.3	86%	0.856	45%	0.449	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.3	1.6	-176.3	0	0	0	0	0	116	L513	L513-G515 PolarHBondContact O-N 3.47Å; L513-G515 VanDerWaalsContact O-N 3.17Å
516	K	81.6	Confident	87.4	Confident	94 Å²	94	80.8 Å²	80.8	41%	0.409	46%	0.455	S	S	.	.	P	Polyproline II helix	trans	-67.1	141.4	176.7	-62.8	-176.8	177.1	-173.1	0	111.1	L513 H514 Y594 P596	L513-K516 VanDerWaalsContact O-CB 3.24Å; L513-K516 WeakPolarHBondContact O-CB 3.46Å; L513-K516 WeakPolarHBondContact O-CG 3.3Å; L513-K516 PolarHBondContact O-N 3.01Å; H514-K516 PolarHBondContact O-N 3.34Å; K516-Y594 PolarHBondContact O-OH 2.78Å; K516-P596 HydrophobicContact CD-CG 4.35Å
517	S	86.1	Confident	87.6	Confident	102 Å²	102	78.5 Å²	78.5	71%	0.713	44%	0.44	S	S	*	.	P	Polyproline II helix	trans	-68	150.5	174	48.4	0	0	0	0	111.9	Y594	S517-Y594 WeakPolarHBondContact O-CE2 3.45Å; S517-Y594 PolarHBondContact O-OH 3Å; S517-Y594 VanDerWaalsContact O-OH 3.1Å
518	L	88.1	Confident	87.8	Confident	62 Å²	62	75.6 Å²	75.6	33%	0.325	43%	0.425	S	S	.	.	P	Polyproline II helix	trans	-69.9	144.9	173.7	-59.7	-179.2	0	0	0	110.7	L513 I522 I527	L513-L518 HydrophobicContact CD1-CD2 4.34Å; L513-L518 HydrophobicContact CD2-CD2 4.37Å; L518-I522 WeakPolarHBondContact CD1-O 3.39Å; L518-I527 HydrophobicContact CD2-CD1 3.49Å; L518-I527 VanDerWaalsContact CD2-CD1 3.49Å
519	P	88.6	Confident	88	Confident	28 Å²	28	76 Å²	76	18%	0.182	43%	0.431	C	S	.	.	P	Polyproline II helix	trans	-59.6	150.9	170.2	-22	32.7	0	0	0	112.3	G521 I522 L590 Y594	P519-G521 PolarHBondContact O-N 3.15Å; P519-I522 HydrophobicContact CB-CB 4.38Å; P519-I522 HydrophobicContact CB-CG1 3.91Å; P519-I522 HydrophobicContact CG-CG1 4.17Å; P519-I522 WeakPolarHBondContact O-CB 3.43Å; P519-I522 PolarHBondContact O-N 3.11Å; P519-L590 HydrophobicContact CB-CD1 4.07Å; P519-L590 HydrophobicContact CB-CD2 4.01Å; P519-L590 HydrophobicContact CB-CG 3.91Å; P519-Y594 HydrophobicContact CG-CD2 3.58Å; P519-Y594 HydrophobicContact CG-CE2 4.12Å; P519-Y594 HydrophobicContact CG-CG 3.92Å
520	E	85.7	Confident	88.3	Confident	191 Å²	191	72 Å²	72	89%	0.893	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.2	124.1	178.9	-170.7	177.4	-173.7	0	0	111.4	L590	E520-L590 VanDerWaalsContact O-CD2 3.25Å; E520-L590 WeakPolarHBondContact O-CD2 3.44Å
521	G	84.3	Confident	88.6	Confident	59 Å²	59	67.1 Å²	67.1	61%	0.608	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.2	3.2	-174.4	0	0	0	0	0	115.6	P519	P519-G521 PolarHBondContact O-N 3.15Å
522	I	92.6	Very high	88.8	Confident	10 Å²	10	70.8 Å²	70.8	5%	0.051	40%	0.397	C	S	.	.			trans	-98.2	122.4	169.2	-62.5	-56.2	0	0	0	110.3	L518 P519 H526 I527 C587 L590 L591	L518-I522 WeakPolarHBondContact CD1-O 3.39Å; P519-I522 HydrophobicContact CB-CB 4.38Å; P519-I522 HydrophobicContact CB-CG1 3.91Å; P519-I522 HydrophobicContact CG-CG1 4.17Å; P519-I522 WeakPolarHBondContact O-CB 3.43Å; P519-I522 PolarHBondContact O-N 3.11Å; I522-H526 HydrophobicContact CG2-CB 4.42Å; I522-I527 HydrophobicContact CG2-CD1 4.4Å; I522-I527 HydrophobicContact CG2-CG1 4.1Å; I522-C587 HydrophobicContact CD1-CB 3.94Å; I522-L590 HydrophobicContact CD1-CB 4.26Å; I522-L590 HydrophobicContact CD1-CD2 4.05Å; I522-L590 HydrophobicContact CD1-CG 4.24Å; I522-L590 HydrophobicContact CG1-CD2 3.79Å; I522-L590 HydrophobicContact CG1-CG 4Å; I522-L591 HydrophobicContact CD1-CD2 4.13Å; I522-L591 HydrophobicContact CD1-CG 3.92Å; I522-L591 HydrophobicContact CG1-CD2 4.25Å; I522-L591 HydrophobicContact CG2-CD2 3.75Å
523	E	91.9	Very high	89.3	Confident	127 Å²	127	66.8 Å²	66.8	59%	0.593	38%	0.375	S	S	*	.			trans	-99.5	160.3	170.6	-61.3	-175.3	179.4	0	0	110.6	D525 H526	E523-D525 PolarHBondContact O-N 3.4Å; E523-H526 PolarHBondContact N-ND1 3.28Å; E523-H526 WeakPolarHBondContact O-CB 3.46Å; E523-H526 PolarHBondContact O-N 3.12Å
524	L	90.1	Very high	89.8	Confident	90 Å²	90	64.7 Å²	64.7	47%	0.471	36%	0.364	S	S	.	.	H	α-helix	trans	-59.1	-30.8	-179.6	-158.2	82.9	0	0	0	112.5	L513 I527 K528	L513-L524 HydrophobicContact CD1-CD1 4.33Å; L524-I527 WeakPolarHBondContact O-CB 3.46Å; L524-I527 PolarHBondContact O-N 3.08Å; L524-K528 PolarHBondContact O-N 2.82Å
525	D	91.9	Very high	90.7	Very high	92 Å²	92	63.1 Å²	63.1	49%	0.492	35%	0.354	S	S	.	.	H	α-helix	trans	-77.2	-20.2	178.7	-69.7	-14.1	0	0	0	113.1	E523 I527 K528 S529	E523-D525 PolarHBondContact O-N 3.4Å; D525-I527 VanDerWaalsContact C-N 3.33Å; D525-K528 WeakPolarHBondContact OD1-CD 3.35Å; D525-K528 WeakPolarHBondContact OD1-CE 3.08Å; D525-K528 IonicContact OD1-NZ 2.68Å; D525-K528 PolarHBondContact OD1-NZ 2.76Å; D525-S529 VanDerWaalsContact O-CB 3.25Å; D525-S529 WeakPolarHBondContact O-CB 3.44Å; D525-S529 PolarHBondContact O-N 2.95Å; D525-S529 PolarHBondContact O-OG 3.23Å
526	H	94.3	Very high	91.7	Very high	39 Å²	39	62.9 Å²	62.9	18%	0.181	33%	0.331	C	S	.	.	H	α-helix	trans	-67.4	-35.7	166.7	-64.7	160.4	0	0	0	111.2	I522 E523 F530 L583	I522-H526 HydrophobicContact CG2-CB 4.42Å; E523-H526 PolarHBondContact N-ND1 3.28Å; E523-H526 WeakPolarHBondContact O-CB 3.46Å; E523-H526 PolarHBondContact O-N 3.12Å; H526-F530 WeakPolarHBondContact O-CB 3.32Å; H526-F530 PolarHBondContact O-N 3.31Å; H526-L583 HydrophobicContact CB-CD1 3.99Å
527	I	93.8	Very high	92.4	Very high	7 Å²	7	59.2 Å²	59.2	4%	0.036	32%	0.315	C	S	.	.	H	α-helix	trans	-67.1	-49.7	175.4	-63.8	-171.7	0	0	0	110.5	I511 L513 L518 I522 L524 D525 S529 F530 Q531 L591 Y594	I511-I527 HydrophobicContact CB-CG2 4.22Å; I511-I527 HydrophobicContact CD1-CG2 3.67Å; I511-I527 HydrophobicContact CG1-CG2 4.47Å; I511-I527 HydrophobicContact CG2-CG2 4.47Å; L513-I527 HydrophobicContact CD2-CD1 3.9Å; L518-I527 HydrophobicContact CD2-CD1 3.49Å; L518-I527 VanDerWaalsContact CD2-CD1 3.49Å; I522-I527 HydrophobicContact CG2-CD1 4.4Å; I522-I527 HydrophobicContact CG2-CG1 4.1Å; L524-I527 WeakPolarHBondContact O-CB 3.46Å; L524-I527 PolarHBondContact O-N 3.08Å; D525-I527 VanDerWaalsContact C-N 3.33Å; I527-S529 VanDerWaalsContact C-N 3.31Å; I527-S529 PolarHBondContact O-N 3.01Å; I527-F530 WeakPolarHBondContact O-CB 3.49Å; I527-F530 PolarHBondContact O-N 3.36Å; I527-F530 VanDerWaalsContact O-N 3.11Å; I527-Q531 PolarHBondContact O-N 2.92Å; I527-L591 HydrophobicContact CG1-CD2 3.85Å; I527-Y594 HydrophobicContact CD1-CE1 4.45Å
528	K	93.6	Very high	93	Very high	106 Å²	106	54.4 Å²	54.4	46%	0.461	28%	0.281	S	S	.	.	H	α-helix	trans	-58.9	-42.4	175.7	-62.2	173.3	-163.1	157.6	0	112.2	L524 D525 F530 Q531 L532	L524-K528 PolarHBondContact O-N 2.82Å; D525-K528 WeakPolarHBondContact OD1-CD 3.35Å; D525-K528 WeakPolarHBondContact OD1-CE 3.08Å; D525-K528 IonicContact OD1-NZ 2.68Å; D525-K528 PolarHBondContact OD1-NZ 2.76Å; K528-F530 VanDerWaalsContact C-N 3.32Å; K528-F530 PolarHBondContact O-N 3.36Å; K528-Q531 PolarHBondContact O-N 2.74Å; K528-L532 WeakPolarHBondContact O-CB 3.05Å; K528-L532 PolarHBondContact O-N 2.98Å
529	S	94.9	Very high	93.3	Very high	30 Å²	30	55.1 Å²	55.1	21%	0.21	28%	0.283	C	S	.	.	H	α-helix	trans	-63.8	-37.6	176.6	-65.2	0	0	0	0	112	D525 I527 L533 R582	D525-S529 VanDerWaalsContact O-CB 3.25Å; D525-S529 WeakPolarHBondContact O-CB 3.44Å; D525-S529 PolarHBondContact O-N 2.95Å; D525-S529 PolarHBondContact O-OG 3.23Å; I527-S529 VanDerWaalsContact C-N 3.31Å; I527-S529 PolarHBondContact O-N 3.01Å; S529-L533 VanDerWaalsContact O-CB 3.26Å; S529-L533 WeakPolarHBondContact O-CB 3.3Å; S529-L533 WeakPolarHBondContact O-CD1 3.33Å; S529-L533 WeakPolarHBondContact O-CG 3.43Å; S529-L533 PolarHBondContact O-N 3.09Å; S529-R582 VanDerWaalsContact CB-O 3.25Å; S529-R582 WeakPolarHBondContact CB-O 3.43Å; S529-R582 PolarHBondContact OG-O 2.83Å
530	F	95.9	Very high	93.7	Very high	0 Å²	0	55.5 Å²	55.5	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-63.6	-51.7	171.8	177.6	-95.4	0	0	0	111.7	I511 H526 I527 K528 L532 L533 Y534 F560 L583 L588 L591 V597 W600	I511-F530 HydrophobicContact CD1-CD1 4.34Å; H526-F530 WeakPolarHBondContact O-CB 3.32Å; H526-F530 PolarHBondContact O-N 3.31Å; I527-F530 WeakPolarHBondContact O-CB 3.49Å; I527-F530 PolarHBondContact O-N 3.36Å; I527-F530 VanDerWaalsContact O-N 3.11Å; K528-F530 VanDerWaalsContact C-N 3.32Å; K528-F530 PolarHBondContact O-N 3.36Å; F530-L532 VanDerWaalsContact C-N 3.31Å; F530-L532 PolarHBondContact O-N 3.37Å; F530-L533 PolarHBondContact O-N 3.2Å; F530-Y534 AromaticContact CE1-CD2 3.9Å; F530-Y534 HydrophobicContact CE1-CD2 3.9Å; F530-Y534 HydrophobicContact CE1-CE2 4.45Å; F530-Y534 HydrophobicContact CE2-CD2 4.11Å; F530-Y534 AromaticContact CZ-CD2 3.51Å; F530-Y534 HydrophobicContact CZ-CD2 3.51Å; F530-Y534 AromaticContact CZ-CE2 3.95Å; F530-Y534 HydrophobicContact CZ-CE2 3.95Å; F530-Y534 WeakPolarHBondContact O-CB 3.49Å; F530-Y534 PolarHBondContact O-N 3.14Å; F530-F560 HydrophobicContact CE2-CZ 4.27Å; F530-L583 HydrophobicContact CB-CD2 3.93Å; F530-L583 HydrophobicContact CD2-CD2 4.02Å; F530-L583 HydrophobicContact CG-CD2 4.5Å; F530-L588 HydrophobicContact CD2-CD1 3.73Å; F530-L588 HydrophobicContact CE2-CD1 3.67Å; F530-L591 HydrophobicContact CB-CD1 3.86Å; F530-L591 HydrophobicContact CD2-CD1 4.44Å; F530-L591 HydrophobicContact CG-CD1 4.25Å; F530-V597 HydrophobicContact CD1-CG1 4.2Å; F530-V597 HydrophobicContact CE1-CG1 3.59Å; F530-V597 HydrophobicContact CZ-CG1 3.79Å; F530-W600 HydrophobicContact CD1-CE3 4.47Å; F530-W600 HydrophobicContact CD1-CZ3 4.11Å; F530-W600 AromaticContact CE1-CE3 3.85Å; F530-W600 HydrophobicContact CE1-CE3 3.85Å; F530-W600 AromaticContact CE1-CZ3 3.63Å; F530-W600 HydrophobicContact CE1-CZ3 3.63Å
531	Q	95.6	Very high	94.3	Very high	28 Å²	28	46.6 Å²	46.6	13%	0.131	25%	0.247	C	C	.	.	H	α-helix	trans	-54.4	-47.3	178.6	-69.1	171.5	-92.8	0	0	111.9	D510 I511 I527 K528 Y534 R535 W600	D510-Q531 PolarHBondContact OD1-NE2 3.33Å; I511-Q531 HydrophobicContact CD1-CG 3.44Å; I511-Q531 VanDerWaalsContact CD1-CG 3.44Å; I511-Q531 HydrophobicContact CG1-CG 3.89Å; I527-Q531 PolarHBondContact O-N 2.92Å; K528-Q531 PolarHBondContact O-N 2.74Å; Q531-Y534 PolarHBondContact O-N 3.47Å; Q531-R535 WeakPolarHBondContact O-CB 3.46Å; Q531-R535 PolarHBondContact O-N 2.87Å; Q531-W600 HydrophobicContact CB-CH2 4.1Å; Q531-W600 HydrophobicContact CB-CZ2 4.07Å; Q531-W600 HydrophobicContact CG-CH2 4.11Å; Q531-W600 HydrophobicContact CG-CZ2 3.86Å
532	L	94.7	Very high	94.8	Very high	92 Å²	92	44.7 Å²	44.7	48%	0.482	22%	0.223	S	C	.	.	H	α-helix	trans	-68.4	-46.4	-177.7	-177.1	59.3	0	0	0	112.2	K528 F530 Y534 R535 E536	K528-L532 WeakPolarHBondContact O-CB 3.05Å; K528-L532 PolarHBondContact O-N 2.98Å; F530-L532 VanDerWaalsContact C-N 3.31Å; F530-L532 PolarHBondContact O-N 3.37Å; L532-Y534 VanDerWaalsContact C-N 3.27Å; L532-Y534 PolarHBondContact O-N 2.91Å; L532-R535 PolarHBondContact O-N 3.38Å; L532-E536 WeakPolarHBondContact O-CB 3.35Å; L532-E536 VanDerWaalsContact O-CG 3.32Å; L532-E536 WeakPolarHBondContact O-CG 3.25Å; L532-E536 PolarHBondContact O-N 3.37Å
533	L	95.6	Very high	94.9	Very high	14 Å²	14	48.7 Å²	48.7	7%	0.073	24%	0.244	C	C	.	.	H	α-helix	trans	-62	-35.7	174.5	-74.8	169	0	0	0	112.1	S529 F530 H537 F560 R582 L583	S529-L533 VanDerWaalsContact O-CB 3.26Å; S529-L533 WeakPolarHBondContact O-CB 3.3Å; S529-L533 WeakPolarHBondContact O-CD1 3.33Å; S529-L533 WeakPolarHBondContact O-CG 3.43Å; S529-L533 PolarHBondContact O-N 3.09Å; F530-L533 PolarHBondContact O-N 3.2Å; L533-H537 VanDerWaalsContact O-CB 3.29Å; L533-H537 WeakPolarHBondContact O-CB 3.29Å; L533-H537 PolarHBondContact O-N 3.22Å; L533-F560 HydrophobicContact CB-CE2 4.11Å; L533-F560 WeakPolarHBondContact O-CE2 3.43Å; L533-R582 HydrophobicContact CD1-CB 4.2Å; L533-L583 HydrophobicContact CD1-CB 3.72Å; L533-L583 HydrophobicContact CD1-CD2 4.37Å
534	Y	96.8	Very high	95	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-70.9	-40.9	178.7	-165.7	-72.7	0	0	0	111	F508 F530 Q531 L532 H537 C538 F560 W600 S601 C604 D605 K658	F508-Y534 HydrophobicContact CE2-CD1 4.22Å; F508-Y534 HydrophobicContact CE2-CE1 4.47Å; F530-Y534 AromaticContact CE1-CD2 3.9Å; F530-Y534 HydrophobicContact CE1-CD2 3.9Å; F530-Y534 HydrophobicContact CE1-CE2 4.45Å; F530-Y534 HydrophobicContact CE2-CD2 4.11Å; F530-Y534 AromaticContact CZ-CD2 3.51Å; F530-Y534 HydrophobicContact CZ-CD2 3.51Å; F530-Y534 AromaticContact CZ-CE2 3.95Å; F530-Y534 HydrophobicContact CZ-CE2 3.95Å; F530-Y534 WeakPolarHBondContact O-CB 3.49Å; F530-Y534 PolarHBondContact O-N 3.14Å; Q531-Y534 PolarHBondContact O-N 3.47Å; L532-Y534 VanDerWaalsContact C-N 3.27Å; L532-Y534 PolarHBondContact O-N 2.91Å; Y534-H537 WeakPolarHBondContact O-CB 3.17Å; Y534-H537 PolarHBondContact O-N 2.76Å; Y534-C538 VanDerWaalsContact CE1-SG 3.57Å; Y534-C538 PolarHBondContact O-N 2.79Å; Y534-C538 PolarHBondContact O-SG 2.98Å; Y534-F560 HydrophobicContact CD2-CE1 4.1Å; Y534-F560 AromaticContact CD2-CZ 3.75Å; Y534-F560 HydrophobicContact CD2-CZ 3.75Å; Y534-F560 HydrophobicContact CG-CZ 4.25Å; Y534-W600 AromaticContact CD1-CH2 3.87Å; Y534-W600 HydrophobicContact CD1-CH2 3.87Å; Y534-W600 AromaticContact CD1-CZ3 3.72Å; Y534-W600 HydrophobicContact CD1-CZ3 3.72Å; Y534-W600 AromaticContact CD2-CZ3 3.95Å; Y534-W600 HydrophobicContact CD2-CZ3 3.95Å; Y534-W600 HydrophobicContact CE1-CZ3 4.16Å; Y534-W600 HydrophobicContact CE2-CZ3 4.34Å; Y534-W600 AromaticContact CG-CH2 3.96Å; Y534-W600 HydrophobicContact CG-CH2 3.96Å; Y534-W600 AromaticContact CG-CZ3 3.6Å; Y534-W600 HydrophobicContact CG-CZ3 3.6Å; Y534-S601 WeakPolarHBondContact OH-CA 3.37Å; Y534-S601 PolarHBondContact OH-O 3.48Å; Y534-C604 HydrophobicContact CD1-CB 4.37Å; Y534-C604 HydrophobicContact CE1-CB 3.66Å; Y534-D605 PolarHBondContact OH-OD1 3.47Å; Y534-K658 WeakPolarHBondContact OH-CE 3.36Å; Y534-K658 PolarHBondContact OH-NZ 3.48Å
535	R	95.9	Very high	95.2	Very high	72 Å²	72	39 Å²	39	27%	0.272	20%	0.197	S	C	.	.	H	α-helix	trans	-61.9	-49.8	172.3	-177	175.7	175.3	128.1	19.2	111.6	F508 Q531 L532 H537 C538 E539	F508-R535 HydrophobicContact CD2-CB 4.42Å; Q531-R535 WeakPolarHBondContact O-CB 3.46Å; Q531-R535 PolarHBondContact O-N 2.87Å; L532-R535 PolarHBondContact O-N 3.38Å; R535-H537 PolarHBondContact O-N 3.24Å; R535-C538 PolarHBondContact O-N 3.39Å; R535-C538 VanDerWaalsContact O-N 3.09Å; R535-E539 HydrophobicContact CG-CG 4.42Å; R535-E539 IonicContact CZ-OE1 3.87Å; R535-E539 VanDerWaalsContact CZ-OE1 3.26Å; R535-E539 IonicContact NE-OE1 3.41Å; R535-E539 PolarHBondContact NE-OE1 2.97Å; R535-E539 IonicContact NH2-OE1 2.7Å; R535-E539 PolarHBondContact NH2-OE1 3.18Å; R535-E539 WeakPolarHBondContact O-CG 3.4Å; R535-E539 PolarHBondContact O-N 3.33Å
536	E	94.9	Very high	95.2	Very high	77 Å²	77	35.8 Å²	35.8	36%	0.36	18%	0.181	S	C	.	.	H	α-helix	trans	-53.6	-39.6	173.8	-74	168.2	-158	0	0	111.6	L532 A540 R582	L532-E536 WeakPolarHBondContact O-CB 3.35Å; L532-E536 VanDerWaalsContact O-CG 3.32Å; L532-E536 WeakPolarHBondContact O-CG 3.25Å; L532-E536 PolarHBondContact O-N 3.37Å; E536-A540 WeakPolarHBondContact O-CB 3.5Å; E536-A540 PolarHBondContact O-N 2.92Å; E536-R582 VanDerWaalsContact CD-NH1 3.35Å; E536-R582 IonicContact OE1-CZ 3.29Å; E536-R582 IonicContact OE1-NH1 3.55Å; E536-R582 PolarHBondContact OE1-NH1 2.63Å; E536-R582 VanDerWaalsContact OE1-NH1 3.08Å; E536-R582 IonicContact OE1-NH2 2.74Å; E536-R582 PolarHBondContact OE1-NH2 3.29Å; E536-R582 IonicContact OE2-CZ 2.66Å; E536-R582 IonicContact OE2-NH1 3.56Å; E536-R582 PolarHBondContact OE2-NH1 3.2Å; E536-R582 IonicContact OE2-NH2 2.69Å
537	H	96.1	Very high	95	Very high	18 Å²	18	36.1 Å²	36.1	8%	0.083	18%	0.184	C	C	.	.	H	α-helix	trans	-68.1	-42.5	176.5	176	45.4	0	0	0	113.2	L533 Y534 R535 A540 I541 L556 W557 F560	L533-H537 VanDerWaalsContact O-CB 3.29Å; L533-H537 WeakPolarHBondContact O-CB 3.29Å; L533-H537 PolarHBondContact O-N 3.22Å; Y534-H537 WeakPolarHBondContact O-CB 3.17Å; Y534-H537 PolarHBondContact O-N 2.76Å; R535-H537 PolarHBondContact O-N 3.24Å; H537-A540 PolarHBondContact O-N 2.95Å; H537-I541 WeakPolarHBondContact O-CG1 3.28Å; H537-I541 PolarHBondContact O-N 3.35Å; H537-L556 PolarHBondContact CE1-O 2.74Å; H537-W557 AromaticContact CE1-CD1 3.66Å; H537-W557 AromaticContact NE2-CD1 3.42Å; H537-F560 HydrophobicContact CB-CD2 3.6Å; H537-F560 HydrophobicContact CB-CE2 4.01Å; H537-F560 HydrophobicContact CB-CG 4.16Å; H537-F560 AromaticContact CD2-CD1 3.74Å; H537-F560 AromaticContact CD2-CD2 3.8Å; H537-F560 AromaticContact CD2-CG 3.48Å; H537-F560 VanDerWaalsContact CD2-CG 3.48Å; H537-F560 WeakPolarHBondContact CD2-CG 3.36Å; H537-F560 AromaticContact CG-CD2 3.68Å; H537-F560 AromaticContact CG-CG 3.71Å; H537-F560 AromaticContact NE2-CG 3.9Å
538	C	97.6	Very high	95	Very high	1 Å²	1	36.8 Å²	36.8	1%	0.007	19%	0.188	C	C	.	.	H	α-helix	trans	-65.6	-40.2	175.3	-66	0	0	0	0	112.2	L505 F508 Y534 R535 I541 L542 L608	L505-C538 HydrophobicContact CD2-CB 3.72Å; F508-C538 HydrophobicContact CE2-CB 4Å; F508-C538 HydrophobicContact CZ-CB 3.93Å; Y534-C538 VanDerWaalsContact CE1-SG 3.57Å; Y534-C538 PolarHBondContact O-N 2.79Å; Y534-C538 PolarHBondContact O-SG 2.98Å; R535-C538 PolarHBondContact O-N 3.39Å; R535-C538 VanDerWaalsContact O-N 3.09Å; C538-I541 PolarHBondContact O-N 3.14Å; C538-L542 PolarHBondContact O-N 3.04Å; C538-L608 HydrophobicContact CB-CD1 4.28Å; C538-L608 HydrophobicContact CB-CD2 4.12Å
539	E	95.7	Very high	94.9	Very high	76 Å²	76	36.1 Å²	36.1	36%	0.355	19%	0.186	S	C	.	.	H	α-helix	trans	-67	-36.9	175.5	-69.3	174.9	170	0	0	111.5	L505 R535 L542 D543	L505-E539 HydrophobicContact CB-CG 4.5Å; L505-E539 HydrophobicContact CD2-CG 3.83Å; R535-E539 HydrophobicContact CG-CG 4.42Å; R535-E539 IonicContact CZ-OE1 3.87Å; R535-E539 VanDerWaalsContact CZ-OE1 3.26Å; R535-E539 IonicContact NE-OE1 3.41Å; R535-E539 PolarHBondContact NE-OE1 2.97Å; R535-E539 IonicContact NH2-OE1 2.7Å; R535-E539 PolarHBondContact NH2-OE1 3.18Å; R535-E539 WeakPolarHBondContact O-CG 3.4Å; R535-E539 PolarHBondContact O-N 3.33Å; E539-L542 WeakPolarHBondContact O-CB 3.5Å; E539-L542 PolarHBondContact O-N 3.47Å; E539-D543 PolarHBondContact O-N 2.81Å; E539-D543 VanDerWaalsContact O-N 3.1Å
540	A	96.1	Very high	94.9	Very high	36 Å²	36	35.7 Å²	35.7	30%	0.298	18%	0.181	S	C	.	.	H	α-helix	trans	-66.4	-36	171.3	0	0	0	0	0	113.1	E536 H537 V544 L556	E536-A540 WeakPolarHBondContact O-CB 3.5Å; E536-A540 PolarHBondContact O-N 2.92Å; H537-A540 PolarHBondContact O-N 2.95Å; A540-V544 PolarHBondContact O-N 2.77Å; A540-L556 HydrophobicContact CB-CD1 4.16Å; A540-L556 HydrophobicContact CB-CD2 4.06Å; A540-L556 WeakPolarHBondContact O-CD1 3.38Å
541	I	97.3	Very high	94.8	Very high	4 Å²	4	40.1 Å²	40.1	2%	0.021	21%	0.208	C	C	.	.	H	α-helix	trans	-64.9	-41.7	171.7	-71.2	171.1	0	0	0	110.3	H537 C538 D543 V544 M545 L556 L608 L612	H537-I541 WeakPolarHBondContact O-CG1 3.28Å; H537-I541 PolarHBondContact O-N 3.35Å; C538-I541 PolarHBondContact O-N 3.14Å; I541-D543 PolarHBondContact O-N 2.81Å; I541-V544 WeakPolarHBondContact O-CG2 3.44Å; I541-V544 PolarHBondContact O-N 2.96Å; I541-M545 HydrophobicContact CG2-CG 4.09Å; I541-M545 VanDerWaalsContact O-CB 3.31Å; I541-M545 WeakPolarHBondContact O-CB 3.41Å; I541-M545 WeakPolarHBondContact O-CG 3.42Å; I541-M545 PolarHBondContact O-N 3.28Å; I541-M545 VanDerWaalsContact O-N 3.08Å; I541-L556 HydrophobicContact CB-CD1 4.48Å; I541-L556 HydrophobicContact CG1-CB 4.37Å; I541-L556 HydrophobicContact CG1-CD1 3.84Å; I541-L608 HydrophobicContact CB-CD2 4.46Å; I541-L608 HydrophobicContact CD1-CD2 4.21Å; I541-L608 HydrophobicContact CG2-CD1 4.44Å; I541-L608 HydrophobicContact CG2-CD2 4.25Å; I541-L612 HydrophobicContact CG2-CD1 3.93Å
542	L	95.7	Very high	94.8	Very high	19 Å²	19	41.9 Å²	41.9	10%	0.099	22%	0.218	C	C	.	.	H	α-helix	trans	-57.6	-48.3	178.5	-167.5	69	0	0	0	111.8	L505 C538 E539 M545 V546 L612 I615	L505-L542 HydrophobicContact CB-CD2 4.15Å; C538-L542 PolarHBondContact O-N 3.04Å; E539-L542 WeakPolarHBondContact O-CB 3.5Å; E539-L542 PolarHBondContact O-N 3.47Å; L542-M545 PolarHBondContact O-N 2.92Å; L542-V546 WeakPolarHBondContact O-CG2 3.45Å; L542-V546 PolarHBondContact O-N 3.2Å; L542-L612 HydrophobicContact CD1-CD2 3.88Å; L542-I615 HydrophobicContact CD1-CD1 3.36Å; L542-I615 HydrophobicContact CG-CD1 4.38Å
543	D	93.9	Very high	94.9	Very high	95 Å²	95	37.6 Å²	37.6	51%	0.508	20%	0.195	S	C	.	.	H	α-helix	trans	-62.3	-49.4	179.4	177.8	68.6	0	0	0	112.8	E539 I541 M545 V546 N547	E539-D543 PolarHBondContact O-N 2.81Å; E539-D543 VanDerWaalsContact O-N 3.1Å; I541-D543 PolarHBondContact O-N 2.81Å; D543-M545 PolarHBondContact O-N 3.43Å; D543-V546 PolarHBondContact O-N 3.2Å; D543-N547 WeakPolarHBondContact O-CB 3.35Å; D543-N547 PolarHBondContact O-N 2.78Å; D543-N547 PolarHBondContact O-ND2 3.49Å; D543-N547 PolarHBondContact OD1-ND2 3.5Å
544	V	94.9	Very high	95	Very high	12 Å²	12	39 Å²	39	7%	0.073	20%	0.202	C	C	.	.	H	α-helix	trans	-64.6	-27.1	179.2	-59.1	0	0	0	0	112.1	A540 I541 L548 Q549 L552 V553 L556	A540-V544 PolarHBondContact O-N 2.77Å; I541-V544 WeakPolarHBondContact O-CG2 3.44Å; I541-V544 PolarHBondContact O-N 2.96Å; V544-L548 PolarHBondContact O-N 3.19Å; V544-Q549 HydrophobicContact CB-CB 4.2Å; V544-Q549 WeakPolarHBondContact O-CA 3.38Å; V544-Q549 PolarHBondContact O-N 2.97Å; V544-L552 HydrophobicContact CB-CB 4.21Å; V544-L552 HydrophobicContact CG1-CB 4Å; V544-L552 HydrophobicContact CG1-CD1 3.91Å; V544-L552 HydrophobicContact CG2-CB 4.43Å; V544-V553 HydrophobicContact CG2-CG2 3.89Å; V544-L556 HydrophobicContact CG1-CD1 4.11Å; V544-L556 HydrophobicContact CG2-CD1 3.7Å
545	M	94.6	Very high	94.8	Very high	1 Å²	1	42.3 Å²	42.3	1%	0.005	22%	0.222	C	C	.	.	H	α-helix	trans	-75.5	-42.8	176.2	-71.7	-71.8	-69.4	0	0	112.7	I541 L542 D543 N547 L548 F550 V553 L612 L616 F635 F665	I541-M545 HydrophobicContact CG2-CG 4.09Å; I541-M545 VanDerWaalsContact O-CB 3.31Å; I541-M545 WeakPolarHBondContact O-CB 3.41Å; I541-M545 WeakPolarHBondContact O-CG 3.42Å; I541-M545 PolarHBondContact O-N 3.28Å; I541-M545 VanDerWaalsContact O-N 3.08Å; L542-M545 PolarHBondContact O-N 2.92Å; D543-M545 PolarHBondContact O-N 3.43Å; M545-N547 PolarHBondContact O-N 3.03Å; M545-L548 PolarHBondContact O-N 2.79Å; M545-F550 HydrophobicContact CE-CD1 4.2Å; M545-F550 HydrophobicContact CE-CE1 3.9Å; M545-F550 HydrophobicContact SD-CD1 3.63Å; M545-F550 HydrophobicContact SD-CE1 3.87Å; M545-V553 HydrophobicContact CG-CG2 4.28Å; M545-V553 HydrophobicContact SD-CG2 3.95Å; M545-L612 HydrophobicContact CB-CD2 3.52Å; M545-L612 HydrophobicContact CE-CB 4.34Å; M545-L612 HydrophobicContact CE-CD1 4.23Å; M545-L612 HydrophobicContact CE-CD2 4.1Å; M545-L612 HydrophobicContact CE-CG 4.47Å; M545-L612 HydrophobicContact CG-CD1 4.29Å; M545-L612 HydrophobicContact CG-CD2 3.66Å; M545-L616 HydrophobicContact CE-CD1 3.6Å; M545-L616 HydrophobicContact CE-CG 4.3Å; M545-F635 HydrophobicContact CE-CD1 4.32Å; M545-F635 HydrophobicContact CE-CE1 3.47Å; M545-F635 VanDerWaalsContact CE-CE1 3.47Å; M545-F635 HydrophobicContact CE-CZ 3.68Å; M545-F635 HydrophobicContact SD-CE1 3.84Å; M545-F635 HydrophobicContact SD-CE2 4.03Å; M545-F635 HydrophobicContact SD-CZ 3.44Å; M545-F635 WeakPolarHBondContact SD-CZ 3.31Å; M545-F665 HydrophobicContact CE-CZ 4.2Å
546	V	91.4	Very high	94.8	Very high	24 Å²	24	40.8 Å²	40.8	15%	0.145	22%	0.219	C	C	.	.	H	α-helix	trans	-61.3	-34.7	171.9	168.3	0	0	0	0	111.3	L499 A501 L542 D543 L548 I615	L499-V546 WeakPolarHBondContact CD1-O 3.48Å; A501-V546 HydrophobicContact CB-CG1 3.73Å; L542-V546 WeakPolarHBondContact O-CG2 3.45Å; L542-V546 PolarHBondContact O-N 3.2Å; D543-V546 PolarHBondContact O-N 3.2Å; V546-L548 VanDerWaalsContact C-N 3.28Å; V546-L548 PolarHBondContact O-N 2.98Å; V546-I615 HydrophobicContact CG2-CD1 4.36Å; V546-I615 HydrophobicContact CG2-CG2 3.95Å
547	N	90.6	Very high	94.9	Very high	46 Å²	46	37.4 Å²	37.4	25%	0.246	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.7	3.5	174.3	-70.4	-71.1	0	0	0	114.1	D543 M545 Q549	D543-N547 WeakPolarHBondContact O-CB 3.35Å; D543-N547 PolarHBondContact O-N 2.78Å; D543-N547 PolarHBondContact O-ND2 3.49Å; D543-N547 PolarHBondContact OD1-ND2 3.5Å; M545-N547 PolarHBondContact O-N 3.03Å; N547-Q549 HydrophobicContact CB-CG 4Å; N547-Q549 WeakPolarHBondContact O-CG 3.27Å; N547-Q549 PolarHBondContact O-N 2.92Å; N547-Q549 VanDerWaalsContact O-N 3.17Å
548	L	92.8	Very high	94.8	Very high	22 Å²	22	39.1 Å²	39.1	12%	0.115	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.8	21.1	-178.3	-58.6	173.5	0	0	0	114.9	V492 Y495 L499 V544 M545 V546 F550 L616 L628	V492-L548 HydrophobicContact CG1-CD1 4.49Å; Y495-L548 HydrophobicContact CD2-CD1 4.28Å; Y495-L548 HydrophobicContact CG-CD1 4.43Å; L499-L548 HydrophobicContact CD1-CD1 4.31Å; L499-L548 HydrophobicContact CD1-CD2 3.92Å; L499-L548 HydrophobicContact CD1-CG 4.02Å; L499-L548 HydrophobicContact CD2-CD2 4.29Å; V544-L548 PolarHBondContact O-N 3.19Å; M545-L548 PolarHBondContact O-N 2.79Å; V546-L548 VanDerWaalsContact C-N 3.28Å; V546-L548 PolarHBondContact O-N 2.98Å; L548-F550 HydrophobicContact CB-CE2 4.21Å; L548-F550 HydrophobicContact CD2-CE1 4.48Å; L548-F550 HydrophobicContact CD2-CE2 3.9Å; L548-F550 HydrophobicContact CD2-CZ 3.59Å; L548-F550 WeakPolarHBondContact O-CD2 3.36Å; L548-F550 PolarHBondContact O-N 3.4Å; L548-L616 HydrophobicContact CD2-CD2 3.99Å; L548-L628 HydrophobicContact CD1-CD1 3.9Å; L548-L628 HydrophobicContact CD2-CD1 3.87Å
549	Q	92.9	Very high	94.5	Very high	91 Å²	91	41 Å²	41	43%	0.425	22%	0.222	S	C	.	.			trans	-83.7	48.6	-179.5	-60.3	179.9	7.6	0	0	111.5	V544 N547 T551 L552	V544-Q549 HydrophobicContact CB-CB 4.2Å; V544-Q549 WeakPolarHBondContact O-CA 3.38Å; V544-Q549 PolarHBondContact O-N 2.97Å; N547-Q549 HydrophobicContact CB-CG 4Å; N547-Q549 WeakPolarHBondContact O-CG 3.27Å; N547-Q549 PolarHBondContact O-N 2.92Å; N547-Q549 VanDerWaalsContact O-N 3.17Å; Q549-T551 PolarHBondContact O-N 2.97Å; Q549-L552 HydrophobicContact CB-CD1 3.96Å; Q549-L552 HydrophobicContact CB-CG 4.24Å; Q549-L552 WeakPolarHBondContact O-CB 3.36Å; Q549-L552 PolarHBondContact O-N 3.37Å
550	F	94.8	Very high	94.4	Very high	22 Å²	22	38.2 Å²	38.2	10%	0.096	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-45.9	-32.5	-171.3	-67.9	-60.4	0	0	0	116	M545 L548 L552 V553 L616 A631 I632 F635	M545-F550 HydrophobicContact CE-CD1 4.2Å; M545-F550 HydrophobicContact CE-CE1 3.9Å; M545-F550 HydrophobicContact SD-CD1 3.63Å; M545-F550 HydrophobicContact SD-CE1 3.87Å; L548-F550 HydrophobicContact CB-CE2 4.21Å; L548-F550 HydrophobicContact CD2-CE1 4.48Å; L548-F550 HydrophobicContact CD2-CE2 3.9Å; L548-F550 HydrophobicContact CD2-CZ 3.59Å; L548-F550 WeakPolarHBondContact O-CD2 3.36Å; L548-F550 PolarHBondContact O-N 3.4Å; F550-L552 VanDerWaalsContact C-N 3.32Å; F550-L552 PolarHBondContact O-N 2.69Å; F550-V553 PolarHBondContact O-N 3.25Å; F550-L616 HydrophobicContact CE1-CD1 4.23Å; F550-L616 HydrophobicContact CE1-CD2 4.06Å; F550-L616 HydrophobicContact CZ-CD2 3.96Å; F550-A631 HydrophobicContact CD2-CB 4.45Å; F550-A631 HydrophobicContact CE2-CB 3.99Å; F550-I632 HydrophobicContact CZ-CG1 3.99Å; F550-F635 HydrophobicContact CB-CB 4.05Å; F550-F635 HydrophobicContact CB-CD2 3.63Å; F550-F635 HydrophobicContact CB-CE2 4.31Å; F550-F635 HydrophobicContact CB-CG 4.04Å; F550-F635 HydrophobicContact CD1-CB 3.82Å; F550-F635 AromaticContact CD1-CD1 3.73Å; F550-F635 HydrophobicContact CD1-CD1 3.73Å; F550-F635 AromaticContact CD1-CD2 3.64Å; F550-F635 HydrophobicContact CD1-CD2 3.64Å; F550-F635 HydrophobicContact CD1-CE1 4.14Å; F550-F635 HydrophobicContact CD1-CE2 4.03Å; F550-F635 AromaticContact CD1-CG 3.44Å; F550-F635 HydrophobicContact CD1-CG 3.44Å; F550-F635 VanDerWaalsContact CD1-CG 3.44Å; F550-F635 HydrophobicContact CD1-CZ 4.25Å; F550-F635 HydrophobicContact CD2-CB 4.44Å; F550-F635 HydrophobicContact CE1-CB 4.38Å; F550-F635 AromaticContact CE1-CD1 4Å; F550-F635 HydrophobicContact CE1-CD1 4Å; F550-F635 HydrophobicContact CE1-CE1 4.42Å; F550-F635 HydrophobicContact CE1-CG 4.11Å; F550-F635 HydrophobicContact CG-CB 3.86Å; F550-F635 AromaticContact CG-CD2 3.96Å; F550-F635 HydrophobicContact CG-CD2 3.96Å; F550-F635 AromaticContact CG-CG 3.9Å; F550-F635 HydrophobicContact CG-CG 3.9Å
551	T	93.6	Very high	94.3	Very high	93 Å²	93	36.7 Å²	36.7	57%	0.571	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.1	-20.7	179.1	48.8	0	0	0	0	114.1	Q549 V553 W642	Q549-T551 PolarHBondContact O-N 2.97Å; T551-V553 VanDerWaalsContact C-N 3.28Å; T551-V553 PolarHBondContact O-N 3.41Å; T551-W642 HydrophobicContact CG2-CH2 4.25Å
552	L	95.5	Very high	93.9	Very high	65 Å²	65	36.6 Å²	36.6	34%	0.34	19%	0.194	S	C	.	.	H	α-helix	trans	-74	-18.6	177.3	-65.1	-176	0	0	0	112.7	V544 Q549 F550 E554 T555 L556	V544-L552 HydrophobicContact CB-CB 4.21Å; V544-L552 HydrophobicContact CG1-CB 4Å; V544-L552 HydrophobicContact CG1-CD1 3.91Å; V544-L552 HydrophobicContact CG2-CB 4.43Å; Q549-L552 HydrophobicContact CB-CD1 3.96Å; Q549-L552 HydrophobicContact CB-CG 4.24Å; Q549-L552 WeakPolarHBondContact O-CB 3.36Å; Q549-L552 PolarHBondContact O-N 3.37Å; F550-L552 VanDerWaalsContact C-N 3.32Å; F550-L552 PolarHBondContact O-N 2.69Å; L552-E554 VanDerWaalsContact C-N 3.3Å; L552-E554 PolarHBondContact O-N 3.01Å; L552-T555 CarbonylContact O-C 3.54Å; L552-T555 WeakPolarHBondContact O-CA 3.2Å; L552-T555 VanDerWaalsContact O-CB 3.3Å; L552-T555 WeakPolarHBondContact O-CB 3.42Å; L552-T555 PolarHBondContact O-N 3.45Å; L552-L556 WeakPolarHBondContact O-CG 3.34Å; L552-L556 PolarHBondContact O-N 3.39Å
553	V	97.2	Very high	93.2	Very high	2 Å²	2	38 Å²	38	1%	0.012	20%	0.2	C	C	.	.	H	α-helix	trans	-59.3	-40.7	175.7	-178.5	0	0	0	0	111.3	V544 M545 F550 T551 T555 L556 W557 F635	V544-V553 HydrophobicContact CG2-CG2 3.89Å; M545-V553 HydrophobicContact CG-CG2 4.28Å; M545-V553 HydrophobicContact SD-CG2 3.95Å; F550-V553 PolarHBondContact O-N 3.25Å; T551-V553 VanDerWaalsContact C-N 3.28Å; T551-V553 PolarHBondContact O-N 3.41Å; V553-T555 VanDerWaalsContact C-N 3.28Å; V553-T555 PolarHBondContact O-N 2.86Å; V553-L556 PolarHBondContact O-N 3.46Å; V553-W557 HydrophobicContact CG1-CD2 4.01Å; V553-W557 HydrophobicContact CG1-CE3 4.14Å; V553-W557 HydrophobicContact CG1-CH2 4.11Å; V553-W557 HydrophobicContact CG1-CZ2 3.92Å; V553-W557 HydrophobicContact CG1-CZ3 4.18Å; V553-W557 PolarHBondContact O-N 3.01Å; V553-F635 HydrophobicContact CB-CE2 4.16Å; V553-F635 HydrophobicContact CG1-CE2 4.43Å; V553-F635 HydrophobicContact CG2-CE2 3.92Å; V553-F635 HydrophobicContact CG2-CZ 4.28Å
554	E	95.8	Very high	91.9	Very high	43 Å²	43	37.7 Å²	37.7	20%	0.201	21%	0.205	C	C	.	.	H	α-helix	trans	-60.9	-37.5	172.3	-172.2	-175.1	-171.5	0	0	112	L552 K558 W642	L552-E554 VanDerWaalsContact C-N 3.3Å; L552-E554 PolarHBondContact O-N 3.01Å; E554-K558 VanDerWaalsContact CD-NZ 3.33Å; E554-K558 HydrophobicContact CG-CD 4.18Å; E554-K558 WeakPolarHBondContact O-CB 3.33Å; E554-K558 VanDerWaalsContact O-CG 3.31Å; E554-K558 WeakPolarHBondContact O-CG 3.19Å; E554-K558 PolarHBondContact O-N 3.39Å; E554-K558 VanDerWaalsContact O-N 3.09Å; E554-K558 WeakPolarHBondContact OE1-CE 3.27Å; E554-K558 IonicContact OE1-NZ 3.8Å; E554-K558 PolarHBondContact OE1-NZ 3.21Å; E554-W642 HydrophobicContact CB-CB 4.11Å; E554-W642 HydrophobicContact CB-CD2 3.83Å; E554-W642 HydrophobicContact CB-CE3 4.16Å; E554-W642 HydrophobicContact CB-CG 3.83Å; E554-W642 HydrophobicContact CG-CB 3.89Å; E554-W642 HydrophobicContact CG-CD2 4.23Å; E554-W642 HydrophobicContact CG-CG 3.72Å; E554-W642 PolarHBondContact OE2-NE1 3.35Å; E554-W642 VanDerWaalsContact OE2-NE1 3.09Å
555	T	94.2	Very high	90	Very high	70 Å²	70	44.1 Å²	44.1	43%	0.429	23%	0.234	S	C	.	.	H	α-helix	trans	-68.5	-47.8	178.2	-51.9	0	0	0	0	110.7	L552 V553 W557 K558 T559	L552-T555 CarbonylContact O-C 3.54Å; L552-T555 WeakPolarHBondContact O-CA 3.2Å; L552-T555 VanDerWaalsContact O-CB 3.3Å; L552-T555 WeakPolarHBondContact O-CB 3.42Å; L552-T555 PolarHBondContact O-N 3.45Å; V553-T555 VanDerWaalsContact C-N 3.28Å; V553-T555 PolarHBondContact O-N 2.86Å; T555-W557 PolarHBondContact O-N 3.44Å; T555-K558 PolarHBondContact O-N 3.13Å; T555-T559 PolarHBondContact O-N 2.77Å; T555-T559 PolarHBondContact O-OG1 2.83Å; T555-T559 VanDerWaalsContact O-OG1 3.13Å
556	L	95.6	Very high	87.5	Confident	40 Å²	40	49.8 Å²	49.8	21%	0.209	27%	0.274	C	S	.	.	H	α-helix	trans	-59.3	-44.8	178.3	-68.4	174.6	0	0	0	111.9	H537 A540 I541 V544 L552 V553 T559 F560	H537-L556 PolarHBondContact CE1-O 2.74Å; A540-L556 HydrophobicContact CB-CD1 4.16Å; A540-L556 HydrophobicContact CB-CD2 4.06Å; A540-L556 WeakPolarHBondContact O-CD1 3.38Å; I541-L556 HydrophobicContact CB-CD1 4.48Å; I541-L556 HydrophobicContact CG1-CB 4.37Å; I541-L556 HydrophobicContact CG1-CD1 3.84Å; V544-L556 HydrophobicContact CG1-CD1 4.11Å; V544-L556 HydrophobicContact CG2-CD1 3.7Å; L552-L556 WeakPolarHBondContact O-CG 3.34Å; L552-L556 PolarHBondContact O-N 3.39Å; V553-L556 PolarHBondContact O-N 3.46Å; L556-T559 PolarHBondContact O-N 3.44Å; L556-F560 WeakPolarHBondContact O-CB 3.42Å; L556-F560 PolarHBondContact O-N 3.44Å
557	W	96.4	Very high	85.1	Confident	6 Å²	6	54.9 Å²	54.9	2%	0.023	30%	0.296	C	S	.	.	H	α-helix	trans	-60.3	-46.9	174.4	-74.1	-29.9	0	0	0	111.9	H537 V553 T555 T559 F560 W561 L639 W642 L643 A646	H537-W557 AromaticContact CE1-CD1 3.66Å; H537-W557 AromaticContact NE2-CD1 3.42Å; V553-W557 HydrophobicContact CG1-CD2 4.01Å; V553-W557 HydrophobicContact CG1-CE3 4.14Å; V553-W557 HydrophobicContact CG1-CH2 4.11Å; V553-W557 HydrophobicContact CG1-CZ2 3.92Å; V553-W557 HydrophobicContact CG1-CZ3 4.18Å; V553-W557 PolarHBondContact O-N 3.01Å; T555-W557 PolarHBondContact O-N 3.44Å; W557-T559 VanDerWaalsContact C-N 3.31Å; W557-T559 PolarHBondContact O-N 3.31Å; W557-F560 PolarHBondContact O-N 3.13Å; W557-W561 WeakPolarHBondContact O-CB 3.4Å; W557-W561 PolarHBondContact O-N 3.29Å; W557-L639 HydrophobicContact CH2-CB 4.5Å; W557-L639 HydrophobicContact CH2-CD2 3.54Å; W557-L639 HydrophobicContact CZ2-CD2 4.35Å; W557-L639 HydrophobicContact CZ3-CD2 4.26Å; W557-L639 WeakPolarHBondContact CZ3-O 3.44Å; W557-W642 HydrophobicContact CE3-CB 4.09Å; W557-W642 HydrophobicContact CZ3-CB 3.83Å; W557-L643 HydrophobicContact CD2-CD1 3.89Å; W557-L643 HydrophobicContact CE3-CB 4Å; W557-L643 HydrophobicContact CE3-CD1 4.22Å; W557-L643 HydrophobicContact CG-CD1 4.23Å; W557-L643 HydrophobicContact CH2-CB 3.89Å; W557-L643 HydrophobicContact CH2-CD1 4.4Å; W557-L643 HydrophobicContact CZ2-CB 4.46Å; W557-L643 HydrophobicContact CZ2-CD1 4.13Å; W557-L643 HydrophobicContact CZ3-CB 3.66Å; W557-L643 HydrophobicContact CZ3-CD1 4.46Å; W557-A646 HydrophobicContact CB-CB 3.75Å
558	K	93.4	Very high	82.6	Confident	54 Å²	54	57.9 Å²	57.9	24%	0.235	33%	0.327	C	S	.	.	H	α-helix	trans	-61.1	-38.4	177.6	-77.1	171.1	175.7	171.4	0	112.5	E554 T555 R562 F563 A646	E554-K558 VanDerWaalsContact CD-NZ 3.33Å; E554-K558 HydrophobicContact CG-CD 4.18Å; E554-K558 WeakPolarHBondContact O-CB 3.33Å; E554-K558 VanDerWaalsContact O-CG 3.31Å; E554-K558 WeakPolarHBondContact O-CG 3.19Å; E554-K558 PolarHBondContact O-N 3.39Å; E554-K558 VanDerWaalsContact O-N 3.09Å; E554-K558 WeakPolarHBondContact OE1-CE 3.27Å; E554-K558 IonicContact OE1-NZ 3.8Å; E554-K558 PolarHBondContact OE1-NZ 3.21Å; T555-K558 PolarHBondContact O-N 3.13Å; K558-R562 PolarHBondContact O-N 3.01Å; K558-F563 HydrophobicContact CB-CB 3.97Å; K558-F563 HydrophobicContact CB-CD1 4.34Å; K558-F563 HydrophobicContact CD-CD1 4.02Å; K558-F563 HydrophobicContact CD-CE1 4.45Å; K558-F563 HydrophobicContact CG-CB 4.02Å; K558-F563 HydrophobicContact CG-CD1 3.86Å; K558-F563 HydrophobicContact CG-CG 4.09Å; K558-F563 WeakPolarHBondContact O-CB 3.43Å; K558-F563 PolarHBondContact O-N 2.88Å; K558-A646 HydrophobicContact CG-CB 3.8Å
559	T	91.9	Very high	80.2	Confident	40 Å²	40	60.1 Å²	60.1	25%	0.245	36%	0.355	C	S	.	.	H	α-helix	trans	-65.9	-50.9	174.9	-58.9	0	0	0	0	111.4	T555 L556 W557 R562 V575	T555-T559 PolarHBondContact O-N 2.77Å; T555-T559 PolarHBondContact O-OG1 2.83Å; T555-T559 VanDerWaalsContact O-OG1 3.13Å; L556-T559 PolarHBondContact O-N 3.44Å; W557-T559 VanDerWaalsContact C-N 3.31Å; W557-T559 PolarHBondContact O-N 3.31Å; T559-R562 PolarHBondContact O-N 3.11Å; T559-R562 VanDerWaalsContact O-N 3.17Å; T559-V575 HydrophobicContact CG2-CG1 4.26Å
560	F	94.1	Very high	77.8	Confident	18 Å²	18	62.5 Å²	62.5	8%	0.079	37%	0.371	C	S	.	.	H	α-helix	trans	-62.4	-48.4	-177.3	-177.3	-97.8	0	0	0	112.6	F530 L533 Y534 H537 L556 W557 R562	F530-F560 HydrophobicContact CE2-CZ 4.27Å; L533-F560 HydrophobicContact CB-CE2 4.11Å; L533-F560 WeakPolarHBondContact O-CE2 3.43Å; Y534-F560 HydrophobicContact CD2-CE1 4.1Å; Y534-F560 AromaticContact CD2-CZ 3.75Å; Y534-F560 HydrophobicContact CD2-CZ 3.75Å; Y534-F560 HydrophobicContact CG-CZ 4.25Å; H537-F560 HydrophobicContact CB-CD2 3.6Å; H537-F560 HydrophobicContact CB-CE2 4.01Å; H537-F560 HydrophobicContact CB-CG 4.16Å; H537-F560 AromaticContact CD2-CD1 3.74Å; H537-F560 AromaticContact CD2-CD2 3.8Å; H537-F560 AromaticContact CD2-CG 3.48Å; H537-F560 VanDerWaalsContact CD2-CG 3.48Å; H537-F560 WeakPolarHBondContact CD2-CG 3.36Å; H537-F560 AromaticContact CG-CD2 3.68Å; H537-F560 AromaticContact CG-CG 3.71Å; H537-F560 AromaticContact NE2-CG 3.9Å; L556-F560 WeakPolarHBondContact O-CB 3.42Å; L556-F560 PolarHBondContact O-N 3.44Å; W557-F560 PolarHBondContact O-N 3.13Å; F560-R562 PolarHBondContact O-N 3.44Å; F560-R562 VanDerWaalsContact O-N 3.15Å; F560-R562 PolarHBondContact O-NH1 3.11Å
561	W	93.8	Very high	75.5	Confident	3 Å²	3	67.5 Å²	67.5	1%	0.011	40%	0.404	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.9	4.9	178.3	-61.2	116.8	0	0	0	114.1	W557 F563 L588 M647 I650 M654 K658	W557-W561 WeakPolarHBondContact O-CB 3.4Å; W557-W561 PolarHBondContact O-N 3.29Å; W561-F563 VanDerWaalsContact C-N 3.29Å; W561-F563 PolarHBondContact O-N 3.19Å; W561-L588 HydrophobicContact CE3-CD2 4.47Å; W561-L588 HydrophobicContact CZ3-CD1 4.35Å; W561-M647 HydrophobicContact CD2-CE 4.33Å; W561-M647 HydrophobicContact CD2-CG 4.05Å; W561-M647 HydrophobicContact CG-CG 3.81Å; W561-M647 HydrophobicContact CH2-CE 4.23Å; W561-M647 HydrophobicContact CZ2-CE 3.98Å; W561-M647 HydrophobicContact CZ2-SD 4.4Å; W561-I650 HydrophobicContact CB-CD1 4.39Å; W561-I650 HydrophobicContact CB-CG1 4.21Å; W561-I650 HydrophobicContact CD2-CG1 4.21Å; W561-I650 HydrophobicContact CE3-CD1 3.72Å; W561-I650 HydrophobicContact CE3-CG1 3.76Å; W561-I650 HydrophobicContact CE3-CG2 4.18Å; W561-I650 HydrophobicContact CG-CG1 4.42Å; W561-I650 HydrophobicContact CZ3-CD1 4.48Å; W561-I650 HydrophobicContact CZ3-CG2 4.16Å; W561-M654 HydrophobicContact CH2-CG 4.15Å; W561-M654 HydrophobicContact CH2-SD 4.24Å; W561-M654 HydrophobicContact CZ3-CG 4.43Å; W561-K658 HydrophobicContact CH2-CD 4.02Å; W561-K658 HydrophobicContact CZ2-CD 3.55Å; W561-K658 VanDerWaalsContact CZ2-CE 3.48Å
562	R	89.6	Confident	73.3	Confident	3 Å²	3	68.1 Å²	68.1	1%	0.011	41%	0.409	C	S	.	.	T	Hydrogen-bonded Turn	trans	53.5	46.9	178	-61.4	156.9	172.6	69.4	-9.8	111.2	K558 T559 F560 S564 S579 E580 L583 K585	K558-R562 PolarHBondContact O-N 3.01Å; T559-R562 PolarHBondContact O-N 3.11Å; T559-R562 VanDerWaalsContact O-N 3.17Å; F560-R562 PolarHBondContact O-N 3.44Å; F560-R562 VanDerWaalsContact O-N 3.15Å; F560-R562 PolarHBondContact O-NH1 3.11Å; R562-S564 PolarHBondContact O-N 2.66Å; R562-S579 PolarHBondContact NH2-O 3.43Å; R562-E580 VanDerWaalsContact CD-OE2 3.27Å; R562-E580 WeakPolarHBondContact CD-OE2 3.45Å; R562-E580 IonicContact CZ-OE2 3.26Å; R562-E580 IonicContact NE-OE2 2.84Å; R562-E580 PolarHBondContact NE-OE2 3.11Å; R562-L583 PolarHBondContact NH2-O 3Å; R562-K585 HydrophobicContact CB-CD 3.87Å; R562-K585 HydrophobicContact CB-CG 4.49Å; R562-K585 PolarHBondContact O-NZ 3.46Å
563	F	79.7	Confident	71.3	Confident	48 Å²	48	70.9 Å²	70.9	21%	0.211	42%	0.422	C	S	.	.			trans	-70.2	90.1	178	-179.8	-100	0	0	0	110	K558 W561 Q565 N645 M648	K558-F563 HydrophobicContact CB-CB 3.97Å; K558-F563 HydrophobicContact CB-CD1 4.34Å; K558-F563 HydrophobicContact CD-CD1 4.02Å; K558-F563 HydrophobicContact CD-CE1 4.45Å; K558-F563 HydrophobicContact CG-CB 4.02Å; K558-F563 HydrophobicContact CG-CD1 3.86Å; K558-F563 HydrophobicContact CG-CG 4.09Å; K558-F563 WeakPolarHBondContact O-CB 3.43Å; K558-F563 PolarHBondContact O-N 2.88Å; W561-F563 VanDerWaalsContact C-N 3.29Å; W561-F563 PolarHBondContact O-N 3.19Å; F563-Q565 HydrophobicContact CD1-CB 4.37Å; F563-Q565 HydrophobicContact CE1-CB 3.73Å; F563-Q565 HydrophobicContact CE1-CG 4.2Å; F563-Q565 HydrophobicContact CZ-CB 4.32Å; F563-Q565 HydrophobicContact CZ-CG 4.45Å; F563-Q565 PolarHBondContact O-N 2.87Å; F563-N645 VanDerWaalsContact CD2-O 3.27Å; F563-N645 WeakPolarHBondContact CD2-O 3.47Å; F563-N645 WeakPolarHBondContact CE2-O 3.23Å; F563-M648 HydrophobicContact CE2-CB 4.21Å; F563-M648 HydrophobicContact CE2-CG 4.43Å
564	S	67.9	Low	69.2	Low	89 Å²	89	74.4 Å²	74.4	62%	0.622	45%	0.451	S	S	*	.			trans	-83.6	97.8	173.4	-174.3	0	0	0	0	109.6	R562 S566	R562-S564 PolarHBondContact O-N 2.66Å; S564-S566 PolarHBondContact O-N 2.77Å
565	Q	54	Low	67.3	Low	147 Å²	147	76.5 Å²	76.5	69%	0.687	47%	0.467	S	S	*	.			trans	-74	106.9	168.6	-161.6	162.9	20.4	0	0	108.1	F563 Q567	F563-Q565 HydrophobicContact CD1-CB 4.37Å; F563-Q565 HydrophobicContact CE1-CB 3.73Å; F563-Q565 HydrophobicContact CE1-CG 4.2Å; F563-Q565 HydrophobicContact CZ-CB 4.32Å; F563-Q565 HydrophobicContact CZ-CG 4.45Å; F563-Q565 PolarHBondContact O-N 2.87Å; Q565-Q567 VanDerWaalsContact C-N 3.34Å; Q565-Q567 PolarHBondContact O-N 3.36Å
566	S	43.3	Very low	65.7	Low	119 Å²	119	76.1 Å²	76.1	83%	0.832	46%	0.46	S	S	*	.			trans	-67	85.4	-168.3	-168.1	0	0	0	0	113.4	S564	S564-S566 PolarHBondContact O-N 2.77Å
567	Q	39.8	Very low	64.3	Low	131 Å²	131	78.2 Å²	78.2	61%	0.612	47%	0.471	S	S	*	.			trans	-117.4	108.7	161.3	-72.3	-146.1	85.5	0	0	109	Q565 G569	Q565-Q567 VanDerWaalsContact C-N 3.34Å; Q565-Q567 PolarHBondContact O-N 3.36Å; Q567-G569 PolarHBondContact O-N 3.01Å
568	A	38.8	Very low	63.4	Low	110 Å²	110	83 Å²	83	91%	0.909	49%	0.494	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.8	102.6	176.6	0	0	0	0	0	110.6
569	G	42.5	Very low	62.9	Low	68 Å²	68	81.2 Å²	81.2	70%	0.701	49%	0.488	S	S	*	.	T	Hydrogen-bonded Turn	trans	160.9	-32	172.9	0	0	0	0	0	115.9	Q567	Q567-G569 PolarHBondContact O-N 3.01Å
570	D	43	Very low	62.6	Low	141 Å²	141	82.1 Å²	82.1	75%	0.754	49%	0.49	S	S	*	.	P	Polyproline II helix	trans	-79.8	137.7	-176.9	-74.4	-36.8	0	0	0	112.3
571	T	45.3	Very low	62.3	Low	128 Å²	128	87 Å²	87	79%	0.785	51%	0.511	S	S	*	.	P	Polyproline II helix	trans	-63.5	134.4	179.6	-11.5	0	0	0	0	110.2	M573	T571-M573 PolarHBondContact O-N 3.24Å
572	P	47.1	Very low	62.2	Low	105 Å²	105	91 Å²	91	68%	0.682	53%	0.526	S	S	*	.	P	Polyproline II helix	trans	-58.2	126.4	171.1	24.8	-33.6	0	0	0	109.4	A574	P572-A574 PolarHBondContact O-N 2.75Å
573	M	55.1	Low	62.4	Low	124 Å²	124	90.9 Å²	90.9	61%	0.611	53%	0.526	S	S	*	.	P	Polyproline II helix	trans	-59.9	132.8	173.7	-66.9	177	66.8	0	0	108.7	T571 V575 H576 D577	T571-M573 PolarHBondContact O-N 3.24Å; M573-V575 PolarHBondContact O-N 2.76Å; M573-H576 WeakPolarHBondContact O-CA 3.5Å; M573-H576 WeakPolarHBondContact O-CB 3.38Å; M573-H576 PolarHBondContact O-N 3.38Å; M573-D577 PolarHBondContact O-N 3.43Å
574	A	52.6	Low	63	Low	75 Å²	75	90.7 Å²	90.7	62%	0.62	53%	0.529	S	S	*	.	H	α-helix	trans	-55.5	-27.3	-176.7	0	0	0	0	0	113.7	P572 H576 D577 E578	P572-A574 PolarHBondContact O-N 2.75Å; A574-H576 VanDerWaalsContact C-N 3.31Å; A574-H576 PolarHBondContact O-N 3.19Å; A574-D577 WeakPolarHBondContact O-CB 3.2Å; A574-D577 PolarHBondContact O-N 3.46Å; A574-E578 PolarHBondContact O-N 3.41Å
575	V	54.4	Low	64	Low	88 Å²	88	89 Å²	89	53%	0.533	51%	0.51	S	S	.	.	H	α-helix	trans	-63.7	-33.3	173.4	-173.9	0	0	0	0	112.5	T559 M573 S579	T559-V575 HydrophobicContact CG2-CG1 4.26Å; M573-V575 PolarHBondContact O-N 2.76Å; V575-S579 WeakPolarHBondContact O-CB 3.5Å; V575-S579 PolarHBondContact O-N 3.02Å; V575-S579 PolarHBondContact O-OG 2.88Å
576	H	61.6	Low	65.8	Low	61 Å²	61	86.1 Å²	86.1	28%	0.282	51%	0.507	S	S	.	.	H	α-helix	trans	-71.4	-35.1	173.6	-166	-39.2	0	0	0	111.1	M573 A574 S579 E580	M573-H576 WeakPolarHBondContact O-CA 3.5Å; M573-H576 WeakPolarHBondContact O-CB 3.38Å; M573-H576 PolarHBondContact O-N 3.38Å; A574-H576 VanDerWaalsContact C-N 3.31Å; A574-H576 PolarHBondContact O-N 3.19Å; H576-S579 WeakPolarHBondContact CA-OG 3.41Å; H576-S579 PolarHBondContact O-OG 3.45Å; H576-E580 IonicContact CE1-OE2 3.46Å; H576-E580 WeakPolarHBondContact O-CB 3.48Å; H576-E580 PolarHBondContact O-N 3.39Å
577	D	66.4	Low	68.2	Low	85 Å²	85	81.1 Å²	81.1	46%	0.455	47%	0.472	S	S	.	.	H	α-helix	trans	-66.7	-45.9	177.2	-170.8	38.9	0	0	0	111.2	M573 A574 K581	M573-D577 PolarHBondContact O-N 3.43Å; A574-D577 WeakPolarHBondContact O-CB 3.2Å; A574-D577 PolarHBondContact O-N 3.46Å; D577-K581 WeakPolarHBondContact O-CD 3.32Å; D577-K581 WeakPolarHBondContact O-CE 3.44Å; D577-K581 VanDerWaalsContact O-CG 3.24Å; D577-K581 WeakPolarHBondContact O-CG 3.33Å; D577-K581 PolarHBondContact O-N 3.03Å; D577-K581 VanDerWaalsContact O-N 3.17Å; D577-K581 WeakPolarHBondContact OD1-CE 3.37Å; D577-K581 IonicContact OD1-NZ 2.68Å; D577-K581 VanDerWaalsContact OD2-CE 3.3Å; D577-K581 WeakPolarHBondContact OD2-CE 3.47Å; D577-K581 IonicContact OD2-NZ 2.66Å; D577-K581 PolarHBondContact OD2-NZ 3.06Å
578	E	77.9	Confident	70.8	Confident	107 Å²	107	75 Å²	75	50%	0.5	44%	0.443	S	S	.	.	H	α-helix	trans	-68.3	-39.5	176.4	-66.6	-56.1	113.9	0	0	113.7	A574 K581 R582	A574-E578 PolarHBondContact O-N 3.41Å; E578-K581 PolarHBondContact O-N 2.93Å; E578-K581 IonicContact OE1-NZ 3.71Å; E578-K581 PolarHBondContact OE1-NZ 3.13Å; E578-R582 WeakPolarHBondContact O-CG 3.4Å; E578-R582 PolarHBondContact O-N 3.06Å; E578-R582 VanDerWaalsContact O-N 3.12Å
579	S	82.1	Confident	73.4	Confident	15 Å²	15	71.7 Å²	71.7	11%	0.105	41%	0.412	C	S	.	.	H	α-helix	trans	-72.1	-31.8	178.1	54.1	0	0	0	0	113.1	R562 V575 H576 R582 L583	R562-S579 PolarHBondContact NH2-O 3.43Å; V575-S579 WeakPolarHBondContact O-CB 3.5Å; V575-S579 PolarHBondContact O-N 3.02Å; V575-S579 PolarHBondContact O-OG 2.88Å; H576-S579 WeakPolarHBondContact CA-OG 3.41Å; H576-S579 PolarHBondContact O-OG 3.45Å; S579-R582 PolarHBondContact O-N 3.38Å; S579-L583 PolarHBondContact O-N 3.48Å
580	E	86.3	Confident	75.8	Confident	60 Å²	60	71.2 Å²	71.2	28%	0.28	39%	0.393	S	S	.	.	H	α-helix	trans	-70	-34.2	173.9	-164.8	67.7	-170	0	0	112	R562 H576 L583 K585	R562-E580 VanDerWaalsContact CD-OE2 3.27Å; R562-E580 WeakPolarHBondContact CD-OE2 3.45Å; R562-E580 IonicContact CZ-OE2 3.26Å; R562-E580 IonicContact NE-OE2 2.84Å; R562-E580 PolarHBondContact NE-OE2 3.11Å; H576-E580 IonicContact CE1-OE2 3.46Å; H576-E580 WeakPolarHBondContact O-CB 3.48Å; H576-E580 PolarHBondContact O-N 3.39Å; E580-L583 CarbonylContact O-C 3.29Å; E580-L583 VanDerWaalsContact O-C 3.29Å; E580-K585 VanDerWaalsContact OE1-CB 3.27Å; E580-K585 WeakPolarHBondContact OE1-CB 3.28Å; E580-K585 PolarHBondContact OE1-N 2.98Å; E580-K585 PolarHBondContact OE2-N 3.06Å
581	K	87.9	Confident	78.3	Confident	120 Å²	120	64.5 Å²	64.5	52%	0.522	36%	0.357	S	S	.	.	H	α-helix	trans	-65.6	-39.9	171.3	-69	163.8	-156.7	168.8	0	112.6	D577 E578	D577-K581 WeakPolarHBondContact O-CD 3.32Å; D577-K581 WeakPolarHBondContact O-CE 3.44Å; D577-K581 VanDerWaalsContact O-CG 3.24Å; D577-K581 WeakPolarHBondContact O-CG 3.33Å; D577-K581 PolarHBondContact O-N 3.03Å; D577-K581 VanDerWaalsContact O-N 3.17Å; D577-K581 WeakPolarHBondContact OD1-CE 3.37Å; D577-K581 IonicContact OD1-NZ 2.68Å; D577-K581 VanDerWaalsContact OD2-CE 3.3Å; D577-K581 WeakPolarHBondContact OD2-CE 3.47Å; D577-K581 IonicContact OD2-NZ 2.66Å; D577-K581 PolarHBondContact OD2-NZ 3.06Å; E578-K581 PolarHBondContact O-N 2.93Å; E578-K581 IonicContact OE1-NZ 3.71Å; E578-K581 PolarHBondContact OE1-NZ 3.13Å
582	R	91.6	Very high	80.7	Confident	87 Å²	87	58.4 Å²	58.4	33%	0.328	32%	0.319	S	S	.	.	H	α-helix	trans	-74.5	-33.7	179.5	-71.3	172.7	66.4	-169.6	1.6	112.9	S529 L533 E536 E578 S579	S529-R582 VanDerWaalsContact CB-O 3.25Å; S529-R582 WeakPolarHBondContact CB-O 3.43Å; S529-R582 PolarHBondContact OG-O 2.83Å; L533-R582 HydrophobicContact CD1-CB 4.2Å; E536-R582 VanDerWaalsContact CD-NH1 3.35Å; E536-R582 IonicContact OE1-CZ 3.29Å; E536-R582 IonicContact OE1-NH1 3.55Å; E536-R582 PolarHBondContact OE1-NH1 2.63Å; E536-R582 VanDerWaalsContact OE1-NH1 3.08Å; E536-R582 IonicContact OE1-NH2 2.74Å; E536-R582 PolarHBondContact OE1-NH2 3.29Å; E536-R582 IonicContact OE2-CZ 2.66Å; E536-R582 IonicContact OE2-NH1 3.56Å; E536-R582 PolarHBondContact OE2-NH1 3.2Å; E536-R582 IonicContact OE2-NH2 2.69Å; E578-R582 WeakPolarHBondContact O-CG 3.4Å; E578-R582 PolarHBondContact O-N 3.06Å; E578-R582 VanDerWaalsContact O-N 3.12Å; S579-R582 PolarHBondContact O-N 3.38Å
583	L	92.8	Very high	82.9	Confident	1 Å²	1	60.2 Å²	60.2	1%	0.005	32%	0.316	C	S	.	.	S	Bend	trans	-151.4	110.2	175	-178.9	65.6	0	0	0	109.8	H526 F530 L533 R562 S579 E580 C587 L588 L591	H526-L583 HydrophobicContact CB-CD1 3.99Å; F530-L583 HydrophobicContact CB-CD2 3.93Å; F530-L583 HydrophobicContact CD2-CD2 4.02Å; F530-L583 HydrophobicContact CG-CD2 4.5Å; L533-L583 HydrophobicContact CD1-CB 3.72Å; L533-L583 HydrophobicContact CD1-CD2 4.37Å; R562-L583 PolarHBondContact NH2-O 3Å; S579-L583 PolarHBondContact O-N 3.48Å; E580-L583 CarbonylContact O-C 3.29Å; E580-L583 VanDerWaalsContact O-C 3.29Å; L583-C587 HydrophobicContact CD1-CB 3.72Å; L583-L588 HydrophobicContact CD2-CB 4.13Å; L583-L588 HydrophobicContact CD2-CD1 4.05Å; L583-L588 HydrophobicContact CG-CB 4.41Å; L583-L591 HydrophobicContact CD1-CD1 4.03Å; L583-L591 HydrophobicContact CD2-CD1 4.35Å
584	P	92.1	Very high	84.7	Confident	44 Å²	44	55.3 Å²	55.3	29%	0.286	29%	0.291	S	S	.	.			trans	-61.1	145.2	176.4	-25.4	35.2	0	0	0	112.2	S586 C587 L588	P584-S586 PolarHBondContact O-N 3.47Å; P584-C587 WeakPolarHBondContact O-CA 3.31Å; P584-C587 WeakPolarHBondContact O-CB 3.49Å; P584-C587 PolarHBondContact O-N 3.25Å; P584-L588 PolarHBondContact O-N 2.95Å
585	K	90.3	Very high	86.7	Confident	52 Å²	52	55.2 Å²	55.2	23%	0.226	28%	0.278	C	S	.	.	H	α-helix	trans	-59.8	-31.5	-178.4	-170.5	170.4	-178.4	173.6	0	113.2	R562 E580 L588 V589	R562-K585 HydrophobicContact CB-CD 3.87Å; R562-K585 HydrophobicContact CB-CG 4.49Å; R562-K585 PolarHBondContact O-NZ 3.46Å; E580-K585 VanDerWaalsContact OE1-CB 3.27Å; E580-K585 WeakPolarHBondContact OE1-CB 3.28Å; E580-K585 PolarHBondContact OE1-N 2.98Å; E580-K585 PolarHBondContact OE2-N 3.06Å; K585-L588 PolarHBondContact O-N 3.11Å; K585-V589 WeakPolarHBondContact O-CB 3.26Å; K585-V589 WeakPolarHBondContact O-CG2 3.39Å; K585-V589 PolarHBondContact O-N 3.25Å
586	S	90.8	Very high	88.6	Confident	88 Å²	88	51.2 Å²	51.2	62%	0.615	25%	0.254	S	S	*	.	H	α-helix	trans	-60.5	-46.2	171.9	49.1	0	0	0	0	111.9	P584 V589 L590	P584-S586 PolarHBondContact O-N 3.47Å; S586-V589 PolarHBondContact O-N 2.88Å; S586-L590 WeakPolarHBondContact O-CB 3.31Å; S586-L590 PolarHBondContact O-N 3.48Å
587	C	93.6	Very high	90.2	Very high	14 Å²	14	48.3 Å²	48.3	10%	0.095	24%	0.24	C	C	.	.	H	α-helix	trans	-66.6	-42.9	177.8	-61.9	0	0	0	0	110.9	I522 L583 P584 V589 L590 L591	I522-C587 HydrophobicContact CD1-CB 3.94Å; L583-C587 HydrophobicContact CD1-CB 3.72Å; P584-C587 WeakPolarHBondContact O-CA 3.31Å; P584-C587 WeakPolarHBondContact O-CB 3.49Å; P584-C587 PolarHBondContact O-N 3.25Å; C587-V589 PolarHBondContact O-N 3.19Å; C587-L590 PolarHBondContact O-N 2.94Å; C587-L591 WeakPolarHBondContact O-CB 3.46Å; C587-L591 VanDerWaalsContact O-CG 3.26Å; C587-L591 WeakPolarHBondContact O-CG 3.48Å; C587-L591 PolarHBondContact O-N 3.26Å
588	L	94	Very high	91.6	Very high	1 Å²	1	44.7 Å²	44.7	1%	0.005	22%	0.221	C	C	.	.	H	α-helix	trans	-54.8	-50.7	172.7	177.2	69	0	0	0	111.8	F530 W561 L583 P584 K585 L590 L591 C592	F530-L588 HydrophobicContact CD2-CD1 3.73Å; F530-L588 HydrophobicContact CE2-CD1 3.67Å; W561-L588 HydrophobicContact CE3-CD2 4.47Å; W561-L588 HydrophobicContact CZ3-CD1 4.35Å; L583-L588 HydrophobicContact CD2-CB 4.13Å; L583-L588 HydrophobicContact CD2-CD1 4.05Å; L583-L588 HydrophobicContact CG-CB 4.41Å; P584-L588 PolarHBondContact O-N 2.95Å; K585-L588 PolarHBondContact O-N 3.11Å; L588-L590 VanDerWaalsContact C-N 3.29Å; L588-L590 PolarHBondContact O-N 3.09Å; L588-L591 PolarHBondContact O-N 3.14Å; L588-C592 WeakPolarHBondContact O-CB 3.37Å; L588-C592 PolarHBondContact O-N 3.14Å; L588-C592 PolarHBondContact O-SG 2.87Å
589	V	93.3	Very high	92.3	Very high	42 Å²	42	43.6 Å²	43.6	26%	0.255	21%	0.212	S	C	.	.	H	α-helix	trans	-64.9	-32.2	-178.8	166.9	0	0	0	0	112.1	K585 S586 C587 I650 P651	K585-V589 WeakPolarHBondContact O-CB 3.26Å; K585-V589 WeakPolarHBondContact O-CG2 3.39Å; K585-V589 PolarHBondContact O-N 3.25Å; S586-V589 PolarHBondContact O-N 2.88Å; C587-V589 PolarHBondContact O-N 3.19Å; V589-I650 HydrophobicContact CG2-CD1 4.37Å; V589-P651 HydrophobicContact CG1-CG 4.19Å; V589-P651 WeakPolarHBondContact O-CG 3.28Å
590	L	93.9	Very high	93	Very high	58 Å²	58	43.5 Å²	43.5	30%	0.304	21%	0.21	S	C	.	.	H	α-helix	trans	-75.7	-41.9	175.9	-176.7	55.5	0	0	0	112.4	P519 E520 I522 S586 C587 L588 C592 K593	P519-L590 HydrophobicContact CB-CD1 4.07Å; P519-L590 HydrophobicContact CB-CD2 4.01Å; P519-L590 HydrophobicContact CB-CG 3.91Å; E520-L590 VanDerWaalsContact O-CD2 3.25Å; E520-L590 WeakPolarHBondContact O-CD2 3.44Å; I522-L590 HydrophobicContact CD1-CB 4.26Å; I522-L590 HydrophobicContact CD1-CD2 4.05Å; I522-L590 HydrophobicContact CD1-CG 4.24Å; I522-L590 HydrophobicContact CG1-CD2 3.79Å; I522-L590 HydrophobicContact CG1-CG 4Å; S586-L590 WeakPolarHBondContact O-CB 3.31Å; S586-L590 PolarHBondContact O-N 3.48Å; C587-L590 PolarHBondContact O-N 2.94Å; L588-L590 VanDerWaalsContact C-N 3.29Å; L588-L590 PolarHBondContact O-N 3.09Å; L590-C592 PolarHBondContact O-N 2.99Å; L590-K593 PolarHBondContact O-N 3.24Å
591	L	94.6	Very high	93.5	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-59	-35.7	170.9	-70.9	170.5	0	0	0	111.6	I522 I527 F530 L583 C587 L588 K593 Y594 V597	I522-L591 HydrophobicContact CD1-CD2 4.13Å; I522-L591 HydrophobicContact CD1-CG 3.92Å; I522-L591 HydrophobicContact CG1-CD2 4.25Å; I522-L591 HydrophobicContact CG2-CD2 3.75Å; I527-L591 HydrophobicContact CG1-CD2 3.85Å; F530-L591 HydrophobicContact CB-CD1 3.86Å; F530-L591 HydrophobicContact CD2-CD1 4.44Å; F530-L591 HydrophobicContact CG-CD1 4.25Å; L583-L591 HydrophobicContact CD1-CD1 4.03Å; L583-L591 HydrophobicContact CD2-CD1 4.35Å; C587-L591 WeakPolarHBondContact O-CB 3.46Å; C587-L591 VanDerWaalsContact O-CG 3.26Å; C587-L591 WeakPolarHBondContact O-CG 3.48Å; C587-L591 PolarHBondContact O-N 3.26Å; L588-L591 PolarHBondContact O-N 3.14Å; L591-K593 PolarHBondContact O-N 3.25Å; L591-Y594 WeakPolarHBondContact O-CB 3.33Å; L591-Y594 PolarHBondContact O-N 3.46Å; L591-V597 HydrophobicContact CB-CG1 4.35Å; L591-V597 HydrophobicContact CB-CG2 4.43Å; L591-V597 HydrophobicContact CD2-CG2 4.13Å; L591-V597 WeakPolarHBondContact O-CB 3.1Å; L591-V597 WeakPolarHBondContact O-CG1 3.35Å
592	C	95.4	Very high	93.9	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.3	0.8	174.4	-65.6	0	0	0	0	114.8	L588 L590 I650 P651 M654	L588-C592 WeakPolarHBondContact O-CB 3.37Å; L588-C592 PolarHBondContact O-N 3.14Å; L588-C592 PolarHBondContact O-SG 2.87Å; L590-C592 PolarHBondContact O-N 2.99Å; C592-I650 HydrophobicContact CB-CG2 4.13Å; C592-P651 HydrophobicContact CB-CG 3.86Å; C592-M654 HydrophobicContact CB-CB 3.95Å; C592-M654 HydrophobicContact CB-CE 4.15Å; C592-M654 HydrophobicContact CB-CG 4.02Å
593	K	93.7	Very high	94	Very high	142 Å²	142	38.7 Å²	38.7	62%	0.617	19%	0.19	S	C	*	.	T	Hydrogen-bonded Turn	trans	-109.4	-3.5	167.9	-57.4	-175.2	-179.2	-175	0	112.9	L590 L591 P651	L590-K593 PolarHBondContact O-N 3.24Å; L591-K593 PolarHBondContact O-N 3.25Å; K593-P651 HydrophobicContact CD-CG 4.42Å; K593-P651 HydrophobicContact CG-CB 3.95Å; K593-P651 HydrophobicContact CG-CG 3.64Å
594	Y	94.2	Very high	94.2	Very high	21 Å²	21	38.6 Å²	38.6	8%	0.082	19%	0.19	C	C	.	.			trans	-92.2	118.9	-172.8	-171.5	-125.1	0	0	0	110.2	L513 K516 S517 P519 I527 L591 P596 V597 L598	L513-Y594 HydrophobicContact CD2-CE1 3.8Å; K516-Y594 PolarHBondContact O-OH 2.78Å; S517-Y594 WeakPolarHBondContact O-CE2 3.45Å; S517-Y594 PolarHBondContact O-OH 3Å; S517-Y594 VanDerWaalsContact O-OH 3.1Å; P519-Y594 HydrophobicContact CG-CD2 3.58Å; P519-Y594 HydrophobicContact CG-CE2 4.12Å; P519-Y594 HydrophobicContact CG-CG 3.92Å; I527-Y594 HydrophobicContact CD1-CE1 4.45Å; L591-Y594 WeakPolarHBondContact O-CB 3.33Å; L591-Y594 PolarHBondContact O-N 3.46Å; Y594-P596 HydrophobicContact CD1-CB 4.13Å; Y594-P596 HydrophobicContact CD1-CG 4.09Å; Y594-P596 HydrophobicContact CE1-CB 3.86Å; Y594-P596 HydrophobicContact CE1-CG 3.59Å; Y594-P596 HydrophobicContact CE2-CG 4.41Å; Y594-V597 HydrophobicContact CD1-CG2 3.95Å; Y594-V597 WeakPolarHBondContact O-CA 3.2Å; Y594-V597 WeakPolarHBondContact O-CB 3.35Å; Y594-V597 PolarHBondContact O-N 3.47Å; Y594-L598 PolarHBondContact O-N 3.48Å
595	E	93.7	Very high	94.4	Very high	73 Å²	73	36.7 Å²	36.7	34%	0.341	18%	0.177	S	C	.	.	H	α-helix	trans	-53.6	-43.6	-170.1	172.8	62	-175.6	0	0	114.9	V597 L598 R599	E595-V597 VanDerWaalsContact C-N 3.33Å; E595-V597 PolarHBondContact O-N 2.97Å; E595-L598 PolarHBondContact O-N 3.33Å; E595-R599 PolarHBondContact O-N 3.11Å; E595-R599 VanDerWaalsContact O-N 3.13Å; E595-R599 IonicContact OE1-CZ 3.9Å; E595-R599 IonicContact OE1-NE 2.79Å; E595-R599 PolarHBondContact OE1-NE 3.27Å; E595-R599 IonicContact OE1-NH2 3.85Å; E595-R599 PolarHBondContact OE1-NH2 3.39Å
596	P	94.5	Very high	94.7	Very high	4 Å²	4	34.7 Å²	34.7	3%	0.026	17%	0.169	C	C	.	.	H	α-helix	trans	-55.7	-41.8	170.4	-31.5	39.6	0	0	0	114.7	I511 D512 K516 Y594 W600	I511-P596 HydrophobicContact CG2-CB 3.7Å; D512-P596 WeakPolarHBondContact O-CB 3.46Å; K516-P596 HydrophobicContact CD-CG 4.35Å; Y594-P596 HydrophobicContact CD1-CB 4.13Å; Y594-P596 HydrophobicContact CD1-CG 4.09Å; Y594-P596 HydrophobicContact CE1-CB 3.86Å; Y594-P596 HydrophobicContact CE1-CG 3.59Å; Y594-P596 HydrophobicContact CE2-CG 4.41Å; P596-W600 VanDerWaalsContact O-CB 3.23Å; P596-W600 WeakPolarHBondContact O-CB 3.45Å; P596-W600 PolarHBondContact O-N 2.88Å
597	V	95.6	Very high	94.9	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-70.7	-35.4	179.5	167.8	0	0	0	0	111.3	I511 F530 L591 Y594 E595 S601 M654	I511-V597 HydrophobicContact CD1-CG2 4.03Å; F530-V597 HydrophobicContact CD1-CG1 4.2Å; F530-V597 HydrophobicContact CE1-CG1 3.59Å; F530-V597 HydrophobicContact CZ-CG1 3.79Å; L591-V597 HydrophobicContact CB-CG1 4.35Å; L591-V597 HydrophobicContact CB-CG2 4.43Å; L591-V597 HydrophobicContact CD2-CG2 4.13Å; L591-V597 WeakPolarHBondContact O-CB 3.1Å; L591-V597 WeakPolarHBondContact O-CG1 3.35Å; Y594-V597 HydrophobicContact CD1-CG2 3.95Å; Y594-V597 WeakPolarHBondContact O-CA 3.2Å; Y594-V597 WeakPolarHBondContact O-CB 3.35Å; Y594-V597 PolarHBondContact O-N 3.47Å; E595-V597 VanDerWaalsContact C-N 3.33Å; E595-V597 PolarHBondContact O-N 2.97Å; V597-S601 VanDerWaalsContact O-CB 3.24Å; V597-S601 WeakPolarHBondContact O-CB 3.23Å; V597-S601 PolarHBondContact O-N 2.71Å; V597-S601 PolarHBondContact O-OG 2.97Å; V597-M654 HydrophobicContact CG1-CE 4.05Å
598	L	95.1	Very high	95.1	Very high	10 Å²	10	31.5 Å²	31.5	5%	0.052	15%	0.147	C	C	.	.	H	α-helix	trans	-61.3	-55.4	175.2	-75.4	164.3	0	0	0	110.8	Y594 E595 W600 S601 R602 E653 M654 I657	Y594-L598 PolarHBondContact O-N 3.48Å; E595-L598 PolarHBondContact O-N 3.33Å; L598-W600 PolarHBondContact O-N 2.86Å; L598-S601 PolarHBondContact O-N 2.74Å; L598-R602 PolarHBondContact O-N 3.47Å; L598-E653 HydrophobicContact CD1-CG 3.73Å; L598-E653 HydrophobicContact CD2-CG 4.02Å; L598-M654 HydrophobicContact CD2-CB 3.82Å; L598-M654 HydrophobicContact CD2-CE 3.8Å; L598-M654 HydrophobicContact CD2-SD 4.22Å; L598-M654 HydrophobicContact CG-CE 4.44Å; L598-I657 HydrophobicContact CB-CD1 4Å; L598-I657 HydrophobicContact CD2-CD1 3.62Å; L598-I657 HydrophobicContact CD2-CG1 4.38Å; L598-I657 HydrophobicContact CG-CD1 4.45Å; L598-I657 WeakPolarHBondContact O-CD1 3.42Å
599	R	93.8	Very high	95.3	Very high	84 Å²	84	31.6 Å²	31.6	32%	0.317	15%	0.147	S	C	.	.	H	α-helix	trans	-56.2	-52.6	176.7	-62.5	173.5	-164.9	179.8	-3.9	111.8	H514 E595 S601 R602 D603	H514-R599 PolarHBondContact CD2-NH1 3.32Å; H514-R599 VanDerWaalsContact CD2-NH1 3.33Å; H514-R599 PolarHBondContact NE2-NH1 3.06Å; E595-R599 PolarHBondContact O-N 3.11Å; E595-R599 VanDerWaalsContact O-N 3.13Å; E595-R599 IonicContact OE1-CZ 3.9Å; E595-R599 IonicContact OE1-NE 2.79Å; E595-R599 PolarHBondContact OE1-NE 3.27Å; E595-R599 IonicContact OE1-NH2 3.85Å; E595-R599 PolarHBondContact OE1-NH2 3.39Å; R599-S601 VanDerWaalsContact C-N 3.28Å; R599-S601 PolarHBondContact O-N 2.88Å; R599-R602 WeakPolarHBondContact O-CB 3.43Å; R599-R602 PolarHBondContact O-N 3.27Å; R599-R602 VanDerWaalsContact O-N 3.08Å; R599-D603 PolarHBondContact O-N 2.95Å
600	W	96.1	Very high	95.4	Very high	13 Å²	13	30.2 Å²	30.2	5%	0.049	14%	0.138	C	C	.	.	H	α-helix	trans	-57.5	-40.9	-179.1	-177.9	91.1	0	0	0	112.4	F508 P509 I511 F530 Q531 Y534 P596 L598 D603 C604	F508-W600 HydrophobicContact CB-CZ2 4.23Å; F508-W600 HydrophobicContact CD2-CH2 4.37Å; F508-W600 HydrophobicContact CD2-CZ2 4.24Å; P509-W600 PolarHBondContact O-NE1 2.72Å; I511-W600 HydrophobicContact CD1-CD2 3.96Å; I511-W600 HydrophobicContact CD1-CE3 4.15Å; I511-W600 HydrophobicContact CD1-CG 4.15Å; I511-W600 HydrophobicContact CG1-CB 3.85Å; I511-W600 VanDerWaalsContact CG1-CD1 3.49Å; I511-W600 HydrophobicContact CG1-CD2 3.61Å; I511-W600 HydrophobicContact CG1-CE3 4.31Å; I511-W600 HydrophobicContact CG1-CG 3.37Å; F530-W600 HydrophobicContact CD1-CE3 4.47Å; F530-W600 HydrophobicContact CD1-CZ3 4.11Å; F530-W600 AromaticContact CE1-CE3 3.85Å; F530-W600 HydrophobicContact CE1-CE3 3.85Å; F530-W600 AromaticContact CE1-CZ3 3.63Å; F530-W600 HydrophobicContact CE1-CZ3 3.63Å; Q531-W600 HydrophobicContact CB-CH2 4.1Å; Q531-W600 HydrophobicContact CB-CZ2 4.07Å; Q531-W600 HydrophobicContact CG-CH2 4.11Å; Q531-W600 HydrophobicContact CG-CZ2 3.86Å; Y534-W600 AromaticContact CD1-CH2 3.87Å; Y534-W600 HydrophobicContact CD1-CH2 3.87Å; Y534-W600 AromaticContact CD1-CZ3 3.72Å; Y534-W600 HydrophobicContact CD1-CZ3 3.72Å; Y534-W600 AromaticContact CD2-CZ3 3.95Å; Y534-W600 HydrophobicContact CD2-CZ3 3.95Å; Y534-W600 HydrophobicContact CE1-CZ3 4.16Å; Y534-W600 HydrophobicContact CE2-CZ3 4.34Å; Y534-W600 AromaticContact CG-CH2 3.96Å; Y534-W600 HydrophobicContact CG-CH2 3.96Å; Y534-W600 AromaticContact CG-CZ3 3.6Å; Y534-W600 HydrophobicContact CG-CZ3 3.6Å; P596-W600 VanDerWaalsContact O-CB 3.23Å; P596-W600 WeakPolarHBondContact O-CB 3.45Å; P596-W600 PolarHBondContact O-N 2.88Å; L598-W600 PolarHBondContact O-N 2.86Å; W600-D603 PolarHBondContact O-N 3.44Å; W600-C604 VanDerWaalsContact CZ2-SG 3.56Å; W600-C604 WeakPolarHBondContact O-CB 3.33Å; W600-C604 PolarHBondContact O-N 2.95Å; W600-C604 PolarHBondContact O-SG 3.13Å
601	S	96.7	Very high	95.6	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-65.4	-41.7	176.8	-59.5	0	0	0	0	112.2	Y534 V597 L598 R599 D603 D605	Y534-S601 WeakPolarHBondContact OH-CA 3.37Å; Y534-S601 PolarHBondContact OH-O 3.48Å; V597-S601 VanDerWaalsContact O-CB 3.24Å; V597-S601 WeakPolarHBondContact O-CB 3.23Å; V597-S601 PolarHBondContact O-N 2.71Å; V597-S601 PolarHBondContact O-OG 2.97Å; L598-S601 PolarHBondContact O-N 2.74Å; R599-S601 VanDerWaalsContact C-N 3.28Å; R599-S601 PolarHBondContact O-N 2.88Å; S601-D603 VanDerWaalsContact C-N 3.32Å; S601-D603 PolarHBondContact O-N 3.42Å; S601-D605 WeakPolarHBondContact O-CB 3.36Å; S601-D605 PolarHBondContact O-N 3.46Å
602	R	95.6	Very high	95.7	Very high	104 Å²	104	28 Å²	28	39%	0.392	13%	0.127	S	C	.	.	H	α-helix	trans	-59.5	-44.4	173.6	177.7	-159.7	68.4	-173.9	-3.8	111	L598 R599 D605 N606 I657	L598-R602 PolarHBondContact O-N 3.47Å; R599-R602 WeakPolarHBondContact O-CB 3.43Å; R599-R602 PolarHBondContact O-N 3.27Å; R599-R602 VanDerWaalsContact O-N 3.08Å; R602-D605 WeakPolarHBondContact O-CB 3.25Å; R602-D605 PolarHBondContact O-N 3.1Å; R602-N606 WeakPolarHBondContact O-CB 3.47Å; R602-N606 PolarHBondContact O-N 2.99Å; R602-N606 PolarHBondContact O-ND2 3.43Å; R602-I657 HydrophobicContact CB-CD1 4.28Å
603	D	94.3	Very high	95.7	Very high	61 Å²	61	28.1 Å²	28.1	33%	0.326	13%	0.128	S	C	.	.	H	α-helix	trans	-74.2	-38.3	-173.6	-60.8	-23.5	0	0	0	111.2	R599 W600 S601 N606 S607	R599-D603 PolarHBondContact O-N 2.95Å; W600-D603 PolarHBondContact O-N 3.44Å; S601-D603 VanDerWaalsContact C-N 3.32Å; S601-D603 PolarHBondContact O-N 3.42Å; D603-N606 PolarHBondContact O-N 3.01Å; D603-S607 PolarHBondContact O-N 2.83Å; D603-S607 PolarHBondContact O-OG 3.36Å; D603-S607 VanDerWaalsContact O-OG 3.12Å
604	C	96.5	Very high	95.8	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-64.1	-39.8	169.3	-65.2	0	0	0	0	112.8	F508 Y534 W600 S607 L608	F508-C604 HydrophobicContact CD1-CB 4.21Å; F508-C604 HydrophobicContact CD2-CB 3.97Å; F508-C604 VanDerWaalsContact CD2-SG 3.56Å; F508-C604 HydrophobicContact CE1-CB 4Å; F508-C604 HydrophobicContact CE2-CB 3.76Å; F508-C604 HydrophobicContact CG-CB 4.19Å; F508-C604 WeakPolarHBondContact CG-SG 3.5Å; F508-C604 HydrophobicContact CZ-CB 3.75Å; Y534-C604 HydrophobicContact CD1-CB 4.37Å; Y534-C604 HydrophobicContact CE1-CB 3.66Å; W600-C604 VanDerWaalsContact CZ2-SG 3.56Å; W600-C604 WeakPolarHBondContact O-CB 3.33Å; W600-C604 PolarHBondContact O-N 2.95Å; W600-C604 PolarHBondContact O-SG 3.13Å; C604-S607 PolarHBondContact O-N 2.98Å; C604-L608 WeakPolarHBondContact O-CB 3.5Å; C604-L608 PolarHBondContact O-N 3.5Å
605	D	97.1	Very high	95.8	Very high	4 Å²	4	23.1 Å²	23.1	2%	0.021	11%	0.107	C	C	.	.	H	α-helix	trans	-61.7	-45.8	173	-92.7	20	0	0	0	111.1	Y534 S601 R602 S607 L608 Y609 K658	Y534-D605 PolarHBondContact OH-OD1 3.47Å; S601-D605 WeakPolarHBondContact O-CB 3.36Å; S601-D605 PolarHBondContact O-N 3.46Å; R602-D605 WeakPolarHBondContact O-CB 3.25Å; R602-D605 PolarHBondContact O-N 3.1Å; D605-S607 VanDerWaalsContact C-N 3.29Å; D605-S607 PolarHBondContact O-N 3.4Å; D605-L608 PolarHBondContact O-N 3.25Å; D605-Y609 HydrophobicContact CB-CD2 4.11Å; D605-Y609 HydrophobicContact CB-CE2 3.66Å; D605-Y609 WeakPolarHBondContact O-CB 3.38Å; D605-Y609 WeakPolarHBondContact O-CD2 3.23Å; D605-Y609 PolarHBondContact O-N 3.46Å; D605-Y609 PolarHBondContact OD2-OH 2.78Å; D605-K658 IonicContact OD1-NZ 2.64Å; D605-K658 PolarHBondContact OD1-NZ 2.84Å; D605-K658 IonicContact OD2-NZ 2.62Å; D605-K658 PolarHBondContact OD2-NZ 3.49Å
606	N	96	Very high	95.9	Very high	10 Å²	10	19.7 Å²	19.7	5%	0.053	9%	0.091	C	C	.	.	H	α-helix	trans	-62	-35.8	177.9	-69.9	-20.5	0	0	0	112.3	R602 D603 Q610 S661 T822 A825	R602-N606 WeakPolarHBondContact O-CB 3.47Å; R602-N606 PolarHBondContact O-N 2.99Å; R602-N606 PolarHBondContact O-ND2 3.43Å; D603-N606 PolarHBondContact O-N 3.01Å; N606-Q610 VanDerWaalsContact O-CB 3.3Å; N606-Q610 WeakPolarHBondContact O-CB 3.3Å; N606-Q610 PolarHBondContact O-N 2.93Å; N606-Q610 VanDerWaalsContact O-N 3.12Å; N606-S661 WeakPolarHBondContact OD1-CB 3.42Å; N606-S661 PolarHBondContact OD1-OG 3.32Å; N606-T822 PolarHBondContact O-OG1 3.32Å; N606-A825 HydrophobicContact CB-CB 4.18Å
607	S	95.9	Very high	96	Very high	33 Å²	33	19.9 Å²	19.9	23%	0.231	9%	0.092	C	C	.	.	H	α-helix	trans	-72.2	-42.9	174.2	-62.6	0	0	0	0	113.1	D603 C604 D605 S611	D603-S607 PolarHBondContact O-N 2.83Å; D603-S607 PolarHBondContact O-OG 3.36Å; D603-S607 VanDerWaalsContact O-OG 3.12Å; C604-S607 PolarHBondContact O-N 2.98Å; D605-S607 VanDerWaalsContact C-N 3.29Å; D605-S607 PolarHBondContact O-N 3.4Å; S607-S611 PolarHBondContact O-N 3.03Å; S607-S611 VanDerWaalsContact O-N 3.12Å; S607-S611 PolarHBondContact O-OG 3.27Å
608	L	97.2	Very high	95.9	Very high	1 Å²	1	22 Å²	22	1%	0.005	11%	0.106	C	C	.	.	H	α-helix	trans	-60.5	-53	173.6	171.3	64.1	0	0	0	110.6	L505 C538 I541 C604 D605 Q610 S611 L612	L505-L608 HydrophobicContact CD1-CB 4.24Å; L505-L608 HydrophobicContact CD1-CD1 3.73Å; C538-L608 HydrophobicContact CB-CD1 4.28Å; C538-L608 HydrophobicContact CB-CD2 4.12Å; I541-L608 HydrophobicContact CB-CD2 4.46Å; I541-L608 HydrophobicContact CD1-CD2 4.21Å; I541-L608 HydrophobicContact CG2-CD1 4.44Å; I541-L608 HydrophobicContact CG2-CD2 4.25Å; C604-L608 WeakPolarHBondContact O-CB 3.5Å; C604-L608 PolarHBondContact O-N 3.5Å; D605-L608 PolarHBondContact O-N 3.25Å; L608-Q610 VanDerWaalsContact C-N 3.34Å; L608-Q610 PolarHBondContact O-N 3.37Å; L608-S611 WeakPolarHBondContact O-CB 3.44Å; L608-S611 PolarHBondContact O-N 3.21Å; L608-S611 VanDerWaalsContact O-N 3.15Å; L608-L612 HydrophobicContact CD1-CD1 3.94Å; L608-L612 HydrophobicContact CD1-CG 4.07Å; L608-L612 HydrophobicContact CG-CD1 3.94Å; L608-L612 HydrophobicContact CG-CG 4.41Å; L608-L612 WeakPolarHBondContact O-CG 3.43Å; L608-L612 PolarHBondContact O-N 2.97Å
609	Y	97.6	Very high	95.8	Very high	3 Å²	3	24.6 Å²	24.6	1%	0.012	12%	0.12	C	C	.	.	H	α-helix	trans	-64.6	-36.1	-176.7	-65.2	-36.1	0	0	0	112.5	D605 L612 V613 A662 F665	D605-Y609 HydrophobicContact CB-CD2 4.11Å; D605-Y609 HydrophobicContact CB-CE2 3.66Å; D605-Y609 WeakPolarHBondContact O-CB 3.38Å; D605-Y609 WeakPolarHBondContact O-CD2 3.23Å; D605-Y609 PolarHBondContact O-N 3.46Å; D605-Y609 PolarHBondContact OD2-OH 2.78Å; Y609-L612 HydrophobicContact CD1-CD1 4.27Å; Y609-L612 PolarHBondContact O-N 3.24Å; Y609-V613 WeakPolarHBondContact O-CG2 3.49Å; Y609-V613 PolarHBondContact O-N 3.07Å; Y609-A662 HydrophobicContact CE2-CB 4.28Å; Y609-F665 HydrophobicContact CD1-CB 4.09Å; Y609-F665 AromaticContact CD1-CD1 3.36Å; Y609-F665 HydrophobicContact CD1-CD1 3.36Å; Y609-F665 HydrophobicContact CD1-CD2 4.2Å; Y609-F665 AromaticContact CD1-CE1 3.71Å; Y609-F665 HydrophobicContact CD1-CE1 3.71Å; Y609-F665 HydrophobicContact CD1-CE2 4.48Å; Y609-F665 AromaticContact CD1-CG 3.63Å; Y609-F665 HydrophobicContact CD1-CG 3.63Å; Y609-F665 HydrophobicContact CD1-CZ 4.26Å; Y609-F665 HydrophobicContact CD2-CB 3.99Å; Y609-F665 HydrophobicContact CD2-CG 4.43Å; Y609-F665 AromaticContact CE1-CD1 3.82Å; Y609-F665 HydrophobicContact CE1-CD1 3.82Å; Y609-F665 HydrophobicContact CE1-CE1 4.17Å; Y609-F665 HydrophobicContact CE1-CG 4.44Å; Y609-F665 HydrophobicContact CG-CB 3.68Å; Y609-F665 AromaticContact CG-CD1 3.88Å; Y609-F665 HydrophobicContact CG-CD1 3.88Å; Y609-F665 HydrophobicContact CG-CD2 4.16Å; Y609-F665 AromaticContact CG-CG 3.66Å; Y609-F665 HydrophobicContact CG-CG 3.66Å
610	Q	96.6	Very high	95.9	Very high	13 Å²	13	20.7 Å²	20.7	6%	0.061	11%	0.105	C	C	.	.	H	α-helix	trans	-59.7	-50.5	171	-178.4	63	30.3	0	0	111	N606 L608 L612 V613 E614 T822 P823 I824	N606-Q610 VanDerWaalsContact O-CB 3.3Å; N606-Q610 WeakPolarHBondContact O-CB 3.3Å; N606-Q610 PolarHBondContact O-N 2.93Å; N606-Q610 VanDerWaalsContact O-N 3.12Å; L608-Q610 VanDerWaalsContact C-N 3.34Å; L608-Q610 PolarHBondContact O-N 3.37Å; Q610-L612 VanDerWaalsContact C-N 3.26Å; Q610-L612 PolarHBondContact O-N 2.88Å; Q610-V613 PolarHBondContact O-N 3.42Å; Q610-V613 VanDerWaalsContact O-N 3.11Å; Q610-E614 PolarHBondContact NE2-OE1 2.7Å; Q610-E614 WeakPolarHBondContact O-CG 3.48Å; Q610-E614 PolarHBondContact O-N 3.36Å; Q610-E614 VanDerWaalsContact O-N 3.08Å; Q610-T822 HydrophobicContact CB-CG2 3.96Å; Q610-T822 HydrophobicContact CG-CG2 4.1Å; Q610-P823 VanDerWaalsContact OE1-CD 3.31Å; Q610-I824 HydrophobicContact CB-CG1 4.26Å
611	S	96.6	Very high	95.9	Very high	10 Å²	10	20.6 Å²	20.6	7%	0.07	11%	0.106	C	C	.	.	H	α-helix	trans	-56.6	-40.9	177.6	-51.6	0	0	0	0	111.7	P506 S607 L608 E614 I615	P506-S611 WeakPolarHBondContact CD-OG 3.32Å; S607-S611 PolarHBondContact O-N 3.03Å; S607-S611 VanDerWaalsContact O-N 3.12Å; S607-S611 PolarHBondContact O-OG 3.27Å; L608-S611 WeakPolarHBondContact O-CB 3.44Å; L608-S611 PolarHBondContact O-N 3.21Å; L608-S611 VanDerWaalsContact O-N 3.15Å; S611-E614 PolarHBondContact O-N 2.91Å; S611-I615 WeakPolarHBondContact O-CD1 3.33Å; S611-I615 VanDerWaalsContact O-CG1 3.23Å; S611-I615 WeakPolarHBondContact O-CG1 3.44Å; S611-I615 PolarHBondContact O-N 2.64Å
612	L	97.4	Very high	95.8	Very high	2 Å²	2	25.2 Å²	25.2	1%	0.01	12%	0.123	C	C	.	.	H	α-helix	trans	-68.8	-33.9	178	-68.2	176.3	0	0	0	113.6	I541 L542 M545 L608 Y609 Q610 L616 F665	I541-L612 HydrophobicContact CG2-CD1 3.93Å; L542-L612 HydrophobicContact CD1-CD2 3.88Å; M545-L612 HydrophobicContact CB-CD2 3.52Å; M545-L612 HydrophobicContact CE-CB 4.34Å; M545-L612 HydrophobicContact CE-CD1 4.23Å; M545-L612 HydrophobicContact CE-CD2 4.1Å; M545-L612 HydrophobicContact CE-CG 4.47Å; M545-L612 HydrophobicContact CG-CD1 4.29Å; M545-L612 HydrophobicContact CG-CD2 3.66Å; L608-L612 HydrophobicContact CD1-CD1 3.94Å; L608-L612 HydrophobicContact CD1-CG 4.07Å; L608-L612 HydrophobicContact CG-CD1 3.94Å; L608-L612 HydrophobicContact CG-CG 4.41Å; L608-L612 WeakPolarHBondContact O-CG 3.43Å; L608-L612 PolarHBondContact O-N 2.97Å; Y609-L612 HydrophobicContact CD1-CD1 4.27Å; Y609-L612 PolarHBondContact O-N 3.24Å; Q610-L612 VanDerWaalsContact C-N 3.26Å; Q610-L612 PolarHBondContact O-N 2.88Å; L612-L616 WeakPolarHBondContact O-CB 3.42Å; L612-L616 VanDerWaalsContact O-CG 3.28Å; L612-L616 WeakPolarHBondContact O-CG 3.48Å; L612-L616 PolarHBondContact O-N 3.45Å; L612-L616 VanDerWaalsContact O-N 3.14Å; L612-F665 HydrophobicContact CB-CE2 3.75Å; L612-F665 HydrophobicContact CB-CZ 3.72Å; L612-F665 HydrophobicContact CD1-CE1 4.34Å; L612-F665 HydrophobicContact CD1-CZ 3.91Å; L612-F665 HydrophobicContact CG-CZ 4.49Å
613	V	96.6	Very high	95.6	Very high	2 Å²	2	23.7 Å²	23.7	1%	0.012	13%	0.127	C	C	.	.	H	α-helix	trans	-65.1	-45.8	172.1	171.6	0	0	0	0	110.3	Y609 Q610 I615 L616 I617 F665 T668 L669 Y672 I824	Y609-V613 WeakPolarHBondContact O-CG2 3.49Å; Y609-V613 PolarHBondContact O-N 3.07Å; Q610-V613 PolarHBondContact O-N 3.42Å; Q610-V613 VanDerWaalsContact O-N 3.11Å; V613-I615 PolarHBondContact O-N 3.36Å; V613-L616 PolarHBondContact O-N 3.09Å; V613-I617 PolarHBondContact O-N 3.25Å; V613-F665 HydrophobicContact CG2-CD2 3.72Å; V613-F665 HydrophobicContact CG2-CE2 3.78Å; V613-T668 HydrophobicContact CG1-CG2 4.16Å; V613-T668 HydrophobicContact CG2-CG2 4.02Å; V613-L669 HydrophobicContact CG2-CD2 3.98Å; V613-L669 HydrophobicContact CG2-CG 4.39Å; V613-Y672 HydrophobicContact CG1-CD2 3.55Å; V613-Y672 HydrophobicContact CG1-CE2 3.48Å; V613-Y672 VanDerWaalsContact CG1-CE2 3.48Å; V613-I824 HydrophobicContact CG2-CD1 4.18Å
614	E	94.6	Very high	95.6	Very high	58 Å²	58	21.8 Å²	21.8	27%	0.271	12%	0.116	S	C	.	.	H	α-helix	trans	-65.6	-36.1	-179	-66.9	170.7	178.2	0	0	112.7	R503 Q610 S611 P618	R503-E614 IonicContact CZ-OE2 3.61Å; R503-E614 IonicContact NH1-OE2 2.76Å; R503-E614 PolarHBondContact NH1-OE2 3.19Å; Q610-E614 PolarHBondContact NE2-OE1 2.7Å; Q610-E614 WeakPolarHBondContact O-CG 3.48Å; Q610-E614 PolarHBondContact O-N 3.36Å; Q610-E614 VanDerWaalsContact O-N 3.08Å; S611-E614 PolarHBondContact O-N 2.91Å; E614-P618 WeakPolarHBondContact O-CA 3.33Å; E614-P618 VanDerWaalsContact O-CB 3.29Å; E614-P618 WeakPolarHBondContact O-CB 3.47Å; E614-P618 WeakPolarHBondContact O-CD 3.27Å
615	I	95	Very high	95.4	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-68.8	-42.6	174.6	-70.1	165.3	0	0	0	111.5	L499 D500 R503 L542 V546 S611 V613	L499-I615 VanDerWaalsContact CA-O 3.23Å; L499-I615 WeakPolarHBondContact CA-O 3.4Å; L499-I615 HydrophobicContact CB-CG2 4.5Å; L499-I615 WeakPolarHBondContact CB-O 3.5Å; D500-I615 PolarHBondContact N-O 2.94Å; D500-I615 VanDerWaalsContact N-O 3.08Å; R503-I615 HydrophobicContact CB-CD1 4.08Å; R503-I615 HydrophobicContact CB-CG1 3.91Å; R503-I615 HydrophobicContact CG-CG1 4.41Å; L542-I615 HydrophobicContact CD1-CD1 3.36Å; L542-I615 HydrophobicContact CG-CD1 4.38Å; V546-I615 HydrophobicContact CG2-CD1 4.36Å; V546-I615 HydrophobicContact CG2-CG2 3.95Å; S611-I615 WeakPolarHBondContact O-CD1 3.33Å; S611-I615 VanDerWaalsContact O-CG1 3.23Å; S611-I615 WeakPolarHBondContact O-CG1 3.44Å; S611-I615 PolarHBondContact O-N 2.64Å; V613-I615 PolarHBondContact O-N 3.36Å
616	L	95.7	Very high	95.1	Very high	2 Å²	2	27.8 Å²	27.8	1%	0.01	16%	0.158	C	C	.	.	H	α-helix	trans	-78.9	-30.6	-176.8	-73.1	178.8	0	0	0	114.1	L499 M545 L548 F550 L612 V613 I632 L669	L499-L616 HydrophobicContact CD2-CD2 4.12Å; M545-L616 HydrophobicContact CE-CD1 3.6Å; M545-L616 HydrophobicContact CE-CG 4.3Å; L548-L616 HydrophobicContact CD2-CD2 3.99Å; F550-L616 HydrophobicContact CE1-CD1 4.23Å; F550-L616 HydrophobicContact CE1-CD2 4.06Å; F550-L616 HydrophobicContact CZ-CD2 3.96Å; L612-L616 WeakPolarHBondContact O-CB 3.42Å; L612-L616 VanDerWaalsContact O-CG 3.28Å; L612-L616 WeakPolarHBondContact O-CG 3.48Å; L612-L616 PolarHBondContact O-N 3.45Å; L612-L616 VanDerWaalsContact O-N 3.14Å; V613-L616 PolarHBondContact O-N 3.09Å; L616-I632 HydrophobicContact CB-CD1 4.14Å; L616-I632 HydrophobicContact CD1-CG1 4.29Å; L616-I632 HydrophobicContact CD1-CG2 4.41Å; L616-I632 HydrophobicContact CD2-CD1 4.27Å; L616-I632 HydrophobicContact CD2-CG1 4.26Å; L616-L669 HydrophobicContact CB-CD2 4.5Å; L616-L669 HydrophobicContact CD1-CD1 4.35Å; L616-L669 HydrophobicContact CD1-CD2 3.83Å
617	I	95.7	Very high	94.9	Very high	7 Å²	7	29.7 Å²	29.7	4%	0.036	18%	0.175	C	C	.	.			trans	-141.2	63.7	-173.2	-41.7	174	0	0	0	109.1	V613 D619 V620 I624 L669 T673	V613-I617 PolarHBondContact O-N 3.25Å; I617-D619 PolarHBondContact O-N 3.03Å; I617-V620 HydrophobicContact CG2-CG1 4.09Å; I617-I624 HydrophobicContact CG2-CD1 3.88Å; I617-L669 HydrophobicContact CD1-CD2 4.02Å; I617-T673 HydrophobicContact CD1-CG2 3.59Å; I617-T673 HydrophobicContact CG1-CG2 4.38Å
618	P	92.9	Very high	94.8	Very high	46 Å²	46	28.2 Å²	28.2	30%	0.299	16%	0.164	S	C	.	.	S	Bend	trans	-66.5	-21.4	-174.6	24.7	-34.5	0	0	0	114.2	F498 D500 E614	F498-P618 WeakPolarHBondContact O-CG 3.26Å; D500-P618 HydrophobicContact CB-CB 3.98Å; D500-P618 HydrophobicContact CB-CG 4.36Å; E614-P618 WeakPolarHBondContact O-CA 3.33Å; E614-P618 VanDerWaalsContact O-CB 3.29Å; E614-P618 WeakPolarHBondContact O-CB 3.47Å; E614-P618 WeakPolarHBondContact O-CD 3.27Å
619	D	93.9	Very high	94.7	Very high	63 Å²	63	28.5 Å²	28.5	34%	0.337	17%	0.166	S	C	.	.			trans	-142.5	120.5	170.1	172.5	11.8	0	0	0	108.6	I617 L621 R622	I617-D619 PolarHBondContact O-N 3.03Å; D619-L621 PolarHBondContact O-N 2.98Å; D619-L621 WeakPolarHBondContact OD1-CB 3.38Å; D619-L621 PolarHBondContact OD1-N 3.17Å; D619-R622 HydrophobicContact CB-CB 3.81Å; D619-R622 VanDerWaalsContact OD2-CB 3.28Å; D619-R622 WeakPolarHBondContact OD2-CB 3.49Å; D619-R622 PolarHBondContact OD2-N 3.48Å; D619-R622 VanDerWaalsContact OD2-N 3.11Å
620	V	96	Very high	94.5	Very high	2 Å²	2	32.4 Å²	32.4	1%	0.012	19%	0.185	C	C	.	.	S	Bend	trans	-69.8	-16.5	178.6	-62.8	0	0	0	0	113	I617 Y672 L675 N676 Y806 Y809	I617-V620 HydrophobicContact CG2-CG1 4.09Å; V620-Y672 HydrophobicContact CG1-CD2 3.94Å; V620-Y672 HydrophobicContact CG1-CG 4.04Å; V620-L675 HydrophobicContact CB-CD2 3.96Å; V620-L675 HydrophobicContact CB-CG 4.17Å; V620-L675 HydrophobicContact CG1-CD2 4.24Å; V620-L675 HydrophobicContact CG2-CD2 3.86Å; V620-L675 HydrophobicContact CG2-CG 4.31Å; V620-N676 WeakPolarHBondContact O-CA 3.49Å; V620-N676 WeakPolarHBondContact O-CB 3.22Å; V620-N676 PolarHBondContact O-ND2 3.49Å; V620-Y806 HydrophobicContact CG2-CD2 4.22Å; V620-Y806 HydrophobicContact CG2-CE2 3.86Å; V620-Y809 HydrophobicContact CG1-CD2 4.19Å; V620-Y809 HydrophobicContact CG1-CE2 3.72Å; V620-Y809 HydrophobicContact CG2-CD1 4.39Å; V620-Y809 HydrophobicContact CG2-CD2 4.5Å; V620-Y809 HydrophobicContact CG2-CE1 4.09Å; V620-Y809 HydrophobicContact CG2-CE2 4.18Å
621	L	96.3	Very high	94.5	Very high	11 Å²	11	33.4 Å²	33.4	6%	0.058	20%	0.195	C	C	.	.	S	Bend	trans	-94.3	-33.1	179.2	-54.2	177.7	0	0	0	112.7	D619 A679 Q680 R683 L739 A743 Y806	D619-L621 PolarHBondContact O-N 2.98Å; D619-L621 WeakPolarHBondContact OD1-CB 3.38Å; D619-L621 PolarHBondContact OD1-N 3.17Å; L621-A679 HydrophobicContact CD2-CB 3.94Å; L621-Q680 PolarHBondContact O-NE2 3.47Å; L621-R683 PolarHBondContact O-NH1 3.29Å; L621-R683 PolarHBondContact O-NH2 2.74Å; L621-L739 HydrophobicContact CD2-CD2 4.39Å; L621-L739 HydrophobicContact CD2-CG 4.49Å; L621-A743 HydrophobicContact CD1-CB 3.42Å; L621-A743 VanDerWaalsContact CD1-CB 3.42Å; L621-Y806 HydrophobicContact CD1-CE2 4.3Å; L621-Y806 HydrophobicContact CD2-CD2 4.15Å; L621-Y806 HydrophobicContact CD2-CE2 4.03Å; L621-Y806 HydrophobicContact CG-CE2 4.26Å
622	R	94.1	Very high	94.5	Very high	97 Å²	97	32.9 Å²	32.9	37%	0.366	19%	0.192	S	C	.	.	S	Bend	trans	-54	136	178.1	-178.5	172.3	178.2	-160.9	-6.1	111.6	Q497 D619 I624 N676	Q497-R622 PolarHBondContact O-NH2 3.19Å; D619-R622 HydrophobicContact CB-CB 3.81Å; D619-R622 VanDerWaalsContact OD2-CB 3.28Å; D619-R622 WeakPolarHBondContact OD2-CB 3.49Å; D619-R622 PolarHBondContact OD2-N 3.48Å; D619-R622 VanDerWaalsContact OD2-N 3.11Å; R622-I624 PolarHBondContact O-N 3.47Å; R622-N676 PolarHBondContact O-ND2 3Å
623	P	92.7	Very high	94.5	Very high	73 Å²	73	35.6 Å²	35.6	47%	0.474	20%	0.202	S	C	.	.			trans	-62.8	118.9	177.3	-19.5	29.8	0	0	0	112.4	F498	F498-P623 WeakPolarHBondContact CD1-O 3.14Å; F498-P623 VanDerWaalsContact CE1-O 3.31Å; F498-P623 WeakPolarHBondContact CE1-O 3.46Å
624	I	93.3	Very high	94.4	Very high	20 Å²	20	39.8 Å²	39.8	10%	0.103	22%	0.224	C	C	.	.			trans	-108	136.6	175.3	-52.6	178.5	0	0	0	109.4	I617 R622 S626 L628 T629	I617-I624 HydrophobicContact CG2-CD1 3.88Å; R622-I624 PolarHBondContact O-N 3.47Å; I624-S626 PolarHBondContact O-N 3.17Å; I624-L628 HydrophobicContact CG2-CB 4.29Å; I624-L628 HydrophobicContact CG2-CD2 3.82Å; I624-L628 HydrophobicContact CG2-CG 4.14Å; I624-T629 HydrophobicContact CB-CG2 3.71Å; I624-T629 HydrophobicContact CG2-CG2 3.54Å
625	P	93.1	Very high	94.6	Very high	33 Å²	33	37.4 Å²	37.4	21%	0.214	21%	0.213	C	C	.	.			trans	-55	137.7	177.5	-28	36.1	0	0	0	113.5	Y495 F498 A627 L628 T629	Y495-P625 HydrophobicContact CD1-CB 4.29Å; Y495-P625 HydrophobicContact CD1-CG 4.05Å; Y495-P625 HydrophobicContact CE1-CB 3.78Å; Y495-P625 HydrophobicContact CE1-CG 3.96Å; F498-P625 HydrophobicContact CD2-CG 3.98Å; F498-P625 HydrophobicContact CE1-CG 4.18Å; F498-P625 HydrophobicContact CE2-CG 3.53Å; F498-P625 HydrophobicContact CG-CG 4.47Å; F498-P625 HydrophobicContact CZ-CG 3.64Å; P625-A627 VanDerWaalsContact C-N 3.26Å; P625-A627 PolarHBondContact O-N 2.57Å; P625-L628 HydrophobicContact CB-CB 4.26Å; P625-L628 PolarHBondContact O-N 2.93Å; P625-T629 PolarHBondContact O-N 3.01Å; P625-T629 PolarHBondContact O-OG1 3.15Å
626	S	90.5	Very high	94.7	Very high	98 Å²	98	37.4 Å²	37.4	69%	0.685	21%	0.213	S	C	*	.	H	α-helix	trans	-59.5	-34.5	-178.9	55.5	0	0	0	0	113.2	I624 T629 Q630	I624-S626 PolarHBondContact O-N 3.17Å; S626-T629 PolarHBondContact O-OG1 3.18Å; S626-Q630 VanDerWaalsContact O-CB 3.27Å; S626-Q630 WeakPolarHBondContact O-CB 3.24Å; S626-Q630 PolarHBondContact O-N 2.74Å
627	A	91.4	Very high	94.7	Very high	49 Å²	49	45.1 Å²	45.1	41%	0.405	25%	0.246	S	C	.	.	H	α-helix	trans	-66.5	-41.9	174.1	0	0	0	0	0	112.7	Y495 P625 Q630 A631	Y495-A627 WeakPolarHBondContact OH-CB 3.49Å; P625-A627 VanDerWaalsContact C-N 3.26Å; P625-A627 PolarHBondContact O-N 2.57Å; A627-Q630 PolarHBondContact O-N 3.04Å; A627-A631 PolarHBondContact O-N 3.14Å
628	L	93.8	Very high	94.8	Very high	2 Å²	2	46.5 Å²	46.5	1%	0.01	26%	0.257	C	S	.	.	H	α-helix	trans	-67.4	-48	177.3	177.9	58.7	0	0	0	111.2	Y495 F498 L499 L548 I624 P625 Q630 A631 I632	Y495-L628 HydrophobicContact CD1-CB 4.25Å; Y495-L628 HydrophobicContact CD1-CD2 4.49Å; Y495-L628 HydrophobicContact CD2-CB 4.42Å; Y495-L628 HydrophobicContact CD2-CD1 4.46Å; Y495-L628 HydrophobicContact CE1-CB 4.48Å; Y495-L628 HydrophobicContact CG-CB 4.26Å; Y495-L628 HydrophobicContact CG-CD1 4.45Å; Y495-L628 HydrophobicContact CG-CD2 4.33Å; F498-L628 HydrophobicContact CB-CD2 4.18Å; L499-L628 HydrophobicContact CD2-CD2 4.47Å; L548-L628 HydrophobicContact CD1-CD1 3.9Å; L548-L628 HydrophobicContact CD2-CD1 3.87Å; I624-L628 HydrophobicContact CG2-CB 4.29Å; I624-L628 HydrophobicContact CG2-CD2 3.82Å; I624-L628 HydrophobicContact CG2-CG 4.14Å; P625-L628 HydrophobicContact CB-CB 4.26Å; P625-L628 PolarHBondContact O-N 2.93Å; L628-Q630 PolarHBondContact O-N 3.39Å; L628-A631 WeakPolarHBondContact O-CB 3.5Å; L628-A631 PolarHBondContact O-N 2.85Å; L628-A631 VanDerWaalsContact O-N 3.11Å; L628-I632 HydrophobicContact CD1-CD1 4.2Å; L628-I632 HydrophobicContact CD1-CG1 4.43Å; L628-I632 HydrophobicContact CG-CD1 4.09Å; L628-I632 WeakPolarHBondContact O-CG1 3.24Å; L628-I632 PolarHBondContact O-N 3.37Å
629	T	94.5	Very high	95	Very high	8 Å²	8	44.4 Å²	44.4	5%	0.049	24%	0.243	C	C	.	.	H	α-helix	trans	-61.8	-30.5	175.1	59.6	0	0	0	0	112.2	I624 P625 S626 R633 T673	I624-T629 HydrophobicContact CB-CG2 3.71Å; I624-T629 HydrophobicContact CG2-CG2 3.54Å; P625-T629 PolarHBondContact O-N 3.01Å; P625-T629 PolarHBondContact O-OG1 3.15Å; S626-T629 PolarHBondContact O-OG1 3.18Å; T629-R633 WeakPolarHBondContact O-CB 3.42Å; T629-R633 WeakPolarHBondContact O-CG 3.21Å; T629-R633 PolarHBondContact O-N 2.73Å; T629-R633 PolarHBondContact OG1-NH2 2.89Å; T629-T673 HydrophobicContact CG2-CG2 4.22Å
630	Q	94.8	Very high	95	Very high	84 Å²	84	45.2 Å²	45.2	39%	0.393	24%	0.244	S	C	.	.	H	α-helix	trans	-75.3	-35.1	173.6	-166.5	56.1	36.8	0	0	113.3	S626 A627 L628 R633 N634	S626-Q630 VanDerWaalsContact O-CB 3.27Å; S626-Q630 WeakPolarHBondContact O-CB 3.24Å; S626-Q630 PolarHBondContact O-N 2.74Å; A627-Q630 PolarHBondContact O-N 3.04Å; L628-Q630 PolarHBondContact O-N 3.39Å; Q630-R633 PolarHBondContact O-N 2.83Å; Q630-N634 PolarHBondContact NE2-OD1 3.36Å; Q630-N634 WeakPolarHBondContact O-CB 3.38Å; Q630-N634 PolarHBondContact O-N 2.9Å; Q630-N634 PolarHBondContact O-ND2 3.39Å; Q630-N634 PolarHBondContact O-OD1 3.35Å
631	A	94.9	Very high	95	Very high	34 Å²	34	48 Å²	48	28%	0.281	26%	0.264	S	S	.	.	H	α-helix	trans	-61.4	-46.4	171.6	0	0	0	0	0	110.8	F550 A627 L628 R633 N634 F635	F550-A631 HydrophobicContact CD2-CB 4.45Å; F550-A631 HydrophobicContact CE2-CB 3.99Å; A627-A631 PolarHBondContact O-N 3.14Å; L628-A631 WeakPolarHBondContact O-CB 3.5Å; L628-A631 PolarHBondContact O-N 2.85Å; L628-A631 VanDerWaalsContact O-N 3.11Å; A631-R633 PolarHBondContact O-N 3.25Å; A631-N634 PolarHBondContact O-N 2.84Å; A631-F635 WeakPolarHBondContact O-CB 3.48Å; A631-F635 PolarHBondContact O-N 3.38Å
632	I	97.1	Very high	95.1	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-58.6	-46.8	174.5	-66.3	165.3	0	0	0	111.1	F550 L616 L628 N634 F635 A636 L669 T673	F550-I632 HydrophobicContact CZ-CG1 3.99Å; L616-I632 HydrophobicContact CB-CD1 4.14Å; L616-I632 HydrophobicContact CD1-CG1 4.29Å; L616-I632 HydrophobicContact CD1-CG2 4.41Å; L616-I632 HydrophobicContact CD2-CD1 4.27Å; L616-I632 HydrophobicContact CD2-CG1 4.26Å; L628-I632 HydrophobicContact CD1-CD1 4.2Å; L628-I632 HydrophobicContact CD1-CG1 4.43Å; L628-I632 HydrophobicContact CG-CD1 4.09Å; L628-I632 WeakPolarHBondContact O-CG1 3.24Å; L628-I632 PolarHBondContact O-N 3.37Å; I632-N634 VanDerWaalsContact C-N 3.35Å; I632-N634 PolarHBondContact O-N 3.13Å; I632-F635 PolarHBondContact O-N 3.29Å; I632-A636 VanDerWaalsContact O-CB 3.26Å; I632-A636 WeakPolarHBondContact O-CB 3.38Å; I632-A636 PolarHBondContact O-N 3.46Å; I632-L669 HydrophobicContact CG2-CB 4.03Å; I632-L669 HydrophobicContact CG2-CD1 4.25Å; I632-L669 HydrophobicContact CG2-CD2 3.95Å; I632-L669 HydrophobicContact CG2-CG 4.31Å; I632-T673 HydrophobicContact CB-CG2 4.28Å; I632-T673 HydrophobicContact CG2-CG2 3.83Å
633	R	96.8	Very high	95.2	Very high	59 Å²	59	44.7 Å²	44.7	22%	0.223	25%	0.251	C	S	.	.	H	α-helix	trans	-64.1	-35	175.8	-78.2	-174.7	-70.7	-92.4	-4.5	113.6	T629 Q630 A631 K637 T673	T629-R633 WeakPolarHBondContact O-CB 3.42Å; T629-R633 WeakPolarHBondContact O-CG 3.21Å; T629-R633 PolarHBondContact O-N 2.73Å; T629-R633 PolarHBondContact OG1-NH2 2.89Å; Q630-R633 PolarHBondContact O-N 2.83Å; A631-R633 PolarHBondContact O-N 3.25Å; R633-K637 PolarHBondContact O-N 3.02Å; R633-T673 WeakPolarHBondContact CG-OG1 3.36Å; R633-T673 VanDerWaalsContact NH1-CB 3.31Å; R633-T673 PolarHBondContact NH1-O 2.86Å; R633-T673 PolarHBondContact NH1-OG1 3.48Å
634	N	95.9	Very high	95.3	Very high	90 Å²	90	43.7 Å²	43.7	48%	0.481	24%	0.243	S	C	.	.	H	α-helix	trans	-69.5	-46.5	176.5	-70.9	-11.4	0	0	0	111	Q630 A631 I632 K637	Q630-N634 PolarHBondContact NE2-OD1 3.36Å; Q630-N634 WeakPolarHBondContact O-CB 3.38Å; Q630-N634 PolarHBondContact O-N 2.9Å; Q630-N634 PolarHBondContact O-ND2 3.39Å; Q630-N634 PolarHBondContact O-OD1 3.35Å; A631-N634 PolarHBondContact O-N 2.84Å; I632-N634 VanDerWaalsContact C-N 3.35Å; I632-N634 PolarHBondContact O-N 3.13Å; N634-K637 WeakPolarHBondContact O-CB 3.36Å; N634-K637 PolarHBondContact O-N 2.92Å; N634-K637 VanDerWaalsContact O-N 3.1Å
635	F	97.4	Very high	95.4	Very high	7 Å²	7	46.4 Å²	46.4	3%	0.031	26%	0.258	C	S	.	.	H	α-helix	trans	-55.3	-51.8	172.4	167	-111.5	0	0	0	111.3	M545 F550 V553 A631 I632 K637 S638 L639 W642 F665 L669	M545-F635 HydrophobicContact CE-CD1 4.32Å; M545-F635 HydrophobicContact CE-CE1 3.47Å; M545-F635 VanDerWaalsContact CE-CE1 3.47Å; M545-F635 HydrophobicContact CE-CZ 3.68Å; M545-F635 HydrophobicContact SD-CE1 3.84Å; M545-F635 HydrophobicContact SD-CE2 4.03Å; M545-F635 HydrophobicContact SD-CZ 3.44Å; M545-F635 WeakPolarHBondContact SD-CZ 3.31Å; F550-F635 HydrophobicContact CB-CB 4.05Å; F550-F635 HydrophobicContact CB-CD2 3.63Å; F550-F635 HydrophobicContact CB-CE2 4.31Å; F550-F635 HydrophobicContact CB-CG 4.04Å; F550-F635 HydrophobicContact CD1-CB 3.82Å; F550-F635 AromaticContact CD1-CD1 3.73Å; F550-F635 HydrophobicContact CD1-CD1 3.73Å; F550-F635 AromaticContact CD1-CD2 3.64Å; F550-F635 HydrophobicContact CD1-CD2 3.64Å; F550-F635 HydrophobicContact CD1-CE1 4.14Å; F550-F635 HydrophobicContact CD1-CE2 4.03Å; F550-F635 AromaticContact CD1-CG 3.44Å; F550-F635 HydrophobicContact CD1-CG 3.44Å; F550-F635 VanDerWaalsContact CD1-CG 3.44Å; F550-F635 HydrophobicContact CD1-CZ 4.25Å; F550-F635 HydrophobicContact CD2-CB 4.44Å; F550-F635 HydrophobicContact CE1-CB 4.38Å; F550-F635 AromaticContact CE1-CD1 4Å; F550-F635 HydrophobicContact CE1-CD1 4Å; F550-F635 HydrophobicContact CE1-CE1 4.42Å; F550-F635 HydrophobicContact CE1-CG 4.11Å; F550-F635 HydrophobicContact CG-CB 3.86Å; F550-F635 AromaticContact CG-CD2 3.96Å; F550-F635 HydrophobicContact CG-CD2 3.96Å; F550-F635 AromaticContact CG-CG 3.9Å; F550-F635 HydrophobicContact CG-CG 3.9Å; V553-F635 HydrophobicContact CB-CE2 4.16Å; V553-F635 HydrophobicContact CG1-CE2 4.43Å; V553-F635 HydrophobicContact CG2-CE2 3.92Å; V553-F635 HydrophobicContact CG2-CZ 4.28Å; A631-F635 WeakPolarHBondContact O-CB 3.48Å; A631-F635 PolarHBondContact O-N 3.38Å; I632-F635 PolarHBondContact O-N 3.29Å; F635-K637 PolarHBondContact O-N 2.76Å; F635-S638 PolarHBondContact O-N 3.21Å; F635-L639 HydrophobicContact CE1-CD1 4.26Å; F635-L639 HydrophobicContact CE1-CD2 4.03Å; F635-L639 HydrophobicContact CE1-CG 4.38Å; F635-L639 HydrophobicContact CE2-CD2 3.81Å; F635-L639 HydrophobicContact CE2-CG 4.49Å; F635-L639 HydrophobicContact CZ-CD2 3.54Å; F635-L639 HydrophobicContact CZ-CG 4.3Å; F635-L639 PolarHBondContact O-N 3.46Å; F635-W642 AromaticContact CD2-CZ3 3.91Å; F635-W642 HydrophobicContact CD2-CZ3 3.91Å; F635-W642 HydrophobicContact CE2-CZ3 4.26Å; F635-F665 AromaticContact CE1-CE1 3.86Å; F635-F665 HydrophobicContact CE1-CE1 3.86Å; F635-F665 HydrophobicContact CE1-CZ 4.04Å; F635-F665 HydrophobicContact CZ-CE1 4.21Å; F635-L669 HydrophobicContact CD1-CD1 4.06Å; F635-L669 HydrophobicContact CE1-CD1 4.09Å
636	A	97.7	Very high	95.5	Very high	0 Å²	0	45 Å²	45	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-61.4	-14.7	177.8	0	0	0	0	0	113.8	I632 A666 L669 R670	I632-A636 VanDerWaalsContact O-CB 3.26Å; I632-A636 WeakPolarHBondContact O-CB 3.38Å; I632-A636 PolarHBondContact O-N 3.46Å; A636-A666 WeakPolarHBondContact O-CB 3.42Å; A636-L669 HydrophobicContact CB-CB 4Å; A636-L669 HydrophobicContact CB-CD1 4.08Å; A636-R670 HydrophobicContact CB-CG 4.22Å; A636-R670 PolarHBondContact O-NE 2.91Å; A636-R670 PolarHBondContact O-NH2 3.28Å
637	K	96.8	Very high	95.7	Very high	165 Å²	165	40.4 Å²	40.4	72%	0.717	22%	0.217	S	C	*	.	H	α-helix	trans	-83.4	-26	173.3	-167.8	-178.4	175.8	-172.9	0	112.9	R633 N634 F635	R633-K637 PolarHBondContact O-N 3.02Å; N634-K637 WeakPolarHBondContact O-CB 3.36Å; N634-K637 PolarHBondContact O-N 2.92Å; N634-K637 VanDerWaalsContact O-N 3.1Å; F635-K637 PolarHBondContact O-N 2.76Å
638	S	96.8	Very high	95.5	Very high	36 Å²	36	43.8 Å²	43.8	25%	0.252	23%	0.226	S	C	.	.	H	α-helix	trans	-95.3	-20.7	-174.7	-54.4	0	0	0	0	114.4	F635 E640 S641 W642	F635-S638 PolarHBondContact O-N 3.21Å; S638-E640 PolarHBondContact O-N 3.04Å; S638-S641 PolarHBondContact O-N 2.78Å; S638-S641 PolarHBondContact O-OG 3.24Å; S638-S641 VanDerWaalsContact O-OG 3.13Å; S638-W642 VanDerWaalsContact CB-CD2 3.49Å; S638-W642 VanDerWaalsContact CB-CE2 3.45Å; S638-W642 WeakPolarHBondContact O-CB 3.4Å; S638-W642 PolarHBondContact O-N 2.74Å
639	L	96.4	Very high	95.2	Very high	1 Å²	1	48.5 Å²	48.5	1%	0.005	25%	0.251	C	S	.	.	H	α-helix	trans	-43.8	-55.3	-174.8	-76.5	169.2	0	0	0	114.3	W557 F635 S641 W642 L643 F665 A666	W557-L639 HydrophobicContact CH2-CB 4.5Å; W557-L639 HydrophobicContact CH2-CD2 3.54Å; W557-L639 HydrophobicContact CZ2-CD2 4.35Å; W557-L639 HydrophobicContact CZ3-CD2 4.26Å; W557-L639 WeakPolarHBondContact CZ3-O 3.44Å; F635-L639 HydrophobicContact CE1-CD1 4.26Å; F635-L639 HydrophobicContact CE1-CD2 4.03Å; F635-L639 HydrophobicContact CE1-CG 4.38Å; F635-L639 HydrophobicContact CE2-CD2 3.81Å; F635-L639 HydrophobicContact CE2-CG 4.49Å; F635-L639 HydrophobicContact CZ-CD2 3.54Å; F635-L639 HydrophobicContact CZ-CG 4.3Å; F635-L639 PolarHBondContact O-N 3.46Å; L639-S641 PolarHBondContact O-N 3.09Å; L639-W642 PolarHBondContact O-N 3.07Å; L639-L643 VanDerWaalsContact O-CB 3.31Å; L639-L643 WeakPolarHBondContact O-CB 3.49Å; L639-L643 PolarHBondContact O-N 3.36Å; L639-F665 HydrophobicContact CD1-CD1 3.58Å; L639-F665 HydrophobicContact CD1-CE1 3.83Å; L639-F665 HydrophobicContact CD2-CD1 4.37Å; L639-F665 HydrophobicContact CD2-CE1 4.19Å; L639-A666 HydrophobicContact CD1-CB 3.78Å
640	E	95.3	Very high	95.3	Very high	80 Å²	80	48.7 Å²	48.7	37%	0.374	25%	0.252	S	S	.	.	H	α-helix	trans	-60.5	-45.1	-175.2	177.3	173.2	-129.5	0	0	112.8	S638 T644 V659 N663	S638-E640 PolarHBondContact O-N 3.04Å; E640-T644 WeakPolarHBondContact O-CB 3.32Å; E640-T644 PolarHBondContact O-N 3.02Å; E640-T644 PolarHBondContact O-OG1 3.2Å; E640-V659 HydrophobicContact CG-CG1 4.22Å; E640-N663 PolarHBondContact OE1-ND2 2.69Å
641	S	95.9	Very high	95.3	Very high	61 Å²	61	45.8 Å²	45.8	43%	0.427	24%	0.24	S	C	.	.	H	α-helix	trans	-75.5	-35.5	-179.3	62.3	0	0	0	0	112.3	S638 L639 N645	S638-S641 PolarHBondContact O-N 2.78Å; S638-S641 PolarHBondContact O-OG 3.24Å; S638-S641 VanDerWaalsContact O-OG 3.13Å; L639-S641 PolarHBondContact O-N 3.09Å; S641-N645 WeakPolarHBondContact O-CB 3.19Å; S641-N645 PolarHBondContact O-N 3.38Å; S641-N645 PolarHBondContact O-ND2 3.24Å
642	W	97.1	Very high	95.3	Very high	38 Å²	38	52.2 Å²	52.2	14%	0.144	26%	0.264	C	S	.	.	H	α-helix	trans	-63	-45.5	173	-74.4	-16.4	0	0	0	112.5	T551 E554 W557 F635 S638 L639 A646	T551-W642 HydrophobicContact CG2-CH2 4.25Å; E554-W642 HydrophobicContact CB-CB 4.11Å; E554-W642 HydrophobicContact CB-CD2 3.83Å; E554-W642 HydrophobicContact CB-CE3 4.16Å; E554-W642 HydrophobicContact CB-CG 3.83Å; E554-W642 HydrophobicContact CG-CB 3.89Å; E554-W642 HydrophobicContact CG-CD2 4.23Å; E554-W642 HydrophobicContact CG-CG 3.72Å; E554-W642 PolarHBondContact OE2-NE1 3.35Å; E554-W642 VanDerWaalsContact OE2-NE1 3.09Å; W557-W642 HydrophobicContact CE3-CB 4.09Å; W557-W642 HydrophobicContact CZ3-CB 3.83Å; F635-W642 AromaticContact CD2-CZ3 3.91Å; F635-W642 HydrophobicContact CD2-CZ3 3.91Å; F635-W642 HydrophobicContact CE2-CZ3 4.26Å; S638-W642 VanDerWaalsContact CB-CD2 3.49Å; S638-W642 VanDerWaalsContact CB-CE2 3.45Å; S638-W642 WeakPolarHBondContact O-CB 3.4Å; S638-W642 PolarHBondContact O-N 2.74Å; L639-W642 PolarHBondContact O-N 3.07Å; W642-A646 WeakPolarHBondContact O-CB 3.48Å; W642-A646 PolarHBondContact O-N 2.72Å
643	L	97.2	Very high	95.1	Very high	0 Å²	0	55.5 Å²	55.5	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-66.1	-50	179.5	-176.9	57.9	0	0	0	111.6	W557 L639 N645 A646 M647 K658 V659 A662	W557-L643 HydrophobicContact CD2-CD1 3.89Å; W557-L643 HydrophobicContact CE3-CB 4Å; W557-L643 HydrophobicContact CE3-CD1 4.22Å; W557-L643 HydrophobicContact CG-CD1 4.23Å; W557-L643 HydrophobicContact CH2-CB 3.89Å; W557-L643 HydrophobicContact CH2-CD1 4.4Å; W557-L643 HydrophobicContact CZ2-CB 4.46Å; W557-L643 HydrophobicContact CZ2-CD1 4.13Å; W557-L643 HydrophobicContact CZ3-CB 3.66Å; W557-L643 HydrophobicContact CZ3-CD1 4.46Å; L639-L643 VanDerWaalsContact O-CB 3.31Å; L639-L643 WeakPolarHBondContact O-CB 3.49Å; L639-L643 PolarHBondContact O-N 3.36Å; L643-N645 VanDerWaalsContact C-N 3.33Å; L643-N645 PolarHBondContact O-N 3.23Å; L643-A646 PolarHBondContact O-N 2.93Å; L643-A646 VanDerWaalsContact O-N 3.13Å; L643-M647 HydrophobicContact CD1-CG 4.21Å; L643-M647 HydrophobicContact CD1-SD 3.56Å; L643-M647 VanDerWaalsContact CD1-SD 3.56Å; L643-M647 HydrophobicContact CG-SD 3.96Å; L643-M647 WeakPolarHBondContact O-CG 3.32Å; L643-M647 PolarHBondContact O-N 3.1Å; L643-K658 HydrophobicContact CD2-CB 4.11Å; L643-K658 WeakPolarHBondContact CD2-O 3.47Å; L643-V659 HydrophobicContact CD2-CG2 4.2Å; L643-V659 HydrophobicContact CG-CG2 4.41Å; L643-A662 HydrophobicContact CD2-CB 3.53Å
644	T	95.2	Very high	95.1	Very high	52 Å²	52	52.7 Å²	52.7	32%	0.319	27%	0.269	S	S	.	.	H	α-helix	trans	-59	-44.8	178.7	-51.8	0	0	0	0	111.2	E640 A646 M647 M648	E640-T644 WeakPolarHBondContact O-CB 3.32Å; E640-T644 PolarHBondContact O-N 3.02Å; E640-T644 PolarHBondContact O-OG1 3.2Å; T644-A646 PolarHBondContact O-N 3.15Å; T644-M647 PolarHBondContact O-N 2.99Å; T644-M648 PolarHBondContact O-N 3.43Å
645	N	94.2	Very high	95.2	Very high	78 Å²	78	49.6 Å²	49.6	42%	0.417	25%	0.253	S	S	.	.	H	α-helix	trans	-63.1	-37.6	176.3	-75.8	-32.1	0	0	0	113	F563 S641 L643 M647 M648	F563-N645 VanDerWaalsContact CD2-O 3.27Å; F563-N645 WeakPolarHBondContact CD2-O 3.47Å; F563-N645 WeakPolarHBondContact CE2-O 3.23Å; S641-N645 WeakPolarHBondContact O-CB 3.19Å; S641-N645 PolarHBondContact O-N 3.38Å; S641-N645 PolarHBondContact O-ND2 3.24Å; L643-N645 VanDerWaalsContact C-N 3.33Å; L643-N645 PolarHBondContact O-N 3.23Å; N645-M647 VanDerWaalsContact C-N 3.29Å; N645-M647 PolarHBondContact O-N 2.88Å; N645-M648 WeakPolarHBondContact O-CG 3.24Å
646	A	95.1	Very high	95	Very high	2 Å²	2	56.2 Å²	56.2	2%	0.017	28%	0.278	C	S	.	.	H	α-helix	trans	-67.6	-30	176.7	0	0	0	0	0	112.7	W557 K558 W642 L643 T644	W557-A646 HydrophobicContact CB-CB 3.75Å; K558-A646 HydrophobicContact CG-CB 3.8Å; W642-A646 WeakPolarHBondContact O-CB 3.48Å; W642-A646 PolarHBondContact O-N 2.72Å; L643-A646 PolarHBondContact O-N 2.93Å; L643-A646 VanDerWaalsContact O-N 3.13Å; T644-A646 PolarHBondContact O-N 3.15Å
647	M	95.3	Very high	94.9	Very high	2 Å²	2	57.2 Å²	57.2	1%	0.01	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.4	10.4	-173	-63.7	-178.9	72.3	0	0	115	W561 L643 T644 N645 N649 I650 M654 V655 K658	W561-M647 HydrophobicContact CD2-CE 4.33Å; W561-M647 HydrophobicContact CD2-CG 4.05Å; W561-M647 HydrophobicContact CG-CG 3.81Å; W561-M647 HydrophobicContact CH2-CE 4.23Å; W561-M647 HydrophobicContact CZ2-CE 3.98Å; W561-M647 HydrophobicContact CZ2-SD 4.4Å; L643-M647 HydrophobicContact CD1-CG 4.21Å; L643-M647 HydrophobicContact CD1-SD 3.56Å; L643-M647 VanDerWaalsContact CD1-SD 3.56Å; L643-M647 HydrophobicContact CG-SD 3.96Å; L643-M647 WeakPolarHBondContact O-CG 3.32Å; L643-M647 PolarHBondContact O-N 3.1Å; T644-M647 PolarHBondContact O-N 2.99Å; N645-M647 VanDerWaalsContact C-N 3.29Å; N645-M647 PolarHBondContact O-N 2.88Å; M647-N649 PolarHBondContact O-N 3.36Å; M647-I650 HydrophobicContact CB-CB 4.27Å; M647-I650 HydrophobicContact CB-CG1 4.22Å; M647-I650 HydrophobicContact CE-CB 4.32Å; M647-I650 HydrophobicContact CE-CG2 3.84Å; M647-I650 WeakPolarHBondContact O-CB 3.24Å; M647-I650 PolarHBondContact O-N 2.88Å; M647-M654 HydrophobicContact CE-CG 3.78Å; M647-V655 HydrophobicContact CB-CG2 3.95Å; M647-V655 HydrophobicContact CE-CB 4.46Å; M647-V655 HydrophobicContact CE-CG2 4.05Å; M647-K658 HydrophobicContact CE-CB 4.43Å; M647-K658 HydrophobicContact CE-CD 3.67Å; M647-K658 HydrophobicContact CE-CG 4.47Å; M647-K658 HydrophobicContact SD-CB 4.22Å; M647-K658 HydrophobicContact SD-CD 4.04Å
648	M	88.4	Confident	94.9	Very high	120 Å²	120	49.6 Å²	49.6	59%	0.591	25%	0.25	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.5	-4	-177.3	-75.6	-66.8	-56.7	0	0	117.8	F563 T644 N645	F563-M648 HydrophobicContact CE2-CB 4.21Å; F563-M648 HydrophobicContact CE2-CG 4.43Å; T644-M648 PolarHBondContact O-N 3.43Å; N645-M648 WeakPolarHBondContact O-CG 3.24Å
649	N	87.5	Confident	94.8	Very high	101 Å²	101	48.9 Å²	48.9	54%	0.54	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-133.4	22.2	177.7	-62.5	-99.5	0	0	0	112.2	M647	M647-N649 PolarHBondContact O-N 3.36Å
650	I	95	Very high	94.7	Very high	13 Å²	13	50.4 Å²	50.4	7%	0.067	25%	0.254	C	S	.	.	S	Bend	trans	-111.5	147.3	180	-55.6	-59	0	0	0	107.7	W561 V589 C592 M647 E652 M654	W561-I650 HydrophobicContact CB-CD1 4.39Å; W561-I650 HydrophobicContact CB-CG1 4.21Å; W561-I650 HydrophobicContact CD2-CG1 4.21Å; W561-I650 HydrophobicContact CE3-CD1 3.72Å; W561-I650 HydrophobicContact CE3-CG1 3.76Å; W561-I650 HydrophobicContact CE3-CG2 4.18Å; W561-I650 HydrophobicContact CG-CG1 4.42Å; W561-I650 HydrophobicContact CZ3-CD1 4.48Å; W561-I650 HydrophobicContact CZ3-CG2 4.16Å; V589-I650 HydrophobicContact CG2-CD1 4.37Å; C592-I650 HydrophobicContact CB-CG2 4.13Å; M647-I650 HydrophobicContact CB-CB 4.27Å; M647-I650 HydrophobicContact CB-CG1 4.22Å; M647-I650 HydrophobicContact CE-CB 4.32Å; M647-I650 HydrophobicContact CE-CG2 3.84Å; M647-I650 WeakPolarHBondContact O-CB 3.24Å; M647-I650 PolarHBondContact O-N 2.88Å; I650-E652 PolarHBondContact O-N 3.39Å; I650-M654 HydrophobicContact CG2-CB 4.01Å; I650-M654 HydrophobicContact CG2-CG 3.81Å
651	P	95.6	Very high	94.7	Very high	23 Å²	23	46.9 Å²	46.9	15%	0.149	24%	0.238	C	C	.	.			trans	-53.7	136.2	-180	-27	35.1	0	0	0	113	V589 C592 K593 E653 M654 V655	V589-P651 HydrophobicContact CG1-CG 4.19Å; V589-P651 WeakPolarHBondContact O-CG 3.28Å; C592-P651 HydrophobicContact CB-CG 3.86Å; K593-P651 HydrophobicContact CD-CG 4.42Å; K593-P651 HydrophobicContact CG-CB 3.95Å; K593-P651 HydrophobicContact CG-CG 3.64Å; P651-E653 PolarHBondContact O-N 3.34Å; P651-E653 VanDerWaalsContact O-N 3.11Å; P651-M654 WeakPolarHBondContact O-CB 3.37Å; P651-M654 PolarHBondContact O-N 2.94Å; P651-V655 PolarHBondContact O-N 3.17Å
652	E	94.4	Very high	94.7	Very high	169 Å²	169	44 Å²	44	79%	0.79	22%	0.217	S	C	*	.	H	α-helix	trans	-56.4	-32.9	-172.9	-63.2	-175.8	163.3	0	0	113.2	I650 V655 R656	I650-E652 PolarHBondContact O-N 3.39Å; E652-V655 CarbonylContact O-C 3.58Å; E652-V655 WeakPolarHBondContact O-CA 3.33Å; E652-V655 WeakPolarHBondContact O-CB 3.3Å; E652-V655 PolarHBondContact O-N 3.02Å; E652-V655 VanDerWaalsContact O-N 3.13Å; E652-R656 WeakPolarHBondContact O-CB 3.4Å; E652-R656 PolarHBondContact O-N 3.15Å
653	E	94.1	Very high	94.6	Very high	69 Å²	69	42.9 Å²	42.9	32%	0.322	22%	0.215	S	C	.	.	H	α-helix	trans	-63.4	-43	176.9	-178.2	50.2	-146.6	0	0	112.6	L598 P651 V655 R656 I657	L598-E653 HydrophobicContact CD1-CG 3.73Å; L598-E653 HydrophobicContact CD2-CG 4.02Å; P651-E653 PolarHBondContact O-N 3.34Å; P651-E653 VanDerWaalsContact O-N 3.11Å; E653-V655 VanDerWaalsContact C-N 3.3Å; E653-V655 PolarHBondContact O-N 3.16Å; E653-R656 WeakPolarHBondContact O-CB 3.39Å; E653-R656 PolarHBondContact O-N 3.3Å; E653-R656 IonicContact OE1-CZ 3.49Å; E653-R656 IonicContact OE1-NE 2.86Å; E653-R656 PolarHBondContact OE1-NE 3Å; E653-R656 IonicContact OE1-NH2 3.17Å; E653-R656 PolarHBondContact OE1-NH2 3.13Å; E653-R656 IonicContact OE2-CZ 3.18Å; E653-R656 IonicContact OE2-NE 2.71Å; E653-R656 PolarHBondContact OE2-NE 3.43Å; E653-R656 IonicContact OE2-NH2 2.79Å; E653-R656 PolarHBondContact OE2-NH2 3.31Å; E653-I657 PolarHBondContact O-N 3.1Å; E653-I657 VanDerWaalsContact O-N 3.13Å
654	M	96.5	Very high	94.5	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-65.9	-33.3	172.8	178	60.9	77.1	0	0	111.3	W561 C592 V597 L598 M647 I650 P651 I657 K658	W561-M654 HydrophobicContact CH2-CG 4.15Å; W561-M654 HydrophobicContact CH2-SD 4.24Å; W561-M654 HydrophobicContact CZ3-CG 4.43Å; C592-M654 HydrophobicContact CB-CB 3.95Å; C592-M654 HydrophobicContact CB-CE 4.15Å; C592-M654 HydrophobicContact CB-CG 4.02Å; V597-M654 HydrophobicContact CG1-CE 4.05Å; L598-M654 HydrophobicContact CD2-CB 3.82Å; L598-M654 HydrophobicContact CD2-CE 3.8Å; L598-M654 HydrophobicContact CD2-SD 4.22Å; L598-M654 HydrophobicContact CG-CE 4.44Å; M647-M654 HydrophobicContact CE-CG 3.78Å; I650-M654 HydrophobicContact CG2-CB 4.01Å; I650-M654 HydrophobicContact CG2-CG 3.81Å; P651-M654 WeakPolarHBondContact O-CB 3.37Å; P651-M654 PolarHBondContact O-N 2.94Å; M654-I657 WeakPolarHBondContact O-CG1 3.36Å; M654-I657 HydrophobicContact SD-CD1 4Å; M654-I657 HydrophobicContact SD-CG1 4.38Å; M654-K658 HydrophobicContact CG-CD 4.24Å; M654-K658 WeakPolarHBondContact O-CB 3.44Å; M654-K658 VanDerWaalsContact O-CG 3.25Å; M654-K658 WeakPolarHBondContact O-CG 3.45Å; M654-K658 PolarHBondContact O-N 3.43Å; M654-K658 HydrophobicContact SD-CD 3.69Å; M654-K658 HydrophobicContact SD-CG 4.13Å
655	V	96.7	Very high	94.6	Very high	25 Å²	25	40.7 Å²	40.7	15%	0.152	20%	0.201	C	C	.	.	H	α-helix	trans	-66	-45.1	171.7	-172.7	0	0	0	0	110.6	M647 P651 E652 E653 K658 V659	M647-V655 HydrophobicContact CB-CG2 3.95Å; M647-V655 HydrophobicContact CE-CB 4.46Å; M647-V655 HydrophobicContact CE-CG2 4.05Å; P651-V655 PolarHBondContact O-N 3.17Å; E652-V655 CarbonylContact O-C 3.58Å; E652-V655 WeakPolarHBondContact O-CA 3.33Å; E652-V655 WeakPolarHBondContact O-CB 3.3Å; E652-V655 PolarHBondContact O-N 3.02Å; E652-V655 VanDerWaalsContact O-N 3.13Å; E653-V655 VanDerWaalsContact C-N 3.3Å; E653-V655 PolarHBondContact O-N 3.16Å; V655-K658 PolarHBondContact O-N 2.89Å; V655-V659 HydrophobicContact CG1-CG2 3.88Å; V655-V659 WeakPolarHBondContact O-CB 3.27Å; V655-V659 WeakPolarHBondContact O-CG2 3.48Å; V655-V659 PolarHBondContact O-N 3.41Å
656	R	94.9	Very high	94.8	Very high	145 Å²	145	37 Å²	37	55%	0.547	18%	0.182	S	C	.	.	H	α-helix	trans	-58.9	-50.4	-176.6	-171.8	-176.5	72.8	99.2	1.5	112	E652 E653 T660	E652-R656 WeakPolarHBondContact O-CB 3.4Å; E652-R656 PolarHBondContact O-N 3.15Å; E653-R656 WeakPolarHBondContact O-CB 3.39Å; E653-R656 PolarHBondContact O-N 3.3Å; E653-R656 IonicContact OE1-CZ 3.49Å; E653-R656 IonicContact OE1-NE 2.86Å; E653-R656 PolarHBondContact OE1-NE 3Å; E653-R656 IonicContact OE1-NH2 3.17Å; E653-R656 PolarHBondContact OE1-NH2 3.13Å; E653-R656 IonicContact OE2-CZ 3.18Å; E653-R656 IonicContact OE2-NE 2.71Å; E653-R656 PolarHBondContact OE2-NE 3.43Å; E653-R656 IonicContact OE2-NH2 2.79Å; E653-R656 PolarHBondContact OE2-NH2 3.31Å; R656-T660 WeakPolarHBondContact O-CB 3.47Å; R656-T660 PolarHBondContact O-N 3.07Å; R656-T660 PolarHBondContact O-OG1 3.12Å
657	I	94.9	Very high	94.8	Very high	21 Å²	21	41.3 Å²	41.3	11%	0.108	20%	0.201	C	C	.	.	H	α-helix	trans	-64.9	-40.5	179.2	62.2	171.2	0	0	0	111.6	L598 R602 E653 M654 T660 S661	L598-I657 HydrophobicContact CB-CD1 4Å; L598-I657 HydrophobicContact CD2-CD1 3.62Å; L598-I657 HydrophobicContact CD2-CG1 4.38Å; L598-I657 HydrophobicContact CG-CD1 4.45Å; L598-I657 WeakPolarHBondContact O-CD1 3.42Å; R602-I657 HydrophobicContact CB-CD1 4.28Å; E653-I657 PolarHBondContact O-N 3.1Å; E653-I657 VanDerWaalsContact O-N 3.13Å; M654-I657 WeakPolarHBondContact O-CG1 3.36Å; M654-I657 HydrophobicContact SD-CD1 4Å; M654-I657 HydrophobicContact SD-CG1 4.38Å; I657-T660 WeakPolarHBondContact O-CB 3.37Å; I657-T660 PolarHBondContact O-N 3.41Å; I657-S661 PolarHBondContact O-N 3.31Å; I657-S661 PolarHBondContact O-OG 2.85Å
658	K	95.8	Very high	94.8	Very high	6 Å²	6	41.2 Å²	41.2	3%	0.026	20%	0.201	C	C	.	.	H	α-helix	trans	-73.2	-41	-177.2	-69.6	-172.1	146.2	-76.9	0	112.7	Y534 W561 D605 L643 M647 M654 V655 T660 S661 A662	Y534-K658 WeakPolarHBondContact OH-CE 3.36Å; Y534-K658 PolarHBondContact OH-NZ 3.48Å; W561-K658 HydrophobicContact CH2-CD 4.02Å; W561-K658 HydrophobicContact CZ2-CD 3.55Å; W561-K658 VanDerWaalsContact CZ2-CE 3.48Å; D605-K658 IonicContact OD1-NZ 2.64Å; D605-K658 PolarHBondContact OD1-NZ 2.84Å; D605-K658 IonicContact OD2-NZ 2.62Å; D605-K658 PolarHBondContact OD2-NZ 3.49Å; L643-K658 HydrophobicContact CD2-CB 4.11Å; L643-K658 WeakPolarHBondContact CD2-O 3.47Å; M647-K658 HydrophobicContact CE-CB 4.43Å; M647-K658 HydrophobicContact CE-CD 3.67Å; M647-K658 HydrophobicContact CE-CG 4.47Å; M647-K658 HydrophobicContact SD-CB 4.22Å; M647-K658 HydrophobicContact SD-CD 4.04Å; M654-K658 HydrophobicContact CG-CD 4.24Å; M654-K658 WeakPolarHBondContact O-CB 3.44Å; M654-K658 VanDerWaalsContact O-CG 3.25Å; M654-K658 WeakPolarHBondContact O-CG 3.45Å; M654-K658 PolarHBondContact O-N 3.43Å; M654-K658 HydrophobicContact SD-CD 3.69Å; M654-K658 HydrophobicContact SD-CG 4.13Å; V655-K658 PolarHBondContact O-N 2.89Å; K658-T660 VanDerWaalsContact C-N 3.26Å; K658-T660 PolarHBondContact O-N 3.33Å; K658-S661 PolarHBondContact O-N 3.15Å; K658-A662 WeakPolarHBondContact O-CB 3.42Å; K658-A662 PolarHBondContact O-N 3.35Å
659	V	95.2	Very high	95.3	Very high	21 Å²	21	35.5 Å²	35.5	13%	0.127	17%	0.173	C	C	.	.	H	α-helix	trans	-65.5	-30.5	172.5	169.7	0	0	0	0	111.4	E640 L643 V655 N663	E640-V659 HydrophobicContact CG-CG1 4.22Å; L643-V659 HydrophobicContact CD2-CG2 4.2Å; L643-V659 HydrophobicContact CG-CG2 4.41Å; V655-V659 HydrophobicContact CG1-CG2 3.88Å; V655-V659 WeakPolarHBondContact O-CB 3.27Å; V655-V659 WeakPolarHBondContact O-CG2 3.48Å; V655-V659 PolarHBondContact O-N 3.41Å; V659-N663 VanDerWaalsContact O-CB 3.24Å; V659-N663 WeakPolarHBondContact O-CB 3.28Å; V659-N663 PolarHBondContact O-N 2.84Å; V659-N663 PolarHBondContact O-ND2 3.44Å
660	T	94	Very high	95.7	Very high	33 Å²	33	34 Å²	34	20%	0.202	16%	0.16	C	C	.	.	H	α-helix	trans	-67.8	-53.1	173.1	-58.2	0	0	0	0	111.2	R656 I657 K658 A662 N663 A664	R656-T660 WeakPolarHBondContact O-CB 3.47Å; R656-T660 PolarHBondContact O-N 3.07Å; R656-T660 PolarHBondContact O-OG1 3.12Å; I657-T660 WeakPolarHBondContact O-CB 3.37Å; I657-T660 PolarHBondContact O-N 3.41Å; K658-T660 VanDerWaalsContact C-N 3.26Å; K658-T660 PolarHBondContact O-N 3.33Å; T660-A662 PolarHBondContact O-N 3.38Å; T660-N663 WeakPolarHBondContact O-CB 3.41Å; T660-N663 PolarHBondContact O-N 3Å; T660-A664 PolarHBondContact O-N 2.91Å
661	S	95.3	Very high	95.8	Very high	5 Å²	5	35.5 Å²	35.5	4%	0.035	17%	0.165	C	C	.	.	H	α-helix	trans	-61.2	-43	177.5	-65	0	0	0	0	112.7	N606 I657 K658 N663 A664 F665	N606-S661 WeakPolarHBondContact OD1-CB 3.42Å; N606-S661 PolarHBondContact OD1-OG 3.32Å; I657-S661 PolarHBondContact O-N 3.31Å; I657-S661 PolarHBondContact O-OG 2.85Å; K658-S661 PolarHBondContact O-N 3.15Å; S661-N663 VanDerWaalsContact C-N 3.31Å; S661-N663 PolarHBondContact O-N 2.88Å; S661-A664 PolarHBondContact O-N 3.33Å; S661-F665 PolarHBondContact O-N 3.4Å
662	A	96.5	Very high	95.8	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-67	-29.3	176.5	0	0	0	0	0	113	Y609 L643 K658 T660 A666	Y609-A662 HydrophobicContact CE2-CB 4.28Å; L643-A662 HydrophobicContact CD2-CB 3.53Å; K658-A662 WeakPolarHBondContact O-CB 3.42Å; K658-A662 PolarHBondContact O-N 3.35Å; T660-A662 PolarHBondContact O-N 3.38Å; A662-A666 VanDerWaalsContact O-CB 3.23Å; A662-A666 WeakPolarHBondContact O-CB 3.35Å; A662-A666 PolarHBondContact O-N 3.45Å
663	N	95.5	Very high	96	Very high	16 Å²	16	26.6 Å²	26.6	9%	0.086	12%	0.121	C	C	.	.	H	α-helix	trans	-70.7	-42.7	170.9	-94.6	-59.9	0	0	0	112.2	E640 V659 T660 S661 F665 A666 Q667	E640-N663 PolarHBondContact OE1-ND2 2.69Å; V659-N663 VanDerWaalsContact O-CB 3.24Å; V659-N663 WeakPolarHBondContact O-CB 3.28Å; V659-N663 PolarHBondContact O-N 2.84Å; V659-N663 PolarHBondContact O-ND2 3.44Å; T660-N663 WeakPolarHBondContact O-CB 3.41Å; T660-N663 PolarHBondContact O-N 3Å; S661-N663 VanDerWaalsContact C-N 3.31Å; S661-N663 PolarHBondContact O-N 2.88Å; N663-F665 VanDerWaalsContact C-N 3.32Å; N663-F665 PolarHBondContact O-N 3.43Å; N663-A666 PolarHBondContact O-N 3.36Å; N663-Q667 VanDerWaalsContact O-CG 3.32Å; N663-Q667 WeakPolarHBondContact O-CG 3.22Å; N663-Q667 PolarHBondContact O-N 2.94Å
664	A	95.4	Very high	96.1	Very high	5 Å²	5	26 Å²	26	4%	0.041	13%	0.125	C	C	.	.	H	α-helix	trans	-57.7	-47	174.4	0	0	0	0	0	110.9	T660 S661 Q667 T668 I824 M827	T660-A664 PolarHBondContact O-N 2.91Å; S661-A664 PolarHBondContact O-N 3.33Å; A664-Q667 PolarHBondContact O-N 3.42Å; A664-T668 WeakPolarHBondContact O-CB 3.2Å; A664-T668 PolarHBondContact O-N 2.99Å; A664-T668 PolarHBondContact O-OG1 3.12Å; A664-I824 HydrophobicContact CB-CG2 4.15Å; A664-M827 HydrophobicContact CB-CB 4.42Å
665	F	97.3	Very high	96.1	Very high	1 Å²	1	26.1 Å²	26.1	0%	0.004	13%	0.125	C	C	.	.	H	α-helix	trans	-56.1	-50.6	171.5	178.1	-133.7	0	0	0	112.9	M545 Y609 L612 V613 F635 L639 S661 N663 Q667 T668 L669	M545-F665 HydrophobicContact CE-CZ 4.2Å; Y609-F665 HydrophobicContact CD1-CB 4.09Å; Y609-F665 AromaticContact CD1-CD1 3.36Å; Y609-F665 HydrophobicContact CD1-CD1 3.36Å; Y609-F665 HydrophobicContact CD1-CD2 4.2Å; Y609-F665 AromaticContact CD1-CE1 3.71Å; Y609-F665 HydrophobicContact CD1-CE1 3.71Å; Y609-F665 HydrophobicContact CD1-CE2 4.48Å; Y609-F665 AromaticContact CD1-CG 3.63Å; Y609-F665 HydrophobicContact CD1-CG 3.63Å; Y609-F665 HydrophobicContact CD1-CZ 4.26Å; Y609-F665 HydrophobicContact CD2-CB 3.99Å; Y609-F665 HydrophobicContact CD2-CG 4.43Å; Y609-F665 AromaticContact CE1-CD1 3.82Å; Y609-F665 HydrophobicContact CE1-CD1 3.82Å; Y609-F665 HydrophobicContact CE1-CE1 4.17Å; Y609-F665 HydrophobicContact CE1-CG 4.44Å; Y609-F665 HydrophobicContact CG-CB 3.68Å; Y609-F665 AromaticContact CG-CD1 3.88Å; Y609-F665 HydrophobicContact CG-CD1 3.88Å; Y609-F665 HydrophobicContact CG-CD2 4.16Å; Y609-F665 AromaticContact CG-CG 3.66Å; Y609-F665 HydrophobicContact CG-CG 3.66Å; L612-F665 HydrophobicContact CB-CE2 3.75Å; L612-F665 HydrophobicContact CB-CZ 3.72Å; L612-F665 HydrophobicContact CD1-CE1 4.34Å; L612-F665 HydrophobicContact CD1-CZ 3.91Å; L612-F665 HydrophobicContact CG-CZ 4.49Å; V613-F665 HydrophobicContact CG2-CD2 3.72Å; V613-F665 HydrophobicContact CG2-CE2 3.78Å; F635-F665 AromaticContact CE1-CE1 3.86Å; F635-F665 HydrophobicContact CE1-CE1 3.86Å; F635-F665 HydrophobicContact CE1-CZ 4.04Å; F635-F665 HydrophobicContact CZ-CE1 4.21Å; L639-F665 HydrophobicContact CD1-CD1 3.58Å; L639-F665 HydrophobicContact CD1-CE1 3.83Å; L639-F665 HydrophobicContact CD2-CD1 4.37Å; L639-F665 HydrophobicContact CD2-CE1 4.19Å; S661-F665 PolarHBondContact O-N 3.4Å; N663-F665 VanDerWaalsContact C-N 3.32Å; N663-F665 PolarHBondContact O-N 3.43Å; F665-Q667 VanDerWaalsContact C-N 3.34Å; F665-Q667 PolarHBondContact O-N 3.2Å; F665-T668 PolarHBondContact O-N 2.77Å; F665-L669 HydrophobicContact CD2-CD1 4.19Å; F665-L669 HydrophobicContact CD2-CG 4.18Å; F665-L669 HydrophobicContact CE1-CD1 4.15Å; F665-L669 HydrophobicContact CE2-CD1 3.69Å; F665-L669 HydrophobicContact CE2-CD2 4.16Å; F665-L669 HydrophobicContact CE2-CG 3.9Å; F665-L669 HydrophobicContact CZ-CD1 3.67Å; F665-L669 HydrophobicContact CZ-CG 4.39Å; F665-L669 PolarHBondContact O-N 2.92Å
666	A	97.3	Very high	96.2	Very high	1 Å²	1	25.1 Å²	25.1	1%	0.008	12%	0.119	C	C	.	.	H	α-helix	trans	-58.8	-42	179.4	0	0	0	0	0	112.9	A636 L639 A662 N663 R670	A636-A666 WeakPolarHBondContact O-CB 3.42Å; L639-A666 HydrophobicContact CD1-CB 3.78Å; A662-A666 VanDerWaalsContact O-CB 3.23Å; A662-A666 WeakPolarHBondContact O-CB 3.35Å; A662-A666 PolarHBondContact O-N 3.45Å; N663-A666 PolarHBondContact O-N 3.36Å; A666-R670 WeakPolarHBondContact O-CD 3.43Å; A666-R670 WeakPolarHBondContact O-CG 3.25Å; A666-R670 PolarHBondContact O-N 3.32Å; A666-R670 PolarHBondContact O-NE 3.21Å
667	Q	95.3	Very high	96.2	Very high	91 Å²	91	24.4 Å²	24.4	43%	0.425	12%	0.122	S	C	.	.	H	α-helix	trans	-71.9	-39.9	177.6	-61.2	-66.8	19.6	0	0	111.6	N663 A664 F665 L669 R670 R671	N663-Q667 VanDerWaalsContact O-CG 3.32Å; N663-Q667 WeakPolarHBondContact O-CG 3.22Å; N663-Q667 PolarHBondContact O-N 2.94Å; A664-Q667 PolarHBondContact O-N 3.42Å; F665-Q667 VanDerWaalsContact C-N 3.34Å; F665-Q667 PolarHBondContact O-N 3.2Å; Q667-L669 PolarHBondContact O-N 2.89Å; Q667-R670 PolarHBondContact O-N 2.89Å; Q667-R670 VanDerWaalsContact O-N 3.13Å; Q667-R671 WeakPolarHBondContact O-CB 3.16Å; Q667-R671 WeakPolarHBondContact O-CG 3.3Å; Q667-R671 PolarHBondContact O-N 2.91Å
668	T	96.4	Very high	96.3	Very high	1 Å²	1	25.1 Å²	25.1	1%	0.006	13%	0.125	C	C	.	.	H	α-helix	trans	-59.6	-46.5	177.7	-56.4	0	0	0	0	111.3	V613 A664 F665 R670 R671 Y672 I824	V613-T668 HydrophobicContact CG1-CG2 4.16Å; V613-T668 HydrophobicContact CG2-CG2 4.02Å; A664-T668 WeakPolarHBondContact O-CB 3.2Å; A664-T668 PolarHBondContact O-N 2.99Å; A664-T668 PolarHBondContact O-OG1 3.12Å; F665-T668 PolarHBondContact O-N 2.77Å; T668-R670 VanDerWaalsContact C-N 3.35Å; T668-R670 PolarHBondContact O-N 2.86Å; T668-R671 PolarHBondContact O-N 3.48Å; T668-Y672 HydrophobicContact CG2-CD1 3.98Å; T668-Y672 HydrophobicContact CG2-CD2 4.15Å; T668-Y672 HydrophobicContact CG2-CE1 3.55Å; T668-Y672 HydrophobicContact CG2-CE2 3.76Å; T668-Y672 HydrophobicContact CG2-CG 4.24Å; T668-Y672 WeakPolarHBondContact O-CB 3.48Å; T668-Y672 WeakPolarHBondContact O-CD1 3.48Å; T668-Y672 PolarHBondContact O-N 3.33Å; T668-I824 HydrophobicContact CG2-CD1 3.87Å; T668-I824 WeakPolarHBondContact OG1-CD1 3.5Å
669	L	97.5	Very high	96.4	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-59.3	-40.5	173.4	-70	178.4	0	0	0	113.1	V613 L616 I617 I632 F635 A636 F665 Q667 T673	V613-L669 HydrophobicContact CG2-CD2 3.98Å; V613-L669 HydrophobicContact CG2-CG 4.39Å; L616-L669 HydrophobicContact CB-CD2 4.5Å; L616-L669 HydrophobicContact CD1-CD1 4.35Å; L616-L669 HydrophobicContact CD1-CD2 3.83Å; I617-L669 HydrophobicContact CD1-CD2 4.02Å; I632-L669 HydrophobicContact CG2-CB 4.03Å; I632-L669 HydrophobicContact CG2-CD1 4.25Å; I632-L669 HydrophobicContact CG2-CD2 3.95Å; I632-L669 HydrophobicContact CG2-CG 4.31Å; F635-L669 HydrophobicContact CD1-CD1 4.06Å; F635-L669 HydrophobicContact CE1-CD1 4.09Å; A636-L669 HydrophobicContact CB-CB 4Å; A636-L669 HydrophobicContact CB-CD1 4.08Å; F665-L669 HydrophobicContact CD2-CD1 4.19Å; F665-L669 HydrophobicContact CD2-CG 4.18Å; F665-L669 HydrophobicContact CE1-CD1 4.15Å; F665-L669 HydrophobicContact CE2-CD1 3.69Å; F665-L669 HydrophobicContact CE2-CD2 4.16Å; F665-L669 HydrophobicContact CE2-CG 3.9Å; F665-L669 HydrophobicContact CZ-CD1 3.67Å; F665-L669 HydrophobicContact CZ-CG 4.39Å; F665-L669 PolarHBondContact O-N 2.92Å; Q667-L669 PolarHBondContact O-N 2.89Å; L669-T673 WeakPolarHBondContact O-CB 3.19Å; L669-T673 VanDerWaalsContact O-CG2 3.3Å; L669-T673 WeakPolarHBondContact O-CG2 3.14Å; L669-T673 PolarHBondContact O-N 3.19Å; L669-T673 VanDerWaalsContact O-N 3.14Å; L669-T673 PolarHBondContact O-OG1 3Å
670	R	96.3	Very high	96.4	Very high	69 Å²	69	26.4 Å²	26.4	26%	0.26	13%	0.13	S	C	.	.	H	α-helix	trans	-67.3	-42.4	177.1	-66.3	162.8	-162.7	170.1	2.6	111.4	A636 A666 Q667 T668 T673 S674	A636-R670 HydrophobicContact CB-CG 4.22Å; A636-R670 PolarHBondContact O-NE 2.91Å; A636-R670 PolarHBondContact O-NH2 3.28Å; A666-R670 WeakPolarHBondContact O-CD 3.43Å; A666-R670 WeakPolarHBondContact O-CG 3.25Å; A666-R670 PolarHBondContact O-N 3.32Å; A666-R670 PolarHBondContact O-NE 3.21Å; Q667-R670 PolarHBondContact O-N 2.89Å; Q667-R670 VanDerWaalsContact O-N 3.13Å; T668-R670 VanDerWaalsContact C-N 3.35Å; T668-R670 PolarHBondContact O-N 2.86Å; R670-T673 PolarHBondContact O-OG1 3.4Å; R670-S674 WeakPolarHBondContact O-CB 3.43Å; R670-S674 PolarHBondContact O-N 3.34Å; R670-S674 PolarHBondContact O-OG 3.17Å
671	R	96.1	Very high	96.5	Very high	44 Å²	44	26.5 Å²	26.5	17%	0.166	13%	0.134	C	C	.	.	H	α-helix	trans	-66.6	-53.4	178.5	-73.2	-175.3	63.3	-126	-10.6	111.5	Q667 T668 T673 S674 L675 E805 E812	Q667-R671 WeakPolarHBondContact O-CB 3.16Å; Q667-R671 WeakPolarHBondContact O-CG 3.3Å; Q667-R671 PolarHBondContact O-N 2.91Å; T668-R671 PolarHBondContact O-N 3.48Å; R671-T673 PolarHBondContact O-N 3.07Å; R671-S674 CarbonylContact O-C 3.56Å; R671-S674 WeakPolarHBondContact O-CA 3.3Å; R671-S674 WeakPolarHBondContact O-CB 3.36Å; R671-S674 PolarHBondContact O-N 2.87Å; R671-L675 PolarHBondContact O-N 3.48Å; R671-E805 IonicContact CZ-OE2 3.26Å; R671-E805 IonicContact NE-OE2 2.69Å; R671-E805 PolarHBondContact NE-OE2 2.99Å; R671-E805 IonicContact NH2-OE2 2.77Å; R671-E805 PolarHBondContact NH2-OE2 3.39Å; R671-E812 IonicContact CZ-OE2 2.71Å; R671-E812 IonicContact NH1-OE2 3.45Å; R671-E812 PolarHBondContact NH1-OE2 3.07Å; R671-E812 IonicContact NH2-OE2 3.3Å
672	Y	97.3	Very high	96.6	Very high	5 Å²	5	26.3 Å²	26.3	2%	0.02	13%	0.133	C	C	.	.	H	α-helix	trans	-65	-37.2	-176.4	-71.4	19.5	0	0	0	111.8	V613 V620 T668 S674 N676 Y809 E812 H813	V613-Y672 HydrophobicContact CG1-CD2 3.55Å; V613-Y672 HydrophobicContact CG1-CE2 3.48Å; V613-Y672 VanDerWaalsContact CG1-CE2 3.48Å; V620-Y672 HydrophobicContact CG1-CD2 3.94Å; V620-Y672 HydrophobicContact CG1-CG 4.04Å; T668-Y672 HydrophobicContact CG2-CD1 3.98Å; T668-Y672 HydrophobicContact CG2-CD2 4.15Å; T668-Y672 HydrophobicContact CG2-CE1 3.55Å; T668-Y672 HydrophobicContact CG2-CE2 3.76Å; T668-Y672 HydrophobicContact CG2-CG 4.24Å; T668-Y672 WeakPolarHBondContact O-CB 3.48Å; T668-Y672 WeakPolarHBondContact O-CD1 3.48Å; T668-Y672 PolarHBondContact O-N 3.33Å; Y672-S674 PolarHBondContact O-N 2.68Å; Y672-N676 WeakPolarHBondContact O-CB 3.34Å; Y672-N676 PolarHBondContact O-N 3.45Å; Y672-Y809 HydrophobicContact CD1-CD2 4.28Å; Y672-Y809 HydrophobicContact CD2-CE2 4.33Å; Y672-Y809 AromaticContact CE1-CD2 3.82Å; Y672-Y809 HydrophobicContact CE1-CD2 3.82Å; Y672-Y809 HydrophobicContact CE1-CE2 4.39Å; Y672-Y809 HydrophobicContact CE2-CD2 4.12Å; Y672-Y809 AromaticContact CE2-CE2 3.84Å; Y672-Y809 HydrophobicContact CE2-CE2 3.84Å; Y672-Y809 AromaticContact CZ-CD2 3.76Å; Y672-Y809 AromaticContact CZ-CE2 3.92Å; Y672-E812 PolarHBondContact OH-OE1 3.26Å; Y672-H813 AromaticContact CZ-CE1 3.96Å; Y672-H813 PolarHBondContact OH-CE1 3.44Å
673	T	97.4	Very high	96.6	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-72.4	-13.2	172.4	61.7	0	0	0	0	114.3	I617 T629 I632 R633 L669 R670 R671	I617-T673 HydrophobicContact CD1-CG2 3.59Å; I617-T673 HydrophobicContact CG1-CG2 4.38Å; T629-T673 HydrophobicContact CG2-CG2 4.22Å; I632-T673 HydrophobicContact CB-CG2 4.28Å; I632-T673 HydrophobicContact CG2-CG2 3.83Å; R633-T673 WeakPolarHBondContact CG-OG1 3.36Å; R633-T673 VanDerWaalsContact NH1-CB 3.31Å; R633-T673 PolarHBondContact NH1-O 2.86Å; R633-T673 PolarHBondContact NH1-OG1 3.48Å; L669-T673 WeakPolarHBondContact O-CB 3.19Å; L669-T673 VanDerWaalsContact O-CG2 3.3Å; L669-T673 WeakPolarHBondContact O-CG2 3.14Å; L669-T673 PolarHBondContact O-N 3.19Å; L669-T673 VanDerWaalsContact O-N 3.14Å; L669-T673 PolarHBondContact O-OG1 3Å; R670-T673 PolarHBondContact O-OG1 3.4Å; R671-T673 PolarHBondContact O-N 3.07Å
674	S	96.6	Very high	96.5	Very high	58 Å²	58	29.9 Å²	29.9	41%	0.406	16%	0.159	S	C	.	.	H	α-helix	trans	-90.5	-42.4	173	-58	0	0	0	0	111.3	R670 R671 Y672 N676 H677 L678	R670-S674 WeakPolarHBondContact O-CB 3.43Å; R670-S674 PolarHBondContact O-N 3.34Å; R670-S674 PolarHBondContact O-OG 3.17Å; R671-S674 CarbonylContact O-C 3.56Å; R671-S674 WeakPolarHBondContact O-CA 3.3Å; R671-S674 WeakPolarHBondContact O-CB 3.36Å; R671-S674 PolarHBondContact O-N 2.87Å; Y672-S674 PolarHBondContact O-N 2.68Å; S674-N676 VanDerWaalsContact C-N 3.25Å; S674-N676 PolarHBondContact O-N 3.49Å; S674-H677 WeakPolarHBondContact O-CB 3.31Å; S674-H677 PolarHBondContact O-N 3.27Å; S674-L678 PolarHBondContact O-N 2.92Å
675	L	97.6	Very high	96.5	Very high	2 Å²	2	30.2 Å²	30.2	1%	0.01	16%	0.16	C	C	.	.	H	α-helix	trans	-53.7	-43	166.4	172.6	55.5	0	0	0	111	V620 R671 H677 L678 A679 L802 E805 Y806 Y809	V620-L675 HydrophobicContact CB-CD2 3.96Å; V620-L675 HydrophobicContact CB-CG 4.17Å; V620-L675 HydrophobicContact CG1-CD2 4.24Å; V620-L675 HydrophobicContact CG2-CD2 3.86Å; V620-L675 HydrophobicContact CG2-CG 4.31Å; R671-L675 PolarHBondContact O-N 3.48Å; L675-H677 VanDerWaalsContact C-N 3.31Å; L675-H677 PolarHBondContact O-N 3.5Å; L675-L678 PolarHBondContact O-N 2.84Å; L675-A679 WeakPolarHBondContact O-CB 3.44Å; L675-A679 PolarHBondContact O-N 3.36Å; L675-L802 HydrophobicContact CD1-CD1 3.54Å; L675-E805 HydrophobicContact CB-CB 4.36Å; L675-E805 HydrophobicContact CD1-CB 3.9Å; L675-Y806 HydrophobicContact CD1-CD2 4.3Å; L675-Y806 HydrophobicContact CD2-CD2 4.29Å; L675-Y809 HydrophobicContact CD2-CD2 4.24Å; L675-Y809 HydrophobicContact CD2-CG 4.07Å
676	N	97.1	Very high	96.4	Very high	4 Å²	4	30.7 Å²	30.7	2%	0.021	16%	0.163	C	C	.	.	H	α-helix	trans	-60.4	-37.8	174.4	-171.6	-106.1	0	0	0	113.7	V620 R622 Y672 S674 A679 Q680	V620-N676 WeakPolarHBondContact O-CA 3.49Å; V620-N676 WeakPolarHBondContact O-CB 3.22Å; V620-N676 PolarHBondContact O-ND2 3.49Å; R622-N676 PolarHBondContact O-ND2 3Å; Y672-N676 WeakPolarHBondContact O-CB 3.34Å; Y672-N676 PolarHBondContact O-N 3.45Å; S674-N676 VanDerWaalsContact C-N 3.25Å; S674-N676 PolarHBondContact O-N 3.49Å; N676-A679 PolarHBondContact O-N 2.82Å; N676-Q680 PolarHBondContact ND2-NE2 3.33Å; N676-Q680 VanDerWaalsContact O-CG 3.28Å; N676-Q680 WeakPolarHBondContact O-CG 3.43Å; N676-Q680 PolarHBondContact O-N 3.05Å; N676-Q680 VanDerWaalsContact O-N 3.07Å; N676-Q680 PolarHBondContact O-NE2 2.68Å; N676-Q680 VanDerWaalsContact O-NE2 3.09Å
677	H	95.7	Very high	96.2	Very high	130 Å²	130	37.6 Å²	37.6	60%	0.602	20%	0.195	S	C	*	.	H	α-helix	trans	-70.3	-40.6	176	-176.9	-84.3	0	0	0	111.9	S674 L675 A679 Q680 A681	S674-H677 WeakPolarHBondContact O-CB 3.31Å; S674-H677 PolarHBondContact O-N 3.27Å; L675-H677 VanDerWaalsContact C-N 3.31Å; L675-H677 PolarHBondContact O-N 3.5Å; H677-A679 VanDerWaalsContact C-N 3.33Å; H677-Q680 PolarHBondContact O-N 2.92Å; H677-A681 PolarHBondContact O-N 3.24Å
678	L	97.3	Very high	96.2	Very high	35 Å²	35	36 Å²	36	18%	0.183	19%	0.189	C	C	.	.	H	α-helix	trans	-60.7	-42.3	171.9	-70.7	169.7	0	0	0	111.3	S674 L675 Q680 A681 A682 L798 L801 L802 E805	S674-L678 PolarHBondContact O-N 2.92Å; L675-L678 PolarHBondContact O-N 2.84Å; L678-Q680 PolarHBondContact O-N 2.88Å; L678-A681 PolarHBondContact O-N 3.27Å; L678-A682 WeakPolarHBondContact O-CB 3.28Å; L678-A682 PolarHBondContact O-N 3.23Å; L678-L798 HydrophobicContact CD2-CD1 4.01Å; L678-L801 HydrophobicContact CD2-CB 4.15Å; L678-L802 HydrophobicContact CB-CB 4.24Å; L678-L802 HydrophobicContact CB-CD1 3.99Å; L678-E805 HydrophobicContact CD1-CG 4.24Å
679	A	97.4	Very high	96.1	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-60.2	-44.4	176.1	0	0	0	0	0	112	L621 L675 N676 H677 A681 R683 L739 L802	L621-A679 HydrophobicContact CD2-CB 3.94Å; L675-A679 WeakPolarHBondContact O-CB 3.44Å; L675-A679 PolarHBondContact O-N 3.36Å; N676-A679 PolarHBondContact O-N 2.82Å; H677-A679 VanDerWaalsContact C-N 3.33Å; A679-A681 PolarHBondContact O-N 2.95Å; A679-R683 VanDerWaalsContact O-CB 3.28Å; A679-R683 WeakPolarHBondContact O-CB 3.44Å; A679-R683 PolarHBondContact O-N 3.06Å; A679-L739 HydrophobicContact CB-CD2 3.82Å; A679-L739 VanDerWaalsContact O-CD2 3.24Å; A679-L739 WeakPolarHBondContact O-CD2 3.27Å; A679-L802 HydrophobicContact CB-CD1 4.19Å
680	Q	95.6	Very high	96.1	Very high	54 Å²	54	42.6 Å²	42.6	25%	0.252	24%	0.237	S	C	.	.	H	α-helix	trans	-64.6	-41.1	176.1	-57.1	-28.4	-59.4	0	0	112.3	L621 N676 H677 L678 R683 A684	L621-Q680 PolarHBondContact O-NE2 3.47Å; N676-Q680 PolarHBondContact ND2-NE2 3.33Å; N676-Q680 VanDerWaalsContact O-CG 3.28Å; N676-Q680 WeakPolarHBondContact O-CG 3.43Å; N676-Q680 PolarHBondContact O-N 3.05Å; N676-Q680 VanDerWaalsContact O-N 3.07Å; N676-Q680 PolarHBondContact O-NE2 2.68Å; N676-Q680 VanDerWaalsContact O-NE2 3.09Å; H677-Q680 PolarHBondContact O-N 2.92Å; L678-Q680 PolarHBondContact O-N 2.88Å; Q680-R683 PolarHBondContact O-N 3.28Å; Q680-A684 PolarHBondContact O-N 3.3Å
681	A	96.2	Very high	96	Very high	36 Å²	36	42.7 Å²	42.7	30%	0.298	24%	0.24	S	C	.	.	H	α-helix	trans	-65.9	-44	178.8	0	0	0	0	0	112	H677 L678 A679 A684 L798	H677-A681 PolarHBondContact O-N 3.24Å; L678-A681 PolarHBondContact O-N 3.27Å; A679-A681 PolarHBondContact O-N 2.95Å; A681-A684 PolarHBondContact O-N 2.8Å; A681-L798 HydrophobicContact CB-CD1 4.05Å; A681-L798 HydrophobicContact CB-CD2 3.93Å
682	A	96.8	Very high	96	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-69.3	-34.9	177.1	0	0	0	0	0	112.6	L678 A684 V685 L686 L802	L678-A682 WeakPolarHBondContact O-CB 3.28Å; L678-A682 PolarHBondContact O-N 3.23Å; A682-A684 PolarHBondContact O-N 3.38Å; A682-V685 WeakPolarHBondContact O-CB 3.41Å; A682-V685 PolarHBondContact O-N 3.39Å; A682-L686 WeakPolarHBondContact O-CG 3.39Å; A682-L686 PolarHBondContact O-N 3.35Å; A682-L802 HydrophobicContact CB-CD2 3.31Å
683	R	95.8	Very high	95.9	Very high	28 Å²	28	44.7 Å²	44.7	11%	0.106	25%	0.254	C	S	.	.	H	α-helix	trans	-58.3	-34.7	175.3	-172.7	177	-75.7	107.1	-5	111.8	L621 A679 Q680 L686 Q687 L739 E740	L621-R683 PolarHBondContact O-NH1 3.29Å; L621-R683 PolarHBondContact O-NH2 2.74Å; A679-R683 VanDerWaalsContact O-CB 3.28Å; A679-R683 WeakPolarHBondContact O-CB 3.44Å; A679-R683 PolarHBondContact O-N 3.06Å; Q680-R683 PolarHBondContact O-N 3.28Å; R683-L686 PolarHBondContact O-N 3.11Å; R683-Q687 WeakPolarHBondContact O-CB 3.42Å; R683-Q687 VanDerWaalsContact O-CG 3.24Å; R683-Q687 WeakPolarHBondContact O-CG 3.41Å; R683-Q687 PolarHBondContact O-N 3.43Å; R683-Q687 VanDerWaalsContact O-N 3.07Å; R683-L739 HydrophobicContact CB-CD2 4.16Å; R683-E740 IonicContact CZ-OE1 3Å; R683-E740 VanDerWaalsContact CZ-OE1 3.29Å; R683-E740 IonicContact NE-OE1 2.74Å; R683-E740 PolarHBondContact NE-OE1 2.99Å; R683-E740 VanDerWaalsContact NE-OE1 3.11Å; R683-E740 IonicContact NH2-OE1 3.15Å; R683-E740 PolarHBondContact NH2-OE1 3.3Å
684	A	94.9	Very high	95.9	Very high	63 Å²	63	48.3 Å²	48.3	52%	0.521	27%	0.271	S	S	.	.	H	α-helix	trans	-69.2	-29.8	174.5	0	0	0	0	0	113.9	Q680 A681 A682	Q680-A684 PolarHBondContact O-N 3.3Å; A681-A684 PolarHBondContact O-N 2.8Å; A682-A684 PolarHBondContact O-N 3.38Å
685	V	95.2	Very high	95.9	Very high	13 Å²	13	45.5 Å²	45.5	8%	0.079	25%	0.252	C	S	.	.	H	α-helix	trans	-74.7	-46.5	172.2	172.8	0	0	0	0	110.6	A682 Q687 N688 M695 L798	A682-V685 WeakPolarHBondContact O-CB 3.41Å; A682-V685 PolarHBondContact O-N 3.39Å; V685-Q687 PolarHBondContact O-N 3.49Å; V685-N688 WeakPolarHBondContact O-CB 3.39Å; V685-N688 PolarHBondContact O-N 2.97Å; V685-M695 HydrophobicContact CG1-SD 3.98Å; V685-L798 HydrophobicContact CG2-CD2 4.01Å
686	L	94.3	Very high	95.8	Very high	10 Å²	10	46.5 Å²	46.5	5%	0.052	26%	0.257	C	S	.	.	H	α-helix	trans	-71	-6.6	-179.7	-66.7	173.7	0	0	0	114.1	A682 R683 I692 L739 W742 I799	A682-L686 WeakPolarHBondContact O-CG 3.39Å; A682-L686 PolarHBondContact O-N 3.35Å; R683-L686 PolarHBondContact O-N 3.11Å; L686-I692 WeakPolarHBondContact O-CD1 3.48Å; L686-L739 HydrophobicContact CD1-CB 4.16Å; L686-L739 HydrophobicContact CD1-CD1 3.98Å; L686-W742 HydrophobicContact CD1-CG 4.45Å; L686-I799 HydrophobicContact CD2-CD1 3.83Å; L686-I799 HydrophobicContact CG-CD1 4.33Å
687	Q	93.8	Very high	95.8	Very high	147 Å²	147	49.3 Å²	49.3	69%	0.687	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.6	-2	168.7	-73.3	173.7	-11.1	0	0	113	R683 V685	R683-Q687 WeakPolarHBondContact O-CB 3.42Å; R683-Q687 VanDerWaalsContact O-CG 3.24Å; R683-Q687 WeakPolarHBondContact O-CG 3.41Å; R683-Q687 PolarHBondContact O-N 3.43Å; R683-Q687 VanDerWaalsContact O-N 3.07Å; V685-Q687 PolarHBondContact O-N 3.49Å
688	N	95.1	Very high	95.9	Very high	58 Å²	58	43.3 Å²	43.3	31%	0.31	25%	0.249	S	C	.	.			trans	-104.4	90.3	-176.7	-172	-25.3	0	0	0	111.4	V685 A690 Q691 I692	V685-N688 WeakPolarHBondContact O-CB 3.39Å; V685-N688 PolarHBondContact O-N 2.97Å; N688-A690 PolarHBondContact O-N 3.17Å; N688-A690 PolarHBondContact OD1-N 2.78Å; N688-Q691 HydrophobicContact CB-CB 4.07Å; N688-Q691 HydrophobicContact CB-CG 4.2Å; N688-Q691 PolarHBondContact ND2-NE2 3.27Å; N688-Q691 PolarHBondContact O-N 3.36Å; N688-Q691 PolarHBondContact OD1-N 2.85Å; N688-I692 WeakPolarHBondContact O-CG1 3.43Å; N688-I692 PolarHBondContact O-N 3.32Å
689	T	95.1	Very high	95.8	Very high	67 Å²	67	41.8 Å²	41.8	41%	0.411	24%	0.242	S	C	.	.	H	α-helix	trans	-48.6	-35.4	177.8	-52.5	0	0	0	0	113.9	N693 Q736	T689-N693 WeakPolarHBondContact O-CB 3.42Å; T689-N693 VanDerWaalsContact O-CG 3.32Å; T689-N693 PolarHBondContact O-N 2.86Å; T689-N693 PolarHBondContact O-ND2 3.06Å; T689-N693 VanDerWaalsContact O-ND2 3.07Å; T689-Q736 VanDerWaalsContact CB-OE1 3.29Å; T689-Q736 PolarHBondContact OG1-OE1 3.2Å
690	A	95.6	Very high	95.7	Very high	71 Å²	71	46.9 Å²	46.9	59%	0.587	27%	0.269	S	S	*	.	H	α-helix	trans	-71	-39.6	178.6	0	0	0	0	0	112.1	N688 Q694	N688-A690 PolarHBondContact O-N 3.17Å; N688-A690 PolarHBondContact OD1-N 2.78Å; A690-Q694 PolarHBondContact O-N 3.06Å; A690-Q694 VanDerWaalsContact O-N 3.16Å
691	Q	95.1	Very high	95.6	Very high	71 Å²	71	49.5 Å²	49.5	33%	0.332	28%	0.276	S	S	.	.	H	α-helix	trans	-67.1	-42.1	172.1	-71.9	178.9	-3.8	0	0	111.4	N688 N693 Q694 M695	N688-Q691 HydrophobicContact CB-CB 4.07Å; N688-Q691 HydrophobicContact CB-CG 4.2Å; N688-Q691 PolarHBondContact ND2-NE2 3.27Å; N688-Q691 PolarHBondContact O-N 3.36Å; N688-Q691 PolarHBondContact OD1-N 2.85Å; Q691-N693 PolarHBondContact O-N 3.45Å; Q691-Q694 PolarHBondContact O-N 2.96Å; Q691-Q694 VanDerWaalsContact O-N 3.17Å; Q691-M695 WeakPolarHBondContact O-CB 3.42Å; Q691-M695 VanDerWaalsContact O-CG 3.29Å; Q691-M695 WeakPolarHBondContact O-CG 3.45Å; Q691-M695 PolarHBondContact O-N 2.96Å
692	I	95.7	Very high	95.6	Very high	2 Å²	2	48.4 Å²	48.4	1%	0.01	27%	0.266	C	S	.	.	H	α-helix	trans	-59.1	-45.3	177.5	-66.6	168	0	0	0	111.4	L686 N688 Q694 M695 L696 L733 Q736	L686-I692 WeakPolarHBondContact O-CD1 3.48Å; N688-I692 WeakPolarHBondContact O-CG1 3.43Å; N688-I692 PolarHBondContact O-N 3.32Å; I692-Q694 PolarHBondContact O-N 3.36Å; I692-M695 WeakPolarHBondContact O-CB 3.48Å; I692-M695 PolarHBondContact O-N 3.22Å; I692-L696 HydrophobicContact CG2-CD1 4.02Å; I692-L696 WeakPolarHBondContact O-CG 3.37Å; I692-L696 PolarHBondContact O-N 3.26Å; I692-L733 HydrophobicContact CG1-CD1 4.4Å; I692-L733 HydrophobicContact CG2-CD1 3.85Å; I692-L733 HydrophobicContact CG2-CG 4.06Å; I692-L733 VanDerWaalsContact CG2-O 3.25Å; I692-L733 WeakPolarHBondContact CG2-O 3.44Å; I692-Q736 HydrophobicContact CD1-CB 4.26Å; I692-Q736 HydrophobicContact CD1-CG 3.97Å; I692-Q736 HydrophobicContact CG2-CG 4.11Å
693	N	95.9	Very high	95.3	Very high	89 Å²	89	51.5 Å²	51.5	48%	0.476	28%	0.282	S	S	.	.	H	α-helix	trans	-64.1	-38	176.3	-74.2	-37.1	0	0	0	112.6	T689 Q691 S697	T689-N693 WeakPolarHBondContact O-CB 3.42Å; T689-N693 VanDerWaalsContact O-CG 3.32Å; T689-N693 PolarHBondContact O-N 2.86Å; T689-N693 PolarHBondContact O-ND2 3.06Å; T689-N693 VanDerWaalsContact O-ND2 3.07Å; Q691-N693 PolarHBondContact O-N 3.45Å; N693-S697 WeakPolarHBondContact O-CB 3.39Å; N693-S697 PolarHBondContact O-N 2.92Å
694	Q	96.9	Very high	95.2	Very high	76 Å²	76	51.3 Å²	51.3	36%	0.355	28%	0.282	S	S	.	.	H	α-helix	trans	-67	-38.1	173	-176.4	57.2	51	0	0	111.9	A690 Q691 I692 S697 D698 A791	A690-Q694 PolarHBondContact O-N 3.06Å; A690-Q694 VanDerWaalsContact O-N 3.16Å; Q691-Q694 PolarHBondContact O-N 2.96Å; Q691-Q694 VanDerWaalsContact O-N 3.17Å; I692-Q694 PolarHBondContact O-N 3.36Å; Q694-S697 WeakPolarHBondContact O-CB 3.32Å; Q694-S697 PolarHBondContact O-N 3.43Å; Q694-D698 VanDerWaalsContact NE2-CG 3.29Å; Q694-D698 PolarHBondContact NE2-OD1 3.46Å; Q694-D698 PolarHBondContact NE2-OD2 2.97Å; Q694-D698 PolarHBondContact O-N 3.36Å; Q694-A791 HydrophobicContact CG-CB 4.24Å
695	M	97.2	Very high	94.9	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-62.8	-45.6	175.2	-73.8	177.8	78.7	0	0	111.8	V685 Q691 I692 S697 D698 L699 L733 S792 S795 F796 I799	V685-M695 HydrophobicContact CG1-SD 3.98Å; Q691-M695 WeakPolarHBondContact O-CB 3.42Å; Q691-M695 VanDerWaalsContact O-CG 3.29Å; Q691-M695 WeakPolarHBondContact O-CG 3.45Å; Q691-M695 PolarHBondContact O-N 2.96Å; I692-M695 WeakPolarHBondContact O-CB 3.48Å; I692-M695 PolarHBondContact O-N 3.22Å; M695-S697 VanDerWaalsContact C-N 3.31Å; M695-S697 PolarHBondContact O-N 3.41Å; M695-D698 PolarHBondContact O-N 3.03Å; M695-L699 WeakPolarHBondContact O-CB 3.37Å; M695-L699 PolarHBondContact O-N 3.09Å; M695-L733 HydrophobicContact CB-CD2 4Å; M695-S792 VanDerWaalsContact CG-CB 3.5Å; M695-S795 WeakPolarHBondContact SD-CB 3.36Å; M695-F796 HydrophobicContact CB-CE2 3.7Å; M695-F796 HydrophobicContact CB-CZ 3.66Å; M695-F796 HydrophobicContact CE-CD1 3.64Å; M695-F796 HydrophobicContact CE-CD2 4.01Å; M695-F796 HydrophobicContact CE-CE1 3.6Å; M695-F796 HydrophobicContact CE-CE2 4Å; M695-F796 HydrophobicContact CE-CG 3.82Å; M695-F796 HydrophobicContact CE-CZ 3.77Å; M695-F796 HydrophobicContact CG-CD2 4.25Å; M695-F796 HydrophobicContact CG-CE2 3.81Å; M695-F796 HydrophobicContact CG-CZ 4.1Å; M695-F796 WeakPolarHBondContact O-CE2 3.35Å; M695-F796 WeakPolarHBondContact O-CZ 3.39Å; M695-I799 HydrophobicContact CE-CD1 3.71Å
696	L	96.1	Very high	94.7	Very high	23 Å²	23	53.2 Å²	53.2	12%	0.12	29%	0.293	C	S	.	.	H	α-helix	trans	-60.4	-40.8	174.2	-72.5	160.3	0	0	0	111.9	I692 N700 L733 Q734	I692-L696 HydrophobicContact CG2-CD1 4.02Å; I692-L696 WeakPolarHBondContact O-CG 3.37Å; I692-L696 PolarHBondContact O-N 3.26Å; L696-N700 WeakPolarHBondContact O-CB 3.38Å; L696-N700 VanDerWaalsContact O-CG 3.28Å; L696-N700 PolarHBondContact O-N 3.09Å; L696-N700 PolarHBondContact O-ND2 3.21Å; L696-N700 VanDerWaalsContact O-ND2 3.12Å; L696-L733 HydrophobicContact CD1-CG 4.45Å; L696-L733 HydrophobicContact CD2-CB 4Å; L696-L733 HydrophobicContact CD2-CD2 3.77Å; L696-L733 HydrophobicContact CD2-CG 3.85Å; L696-L733 HydrophobicContact CG-CD2 3.82Å; L696-L733 HydrophobicContact CG-CG 3.87Å; L696-Q734 HydrophobicContact CD1-CB 4.34Å; L696-Q734 HydrophobicContact CD2-CB 4.27Å
697	S	96.5	Very high	94.6	Very high	62 Å²	62	52.8 Å²	52.8	43%	0.434	29%	0.29	S	S	.	.	H	α-helix	trans	-63.2	-47.6	177.1	-170.7	0	0	0	0	112.3	N693 Q694 M695 R701	N693-S697 WeakPolarHBondContact O-CB 3.39Å; N693-S697 PolarHBondContact O-N 2.92Å; Q694-S697 WeakPolarHBondContact O-CB 3.32Å; Q694-S697 PolarHBondContact O-N 3.43Å; M695-S697 VanDerWaalsContact C-N 3.31Å; M695-S697 PolarHBondContact O-N 3.41Å; S697-R701 WeakPolarHBondContact O-CG 3.38Å
698	D	96.8	Very high	94.4	Very high	4 Å²	4	47.2 Å²	47.2	2%	0.021	26%	0.264	C	S	.	.	H	α-helix	trans	-69.8	-37.2	177.5	-73.1	-42.2	0	0	0	112.5	Q694 M695 R701 V702 L785 A790 A791 S792	Q694-D698 VanDerWaalsContact NE2-CG 3.29Å; Q694-D698 PolarHBondContact NE2-OD1 3.46Å; Q694-D698 PolarHBondContact NE2-OD2 2.97Å; Q694-D698 PolarHBondContact O-N 3.36Å; M695-D698 PolarHBondContact O-N 3.03Å; D698-R701 WeakPolarHBondContact O-CB 3.35Å; D698-R701 PolarHBondContact O-N 2.93Å; D698-R701 VanDerWaalsContact O-N 3.07Å; D698-R701 IonicContact OD1-NH1 3.64Å; D698-R701 PolarHBondContact OD1-NH1 3.4Å; D698-V702 PolarHBondContact O-N 2.8Å; D698-L785 HydrophobicContact CB-CD2 4.29Å; D698-A790 HydrophobicContact CB-CB 3.86Å; D698-A791 PolarHBondContact OD2-N 3.25Å; D698-A791 VanDerWaalsContact OD2-N 3.13Å; D698-S792 WeakPolarHBondContact CB-OG 3.46Å; D698-S792 WeakPolarHBondContact OD2-CB 3.26Å; D698-S792 PolarHBondContact OD2-N 2.98Å; D698-S792 PolarHBondContact OD2-OG 3.46Å
699	L	95.5	Very high	94	Very high	4 Å²	4	50.3 Å²	50.3	2%	0.021	28%	0.277	C	S	.	.	H	α-helix	trans	-64.8	-38.6	177.2	-170.8	71.4	0	0	0	112.5	M695 R701 V702 F704 F729 K730 L733 F796	M695-L699 WeakPolarHBondContact O-CB 3.37Å; M695-L699 PolarHBondContact O-N 3.09Å; L699-R701 PolarHBondContact O-N 3.42Å; L699-V702 WeakPolarHBondContact O-CB 3.5Å; L699-V702 PolarHBondContact O-N 3.17Å; L699-V702 VanDerWaalsContact O-N 3.12Å; L699-F704 HydrophobicContact CD1-CE2 4.17Å; L699-F704 HydrophobicContact CD1-CZ 3.76Å; L699-F704 HydrophobicContact CG-CE2 4.33Å; L699-F704 HydrophobicContact CG-CZ 4.34Å; L699-F729 HydrophobicContact CD1-CE1 4.39Å; L699-F729 HydrophobicContact CD2-CD1 3.75Å; L699-F729 HydrophobicContact CD2-CE1 3.73Å; L699-K730 HydrophobicContact CD2-CG 3.61Å; L699-K730 HydrophobicContact CG-CG 4.48Å; L699-L733 HydrophobicContact CD2-CD2 4.35Å; L699-F796 HydrophobicContact CB-CZ 3.93Å; L699-F796 HydrophobicContact CD1-CE1 4.06Å; L699-F796 HydrophobicContact CD1-CZ 4.05Å; L699-F796 HydrophobicContact CG-CZ 4.44Å
700	N	94.6	Very high	93.6	Very high	107 Å²	107	50.4 Å²	50.4	57%	0.572	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.5	-4.9	174.9	-72.3	-30.5	0	0	0	113.2	L696 K730	L696-N700 WeakPolarHBondContact O-CB 3.38Å; L696-N700 VanDerWaalsContact O-CG 3.28Å; L696-N700 PolarHBondContact O-N 3.09Å; L696-N700 PolarHBondContact O-ND2 3.21Å; L696-N700 VanDerWaalsContact O-ND2 3.12Å; N700-K730 WeakPolarHBondContact OD1-CE 3.31Å
701	R	95.1	Very high	93.3	Very high	109 Å²	109	47.1 Å²	47.1	41%	0.411	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.1	-7.6	171	-63.2	165.8	63.2	-138.8	-3.4	113	S697 D698 L699 R788	S697-R701 WeakPolarHBondContact O-CG 3.38Å; D698-R701 WeakPolarHBondContact O-CB 3.35Å; D698-R701 PolarHBondContact O-N 2.93Å; D698-R701 VanDerWaalsContact O-N 3.07Å; D698-R701 IonicContact OD1-NH1 3.64Å; D698-R701 PolarHBondContact OD1-NH1 3.4Å; L699-R701 PolarHBondContact O-N 3.42Å; R701-R788 WeakPolarHBondContact O-CD 3.46Å; R701-R788 VanDerWaalsContact O-CZ 3.23Å; R701-R788 PolarHBondContact O-NE 3.23Å; R701-R788 PolarHBondContact O-NH1 2.95Å
702	V	94.6	Very high	92.9	Very high	12 Å²	12	46 Å²	46	7%	0.073	25%	0.246	C	C	.	.	S	Bend	trans	-71.7	135.5	176.1	170.2	0	0	0	0	110	D698 L699 F704 V781 D784 L785	D698-V702 PolarHBondContact O-N 2.8Å; L699-V702 WeakPolarHBondContact O-CB 3.5Å; L699-V702 PolarHBondContact O-N 3.17Å; L699-V702 VanDerWaalsContact O-N 3.12Å; V702-F704 HydrophobicContact CB-CD2 4.04Å; V702-F704 HydrophobicContact CB-CE2 3.64Å; V702-F704 HydrophobicContact CB-CZ 4.15Å; V702-F704 HydrophobicContact CG1-CD1 4.32Å; V702-F704 HydrophobicContact CG1-CD2 3.81Å; V702-F704 HydrophobicContact CG1-CE1 4.13Å; V702-F704 HydrophobicContact CG1-CE2 3.61Å; V702-F704 HydrophobicContact CG1-CG 4.17Å; V702-F704 HydrophobicContact CG1-CZ 3.77Å; V702-F704 PolarHBondContact O-N 3.37Å; V702-V781 HydrophobicContact CG1-CG1 4.45Å; V702-D784 VanDerWaalsContact CA-OD2 3.3Å; V702-D784 WeakPolarHBondContact CA-OD2 3.38Å; V702-D784 HydrophobicContact CG1-CB 4.47Å; V702-D784 WeakPolarHBondContact CG1-OD2 3.28Å; V702-L785 HydrophobicContact CG2-CD2 3.5Å; V702-L785 HydrophobicContact CG2-CG 3.78Å
703	D	92.5	Very high	92.2	Very high	66 Å²	66	55.8 Å²	55.8	35%	0.353	28%	0.283	S	S	.	.			trans	-87.6	83.7	177.1	-171.1	-19.1	0	0	0	110.6	A705 N706 V707 D784	D703-A705 PolarHBondContact O-N 3.47Å; D703-A705 PolarHBondContact OD1-N 3.45Å; D703-N706 HydrophobicContact CB-CB 4.22Å; D703-N706 PolarHBondContact O-N 3.32Å; D703-N706 PolarHBondContact OD1-N 3.05Å; D703-V707 WeakPolarHBondContact O-CG2 3.43Å; D703-V707 PolarHBondContact O-N 3.31Å; D703-D784 PolarHBondContact N-OD2 3.46Å
704	F	91.8	Very high	91.7	Very high	24 Å²	24	56.1 Å²	56.1	11%	0.105	29%	0.288	C	S	.	.	H	α-helix	trans	-64.8	-25.8	179.3	-76.6	-79.6	0	0	0	113.4	L699 V702 Q708 E726 V781	L699-F704 HydrophobicContact CD1-CE2 4.17Å; L699-F704 HydrophobicContact CD1-CZ 3.76Å; L699-F704 HydrophobicContact CG-CE2 4.33Å; L699-F704 HydrophobicContact CG-CZ 4.34Å; V702-F704 HydrophobicContact CB-CD2 4.04Å; V702-F704 HydrophobicContact CB-CE2 3.64Å; V702-F704 HydrophobicContact CB-CZ 4.15Å; V702-F704 HydrophobicContact CG1-CD1 4.32Å; V702-F704 HydrophobicContact CG1-CD2 3.81Å; V702-F704 HydrophobicContact CG1-CE1 4.13Å; V702-F704 HydrophobicContact CG1-CE2 3.61Å; V702-F704 HydrophobicContact CG1-CG 4.17Å; V702-F704 HydrophobicContact CG1-CZ 3.77Å; V702-F704 PolarHBondContact O-N 3.37Å; F704-Q708 WeakPolarHBondContact O-CB 3.39Å; F704-Q708 PolarHBondContact O-N 3.01Å; F704-E726 VanDerWaalsContact CB-OE2 3.26Å; F704-E726 WeakPolarHBondContact CB-OE2 3.39Å; F704-E726 HydrophobicContact CD1-CG 3.85Å; F704-E726 HydrophobicContact CD2-CG 4.14Å; F704-E726 WeakPolarHBondContact CD2-OE1 3.44Å; F704-E726 HydrophobicContact CE1-CG 3.81Å; F704-E726 HydrophobicContact CE2-CG 4.09Å; F704-E726 HydrophobicContact CG-CG 4.02Å; F704-E726 VanDerWaalsContact CG-OE2 3.26Å; F704-E726 WeakPolarHBondContact CG-OE2 3.32Å; F704-E726 HydrophobicContact CZ-CG 3.93Å; F704-V781 HydrophobicContact CE1-CG1 4.48Å; F704-V781 HydrophobicContact CE1-CG2 4.02Å; F704-V781 HydrophobicContact CZ-CG1 4.49Å
705	A	90.4	Very high	91	Very high	69 Å²	69	53 Å²	53	57%	0.57	28%	0.275	S	S	*	.	H	α-helix	trans	-68	-49.1	176.1	0	0	0	0	0	110.8	D703 Q708 E709	D703-A705 PolarHBondContact O-N 3.47Å; D703-A705 PolarHBondContact OD1-N 3.45Å; A705-Q708 PolarHBondContact O-N 3.37Å; A705-E709 WeakPolarHBondContact O-CB 3.35Å; A705-E709 PolarHBondContact O-N 2.95Å
706	N	90.2	Very high	90.3	Very high	47 Å²	47	62.9 Å²	62.9	25%	0.251	31%	0.312	S	S	.	.	H	α-helix	trans	-66	-35.4	174.6	167.1	69.6	0	0	0	112.7	D703 Q710	D703-N706 HydrophobicContact CB-CB 4.22Å; D703-N706 PolarHBondContact O-N 3.32Å; D703-N706 PolarHBondContact OD1-N 3.05Å; N706-Q710 PolarHBondContact ND2-NE2 2.9Å; N706-Q710 VanDerWaalsContact O-CG 3.32Å; N706-Q710 WeakPolarHBondContact O-CG 3.41Å; N706-Q710 PolarHBondContact O-N 3.36Å; N706-Q710 VanDerWaalsContact O-N 3.09Å; N706-Q710 PolarHBondContact OD1-NE2 3.12Å
707	V	91.5	Very high	89.7	Confident	0 Å²	0	63.7 Å²	63.7	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-64.9	-44.7	172.8	171.1	0	0	0	0	111	D703 A711 Y777 M780 V781 D784	D703-V707 WeakPolarHBondContact O-CG2 3.43Å; D703-V707 PolarHBondContact O-N 3.31Å; V707-A711 WeakPolarHBondContact O-CB 3.34Å; V707-A711 PolarHBondContact O-N 3.47Å; V707-Y777 HydrophobicContact CG1-CE1 4.1Å; V707-Y777 HydrophobicContact CG1-CE2 4.15Å; V707-M780 HydrophobicContact CG1-CB 3.89Å; V707-V781 HydrophobicContact CG1-CG2 4.11Å; V707-D784 HydrophobicContact CG2-CB 4.31Å
708	Q	89.2	Confident	89.1	Confident	30 Å²	30	66.2 Å²	66.2	14%	0.14	32%	0.324	C	S	.	.	H	α-helix	trans	-64.4	-44.8	177.6	-177.2	178.1	-10.7	0	0	111.6	F704 A705 A711 S712 D719 V722	F704-Q708 WeakPolarHBondContact O-CB 3.39Å; F704-Q708 PolarHBondContact O-N 3.01Å; A705-Q708 PolarHBondContact O-N 3.37Å; Q708-A711 PolarHBondContact O-N 3.45Å; Q708-S712 WeakPolarHBondContact O-CB 3.41Å; Q708-S712 PolarHBondContact O-N 3.01Å; Q708-D719 PolarHBondContact NE2-OD1 3.13Å; Q708-V722 HydrophobicContact CG-CG1 4.45Å
709	E	88.3	Confident	88.6	Confident	123 Å²	123	70 Å²	70	58%	0.575	34%	0.344	S	S	*	.	H	α-helix	trans	-56.8	-55.6	176.4	-176.1	-177.4	179.1	0	0	110.8	A705 A711 S712	A705-E709 WeakPolarHBondContact O-CB 3.35Å; A705-E709 PolarHBondContact O-N 2.95Å; E709-A711 VanDerWaalsContact C-N 3.28Å; E709-A711 PolarHBondContact O-N 2.96Å; E709-S712 PolarHBondContact O-N 2.82Å; E709-S712 PolarHBondContact O-OG 3.47Å
710	Q	87.2	Confident	88.2	Confident	69 Å²	69	78.4 Å²	78.4	32%	0.322	38%	0.376	S	S	.	.	H	α-helix	trans	-63.8	-33.6	-179.4	-64.7	-177.8	26.4	0	0	112.5	N706 M780	N706-Q710 PolarHBondContact ND2-NE2 2.9Å; N706-Q710 VanDerWaalsContact O-CG 3.32Å; N706-Q710 WeakPolarHBondContact O-CG 3.41Å; N706-Q710 PolarHBondContact O-N 3.36Å; N706-Q710 VanDerWaalsContact O-N 3.09Å; N706-Q710 PolarHBondContact OD1-NE2 3.12Å; Q710-M780 HydrophobicContact CB-CE 3.55Å; Q710-M780 HydrophobicContact CB-SD 4.39Å; Q710-M780 HydrophobicContact CG-CE 4.46Å
711	A	88.6	Confident	87.8	Confident	3 Å²	3	75 Å²	75	3%	0.025	36%	0.359	C	S	.	.	H	α-helix	trans	-77.1	-25.4	177.9	0	0	0	0	0	114.1	V707 Q708 E709 W713 V714 C715 F776 Y777 M780	V707-A711 WeakPolarHBondContact O-CB 3.34Å; V707-A711 PolarHBondContact O-N 3.47Å; Q708-A711 PolarHBondContact O-N 3.45Å; E709-A711 VanDerWaalsContact C-N 3.28Å; E709-A711 PolarHBondContact O-N 2.96Å; A711-W713 VanDerWaalsContact C-N 3.35Å; A711-W713 PolarHBondContact O-N 3.22Å; A711-V714 PolarHBondContact O-N 2.92Å; A711-C715 PolarHBondContact O-N 3.3Å; A711-F776 HydrophobicContact CB-CE1 4.18Å; A711-Y777 HydrophobicContact CB-CD2 3.51Å; A711-Y777 HydrophobicContact CB-CE2 3.67Å; A711-M780 HydrophobicContact CB-SD 3.93Å
712	S	85.9	Confident	87.5	Confident	47 Å²	47	70.4 Å²	70.4	33%	0.329	34%	0.343	S	S	.	.	H	α-helix	trans	-60	-44.3	179.5	72.8	0	0	0	0	111.8	Q708 E709 V714 R716	Q708-S712 WeakPolarHBondContact O-CB 3.41Å; Q708-S712 PolarHBondContact O-N 3.01Å; E709-S712 PolarHBondContact O-N 2.82Å; E709-S712 PolarHBondContact O-OG 3.47Å; S712-V714 VanDerWaalsContact C-N 3.33Å; S712-V714 PolarHBondContact O-N 3.25Å; S712-R716 WeakPolarHBondContact O-CA 3.47Å; S712-R716 WeakPolarHBondContact O-CG 3.22Å; S712-R716 PolarHBondContact O-N 3.1Å
713	W	81.3	Confident	87.3	Confident	207 Å²	207	74.4 Å²	74.4	78%	0.784	36%	0.36	S	S	*	.	H	α-helix	trans	-57.9	-40.3	177.9	-73.7	98.5	0	0	0	113.5	A711	A711-W713 VanDerWaalsContact C-N 3.35Å; A711-W713 PolarHBondContact O-N 3.22Å
714	V	85.3	Confident	87.3	Confident	97 Å²	97	76.3 Å²	76.3	59%	0.588	36%	0.363	S	S	*	.	H	α-helix	trans	-91.7	-54.9	-174.1	-178	0	0	0	0	111.7	A711 S712 F776	A711-V714 PolarHBondContact O-N 2.92Å; S712-V714 VanDerWaalsContact C-N 3.33Å; S712-V714 PolarHBondContact O-N 3.25Å; V714-F776 HydrophobicContact CB-CE1 3.94Å; V714-F776 HydrophobicContact CB-CE2 4.34Å; V714-F776 HydrophobicContact CB-CZ 3.77Å; V714-F776 HydrophobicContact CG1-CD2 4.26Å; V714-F776 HydrophobicContact CG1-CE1 4.15Å; V714-F776 HydrophobicContact CG1-CE2 3.87Å; V714-F776 HydrophobicContact CG1-CZ 3.81Å; V714-F776 HydrophobicContact CG2-CE1 4.34Å; V714-F776 HydrophobicContact CG2-CE2 4.39Å; V714-F776 HydrophobicContact CG2-CZ 3.77Å
715	C	83.4	Confident	87.3	Confident	11 Å²	11	76.7 Å²	76.7	7%	0.074	37%	0.366	C	S	.	.	H	α-helix	trans	-91.4	-22.1	-170.2	-76.5	0	0	0	0	113.9	A711 C717 K773 F776	A711-C715 PolarHBondContact O-N 3.3Å; C715-C717 VanDerWaalsContact C-N 3.31Å; C715-C717 PolarHBondContact O-N 2.87Å; C715-K773 HydrophobicContact CB-CB 4.42Å; C715-K773 HydrophobicContact CB-CD 4.36Å; C715-K773 HydrophobicContact CB-CG 4.03Å; C715-K773 WeakPolarHBondContact O-CD 3.27Å; C715-K773 WeakPolarHBondContact O-CE 3.35Å; C715-K773 PolarHBondContact O-NZ 3.23Å; C715-F776 WeakPolarHBondContact SG-CD1 3.25Å
716	R	82.5	Confident	87.4	Confident	206 Å²	206	75.6 Å²	75.6	78%	0.777	35%	0.349	S	S	*	.			trans	43.2	58.3	-172.1	-57.8	-176.3	-173.9	-173.3	2.3	111.2	S712 K773	S712-R716 WeakPolarHBondContact O-CA 3.47Å; S712-R716 WeakPolarHBondContact O-CG 3.22Å; S712-R716 PolarHBondContact O-N 3.1Å; R716-K773 PolarHBondContact O-NZ 2.88Å
717	C	82.1	Confident	87.5	Confident	40 Å²	40	79.8 Å²	79.8	27%	0.27	37%	0.367	S	S	.	.			trans	-79.1	151	170.5	-65.1	0	0	0	0	109.2	C715 D719 V722	C715-C717 VanDerWaalsContact C-N 3.31Å; C715-C717 PolarHBondContact O-N 2.87Å; C717-D719 PolarHBondContact O-N 2.94Å; C717-V722 HydrophobicContact CB-CG2 3.54Å
718	E	84.7	Confident	87.6	Confident	115 Å²	115	82 Å²	82	54%	0.537	38%	0.379	S	S	.	.			trans	-72.6	124.1	170.3	-173.2	-169.3	164.7	0	0	109.4	R720 V721 V722	E718-R720 HydrophobicContact CG-CB 4.29Å; E718-R720 PolarHBondContact O-N 3.23Å; E718-R720 VanDerWaalsContact O-N 3.15Å; E718-R720 WeakPolarHBondContact OE1-CB 3.32Å; E718-R720 WeakPolarHBondContact OE1-CD 3.25Å; E718-V721 HydrophobicContact CB-CB 4.36Å; E718-V721 HydrophobicContact CB-CG2 4.02Å; E718-V721 HydrophobicContact CG-CG2 4.5Å; E718-V721 WeakPolarHBondContact O-CB 3.43Å; E718-V721 PolarHBondContact O-N 3.13Å; E718-V722 PolarHBondContact O-N 3.36Å; E718-V722 VanDerWaalsContact O-N 3.08Å
719	D	85.4	Confident	87.8	Confident	83 Å²	83	82.1 Å²	82.1	44%	0.444	38%	0.379	S	S	.	.	H	α-helix	trans	-50.1	-41.5	-178.8	-62.1	-39.2	0	0	0	113	Q708 C717 V721 V722 Q723	Q708-D719 PolarHBondContact NE2-OD1 3.13Å; C717-D719 PolarHBondContact O-N 2.94Å; D719-V721 VanDerWaalsContact C-N 3.32Å; D719-V721 PolarHBondContact O-N 2.91Å; D719-V722 PolarHBondContact O-N 3.11Å; D719-Q723 WeakPolarHBondContact O-CB 3.3Å; D719-Q723 VanDerWaalsContact O-CG 3.27Å; D719-Q723 WeakPolarHBondContact O-CG 3.44Å; D719-Q723 PolarHBondContact O-N 2.62Å
720	R	87.2	Confident	88	Confident	182 Å²	182	78.5 Å²	78.5	69%	0.687	36%	0.361	S	S	*	.	H	α-helix	trans	-66.4	-31.1	179.5	-64.1	175.8	169.2	-178.1	-2.3	113.2	E718 R724	E718-R720 HydrophobicContact CG-CB 4.29Å; E718-R720 PolarHBondContact O-N 3.23Å; E718-R720 VanDerWaalsContact O-N 3.15Å; E718-R720 WeakPolarHBondContact OE1-CB 3.32Å; E718-R720 WeakPolarHBondContact OE1-CD 3.25Å; R720-R724 WeakPolarHBondContact O-CB 3.46Å; R720-R724 PolarHBondContact O-N 3.2Å
721	V	87.4	Confident	88.3	Confident	35 Å²	35	79 Å²	79	21%	0.212	37%	0.366	C	S	.	.	H	α-helix	trans	-74.7	-45.6	174.7	176.7	0	0	0	0	109.2	E718 D719 Q723 R724 L725 V753	E718-V721 HydrophobicContact CB-CB 4.36Å; E718-V721 HydrophobicContact CB-CG2 4.02Å; E718-V721 HydrophobicContact CG-CG2 4.5Å; E718-V721 WeakPolarHBondContact O-CB 3.43Å; E718-V721 PolarHBondContact O-N 3.13Å; D719-V721 VanDerWaalsContact C-N 3.32Å; D719-V721 PolarHBondContact O-N 2.91Å; V721-Q723 PolarHBondContact O-N 3.2Å; V721-R724 PolarHBondContact O-N 3.44Å; V721-L725 HydrophobicContact CG1-CD1 4.03Å; V721-L725 HydrophobicContact CG1-CG 4.38Å; V721-L725 VanDerWaalsContact O-CG 3.28Å; V721-L725 WeakPolarHBondContact O-CG 3.5Å; V721-L725 PolarHBondContact O-N 3.3Å; V721-V753 HydrophobicContact CG1-CG2 4.47Å
722	V	88.8	Confident	88.5	Confident	13 Å²	13	79.5 Å²	79.5	8%	0.079	37%	0.369	C	S	.	.	H	α-helix	trans	-57.9	-49.8	177.6	175.1	0	0	0	0	111.4	Q708 C717 E718 D719 R724 L725 E726 Y777	Q708-V722 HydrophobicContact CG-CG1 4.45Å; C717-V722 HydrophobicContact CB-CG2 3.54Å; E718-V722 PolarHBondContact O-N 3.36Å; E718-V722 VanDerWaalsContact O-N 3.08Å; D719-V722 PolarHBondContact O-N 3.11Å; V722-R724 PolarHBondContact O-N 3.01Å; V722-L725 PolarHBondContact O-N 3.06Å; V722-E726 PolarHBondContact O-N 3.46Å; V722-Y777 HydrophobicContact CG1-CE1 4.16Å; V722-Y777 HydrophobicContact CG1-CE2 3.76Å; V722-Y777 VanDerWaalsContact CG1-CZ 3.42Å; V722-Y777 WeakPolarHBondContact CG1-OH 3.45Å; V722-Y777 HydrophobicContact CG2-CE2 4.37Å
723	Q	89.9	Confident	88.8	Confident	95 Å²	95	77.3 Å²	77.3	44%	0.444	35%	0.353	S	S	.	.	H	α-helix	trans	-64.8	-37.4	-180	-71	168	0.8	0	0	112.4	D719 V721 Q727	D719-Q723 WeakPolarHBondContact O-CB 3.3Å; D719-Q723 VanDerWaalsContact O-CG 3.27Å; D719-Q723 WeakPolarHBondContact O-CG 3.44Å; D719-Q723 PolarHBondContact O-N 2.62Å; V721-Q723 PolarHBondContact O-N 3.2Å; Q723-Q727 WeakPolarHBondContact O-CB 3.36Å; Q723-Q727 PolarHBondContact O-N 2.88Å
724	R	91.6	Very high	89.4	Confident	106 Å²	106	73.9 Å²	73.9	40%	0.4	35%	0.346	S	S	.	.	H	α-helix	trans	-62.1	-48.6	171.8	-178.7	-177.6	-61	133.5	10.2	111.4	R720 V721 V722 E726 Q727 D728	R720-R724 WeakPolarHBondContact O-CB 3.46Å; R720-R724 PolarHBondContact O-N 3.2Å; V721-R724 PolarHBondContact O-N 3.44Å; V722-R724 PolarHBondContact O-N 3.01Å; R724-E726 VanDerWaalsContact C-N 3.3Å; R724-E726 PolarHBondContact O-N 3.16Å; R724-Q727 PolarHBondContact O-N 2.86Å; R724-D728 WeakPolarHBondContact CG-OD2 3.46Å; R724-D728 WeakPolarHBondContact O-CB 3.46Å; R724-D728 VanDerWaalsContact O-CG 3.23Å; R724-D728 PolarHBondContact O-N 3.31Å
725	L	92.6	Very high	89.8	Confident	33 Å²	33	74.3 Å²	74.3	17%	0.173	34%	0.341	C	S	.	.	H	α-helix	trans	-62.8	-36.5	-179	-67.4	176.2	0	0	0	112.4	V721 V722 F729 W745 V749	V721-L725 HydrophobicContact CG1-CD1 4.03Å; V721-L725 HydrophobicContact CG1-CG 4.38Å; V721-L725 VanDerWaalsContact O-CG 3.28Å; V721-L725 WeakPolarHBondContact O-CG 3.5Å; V721-L725 PolarHBondContact O-N 3.3Å; V722-L725 PolarHBondContact O-N 3.06Å; L725-F729 WeakPolarHBondContact O-CB 3.47Å; L725-F729 PolarHBondContact O-N 2.94Å; L725-W745 HydrophobicContact CD2-CZ2 4.11Å; L725-V749 HydrophobicContact CD1-CG1 4.37Å; L725-V749 HydrophobicContact CD2-CB 4.15Å; L725-V749 HydrophobicContact CD2-CG1 3.67Å; L725-V749 HydrophobicContact CD2-CG2 3.34Å
726	E	91.9	Very high	90.2	Very high	45 Å²	45	78 Å²	78	21%	0.21	36%	0.357	C	S	.	.	H	α-helix	trans	-63.6	-48.3	172.1	-171.4	-159.7	138.7	0	0	111.8	F704 V722 R724 F729 K730	F704-E726 VanDerWaalsContact CB-OE2 3.26Å; F704-E726 WeakPolarHBondContact CB-OE2 3.39Å; F704-E726 HydrophobicContact CD1-CG 3.85Å; F704-E726 HydrophobicContact CD2-CG 4.14Å; F704-E726 WeakPolarHBondContact CD2-OE1 3.44Å; F704-E726 HydrophobicContact CE1-CG 3.81Å; F704-E726 HydrophobicContact CE2-CG 4.09Å; F704-E726 HydrophobicContact CG-CG 4.02Å; F704-E726 VanDerWaalsContact CG-OE2 3.26Å; F704-E726 WeakPolarHBondContact CG-OE2 3.32Å; F704-E726 HydrophobicContact CZ-CG 3.93Å; V722-E726 PolarHBondContact O-N 3.46Å; R724-E726 VanDerWaalsContact C-N 3.3Å; R724-E726 PolarHBondContact O-N 3.16Å; E726-F729 PolarHBondContact O-N 2.95Å; E726-K730 HydrophobicContact CG-CD 4.3Å; E726-K730 WeakPolarHBondContact O-CB 3.37Å; E726-K730 WeakPolarHBondContact O-CG 3.45Å; E726-K730 PolarHBondContact O-N 3Å; E726-K730 WeakPolarHBondContact OE1-CE 3.37Å; E726-K730 IonicContact OE1-NZ 2.74Å; E726-K730 PolarHBondContact OE1-NZ 3.06Å
727	Q	92.6	Very high	90.7	Very high	135 Å²	135	69.2 Å²	69.2	63%	0.631	33%	0.326	S	S	*	.	H	α-helix	trans	-64.3	-45.2	-179.6	-174.4	174.2	14.2	0	0	111.9	Q723 R724 K730 L731	Q723-Q727 WeakPolarHBondContact O-CB 3.36Å; Q723-Q727 PolarHBondContact O-N 2.88Å; R724-Q727 PolarHBondContact O-N 2.86Å; Q727-K730 PolarHBondContact O-N 3.42Å; Q727-L731 WeakPolarHBondContact O-CB 3.44Å; Q727-L731 PolarHBondContact O-N 2.95Å
728	D	93.9	Very high	91.3	Very high	48 Å²	48	69.4 Å²	69.4	26%	0.257	33%	0.328	S	S	.	.	H	α-helix	trans	-64.2	-42.1	177.7	-68.6	-11.4	0	0	0	111.2	R724 L731 T732 W745	R724-D728 WeakPolarHBondContact CG-OD2 3.46Å; R724-D728 WeakPolarHBondContact O-CB 3.46Å; R724-D728 VanDerWaalsContact O-CG 3.23Å; R724-D728 PolarHBondContact O-N 3.31Å; D728-L731 PolarHBondContact O-N 3.07Å; D728-T732 VanDerWaalsContact O-CB 3.25Å; D728-T732 WeakPolarHBondContact O-CB 3.48Å; D728-T732 PolarHBondContact O-N 3.01Å; D728-T732 PolarHBondContact O-OG1 3.43Å; D728-W745 HydrophobicContact CB-CZ2 4.02Å; D728-W745 VanDerWaalsContact CB-NE1 3.3Å
729	F	93.8	Very high	91.8	Very high	32 Å²	32	64.3 Å²	64.3	14%	0.14	30%	0.304	C	S	.	.	H	α-helix	trans	-63.2	-45.5	175.8	-178.2	-83	0	0	0	111.2	L699 L725 E726 L731 T732 L733 W742 W745 F796 Y803	L699-F729 HydrophobicContact CD1-CE1 4.39Å; L699-F729 HydrophobicContact CD2-CD1 3.75Å; L699-F729 HydrophobicContact CD2-CE1 3.73Å; L725-F729 WeakPolarHBondContact O-CB 3.47Å; L725-F729 PolarHBondContact O-N 2.94Å; E726-F729 PolarHBondContact O-N 2.95Å; F729-L731 PolarHBondContact O-N 2.99Å; F729-T732 PolarHBondContact O-N 3.19Å; F729-L733 HydrophobicContact CE1-CD2 4.02Å; F729-L733 VanDerWaalsContact O-CB 3.3Å; F729-L733 WeakPolarHBondContact O-CB 3.33Å; F729-L733 PolarHBondContact O-N 3.41Å; F729-W742 HydrophobicContact CD1-CH2 4.47Å; F729-W742 AromaticContact CD2-CH2 3.66Å; F729-W742 HydrophobicContact CD2-CH2 3.66Å; F729-W742 AromaticContact CD2-CZ3 3.45Å; F729-W742 HydrophobicContact CD2-CZ3 3.45Å; F729-W742 VanDerWaalsContact CD2-CZ3 3.45Å; F729-W742 HydrophobicContact CE1-CH2 4.47Å; F729-W742 AromaticContact CE2-CH2 3.65Å; F729-W742 HydrophobicContact CE2-CH2 3.65Å; F729-W742 AromaticContact CE2-CZ3 3.7Å; F729-W742 HydrophobicContact CE2-CZ3 3.7Å; F729-W742 HydrophobicContact CG-CH2 4.08Å; F729-W742 HydrophobicContact CG-CZ3 4.13Å; F729-W742 HydrophobicContact CZ-CH2 4.07Å; F729-W742 WeakPolarHBondContact O-CH2 3.42Å; F729-W745 HydrophobicContact CB-CH2 3.92Å; F729-W745 HydrophobicContact CB-CZ2 4.22Å; F729-W745 AromaticContact CD2-CH2 3.97Å; F729-W745 HydrophobicContact CD2-CH2 3.97Å; F729-W745 HydrophobicContact CD2-CZ3 4.06Å; F729-W745 HydrophobicContact CG-CH2 4.45Å; F729-F796 AromaticContact CE1-CE1 3.96Å; F729-F796 HydrophobicContact CE1-CE1 3.96Å; F729-F796 HydrophobicContact CZ-CE1 4Å; F729-Y803 HydrophobicContact CD2-CE2 4.29Å; F729-Y803 AromaticContact CE2-CE2 3.85Å; F729-Y803 HydrophobicContact CE2-CE2 3.85Å
730	K	92.8	Very high	92.3	Very high	47 Å²	47	64.1 Å²	64.1	20%	0.204	30%	0.3	C	S	.	.	H	α-helix	trans	-58.2	-46	174.9	-80.8	173.2	173.1	176.1	0	111.6	L699 N700 E726 Q727 Q734	L699-K730 HydrophobicContact CD2-CG 3.61Å; L699-K730 HydrophobicContact CG-CG 4.48Å; N700-K730 WeakPolarHBondContact OD1-CE 3.31Å; E726-K730 HydrophobicContact CG-CD 4.3Å; E726-K730 WeakPolarHBondContact O-CB 3.37Å; E726-K730 WeakPolarHBondContact O-CG 3.45Å; E726-K730 PolarHBondContact O-N 3Å; E726-K730 WeakPolarHBondContact OE1-CE 3.37Å; E726-K730 IonicContact OE1-NZ 2.74Å; E726-K730 PolarHBondContact OE1-NZ 3.06Å; Q727-K730 PolarHBondContact O-N 3.42Å; K730-Q734 WeakPolarHBondContact O-CB 3.34Å; K730-Q734 PolarHBondContact O-N 3.23Å
731	L	93.5	Very high	92.7	Very high	80 Å²	80	60 Å²	60	42%	0.419	29%	0.289	S	S	.	.	H	α-helix	trans	-65.2	-46.2	178.9	-178.7	62.2	0	0	0	112.2	Q727 D728 F729 L733 Q734 Q735	Q727-L731 WeakPolarHBondContact O-CB 3.44Å; Q727-L731 PolarHBondContact O-N 2.95Å; D728-L731 PolarHBondContact O-N 3.07Å; F729-L731 PolarHBondContact O-N 2.99Å; L731-L733 VanDerWaalsContact C-N 3.31Å; L731-L733 PolarHBondContact O-N 2.82Å; L731-Q734 PolarHBondContact O-N 3.2Å; L731-Q735 HydrophobicContact CD1-CG 4.34Å; L731-Q735 WeakPolarHBondContact O-CB 3.45Å; L731-Q735 VanDerWaalsContact O-CG 3.3Å; L731-Q735 WeakPolarHBondContact O-CG 3.36Å; L731-Q735 PolarHBondContact O-N 3.41Å
732	T	92.4	Very high	93.1	Very high	13 Å²	13	58.4 Å²	58.4	8%	0.08	28%	0.279	C	S	.	.	H	α-helix	trans	-64.8	-36.6	-178.8	-55.2	0	0	0	0	111.3	D728 F729 N737 W742	D728-T732 VanDerWaalsContact O-CB 3.25Å; D728-T732 WeakPolarHBondContact O-CB 3.48Å; D728-T732 PolarHBondContact O-N 3.01Å; D728-T732 PolarHBondContact O-OG1 3.43Å; F729-T732 PolarHBondContact O-N 3.19Å; T732-N737 HydrophobicContact CG2-CB 3.88Å; T732-N737 PolarHBondContact O-N 3.5Å; T732-W742 HydrophobicContact CG2-CD2 3.45Å; T732-W742 VanDerWaalsContact CG2-CD2 3.45Å; T732-W742 HydrophobicContact CG2-CE3 3.43Å; T732-W742 VanDerWaalsContact CG2-CE3 3.43Å; T732-W742 HydrophobicContact CG2-CG 4.17Å; T732-W742 HydrophobicContact CG2-CH2 3.82Å; T732-W742 HydrophobicContact CG2-CZ2 3.8Å; T732-W742 HydrophobicContact CG2-CZ3 3.61Å
733	L	92.1	Very high	93.5	Very high	1 Å²	1	58 Å²	58	1%	0.005	28%	0.278	C	S	.	.	H	α-helix	trans	-70.5	-41.4	172.8	-171.4	63.8	0	0	0	112.1	I692 M695 L696 L699 F729 L731 Q735 Q736 W742	I692-L733 HydrophobicContact CG1-CD1 4.4Å; I692-L733 HydrophobicContact CG2-CD1 3.85Å; I692-L733 HydrophobicContact CG2-CG 4.06Å; I692-L733 VanDerWaalsContact CG2-O 3.25Å; I692-L733 WeakPolarHBondContact CG2-O 3.44Å; M695-L733 HydrophobicContact CB-CD2 4Å; L696-L733 HydrophobicContact CD1-CG 4.45Å; L696-L733 HydrophobicContact CD2-CB 4Å; L696-L733 HydrophobicContact CD2-CD2 3.77Å; L696-L733 HydrophobicContact CD2-CG 3.85Å; L696-L733 HydrophobicContact CG-CD2 3.82Å; L696-L733 HydrophobicContact CG-CG 3.87Å; L699-L733 HydrophobicContact CD2-CD2 4.35Å; F729-L733 HydrophobicContact CE1-CD2 4.02Å; F729-L733 VanDerWaalsContact O-CB 3.3Å; F729-L733 WeakPolarHBondContact O-CB 3.33Å; F729-L733 PolarHBondContact O-N 3.41Å; L731-L733 VanDerWaalsContact C-N 3.31Å; L731-L733 PolarHBondContact O-N 2.82Å; L733-Q735 VanDerWaalsContact C-N 3.32Å; L733-Q735 PolarHBondContact O-N 3.18Å; L733-Q736 PolarHBondContact O-N 3.5Å; L733-W742 HydrophobicContact CB-CH2 3.93Å; L733-W742 HydrophobicContact CB-CZ2 3.81Å; L733-W742 HydrophobicContact CD1-CZ2 4.01Å
734	Q	93.3	Very high	93.8	Very high	134 Å²	134	58.7 Å²	58.7	63%	0.626	29%	0.288	S	S	*	.	H	α-helix	trans	-64.5	-34.5	176.6	-173.3	178.5	6.2	0	0	113	L696 K730 L731 Q736	L696-Q734 HydrophobicContact CD1-CB 4.34Å; L696-Q734 HydrophobicContact CD2-CB 4.27Å; K730-Q734 WeakPolarHBondContact O-CB 3.34Å; K730-Q734 PolarHBondContact O-N 3.23Å; L731-Q734 PolarHBondContact O-N 3.2Å; Q734-Q736 PolarHBondContact O-N 3.34Å
735	Q	93.6	Very high	94	Very high	106 Å²	106	55.4 Å²	55.4	50%	0.495	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.2	-9.7	176.4	-73.1	173.6	-3.8	0	0	113.6	L731 L733 N737	L731-Q735 HydrophobicContact CD1-CG 4.34Å; L731-Q735 WeakPolarHBondContact O-CB 3.45Å; L731-Q735 VanDerWaalsContact O-CG 3.3Å; L731-Q735 WeakPolarHBondContact O-CG 3.36Å; L731-Q735 PolarHBondContact O-N 3.41Å; L733-Q735 VanDerWaalsContact C-N 3.32Å; L733-Q735 PolarHBondContact O-N 3.18Å; Q735-N737 WeakPolarHBondContact CB-OD1 3.37Å; Q735-N737 PolarHBondContact O-N 2.92Å; Q735-N737 PolarHBondContact OE1-ND2 2.91Å
736	Q	92	Very high	94.2	Very high	89 Å²	89	54 Å²	54	42%	0.416	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.7	38.7	-173	-60.8	175.8	73.5	0	0	112.5	T689 I692 L733 Q734	T689-Q736 VanDerWaalsContact CB-OE1 3.29Å; T689-Q736 PolarHBondContact OG1-OE1 3.2Å; I692-Q736 HydrophobicContact CD1-CB 4.26Å; I692-Q736 HydrophobicContact CD1-CG 3.97Å; I692-Q736 HydrophobicContact CG2-CG 4.11Å; L733-Q736 PolarHBondContact O-N 3.5Å; Q734-Q736 PolarHBondContact O-N 3.34Å
737	N	92.6	Very high	94.4	Very high	22 Å²	22	54.1 Å²	54.1	12%	0.118	27%	0.27	C	S	.	.			trans	-63.1	143.9	-177.7	-76.1	-23.3	0	0	0	112	T732 Q735 Q741 W742	T732-N737 HydrophobicContact CG2-CB 3.88Å; T732-N737 PolarHBondContact O-N 3.5Å; Q735-N737 WeakPolarHBondContact CB-OD1 3.37Å; Q735-N737 PolarHBondContact O-N 2.92Å; Q735-N737 PolarHBondContact OE1-ND2 2.91Å; N737-Q741 HydrophobicContact CB-CB 3.93Å; N737-Q741 PolarHBondContact OD1-NE2 2.94Å; N737-W742 VanDerWaalsContact O-CD1 3.22Å; N737-W742 PolarHBondContact O-NE1 2.99Å; N737-W742 VanDerWaalsContact O-NE1 3.15Å
738	S	94.9	Very high	94.6	Very high	44 Å²	44	49.5 Å²	49.5	31%	0.308	26%	0.259	S	S	.	.			trans	-67.6	161.6	-179	88.8	0	0	0	0	111.9	E740 Q741 W742	S738-E740 WeakPolarHBondContact CB-OE2 3.26Å; S738-E740 PolarHBondContact O-N 3.01Å; S738-E740 VanDerWaalsContact O-N 3.17Å; S738-E740 PolarHBondContact OG-N 3.22Å; S738-E740 PolarHBondContact OG-OE2 3.38Å; S738-Q741 WeakPolarHBondContact O-CB 3.38Å; S738-Q741 PolarHBondContact O-N 3Å; S738-Q741 PolarHBondContact OG-N 3.25Å; S738-W742 VanDerWaalsContact O-CD1 3.25Å; S738-W742 PolarHBondContact O-N 3.15Å
739	L	95.9	Very high	94.6	Very high	7 Å²	7	47.5 Å²	47.5	4%	0.037	25%	0.249	C	C	.	.	H	α-helix	trans	-59.4	-31.4	-179.1	177.4	57.2	0	0	0	112.4	L621 A679 R683 L686 W742 A743 L802	L621-L739 HydrophobicContact CD2-CD2 4.39Å; L621-L739 HydrophobicContact CD2-CG 4.49Å; A679-L739 HydrophobicContact CB-CD2 3.82Å; A679-L739 VanDerWaalsContact O-CD2 3.24Å; A679-L739 WeakPolarHBondContact O-CD2 3.27Å; R683-L739 HydrophobicContact CB-CD2 4.16Å; L686-L739 HydrophobicContact CD1-CB 4.16Å; L686-L739 HydrophobicContact CD1-CD1 3.98Å; L739-W742 PolarHBondContact O-N 3.29Å; L739-A743 WeakPolarHBondContact O-CB 3.26Å; L739-A743 PolarHBondContact O-N 3.04Å; L739-L802 HydrophobicContact CD1-CD2 3.71Å; L739-L802 HydrophobicContact CD2-CD2 4.29Å
740	E	96	Very high	94.7	Very high	79 Å²	79	46 Å²	46	37%	0.369	24%	0.242	S	C	.	.	H	α-helix	trans	-68.9	-37.5	176.8	-54	72.3	-154.7	0	0	111.1	R683 S738 A743 V744	R683-E740 IonicContact CZ-OE1 3Å; R683-E740 VanDerWaalsContact CZ-OE1 3.29Å; R683-E740 IonicContact NE-OE1 2.74Å; R683-E740 PolarHBondContact NE-OE1 2.99Å; R683-E740 VanDerWaalsContact NE-OE1 3.11Å; R683-E740 IonicContact NH2-OE1 3.15Å; R683-E740 PolarHBondContact NH2-OE1 3.3Å; S738-E740 WeakPolarHBondContact CB-OE2 3.26Å; S738-E740 PolarHBondContact O-N 3.01Å; S738-E740 VanDerWaalsContact O-N 3.17Å; S738-E740 PolarHBondContact OG-N 3.22Å; S738-E740 PolarHBondContact OG-OE2 3.38Å; E740-A743 WeakPolarHBondContact O-CB 3.39Å; E740-A743 PolarHBondContact O-N 3.26Å; E740-V744 WeakPolarHBondContact O-CG2 3.12Å; E740-V744 PolarHBondContact O-N 3.47Å
741	Q	95.7	Very high	94.8	Very high	96 Å²	96	45.5 Å²	45.5	45%	0.449	25%	0.245	S	C	.	.	H	α-helix	trans	-69.7	-38.2	173.1	-64.6	175	-79.2	0	0	112	N737 S738 A743 V744 W745	N737-Q741 HydrophobicContact CB-CB 3.93Å; N737-Q741 PolarHBondContact OD1-NE2 2.94Å; S738-Q741 WeakPolarHBondContact O-CB 3.38Å; S738-Q741 PolarHBondContact O-N 3Å; S738-Q741 PolarHBondContact OG-N 3.25Å; Q741-A743 VanDerWaalsContact C-N 3.32Å; Q741-A743 PolarHBondContact O-N 3.48Å; Q741-V744 PolarHBondContact O-N 3.27Å; Q741-W745 PolarHBondContact O-N 3.47Å
742	W	95.7	Very high	94.8	Very high	1 Å²	1	46.3 Å²	46.3	0%	0.004	25%	0.246	C	C	.	.	H	α-helix	trans	-60.9	-40.5	170.7	-78.8	103.9	0	0	0	112.2	L686 F729 T732 L733 N737 S738 L739 W745 L746 Y803	L686-W742 HydrophobicContact CD1-CG 4.45Å; F729-W742 HydrophobicContact CD1-CH2 4.47Å; F729-W742 AromaticContact CD2-CH2 3.66Å; F729-W742 HydrophobicContact CD2-CH2 3.66Å; F729-W742 AromaticContact CD2-CZ3 3.45Å; F729-W742 HydrophobicContact CD2-CZ3 3.45Å; F729-W742 VanDerWaalsContact CD2-CZ3 3.45Å; F729-W742 HydrophobicContact CE1-CH2 4.47Å; F729-W742 AromaticContact CE2-CH2 3.65Å; F729-W742 HydrophobicContact CE2-CH2 3.65Å; F729-W742 AromaticContact CE2-CZ3 3.7Å; F729-W742 HydrophobicContact CE2-CZ3 3.7Å; F729-W742 HydrophobicContact CG-CH2 4.08Å; F729-W742 HydrophobicContact CG-CZ3 4.13Å; F729-W742 HydrophobicContact CZ-CH2 4.07Å; F729-W742 WeakPolarHBondContact O-CH2 3.42Å; T732-W742 HydrophobicContact CG2-CD2 3.45Å; T732-W742 VanDerWaalsContact CG2-CD2 3.45Å; T732-W742 HydrophobicContact CG2-CE3 3.43Å; T732-W742 VanDerWaalsContact CG2-CE3 3.43Å; T732-W742 HydrophobicContact CG2-CG 4.17Å; T732-W742 HydrophobicContact CG2-CH2 3.82Å; T732-W742 HydrophobicContact CG2-CZ2 3.8Å; T732-W742 HydrophobicContact CG2-CZ3 3.61Å; L733-W742 HydrophobicContact CB-CH2 3.93Å; L733-W742 HydrophobicContact CB-CZ2 3.81Å; L733-W742 HydrophobicContact CD1-CZ2 4.01Å; N737-W742 VanDerWaalsContact O-CD1 3.22Å; N737-W742 PolarHBondContact O-NE1 2.99Å; N737-W742 VanDerWaalsContact O-NE1 3.15Å; S738-W742 VanDerWaalsContact O-CD1 3.25Å; S738-W742 PolarHBondContact O-N 3.15Å; L739-W742 PolarHBondContact O-N 3.29Å; W742-W745 AromaticContact CE3-CE3 3.77Å; W742-W745 HydrophobicContact CE3-CE3 3.77Å; W742-W745 HydrophobicContact CE3-CZ3 4.1Å; W742-W745 AromaticContact CZ3-CE3 3.99Å; W742-W745 HydrophobicContact CZ3-CE3 3.99Å; W742-W745 AromaticContact CZ3-CZ3 3.95Å; W742-W745 HydrophobicContact CZ3-CZ3 3.95Å; W742-W745 WeakPolarHBondContact O-CB 3.3Å; W742-W745 PolarHBondContact O-N 2.64Å; W742-L746 WeakPolarHBondContact O-CG 2.97Å; W742-L746 PolarHBondContact O-N 2.86Å; W742-Y803 HydrophobicContact CE3-CE2 4.47Å; W742-Y803 AromaticContact CE3-CZ 3.94Å; W742-Y803 WeakPolarHBondContact CZ3-OH 3.26Å
743	A	96.9	Very high	94.7	Very high	6 Å²	6	47.6 Å²	47.6	5%	0.05	25%	0.254	C	S	.	.	H	α-helix	trans	-63.7	-41.5	176.2	0	0	0	0	0	112.6	L621 L739 E740 Q741 W745 L746 D747 Y806	L621-A743 HydrophobicContact CD1-CB 3.42Å; L621-A743 VanDerWaalsContact CD1-CB 3.42Å; L739-A743 WeakPolarHBondContact O-CB 3.26Å; L739-A743 PolarHBondContact O-N 3.04Å; E740-A743 WeakPolarHBondContact O-CB 3.39Å; E740-A743 PolarHBondContact O-N 3.26Å; Q741-A743 VanDerWaalsContact C-N 3.32Å; Q741-A743 PolarHBondContact O-N 3.48Å; A743-W745 VanDerWaalsContact C-N 3.32Å; A743-W745 PolarHBondContact O-N 3.06Å; A743-L746 PolarHBondContact O-N 3.2Å; A743-D747 PolarHBondContact O-N 2.92Å; A743-Y806 HydrophobicContact CB-CE1 3.68Å
744	V	96.5	Very high	94.8	Very high	109 Å²	109	47.8 Å²	47.8	66%	0.661	26%	0.255	S	S	*	.	H	α-helix	trans	-61.3	-38.7	172.4	170.1	0	0	0	0	111.7	E740 Q741 G748	E740-V744 WeakPolarHBondContact O-CG2 3.12Å; E740-V744 PolarHBondContact O-N 3.47Å; Q741-V744 PolarHBondContact O-N 3.27Å; V744-G748 PolarHBondContact O-N 3.29Å
745	W	95.8	Very high	94.8	Very high	36 Å²	36	48.2 Å²	48.2	14%	0.136	26%	0.255	C	S	.	.	H	α-helix	trans	-63.5	-46.8	173	174.3	70.3	0	0	0	111.9	L725 D728 F729 Q741 W742 A743 D747 G748 V749 Y803	L725-W745 HydrophobicContact CD2-CZ2 4.11Å; D728-W745 HydrophobicContact CB-CZ2 4.02Å; D728-W745 VanDerWaalsContact CB-NE1 3.3Å; F729-W745 HydrophobicContact CB-CH2 3.92Å; F729-W745 HydrophobicContact CB-CZ2 4.22Å; F729-W745 AromaticContact CD2-CH2 3.97Å; F729-W745 HydrophobicContact CD2-CH2 3.97Å; F729-W745 HydrophobicContact CD2-CZ3 4.06Å; F729-W745 HydrophobicContact CG-CH2 4.45Å; Q741-W745 PolarHBondContact O-N 3.47Å; W742-W745 AromaticContact CE3-CE3 3.77Å; W742-W745 HydrophobicContact CE3-CE3 3.77Å; W742-W745 HydrophobicContact CE3-CZ3 4.1Å; W742-W745 AromaticContact CZ3-CE3 3.99Å; W742-W745 HydrophobicContact CZ3-CE3 3.99Å; W742-W745 AromaticContact CZ3-CZ3 3.95Å; W742-W745 HydrophobicContact CZ3-CZ3 3.95Å; W742-W745 WeakPolarHBondContact O-CB 3.3Å; W742-W745 PolarHBondContact O-N 2.64Å; A743-W745 VanDerWaalsContact C-N 3.32Å; A743-W745 PolarHBondContact O-N 3.06Å; W745-D747 PolarHBondContact O-N 2.89Å; W745-G748 CarbonylContact O-C 3.45Å; W745-G748 WeakPolarHBondContact O-CA 3.48Å; W745-G748 PolarHBondContact O-N 3.15Å; W745-G748 VanDerWaalsContact O-N 3.1Å; W745-V749 HydrophobicContact CD2-CG2 4.24Å; W745-V749 HydrophobicContact CZ2-CG2 4.12Å; W745-V749 WeakPolarHBondContact O-CG2 3.44Å; W745-V749 PolarHBondContact O-N 3.32Å; W745-Y803 HydrophobicContact CZ3-CE2 4.17Å
746	L	96.8	Very high	94.8	Very high	3 Å²	3	48.2 Å²	48.2	2%	0.016	26%	0.264	C	S	.	.	H	α-helix	trans	-61	-41.2	178.4	-65.3	166.4	0	0	0	112.3	W742 A743 V749 V750 W774 Y803 Y806 M807 L810	W742-L746 WeakPolarHBondContact O-CG 2.97Å; W742-L746 PolarHBondContact O-N 2.86Å; A743-L746 PolarHBondContact O-N 3.2Å; L746-V749 PolarHBondContact O-N 3.06Å; L746-V750 WeakPolarHBondContact O-CG2 3.42Å; L746-V750 PolarHBondContact O-N 3Å; L746-W774 HydrophobicContact CD2-CH2 3.96Å; L746-W774 HydrophobicContact CD2-CZ2 4.35Å; L746-Y803 HydrophobicContact CD1-CD1 3.67Å; L746-Y803 HydrophobicContact CD1-CD2 4.35Å; L746-Y803 HydrophobicContact CD1-CE1 3.86Å; L746-Y803 HydrophobicContact CD1-CE2 4.5Å; L746-Y803 HydrophobicContact CD1-CG 3.95Å; L746-Y803 HydrophobicContact CD2-CD2 3.92Å; L746-Y803 HydrophobicContact CD2-CE2 4.17Å; L746-Y803 HydrophobicContact CD2-CG 4.19Å; L746-Y806 HydrophobicContact CB-CD1 4.17Å; L746-Y806 HydrophobicContact CB-CE1 4.33Å; L746-Y806 HydrophobicContact CD1-CD1 3.73Å; L746-Y806 HydrophobicContact CD1-CE1 4.42Å; L746-M807 HydrophobicContact CB-CE 4.36Å; L746-M807 HydrophobicContact CB-SD 4.37Å; L746-M807 HydrophobicContact CD2-CE 3.65Å; L746-M807 HydrophobicContact CD2-SD 4.35Å; L746-L810 HydrophobicContact CB-CD1 3.96Å
747	D	96.4	Very high	94.9	Very high	48 Å²	48	48.8 Å²	48.8	26%	0.257	26%	0.263	S	S	.	.	H	α-helix	trans	-63.4	-40	172.8	-176.3	95.7	0	0	0	111.9	A743 W745 V749 V750 S751 L810 R814	A743-D747 PolarHBondContact O-N 2.92Å; W745-D747 PolarHBondContact O-N 2.89Å; D747-V749 VanDerWaalsContact C-N 3.34Å; D747-V749 PolarHBondContact O-N 2.74Å; D747-V750 PolarHBondContact O-N 2.91Å; D747-S751 VanDerWaalsContact O-CB 3.23Å; D747-S751 WeakPolarHBondContact O-CB 3.15Å; D747-S751 PolarHBondContact O-N 2.64Å; D747-S751 PolarHBondContact O-OG 3.42Å; D747-S751 PolarHBondContact OD2-OG 2.95Å; D747-L810 HydrophobicContact CB-CD1 4.29Å; D747-L810 HydrophobicContact CB-CD2 4Å; D747-R814 IonicContact OD1-CZ 2.81Å; D747-R814 IonicContact OD1-NH1 3.69Å; D747-R814 PolarHBondContact OD1-NH1 2.92Å; D747-R814 IonicContact OD1-NH2 3.39Å; D747-R814 PolarHBondContact OD1-NH2 3.16Å; D747-R814 IonicContact OD2-CZ 3.06Å; D747-R814 IonicContact OD2-NH2 3.87Å; D747-R814 PolarHBondContact OD2-NH2 3.11Å
748	G	95.9	Very high	94.8	Very high	38 Å²	38	52.7 Å²	52.7	39%	0.392	28%	0.28	S	S	.	.	H	α-helix	trans	-60.5	-40	172.6	0	0	0	0	0	113.2	V744 W745 S751 Q752	V744-G748 PolarHBondContact O-N 3.29Å; W745-G748 CarbonylContact O-C 3.45Å; W745-G748 WeakPolarHBondContact O-CA 3.48Å; W745-G748 PolarHBondContact O-N 3.15Å; W745-G748 VanDerWaalsContact O-N 3.1Å; G748-S751 PolarHBondContact O-N 3.42Å; G748-Q752 WeakPolarHBondContact O-CB 3.39Å; G748-Q752 PolarHBondContact O-N 3.08Å
749	V	94.8	Very high	94.5	Very high	7 Å²	7	60 Å²	60	4%	0.042	31%	0.309	C	S	.	.	H	α-helix	trans	-64.9	-50.5	175.5	171.2	0	0	0	0	111.2	L725 W745 L746 D747 S751 Q752 V753 F770 M807	L725-V749 HydrophobicContact CD1-CG1 4.37Å; L725-V749 HydrophobicContact CD2-CB 4.15Å; L725-V749 HydrophobicContact CD2-CG1 3.67Å; L725-V749 HydrophobicContact CD2-CG2 3.34Å; W745-V749 HydrophobicContact CD2-CG2 4.24Å; W745-V749 HydrophobicContact CZ2-CG2 4.12Å; W745-V749 WeakPolarHBondContact O-CG2 3.44Å; W745-V749 PolarHBondContact O-N 3.32Å; L746-V749 PolarHBondContact O-N 3.06Å; D747-V749 VanDerWaalsContact C-N 3.34Å; D747-V749 PolarHBondContact O-N 2.74Å; V749-S751 VanDerWaalsContact C-N 3.29Å; V749-S751 PolarHBondContact O-N 3.14Å; V749-Q752 PolarHBondContact O-N 2.94Å; V749-V753 WeakPolarHBondContact O-CG2 3.47Å; V749-V753 PolarHBondContact O-N 3.12Å; V749-F770 HydrophobicContact CG1-CZ 3.97Å; V749-M807 HydrophobicContact CB-CE 4.23Å; V749-M807 HydrophobicContact CG1-CE 3.89Å
750	V	95.6	Very high	94.4	Very high	1 Å²	1	61.9 Å²	61.9	1%	0.006	32%	0.323	C	S	.	.	H	α-helix	trans	-56.2	-46.7	174.9	170.4	0	0	0	0	110.6	L746 D747 Q752 V753 L754 F770 M807 L810 I811 R814	L746-V750 WeakPolarHBondContact O-CG2 3.42Å; L746-V750 PolarHBondContact O-N 3Å; D747-V750 PolarHBondContact O-N 2.91Å; V750-Q752 PolarHBondContact O-N 3.33Å; V750-V753 PolarHBondContact O-N 3.17Å; V750-L754 HydrophobicContact CG1-CD1 4.07Å; V750-L754 WeakPolarHBondContact O-CB 3.32Å; V750-L754 WeakPolarHBondContact O-CG 3.43Å; V750-L754 PolarHBondContact O-N 3.01Å; V750-F770 HydrophobicContact CG2-CE1 4.09Å; V750-M807 HydrophobicContact CG2-CE 4.3Å; V750-M807 HydrophobicContact CG2-SD 3.43Å; V750-M807 WeakPolarHBondContact CG2-SD 3.3Å; V750-L810 HydrophobicContact CG2-CB 4.12Å; V750-L810 HydrophobicContact CG2-CD1 4.03Å; V750-I811 HydrophobicContact CG1-CD1 3.71Å; V750-I811 HydrophobicContact CG1-CG1 4.41Å; V750-I811 HydrophobicContact CG2-CD1 4.26Å; V750-I811 HydrophobicContact CG2-CG1 4.37Å; V750-R814 HydrophobicContact CG1-CG 4.05Å
751	S	94.6	Very high	94	Very high	36 Å²	36	64.3 Å²	64.3	25%	0.252	35%	0.346	S	S	.	.	H	α-helix	trans	-63.8	-39.9	-179.4	-60.9	0	0	0	0	112.6	D747 G748 V749 K755 R814	D747-S751 VanDerWaalsContact O-CB 3.23Å; D747-S751 WeakPolarHBondContact O-CB 3.15Å; D747-S751 PolarHBondContact O-N 2.64Å; D747-S751 PolarHBondContact O-OG 3.42Å; D747-S751 PolarHBondContact OD2-OG 2.95Å; G748-S751 PolarHBondContact O-N 3.42Å; V749-S751 VanDerWaalsContact C-N 3.29Å; V749-S751 PolarHBondContact O-N 3.14Å; S751-K755 WeakPolarHBondContact O-CB 3.36Å; S751-K755 PolarHBondContact O-N 2.75Å; S751-K755 VanDerWaalsContact O-N 3.14Å; S751-R814 PolarHBondContact OG-NH2 2.74Å
752	Q	92.6	Very high	93.9	Very high	97 Å²	97	61.5 Å²	61.5	45%	0.453	34%	0.339	S	S	.	.	H	α-helix	trans	-68.7	-45.3	177.3	178.5	164.7	100.8	0	0	111.9	G748 V749 V750	G748-Q752 WeakPolarHBondContact O-CB 3.39Å; G748-Q752 PolarHBondContact O-N 3.08Å; V749-Q752 PolarHBondContact O-N 2.94Å; V750-Q752 PolarHBondContact O-N 3.33Å
753	V	91.9	Very high	93.9	Very high	40 Å²	40	62.1 Å²	62.1	24%	0.242	34%	0.342	C	S	.	.	H	α-helix	trans	-72.4	-34.3	-176.2	177.2	0	0	0	0	112.2	V721 V749 V750 P756 F770	V721-V753 HydrophobicContact CG1-CG2 4.47Å; V749-V753 WeakPolarHBondContact O-CG2 3.47Å; V749-V753 PolarHBondContact O-N 3.12Å; V750-V753 PolarHBondContact O-N 3.17Å; V753-P756 WeakPolarHBondContact O-CD 3.27Å; V753-F770 HydrophobicContact CB-CD2 4.26Å; V753-F770 HydrophobicContact CB-CE2 4.24Å; V753-F770 HydrophobicContact CG1-CD2 3.59Å; V753-F770 HydrophobicContact CG1-CE2 4Å; V753-F770 HydrophobicContact CG1-CG 4.08Å; V753-F770 HydrophobicContact CG2-CD2 4.44Å; V753-F770 HydrophobicContact CG2-CE2 3.99Å; V753-F770 HydrophobicContact CG2-CZ 4.46Å
754	L	93.4	Very high	93.6	Very high	5 Å²	5	63.2 Å²	63.2	3%	0.026	35%	0.348	C	S	.	.	H	α-helix	trans	-89.1	-8.4	178.7	-59.4	-170.9	0	0	0	114.5	V750 P756 Y757 Q758 F763 A766 A767 F770 I811	V750-L754 HydrophobicContact CG1-CD1 4.07Å; V750-L754 WeakPolarHBondContact O-CB 3.32Å; V750-L754 WeakPolarHBondContact O-CG 3.43Å; V750-L754 PolarHBondContact O-N 3.01Å; L754-P756 VanDerWaalsContact C-N 3.34Å; L754-Y757 PolarHBondContact O-N 2.86Å; L754-Q758 PolarHBondContact O-N 3.49Å; L754-F763 HydrophobicContact CB-CE2 3.72Å; L754-F763 HydrophobicContact CB-CZ 4.08Å; L754-F763 HydrophobicContact CD1-CE1 4.12Å; L754-F763 HydrophobicContact CD1-CE2 4.1Å; L754-F763 HydrophobicContact CD1-CZ 3.64Å; L754-A766 HydrophobicContact CD2-CB 4.44Å; L754-A767 HydrophobicContact CD1-CB 3.78Å; L754-A767 HydrophobicContact CD2-CB 4.27Å; L754-F770 HydrophobicContact CD2-CB 4.44Å; L754-I811 HydrophobicContact CD1-CD1 3.56Å; L754-I811 HydrophobicContact CG-CD1 4.44Å
755	K	93	Very high	93.4	Very high	143 Å²	143	66.2 Å²	66.2	62%	0.622	35%	0.353	S	S	*	.	G	3₁₀ helix	trans	-49.4	-43.9	176.9	-170.8	174.2	-178.3	179.7	0	114.2	S751 Y757 Q758	S751-K755 WeakPolarHBondContact O-CB 3.36Å; S751-K755 PolarHBondContact O-N 2.75Å; S751-K755 VanDerWaalsContact O-N 3.14Å; K755-Y757 PolarHBondContact O-N 3.34Å; K755-Y757 VanDerWaalsContact O-N 3.14Å; K755-Q758 PolarHBondContact O-N 3.19Å
756	P	93.4	Very high	93.3	Very high	105 Å²	105	65.2 Å²	65.2	68%	0.682	35%	0.352	S	S	*	.	G	3₁₀ helix	trans	-65.4	-15.4	-179.5	-21.2	34.8	0	0	0	114.6	V753 L754	V753-P756 WeakPolarHBondContact O-CD 3.27Å; L754-P756 VanDerWaalsContact C-N 3.34Å
757	Y	94	Very high	93.2	Very high	101 Å²	101	65 Å²	65	40%	0.396	35%	0.351	S	S	.	.	G	3₁₀ helix	trans	-105.4	1.2	-178.1	-56	-80.8	0	0	0	112.9	L754 K755 H759 S760 A762 F763 A766	L754-Y757 PolarHBondContact O-N 2.86Å; K755-Y757 PolarHBondContact O-N 3.34Å; K755-Y757 VanDerWaalsContact O-N 3.14Å; Y757-H759 PolarHBondContact O-N 3.36Å; Y757-S760 VanDerWaalsContact O-CB 3.23Å; Y757-S760 WeakPolarHBondContact O-CB 3.46Å; Y757-S760 PolarHBondContact O-N 2.97Å; Y757-A762 HydrophobicContact CD1-CB 4.37Å; Y757-F763 WeakPolarHBondContact O-CD2 3.46Å; Y757-A766 HydrophobicContact CD1-CB 3.77Å; Y757-A766 HydrophobicContact CD2-CB 3.6Å; Y757-A766 HydrophobicContact CE1-CB 3.93Å; Y757-A766 HydrophobicContact CE2-CB 3.76Å; Y757-A766 HydrophobicContact CG-CB 3.61Å
758	Q	90.7	Very high	93	Very high	105 Å²	105	67.8 Å²	67.8	49%	0.491	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.8	132.2	178.5	-73.6	176.5	-24.3	0	0	110.4	L754 K755 S760 F763	L754-Q758 PolarHBondContact O-N 3.49Å; K755-Q758 PolarHBondContact O-N 3.19Å; Q758-S760 PolarHBondContact O-N 3.03Å; Q758-F763 HydrophobicContact CG-CE2 4.48Å
759	H	88.9	Confident	92.9	Very high	196 Å²	196	70.2 Å²	70.2	91%	0.907	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.7	11.8	-173.6	-43.4	-76.9	0	0	0	115.8	Y757	Y757-H759 PolarHBondContact O-N 3.36Å
760	S	92.9	Very high	92.8	Very high	47 Å²	47	70.8 Å²	70.8	33%	0.329	37%	0.366	S	S	.	.			trans	-94.8	139.6	172.2	-176.3	0	0	0	0	111.5	Y757 Q758 A762 F763	Y757-S760 VanDerWaalsContact O-CB 3.23Å; Y757-S760 WeakPolarHBondContact O-CB 3.46Å; Y757-S760 PolarHBondContact O-N 2.97Å; Q758-S760 PolarHBondContact O-N 3.03Å; S760-A762 PolarHBondContact O-N 3.01Å; S760-A762 VanDerWaalsContact O-N 3.11Å; S760-A762 PolarHBondContact OG-N 2.85Å; S760-F763 VanDerWaalsContact O-CB 3.25Å; S760-F763 WeakPolarHBondContact O-CB 3.49Å; S760-F763 PolarHBondContact O-N 2.66Å
761	P	89.4	Confident	92.8	Very high	130 Å²	130	72.3 Å²	72.3	84%	0.844	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.1	-18.3	170.2	26.5	-35.2	0	0	0	112.7	F763 P764	P761-F763 PolarHBondContact O-N 3.06Å; P761-P764 WeakPolarHBondContact O-CD 3.39Å
762	A	93	Very high	92.7	Very high	38 Å²	38	76.1 Å²	76.1	31%	0.314	39%	0.391	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-10.2	173	0	0	0	0	0	114	Y757 S760 K765 A766	Y757-A762 HydrophobicContact CD1-CB 4.37Å; S760-A762 PolarHBondContact O-N 3.01Å; S760-A762 VanDerWaalsContact O-N 3.11Å; S760-A762 PolarHBondContact OG-N 2.85Å; A762-K765 WeakPolarHBondContact O-CB 3.48Å; A762-K765 PolarHBondContact O-N 3.17Å; A762-K765 VanDerWaalsContact O-N 3.07Å; A762-A766 PolarHBondContact O-N 3.3Å
763	F	94.6	Very high	92.8	Very high	14 Å²	14	74.1 Å²	74.1	6%	0.061	38%	0.381	C	S	.	.	H	α-helix	trans	-53.6	-48	-174.5	-173.4	-82.6	0	0	0	114	L754 Y757 Q758 S760 P761 K765 A766 A767 R814 V815 A818	L754-F763 HydrophobicContact CB-CE2 3.72Å; L754-F763 HydrophobicContact CB-CZ 4.08Å; L754-F763 HydrophobicContact CD1-CE1 4.12Å; L754-F763 HydrophobicContact CD1-CE2 4.1Å; L754-F763 HydrophobicContact CD1-CZ 3.64Å; Y757-F763 WeakPolarHBondContact O-CD2 3.46Å; Q758-F763 HydrophobicContact CG-CE2 4.48Å; S760-F763 VanDerWaalsContact O-CB 3.25Å; S760-F763 WeakPolarHBondContact O-CB 3.49Å; S760-F763 PolarHBondContact O-N 2.66Å; P761-F763 PolarHBondContact O-N 3.06Å; F763-K765 VanDerWaalsContact C-N 3.3Å; F763-K765 PolarHBondContact O-N 3.44Å; F763-A766 PolarHBondContact O-N 2.85Å; F763-A767 VanDerWaalsContact O-CB 3.28Å; F763-A767 WeakPolarHBondContact O-CB 3.29Å; F763-A767 PolarHBondContact O-N 3.35Å; F763-R814 HydrophobicContact CE1-CB 4.24Å; F763-R814 WeakPolarHBondContact CE1-O 3.24Å; F763-R814 HydrophobicContact CZ-CB 4.1Å; F763-V815 HydrophobicContact CD1-CG2 4.33Å; F763-V815 HydrophobicContact CE1-CG2 4.15Å; F763-A818 HydrophobicContact CD1-CB 3.47Å; F763-A818 VanDerWaalsContact CD1-CB 3.47Å; F763-A818 HydrophobicContact CE1-CB 3.7Å; F763-A818 HydrophobicContact CG-CB 4.01Å; F763-A818 HydrophobicContact CZ-CB 4.37Å
764	P	92.3	Very high	92.9	Very high	29 Å²	29	73.9 Å²	73.9	19%	0.188	38%	0.375	C	S	.	.	H	α-helix	trans	-66.6	-30.9	178.9	-19.9	34.6	0	0	0	112.9	P761 K768 V815	P761-P764 WeakPolarHBondContact O-CD 3.39Å; P764-K768 WeakPolarHBondContact O-CD 3.37Å; P764-K768 VanDerWaalsContact O-CG 3.22Å; P764-K768 WeakPolarHBondContact O-CG 3.4Å; P764-K768 PolarHBondContact O-N 3.17Å; P764-K768 VanDerWaalsContact O-N 3.12Å; P764-V815 HydrophobicContact CB-CG1 4.03Å; P764-V815 HydrophobicContact CG-CG1 4.26Å
765	K	91.9	Very high	92.9	Very high	172 Å²	172	75.9 Å²	75.9	75%	0.748	39%	0.39	S	S	*	.	H	α-helix	trans	-71	-44	176.5	-168.1	170.5	-176.1	170	0	110.7	A762 F763 L769	A762-K765 WeakPolarHBondContact O-CB 3.48Å; A762-K765 PolarHBondContact O-N 3.17Å; A762-K765 VanDerWaalsContact O-N 3.07Å; F763-K765 VanDerWaalsContact C-N 3.3Å; F763-K765 PolarHBondContact O-N 3.44Å; K765-L769 WeakPolarHBondContact O-CB 3.35Å; K765-L769 PolarHBondContact O-N 3.12Å
766	A	94	Very high	92.9	Very high	14 Å²	14	72.3 Å²	72.3	12%	0.116	37%	0.374	C	S	.	.	H	α-helix	trans	-63.6	-41.5	174.2	0	0	0	0	0	112.4	L754 Y757 A762 F763 L769 F770	L754-A766 HydrophobicContact CD2-CB 4.44Å; Y757-A766 HydrophobicContact CD1-CB 3.77Å; Y757-A766 HydrophobicContact CD2-CB 3.6Å; Y757-A766 HydrophobicContact CE1-CB 3.93Å; Y757-A766 HydrophobicContact CE2-CB 3.76Å; Y757-A766 HydrophobicContact CG-CB 3.61Å; A762-A766 PolarHBondContact O-N 3.3Å; F763-A766 PolarHBondContact O-N 2.85Å; A766-L769 PolarHBondContact O-N 3.4Å; A766-F770 PolarHBondContact O-N 2.94Å
767	A	94.9	Very high	92.9	Very high	0 Å²	0	68.9 Å²	68.9	0%	0	35%	0.348	C	S	.	.	H	α-helix	trans	-65.6	-44.5	179.4	0	0	0	0	0	112.9	L754 F763 F770 L771 I811 V815	L754-A767 HydrophobicContact CD1-CB 3.78Å; L754-A767 HydrophobicContact CD2-CB 4.27Å; F763-A767 VanDerWaalsContact O-CB 3.28Å; F763-A767 WeakPolarHBondContact O-CB 3.29Å; F763-A767 PolarHBondContact O-N 3.35Å; A767-F770 PolarHBondContact O-N 3.16Å; A767-L771 PolarHBondContact O-N 2.8Å; A767-L771 VanDerWaalsContact O-N 3.15Å; A767-I811 HydrophobicContact CB-CD1 4.16Å; A767-I811 HydrophobicContact CB-CG2 3.92Å; A767-V815 HydrophobicContact CB-CG2 3.65Å
768	K	92	Very high	92.9	Very high	105 Å²	105	65.1 Å²	65.1	46%	0.457	34%	0.337	S	S	.	.	H	α-helix	trans	-60.6	-44.3	171.4	-70.3	166.5	-173.7	175.9	0	111.8	P764 F770 L771 L772 F830	P764-K768 WeakPolarHBondContact O-CD 3.37Å; P764-K768 VanDerWaalsContact O-CG 3.22Å; P764-K768 WeakPolarHBondContact O-CG 3.4Å; P764-K768 PolarHBondContact O-N 3.17Å; P764-K768 VanDerWaalsContact O-N 3.12Å; K768-F770 VanDerWaalsContact C-N 3.32Å; K768-F770 PolarHBondContact O-N 3.36Å; K768-L771 PolarHBondContact O-N 2.85Å; K768-L772 PolarHBondContact O-N 3.28Å; K768-L772 VanDerWaalsContact O-N 3.12Å; K768-F830 VanDerWaalsContact NZ-CZ 3.33Å
769	L	92.6	Very high	93	Very high	89 Å²	89	62.6 Å²	62.6	47%	0.466	33%	0.33	S	S	.	.	H	α-helix	trans	-64.4	-36	177.7	-179.3	60.4	0	0	0	111.9	K765 A766 L772 K773	K765-L769 WeakPolarHBondContact O-CB 3.35Å; K765-L769 PolarHBondContact O-N 3.12Å; A766-L769 PolarHBondContact O-N 3.4Å; L769-L772 HydrophobicContact CD1-CD2 4.5Å; L769-L772 PolarHBondContact O-N 3.17Å; L769-K773 HydrophobicContact CD1-CG 4.42Å; L769-K773 WeakPolarHBondContact O-CG 3.48Å; L769-K773 PolarHBondContact O-N 2.88Å
770	F	93.9	Very high	93.3	Very high	20 Å²	20	54 Å²	54	9%	0.088	29%	0.291	C	S	.	.	H	α-helix	trans	-63.3	-45.1	174	175.8	-112.3	0	0	0	112	V749 V750 V753 L754 A766 A767 K768 L772 K773 W774 M807 I811	V749-F770 HydrophobicContact CG1-CZ 3.97Å; V750-F770 HydrophobicContact CG2-CE1 4.09Å; V753-F770 HydrophobicContact CB-CD2 4.26Å; V753-F770 HydrophobicContact CB-CE2 4.24Å; V753-F770 HydrophobicContact CG1-CD2 3.59Å; V753-F770 HydrophobicContact CG1-CE2 4Å; V753-F770 HydrophobicContact CG1-CG 4.08Å; V753-F770 HydrophobicContact CG2-CD2 4.44Å; V753-F770 HydrophobicContact CG2-CE2 3.99Å; V753-F770 HydrophobicContact CG2-CZ 4.46Å; L754-F770 HydrophobicContact CD2-CB 4.44Å; A766-F770 PolarHBondContact O-N 2.94Å; A767-F770 PolarHBondContact O-N 3.16Å; K768-F770 VanDerWaalsContact C-N 3.32Å; K768-F770 PolarHBondContact O-N 3.36Å; F770-L772 VanDerWaalsContact C-N 3.28Å; F770-L772 PolarHBondContact O-N 3.38Å; F770-K773 PolarHBondContact O-N 3.11Å; F770-W774 HydrophobicContact CZ-CE3 4.17Å; F770-W774 VanDerWaalsContact O-CB 3.27Å; F770-W774 WeakPolarHBondContact O-CB 3.44Å; F770-W774 PolarHBondContact O-N 2.97Å; F770-M807 HydrophobicContact CE1-CE 4.2Å; F770-M807 HydrophobicContact CE1-SD 4.28Å; F770-M807 HydrophobicContact CZ-CE 4.15Å; F770-I811 HydrophobicContact CD1-CD1 3.98Å
771	L	94.6	Very high	93.4	Very high	33 Å²	33	52.6 Å²	52.6	17%	0.173	28%	0.281	C	S	.	.	H	α-helix	trans	-57.8	-40.5	173.8	-73.2	177.4	0	0	0	112.3	A767 K768 S775 M807 Y808 I811	A767-L771 PolarHBondContact O-N 2.8Å; A767-L771 VanDerWaalsContact O-N 3.15Å; K768-L771 PolarHBondContact O-N 2.85Å; L771-S775 VanDerWaalsContact O-CB 3.25Å; L771-S775 WeakPolarHBondContact O-CB 3.46Å; L771-S775 PolarHBondContact O-N 3.21Å; L771-M807 HydrophobicContact CD2-CB 3.9Å; L771-Y808 HydrophobicContact CD1-CD2 4.1Å; L771-Y808 HydrophobicContact CD1-CG 4.38Å; L771-I811 HydrophobicContact CD1-CB 4.01Å; L771-I811 HydrophobicContact CD1-CG1 4.35Å; L771-I811 HydrophobicContact CD1-CG2 3.65Å; L771-I811 HydrophobicContact CD2-CB 4.28Å; L771-I811 HydrophobicContact CD2-CG1 3.85Å; L771-I811 HydrophobicContact CG-CB 4.19Å; L771-I811 HydrophobicContact CG-CG1 3.96Å; L771-I811 HydrophobicContact CG-CG2 4.05Å
772	L	93.7	Very high	93.7	Very high	116 Å²	116	47.7 Å²	47.7	61%	0.607	25%	0.247	S	C	*	.	H	α-helix	trans	-64.3	-47.7	176.4	-177.2	62.3	0	0	0	111.9	K768 L769 F770 S775 F776	K768-L772 PolarHBondContact O-N 3.28Å; K768-L772 VanDerWaalsContact O-N 3.12Å; L769-L772 HydrophobicContact CD1-CD2 4.5Å; L769-L772 PolarHBondContact O-N 3.17Å; F770-L772 VanDerWaalsContact C-N 3.28Å; F770-L772 PolarHBondContact O-N 3.38Å; L772-S775 PolarHBondContact O-N 2.83Å; L772-F776 WeakPolarHBondContact O-CB 3.44Å; L772-F776 PolarHBondContact O-N 2.7Å
773	K	92.9	Very high	93.8	Very high	54 Å²	54	50.9 Å²	50.9	24%	0.235	25%	0.251	C	S	.	.	H	α-helix	trans	-63	-43.6	177.3	-68.7	-172.3	-172.7	-156.7	0	112.1	C715 R716 L769 F770 Y777	C715-K773 HydrophobicContact CB-CB 4.42Å; C715-K773 HydrophobicContact CB-CD 4.36Å; C715-K773 HydrophobicContact CB-CG 4.03Å; C715-K773 WeakPolarHBondContact O-CD 3.27Å; C715-K773 WeakPolarHBondContact O-CE 3.35Å; C715-K773 PolarHBondContact O-NZ 3.23Å; R716-K773 PolarHBondContact O-NZ 2.88Å; L769-K773 HydrophobicContact CD1-CG 4.42Å; L769-K773 WeakPolarHBondContact O-CG 3.48Å; L769-K773 PolarHBondContact O-N 2.88Å; F770-K773 PolarHBondContact O-N 3.11Å; K773-Y777 WeakPolarHBondContact O-CB 3.45Å; K773-Y777 PolarHBondContact O-N 3.05Å
774	W	94.3	Very high	93.9	Very high	35 Å²	35	50.6 Å²	50.6	13%	0.133	25%	0.25	C	C	.	.	H	α-helix	trans	-56.1	-49.9	174	172.8	-91.8	0	0	0	111.3	L746 F770 S778 Y803 D804 M807	L746-W774 HydrophobicContact CD2-CH2 3.96Å; L746-W774 HydrophobicContact CD2-CZ2 4.35Å; F770-W774 HydrophobicContact CZ-CE3 4.17Å; F770-W774 VanDerWaalsContact O-CB 3.27Å; F770-W774 WeakPolarHBondContact O-CB 3.44Å; F770-W774 PolarHBondContact O-N 2.97Å; W774-S778 PolarHBondContact O-N 2.97Å; W774-S778 VanDerWaalsContact O-N 3.14Å; W774-S778 PolarHBondContact O-OG 3.13Å; W774-Y803 HydrophobicContact CH2-CD2 4.29Å; W774-Y803 AromaticContact CZ2-CD2 3.97Å; W774-Y803 HydrophobicContact CZ2-CD2 3.97Å; W774-Y803 HydrophobicContact CZ2-CG 4.44Å; W774-D804 PolarHBondContact NE1-OD1 3.37Å; W774-D804 VanDerWaalsContact NE1-OD1 3.11Å; W774-M807 HydrophobicContact CD2-CE 4.03Å; W774-M807 HydrophobicContact CD2-CG 4.1Å; W774-M807 HydrophobicContact CE3-CE 3.64Å; W774-M807 HydrophobicContact CG-CG 4.45Å; W774-M807 HydrophobicContact CH2-CE 3.69Å; W774-M807 HydrophobicContact CZ2-CE 4.09Å; W774-M807 HydrophobicContact CZ2-CG 4.1Å; W774-M807 HydrophobicContact CZ3-CE 3.45Å; W774-M807 VanDerWaalsContact CZ3-CE 3.45Å
775	S	94	Very high	94.1	Very high	47 Å²	47	49.2 Å²	49.2	33%	0.329	24%	0.241	S	C	.	.	H	α-helix	trans	-65.8	-43.5	-176.9	-167.7	0	0	0	0	112.3	L771 L772 S779 R800	L771-S775 VanDerWaalsContact O-CB 3.25Å; L771-S775 WeakPolarHBondContact O-CB 3.46Å; L771-S775 PolarHBondContact O-N 3.21Å; L772-S775 PolarHBondContact O-N 2.83Å; S775-S779 VanDerWaalsContact O-CB 3.27Å; S775-S779 WeakPolarHBondContact O-CB 3.3Å; S775-S779 PolarHBondContact O-N 3.28Å; S775-S779 PolarHBondContact O-OG 2.86Å; S775-R800 PolarHBondContact O-NH2 3.05Å; S775-R800 PolarHBondContact OG-NH2 3.4Å
776	F	93.5	Very high	94.3	Very high	68 Å²	68	44.6 Å²	44.6	30%	0.298	23%	0.227	S	C	.	.	H	α-helix	trans	-62.3	-55.5	175	-178.7	-88.6	0	0	0	111.7	A711 V714 C715 L772 S778 S779 M780	A711-F776 HydrophobicContact CB-CE1 4.18Å; V714-F776 HydrophobicContact CB-CE1 3.94Å; V714-F776 HydrophobicContact CB-CE2 4.34Å; V714-F776 HydrophobicContact CB-CZ 3.77Å; V714-F776 HydrophobicContact CG1-CD2 4.26Å; V714-F776 HydrophobicContact CG1-CE1 4.15Å; V714-F776 HydrophobicContact CG1-CE2 3.87Å; V714-F776 HydrophobicContact CG1-CZ 3.81Å; V714-F776 HydrophobicContact CG2-CE1 4.34Å; V714-F776 HydrophobicContact CG2-CE2 4.39Å; V714-F776 HydrophobicContact CG2-CZ 3.77Å; C715-F776 WeakPolarHBondContact SG-CD1 3.25Å; L772-F776 WeakPolarHBondContact O-CB 3.44Å; L772-F776 PolarHBondContact O-N 2.7Å; F776-S778 PolarHBondContact O-N 2.89Å; F776-S779 WeakPolarHBondContact O-CB 3.24Å; F776-S779 PolarHBondContact O-N 3.49Å; F776-S779 VanDerWaalsContact O-N 3.17Å; F776-M780 HydrophobicContact CD1-CG 4.33Å; F776-M780 HydrophobicContact CD1-SD 4.14Å; F776-M780 HydrophobicContact CE1-CG 3.99Å; F776-M780 HydrophobicContact CE1-SD 3.31Å; F776-M780 WeakPolarHBondContact CE1-SD 3.35Å; F776-M780 HydrophobicContact CZ-CG 4.35Å; F776-M780 HydrophobicContact CZ-SD 3.7Å; F776-M780 WeakPolarHBondContact O-CG 3.28Å; F776-M780 PolarHBondContact O-N 2.95Å; F776-M780 VanDerWaalsContact O-N 3.16Å
777	Y	92.8	Very high	94.4	Very high	33 Å²	33	50 Å²	50	13%	0.129	25%	0.253	C	S	.	.	H	α-helix	trans	-60.2	-49.5	-172.3	-168.7	-83.7	0	0	0	112.3	V707 A711 V722 K773 S779 M780 V781	V707-Y777 HydrophobicContact CG1-CE1 4.1Å; V707-Y777 HydrophobicContact CG1-CE2 4.15Å; A711-Y777 HydrophobicContact CB-CD2 3.51Å; A711-Y777 HydrophobicContact CB-CE2 3.67Å; V722-Y777 HydrophobicContact CG1-CE1 4.16Å; V722-Y777 HydrophobicContact CG1-CE2 3.76Å; V722-Y777 VanDerWaalsContact CG1-CZ 3.42Å; V722-Y777 WeakPolarHBondContact CG1-OH 3.45Å; V722-Y777 HydrophobicContact CG2-CE2 4.37Å; K773-Y777 WeakPolarHBondContact O-CB 3.45Å; K773-Y777 PolarHBondContact O-N 3.05Å; Y777-S779 VanDerWaalsContact C-N 3.3Å; Y777-S779 PolarHBondContact O-N 3.41Å; Y777-M780 WeakPolarHBondContact O-CB 3.49Å; Y777-M780 PolarHBondContact O-N 3.06Å; Y777-V781 HydrophobicContact CD1-CG2 4.34Å; Y777-V781 HydrophobicContact CE1-CG2 4.08Å; Y777-V781 PolarHBondContact O-N 2.99Å
778	S	93.8	Very high	94.4	Very high	23 Å²	23	54 Å²	54	16%	0.161	27%	0.269	C	S	.	.	H	α-helix	trans	-72.7	-22.1	-179.2	57.5	0	0	0	0	113	W774 F776 M780 V781 I782 R800	W774-S778 PolarHBondContact O-N 2.97Å; W774-S778 VanDerWaalsContact O-N 3.14Å; W774-S778 PolarHBondContact O-OG 3.13Å; F776-S778 PolarHBondContact O-N 2.89Å; S778-M780 VanDerWaalsContact C-N 3.32Å; S778-V781 PolarHBondContact O-N 2.92Å; S778-I782 WeakPolarHBondContact O-CG1 3.41Å; S778-I782 PolarHBondContact O-N 3.43Å; S778-R800 WeakPolarHBondContact OG-CD 3.19Å; S778-R800 VanDerWaalsContact OG-CZ 3.23Å; S778-R800 PolarHBondContact OG-NE 2.96Å; S778-R800 PolarHBondContact OG-NH1 3.32Å
779	S	94.2	Very high	94.6	Very high	51 Å²	51	51.8 Å²	51.8	36%	0.357	27%	0.266	S	S	.	.	H	α-helix	trans	-66.5	-32.3	166.6	-60.9	0	0	0	0	112.6	S775 F776 Y777 I782 R783 R800	S775-S779 VanDerWaalsContact O-CB 3.27Å; S775-S779 WeakPolarHBondContact O-CB 3.3Å; S775-S779 PolarHBondContact O-N 3.28Å; S775-S779 PolarHBondContact O-OG 2.86Å; F776-S779 WeakPolarHBondContact O-CB 3.24Å; F776-S779 PolarHBondContact O-N 3.49Å; F776-S779 VanDerWaalsContact O-N 3.17Å; Y777-S779 VanDerWaalsContact C-N 3.3Å; Y777-S779 PolarHBondContact O-N 3.41Å; S779-I782 PolarHBondContact O-N 3.39Å; S779-R783 WeakPolarHBondContact O-CB 3.44Å; S779-R783 PolarHBondContact O-N 2.9Å; S779-R800 PolarHBondContact OG-NH2 3.28Å
780	M	93.8	Very high	94.8	Very high	15 Å²	15	47.9 Å²	47.9	7%	0.074	25%	0.247	C	C	.	.	H	α-helix	trans	-67.2	-38.5	172.9	-55.3	-158.8	73.7	0	0	112.3	V707 Q710 A711 F776 Y777 S778 R783 D784	V707-M780 HydrophobicContact CG1-CB 3.89Å; Q710-M780 HydrophobicContact CB-CE 3.55Å; Q710-M780 HydrophobicContact CB-SD 4.39Å; Q710-M780 HydrophobicContact CG-CE 4.46Å; A711-M780 HydrophobicContact CB-SD 3.93Å; F776-M780 HydrophobicContact CD1-CG 4.33Å; F776-M780 HydrophobicContact CD1-SD 4.14Å; F776-M780 HydrophobicContact CE1-CG 3.99Å; F776-M780 HydrophobicContact CE1-SD 3.31Å; F776-M780 WeakPolarHBondContact CE1-SD 3.35Å; F776-M780 HydrophobicContact CZ-CG 4.35Å; F776-M780 HydrophobicContact CZ-SD 3.7Å; F776-M780 WeakPolarHBondContact O-CG 3.28Å; F776-M780 PolarHBondContact O-N 2.95Å; F776-M780 VanDerWaalsContact O-N 3.16Å; Y777-M780 WeakPolarHBondContact O-CB 3.49Å; Y777-M780 PolarHBondContact O-N 3.06Å; S778-M780 VanDerWaalsContact C-N 3.32Å; M780-R783 VanDerWaalsContact CE-NH2 3.31Å; M780-R783 WeakPolarHBondContact O-CB 3.43Å; M780-R783 PolarHBondContact O-N 3.08Å; M780-D784 PolarHBondContact O-N 2.87Å
781	V	94.6	Very high	94.9	Very high	19 Å²	19	50.7 Å²	50.7	12%	0.115	27%	0.273	C	S	.	.	H	α-helix	trans	-62.9	-45.5	173.7	178.3	0	0	0	0	110.9	V702 F704 V707 Y777 S778 R783 D784 L785	V702-V781 HydrophobicContact CG1-CG1 4.45Å; F704-V781 HydrophobicContact CE1-CG1 4.48Å; F704-V781 HydrophobicContact CE1-CG2 4.02Å; F704-V781 HydrophobicContact CZ-CG1 4.49Å; V707-V781 HydrophobicContact CG1-CG2 4.11Å; Y777-V781 HydrophobicContact CD1-CG2 4.34Å; Y777-V781 HydrophobicContact CE1-CG2 4.08Å; Y777-V781 PolarHBondContact O-N 2.99Å; S778-V781 PolarHBondContact O-N 2.92Å; V781-R783 VanDerWaalsContact C-N 3.33Å; V781-R783 PolarHBondContact O-N 3.06Å; V781-D784 PolarHBondContact O-N 3.05Å; V781-L785 HydrophobicContact CG1-CD1 4.24Å; V781-L785 WeakPolarHBondContact O-CG 3.37Å; V781-L785 PolarHBondContact O-N 3.03Å
782	I	96.4	Very high	95.1	Very high	27 Å²	27	49.4 Å²	49.4	14%	0.138	27%	0.267	C	S	.	.	H	α-helix	trans	-61.3	-41	175.1	-67.2	-68.6	0	0	0	111.3	S778 S779 L785 T786 F793 F796 R800	S778-I782 WeakPolarHBondContact O-CG1 3.41Å; S778-I782 PolarHBondContact O-N 3.43Å; S779-I782 PolarHBondContact O-N 3.39Å; I782-L785 HydrophobicContact CD1-CD1 4.43Å; I782-L785 PolarHBondContact O-N 3.35Å; I782-T786 PolarHBondContact O-N 2.94Å; I782-T786 PolarHBondContact O-OG1 2.88Å; I782-F793 HydrophobicContact CG2-CE2 3.89Å; I782-F793 HydrophobicContact CG2-CZ 4.48Å; I782-F796 HydrophobicContact CD1-CB 3.98Å; I782-R800 HydrophobicContact CD1-CB 4.08Å; I782-R800 HydrophobicContact CD1-CG 4.47Å; I782-R800 HydrophobicContact CG1-CB 4.23Å; I782-R800 HydrophobicContact CG1-CG 4.09Å
783	R	95.7	Very high	95.2	Very high	105 Å²	105	47.3 Å²	47.3	40%	0.396	25%	0.253	S	S	.	.	H	α-helix	trans	-60.9	-43.7	175.6	-174.8	-166.5	67.4	172	1.9	112.2	S779 M780 V781 T786 L787	S779-R783 WeakPolarHBondContact O-CB 3.44Å; S779-R783 PolarHBondContact O-N 2.9Å; M780-R783 VanDerWaalsContact CE-NH2 3.31Å; M780-R783 WeakPolarHBondContact O-CB 3.43Å; M780-R783 PolarHBondContact O-N 3.08Å; V781-R783 VanDerWaalsContact C-N 3.33Å; V781-R783 PolarHBondContact O-N 3.06Å; R783-T786 WeakPolarHBondContact O-CB 3.46Å; R783-T786 PolarHBondContact O-N 3.46Å; R783-L787 HydrophobicContact CG-CD1 4.45Å; R783-L787 WeakPolarHBondContact O-CG 3.44Å; R783-L787 PolarHBondContact O-N 3.21Å
784	D	95.9	Very high	95.4	Very high	7 Å²	7	47.1 Å²	47.1	4%	0.037	27%	0.267	C	S	.	.	H	α-helix	trans	-67.9	-38.6	178.9	-170.4	67.7	0	0	0	112	V702 D703 V707 M780 V781 T786 L787 R788	V702-D784 VanDerWaalsContact CA-OD2 3.3Å; V702-D784 WeakPolarHBondContact CA-OD2 3.38Å; V702-D784 HydrophobicContact CG1-CB 4.47Å; V702-D784 WeakPolarHBondContact CG1-OD2 3.28Å; D703-D784 PolarHBondContact N-OD2 3.46Å; V707-D784 HydrophobicContact CG2-CB 4.31Å; M780-D784 PolarHBondContact O-N 2.87Å; V781-D784 PolarHBondContact O-N 3.05Å; D784-T786 VanDerWaalsContact C-N 3.34Å; D784-T786 PolarHBondContact O-N 2.35Å; D784-L787 PolarHBondContact O-N 3.02Å; D784-R788 VanDerWaalsContact CG-NE 3.27Å; D784-R788 WeakPolarHBondContact O-CG 3.32Å; D784-R788 PolarHBondContact O-N 3.5Å; D784-R788 IonicContact OD1-CZ 2.78Å; D784-R788 IonicContact OD1-NE 3.29Å; D784-R788 PolarHBondContact OD1-NE 2.88Å; D784-R788 IonicContact OD1-NH2 3.44Å; D784-R788 PolarHBondContact OD1-NH2 3.49Å; D784-R788 IonicContact OD2-CZ 2.81Å; D784-R788 VanDerWaalsContact OD2-CZ 3.3Å; D784-R788 IonicContact OD2-NE 2.69Å; D784-R788 PolarHBondContact OD2-NE 3.31Å; D784-R788 IonicContact OD2-NH2 3.37Å; D784-R788 PolarHBondContact OD2-NH2 2.9Å
785	L	96.6	Very high	95.5	Very high	1 Å²	1	46.3 Å²	46.3	1%	0.005	27%	0.267	C	S	.	.	H	α-helix	trans	-60.4	-39.2	170.3	-73.1	166.8	0	0	0	112.6	D698 V702 V781 I782 S789 A790 F793 F796	D698-L785 HydrophobicContact CB-CD2 4.29Å; V702-L785 HydrophobicContact CG2-CD2 3.5Å; V702-L785 HydrophobicContact CG2-CG 3.78Å; V781-L785 HydrophobicContact CG1-CD1 4.24Å; V781-L785 WeakPolarHBondContact O-CG 3.37Å; V781-L785 PolarHBondContact O-N 3.03Å; I782-L785 HydrophobicContact CD1-CD1 4.43Å; I782-L785 PolarHBondContact O-N 3.35Å; L785-S789 PolarHBondContact O-N 3.48Å; L785-A790 HydrophobicContact CB-CB 4.15Å; L785-A790 HydrophobicContact CD2-CB 3.74Å; L785-A790 WeakPolarHBondContact O-CB 3.47Å; L785-A790 PolarHBondContact O-N 2.98Å; L785-F793 HydrophobicContact CB-CD2 4.44Å; L785-F796 HydrophobicContact CD1-CB 3.85Å; L785-F796 HydrophobicContact CD1-CD1 4.15Å; L785-F796 HydrophobicContact CD1-CD2 3.75Å; L785-F796 HydrophobicContact CD1-CE2 4.35Å; L785-F796 HydrophobicContact CD1-CG 3.64Å; L785-F796 HydrophobicContact CD2-CD2 4.31Å; L785-F796 HydrophobicContact CD2-CE2 4.39Å
786	T	96.2	Very high	95.7	Very high	74 Å²	74	44.6 Å²	44.6	45%	0.454	25%	0.253	S	S	.	.	H	α-helix	trans	-62.1	-49.5	172.9	-55.5	0	0	0	0	111.3	I782 R783 D784 R788 S789 F793	I782-T786 PolarHBondContact O-N 2.94Å; I782-T786 PolarHBondContact O-OG1 2.88Å; R783-T786 WeakPolarHBondContact O-CB 3.46Å; R783-T786 PolarHBondContact O-N 3.46Å; D784-T786 VanDerWaalsContact C-N 3.34Å; D784-T786 PolarHBondContact O-N 2.35Å; T786-R788 VanDerWaalsContact C-N 3.26Å; T786-R788 PolarHBondContact O-N 3.18Å; T786-S789 WeakPolarHBondContact O-CA 3.17Å; T786-S789 PolarHBondContact O-N 2.8Å; T786-F793 WeakPolarHBondContact OG1-CE2 2.93Å
787	L	95.4	Very high	95.9	Very high	127 Å²	127	45.2 Å²	45.2	67%	0.665	26%	0.257	S	S	*	.	H	α-helix	trans	-61.2	-34.4	-179.2	-70.2	170.2	0	0	0	112.2	R783 D784 S789	R783-L787 HydrophobicContact CG-CD1 4.45Å; R783-L787 WeakPolarHBondContact O-CG 3.44Å; R783-L787 PolarHBondContact O-N 3.21Å; D784-L787 PolarHBondContact O-N 3.02Å; L787-S789 VanDerWaalsContact C-N 3.27Å; L787-S789 PolarHBondContact O-N 3.27Å
788	R	95.1	Very high	96.1	Very high	86 Å²	86	45.4 Å²	45.4	33%	0.325	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.8	0.7	175.6	-63.6	177.3	-156.1	-99.5	-21.9	114.1	R701 D784 T786 A790	R701-R788 WeakPolarHBondContact O-CD 3.46Å; R701-R788 VanDerWaalsContact O-CZ 3.23Å; R701-R788 PolarHBondContact O-NE 3.23Å; R701-R788 PolarHBondContact O-NH1 2.95Å; D784-R788 VanDerWaalsContact CG-NE 3.27Å; D784-R788 WeakPolarHBondContact O-CG 3.32Å; D784-R788 PolarHBondContact O-N 3.5Å; D784-R788 IonicContact OD1-CZ 2.78Å; D784-R788 IonicContact OD1-NE 3.29Å; D784-R788 PolarHBondContact OD1-NE 2.88Å; D784-R788 IonicContact OD1-NH2 3.44Å; D784-R788 PolarHBondContact OD1-NH2 3.49Å; D784-R788 IonicContact OD2-CZ 2.81Å; D784-R788 VanDerWaalsContact OD2-CZ 3.3Å; D784-R788 IonicContact OD2-NE 2.69Å; D784-R788 PolarHBondContact OD2-NE 3.31Å; D784-R788 IonicContact OD2-NH2 3.37Å; D784-R788 PolarHBondContact OD2-NH2 2.9Å; T786-R788 VanDerWaalsContact C-N 3.26Å; T786-R788 PolarHBondContact O-N 3.18Å; R788-A790 VanDerWaalsContact C-N 3.28Å; R788-A790 PolarHBondContact O-N 3.09Å
789	S	96.4	Very high	96.2	Very high	58 Å²	58	44.5 Å²	44.5	41%	0.406	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.8	46.1	-175.8	-60.9	0	0	0	0	112.7	Y114 L785 T786 L787 A791	Y114-S789 WeakPolarHBondContact CE1-O 3.19Å; L785-S789 PolarHBondContact O-N 3.48Å; T786-S789 WeakPolarHBondContact O-CA 3.17Å; T786-S789 PolarHBondContact O-N 2.8Å; L787-S789 VanDerWaalsContact C-N 3.27Å; L787-S789 PolarHBondContact O-N 3.27Å; S789-A791 PolarHBondContact O-N 3.36Å
790	A	96.9	Very high	96.3	Very high	7 Å²	7	43.4 Å²	43.4	6%	0.058	24%	0.241	C	C	.	.			trans	-54.8	126.5	-176.7	0	0	0	0	0	112	D698 L785 R788 S792 F793	D698-A790 HydrophobicContact CB-CB 3.86Å; L785-A790 HydrophobicContact CB-CB 4.15Å; L785-A790 HydrophobicContact CD2-CB 3.74Å; L785-A790 WeakPolarHBondContact O-CB 3.47Å; L785-A790 PolarHBondContact O-N 2.98Å; R788-A790 VanDerWaalsContact C-N 3.28Å; R788-A790 PolarHBondContact O-N 3.09Å; A790-S792 PolarHBondContact O-N 3.17Å; A790-F793 HydrophobicContact CB-CB 4.41Å; A790-F793 WeakPolarHBondContact O-CB 3.4Å; A790-F793 PolarHBondContact O-N 2.78Å
791	A	96.8	Very high	96.4	Very high	78 Å²	78	46.3 Å²	46.3	65%	0.645	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.8	-26.8	-178.1	0	0	0	0	0	112.1	Q694 D698 S789	Q694-A791 HydrophobicContact CG-CB 4.24Å; D698-A791 PolarHBondContact OD2-N 3.25Å; D698-A791 VanDerWaalsContact OD2-N 3.13Å; S789-A791 PolarHBondContact O-N 3.36Å
792	S	97.2	Very high	96.6	Very high	7 Å²	7	45.5 Å²	45.5	5%	0.049	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89	6.9	174.3	57.7	0	0	0	0	115.2	M695 D698 A790 G794 S795 F796	M695-S792 VanDerWaalsContact CG-CB 3.5Å; D698-S792 WeakPolarHBondContact CB-OG 3.46Å; D698-S792 WeakPolarHBondContact OD2-CB 3.26Å; D698-S792 PolarHBondContact OD2-N 2.98Å; D698-S792 PolarHBondContact OD2-OG 3.46Å; A790-S792 PolarHBondContact O-N 3.17Å; S792-G794 VanDerWaalsContact C-N 3.29Å; S792-G794 PolarHBondContact O-N 3.02Å; S792-G794 VanDerWaalsContact O-N 3.12Å; S792-S795 WeakPolarHBondContact O-CA 3.5Å; S792-S795 WeakPolarHBondContact O-CB 3.5Å; S792-S795 PolarHBondContact O-N 2.86Å; S792-F796 PolarHBondContact O-N 3.07Å; S792-F796 WeakPolarHBondContact OG-CE2 3.41Å
793	F	97.3	Very high	96.6	Very high	71 Å²	71	44.7 Å²	44.7	31%	0.311	25%	0.247	S	C	.	.	H	α-helix	trans	-46.9	-46.3	-175.9	170.6	-96.5	0	0	0	114	I782 L785 T786 A790 S795 F796 H797	I782-F793 HydrophobicContact CG2-CE2 3.89Å; I782-F793 HydrophobicContact CG2-CZ 4.48Å; L785-F793 HydrophobicContact CB-CD2 4.44Å; T786-F793 WeakPolarHBondContact OG1-CE2 2.93Å; A790-F793 HydrophobicContact CB-CB 4.41Å; A790-F793 WeakPolarHBondContact O-CB 3.4Å; A790-F793 PolarHBondContact O-N 2.78Å; F793-S795 VanDerWaalsContact C-N 3.26Å; F793-S795 PolarHBondContact O-N 2.73Å; F793-F796 PolarHBondContact O-N 3.36Å; F793-H797 HydrophobicContact CE1-CB 4.41Å; F793-H797 HydrophobicContact CZ-CB 4.38Å; F793-H797 WeakPolarHBondContact O-CB 3.42Å; F793-H797 PolarHBondContact O-N 3.24Å
794	G	96.9	Very high	96.6	Very high	51 Å²	51	41.4 Å²	41.4	53%	0.526	24%	0.238	S	C	.	.	H	α-helix	trans	-63	-30.1	-179.9	0	0	0	0	0	113.9	S792 L798	S792-G794 VanDerWaalsContact C-N 3.29Å; S792-G794 PolarHBondContact O-N 3.02Å; S792-G794 VanDerWaalsContact O-N 3.12Å; G794-L798 WeakPolarHBondContact O-CB 3.41Å; G794-L798 PolarHBondContact O-N 3.37Å; G794-L798 VanDerWaalsContact O-N 3.11Å
795	S	97	Very high	96.6	Very high	17 Å²	17	44.2 Å²	44.2	12%	0.119	25%	0.25	C	S	.	.	H	α-helix	trans	-74	-43.2	175	-60.8	0	0	0	0	111.2	M695 S792 F793 L798 I799	M695-S795 WeakPolarHBondContact SD-CB 3.36Å; S792-S795 WeakPolarHBondContact O-CA 3.5Å; S792-S795 WeakPolarHBondContact O-CB 3.5Å; S792-S795 PolarHBondContact O-N 2.86Å; F793-S795 VanDerWaalsContact C-N 3.26Å; F793-S795 PolarHBondContact O-N 2.73Å; S795-L798 PolarHBondContact O-N 2.84Å; S795-I799 WeakPolarHBondContact O-CG1 3.14Å; S795-I799 PolarHBondContact O-N 2.85Å
796	F	97.3	Very high	96.7	Very high	11 Å²	11	45.4 Å²	45.4	5%	0.048	26%	0.255	C	S	.	.	H	α-helix	trans	-62.4	-41.7	173.1	-82.9	-66.7	0	0	0	112.8	M695 L699 F729 I782 L785 S792 F793 I799 R800	M695-F796 HydrophobicContact CB-CE2 3.7Å; M695-F796 HydrophobicContact CB-CZ 3.66Å; M695-F796 HydrophobicContact CE-CD1 3.64Å; M695-F796 HydrophobicContact CE-CD2 4.01Å; M695-F796 HydrophobicContact CE-CE1 3.6Å; M695-F796 HydrophobicContact CE-CE2 4Å; M695-F796 HydrophobicContact CE-CG 3.82Å; M695-F796 HydrophobicContact CE-CZ 3.77Å; M695-F796 HydrophobicContact CG-CD2 4.25Å; M695-F796 HydrophobicContact CG-CE2 3.81Å; M695-F796 HydrophobicContact CG-CZ 4.1Å; M695-F796 WeakPolarHBondContact O-CE2 3.35Å; M695-F796 WeakPolarHBondContact O-CZ 3.39Å; L699-F796 HydrophobicContact CB-CZ 3.93Å; L699-F796 HydrophobicContact CD1-CE1 4.06Å; L699-F796 HydrophobicContact CD1-CZ 4.05Å; L699-F796 HydrophobicContact CG-CZ 4.44Å; F729-F796 AromaticContact CE1-CE1 3.96Å; F729-F796 HydrophobicContact CE1-CE1 3.96Å; F729-F796 HydrophobicContact CZ-CE1 4Å; I782-F796 HydrophobicContact CD1-CB 3.98Å; L785-F796 HydrophobicContact CD1-CB 3.85Å; L785-F796 HydrophobicContact CD1-CD1 4.15Å; L785-F796 HydrophobicContact CD1-CD2 3.75Å; L785-F796 HydrophobicContact CD1-CE2 4.35Å; L785-F796 HydrophobicContact CD1-CG 3.64Å; L785-F796 HydrophobicContact CD2-CD2 4.31Å; L785-F796 HydrophobicContact CD2-CE2 4.39Å; S792-F796 PolarHBondContact O-N 3.07Å; S792-F796 WeakPolarHBondContact OG-CE2 3.41Å; F793-F796 PolarHBondContact O-N 3.36Å; F796-I799 PolarHBondContact O-N 3.06Å; F796-R800 WeakPolarHBondContact O-CB 3.2Å; F796-R800 PolarHBondContact O-N 3.31Å
797	H	97	Very high	96.7	Very high	82 Å²	82	41.9 Å²	41.9	38%	0.38	23%	0.233	S	C	.	.	H	α-helix	trans	-63.7	-40.7	176.8	-175.1	64.4	0	0	0	112	F793 R800 L801	F793-H797 HydrophobicContact CE1-CB 4.41Å; F793-H797 HydrophobicContact CZ-CB 4.38Å; F793-H797 WeakPolarHBondContact O-CB 3.42Å; F793-H797 PolarHBondContact O-N 3.24Å; H797-R800 PolarHBondContact O-N 3.32Å; H797-L801 WeakPolarHBondContact O-CG 3.34Å; H797-L801 PolarHBondContact O-N 3.17Å
798	L	97.3	Very high	96.8	Very high	37 Å²	37	39.7 Å²	39.7	19%	0.194	22%	0.217	C	C	.	.	H	α-helix	trans	-65	-42.4	174.6	178.9	60	0	0	0	112.6	L678 A681 V685 G794 S795 L801 L802	L678-L798 HydrophobicContact CD2-CD1 4.01Å; A681-L798 HydrophobicContact CB-CD1 4.05Å; A681-L798 HydrophobicContact CB-CD2 3.93Å; V685-L798 HydrophobicContact CG2-CD2 4.01Å; G794-L798 WeakPolarHBondContact O-CB 3.41Å; G794-L798 PolarHBondContact O-N 3.37Å; G794-L798 VanDerWaalsContact O-N 3.11Å; S795-L798 PolarHBondContact O-N 2.84Å; L798-L801 PolarHBondContact O-N 3.12Å; L798-L802 PolarHBondContact O-N 3.47Å
799	I	96.3	Very high	96.8	Very high	4 Å²	4	37.7 Å²	37.7	2%	0.021	21%	0.21	C	C	.	.	H	α-helix	trans	-64.8	-42	176.1	-70.6	-170.5	0	0	0	111.1	L686 M695 S795 F796 L802 Y803	L686-I799 HydrophobicContact CD2-CD1 3.83Å; L686-I799 HydrophobicContact CG-CD1 4.33Å; M695-I799 HydrophobicContact CE-CD1 3.71Å; S795-I799 WeakPolarHBondContact O-CG1 3.14Å; S795-I799 PolarHBondContact O-N 2.85Å; F796-I799 PolarHBondContact O-N 3.06Å; I799-L802 PolarHBondContact O-N 3.21Å; I799-Y803 HydrophobicContact CG2-CD1 3.99Å; I799-Y803 HydrophobicContact CG2-CD2 4Å; I799-Y803 HydrophobicContact CG2-CE1 3.59Å; I799-Y803 HydrophobicContact CG2-CE2 3.62Å; I799-Y803 HydrophobicContact CG2-CG 4.17Å; I799-Y803 WeakPolarHBondContact O-CB 3.31Å; I799-Y803 WeakPolarHBondContact O-CD1 3.33Å; I799-Y803 PolarHBondContact O-N 3.45Å
800	R	96.1	Very high	96.8	Very high	27 Å²	27	35.3 Å²	35.3	10%	0.102	19%	0.192	C	C	.	.	H	α-helix	trans	-55.2	-52.9	172.2	169.7	74.7	170.8	121.7	23.6	111.3	S775 S778 S779 I782 F796 H797 L802 Y803 D804	S775-R800 PolarHBondContact O-NH2 3.05Å; S775-R800 PolarHBondContact OG-NH2 3.4Å; S778-R800 WeakPolarHBondContact OG-CD 3.19Å; S778-R800 VanDerWaalsContact OG-CZ 3.23Å; S778-R800 PolarHBondContact OG-NE 2.96Å; S778-R800 PolarHBondContact OG-NH1 3.32Å; S779-R800 PolarHBondContact OG-NH2 3.28Å; I782-R800 HydrophobicContact CD1-CB 4.08Å; I782-R800 HydrophobicContact CD1-CG 4.47Å; I782-R800 HydrophobicContact CG1-CB 4.23Å; I782-R800 HydrophobicContact CG1-CG 4.09Å; F796-R800 WeakPolarHBondContact O-CB 3.2Å; F796-R800 PolarHBondContact O-N 3.31Å; H797-R800 PolarHBondContact O-N 3.32Å; R800-L802 VanDerWaalsContact C-N 3.29Å; R800-L802 PolarHBondContact O-N 3.07Å; R800-Y803 PolarHBondContact O-N 3.29Å; R800-Y803 VanDerWaalsContact O-N 3.16Å; R800-D804 IonicContact CZ-OD1 3.23Å; R800-D804 IonicContact CZ-OD2 2.76Å; R800-D804 IonicContact NE-OD2 2.77Å; R800-D804 PolarHBondContact NE-OD2 2.85Å; R800-D804 IonicContact NH1-OD1 3.57Å; R800-D804 PolarHBondContact NH1-OD1 3.03Å; R800-D804 IonicContact NH1-OD2 2.63Å; R800-D804 PolarHBondContact NH1-OD2 3.17Å; R800-D804 IonicContact NH2-OD2 3.9Å; R800-D804 PolarHBondContact NH2-OD2 3.16Å; R800-D804 VanDerWaalsContact NH2-OD2 3.17Å; R800-D804 PolarHBondContact O-N 3Å
801	L	97.1	Very high	96.8	Very high	76 Å²	76	35.2 Å²	35.2	40%	0.398	19%	0.191	S	C	.	.	H	α-helix	trans	-58.1	-39.7	179.1	-72	172.7	0	0	0	112.7	L678 H797 L798	L678-L801 HydrophobicContact CD2-CB 4.15Å; H797-L801 WeakPolarHBondContact O-CG 3.34Å; H797-L801 PolarHBondContact O-N 3.17Å; L798-L801 PolarHBondContact O-N 3.12Å
802	L	97.7	Very high	96.6	Very high	3 Å²	3	31.9 Å²	31.9	2%	0.016	16%	0.162	C	C	.	.	H	α-helix	trans	-66.2	-47.9	174.5	173	57	0	0	0	112.1	L675 L678 A679 A682 L739 L798 I799 R800 D804 E805 Y806	L675-L802 HydrophobicContact CD1-CD1 3.54Å; L678-L802 HydrophobicContact CB-CB 4.24Å; L678-L802 HydrophobicContact CB-CD1 3.99Å; A679-L802 HydrophobicContact CB-CD1 4.19Å; A682-L802 HydrophobicContact CB-CD2 3.31Å; L739-L802 HydrophobicContact CD1-CD2 3.71Å; L739-L802 HydrophobicContact CD2-CD2 4.29Å; L798-L802 PolarHBondContact O-N 3.47Å; I799-L802 PolarHBondContact O-N 3.21Å; R800-L802 VanDerWaalsContact C-N 3.29Å; R800-L802 PolarHBondContact O-N 3.07Å; L802-D804 PolarHBondContact O-N 3.45Å; L802-E805 PolarHBondContact O-N 3.32Å; L802-Y806 VanDerWaalsContact O-CB 3.31Å; L802-Y806 WeakPolarHBondContact O-CB 3.44Å; L802-Y806 PolarHBondContact O-N 2.93Å
803	Y	96.8	Very high	96.5	Very high	9 Å²	9	33.9 Å²	33.9	4%	0.035	17%	0.17	C	C	.	.	H	α-helix	trans	-66.7	-24.8	-176.2	-72.3	8.5	0	0	0	112.1	F729 W742 W745 L746 W774 I799 R800 M807	F729-Y803 HydrophobicContact CD2-CE2 4.29Å; F729-Y803 AromaticContact CE2-CE2 3.85Å; F729-Y803 HydrophobicContact CE2-CE2 3.85Å; W742-Y803 HydrophobicContact CE3-CE2 4.47Å; W742-Y803 AromaticContact CE3-CZ 3.94Å; W742-Y803 WeakPolarHBondContact CZ3-OH 3.26Å; W745-Y803 HydrophobicContact CZ3-CE2 4.17Å; L746-Y803 HydrophobicContact CD1-CD1 3.67Å; L746-Y803 HydrophobicContact CD1-CD2 4.35Å; L746-Y803 HydrophobicContact CD1-CE1 3.86Å; L746-Y803 HydrophobicContact CD1-CE2 4.5Å; L746-Y803 HydrophobicContact CD1-CG 3.95Å; L746-Y803 HydrophobicContact CD2-CD2 3.92Å; L746-Y803 HydrophobicContact CD2-CE2 4.17Å; L746-Y803 HydrophobicContact CD2-CG 4.19Å; W774-Y803 HydrophobicContact CH2-CD2 4.29Å; W774-Y803 AromaticContact CZ2-CD2 3.97Å; W774-Y803 HydrophobicContact CZ2-CD2 3.97Å; W774-Y803 HydrophobicContact CZ2-CG 4.44Å; I799-Y803 HydrophobicContact CG2-CD1 3.99Å; I799-Y803 HydrophobicContact CG2-CD2 4Å; I799-Y803 HydrophobicContact CG2-CE1 3.59Å; I799-Y803 HydrophobicContact CG2-CE2 3.62Å; I799-Y803 HydrophobicContact CG2-CG 4.17Å; I799-Y803 WeakPolarHBondContact O-CB 3.31Å; I799-Y803 WeakPolarHBondContact O-CD1 3.33Å; I799-Y803 PolarHBondContact O-N 3.45Å; R800-Y803 PolarHBondContact O-N 3.29Å; R800-Y803 VanDerWaalsContact O-N 3.16Å; Y803-M807 WeakPolarHBondContact O-CB 3.45Å; Y803-M807 WeakPolarHBondContact O-CG 3.41Å; Y803-M807 PolarHBondContact O-N 3.01Å
804	D	96.1	Very high	96.4	Very high	37 Å²	37	33.2 Å²	33.2	20%	0.198	17%	0.166	C	C	.	.	H	α-helix	trans	-72.8	-50.3	178.2	-69.1	-3.1	0	0	0	112	W774 R800 L802 Y806 Y808	W774-D804 PolarHBondContact NE1-OD1 3.37Å; W774-D804 VanDerWaalsContact NE1-OD1 3.11Å; R800-D804 IonicContact CZ-OD1 3.23Å; R800-D804 IonicContact CZ-OD2 2.76Å; R800-D804 IonicContact NE-OD2 2.77Å; R800-D804 PolarHBondContact NE-OD2 2.85Å; R800-D804 IonicContact NH1-OD1 3.57Å; R800-D804 PolarHBondContact NH1-OD1 3.03Å; R800-D804 IonicContact NH1-OD2 2.63Å; R800-D804 PolarHBondContact NH1-OD2 3.17Å; R800-D804 IonicContact NH2-OD2 3.9Å; R800-D804 PolarHBondContact NH2-OD2 3.16Å; R800-D804 VanDerWaalsContact NH2-OD2 3.17Å; R800-D804 PolarHBondContact O-N 3Å; L802-D804 PolarHBondContact O-N 3.45Å; D804-Y806 VanDerWaalsContact C-N 3.28Å; D804-Y806 PolarHBondContact O-N 3Å; D804-Y808 WeakPolarHBondContact O-CB 3.43Å; D804-Y808 PolarHBondContact O-N 2.87Å
805	E	96.2	Very high	96.3	Very high	65 Å²	65	31.2 Å²	31.2	30%	0.304	14%	0.143	S	C	.	.	H	α-helix	trans	-66.2	-32.2	173.8	-70.4	-62.9	154.6	0	0	111.6	R671 L675 L678 L802 Y809	R671-E805 IonicContact CZ-OE2 3.26Å; R671-E805 IonicContact NE-OE2 2.69Å; R671-E805 PolarHBondContact NE-OE2 2.99Å; R671-E805 IonicContact NH2-OE2 2.77Å; R671-E805 PolarHBondContact NH2-OE2 3.39Å; L675-E805 HydrophobicContact CB-CB 4.36Å; L675-E805 HydrophobicContact CD1-CB 3.9Å; L678-E805 HydrophobicContact CD1-CG 4.24Å; L802-E805 PolarHBondContact O-N 3.32Å; E805-Y809 VanDerWaalsContact O-CB 3.24Å; E805-Y809 WeakPolarHBondContact O-CB 3.47Å; E805-Y809 PolarHBondContact O-N 2.68Å
806	Y	97.9	Very high	96.1	Very high	26 Å²	26	30.4 Å²	30.4	10%	0.102	14%	0.138	C	C	.	.	H	α-helix	trans	-75.2	-41	176.6	-162.3	-106.3	0	0	0	113	V620 L621 L675 A743 L746 L802 D804 Y808 Y809 L810	V620-Y806 HydrophobicContact CG2-CD2 4.22Å; V620-Y806 HydrophobicContact CG2-CE2 3.86Å; L621-Y806 HydrophobicContact CD1-CE2 4.3Å; L621-Y806 HydrophobicContact CD2-CD2 4.15Å; L621-Y806 HydrophobicContact CD2-CE2 4.03Å; L621-Y806 HydrophobicContact CG-CE2 4.26Å; L675-Y806 HydrophobicContact CD1-CD2 4.3Å; L675-Y806 HydrophobicContact CD2-CD2 4.29Å; A743-Y806 HydrophobicContact CB-CE1 3.68Å; L746-Y806 HydrophobicContact CB-CD1 4.17Å; L746-Y806 HydrophobicContact CB-CE1 4.33Å; L746-Y806 HydrophobicContact CD1-CD1 3.73Å; L746-Y806 HydrophobicContact CD1-CE1 4.42Å; L802-Y806 VanDerWaalsContact O-CB 3.31Å; L802-Y806 WeakPolarHBondContact O-CB 3.44Å; L802-Y806 PolarHBondContact O-N 2.93Å; D804-Y806 VanDerWaalsContact C-N 3.28Å; D804-Y806 PolarHBondContact O-N 3Å; Y806-Y808 VanDerWaalsContact C-N 3.33Å; Y806-Y809 AromaticContact CD2-CD1 3.97Å; Y806-Y809 HydrophobicContact CD2-CD1 3.97Å; Y806-Y809 AromaticContact CE2-CD1 3.69Å; Y806-Y809 HydrophobicContact CE2-CD1 3.69Å; Y806-Y809 AromaticContact CE2-CE1 3.91Å; Y806-Y809 HydrophobicContact CE2-CE1 3.91Å; Y806-Y809 WeakPolarHBondContact O-CB 3.38Å; Y806-Y809 PolarHBondContact O-N 2.99Å; Y806-L810 HydrophobicContact CD1-CD1 3.76Å; Y806-L810 HydrophobicContact CD1-CG 4.07Å; Y806-L810 HydrophobicContact CE1-CD1 3.59Å; Y806-L810 HydrophobicContact CE1-CD2 3.99Å; Y806-L810 HydrophobicContact CE1-CG 3.79Å; Y806-L810 WeakPolarHBondContact O-CG 3.43Å; Y806-L810 PolarHBondContact O-N 3Å
807	M	96.9	Very high	95.9	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-62.7	-41.4	171.7	-79.6	-61.1	-155.8	0	0	110.8	L746 V749 V750 F770 L771 W774 Y803 L810 I811	L746-M807 HydrophobicContact CB-CE 4.36Å; L746-M807 HydrophobicContact CB-SD 4.37Å; L746-M807 HydrophobicContact CD2-CE 3.65Å; L746-M807 HydrophobicContact CD2-SD 4.35Å; V749-M807 HydrophobicContact CB-CE 4.23Å; V749-M807 HydrophobicContact CG1-CE 3.89Å; V750-M807 HydrophobicContact CG2-CE 4.3Å; V750-M807 HydrophobicContact CG2-SD 3.43Å; V750-M807 WeakPolarHBondContact CG2-SD 3.3Å; F770-M807 HydrophobicContact CE1-CE 4.2Å; F770-M807 HydrophobicContact CE1-SD 4.28Å; F770-M807 HydrophobicContact CZ-CE 4.15Å; L771-M807 HydrophobicContact CD2-CB 3.9Å; W774-M807 HydrophobicContact CD2-CE 4.03Å; W774-M807 HydrophobicContact CD2-CG 4.1Å; W774-M807 HydrophobicContact CE3-CE 3.64Å; W774-M807 HydrophobicContact CG-CG 4.45Å; W774-M807 HydrophobicContact CH2-CE 3.69Å; W774-M807 HydrophobicContact CZ2-CE 4.09Å; W774-M807 HydrophobicContact CZ2-CG 4.1Å; W774-M807 HydrophobicContact CZ3-CE 3.45Å; W774-M807 VanDerWaalsContact CZ3-CE 3.45Å; Y803-M807 WeakPolarHBondContact O-CB 3.45Å; Y803-M807 WeakPolarHBondContact O-CG 3.41Å; Y803-M807 PolarHBondContact O-N 3.01Å; M807-L810 PolarHBondContact O-N 3.21Å; M807-L810 HydrophobicContact SD-CD1 4.27Å; M807-I811 VanDerWaalsContact O-CB 3.3Å; M807-I811 WeakPolarHBondContact O-CB 3.4Å; M807-I811 WeakPolarHBondContact O-CG1 3.46Å; M807-I811 PolarHBondContact O-N 2.93Å
808	Y	95.6	Very high	95.7	Very high	82 Å²	82	35.7 Å²	35.7	32%	0.322	17%	0.173	S	C	.	.	H	α-helix	trans	-59.2	-51.3	172.5	-164.7	-63	0	0	0	110.3	L771 D804 Y806 L810 I811 E812 M827	L771-Y808 HydrophobicContact CD1-CD2 4.1Å; L771-Y808 HydrophobicContact CD1-CG 4.38Å; D804-Y808 WeakPolarHBondContact O-CB 3.43Å; D804-Y808 PolarHBondContact O-N 2.87Å; Y806-Y808 VanDerWaalsContact C-N 3.33Å; Y808-L810 VanDerWaalsContact C-N 3.34Å; Y808-L810 PolarHBondContact O-N 3.33Å; Y808-I811 PolarHBondContact O-N 3.05Å; Y808-I811 VanDerWaalsContact O-N 3.13Å; Y808-E812 HydrophobicContact CD1-CB 4.18Å; Y808-E812 VanDerWaalsContact CD1-OE2 3.27Å; Y808-E812 WeakPolarHBondContact CD1-OE2 3.28Å; Y808-E812 HydrophobicContact CE1-CB 4.32Å; Y808-E812 HydrophobicContact CE1-CG 4.47Å; Y808-E812 VanDerWaalsContact CE1-OE2 3.26Å; Y808-E812 WeakPolarHBondContact CE1-OE2 3.39Å; Y808-E812 VanDerWaalsContact O-CB 3.22Å; Y808-E812 WeakPolarHBondContact O-CB 3.19Å; Y808-E812 PolarHBondContact O-N 3.24Å; Y808-M827 HydrophobicContact CE1-CE 4.3Å; Y808-M827 HydrophobicContact CE1-SD 3.88Å
809	Y	96.4	Very high	95.4	Very high	44 Å²	44	37.5 Å²	37.5	17%	0.173	18%	0.179	C	C	.	.	H	α-helix	trans	-54	-45.7	177.6	166.3	-90.2	0	0	0	112.6	V620 Y672 L675 E805 Y806 H813	V620-Y809 HydrophobicContact CG1-CD2 4.19Å; V620-Y809 HydrophobicContact CG1-CE2 3.72Å; V620-Y809 HydrophobicContact CG2-CD1 4.39Å; V620-Y809 HydrophobicContact CG2-CD2 4.5Å; V620-Y809 HydrophobicContact CG2-CE1 4.09Å; V620-Y809 HydrophobicContact CG2-CE2 4.18Å; Y672-Y809 HydrophobicContact CD1-CD2 4.28Å; Y672-Y809 HydrophobicContact CD2-CE2 4.33Å; Y672-Y809 AromaticContact CE1-CD2 3.82Å; Y672-Y809 HydrophobicContact CE1-CD2 3.82Å; Y672-Y809 HydrophobicContact CE1-CE2 4.39Å; Y672-Y809 HydrophobicContact CE2-CD2 4.12Å; Y672-Y809 AromaticContact CE2-CE2 3.84Å; Y672-Y809 HydrophobicContact CE2-CE2 3.84Å; Y672-Y809 AromaticContact CZ-CD2 3.76Å; Y672-Y809 AromaticContact CZ-CE2 3.92Å; L675-Y809 HydrophobicContact CD2-CD2 4.24Å; L675-Y809 HydrophobicContact CD2-CG 4.07Å; E805-Y809 VanDerWaalsContact O-CB 3.24Å; E805-Y809 WeakPolarHBondContact O-CB 3.47Å; E805-Y809 PolarHBondContact O-N 2.68Å; Y806-Y809 AromaticContact CD2-CD1 3.97Å; Y806-Y809 HydrophobicContact CD2-CD1 3.97Å; Y806-Y809 AromaticContact CE2-CD1 3.69Å; Y806-Y809 HydrophobicContact CE2-CD1 3.69Å; Y806-Y809 AromaticContact CE2-CE1 3.91Å; Y806-Y809 HydrophobicContact CE2-CE1 3.91Å; Y806-Y809 WeakPolarHBondContact O-CB 3.38Å; Y806-Y809 PolarHBondContact O-N 2.99Å; Y809-H813 AromaticContact CD2-CE1 3.57Å; Y809-H813 AromaticContact CD2-ND1 3.91Å; Y809-H813 AromaticContact CE2-CE1 3.19Å; Y809-H813 WeakPolarHBondContact CE2-CE1 3.24Å; Y809-H813 AromaticContact CE2-ND1 3.82Å; Y809-H813 AromaticContact CE2-NE2 3.97Å; Y809-H813 AromaticContact CZ-CE1 3.65Å; Y809-H813 PolarHBondContact O-N 3.13Å; Y809-H813 PolarHBondContact O-ND1 2.98Å
810	L	96.8	Very high	95.1	Very high	7 Å²	7	40.8 Å²	40.8	4%	0.037	21%	0.214	C	C	.	.	H	α-helix	trans	-62.7	-45	176	-71.1	172.4	0	0	0	111.9	L746 D747 V750 Y806 M807 Y808 H813 R814	L746-L810 HydrophobicContact CB-CD1 3.96Å; D747-L810 HydrophobicContact CB-CD1 4.29Å; D747-L810 HydrophobicContact CB-CD2 4Å; V750-L810 HydrophobicContact CG2-CB 4.12Å; V750-L810 HydrophobicContact CG2-CD1 4.03Å; Y806-L810 HydrophobicContact CD1-CD1 3.76Å; Y806-L810 HydrophobicContact CD1-CG 4.07Å; Y806-L810 HydrophobicContact CE1-CD1 3.59Å; Y806-L810 HydrophobicContact CE1-CD2 3.99Å; Y806-L810 HydrophobicContact CE1-CG 3.79Å; Y806-L810 WeakPolarHBondContact O-CG 3.43Å; Y806-L810 PolarHBondContact O-N 3Å; M807-L810 PolarHBondContact O-N 3.21Å; M807-L810 HydrophobicContact SD-CD1 4.27Å; Y808-L810 VanDerWaalsContact C-N 3.34Å; Y808-L810 PolarHBondContact O-N 3.33Å; L810-H813 PolarHBondContact O-N 2.88Å; L810-R814 WeakPolarHBondContact O-CB 3.35Å; L810-R814 VanDerWaalsContact O-CG 3.3Å; L810-R814 WeakPolarHBondContact O-CG 3.49Å; L810-R814 PolarHBondContact O-N 2.99Å
811	I	95.6	Very high	95	Very high	6 Å²	6	42.9 Å²	42.9	3%	0.031	23%	0.225	C	C	.	.	H	α-helix	trans	-67.6	-40.4	-179.1	-71.1	-73.5	0	0	0	111.7	V750 L754 A767 F770 L771 M807 Y808 H813 R814 V815	V750-I811 HydrophobicContact CG1-CD1 3.71Å; V750-I811 HydrophobicContact CG1-CG1 4.41Å; V750-I811 HydrophobicContact CG2-CD1 4.26Å; V750-I811 HydrophobicContact CG2-CG1 4.37Å; L754-I811 HydrophobicContact CD1-CD1 3.56Å; L754-I811 HydrophobicContact CG-CD1 4.44Å; A767-I811 HydrophobicContact CB-CD1 4.16Å; A767-I811 HydrophobicContact CB-CG2 3.92Å; F770-I811 HydrophobicContact CD1-CD1 3.98Å; L771-I811 HydrophobicContact CD1-CB 4.01Å; L771-I811 HydrophobicContact CD1-CG1 4.35Å; L771-I811 HydrophobicContact CD1-CG2 3.65Å; L771-I811 HydrophobicContact CD2-CB 4.28Å; L771-I811 HydrophobicContact CD2-CG1 3.85Å; L771-I811 HydrophobicContact CG-CB 4.19Å; L771-I811 HydrophobicContact CG-CG1 3.96Å; L771-I811 HydrophobicContact CG-CG2 4.05Å; M807-I811 VanDerWaalsContact O-CB 3.3Å; M807-I811 WeakPolarHBondContact O-CB 3.4Å; M807-I811 WeakPolarHBondContact O-CG1 3.46Å; M807-I811 PolarHBondContact O-N 2.93Å; Y808-I811 PolarHBondContact O-N 3.05Å; Y808-I811 VanDerWaalsContact O-N 3.13Å; I811-H813 PolarHBondContact O-N 3.17Å; I811-R814 PolarHBondContact O-N 2.68Å; I811-V815 HydrophobicContact CG2-CG2 4.3Å; I811-V815 WeakPolarHBondContact O-CB 3.48Å; I811-V815 VanDerWaalsContact O-CG2 3.32Å; I811-V815 WeakPolarHBondContact O-CG2 3.19Å; I811-V815 PolarHBondContact O-N 3.13Å
812	E	94.1	Very high	94.8	Very high	7 Å²	7	40.7 Å²	40.7	3%	0.033	22%	0.215	C	C	.	.	H	α-helix	trans	-55	-50	174.3	-174.6	-177.4	132.1	0	0	110.8	R671 Y672 Y808 A816 P823 M827	R671-E812 IonicContact CZ-OE2 2.71Å; R671-E812 IonicContact NH1-OE2 3.45Å; R671-E812 PolarHBondContact NH1-OE2 3.07Å; R671-E812 IonicContact NH2-OE2 3.3Å; Y672-E812 PolarHBondContact OH-OE1 3.26Å; Y808-E812 HydrophobicContact CD1-CB 4.18Å; Y808-E812 VanDerWaalsContact CD1-OE2 3.27Å; Y808-E812 WeakPolarHBondContact CD1-OE2 3.28Å; Y808-E812 HydrophobicContact CE1-CB 4.32Å; Y808-E812 HydrophobicContact CE1-CG 4.47Å; Y808-E812 VanDerWaalsContact CE1-OE2 3.26Å; Y808-E812 WeakPolarHBondContact CE1-OE2 3.39Å; Y808-E812 VanDerWaalsContact O-CB 3.22Å; Y808-E812 WeakPolarHBondContact O-CB 3.19Å; Y808-E812 PolarHBondContact O-N 3.24Å; E812-A816 WeakPolarHBondContact O-CB 3.44Å; E812-A816 PolarHBondContact O-N 2.86Å; E812-P823 HydrophobicContact CG-CB 4.37Å; E812-M827 HydrophobicContact CG-CG 4.02Å; E812-M827 HydrophobicContact CG-SD 4Å
813	H	94.8	Very high	94.6	Very high	50 Å²	50	41.1 Å²	41.1	23%	0.231	22%	0.218	C	C	.	.	H	α-helix	trans	-67.6	-41.1	176.3	-71.8	75.8	0	0	0	113	Y672 Y809 L810 I811 A816 Q817	Y672-H813 AromaticContact CZ-CE1 3.96Å; Y672-H813 PolarHBondContact OH-CE1 3.44Å; Y809-H813 AromaticContact CD2-CE1 3.57Å; Y809-H813 AromaticContact CD2-ND1 3.91Å; Y809-H813 AromaticContact CE2-CE1 3.19Å; Y809-H813 WeakPolarHBondContact CE2-CE1 3.24Å; Y809-H813 AromaticContact CE2-ND1 3.82Å; Y809-H813 AromaticContact CE2-NE2 3.97Å; Y809-H813 AromaticContact CZ-CE1 3.65Å; Y809-H813 PolarHBondContact O-N 3.13Å; Y809-H813 PolarHBondContact O-ND1 2.98Å; L810-H813 PolarHBondContact O-N 2.88Å; I811-H813 PolarHBondContact O-N 3.17Å; H813-A816 PolarHBondContact O-N 3.36Å; H813-Q817 WeakPolarHBondContact O-CB 3.34Å; H813-Q817 PolarHBondContact O-N 3.01Å
814	R	94.8	Very high	94.5	Very high	56 Å²	56	40.7 Å²	40.7	21%	0.211	22%	0.216	C	C	.	.	H	α-helix	trans	-66.1	-36.5	178.3	-74.3	-61.6	-160.9	-72.7	0.6	112.4	D747 V750 S751 F763 L810 I811 A818	D747-R814 IonicContact OD1-CZ 2.81Å; D747-R814 IonicContact OD1-NH1 3.69Å; D747-R814 PolarHBondContact OD1-NH1 2.92Å; D747-R814 IonicContact OD1-NH2 3.39Å; D747-R814 PolarHBondContact OD1-NH2 3.16Å; D747-R814 IonicContact OD2-CZ 3.06Å; D747-R814 IonicContact OD2-NH2 3.87Å; D747-R814 PolarHBondContact OD2-NH2 3.11Å; V750-R814 HydrophobicContact CG1-CG 4.05Å; S751-R814 PolarHBondContact OG-NH2 2.74Å; F763-R814 HydrophobicContact CE1-CB 4.24Å; F763-R814 WeakPolarHBondContact CE1-O 3.24Å; F763-R814 HydrophobicContact CZ-CB 4.1Å; L810-R814 WeakPolarHBondContact O-CB 3.35Å; L810-R814 VanDerWaalsContact O-CG 3.3Å; L810-R814 WeakPolarHBondContact O-CG 3.49Å; L810-R814 PolarHBondContact O-N 2.99Å; I811-R814 PolarHBondContact O-N 2.68Å; R814-A818 WeakPolarHBondContact O-CB 3.42Å; R814-A818 PolarHBondContact O-N 2.97Å
815	V	93.9	Very high	94.3	Very high	9 Å²	9	39.7 Å²	39.7	6%	0.055	21%	0.213	C	C	.	.	H	α-helix	trans	-70.4	-43.9	175.1	170.4	0	0	0	0	110.9	F763 P764 A767 I811 Q817 A818 K819 V826	F763-V815 HydrophobicContact CD1-CG2 4.33Å; F763-V815 HydrophobicContact CE1-CG2 4.15Å; P764-V815 HydrophobicContact CB-CG1 4.03Å; P764-V815 HydrophobicContact CG-CG1 4.26Å; A767-V815 HydrophobicContact CB-CG2 3.65Å; I811-V815 HydrophobicContact CG2-CG2 4.3Å; I811-V815 WeakPolarHBondContact O-CB 3.48Å; I811-V815 VanDerWaalsContact O-CG2 3.32Å; I811-V815 WeakPolarHBondContact O-CG2 3.19Å; I811-V815 PolarHBondContact O-N 3.13Å; V815-Q817 PolarHBondContact O-N 3.28Å; V815-A818 PolarHBondContact O-N 2.78Å; V815-A818 VanDerWaalsContact O-N 3.14Å; V815-K819 HydrophobicContact CG1-CD 4.34Å; V815-K819 PolarHBondContact O-N 3.19Å; V815-V826 HydrophobicContact CG1-CG1 4.04Å
816	A	93.9	Very high	94.1	Very high	1 Å²	1	36.7 Å²	36.7	1%	0.008	20%	0.199	C	C	.	.	H	α-helix	trans	-57.5	-47.9	174.1	0	0	0	0	0	111.9	E812 H813 A818 K819 G820 E821 P823 V826	E812-A816 WeakPolarHBondContact O-CB 3.44Å; E812-A816 PolarHBondContact O-N 2.86Å; H813-A816 PolarHBondContact O-N 3.36Å; A816-A818 VanDerWaalsContact C-N 3.29Å; A816-A818 PolarHBondContact O-N 3.34Å; A816-K819 PolarHBondContact O-N 3Å; A816-G820 PolarHBondContact O-N 2.71Å; A816-E821 CarbonylContact C-O 3.57Å; A816-E821 WeakPolarHBondContact CB-O 3.39Å; A816-E821 PolarHBondContact O-N 2.71Å; A816-P823 HydrophobicContact CB-CB 4.48Å; A816-P823 HydrophobicContact CB-CG 3.93Å; A816-V826 HydrophobicContact CB-CG2 3.91Å
817	Q	93.1	Very high	93.3	Very high	146 Å²	146	36.7 Å²	36.7	68%	0.682	20%	0.2	S	C	*	.	H	α-helix	trans	-59.4	-37	174.5	-172.3	-179.6	22.8	0	0	112.9	H813 V815	H813-Q817 WeakPolarHBondContact O-CB 3.34Å; H813-Q817 PolarHBondContact O-N 3.01Å; V815-Q817 PolarHBondContact O-N 3.28Å
818	A	91.7	Very high	92.5	Very high	58 Å²	58	37.1 Å²	37.1	48%	0.479	21%	0.205	S	C	.	.	H	α-helix	trans	-74.5	-27.3	178.3	0	0	0	0	0	113.7	F763 R814 V815 A816	F763-A818 HydrophobicContact CD1-CB 3.47Å; F763-A818 VanDerWaalsContact CD1-CB 3.47Å; F763-A818 HydrophobicContact CE1-CB 3.7Å; F763-A818 HydrophobicContact CG-CB 4.01Å; F763-A818 HydrophobicContact CZ-CB 4.37Å; R814-A818 WeakPolarHBondContact O-CB 3.42Å; R814-A818 PolarHBondContact O-N 2.97Å; V815-A818 PolarHBondContact O-N 2.78Å; V815-A818 VanDerWaalsContact O-N 3.14Å; A816-A818 VanDerWaalsContact C-N 3.29Å; A816-A818 PolarHBondContact O-N 3.34Å
819	K	90.9	Very high	91.5	Very high	74 Å²	74	36.8 Å²	36.8	32%	0.322	21%	0.206	S	C	.	.	H	α-helix	trans	-85.1	-19.5	173.1	-65.5	-174.4	79.5	-151.3	0	113.4	V815 A816 E821 V826 E829	V815-K819 HydrophobicContact CG1-CD 4.34Å; V815-K819 PolarHBondContact O-N 3.19Å; A816-K819 PolarHBondContact O-N 3Å; K819-E821 HydrophobicContact CB-CB 4.22Å; K819-E821 HydrophobicContact CB-CG 3.97Å; K819-E821 WeakPolarHBondContact CD-OE2 3.42Å; K819-E821 WeakPolarHBondContact CE-OE1 3.12Å; K819-E821 WeakPolarHBondContact CE-OE2 3.32Å; K819-E821 IonicContact NZ-OE1 2.9Å; K819-E821 PolarHBondContact NZ-OE1 3.46Å; K819-E821 IonicContact NZ-OE2 2.76Å; K819-E821 PolarHBondContact NZ-OE2 3.01Å; K819-V826 HydrophobicContact CD-CG2 4.17Å; K819-E829 IonicContact NZ-OE1 2.68Å; K819-E829 PolarHBondContact NZ-OE1 2.74Å; K819-E829 IonicContact NZ-OE2 3.07Å; K819-E829 PolarHBondContact NZ-OE2 3.11Å
820	G	90.9	Very high	90	Very high	74 Å²	74	37.8 Å²	37.8	76%	0.763	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	80.2	19.9	-170	0	0	0	0	0	113.6	A816	A816-G820 PolarHBondContact O-N 2.71Å
821	E	92.6	Very high	88.2	Confident	71 Å²	71	39.2 Å²	39.2	33%	0.332	22%	0.224	S	C	.	.	S	Bend	trans	-110.6	171	-173.5	-71	172.8	-170.3	0	0	112	A816 K819 A825 V826	A816-E821 CarbonylContact C-O 3.57Å; A816-E821 WeakPolarHBondContact CB-O 3.39Å; A816-E821 PolarHBondContact O-N 2.71Å; K819-E821 HydrophobicContact CB-CB 4.22Å; K819-E821 HydrophobicContact CB-CG 3.97Å; K819-E821 WeakPolarHBondContact CD-OE2 3.42Å; K819-E821 WeakPolarHBondContact CE-OE1 3.12Å; K819-E821 WeakPolarHBondContact CE-OE2 3.32Å; K819-E821 IonicContact NZ-OE1 2.9Å; K819-E821 PolarHBondContact NZ-OE1 3.46Å; K819-E821 IonicContact NZ-OE2 2.76Å; K819-E821 PolarHBondContact NZ-OE2 3.01Å; E821-A825 HydrophobicContact CB-CB 4.29Å; E821-V826 HydrophobicContact CB-CG2 4.15Å; E821-V826 WeakPolarHBondContact OE2-CG2 3.4Å
822	T	93.8	Very high	86.3	Confident	30 Å²	30	41.7 Å²	41.7	18%	0.184	24%	0.242	C	C	.	.			trans	-81.1	149.1	167.8	70	0	0	0	0	111.3	N606 Q610 I824 A825 V826	N606-T822 PolarHBondContact O-OG1 3.32Å; Q610-T822 HydrophobicContact CB-CG2 3.96Å; Q610-T822 HydrophobicContact CG-CG2 4.1Å; T822-I824 PolarHBondContact O-N 2.98Å; T822-A825 WeakPolarHBondContact O-CB 3.39Å; T822-A825 PolarHBondContact O-N 2.67Å; T822-A825 PolarHBondContact OG1-N 2.97Å; T822-V826 PolarHBondContact O-N 3.21Å
823	P	94.2	Very high	84.2	Confident	11 Å²	11	46.2 Å²	46.2	7%	0.071	27%	0.266	C	S	.	.	H	α-helix	trans	-48.2	-38.8	167.8	-31	34.4	0	0	0	113.9	Q610 E812 A816 A825 V826 M827	Q610-P823 VanDerWaalsContact OE1-CD 3.31Å; E812-P823 HydrophobicContact CG-CB 4.37Å; A816-P823 HydrophobicContact CB-CB 4.48Å; A816-P823 HydrophobicContact CB-CG 3.93Å; P823-A825 PolarHBondContact O-N 3.42Å; P823-V826 PolarHBondContact O-N 2.85Å; P823-M827 WeakPolarHBondContact O-CB 3.4Å; P823-M827 VanDerWaalsContact O-CG 3.27Å; P823-M827 WeakPolarHBondContact O-CG 3.12Å; P823-M827 PolarHBondContact O-N 3.09Å
824	I	94.3	Very high	81.8	Confident	0 Å²	0	46 Å²	46	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-60.5	-43.3	174	-64.1	-54.9	0	0	0	112.7	Q610 V613 A664 T668 T822 M827 G828	Q610-I824 HydrophobicContact CB-CG1 4.26Å; V613-I824 HydrophobicContact CG2-CD1 4.18Å; A664-I824 HydrophobicContact CB-CG2 4.15Å; T668-I824 HydrophobicContact CG2-CD1 3.87Å; T668-I824 WeakPolarHBondContact OG1-CD1 3.5Å; T822-I824 PolarHBondContact O-N 2.98Å; I824-M827 PolarHBondContact O-N 3.19Å; I824-G828 PolarHBondContact O-N 3.46Å
825	A	92.5	Very high	79.5	Confident	16 Å²	16	49.8 Å²	49.8	13%	0.132	29%	0.292	C	S	.	.	H	α-helix	trans	-62.5	-49.6	178.9	0	0	0	0	0	111.4	N606 E821 T822 P823 M827 G828 E829	N606-A825 HydrophobicContact CB-CB 4.18Å; E821-A825 HydrophobicContact CB-CB 4.29Å; T822-A825 WeakPolarHBondContact O-CB 3.39Å; T822-A825 PolarHBondContact O-N 2.67Å; T822-A825 PolarHBondContact OG1-N 2.97Å; P823-A825 PolarHBondContact O-N 3.42Å; A825-M827 VanDerWaalsContact C-N 3.31Å; A825-M827 PolarHBondContact O-N 3.18Å; A825-G828 WeakPolarHBondContact O-CA 3.48Å; A825-G828 PolarHBondContact O-N 2.77Å; A825-E829 PolarHBondContact O-N 3.27Å; A825-E829 VanDerWaalsContact O-N 3.09Å
826	V	90.6	Very high	76.6	Confident	3 Å²	3	50.8 Å²	50.8	2%	0.018	30%	0.304	C	S	.	.	H	α-helix	trans	-57.7	-42	176.6	175.3	0	0	0	0	111.8	V815 A816 K819 E821 T822 P823 G828 E829 F830	V815-V826 HydrophobicContact CG1-CG1 4.04Å; A816-V826 HydrophobicContact CB-CG2 3.91Å; K819-V826 HydrophobicContact CD-CG2 4.17Å; E821-V826 HydrophobicContact CB-CG2 4.15Å; E821-V826 WeakPolarHBondContact OE2-CG2 3.4Å; T822-V826 PolarHBondContact O-N 3.21Å; P823-V826 PolarHBondContact O-N 2.85Å; V826-G828 VanDerWaalsContact C-N 3.31Å; V826-G828 PolarHBondContact O-N 2.69Å; V826-E829 PolarHBondContact O-N 3.45Å; V826-F830 HydrophobicContact CG1-CD2 4.31Å; V826-F830 HydrophobicContact CG1-CE2 3.63Å; V826-F830 HydrophobicContact CG1-CZ 4.45Å; V826-F830 WeakPolarHBondContact O-CD2 3.5Å; V826-F830 PolarHBondContact O-N 2.78Å
827	M	81.7	Confident	73.9	Confident	25 Å²	25	57.2 Å²	57.2	12%	0.123	34%	0.337	C	S	.	.	H	α-helix	trans	-69.3	-29.2	175.5	-71.2	-60.4	-62	0	0	112.8	A664 Y808 E812 P823 I824 A825 A831	A664-M827 HydrophobicContact CB-CB 4.42Å; Y808-M827 HydrophobicContact CE1-CE 4.3Å; Y808-M827 HydrophobicContact CE1-SD 3.88Å; E812-M827 HydrophobicContact CG-CG 4.02Å; E812-M827 HydrophobicContact CG-SD 4Å; P823-M827 WeakPolarHBondContact O-CB 3.4Å; P823-M827 VanDerWaalsContact O-CG 3.27Å; P823-M827 WeakPolarHBondContact O-CG 3.12Å; P823-M827 PolarHBondContact O-N 3.09Å; I824-M827 PolarHBondContact O-N 3.19Å; A825-M827 VanDerWaalsContact C-N 3.31Å; A825-M827 PolarHBondContact O-N 3.18Å; M827-A831 WeakPolarHBondContact O-CB 3.45Å; M827-A831 PolarHBondContact O-N 3.26Å; M827-A831 VanDerWaalsContact O-N 3.17Å
828	G	79.1	Confident	71.1	Confident	9 Å²	9	56.6 Å²	56.6	9%	0.093	34%	0.339	C	S	.	.	H	α-helix	trans	-65.3	-41.6	173.3	0	0	0	0	0	113.2	I824 A825 V826 A831 S832	I824-G828 PolarHBondContact O-N 3.46Å; A825-G828 WeakPolarHBondContact O-CA 3.48Å; A825-G828 PolarHBondContact O-N 2.77Å; V826-G828 VanDerWaalsContact C-N 3.31Å; V826-G828 PolarHBondContact O-N 2.69Å; G828-A831 PolarHBondContact O-N 3.23Å; G828-S832 PolarHBondContact O-N 3.01Å
829	E	75.4	Confident	68.5	Low	75 Å²	75	62 Å²	62	35%	0.35	35%	0.354	S	S	.	.	H	α-helix	trans	-58.8	-47.3	174.4	-63.7	-176.8	140.6	0	0	111.8	K819 A825 V826 A831 S832 L833	K819-E829 IonicContact NZ-OE1 2.68Å; K819-E829 PolarHBondContact NZ-OE1 2.74Å; K819-E829 IonicContact NZ-OE2 3.07Å; K819-E829 PolarHBondContact NZ-OE2 3.11Å; A825-E829 PolarHBondContact O-N 3.27Å; A825-E829 VanDerWaalsContact O-N 3.09Å; V826-E829 PolarHBondContact O-N 3.45Å; E829-A831 VanDerWaalsContact C-N 3.27Å; E829-A831 PolarHBondContact O-N 3.31Å; E829-S832 PolarHBondContact O-N 3.24Å; E829-S832 VanDerWaalsContact O-N 3.12Å; E829-S832 PolarHBondContact O-OG 3.46Å; E829-L833 PolarHBondContact O-N 2.97Å
830	F	65.3	Low	65.8	Low	65 Å²	65	62.7 Å²	62.7	29%	0.285	36%	0.361	S	S	.	.	H	α-helix	trans	-68.1	-29.3	179.5	-60.9	-48.2	0	0	0	112.8	K768 V826 S832 L833 G834	K768-F830 VanDerWaalsContact NZ-CZ 3.33Å; V826-F830 HydrophobicContact CG1-CD2 4.31Å; V826-F830 HydrophobicContact CG1-CE2 3.63Å; V826-F830 HydrophobicContact CG1-CZ 4.45Å; V826-F830 WeakPolarHBondContact O-CD2 3.5Å; V826-F830 PolarHBondContact O-N 2.78Å; F830-S832 VanDerWaalsContact C-N 3.34Å; F830-L833 HydrophobicContact CD1-CD1 3.87Å; F830-L833 HydrophobicContact CE1-CD1 4.17Å; F830-G834 PolarHBondContact O-N 3.35Å
831	A	59.5	Low	63.2	Low	37 Å²	37	64.5 Å²	64.5	31%	0.306	35%	0.353	S	S	.	.	H	α-helix	trans	-73.2	-21.8	172.6	0	0	0	0	0	113.8	M827 G828 E829	M827-A831 WeakPolarHBondContact O-CB 3.45Å; M827-A831 PolarHBondContact O-N 3.26Å; M827-A831 VanDerWaalsContact O-N 3.17Å; G828-A831 PolarHBondContact O-N 3.23Å; E829-A831 VanDerWaalsContact C-N 3.27Å; E829-A831 PolarHBondContact O-N 3.31Å
832	S	55.1	Low	60.6	Low	58 Å²	58	65.6 Å²	65.6	41%	0.406	37%	0.366	S	S	.	.	H	α-helix	trans	-85.9	-44.1	172.9	69.8	0	0	0	0	111.9	G828 E829 F830 G834 R835 G836	G828-S832 PolarHBondContact O-N 3.01Å; E829-S832 PolarHBondContact O-N 3.24Å; E829-S832 VanDerWaalsContact O-N 3.12Å; E829-S832 PolarHBondContact O-OG 3.46Å; F830-S832 VanDerWaalsContact C-N 3.34Å; S832-G834 VanDerWaalsContact C-N 3.3Å; S832-G834 PolarHBondContact O-N 3.03Å; S832-R835 CarbonylContact O-C 3.54Å; S832-R835 WeakPolarHBondContact O-CA 3.41Å; S832-R835 PolarHBondContact O-N 3.02Å; S832-G836 PolarHBondContact O-N 3.28Å
833	L	50.9	Low	58.1	Low	102 Å²	102	71.3 Å²	71.3	53%	0.534	40%	0.396	S	S	.	.	H	α-helix	trans	-54.4	-43.7	174.4	-78.4	160.3	0	0	0	112.3	E829 F830 R835 G836 L837	E829-L833 PolarHBondContact O-N 2.97Å; F830-L833 HydrophobicContact CD1-CD1 3.87Å; F830-L833 HydrophobicContact CE1-CD1 4.17Å; L833-R835 PolarHBondContact O-N 3.24Å; L833-R835 VanDerWaalsContact O-N 3.13Å; L833-G836 PolarHBondContact O-N 2.8Å; L833-L837 PolarHBondContact O-N 2.79Å
834	G	43.4	Very low	55.7	Low	47 Å²	47	78.1 Å²	78.1	49%	0.485	42%	0.424	S	S	.	.	H	α-helix	trans	-64.9	-11.2	175	0	0	0	0	0	115.3	F830 S832 N838	F830-G834 PolarHBondContact O-N 3.35Å; S832-G834 VanDerWaalsContact C-N 3.3Å; S832-G834 PolarHBondContact O-N 3.03Å; G834-N838 PolarHBondContact O-ND2 2.91Å
835	R	47.5	Very low	52.9	Low	135 Å²	135	83.8 Å²	83.8	51%	0.509	45%	0.451	S	S	.	.	H	α-helix	trans	-103.3	-30.5	169.8	-94.7	-171.9	-88.6	-145.4	-0.3	113.3	S832 L833 L837 N838	S832-R835 CarbonylContact O-C 3.54Å; S832-R835 WeakPolarHBondContact O-CA 3.41Å; S832-R835 PolarHBondContact O-N 3.02Å; L833-R835 PolarHBondContact O-N 3.24Å; L833-R835 VanDerWaalsContact O-N 3.13Å; R835-L837 VanDerWaalsContact C-N 3.34Å; R835-L837 PolarHBondContact O-N 2.69Å; R835-N838 PolarHBondContact O-N 3.43Å; R835-N838 VanDerWaalsContact O-N 3.13Å
836	G	31.8	Very low	50.3	Low	29 Å²	29	92.1 Å²	92.1	30%	0.299	49%	0.487	S	S	.	.	H	α-helix	trans	-58.6	-42.7	173.4	0	0	0	0	0	112.6	S832 L833 N838 Q839 L840	S832-G836 PolarHBondContact O-N 3.28Å; L833-G836 PolarHBondContact O-N 2.8Å; G836-N838 PolarHBondContact O-N 3.35Å; G836-Q839 PolarHBondContact O-N 2.94Å; G836-L840 WeakPolarHBondContact O-CG 3.25Å; G836-L840 PolarHBondContact O-N 3.16Å; G836-L840 VanDerWaalsContact O-N 3.1Å
837	L	36.8	Very low	47.8	Very low	136 Å²	136	100.4 Å²	100.4	71%	0.712	53%	0.525	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.2	3.2	174.6	-68.9	169.8	0	0	0	115.4	L833 R835	L833-L837 PolarHBondContact O-N 2.79Å; R835-L837 VanDerWaalsContact C-N 3.34Å; R835-L837 PolarHBondContact O-N 2.69Å
838	N	35.3	Very low	45.7	Very low	133 Å²	133	107.6 Å²	107.6	71%	0.711	56%	0.559	S	S	*	*	T	Hydrogen-bonded Turn	trans	-115.1	8	170.4	-66.8	-88.3	0	0	0	112.9	G834 R835 G836	G834-N838 PolarHBondContact O-ND2 2.91Å; R835-N838 PolarHBondContact O-N 3.43Å; R835-N838 VanDerWaalsContact O-N 3.13Å; G836-N838 PolarHBondContact O-N 3.35Å
839	Q	36.9	Very low	43.6	Very low	172 Å²	172	116 Å²	116	80%	0.804	60%	0.596	S	S	*	*	T	Hydrogen-bonded Turn	trans	-133.4	-10.7	177.2	-69.8	-175.9	32.5	0	0	113.7	G836 D841	G836-Q839 PolarHBondContact O-N 2.94Å; Q839-D841 PolarHBondContact O-N 3.17Å
840	L	33.9	Very low	41.7	Very low	88 Å²	88	121.4 Å²	121.4	46%	0.461	62%	0.621	S	S	.	*			trans	-79	109.8	173.5	-67.9	164.8	0	0	0	109.9	G836 E845	G836-L840 WeakPolarHBondContact O-CG 3.25Å; G836-L840 PolarHBondContact O-N 3.16Å; G836-L840 VanDerWaalsContact O-N 3.1Å; L840-E845 WeakPolarHBondContact CD1-OE1 3.12Å; L840-E845 HydrophobicContact CD2-CG 4.47Å; L840-E845 WeakPolarHBondContact CD2-OE1 3.39Å
841	D	37	Very low	40.1	Very low	112 Å²	112	125.9 Å²	125.9	60%	0.599	65%	0.648	S	S	*	*			trans	-72.5	119.5	162.2	-157.1	7.6	0	0	0	106.5	Q839 D843	Q839-D841 PolarHBondContact O-N 3.17Å; D841-D843 PolarHBondContact O-N 2.77Å; D841-D843 VanDerWaalsContact O-N 3.17Å
842	P	38.2	Very low	38.9	Very low	94 Å²	94	132 Å²	132	61%	0.61	68%	0.675	S	S	*	*	S	Bend	trans	-66.9	-21	-165.2	25.7	-35.1	0	0	0	113.8	K844	P842-K844 PolarHBondContact O-N 3.09Å
843	D	41.6	Very low	38	Very low	151 Å²	151	138.2 Å²	138.2	81%	0.807	70%	0.698	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76	28.1	-177.4	-59.9	-2.9	0	0	0	113	D841	D841-D843 PolarHBondContact O-N 2.77Å; D841-D843 VanDerWaalsContact O-N 3.17Å
844	K	42	Very low	37.3	Very low	153 Å²	153	139 Å²	139	67%	0.665	71%	0.712	S	S	*	*	T	Hydrogen-bonded Turn	trans	-139.9	-12.3	-173.7	-105.7	-178.7	167	-70.3	0	117.3	P842	P842-K844 PolarHBondContact O-N 3.09Å
845	E	36.7	Very low	36.7	Very low	120 Å²	120	146.3 Å²	146.3	56%	0.561	73%	0.734	S	S	*	*	S	Bend	trans	-90.8	-5.9	-179.7	-65.5	-171.6	138.1	0	0	113.2	L840	L840-E845 WeakPolarHBondContact CD1-OE1 3.12Å; L840-E845 HydrophobicContact CD2-CG 4.47Å; L840-E845 WeakPolarHBondContact CD2-OE1 3.39Å
846	E	38.5	Very low	36.1	Very low	190 Å²	190	149.3 Å²	149.3	89%	0.888	75%	0.753	S	S	*	*	S	Bend	trans	-85.6	-4.3	179.7	-64.7	-167.1	157.2	0	0	114.7
847	E	36.3	Very low	36.3	Very low	177 Å²	177	157.8 Å²	157.8	83%	0.827	79%	0.785	S	S	*	*	S	Bend	trans	-104.1	-5.8	-179.8	-69.9	-171.3	154.1	0	0	114.9
848	E	37.5	Very low	35.9	Very low	177 Å²	177	155.1 Å²	155.1	83%	0.827	79%	0.791	S	S	*	*	S	Bend	trans	-108	-0.1	-174.2	-68.8	-170.8	-179.9	0	0	115.5
849	E	36	Very low	35.8	Very low	186 Å²	186	158.4 Å²	158.4	87%	0.869	80%	0.801	S	S	*	*	S	Bend	trans	-104.2	-4.9	-179.3	-75.9	-160.1	158.9	0	0	116.4
850	E	34.6	Very low	35.4	Very low	188 Å²	188	159.4 Å²	159.4	88%	0.879	81%	0.806	S	S	*	*	S	Bend	trans	-94.8	-15.3	-178.3	-73.2	-157.7	142.7	0	0	116.1
851	D	33.3	Very low	35.2	Very low	158 Å²	158	163 Å²	163	85%	0.845	83%	0.825	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.3	-9.8	-166.1	-96.3	-7.8	0	0	0	116.5
852	D	34.2	Very low	34.7	Very low	166 Å²	166	164.4 Å²	164.4	89%	0.888	84%	0.838	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.2	9.1	-164.7	-141.8	21.3	0	0	0	115.5
853	E	35.6	Very low	34.1	Very low	189 Å²	189	168.1 Å²	168.1	88%	0.883	85%	0.852	S	S	*	*	S	Bend	trans	-120.8	49.1	177.2	-71	-157.8	154.9	0	0	114.1
854	S	35.6	Very low	33.9	Very low	117 Å²	117	166.4 Å²	166.4	82%	0.818	85%	0.849	S	S	*	*			trans	-150.2	16.6	-179.7	-84.6	0	0	0	0	120.9
855	E	30.7	Very low	33.3	Very low	202 Å²	202	163.8 Å²	163.8	94%	0.944	86%	0.856	S	S	*	*			trans	-129.5	80.2	174.1	-70.6	-157.4	163.1	0	0	116.2
856	E	36.1	Very low	32.9	Very low	197 Å²	197	165.3 Å²	165.3	92%	0.921	87%	0.868	S	S	*	*	S	Bend	trans	-149	58.1	150	-156.4	-175.7	-168.8	0	0	113.9
857	E	34.7	Very low	32.3	Very low	208 Å²	208	160.3 Å²	160.3	97%	0.972	86%	0.859	S	S	*	*			trans	-157	135.9	155.8	-128.9	177.8	-148.3	0	0	112.2
858	G	29	Very low	32	Very low	80 Å²	80	156 Å²	156	83%	0.825	85%	0.854	S	S	*	*			trans	117.4	85.3	168.1	0	0	0	0	0	117.3
859	Q	33.3	Very low	31.6	Very low	201 Å²	201	153.5 Å²	153.5	94%	0.939	85%	0.85	S	S	*	*			trans	-91.2	114	160.7	-72.6	-176.2	-11.4	0	0	110.8
860	E	29.1	Very low	31.3	Very low	193 Å²	193	152.8 Å²	152.8	90%	0.902	85%	0.851	S	S	*	*			trans	-152.7	168.3	152.2	-130.2	-178	164.7	0	0	114
861	L	29.9	Very low	31	Very low	165 Å²	165	147.7 Å²	147.7	86%	0.864	85%	0.849	S	S	*	*			trans	-83.7	145.9	-166.9	-80.3	64.6	0	0	0	113.1
862	T	24.9	Very low	30.9	Very low	140 Å²	140	149.5 Å²	149.5	86%	0.859	85%	0.852	S	S	*	*			trans	-93.1	141.3	163.7	34.5	0	0	0	0	112.5
863	L	26.9	Very low	30.6	Very low	172 Å²	172	150.8 Å²	150.8	90%	0.901	85%	0.853	S	S	*	*			trans	-127.9	146.7	159	-74.3	175.5	0	0	0	108.8
864	P	37.6	Very low	30.5	Very low	115 Å²	115	146.3 Å²	146.3	75%	0.747	84%	0.843	S	S	*	*			trans	-107.4	164.3	-161	40	-36.1	0	0	0	116.2
865	A	29.3	Very low	30.3	Very low	98 Å²	98	148.9 Å²	148.9	81%	0.81	85%	0.846	S	S	*	*			trans	69.1	153.4	169.6	0	0	0	0	0	115.5
866	D	27.4	Very low	30.3	Very low	153 Å²	153	147.8 Å²	147.8	82%	0.818	84%	0.841	S	S	*	*			cis	-155.8	165.8	24.5	-169.2	13.9	0	0	0	112.1
867	A	26.8	Very low	30.5	Very low	85 Å²	85	143.7 Å²	143.7	70%	0.702	83%	0.832	S	S	*	*			trans	62.5	161.5	159.2	0	0	0	0	0	120.6
868	A	28.8	Very low	30.7	Very low	87 Å²	87	140 Å²	140	72%	0.719	83%	0.826	S	S	*	*			cis	-172.3	174.3	-34.1	0	0	0	0	0	110.6
869	V	29.4	Very low	30.8	Very low	123 Å²	123	140.4 Å²	140.4	75%	0.745	82%	0.822	S	S	*	*			trans	75.9	105.6	157.4	-175.8	0	0	0	0	119.9
870	L	29.6	Very low	30.8	Very low	172 Å²	172	139.8 Å²	139.8	90%	0.901	82%	0.816	S	S	*	*				34.7	135	129	-48.8	174	0	0	0	122.1
871	G	29	Very low	31	Very low	80 Å²	80	138.2 Å²	138.2	83%	0.825	81%	0.813	S	S	*	*			trans	171.6	119.8	152.3	0	0	0	0	0	114.6
872	E	30.6	Very low	31.1	Very low	197 Å²	197	134.2 Å²	134.2	92%	0.921	80%	0.803	S	S	*	*			trans	-83.7	150.4	162.2	-63.6	175.6	96.3	0	0	109.9
873	E	29.4	Very low	31.4	Very low	193 Å²	193	138.2 Å²	138.2	90%	0.902	80%	0.803	S	S	*	*				-173.2	161.9	104.3	-157.4	165.2	132.4	0	0	111.3
874	S	32	Very low	31.7	Very low	95 Å²	95	135.5 Å²	135.5	66%	0.664	79%	0.793	S	S	*	*			trans	-69.3	159	-178.6	-176.2	0	0	0	0	114.8
875	L	31.1	Very low	31.2	Very low	170 Å²	170	136.5 Å²	136.5	89%	0.89	79%	0.792	S	S	*	*				-175.6	153.1	120.4	-97.4	165	0	0	0	114.4
876	E	31.3	Very low	31.3	Very low	179 Å²	179	139 Å²	139	84%	0.836	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-87.3	164.4	-177.8	-95.2	-173.3	101.9	0	0	115.1
877	P	40.8	Very low	31.4	Very low	112 Å²	112	142.1 Å²	142.1	73%	0.727	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-90.6	154.5	-178.2	36.5	-35.9	0	0	0	115.2
878	P	37.7	Very low	31.6	Very low	130 Å²	130	144 Å²	144	84%	0.844	79%	0.79	S	S	*	*	P	Polyproline II helix	trans	-91.4	165.1	169.7	36.9	-34.5	0	0	0	113.2
879	A	31.4	Very low	31.8	Very low	89 Å²	89	146.1 Å²	146.1	74%	0.736	79%	0.789	S	S	*	*			trans	-140	149.6	-171	0	0	0	0	0	116.9
880	K	34.7	Very low	31.8	Very low	187 Å²	187	148 Å²	148	81%	0.813	79%	0.787	S	S	*	*			trans	76.1	139.3	142.6	-86.6	175.6	-179.6	172.3	0	123.1
881	L	33.4	Very low	31.8	Very low	161 Å²	161	145 Å²	145	84%	0.843	78%	0.776	S	S	*	*			trans	78.9	151.6	145	-68.8	165.8	0	0	0	119.2
882	A	30.8	Very low	32.1	Very low	80 Å²	80	148 Å²	148	66%	0.661	78%	0.778	S	S	*	*			cis	-168.2	172.8	-5.4	0	0	0	0	0	115.3
883	R	31.3	Very low	32.1	Very low	225 Å²	225	142.6 Å²	142.6	85%	0.849	78%	0.776	S	S	*	*			trans	100.4	122.2	132.4	-118.8	-172.4	-177.5	142.7	0.7	123.6
884	T	32.3	Very low	32.4	Very low	114 Å²	114	139.5 Å²	139.5	70%	0.699	78%	0.775	S	S	*	*			trans	59.9	159.3	141.1	38.3	0	0	0	0	120.9
885	D	29.1	Very low	32.6	Very low	137 Å²	137	139.4 Å²	139.4	73%	0.733	78%	0.781	S	S	*	*			cis	-151.3	-163.5	22.9	-141.4	-51.4	0	0	0	115.2
886	Q	30.6	Very low	33.1	Very low	151 Å²	151	139 Å²	139	71%	0.706	78%	0.779	S	S	*	*			trans	-97.5	168.6	-163.5	-58.3	173.7	18.4	0	0	119.2
887	R	29.8	Very low	33.4	Very low	217 Å²	217	141.8 Å²	141.8	82%	0.819	80%	0.8	S	S	*	*				126	159.1	110.9	-131.5	173.2	-162.1	-154.6	0.9	120.1
888	V	31	Very low	33.1	Very low	125 Å²	125	143.3 Å²	143.3	76%	0.758	80%	0.804	S	S	*	*			trans	83.3	150.1	164.4	-177.1	0	0	0	0	118
889	L	31.6	Very low	32.8	Very low	132 Å²	132	144 Å²	144	69%	0.691	80%	0.801	S	S	*	*				-174.2	173.5	-50.5	-125.2	165.8	0	0	0	111.3
890	F	29.9	Very low	32.9	Very low	163 Å²	163	147.1 Å²	147.1	72%	0.715	81%	0.805	S	S	*	*			trans	86.7	84	162.8	-61.5	-69.1	0	0	0	124.1
891	T	30.6	Very low	32.8	Very low	107 Å²	107	144.7 Å²	144.7	66%	0.656	81%	0.805	S	S	*	*				39.7	142.6	111.5	60.5	0	0	0	0	126.5
892	T	34.9	Very low	32.7	Very low	143 Å²	143	143.7 Å²	143.7	88%	0.877	80%	0.802	S	S	*	*			trans	75.5	135.2	139.8	47.3	0	0	0	0	124
893	G	30	Very low	32.9	Very low	84 Å²	84	147.9 Å²	147.9	87%	0.866	81%	0.812	S	S	*	*			trans	153.5	117.9	151.5	0	0	0	0	0	116.5
894	S	35.2	Very low	33	Very low	128 Å²	128	142.4 Å²	142.4	90%	0.895	81%	0.809	S	S	*	*			trans	-92	156.3	172.4	-56.5	0	0	0	0	112.8
895	A	36.3	Very low	33	Very low	94 Å²	94	144.6 Å²	144.6	78%	0.777	82%	0.817	S	S	*	*				164.4	149.3	118.6	0	0	0	0	0	114.6
896	D	42.1	Very low	33.4	Very low	160 Å²	160	145.3 Å²	145.3	86%	0.856	82%	0.824	S	S	*	*			trans	-25.5	140.8	171.3	-42.3	-38.8	0	0	0	120.1
897	N	38.4	Very low	33.6	Very low	239 Å²	239	144.7 Å²	144.7	100%	1.278	84%	0.835	S	S	*	*				-159.5	0	117.4	-148.7	24.6	0	0	0	111.1

Retrieved 897 of 897 residues in 549.1 ms (Link to these results)

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