A0A087XW87_POEFO Loading...

Anoctamin

AlphaFold DB , UniProt , Accession A0A087XW87, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 925 aa.

						>A0A087XW87_POEFO|A0A087XW87
MEESSAETLDSSTQGDVPPLAVKDVQVVLQKERSDGISTPSRDDDSTLQNPGTHSSILDDNSKSQSAVPEVDRRNKSSGLCFGDGKSLIDYILVYRKSSSQSEKREMFERNIRAEGLRMEKEASLTNSDVIFLKLHAPWDVLCRYAELMNIRMPFRRKIFYMHRRHKFLSRMEKRINKFRGWLPRKPMKFDNDTLPYLEENESFTAPFSRSRIHHFIIHNKDTFFNNATRSRIVHHILQRVKYEEGKNKMGLNRLLTNNSYDAAFPLHEGSYHSKNSIRTHGAENHRHLLYECWAWWGVWYKYQPLDLIRRYFGEKIGLYFAWLGWYTGMLFPAAVVGLFVFLYGVFTLEHCAVSKEICQATDTIMCPICDQYCPYLRLSDSCIYAKVTHLFDNGATVFFAVFMAVWATVFLEFWKRRRAVLAYDWDLIDWEEEEDEIRPQFEAKYSKKERMNPISGKPEPYQAFTDKYSRLLVSSSGIFFMILVVIAAVFGIVIYRVITVSTFAAFGWALIRNNSQVATTGTAVCINFCVIMLLNVLYERVALFLTNLEQPRTESEWENSFTFKMFLFQFVNLNSSTFYIAFFLGRFTGRPGAYLRLINRWKLEECHPSGCLIDLCMQMGIIMVLKQTWNNFMELGYPLIQNWWTRQRLKREHGHIPKASLPQWERDYNLQSMNAYGLFDEYLKMILQFGFTTIFVAAFPLAPLLALINNIIEIRLDAYKFVTQWRRPLPSQAKDIGIWYGILEGIGILSVITNAFVIAVTSDFIPRLVYAYKYGPCAGQGRAGEGCMMGYVNASLSVFRVSDFEKRSQPRTNGSELFEEAVKYCRYRDYREPPDSPEPYTYTLQFWHVLAARLAFIIVFEHMVFAIKTLIAYLIPDLPKDLRDRMRREKYLIQEMMYEAELERLQKEKDEKKKKDRAHHKEWP
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	33.3	Very low	29.8	Very low	218 Å²	218	141.6 Å²	141.6	100%	1.074	79%	0.794	S	S	*	*				0	53.2	0	-57.1	173.5	-171	0	0	107
2	E	28.8	Very low	29.5	Very low	157 Å²	157	139.3 Å²	139.3	73%	0.734	79%	0.793	S	S	*	*				77.1	102.8	68.4	-69.1	143.3	143.2	0	0	108.9
3	E	32.3	Very low	29.5	Very low	187 Å²	187	138.5 Å²	138.5	87%	0.874	79%	0.793	S	S	*	*				77.4	141.5	85.4	-75.3	-179	163	0	0	111.8
4	S	28.7	Very low	29.3	Very low	104 Å²	104	142.6 Å²	142.6	73%	0.727	80%	0.802	S	S	*	*			cis	-125	167.1	19	48.1	0	0	0	0	112.1
5	S	32.6	Very low	29	Very low	105 Å²	105	137.7 Å²	137.7	73%	0.734	80%	0.796	S	S	*	*			cis	77.2	136.9	28.6	82	0	0	0	0	115.2
6	A	32.3	Very low	28.9	Very low	94 Å²	94	139.5 Å²	139.5	78%	0.777	80%	0.802	S	S	*	*			cis	-164.9	-150	-11.9	0	0	0	0	0	110.7
7	E	27.4	Very low	29	Very low	182 Å²	182	139.3 Å²	139.3	85%	0.85	80%	0.803	S	S	*	*			trans	88.2	135.4	173	-57.8	-165.5	169.8	0	0	117.9
8	T	25.6	Very low	29.3	Very low	126 Å²	126	138.1 Å²	138.1	77%	0.773	80%	0.801	S	S	*	*			cis	-145.6	166.2	-0.1	-2	0	0	0	0	114
9	L	29	Very low	29.8	Very low	154 Å²	154	137.4 Å²	137.4	81%	0.806	80%	0.802	S	S	*	*			trans	-77.3	175.8	177.7	-94.5	58.9	0	0	0	112.7
10	D	28.9	Very low	29.6	Very low	143 Å²	143	139.4 Å²	139.4	77%	0.765	81%	0.808	S	S	*	*			cis	-158.2	-174.2	15.2	-138.8	-11.8	0	0	0	109.4
11	S	29.2	Very low	29.5	Very low	88 Å²	88	137.3 Å²	137.3	62%	0.615	81%	0.807	S	S	*	*			cis	-163.3	-173.4	1.5	61.4	0	0	0	0	111.8
12	S	25.7	Very low	29.3	Very low	113 Å²	113	133.1 Å²	133.1	79%	0.79	79%	0.794	S	S	*	*			trans	84.2	155.1	162.9	78.6	0	0	0	0	118.7
13	T	29.1	Very low	29.1	Very low	129 Å²	129	135.2 Å²	135.2	79%	0.791	80%	0.8	S	S	*	*			trans	-142.8	174.1	-137.1	46	0	0	0	0	116.6
14	Q	26.8	Very low	28.8	Very low	196 Å²	196	133 Å²	133	92%	0.916	79%	0.794	S	S	*	*			trans	83.3	135.9	-179.8	-53.3	179.6	-11.5	0	0	115.5
15	G	25.8	Very low	28.6	Very low	69 Å²	69	133.4 Å²	133.4	71%	0.711	79%	0.792	S	S	*	*			cis	176.8	134.9	-9.8	0	0	0	0	0	113.8
16	D	26.5	Very low	28.1	Very low	167 Å²	167	136.8 Å²	136.8	89%	0.893	80%	0.797	S	S	*	*			trans	49.6	150.2	162.7	-60.6	-27.8	0	0	0	123.6
17	V	30.4	Very low	27.7	Very low	136 Å²	136	138.1 Å²	138.1	82%	0.824	79%	0.794	S	S	*	*			trans	-130.2	138.3	-176.5	173.9	0	0	0	0	110.7
18	P	34.1	Very low	27.4	Very low	118 Å²	118	135.4 Å²	135.4	77%	0.766	79%	0.79	S	S	*	*			trans	-119.9	154.2	150.8	2.5	19.6	0	0	0	113.4
19	P	39.3	Very low	27.3	Very low	125 Å²	125	136.3 Å²	136.3	81%	0.812	79%	0.789	S	S	*	*			trans	-95.1	174.4	-175.8	38.9	-37.2	0	0	0	113.8
20	L	26.8	Very low	27	Very low	177 Å²	177	137.8 Å²	137.8	93%	0.927	79%	0.792	S	S	*	*			trans	-127.3	135.2	167.7	-112.1	165.6	0	0	0	110.7
21	A	26.5	Very low	26.7	Very low	95 Å²	95	139.9 Å²	139.9	79%	0.785	80%	0.795	S	S	*	*			trans	-131.3	161.3	-172.2	0	0	0	0	0	112.6
22	V	29.5	Very low	26.4	Very low	131 Å²	131	143.7 Å²	143.7	79%	0.794	80%	0.803	S	S	*	*			trans	-77.5	147	-175.2	179.2	0	0	0	0	112.5
23	K	25.2	Very low	26.3	Very low	200 Å²	200	147.9 Å²	147.9	87%	0.87	80%	0.801	S	S	*	*			trans	-161.5	150.5	147.6	-114.6	163.2	-173.8	175.7	0	114.5
24	D	24.4	Very low	26	Very low	141 Å²	141	146.1 Å²	146.1	75%	0.754	79%	0.794	S	S	*	*			trans	-92	-167.1	-178.2	-47.6	-101.1	0	0	0	113.7
25	V	24.6	Very low	25.9	Very low	113 Å²	113	143.5 Å²	143.5	69%	0.685	79%	0.786	S	S	*	*			trans	124.3	108.6	139.2	178.9	0	0	0	0	117.9
26	Q	22	Very low	25.7	Very low	176 Å²	176	143.1 Å²	143.1	82%	0.822	78%	0.782	S	S	*	*			trans	63.2	168.8	144.1	-71.4	175.9	-13.1	0	0	122
27	V	24.4	Very low	25.6	Very low	121 Å²	121	143.3 Å²	143.3	73%	0.733	78%	0.782	S	S	*	*			cis	-172.4	165.6	-38.5	76.6	0	0	0	0	112.3
28	V	21.9	Very low	25.1	Very low	126 Å²	126	142 Å²	142	76%	0.764	78%	0.779	S	S	*	*			trans	83.5	168	156.6	162.7	0	0	0	0	120.8
29	L	24.1	Very low	24.4	Very low	144 Å²	144	142.6 Å²	142.6	75%	0.754	78%	0.78	S	S	*	*			trans	-102.4	155.2	-157.7	-53.8	75.9	0	0	0	116
30	Q	22	Very low	24.4	Very low	185 Å²	185	141.6 Å²	141.6	86%	0.864	77%	0.774	S	S	*	*				164.9	141.3	125	-90	176.2	-102.5	0	0	108
31	K	23.1	Very low	24.1	Very low	187 Å²	187	138.1 Å²	138.1	81%	0.813	76%	0.764	S	S	*	*			cis	92	91.4	25.1	-164.2	-149.8	172.1	-176.5	0	116.2
32	E	23.1	Very low	24	Very low	169 Å²	169	143.3 Å²	143.3	79%	0.79	76%	0.764	S	S	*	*			trans	-144.4	137.2	139.8	-81.8	-163.8	134	0	0	107.9
33	R	23.5	Very low	23.6	Very low	200 Å²	200	142.1 Å²	142.1	76%	0.755	75%	0.753	S	S	*	*				71.3	142.5	74.9	-118.8	-162.3	175.2	153	-3.6	112.4
34	S	23.1	Very low	23.6	Very low	92 Å²	92	139.7 Å²	139.7	64%	0.643	75%	0.749	S	S	*	*			cis	-160.2	164.6	2.2	-2.7	0	0	0	0	107.1
35	D	23.2	Very low	23.5	Very low	141 Å²	141	140.2 Å²	140.2	75%	0.754	75%	0.752	S	S	*	*			cis	-166.4	172.9	-20.5	-88.1	-19.7	0	0	0	103.6
36	G	22.5	Very low	23.5	Very low	61 Å²	61	138.8 Å²	138.8	63%	0.629	75%	0.747	S	S	*	*			cis	161.9	-167.2	6.3	0	0	0	0	0	108.5
37	I	23.2	Very low	23.6	Very low	172 Å²	172	136 Å²	136	88%	0.882	74%	0.743	S	S	*	*			trans	67.5	124.7	153.7	-52.3	174.1	0	0	0	116.9
38	S	20.6	Very low	23.7	Very low	108 Å²	108	137.4 Å²	137.4	76%	0.755	75%	0.745	S	S	*	*			cis	-153.9	164.6	6.3	45.9	0	0	0	0	113.1
39	T	20.5	Very low	23.8	Very low	131 Å²	131	139.7 Å²	139.7	80%	0.804	75%	0.747	S	S	*	*			trans	-109.6	-175.6	162.4	61.6	0	0	0	0	108.9
40	P	37.9	Very low	23.8	Very low	104 Å²	104	140.2 Å²	140.2	68%	0.675	75%	0.751	S	S	*	*			cis	-137.8	-167	-0.7	43.2	-24.8	0	0	0	115.2
41	S	20.9	Very low	24.5	Very low	104 Å²	104	137.7 Å²	137.7	73%	0.727	75%	0.751	S	S	*	*			trans	75.1	159.1	151.4	82.3	0	0	0	0	118.3
42	R	23.7	Very low	24.5	Very low	203 Å²	203	132.5 Å²	132.5	77%	0.766	75%	0.75	S	S	*	*			cis	-161.9	160.8	-21.4	-115.7	-178.9	81.4	173.4	-4.2	109.9
43	D	23	Very low	24.5	Very low	106 Å²	106	130.6 Å²	130.6	57%	0.567	75%	0.75	S	S	*	*			trans	67.3	156.5	151	-57.3	-2.5	0	0	0	121.8
44	D	23.6	Very low	24.6	Very low	149 Å²	149	129.9 Å²	129.9	80%	0.797	76%	0.755	S	S	*	*			trans	66.7	86.7	155.3	-56.7	-10.3	0	0	0	124.2
45	D	22.9	Very low	24.6	Very low	152 Å²	152	130.2 Å²	130.2	81%	0.813	76%	0.757	S	S	*	*				67.2	150.6	104.7	-148.3	14.3	0	0	0	124.3
46	S	24.5	Very low	24.7	Very low	83 Å²	83	128.8 Å²	128.8	58%	0.58	76%	0.758	S	S	*	*			trans	85.7	100.8	148.3	74.7	0	0	0	0	123.2
47	T	24.8	Very low	24.8	Very low	119 Å²	119	133 Å²	133	73%	0.73	77%	0.765	S	S	*	*				71.1	121.2	124.1	57.3	0	0	0	0	125.4
48	L	26.3	Very low	24.9	Very low	149 Å²	149	132.4 Å²	132.4	78%	0.78	76%	0.763	S	S	*	*				83	143.4	124.9	-77.3	165.1	0	0	0	124.3
49	Q	23.1	Very low	25	Very low	174 Å²	174	133.9 Å²	133.9	81%	0.813	76%	0.762	S	S	*	*			trans	85.8	111.6	149.1	-78.1	167.9	2.1	0	0	122.8
50	N	25.4	Very low	25.1	Very low	156 Å²	156	134.1 Å²	134.1	83%	0.834	76%	0.758	S	S	*	*			trans	-62.4	174.1	146.3	-68.3	-20.2	0	0	0	111
51	P	35.7	Very low	24.4	Very low	132 Å²	132	135.2 Å²	135.2	86%	0.857	76%	0.758	S	S	*	*			cis	-137.7	-170.1	12.7	42.9	-24.2	0	0	0	115.3
52	G	22.8	Very low	24.5	Very low	78 Å²	78	134.8 Å²	134.8	80%	0.804	76%	0.755	S	S	*	*			trans	164.8	101.8	162.5	0	0	0	0	0	117.1
53	T	23.9	Very low	24.6	Very low	128 Å²	128	135.2 Å²	135.2	79%	0.785	76%	0.763	S	S	*	*			trans	-72.2	149.9	174.2	-40.9	0	0	0	0	113.1
54	H	25.5	Very low	24.6	Very low	186 Å²	186	136.1 Å²	136.1	86%	0.861	78%	0.778	S	S	*	*			trans	-164.8	175.9	138.1	-104.7	-62.1	0	0	0	112.7
55	S	22.6	Very low	24.6	Very low	99 Å²	99	138.2 Å²	138.2	69%	0.692	78%	0.783	S	S	*	*			trans	-153.9	136.7	-148.6	56.4	0	0	0	0	117.1
56	S	24.6	Very low	24.6	Very low	110 Å²	110	136.5 Å²	136.5	77%	0.769	78%	0.783	S	S	*	*			trans	-170.3	116	158.1	51.2	0	0	0	0	108
57	I	24.6	Very low	24.6	Very low	151 Å²	151	137.5 Å²	137.5	77%	0.774	80%	0.796	S	S	*	*				65.3	101.2	64.2	-56.5	176	0	0	0	113.2
58	L	25.7	Very low	24.6	Very low	159 Å²	159	137.1 Å²	137.1	83%	0.832	79%	0.793	S	S	*	*				-168.8	159.2	125.7	-102.2	167.8	0	0	0	110.3
59	D	23.5	Very low	24.7	Very low	138 Å²	138	134.5 Å²	134.5	74%	0.738	79%	0.785	S	S	*	*			trans	-81.8	177.4	-169.5	-53.3	-82.1	0	0	0	112.6
60	D	22.8	Very low	24.9	Very low	136 Å²	136	134 Å²	134	73%	0.727	78%	0.783	S	S	*	*			cis	-159.3	156.2	29.2	-165.4	17.8	0	0	0	116.2
61	N	23.7	Very low	25	Very low	127 Å²	127	132.3 Å²	132.3	68%	0.679	78%	0.778	S	S	*	*			trans	29.1	127.6	161	-94.3	-67.5	0	0	0	126.6
62	S	22.8	Very low	24.6	Very low	95 Å²	95	130.9 Å²	130.9	66%	0.664	76%	0.763	S	S	*	*				89.2	90.2	128.4	78.2	0	0	0	0	122.3
63	K	26.1	Very low	24.7	Very low	213 Å²	213	137 Å²	137	93%	0.926	76%	0.762	S	S	*	*				178	135.9	106.9	-95.7	164.1	-173.8	170.3	0	112
64	S	21.2	Very low	25.1	Very low	125 Å²	125	140.8 Å²	140.8	87%	0.874	76%	0.762	S	S	*	*			trans	-88.9	111.8	-174.1	40.9	0	0	0	0	113.5
65	Q	23.8	Very low	25.4	Very low	192 Å²	192	137 Å²	137	90%	0.897	75%	0.748	S	S	*	*			trans	-126.8	111.7	152.8	-72.4	-168.8	-2.2	0	0	108.7	A67	Q65-A67 PolarHBondContact O-N 2.9Å
66	S	24.4	Very low	26.1	Very low	117 Å²	117	140.4 Å²	140.4	82%	0.818	75%	0.75	S	S	*	*			trans	-80	98	-177.9	37	0	0	0	0	111.3	V68	S66-V68 PolarHBondContact O-N 2.98Å
67	A	23.3	Very low	27	Very low	103 Å²	103	139.8 Å²	139.8	85%	0.851	75%	0.746	S	S	*	*	P	Polyproline II helix	trans	-65.1	119.7	167.7	0	0	0	0	0	110.2	Q65	Q65-A67 PolarHBondContact O-N 2.9Å
68	V	25.8	Very low	28.3	Very low	111 Å²	111	135 Å²	135	67%	0.673	73%	0.726	S	S	*	*	P	Polyproline II helix	trans	-99	131	171.7	178.7	0	0	0	0	107.7	S66	S66-V68 PolarHBondContact O-N 2.98Å
69	P	27.5	Very low	30.2	Very low	95 Å²	95	128.1 Å²	128.1	62%	0.617	69%	0.694	S	S	*	*	P	Polyproline II helix	trans	-62.4	138.1	-169.7	23.4	-34.4	0	0	0	113.1	V71	P69-V71 PolarHBondContact O-N 3.33Å
70	E	27	Very low	32.7	Very low	164 Å²	164	123.1 Å²	123.1	77%	0.766	67%	0.667	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.4	-16.2	-168.9	-64.6	-167.6	100.5	0	0	115.3	D72 R73	E70-D72 VanDerWaalsContact C-N 3.32Å; E70-D72 PolarHBondContact O-N 3.18Å; E70-R73 PolarHBondContact O-N 3.12Å
71	V	27.8	Very low	35.5	Very low	120 Å²	120	118.4 Å²	118.4	73%	0.727	64%	0.644	S	S	*	*	H	α-helix	trans	-58.3	-42.3	-177.5	-175.4	0	0	0	0	111.7	P69 R73 R74	P69-V71 PolarHBondContact O-N 3.33Å; V71-R73 VanDerWaalsContact C-N 3.28Å; V71-R73 PolarHBondContact O-N 3.15Å; V71-R74 PolarHBondContact O-N 2.7Å
72	D	27	Very low	38.5	Very low	102 Å²	102	113.3 Å²	113.3	55%	0.545	62%	0.616	S	S	.	*	H	α-helix	trans	-70.5	-20.4	-176.3	-106.9	-9	0	0	0	113.8	E70 R74	E70-D72 VanDerWaalsContact C-N 3.32Å; E70-D72 PolarHBondContact O-N 3.18Å; D72-R74 PolarHBondContact O-N 3.38Å
73	R	26.2	Very low	40.9	Very low	206 Å²	206	111.7 Å²	111.7	78%	0.777	61%	0.614	S	S	*	*	H	α-helix	trans	-71.9	-26.4	-179.7	-88.1	-176.1	166.6	177.8	-2.9	113.2	E70 V71 S77	E70-R73 PolarHBondContact O-N 3.12Å; V71-R73 VanDerWaalsContact C-N 3.28Å; V71-R73 PolarHBondContact O-N 3.15Å; R73-S77 PolarHBondContact O-N 3.05Å
74	R	31	Very low	43.3	Very low	207 Å²	207	105.2 Å²	105.2	78%	0.781	59%	0.59	S	S	*	*	H	α-helix	trans	-72	-40.3	178.3	-72.8	-172.6	177	-176.2	0.7	112.7	V71 D72 K76 S77	V71-R74 PolarHBondContact O-N 2.7Å; D72-R74 PolarHBondContact O-N 3.38Å; R74-K76 VanDerWaalsContact C-N 3.35Å; R74-K76 PolarHBondContact O-N 2.97Å; R74-S77 PolarHBondContact O-N 3.23Å; R74-S77 PolarHBondContact O-OG 3.09Å
75	N	32.4	Very low	45.8	Very low	108 Å²	108	100.9 Å²	100.9	58%	0.578	57%	0.565	S	S	*	*	H	α-helix	trans	-68.1	-36.5	179.5	-74.4	-5.9	0	0	0	111.9	S77 S78	N75-S77 PolarHBondContact O-N 2.96Å; N75-S78 PolarHBondContact O-N 3.04Å; N75-S78 PolarHBondContact O-OG 2.87Å
76	K	37.2	Very low	48.4	Very low	169 Å²	169	100.7 Å²	100.7	74%	0.735	56%	0.561	S	S	*	*	H	α-helix	trans	-65.8	-16.7	173.8	-71.5	-175.4	177	178.3	0	114.4	R74	R74-K76 VanDerWaalsContact C-N 3.35Å; R74-K76 PolarHBondContact O-N 2.97Å
77	S	43.5	Very low	51.1	Low	98 Å²	98	95.3 Å²	95.3	69%	0.685	52%	0.524	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.9	-6.5	179.1	66.4	0	0	0	0	115.2	R73 R74 N75	R73-S77 PolarHBondContact O-N 3.05Å; R74-S77 PolarHBondContact O-N 3.23Å; R74-S77 PolarHBondContact O-OG 3.09Å; N75-S77 PolarHBondContact O-N 2.96Å
78	S	52.1	Low	54.1	Low	49 Å²	49	93.1 Å²	93.1	34%	0.343	50%	0.497	S	S	.	.	S	Bend	trans	-82.1	-34.4	-175.9	66.6	0	0	0	0	114.3	N75 L80	N75-S78 PolarHBondContact O-N 3.04Å; N75-S78 PolarHBondContact O-OG 2.87Å; S78-L80 PolarHBondContact O-N 3.37Å; S78-L80 PolarHBondContact OG-N 2.92Å
79	G	64.5	Low	57.1	Low	16 Å²	16	88.2 Å²	88.2	17%	0.165	47%	0.467	C	S	.	.			trans	64.8	22.7	-172.6	0	0	0	0	0	114.4	W665	G79-W665 WeakPolarHBondContact O-CZ3 3.24Å
80	L	77.1	Confident	60.1	Low	33 Å²	33	83.8 Å²	83.8	17%	0.173	44%	0.438	C	S	.	.			trans	-103	-11.6	-179.2	-64.6	175.5	0	0	0	114	S78 I89 L267 H268 Q664	S78-L80 PolarHBondContact O-N 3.37Å; S78-L80 PolarHBondContact OG-N 2.92Å; L80-I89 WeakPolarHBondContact O-CG1 3.47Å; L80-I89 PolarHBondContact O-N 2.98Å; L80-L267 HydrophobicContact CD2-CD1 4.39Å; L80-H268 WeakPolarHBondContact CD2-O 3.49Å; L80-Q664 HydrophobicContact CD2-CB 4.45Å; L80-Q664 HydrophobicContact CD2-CG 4Å
81	C	82.3	Confident	63.2	Low	37 Å²	37	76.3 Å²	76.3	25%	0.25	40%	0.403	C	S	.	.	B	Isolated β-bridge	trans	-111.2	165.2	175.2	-62	0	0	0	0	111.4	S87	C81-S87 CarbonylContact C-O 3.58Å; C81-S87 WeakPolarHBondContact CA-O 3.43Å
82	F	85.2	Confident	66.3	Low	19 Å²	19	70.6 Å²	70.6	8%	0.083	37%	0.368	C	S	.	.			trans	-63.2	172.8	165.6	-76.1	31.8	0	0	0	110.7	D84 G85 S87 I89 R118 E120 K134 H136	F82-D84 PolarHBondContact O-N 3.11Å; F82-G85 PolarHBondContact O-N 2.89Å; F82-S87 VanDerWaalsContact CD1-O 3.31Å; F82-S87 WeakPolarHBondContact CD1-O 3.49Å; F82-S87 PolarHBondContact N-O 3.02Å; F82-I89 HydrophobicContact CD1-CG1 3.73Å; F82-I89 HydrophobicContact CE1-CG1 4Å; F82-R118 HydrophobicContact CE2-CB 4.33Å; F82-E120 WeakPolarHBondContact CA-OE2 3.42Å; F82-E120 WeakPolarHBondContact CB-OE2 3.4Å; F82-E120 HydrophobicContact CD2-CB 3.57Å; F82-E120 HydrophobicContact CD2-CG 4.44Å; F82-E120 HydrophobicContact CE2-CB 3.59Å; F82-E120 HydrophobicContact CG-CB 4.13Å; F82-E120 HydrophobicContact CZ-CB 4.17Å; F82-K134 HydrophobicContact CD1-CB 4.26Å; F82-K134 HydrophobicContact CD1-CD 4.33Å; F82-K134 HydrophobicContact CE1-CB 3.7Å; F82-K134 HydrophobicContact CZ-CB 4.08Å; F82-H136 HydrophobicContact CD1-CB 4.48Å; F82-H136 HydrophobicContact CE1-CB 3.65Å; F82-H136 HydrophobicContact CE2-CB 4.27Å; F82-H136 HydrophobicContact CZ-CB 3.54Å
83	G	74.5	Confident	69.4	Low	61 Å²	61	65.7 Å²	65.7	63%	0.629	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.8	-17.1	175.3	0	0	0	0	0	114.9	G85 E120	G83-G85 VanDerWaalsContact C-N 3.29Å; G83-G85 PolarHBondContact O-N 2.86Å; G83-E120 PolarHBondContact N-OE1 2.83Å; G83-E120 PolarHBondContact N-OE2 3.45Å; G83-E120 VanDerWaalsContact N-OE2 3.14Å
84	D	75.4	Confident	72.5	Confident	78 Å²	78	55.9 Å²	55.9	42%	0.417	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.3	-12.5	173.8	74.9	-5.3	0	0	0	114.4	F82 K86 S87	F82-D84 PolarHBondContact O-N 3.11Å; D84-K86 PolarHBondContact O-N 3.23Å; D84-K86 PolarHBondContact OD1-N 3.39Å; D84-S87 PolarHBondContact OD1-N 3.17Å; D84-S87 WeakPolarHBondContact OD2-CB 3.28Å; D84-S87 PolarHBondContact OD2-N 3.24Å; D84-S87 PolarHBondContact OD2-OG 2.87Å
85	G	74	Confident	75.4	Confident	34 Å²	34	47 Å²	47	35%	0.351	27%	0.272	S	S	.	.	S	Bend	trans	68.8	4.4	-176	0	0	0	0	0	115.5	F82 G83	F82-G85 PolarHBondContact O-N 2.89Å; G83-G85 VanDerWaalsContact C-N 3.29Å; G83-G85 PolarHBondContact O-N 2.86Å
86	K	77.9	Confident	78	Confident	187 Å²	187	47.1 Å²	47.1	81%	0.813	26%	0.264	S	S	*	.	S	Bend	trans	-123.5	-37.1	-171.3	-66.4	178.2	-177.8	178.3	0	113.4	D84 L88	D84-K86 PolarHBondContact O-N 3.23Å; D84-K86 PolarHBondContact OD1-N 3.39Å; K86-L88 PolarHBondContact O-N 3Å
87	S	82.2	Confident	80.2	Confident	5 Å²	5	44.3 Å²	44.3	4%	0.035	25%	0.252	C	S	.	.	S	Bend	trans	-85.1	105	-179.2	-58	0	0	0	0	109.9	C81 F82 D84	C81-S87 CarbonylContact C-O 3.58Å; C81-S87 WeakPolarHBondContact CA-O 3.43Å; F82-S87 VanDerWaalsContact CD1-O 3.31Å; F82-S87 WeakPolarHBondContact CD1-O 3.49Å; F82-S87 PolarHBondContact N-O 3.02Å; D84-S87 PolarHBondContact OD1-N 3.17Å; D84-S87 WeakPolarHBondContact OD2-CB 3.28Å; D84-S87 PolarHBondContact OD2-N 3.24Å; D84-S87 PolarHBondContact OD2-OG 2.87Å
88	L	85.6	Confident	81.7	Confident	57 Å²	57	43.6 Å²	43.6	30%	0.298	25%	0.247	S	C	.	.	B	Isolated β-bridge	trans	-67.7	137.5	179.4	-176.5	143.4	0	0	0	111.9	K86 D90 H136	K86-L88 PolarHBondContact O-N 3Å; L88-D90 PolarHBondContact O-N 2.95Å; L88-H136 PolarHBondContact N-ND1 3.49Å; L88-H136 PolarHBondContact O-ND1 3.26Å
89	I	89.4	Confident	82.8	Confident	7 Å²	7	42.7 Å²	42.7	4%	0.036	24%	0.24	C	C	.	.			trans	-78.5	109.3	-179.3	-55.9	164.3	0	0	0	109.9	L80 F82 I92 K134 L267 W665	L80-I89 WeakPolarHBondContact O-CG1 3.47Å; L80-I89 PolarHBondContact O-N 2.98Å; F82-I89 HydrophobicContact CD1-CG1 3.73Å; F82-I89 HydrophobicContact CE1-CG1 4Å; I89-I92 HydrophobicContact CG2-CD1 4.03Å; I89-I92 HydrophobicContact CG2-CG1 3.74Å; I89-K134 HydrophobicContact CD1-CD 3.74Å; I89-K134 HydrophobicContact CD1-CG 4.08Å; I89-K134 HydrophobicContact CG1-CB 4.34Å; I89-K134 HydrophobicContact CG1-CD 4.1Å; I89-K134 HydrophobicContact CG1-CG 4.32Å; I89-K134 HydrophobicContact CG2-CB 4.22Å; I89-K134 HydrophobicContact CG2-CG 4.45Å; I89-L267 HydrophobicContact CB-CD1 3.86Å; I89-L267 HydrophobicContact CD1-CD1 4.02Å; I89-L267 HydrophobicContact CG2-CD1 3.77Å; I89-L267 HydrophobicContact CG2-CG 4.26Å; I89-W665 HydrophobicContact CD1-CE3 3.8Å; I89-W665 HydrophobicContact CD1-CZ3 3.8Å
90	D	89.8	Confident	83	Confident	2 Å²	2	47.5 Å²	47.5	1%	0.011	27%	0.272	C	S	.	.			trans	-85.7	-31.8	-178.5	-68	-50.6	0	0	0	113.2	L88 L135 H136 A137 R230 S231 V234	L88-D90 PolarHBondContact O-N 2.95Å; D90-L135 PolarHBondContact N-O 3.36Å; D90-H136 WeakPolarHBondContact OD2-CA 3.46Å; D90-H136 IonicContact OD2-ND1 3.85Å; D90-A137 PolarHBondContact OD2-N 3.06Å; D90-R230 WeakPolarHBondContact OD1-CB 3.38Å; D90-R230 IonicContact OD1-CZ 2.93Å; D90-R230 IonicContact OD1-NE 3.52Å; D90-R230 PolarHBondContact OD1-NE 3.38Å; D90-R230 IonicContact OD1-NH2 2.71Å; D90-R230 PolarHBondContact OD1-NH2 3.42Å; D90-R230 VanDerWaalsContact OD1-NH2 3.15Å; D90-R230 IonicContact OD2-CZ 3.12Å; D90-R230 IonicContact OD2-NE 3.85Å; D90-R230 IonicContact OD2-NH2 3.16Å; D90-R230 PolarHBondContact OD2-NH2 2.77Å; D90-S231 PolarHBondContact O-OG 2.86Å; D90-V234 HydrophobicContact CB-CG2 3.88Å
91	Y	91.9	Very high	83.1	Confident	7 Å²	7	48.4 Å²	48.4	3%	0.027	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.8	154.2	-172.8	-151.6	-94.7	0	0	0	111.3	L93 L135 V234 H235 L238 L252 A264 P266 L730	Y91-L93 HydrophobicContact CD1-CD2 4.28Å; Y91-L93 HydrophobicContact CE1-CD2 3.97Å; Y91-L135 HydrophobicContact CD1-CD1 4.44Å; Y91-L135 PolarHBondContact N-O 3.43Å; Y91-L135 PolarHBondContact O-N 3.47Å; Y91-V234 HydrophobicContact CG-CG1 4.06Å; Y91-H235 HydrophobicContact CE2-CB 4.13Å; Y91-H235 AromaticContact CE2-ND1 3.91Å; Y91-H235 AromaticContact CZ-ND1 3.55Å; Y91-H235 PolarHBondContact OH-ND1 3.07Å; Y91-L238 HydrophobicContact CD1-CD1 3.49Å; Y91-L238 VanDerWaalsContact CD1-CD1 3.49Å; Y91-L238 HydrophobicContact CE1-CD1 3.67Å; Y91-L238 HydrophobicContact CG-CD1 4.18Å; Y91-L252 HydrophobicContact CE1-CD2 4.45Å; Y91-A264 HydrophobicContact CE1-CB 4.02Å; Y91-P266 HydrophobicContact CD2-CB 4.22Å; Y91-P266 HydrophobicContact CE2-CB 4.43Å; Y91-L730 HydrophobicContact CE2-CD1 4.18Å
92	I	93.3	Very high	82.9	Confident	0 Å²	0	49.2 Å²	49.2	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	137.9	178.2	-63.2	-170	0	0	0	111	I89 V94 F132 L133 A264 F265 L267 W665	I89-I92 HydrophobicContact CG2-CD1 4.03Å; I89-I92 HydrophobicContact CG2-CG1 3.74Å; I92-V94 HydrophobicContact CG2-CG2 4.09Å; I92-F132 HydrophobicContact CG2-CD1 4.08Å; I92-L133 WeakPolarHBondContact CA-O 3.47Å; I92-A264 WeakPolarHBondContact O-CA 3.46Å; I92-F265 HydrophobicContact CG2-CZ 4.42Å; I92-F265 PolarHBondContact N-O 2.84Å; I92-F265 PolarHBondContact O-N 3.03Å; I92-L267 HydrophobicContact CD1-CD1 4.07Å; I92-L267 HydrophobicContact CD1-CD2 3.58Å; I92-L267 HydrophobicContact CD1-CG 3.8Å; I92-L267 HydrophobicContact CG1-CD2 4.44Å; I92-L267 HydrophobicContact CG1-CG 4.31Å; I92-W665 HydrophobicContact CD1-CB 3.21Å; I92-W665 HydrophobicContact CD1-CG 4.16Å
93	L	92.4	Very high	82.8	Confident	0 Å²	0	55.5 Å²	55.5	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	138.5	164.7	-58.2	179.3	0	0	0	109	Y91 F108 I112 L133 L135 L238 L252 Y261 A264	Y91-L93 HydrophobicContact CD1-CD2 4.28Å; Y91-L93 HydrophobicContact CE1-CD2 3.97Å; L93-F108 HydrophobicContact CD1-CE1 4.21Å; L93-I112 HydrophobicContact CD1-CD1 4.34Å; L93-L133 HydrophobicContact CB-CB 4.22Å; L93-L133 HydrophobicContact CB-CD2 4.26Å; L93-L133 HydrophobicContact CB-CG 4.48Å; L93-L133 HydrophobicContact CD1-CD2 4.12Å; L93-L133 PolarHBondContact N-O 3.29Å; L93-L133 WeakPolarHBondContact O-CB 3.49Å; L93-L133 PolarHBondContact O-N 3.03Å; L93-L135 HydrophobicContact CD1-CD1 4.11Å; L93-L135 HydrophobicContact CG-CD1 4.11Å; L93-L238 HydrophobicContact CD1-CD2 4.22Å; L93-L238 HydrophobicContact CD2-CD1 4.39Å; L93-L252 HydrophobicContact CD2-CD1 3.73Å; L93-L252 HydrophobicContact CD2-CD2 3.9Å; L93-L252 HydrophobicContact CD2-CG 4.49Å; L93-Y261 HydrophobicContact CB-CD1 3.8Å; L93-Y261 HydrophobicContact CB-CE1 3.79Å; L93-Y261 HydrophobicContact CD1-CD1 4.49Å; L93-Y261 HydrophobicContact CD1-CE1 4.05Å; L93-Y261 HydrophobicContact CD1-CE2 4.38Å; L93-A264 HydrophobicContact CD2-CB 3.58Å
94	V	92.1	Very high	83.2	Confident	0 Å²	0	55.7 Å²	55.7	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	132.5	178.7	-169.3	0	0	0	0	108.7	I92 V130 F132 D262 A263 F265 Y669	I92-V94 HydrophobicContact CG2-CG2 4.09Å; V94-V130 HydrophobicContact CG1-CG1 3.62Å; V94-F132 HydrophobicContact CG1-CD1 4.28Å; V94-F132 HydrophobicContact CG1-CE1 4.02Å; V94-F132 HydrophobicContact CG2-CD1 3.76Å; V94-F132 HydrophobicContact CG2-CE1 3.73Å; V94-D262 PolarHBondContact O-N 3.23Å; V94-A263 HydrophobicContact CB-CB 4.11Å; V94-A263 HydrophobicContact CG2-CB 4.06Å; V94-A263 PolarHBondContact N-O 2.98Å; V94-A263 PolarHBondContact O-N 3.48Å; V94-F265 HydrophobicContact CG2-CE1 3.72Å; V94-F265 HydrophobicContact CG2-CZ 4.26Å; V94-Y669 HydrophobicContact CB-CE2 4.29Å; V94-Y669 HydrophobicContact CG1-CD2 4.23Å; V94-Y669 HydrophobicContact CG1-CE2 3.81Å; V94-Y669 HydrophobicContact CG2-CD2 3.98Å; V94-Y669 HydrophobicContact CG2-CE2 4.26Å
95	Y	90.4	Very high	83.7	Confident	21 Å²	21	52.6 Å²	52.6	8%	0.082	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	162.9	175.1	73	-92.9	0	0	0	112.7	K121 I131 L133 Y261	Y95-K121 PolarHBondContact OH-NZ 2.93Å; Y95-I131 HydrophobicContact CD1-CB 4.3Å; Y95-I131 HydrophobicContact CD1-CG2 4.33Å; Y95-I131 HydrophobicContact CD2-CB 4.43Å; Y95-I131 HydrophobicContact CE1-CB 3.92Å; Y95-I131 HydrophobicContact CE1-CG2 3.61Å; Y95-I131 HydrophobicContact CE2-CB 4.06Å; Y95-I131 HydrophobicContact CE2-CD1 3.72Å; Y95-I131 HydrophobicContact CE2-CG1 4.38Å; Y95-I131 HydrophobicContact CE2-CG2 4.45Å; Y95-I131 PolarHBondContact N-O 2.87Å; Y95-I131 PolarHBondContact O-N 3.2Å; Y95-I131 WeakPolarHBondContact OH-CD1 3.49Å; Y95-L133 HydrophobicContact CE1-CB 4.47Å; Y95-Y261 HydrophobicContact CD1-CD1 4.3Å; Y95-Y261 AromaticContact CD1-CE1 3.86Å; Y95-Y261 HydrophobicContact CD1-CE1 3.86Å; Y95-Y261 HydrophobicContact CG-CD1 4.47Å; Y95-Y261 HydrophobicContact CG-CE1 4.34Å
96	R	87.8	Confident	84.3	Confident	109 Å²	109	55.5 Å²	55.5	41%	0.411	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	139.4	-178.7	-160.3	177.8	-64.5	-156.7	5	110.6	S98 S99 R105 D129 D262	R96-S98 WeakPolarHBondContact CD-OG 3.48Å; R96-S98 WeakPolarHBondContact CG-OG 3.46Å; R96-S99 PolarHBondContact O-OG 3.16Å; R96-R105 PolarHBondContact O-NH1 2.66Å; R96-R105 VanDerWaalsContact O-NH1 3.12Å; R96-R105 PolarHBondContact O-NH2 2.67Å; R96-D129 CarbonylContact C-O 3.59Å; R96-D129 VanDerWaalsContact CA-O 3.31Å; R96-D129 WeakPolarHBondContact CA-O 3.36Å; R96-D129 WeakPolarHBondContact CD-OD2 3.28Å; R96-D129 HydrophobicContact CG-CB 4.28Å; R96-D129 WeakPolarHBondContact CG-OD1 3.38Å; R96-D129 WeakPolarHBondContact CG-OD2 3.44Å; R96-D262 IonicContact NH2-OD1 3.47Å
97	K	82.2	Confident	84.8	Confident	110 Å²	110	49 Å²	49	48%	0.478	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-41.2	178.3	-63.3	172.9	179.6	167.8	0	110.6	S99 S128 D129 I131	K97-S99 PolarHBondContact O-N 2.91Å; K97-S99 VanDerWaalsContact O-N 3.13Å; K97-S128 WeakPolarHBondContact CD-O 3.24Å; K97-S128 WeakPolarHBondContact CE-O 3.24Å; K97-S128 PolarHBondContact NZ-O 3.28Å; K97-D129 WeakPolarHBondContact CA-OD1 3.42Å; K97-D129 VanDerWaalsContact CB-OD1 3.29Å; K97-D129 WeakPolarHBondContact CB-OD1 3.35Å; K97-D129 PolarHBondContact N-O 3.25Å; K97-D129 PolarHBondContact N-OD1 2.98Å; K97-I131 HydrophobicContact CD-CD1 4.28Å; K97-I131 HydrophobicContact CG-CD1 3.7Å; K97-I131 HydrophobicContact CG-CG1 4.15Å
98	S	75.6	Confident	85.1	Confident	84 Å²	84	48.8 Å²	48.8	59%	0.587	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.4	-5.6	-177.6	57.2	0	0	0	0	116.6	R96 D129	R96-S98 WeakPolarHBondContact CD-OG 3.48Å; R96-S98 WeakPolarHBondContact CG-OG 3.46Å; S98-D129 WeakPolarHBondContact CB-OD2 3.34Å; S98-D129 PolarHBondContact N-OD1 3.36Å; S98-D129 PolarHBondContact OG-OD1 2.91Å; S98-D129 PolarHBondContact OG-OD2 2.7Å
99	S	75.4	Confident	85.3	Confident	29 Å²	29	46.7 Å²	46.7	20%	0.203	24%	0.242	C	C	.	.			trans	-80.5	132.2	178.7	65.9	0	0	0	0	112.6	R96 K97 Q101 R105	R96-S99 PolarHBondContact O-OG 3.16Å; K97-S99 PolarHBondContact O-N 2.91Å; K97-S99 VanDerWaalsContact O-N 3.13Å; S99-Q101 VanDerWaalsContact C-N 3.28Å; S99-Q101 PolarHBondContact O-N 3.19Å; S99-Q101 VanDerWaalsContact O-N 3.13Å; S99-R105 VanDerWaalsContact OG-CZ 3.27Å; S99-R105 PolarHBondContact OG-NH1 2.68Å; S99-R105 PolarHBondContact OG-NH2 2.92Å; S99-R105 VanDerWaalsContact OG-NH2 3.15Å
100	S	69.6	Low	85.4	Confident	118 Å²	118	52.6 Å²	52.6	83%	0.825	26%	0.263	S	S	*	.	S	Bend	trans	-66.3	-13.1	-174.9	54.7	0	0	0	0	116.9	S102	S100-S102 PolarHBondContact O-N 2.96Å
101	Q	78.2	Confident	85.4	Confident	51 Å²	51	54.9 Å²	54.9	24%	0.238	28%	0.276	C	S	.	.			trans	-93.7	52.5	-175.6	-60.7	-163.8	75.2	0	0	113.1	S99 N258	S99-Q101 VanDerWaalsContact C-N 3.28Å; S99-Q101 PolarHBondContact O-N 3.19Å; S99-Q101 VanDerWaalsContact O-N 3.13Å; Q101-N258 PolarHBondContact NE2-O 2.78Å
102	S	78.7	Confident	85.3	Confident	54 Å²	54	54.6 Å²	54.6	38%	0.378	28%	0.275	S	S	.	.	H	α-helix	trans	-61.7	-52.9	176.5	47.3	0	0	0	0	112.8	S100 K104 R105 E106	S100-S102 PolarHBondContact O-N 2.96Å; S102-K104 PolarHBondContact O-N 3.35Å; S102-R105 WeakPolarHBondContact O-CA 3.3Å; S102-R105 WeakPolarHBondContact O-CB 3.36Å; S102-R105 PolarHBondContact O-N 3.35Å; S102-E106 PolarHBondContact O-N 3.42Å
103	E	82.9	Confident	85.2	Confident	151 Å²	151	61.8 Å²	61.8	71%	0.706	30%	0.302	S	S	*	.	H	α-helix	trans	-53.3	-48.2	-172.6	-59.9	172	162.1	0	0	113.1	R105 E106 M107	E103-R105 VanDerWaalsContact C-N 3.28Å; E103-R105 PolarHBondContact O-N 2.89Å; E103-E106 PolarHBondContact O-N 3.42Å; E103-M107 WeakPolarHBondContact O-CG 3.37Å; E103-M107 PolarHBondContact O-N 3.04Å
104	K	82.8	Confident	85	Confident	65 Å²	65	65.8 Å²	65.8	28%	0.283	34%	0.335	S	S	.	.	H	α-helix	trans	-65.8	-29.9	-180	-62.6	175.5	-167.4	162.7	0	112.4	S102 F108	S102-K104 PolarHBondContact O-N 3.35Å; K104-F108 WeakPolarHBondContact O-CB 3.47Å; K104-F108 PolarHBondContact O-N 3.38Å
105	R	85.9	Confident	84.8	Confident	14 Å²	14	69.1 Å²	69.1	5%	0.053	35%	0.35	C	S	.	.	H	α-helix	trans	-72.4	-42.9	172.7	-68.2	-172.9	-66.9	-145.4	5.8	111.3	R96 S99 S102 E103 M107 F108 E109 S260 Y261	R96-R105 PolarHBondContact O-NH1 2.66Å; R96-R105 VanDerWaalsContact O-NH1 3.12Å; R96-R105 PolarHBondContact O-NH2 2.67Å; S99-R105 VanDerWaalsContact OG-CZ 3.27Å; S99-R105 PolarHBondContact OG-NH1 2.68Å; S99-R105 PolarHBondContact OG-NH2 2.92Å; S99-R105 VanDerWaalsContact OG-NH2 3.15Å; S102-R105 WeakPolarHBondContact O-CA 3.3Å; S102-R105 WeakPolarHBondContact O-CB 3.36Å; S102-R105 PolarHBondContact O-N 3.35Å; E103-R105 VanDerWaalsContact C-N 3.28Å; E103-R105 PolarHBondContact O-N 2.89Å; R105-M107 VanDerWaalsContact C-N 3.33Å; R105-M107 PolarHBondContact O-N 3.07Å; R105-F108 PolarHBondContact O-N 3.38Å; R105-E109 WeakPolarHBondContact O-CB 3.49Å; R105-E109 WeakPolarHBondContact O-CG 3.47Å; R105-E109 PolarHBondContact O-N 3.03Å; R105-S260 WeakPolarHBondContact CD-O 3.42Å; R105-S260 PolarHBondContact NH1-O 2.82Å; R105-Y261 HydrophobicContact CG-CE2 4.13Å
106	E	87.3	Confident	84.8	Confident	94 Å²	94	69.7 Å²	69.7	44%	0.439	36%	0.363	S	S	.	.	H	α-helix	trans	-61.6	-42.2	176.4	-72.1	-169	-147	0	0	111.8	S102 E103 E109 R110	S102-E106 PolarHBondContact O-N 3.42Å; E103-E106 PolarHBondContact O-N 3.42Å; E106-E109 PolarHBondContact O-N 2.92Å; E106-R110 WeakPolarHBondContact O-CB 3.43Å; E106-R110 WeakPolarHBondContact O-CD 3.48Å; E106-R110 WeakPolarHBondContact O-CG 3.42Å; E106-R110 PolarHBondContact O-N 2.75Å; E106-R110 IonicContact OE2-CZ 2.65Å; E106-R110 IonicContact OE2-NH2 3.77Å; E106-R110 PolarHBondContact OE2-NH2 3.3Å
107	M	87.1	Confident	85	Confident	52 Å²	52	64.7 Å²	64.7	26%	0.256	34%	0.344	S	S	.	.	H	α-helix	trans	-61.6	-44.3	173	-68.5	-58.9	-71.7	0	0	112	E103 R105 R110 N111	E103-M107 WeakPolarHBondContact O-CG 3.37Å; E103-M107 PolarHBondContact O-N 3.04Å; R105-M107 VanDerWaalsContact C-N 3.33Å; R105-M107 PolarHBondContact O-N 3.07Å; M107-R110 PolarHBondContact O-N 3.01Å; M107-R110 PolarHBondContact SD-NH1 3.02Å; M107-N111 WeakPolarHBondContact O-CB 3.29Å; M107-N111 PolarHBondContact O-N 3.26Å; M107-N111 PolarHBondContact O-ND2 3.39Å
108	F	88.9	Confident	85.4	Confident	0 Å²	0	65.9 Å²	65.9	0%	0	35%	0.346	C	S	.	.	H	α-helix	trans	-62	-42.5	175.4	-170.1	-112.8	0	0	0	112.6	L93 K104 R105 N111 I112 L238 V241 L252 L255 Y261	L93-F108 HydrophobicContact CD1-CE1 4.21Å; K104-F108 WeakPolarHBondContact O-CB 3.47Å; K104-F108 PolarHBondContact O-N 3.38Å; R105-F108 PolarHBondContact O-N 3.38Å; F108-N111 PolarHBondContact O-N 3.24Å; F108-I112 HydrophobicContact CD1-CD1 3.65Å; F108-I112 HydrophobicContact CD1-CG1 4.45Å; F108-I112 HydrophobicContact CE1-CD1 3.58Å; F108-I112 HydrophobicContact CE1-CG1 4.4Å; F108-I112 HydrophobicContact CG-CD1 4.42Å; F108-I112 HydrophobicContact CZ-CD1 4.28Å; F108-I112 WeakPolarHBondContact O-CG1 3.5Å; F108-I112 PolarHBondContact O-N 3.03Å; F108-L238 HydrophobicContact CE1-CD2 4.19Å; F108-L238 HydrophobicContact CZ-CD2 4.17Å; F108-V241 HydrophobicContact CD2-CB 4.26Å; F108-V241 HydrophobicContact CD2-CG1 3.59Å; F108-V241 HydrophobicContact CE2-CB 3.77Å; F108-V241 HydrophobicContact CE2-CG1 3.63Å; F108-V241 HydrophobicContact CG-CG1 4.44Å; F108-V241 HydrophobicContact CZ-CB 4.47Å; F108-L252 HydrophobicContact CE1-CD1 4.31Å; F108-L252 HydrophobicContact CZ-CB 4.17Å; F108-L252 HydrophobicContact CZ-CD1 4.46Å; F108-L255 HydrophobicContact CB-CD1 4.12Å; F108-L255 HydrophobicContact CD1-CD1 3.68Å; F108-L255 HydrophobicContact CD2-CD1 3.73Å; F108-L255 HydrophobicContact CE1-CD1 3.89Å; F108-L255 HydrophobicContact CE2-CD1 3.95Å; F108-L255 HydrophobicContact CG-CD1 3.58Å; F108-L255 HydrophobicContact CZ-CD1 4.03Å; F108-Y261 AromaticContact CD1-CE2 3.73Å; F108-Y261 HydrophobicContact CD1-CE2 3.73Å; F108-Y261 HydrophobicContact CE1-CE2 4.03Å
109	E	90.5	Very high	86.1	Confident	13 Å²	13	63.6 Å²	63.6	6%	0.061	33%	0.326	C	S	.	.	H	α-helix	trans	-67.4	-40.2	177.1	-76.1	-179.3	-166.8	0	0	113.1	R105 E106 N111 I112 R113 M119 K121 L133	R105-E109 WeakPolarHBondContact O-CB 3.49Å; R105-E109 WeakPolarHBondContact O-CG 3.47Å; R105-E109 PolarHBondContact O-N 3.03Å; E106-E109 PolarHBondContact O-N 2.92Å; E109-N111 VanDerWaalsContact C-N 3.28Å; E109-N111 PolarHBondContact O-N 3.09Å; E109-I112 PolarHBondContact O-N 3.42Å; E109-R113 PolarHBondContact O-N 3.43Å; E109-R113 VanDerWaalsContact O-N 3.07Å; E109-M119 HydrophobicContact CB-CE 3.87Å; E109-M119 HydrophobicContact CG-CE 3.83Å; E109-M119 WeakPolarHBondContact OE2-CE 3.31Å; E109-K121 VanDerWaalsContact CD-CE 3.47Å; E109-K121 VanDerWaalsContact OE1-CE 3.22Å; E109-K121 WeakPolarHBondContact OE1-CE 3.32Å; E109-K121 IonicContact OE1-NZ 2.69Å; E109-K121 PolarHBondContact OE1-NZ 3.09Å; E109-K121 WeakPolarHBondContact OE2-CE 3.48Å; E109-K121 IonicContact OE2-NZ 2.78Å; E109-K121 PolarHBondContact OE2-NZ 3.46Å; E109-L133 HydrophobicContact CG-CD2 4.05Å
110	R	90.2	Very high	86.9	Confident	131 Å²	131	64.3 Å²	64.3	49%	0.494	33%	0.326	S	S	.	.	H	α-helix	trans	-59.9	-42.3	172.6	-69.7	163.4	-159.4	-176.6	5	110	E106 M107 R113 A114	E106-R110 WeakPolarHBondContact O-CB 3.43Å; E106-R110 WeakPolarHBondContact O-CD 3.48Å; E106-R110 WeakPolarHBondContact O-CG 3.42Å; E106-R110 PolarHBondContact O-N 2.75Å; E106-R110 IonicContact OE2-CZ 2.65Å; E106-R110 IonicContact OE2-NH2 3.77Å; E106-R110 PolarHBondContact OE2-NH2 3.3Å; M107-R110 PolarHBondContact O-N 3.01Å; M107-R110 PolarHBondContact SD-NH1 3.02Å; R110-R113 PolarHBondContact O-N 2.91Å; R110-A114 PolarHBondContact O-N 2.94Å
111	N	89.9	Confident	87.9	Confident	50 Å²	50	63.1 Å²	63.1	27%	0.267	31%	0.306	S	S	.	.	H	α-helix	trans	-73	-36.2	179.1	-65.1	-17.6	0	0	0	113.2	M107 F108 E109 R113 A114 E115 V241 K242	M107-N111 WeakPolarHBondContact O-CB 3.29Å; M107-N111 PolarHBondContact O-N 3.26Å; M107-N111 PolarHBondContact O-ND2 3.39Å; F108-N111 PolarHBondContact O-N 3.24Å; E109-N111 VanDerWaalsContact C-N 3.28Å; E109-N111 PolarHBondContact O-N 3.09Å; N111-R113 VanDerWaalsContact C-N 3.26Å; N111-R113 PolarHBondContact O-N 3.15Å; N111-A114 WeakPolarHBondContact O-CB 3.27Å; N111-A114 PolarHBondContact O-N 3.42Å; N111-E115 PolarHBondContact O-N 3.45Å; N111-E115 VanDerWaalsContact O-N 3.11Å; N111-V241 HydrophobicContact CB-CG1 3.61Å; N111-K242 PolarHBondContact ND2-O 3.11Å
112	I	90.6	Very high	88.2	Confident	1 Å²	1	63.5 Å²	63.5	1%	0.005	31%	0.308	C	S	.	.	H	α-helix	trans	-54.9	-44.6	168.5	-78.4	169	0	0	0	110.7	L93 F108 E109 E115 L117 L135 L238 V241	L93-I112 HydrophobicContact CD1-CD1 4.34Å; F108-I112 HydrophobicContact CD1-CD1 3.65Å; F108-I112 HydrophobicContact CD1-CG1 4.45Å; F108-I112 HydrophobicContact CE1-CD1 3.58Å; F108-I112 HydrophobicContact CE1-CG1 4.4Å; F108-I112 HydrophobicContact CG-CD1 4.42Å; F108-I112 HydrophobicContact CZ-CD1 4.28Å; F108-I112 WeakPolarHBondContact O-CG1 3.5Å; F108-I112 PolarHBondContact O-N 3.03Å; E109-I112 PolarHBondContact O-N 3.42Å; I112-E115 PolarHBondContact O-N 2.9Å; I112-L117 HydrophobicContact CG2-CB 3.84Å; I112-L117 HydrophobicContact CG2-CD1 4.13Å; I112-L117 PolarHBondContact O-N 3.41Å; I112-L135 HydrophobicContact CG2-CD2 4.09Å; I112-L238 HydrophobicContact CD1-CD2 3.5Å; I112-L238 HydrophobicContact CG1-CD2 3.88Å; I112-V241 HydrophobicContact CG1-CG1 4.32Å; I112-V241 HydrophobicContact CG1-CG2 4.48Å
113	R	90.7	Very high	88.5	Confident	150 Å²	150	63.7 Å²	63.7	57%	0.566	31%	0.312	S	S	*	.	H	α-helix	trans	-69.6	-34.2	178.4	-163.7	-178.8	-58.7	157.7	4.6	112.3	E109 R110 N111 G116 M119	E109-R113 PolarHBondContact O-N 3.43Å; E109-R113 VanDerWaalsContact O-N 3.07Å; R110-R113 PolarHBondContact O-N 2.91Å; N111-R113 VanDerWaalsContact C-N 3.26Å; N111-R113 PolarHBondContact O-N 3.15Å; R113-G116 PolarHBondContact O-N 3.2Å; R113-M119 HydrophobicContact CB-SD 4.47Å; R113-M119 PolarHBondContact NH2-SD 2.9Å
114	A	89.5	Confident	88.5	Confident	84 Å²	84	57 Å²	57	69%	0.694	28%	0.282	S	S	*	.	H	α-helix	trans	-65.9	-33.5	176.3	0	0	0	0	0	113.1	R110 N111 G116	R110-A114 PolarHBondContact O-N 2.94Å; N111-A114 WeakPolarHBondContact O-CB 3.27Å; N111-A114 PolarHBondContact O-N 3.42Å; A114-G116 PolarHBondContact O-N 3.07Å
115	E	87.7	Confident	88.2	Confident	70 Å²	70	59.6 Å²	59.6	33%	0.327	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.5	1.2	171.1	-66.4	-69.6	-172.3	0	0	113.6	N111 I112 R144 Y145 I237 V241	N111-E115 PolarHBondContact O-N 3.45Å; N111-E115 VanDerWaalsContact O-N 3.11Å; I112-E115 PolarHBondContact O-N 2.9Å; E115-R144 IonicContact OE2-CZ 3.64Å; E115-R144 IonicContact OE2-NH1 3.57Å; E115-R144 PolarHBondContact OE2-NH1 3.09Å; E115-R144 IonicContact OE2-NH2 3.53Å; E115-Y145 PolarHBondContact OE2-OH 2.92Å; E115-Y145 VanDerWaalsContact OE2-OH 3.09Å; E115-I237 HydrophobicContact CB-CG2 4.38Å; E115-V241 HydrophobicContact CG-CG2 4.34Å
116	G	89.3	Confident	87.5	Confident	33 Å²	33	59.5 Å²	59.5	34%	0.34	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	92.7	6.8	170.9	0	0	0	0	0	116.1	R113 A114	R113-G116 PolarHBondContact O-N 3.2Å; A114-G116 PolarHBondContact O-N 3.07Å
117	L	92.1	Very high	86.9	Confident	4 Å²	4	58.3 Å²	58.3	2%	0.021	30%	0.296	C	S	.	.			trans	-72.1	137.6	174.8	-68.4	177.2	0	0	0	111.2	I112 A137 V141 V234 I237	I112-L117 HydrophobicContact CG2-CB 3.84Å; I112-L117 HydrophobicContact CG2-CD1 4.13Å; I112-L117 PolarHBondContact O-N 3.41Å; L117-A137 HydrophobicContact CD2-CB 3.78Å; L117-V141 HydrophobicContact CD2-CG1 4.15Å; L117-V234 HydrophobicContact CD1-CG1 4.37Å; L117-V234 HydrophobicContact CD2-CG2 4.26Å; L117-I237 HydrophobicContact CD1-CB 4.28Å; L117-I237 HydrophobicContact CD1-CD1 4.22Å; L117-I237 HydrophobicContact CD1-CG2 3.77Å; L117-I237 HydrophobicContact CD2-CD1 4.02Å; L117-I237 HydrophobicContact CG-CD1 4.31Å
118	R	91.4	Very high	86.4	Confident	136 Å²	136	60.3 Å²	60.3	51%	0.513	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	145.6	171.9	-67.8	-174	-178	174.7	-1.1	109.9	F82 L135 H136 P138	F82-R118 HydrophobicContact CE2-CB 4.33Å; R118-L135 WeakPolarHBondContact O-CA 3.42Å; R118-H136 HydrophobicContact CB-CB 4.27Å; R118-H136 PolarHBondContact N-O 3.02Å; R118-H136 PolarHBondContact O-N 3.3Å; R118-P138 HydrophobicContact CG-CG 4.09Å
119	M	90.6	Very high	86.2	Confident	36 Å²	36	62.1 Å²	62.1	18%	0.177	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	138.2	-174.4	62.5	-173.1	-66.7	0	0	111.8	E109 R113 L133 K134 L135	E109-M119 HydrophobicContact CB-CE 3.87Å; E109-M119 HydrophobicContact CG-CE 3.83Å; E109-M119 WeakPolarHBondContact OE2-CE 3.31Å; R113-M119 HydrophobicContact CB-SD 4.47Å; R113-M119 PolarHBondContact NH2-SD 2.9Å; M119-L133 HydrophobicContact CB-CD1 3.92Å; M119-L133 HydrophobicContact CE-CD1 3.64Å; M119-K134 VanDerWaalsContact CA-O 3.31Å; M119-K134 WeakPolarHBondContact CA-O 3.43Å; M119-L135 HydrophobicContact CB-CD2 3.97Å
120	E	91.4	Very high	86.1	Confident	44 Å²	44	61.9 Å²	61.9	21%	0.206	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	138	174.6	178.5	176.2	-104.4	0	0	108.8	F82 G83 K134	F82-E120 WeakPolarHBondContact CA-OE2 3.42Å; F82-E120 WeakPolarHBondContact CB-OE2 3.4Å; F82-E120 HydrophobicContact CD2-CB 3.57Å; F82-E120 HydrophobicContact CD2-CG 4.44Å; F82-E120 HydrophobicContact CE2-CB 3.59Å; F82-E120 HydrophobicContact CG-CB 4.13Å; F82-E120 HydrophobicContact CZ-CB 4.17Å; G83-E120 PolarHBondContact N-OE1 2.83Å; G83-E120 PolarHBondContact N-OE2 3.45Å; G83-E120 VanDerWaalsContact N-OE2 3.14Å; E120-K134 HydrophobicContact CB-CB 4.33Å; E120-K134 HydrophobicContact CB-CD 4.28Å; E120-K134 HydrophobicContact CG-CD 4.31Å; E120-K134 PolarHBondContact N-O 3.33Å; E120-K134 PolarHBondContact O-N 3.5Å; E120-K134 WeakPolarHBondContact OE2-CD 3.26Å; E120-K134 WeakPolarHBondContact OE2-CE 3.43Å; E120-K134 IonicContact OE2-NZ 3.26Å; E120-K134 PolarHBondContact OE2-NZ 2.8Å
121	K	89.6	Confident	86.1	Confident	93 Å²	93	56.7 Å²	56.7	40%	0.404	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	127.4	-178.9	-71.1	-168.5	178.7	-162.8	0	110.6	Y95 E109 I131 F132 L133	Y95-K121 PolarHBondContact OH-NZ 2.93Å; E109-K121 VanDerWaalsContact CD-CE 3.47Å; E109-K121 VanDerWaalsContact OE1-CE 3.22Å; E109-K121 WeakPolarHBondContact OE1-CE 3.32Å; E109-K121 IonicContact OE1-NZ 2.69Å; E109-K121 PolarHBondContact OE1-NZ 3.09Å; E109-K121 WeakPolarHBondContact OE2-CE 3.48Å; E109-K121 IonicContact OE2-NZ 2.78Å; E109-K121 PolarHBondContact OE2-NZ 3.46Å; K121-I131 HydrophobicContact CB-CG2 4.43Å; K121-F132 WeakPolarHBondContact CA-O 3.33Å; K121-L133 HydrophobicContact CG-CD1 3.83Å
122	E	86.1	Confident	86.1	Confident	59 Å²	59	54.3 Å²	54.3	28%	0.276	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	139	173.9	-73.1	175.5	174.5	0	0	110.4	I131 F132 K134 W665	E122-I131 WeakPolarHBondContact O-CA 3.39Å; E122-F132 PolarHBondContact N-O 3.41Å; E122-F132 PolarHBondContact O-N 3.46Å; E122-K134 VanDerWaalsContact CD-CE 3.49Å; E122-K134 IonicContact OE1-NZ 2.94Å; E122-K134 PolarHBondContact OE1-NZ 3.04Å; E122-K134 WeakPolarHBondContact OE2-CE 3.45Å; E122-K134 IonicContact OE2-NZ 3.5Å; E122-K134 PolarHBondContact OE2-NZ 2.85Å; E122-W665 WeakPolarHBondContact OE2-CZ2 3.36Å
123	A	84.1	Confident	86.2	Confident	57 Å²	57	54.2 Å²	54.2	47%	0.471	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	148.8	169.9	0	0	0	0	0	110
124	S	82.2	Confident	86.3	Confident	11 Å²	11	47.2 Å²	47.2	8%	0.077	27%	0.267	C	S	.	.			trans	-68.7	139.4	176.6	-174.9	0	0	0	0	112.1	T126 N127 V130 E666	S124-T126 PolarHBondContact O-N 3.39Å; S124-T126 PolarHBondContact OG-N 3.08Å; S124-T126 PolarHBondContact OG-OG1 3.5Å; S124-N127 WeakPolarHBondContact CB-O 3.17Å; S124-N127 PolarHBondContact OG-N 3.06Å; S124-V130 PolarHBondContact N-O 3.24Å; S124-E666 WeakPolarHBondContact CA-OE1 3.21Å; S124-E666 VanDerWaalsContact CB-OE1 3.29Å; S124-E666 WeakPolarHBondContact CB-OE1 3.34Å; S124-E666 PolarHBondContact OG-OE1 3.32Å
125	L	76.7	Confident	86.5	Confident	120 Å²	120	43.2 Å²	43.2	63%	0.628	23%	0.234	S	C	*	.	S	Bend	trans	-66.5	-20.7	167.4	-57.4	176.3	0	0	0	112.2	P663 E666	L125-P663 HydrophobicContact CD1-CG 4.44Å; L125-E666 PolarHBondContact N-OE1 3.42Å
126	T	71.9	Confident	86.7	Confident	12 Å²	12	40.9 Å²	40.9	7%	0.074	22%	0.223	C	C	.	.	S	Bend	trans	-107	-10	-175.8	64.5	0	0	0	0	114.7	S124 H654 I657 L662	S124-T126 PolarHBondContact O-N 3.39Å; S124-T126 PolarHBondContact OG-N 3.08Å; S124-T126 PolarHBondContact OG-OG1 3.5Å; T126-H654 PolarHBondContact O-CE1 3.15Å; T126-H654 PolarHBondContact O-ND1 3.49Å; T126-H654 PolarHBondContact O-NE2 3.38Å; T126-I657 HydrophobicContact CG2-CD1 4.28Å; T126-L662 HydrophobicContact CG2-CD2 3.54Å
127	N	75.4	Confident	86.9	Confident	68 Å²	68	39.3 Å²	39.3	36%	0.364	21%	0.207	S	C	.	.			trans	-161	113	174	-172.4	-25.8	0	0	0	110.9	S124 D129 V130	S124-N127 WeakPolarHBondContact CB-O 3.17Å; S124-N127 PolarHBondContact OG-N 3.06Å; N127-D129 PolarHBondContact O-N 3.05Å; N127-D129 VanDerWaalsContact O-N 3.13Å; N127-D129 WeakPolarHBondContact OD1-CB 3.29Å; N127-D129 PolarHBondContact OD1-N 2.76Å; N127-V130 HydrophobicContact CB-CB 4.27Å; N127-V130 HydrophobicContact CB-CG2 3.92Å; N127-V130 PolarHBondContact O-N 3.47Å
128	S	76.3	Confident	86.9	Confident	94 Å²	94	40.2 Å²	40.2	66%	0.657	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.1	-14	-177.7	60.9	0	0	0	0	114.7	K97	K97-S128 WeakPolarHBondContact CD-O 3.24Å; K97-S128 WeakPolarHBondContact CE-O 3.24Å; K97-S128 PolarHBondContact NZ-O 3.28Å
129	D	84.3	Confident	86.7	Confident	39 Å²	39	36 Å²	36	21%	0.209	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.1	-16.8	172.5	-165.3	15	0	0	0	112.4	R96 K97 S98 N127	R96-D129 CarbonylContact C-O 3.59Å; R96-D129 VanDerWaalsContact CA-O 3.31Å; R96-D129 WeakPolarHBondContact CA-O 3.36Å; R96-D129 WeakPolarHBondContact CD-OD2 3.28Å; R96-D129 HydrophobicContact CG-CB 4.28Å; R96-D129 WeakPolarHBondContact CG-OD1 3.38Å; R96-D129 WeakPolarHBondContact CG-OD2 3.44Å; K97-D129 WeakPolarHBondContact CA-OD1 3.42Å; K97-D129 VanDerWaalsContact CB-OD1 3.29Å; K97-D129 WeakPolarHBondContact CB-OD1 3.35Å; K97-D129 PolarHBondContact N-O 3.25Å; K97-D129 PolarHBondContact N-OD1 2.98Å; S98-D129 WeakPolarHBondContact CB-OD2 3.34Å; S98-D129 PolarHBondContact N-OD1 3.36Å; S98-D129 PolarHBondContact OG-OD1 2.91Å; S98-D129 PolarHBondContact OG-OD2 2.7Å; N127-D129 PolarHBondContact O-N 3.05Å; N127-D129 VanDerWaalsContact O-N 3.13Å; N127-D129 WeakPolarHBondContact OD1-CB 3.29Å; N127-D129 PolarHBondContact OD1-N 2.76Å
130	V	87.7	Confident	86.7	Confident	7 Å²	7	39.1 Å²	39.1	4%	0.042	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	132.4	-179.3	179	0	0	0	0	111.1	V94 S124 N127 F132	V94-V130 HydrophobicContact CG1-CG1 3.62Å; S124-V130 PolarHBondContact N-O 3.24Å; N127-V130 HydrophobicContact CB-CB 4.27Å; N127-V130 HydrophobicContact CB-CG2 3.92Å; N127-V130 PolarHBondContact O-N 3.47Å; V130-F132 HydrophobicContact CG1-CE2 4.18Å; V130-F132 HydrophobicContact CG1-CZ 4.16Å
131	I	90.3	Very high	86.7	Confident	22 Å²	22	37.8 Å²	37.8	11%	0.113	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	132.4	171.8	-64.6	173.1	0	0	0	109.3	Y95 K97 K121 E122	Y95-I131 HydrophobicContact CD1-CB 4.3Å; Y95-I131 HydrophobicContact CD1-CG2 4.33Å; Y95-I131 HydrophobicContact CD2-CB 4.43Å; Y95-I131 HydrophobicContact CE1-CB 3.92Å; Y95-I131 HydrophobicContact CE1-CG2 3.61Å; Y95-I131 HydrophobicContact CE2-CB 4.06Å; Y95-I131 HydrophobicContact CE2-CD1 3.72Å; Y95-I131 HydrophobicContact CE2-CG1 4.38Å; Y95-I131 HydrophobicContact CE2-CG2 4.45Å; Y95-I131 PolarHBondContact N-O 2.87Å; Y95-I131 PolarHBondContact O-N 3.2Å; Y95-I131 WeakPolarHBondContact OH-CD1 3.49Å; K97-I131 HydrophobicContact CD-CD1 4.28Å; K97-I131 HydrophobicContact CG-CD1 3.7Å; K97-I131 HydrophobicContact CG-CG1 4.15Å; K121-I131 HydrophobicContact CB-CG2 4.43Å; E122-I131 WeakPolarHBondContact O-CA 3.39Å
132	F	91.6	Very high	86.7	Confident	0 Å²	0	33.3 Å²	33.3	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	127	167.2	-64.8	-77.2	0	0	0	109.8	I92 V94 K121 E122 V130 W665 E666 Y669	I92-F132 HydrophobicContact CG2-CD1 4.08Å; V94-F132 HydrophobicContact CG1-CD1 4.28Å; V94-F132 HydrophobicContact CG1-CE1 4.02Å; V94-F132 HydrophobicContact CG2-CD1 3.76Å; V94-F132 HydrophobicContact CG2-CE1 3.73Å; K121-F132 WeakPolarHBondContact CA-O 3.33Å; E122-F132 PolarHBondContact N-O 3.41Å; E122-F132 PolarHBondContact O-N 3.46Å; V130-F132 HydrophobicContact CG1-CE2 4.18Å; V130-F132 HydrophobicContact CG1-CZ 4.16Å; F132-W665 AromaticContact CD1-CD1 3.95Å; F132-W665 AromaticContact CD2-CD1 3.6Å; F132-W665 AromaticContact CD2-NE1 3.95Å; F132-W665 AromaticContact CE2-CD1 3.98Å; F132-W665 AromaticContact CG-CD1 3.58Å; F132-W665 HydrophobicContact CG-CG 4.49Å; F132-E666 HydrophobicContact CD2-CG 4.31Å; F132-E666 HydrophobicContact CE2-CG 3.46Å; F132-E666 VanDerWaalsContact CE2-CG 3.46Å; F132-E666 HydrophobicContact CZ-CG 3.78Å; F132-Y669 HydrophobicContact CE1-CD1 4.28Å; F132-Y669 HydrophobicContact CE1-CD2 4.37Å; F132-Y669 AromaticContact CE1-CG 3.93Å; F132-Y669 HydrophobicContact CE1-CG 3.93Å; F132-Y669 AromaticContact CZ-CD1 3.94Å; F132-Y669 HydrophobicContact CZ-CD1 3.94Å; F132-Y669 HydrophobicContact CZ-CG 4.06Å
133	L	92.1	Very high	86.8	Confident	0 Å²	0	30.6 Å²	30.6	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	101.2	173	172.9	61.7	0	0	0	107.8	I92 L93 Y95 E109 M119 K121 L135 Y261	I92-L133 WeakPolarHBondContact CA-O 3.47Å; L93-L133 HydrophobicContact CB-CB 4.22Å; L93-L133 HydrophobicContact CB-CD2 4.26Å; L93-L133 HydrophobicContact CB-CG 4.48Å; L93-L133 HydrophobicContact CD1-CD2 4.12Å; L93-L133 PolarHBondContact N-O 3.29Å; L93-L133 WeakPolarHBondContact O-CB 3.49Å; L93-L133 PolarHBondContact O-N 3.03Å; Y95-L133 HydrophobicContact CE1-CB 4.47Å; E109-L133 HydrophobicContact CG-CD2 4.05Å; M119-L133 HydrophobicContact CB-CD1 3.92Å; M119-L133 HydrophobicContact CE-CD1 3.64Å; K121-L133 HydrophobicContact CG-CD1 3.83Å; L133-L135 HydrophobicContact CD1-CD2 4.48Å; L133-L135 HydrophobicContact CG-CD2 4.27Å; L133-Y261 HydrophobicContact CD2-CE1 4.35Å
134	K	93	Very high	87.1	Confident	3 Å²	3	33 Å²	33	1%	0.013	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	139.2	175.2	-58.7	168.8	-176	173.6	0	109.3	F82 I89 M119 E120 E122	F82-K134 HydrophobicContact CD1-CB 4.26Å; F82-K134 HydrophobicContact CD1-CD 4.33Å; F82-K134 HydrophobicContact CE1-CB 3.7Å; F82-K134 HydrophobicContact CZ-CB 4.08Å; I89-K134 HydrophobicContact CD1-CD 3.74Å; I89-K134 HydrophobicContact CD1-CG 4.08Å; I89-K134 HydrophobicContact CG1-CB 4.34Å; I89-K134 HydrophobicContact CG1-CD 4.1Å; I89-K134 HydrophobicContact CG1-CG 4.32Å; I89-K134 HydrophobicContact CG2-CB 4.22Å; I89-K134 HydrophobicContact CG2-CG 4.45Å; M119-K134 VanDerWaalsContact CA-O 3.31Å; M119-K134 WeakPolarHBondContact CA-O 3.43Å; E120-K134 HydrophobicContact CB-CB 4.33Å; E120-K134 HydrophobicContact CB-CD 4.28Å; E120-K134 HydrophobicContact CG-CD 4.31Å; E120-K134 PolarHBondContact N-O 3.33Å; E120-K134 PolarHBondContact O-N 3.5Å; E120-K134 WeakPolarHBondContact OE2-CD 3.26Å; E120-K134 WeakPolarHBondContact OE2-CE 3.43Å; E120-K134 IonicContact OE2-NZ 3.26Å; E120-K134 PolarHBondContact OE2-NZ 2.8Å; E122-K134 VanDerWaalsContact CD-CE 3.49Å; E122-K134 IonicContact OE1-NZ 2.94Å; E122-K134 PolarHBondContact OE1-NZ 3.04Å; E122-K134 WeakPolarHBondContact OE2-CE 3.45Å; E122-K134 IonicContact OE2-NZ 3.5Å; E122-K134 PolarHBondContact OE2-NZ 2.85Å
135	L	92.8	Very high	87.3	Confident	0 Å²	0	33.4 Å²	33.4	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	141.1	177.1	-60.3	174.5	0	0	0	111	D90 Y91 L93 I112 R118 M119 L133 V234 L238	D90-L135 PolarHBondContact N-O 3.36Å; Y91-L135 HydrophobicContact CD1-CD1 4.44Å; Y91-L135 PolarHBondContact N-O 3.43Å; Y91-L135 PolarHBondContact O-N 3.47Å; L93-L135 HydrophobicContact CD1-CD1 4.11Å; L93-L135 HydrophobicContact CG-CD1 4.11Å; I112-L135 HydrophobicContact CG2-CD2 4.09Å; R118-L135 WeakPolarHBondContact O-CA 3.42Å; M119-L135 HydrophobicContact CB-CD2 3.97Å; L133-L135 HydrophobicContact CD1-CD2 4.48Å; L133-L135 HydrophobicContact CG-CD2 4.27Å; L135-V234 HydrophobicContact CB-CG1 4.44Å; L135-V234 HydrophobicContact CD1-CG1 4.38Å; L135-L238 HydrophobicContact CD1-CD1 3.78Å; L135-L238 HydrophobicContact CD1-CD2 3.95Å; L135-L238 HydrophobicContact CD1-CG 4.37Å
136	H	92.7	Very high	87.8	Confident	20 Å²	20	27.7 Å²	27.7	9%	0.093	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	134.2	176.4	170.1	83	0	0	0	110.4	F82 L88 D90 R118 P138 R230	F82-H136 HydrophobicContact CD1-CB 4.48Å; F82-H136 HydrophobicContact CE1-CB 3.65Å; F82-H136 HydrophobicContact CE2-CB 4.27Å; F82-H136 HydrophobicContact CZ-CB 3.54Å; L88-H136 PolarHBondContact N-ND1 3.49Å; L88-H136 PolarHBondContact O-ND1 3.26Å; D90-H136 WeakPolarHBondContact OD2-CA 3.46Å; D90-H136 IonicContact OD2-ND1 3.85Å; R118-H136 HydrophobicContact CB-CB 4.27Å; R118-H136 PolarHBondContact N-O 3.02Å; R118-H136 PolarHBondContact O-N 3.3Å; H136-P138 WeakPolarHBondContact O-CD 3.44Å; H136-R230 PolarHBondContact CE1-NH2 3.32Å
137	A	92.1	Very high	88.3	Confident	0 Å²	0	30 Å²	30	0%	0	15%	0.154	C	C	.	.			trans	-97.2	115.2	173.9	0	0	0	0	0	111.4	D90 L117 L142 R230 V234	D90-A137 PolarHBondContact OD2-N 3.06Å; L117-A137 HydrophobicContact CD2-CB 3.78Å; A137-L142 HydrophobicContact CB-CD1 4.35Å; A137-L142 HydrophobicContact CB-CD2 3.67Å; A137-L142 HydrophobicContact CB-CG 3.76Å; A137-L142 WeakPolarHBondContact O-CD1 3.19Å; A137-R230 PolarHBondContact O-NH2 2.97Å; A137-V234 HydrophobicContact CB-CG2 3.72Å
138	P	92.1	Very high	88.6	Confident	23 Å²	23	32.3 Å²	32.3	15%	0.149	17%	0.166	C	C	.	.			trans	-61.9	156.6	170.3	-22.8	34.6	0	0	0	112.5	R118 H136 D140 V141 L142	R118-P138 HydrophobicContact CG-CG 4.09Å; H136-P138 WeakPolarHBondContact O-CD 3.44Å; P138-D140 VanDerWaalsContact C-N 3.29Å; P138-D140 PolarHBondContact O-N 2.81Å; P138-V141 HydrophobicContact CB-CG2 4.42Å; P138-V141 HydrophobicContact CG-CG2 4.34Å; P138-V141 WeakPolarHBondContact O-CB 3.2Å; P138-V141 PolarHBondContact O-N 2.99Å; P138-L142 PolarHBondContact O-N 2.57Å
139	W	88.7	Confident	88.6	Confident	49 Å²	49	29.1 Å²	29.1	19%	0.186	14%	0.141	C	C	.	.	H	α-helix	trans	-50.8	-43.1	-179.7	176.4	-97.7	0	0	0	114	L142 C143 I213 I218 K221 F224 F225	W139-L142 PolarHBondContact O-N 3.03Å; W139-C143 PolarHBondContact NE1-SG 3.36Å; W139-C143 VanDerWaalsContact NE1-SG 3.41Å; W139-C143 WeakPolarHBondContact O-CB 3.4Å; W139-C143 PolarHBondContact O-N 3.48Å; W139-C143 PolarHBondContact O-SG 2.99Å; W139-I213 HydrophobicContact CZ2-CD1 4.37Å; W139-I218 HydrophobicContact CZ2-CD1 4.35Å; W139-K221 HydrophobicContact CD2-CB 4.23Å; W139-K221 HydrophobicContact CD2-CD 4.34Å; W139-K221 HydrophobicContact CD2-CG 4.41Å; W139-K221 HydrophobicContact CE3-CB 3.85Å; W139-K221 HydrophobicContact CE3-CG 4.43Å; W139-K221 HydrophobicContact CH2-CB 4.38Å; W139-K221 HydrophobicContact CH2-CG 4.43Å; W139-K221 HydrophobicContact CZ2-CG 4.39Å; W139-K221 HydrophobicContact CZ3-CB 3.93Å; W139-K221 HydrophobicContact CZ3-CG 4.45Å; W139-K221 WeakPolarHBondContact CZ3-O 3.05Å; W139-F224 HydrophobicContact CH2-CB 4.15Å; W139-F224 AromaticContact CH2-CD1 3.65Å; W139-F224 HydrophobicContact CH2-CD1 3.65Å; W139-F224 HydrophobicContact CH2-CE1 4.35Å; W139-F224 HydrophobicContact CH2-CG 4.11Å; W139-F224 HydrophobicContact CZ3-CB 4.11Å; W139-F224 HydrophobicContact CZ3-CD1 4.02Å; W139-F224 HydrophobicContact CZ3-CG 4.45Å; W139-F225 HydrophobicContact CE3-CD2 4.02Å; W139-F225 AromaticContact CE3-CE2 3.91Å; W139-F225 HydrophobicContact CE3-CE2 3.91Å; W139-F225 HydrophobicContact CH2-CD2 4.3Å; W139-F225 AromaticContact CH2-CE2 3.86Å; W139-F225 HydrophobicContact CH2-CE2 3.86Å; W139-F225 AromaticContact CZ3-CD2 3.55Å; W139-F225 HydrophobicContact CZ3-CD2 3.55Å; W139-F225 AromaticContact CZ3-CE2 3.47Å; W139-F225 HydrophobicContact CZ3-CE2 3.47Å; W139-F225 VanDerWaalsContact CZ3-CE2 3.47Å
140	D	89.1	Confident	88.3	Confident	101 Å²	101	29.9 Å²	29.9	54%	0.54	15%	0.145	S	C	.	.	H	α-helix	trans	-70.8	-31.8	-178.4	-59.4	-70	0	0	0	113.2	P138 R144	P138-D140 VanDerWaalsContact C-N 3.29Å; P138-D140 PolarHBondContact O-N 2.81Å; D140-R144 WeakPolarHBondContact O-CB 3.3Å; D140-R144 PolarHBondContact O-N 3.49Å
141	V	91.1	Very high	87.9	Confident	15 Å²	15	29.9 Å²	29.9	9%	0.091	15%	0.145	C	C	.	.	H	α-helix	trans	-69.5	-47.3	173	179.4	0	0	0	0	109.3	L117 P138 C143 R144 Y145 I237	L117-V141 HydrophobicContact CD2-CG1 4.15Å; P138-V141 HydrophobicContact CB-CG2 4.42Å; P138-V141 HydrophobicContact CG-CG2 4.34Å; P138-V141 WeakPolarHBondContact O-CB 3.2Å; P138-V141 PolarHBondContact O-N 2.99Å; V141-C143 VanDerWaalsContact C-N 3.31Å; V141-C143 PolarHBondContact O-N 3.31Å; V141-R144 PolarHBondContact O-N 2.77Å; V141-Y145 HydrophobicContact CG1-CD2 3.74Å; V141-Y145 HydrophobicContact CG1-CE2 3.9Å; V141-Y145 WeakPolarHBondContact O-CD2 3.22Å; V141-Y145 PolarHBondContact O-N 3.25Å; V141-I237 HydrophobicContact CG1-CD1 3.95Å
142	L	90.2	Very high	87.2	Confident	0 Å²	0	31.3 Å²	31.3	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-56.9	-44.1	174	-69.3	169.6	0	0	0	111.5	A137 P138 W139 A146 F225 R230 I233	A137-L142 HydrophobicContact CB-CD1 4.35Å; A137-L142 HydrophobicContact CB-CD2 3.67Å; A137-L142 HydrophobicContact CB-CG 3.76Å; A137-L142 WeakPolarHBondContact O-CD1 3.19Å; P138-L142 PolarHBondContact O-N 2.57Å; W139-L142 PolarHBondContact O-N 3.03Å; L142-A146 WeakPolarHBondContact O-CB 3.4Å; L142-A146 PolarHBondContact O-N 3.46Å; L142-F225 HydrophobicContact CB-CD2 4Å; L142-F225 HydrophobicContact CB-CE2 3.79Å; L142-F225 HydrophobicContact CB-CZ 4.21Å; L142-F225 HydrophobicContact CD1-CD2 4.05Å; L142-R230 HydrophobicContact CD1-CG 4.33Å; L142-R230 HydrophobicContact CD2-CB 4.43Å; L142-R230 HydrophobicContact CD2-CG 4.32Å; L142-I233 HydrophobicContact CD2-CB 4.2Å; L142-I233 HydrophobicContact CD2-CD1 3.7Å; L142-I233 HydrophobicContact CD2-CG2 4.06Å
143	C	88.9	Confident	86.5	Confident	2 Å²	2	32 Å²	32	1%	0.014	15%	0.152	C	C	.	.	H	α-helix	trans	-65.4	-40.7	176.9	-70.9	0	0	0	0	113.2	W139 V141 E147 F208 R210	W139-C143 PolarHBondContact NE1-SG 3.36Å; W139-C143 VanDerWaalsContact NE1-SG 3.41Å; W139-C143 WeakPolarHBondContact O-CB 3.4Å; W139-C143 PolarHBondContact O-N 3.48Å; W139-C143 PolarHBondContact O-SG 2.99Å; V141-C143 VanDerWaalsContact C-N 3.31Å; V141-C143 PolarHBondContact O-N 3.31Å; C143-E147 WeakPolarHBondContact O-CB 3.47Å; C143-E147 PolarHBondContact O-N 2.68Å; C143-F208 HydrophobicContact CB-CE1 3.94Å; C143-F208 HydrophobicContact CB-CZ 4.32Å; C143-R210 HydrophobicContact CB-CG 4.1Å
144	R	89.2	Confident	85.7	Confident	108 Å²	108	33.9 Å²	33.9	41%	0.408	16%	0.164	S	C	.	.	H	α-helix	trans	-62.3	-49.5	176.7	178.6	-174.7	178.4	-142.6	-1.4	111	E115 D140 V141 L148	E115-R144 IonicContact OE2-CZ 3.64Å; E115-R144 IonicContact OE2-NH1 3.57Å; E115-R144 PolarHBondContact OE2-NH1 3.09Å; E115-R144 IonicContact OE2-NH2 3.53Å; D140-R144 WeakPolarHBondContact O-CB 3.3Å; D140-R144 PolarHBondContact O-N 3.49Å; V141-R144 PolarHBondContact O-N 2.77Å; R144-L148 HydrophobicContact CG-CD1 4.24Å; R144-L148 WeakPolarHBondContact O-CG 3.39Å; R144-L148 PolarHBondContact O-N 3.45Å; R144-L148 VanDerWaalsContact O-N 3.09Å
145	Y	87.3	Confident	84.5	Confident	18 Å²	18	35 Å²	35	7%	0.071	17%	0.169	C	C	.	.	H	α-helix	trans	-78.5	-27.5	-178.6	-74.1	-80.3	0	0	0	113.3	E115 V141 E147 L148 M149 I233 I237	E115-Y145 PolarHBondContact OE2-OH 2.92Å; E115-Y145 VanDerWaalsContact OE2-OH 3.09Å; V141-Y145 HydrophobicContact CG1-CD2 3.74Å; V141-Y145 HydrophobicContact CG1-CE2 3.9Å; V141-Y145 WeakPolarHBondContact O-CD2 3.22Å; V141-Y145 PolarHBondContact O-N 3.25Å; Y145-E147 VanDerWaalsContact C-N 3.3Å; Y145-E147 PolarHBondContact O-N 3.01Å; Y145-L148 HydrophobicContact CD1-CD1 3.93Å; Y145-L148 HydrophobicContact CE1-CD1 4.1Å; Y145-L148 PolarHBondContact O-N 3.1Å; Y145-M149 VanDerWaalsContact O-CB 3.25Å; Y145-M149 WeakPolarHBondContact O-CB 3.46Å; Y145-M149 WeakPolarHBondContact O-CG 3.48Å; Y145-M149 PolarHBondContact O-N 2.95Å; Y145-I233 HydrophobicContact CG-CG2 4.36Å; Y145-I237 HydrophobicContact CD1-CG1 4Å; Y145-I237 HydrophobicContact CD2-CD1 3.56Å; Y145-I237 HydrophobicContact CD2-CG1 3.86Å; Y145-I237 HydrophobicContact CE1-CG1 3.86Å; Y145-I237 HydrophobicContact CE2-CD1 3.6Å; Y145-I237 HydrophobicContact CE2-CG1 3.72Å; Y145-I237 HydrophobicContact CG-CD1 4.07Å; Y145-I237 HydrophobicContact CG-CG1 4Å
146	A	86.3	Confident	82.9	Confident	0 Å²	0	41.8 Å²	41.8	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-64.8	-34.7	171	0	0	0	0	0	112.6	L142 M149 N150 I151 F208 F225	L142-A146 WeakPolarHBondContact O-CB 3.4Å; L142-A146 PolarHBondContact O-N 3.46Å; A146-M149 CarbonylContact O-C 3.54Å; A146-N150 PolarHBondContact O-N 2.93Å; A146-I151 HydrophobicContact CB-CB 4.18Å; A146-I151 HydrophobicContact CB-CD1 3.99Å; A146-I151 HydrophobicContact CB-CG1 4.25Å; A146-I151 PolarHBondContact O-N 2.87Å; A146-F208 HydrophobicContact CB-CD1 3.88Å; A146-F208 HydrophobicContact CB-CE1 4.49Å; A146-F208 HydrophobicContact CB-CG 4.44Å; A146-F225 HydrophobicContact CB-CE1 3.64Å; A146-F225 HydrophobicContact CB-CZ 3.89Å
147	E	84.1	Confident	81.3	Confident	62 Å²	62	44.5 Å²	44.5	29%	0.29	20%	0.204	S	C	.	.	H	α-helix	trans	-72.9	-40.6	172.5	-174.4	164.2	-126.7	0	0	111.6	C143 Y145 M149 N150 F208 S209 R210	C143-E147 WeakPolarHBondContact O-CB 3.47Å; C143-E147 PolarHBondContact O-N 2.68Å; Y145-E147 VanDerWaalsContact C-N 3.3Å; Y145-E147 PolarHBondContact O-N 3.01Å; E147-M149 VanDerWaalsContact C-N 3.28Å; E147-M149 PolarHBondContact O-N 2.9Å; E147-N150 PolarHBondContact O-N 3.14Å; E147-N150 PolarHBondContact O-OD1 3.49Å; E147-F208 WeakPolarHBondContact CA-O 3.4Å; E147-S209 WeakPolarHBondContact OE1-CA 3.43Å; E147-S209 WeakPolarHBondContact OE1-CB 3.32Å; E147-S209 PolarHBondContact OE1-OG 3.19Å; E147-R210 PolarHBondContact OE1-N 2.92Å; E147-R210 WeakPolarHBondContact OE2-CB 3.31Å; E147-R210 WeakPolarHBondContact OE2-CD 3.22Å; E147-R210 WeakPolarHBondContact OE2-CG 3.05Å
148	L	81.6	Confident	79.2	Confident	115 Å²	115	50.2 Å²	50.2	60%	0.602	23%	0.229	S	C	*	.	H	α-helix	trans	-67.1	-24.8	173.7	-69.6	168.4	0	0	0	114.1	R144 Y145	R144-L148 HydrophobicContact CG-CD1 4.24Å; R144-L148 WeakPolarHBondContact O-CG 3.39Å; R144-L148 PolarHBondContact O-N 3.45Å; R144-L148 VanDerWaalsContact O-N 3.09Å; Y145-L148 HydrophobicContact CD1-CD1 3.93Å; Y145-L148 HydrophobicContact CE1-CD1 4.1Å; Y145-L148 PolarHBondContact O-N 3.1Å
149	M	75.6	Confident	76.8	Confident	27 Å²	27	54.9 Å²	54.9	13%	0.133	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.6	17.6	177.4	-60.8	174.7	75.4	0	0	112.3	Y145 A146 E147 I151 I233 H236 W431	Y145-M149 VanDerWaalsContact O-CB 3.25Å; Y145-M149 WeakPolarHBondContact O-CB 3.46Å; Y145-M149 WeakPolarHBondContact O-CG 3.48Å; Y145-M149 PolarHBondContact O-N 2.95Å; A146-M149 CarbonylContact O-C 3.54Å; E147-M149 VanDerWaalsContact C-N 3.28Å; E147-M149 PolarHBondContact O-N 2.9Å; M149-I151 HydrophobicContact CB-CD1 4.2Å; M149-I151 HydrophobicContact CB-CG1 3.83Å; M149-I151 PolarHBondContact O-N 3.4Å; M149-I233 HydrophobicContact SD-CG1 4.18Å; M149-H236 HydrophobicContact CE-CB 3.95Å; M149-H236 HydrophobicContact SD-CB 4Å; M149-W431 VanDerWaalsContact O-CZ3 3.31Å; M149-W431 WeakPolarHBondContact O-CZ3 3.1Å
150	N	77.8	Confident	74.7	Confident	55 Å²	55	58.8 Å²	58.8	29%	0.294	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	44.9	29.5	178.6	-80.8	-16.8	0	0	0	115.8	A146 E147 R152 P207 W431 E434	A146-N150 PolarHBondContact O-N 2.93Å; E147-N150 PolarHBondContact O-N 3.14Å; E147-N150 PolarHBondContact O-OD1 3.49Å; N150-R152 PolarHBondContact O-N 3.36Å; N150-P207 HydrophobicContact CB-CB 4.16Å; N150-P207 WeakPolarHBondContact O-CA 3.16Å; N150-P207 WeakPolarHBondContact O-CB 3.41Å; N150-W431 HydrophobicContact CB-CZ3 4.2Å; N150-W431 VanDerWaalsContact O-CH2 3.32Å; N150-W431 WeakPolarHBondContact O-CH2 3.46Å; N150-E434 PolarHBondContact ND2-OE1 3.48Å; N150-E434 VanDerWaalsContact ND2-OE1 3.11Å; N150-E434 PolarHBondContact ND2-OE2 3.5Å
151	I	78.9	Confident	72.4	Confident	8 Å²	8	63.9 Å²	63.9	4%	0.041	28%	0.283	C	S	.	.			trans	-59.3	114.3	-165.3	-59.5	-174.4	0	0	0	110.8	A146 M149 M153 F208 T229 I233	A146-I151 HydrophobicContact CB-CB 4.18Å; A146-I151 HydrophobicContact CB-CD1 3.99Å; A146-I151 HydrophobicContact CB-CG1 4.25Å; A146-I151 PolarHBondContact O-N 2.87Å; M149-I151 HydrophobicContact CB-CD1 4.2Å; M149-I151 HydrophobicContact CB-CG1 3.83Å; M149-I151 PolarHBondContact O-N 3.4Å; I151-M153 HydrophobicContact CG2-CE 3.97Å; I151-M153 HydrophobicContact CG2-CG 4.48Å; I151-M153 PolarHBondContact O-N 3.09Å; I151-F208 WeakPolarHBondContact O-CB 3.47Å; I151-F208 PolarHBondContact O-N 2.95Å; I151-T229 HydrophobicContact CD1-CG2 3.99Å; I151-T229 HydrophobicContact CG2-CG2 4.15Å; I151-I233 HydrophobicContact CD1-CD1 3.78Å; I151-I233 HydrophobicContact CD1-CG1 3.78Å
152	R	76.7	Confident	70	Confident	52 Å²	52	67.9 Å²	67.9	20%	0.196	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.6	129.9	178	-75.6	-156.9	-97.2	-152.7	-16.9	111.6	N150 A206 D427 D430 W431	N150-R152 PolarHBondContact O-N 3.36Å; R152-A206 WeakPolarHBondContact CA-O 3.08Å; R152-D427 HydrophobicContact CB-CB 4.48Å; R152-D427 PolarHBondContact NE-O 3.23Å; R152-D427 VanDerWaalsContact NE-O 3.09Å; R152-D427 PolarHBondContact NH2-O 2.68Å; R152-D430 IonicContact CZ-OD2 2.68Å; R152-D430 IonicContact NH1-OD2 2.69Å; R152-D430 PolarHBondContact NH1-OD2 2.98Å; R152-D430 IonicContact NH2-OD2 2.71Å; R152-D430 PolarHBondContact NH2-OD2 2.92Å; R152-W431 HydrophobicContact CB-CZ2 4.36Å; R152-W431 HydrophobicContact CG-CZ2 4.12Å
153	M	77.1	Confident	67.6	Low	15 Å²	15	75.3 Å²	75.3	7%	0.074	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	151.8	-173.9	-77.1	-63.1	-173.1	0	0	111.6	I151 F155 T205 A206 F208 F216 F224 F225	I151-M153 HydrophobicContact CG2-CE 3.97Å; I151-M153 HydrophobicContact CG2-CG 4.48Å; I151-M153 PolarHBondContact O-N 3.09Å; M153-F155 PolarHBondContact O-N 3.17Å; M153-T205 WeakPolarHBondContact O-CA 3.32Å; M153-A206 PolarHBondContact N-O 3.23Å; M153-A206 PolarHBondContact O-N 2.87Å; M153-F208 HydrophobicContact CB-CB 4.46Å; M153-F208 HydrophobicContact CB-CD2 4.47Å; M153-F208 HydrophobicContact CG-CB 4.16Å; M153-F208 HydrophobicContact CG-CD2 4.31Å; M153-F216 HydrophobicContact CB-CD1 3.7Å; M153-F216 HydrophobicContact CB-CE1 3.84Å; M153-F224 HydrophobicContact CB-CZ 3.89Å; M153-F224 HydrophobicContact CE-CD1 4.44Å; M153-F224 HydrophobicContact CE-CE1 4.06Å; M153-F224 HydrophobicContact CG-CE1 4.03Å; M153-F224 HydrophobicContact CG-CZ 3.8Å; M153-F224 HydrophobicContact SD-CE1 4.01Å; M153-F224 HydrophobicContact SD-CE2 4.47Å; M153-F224 HydrophobicContact SD-CZ 3.92Å; M153-F225 HydrophobicContact CE-CD1 3.37Å; M153-F225 HydrophobicContact CE-CE1 3.53Å; M153-F225 HydrophobicContact CE-CG 4.34Å
154	P	74.7	Confident	65.2	Low	39 Å²	39	86.4 Å²	86.4	25%	0.253	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	126	-173.7	26.3	-35	0	0	0	112.8	I217	P154-I217 HydrophobicContact CB-CD1 4.38Å; P154-I217 PolarHBondContact O-N 3.18Å
155	F	67.3	Low	62.8	Low	26 Å²	26	90.9 Å²	90.9	11%	0.114	40%	0.395	C	S	.	.	B	Isolated β-bridge	trans	-102.3	144.5	-173.6	-159.6	-94.7	0	0	0	111.7	M153 F204 A206 H215 F216 M897	M153-F155 PolarHBondContact O-N 3.17Å; F155-F204 VanDerWaalsContact CB-O 3.24Å; F155-F204 WeakPolarHBondContact CB-O 3.33Å; F155-F204 PolarHBondContact N-O 2.62Å; F155-A206 HydrophobicContact CB-CB 4.34Å; F155-A206 HydrophobicContact CD2-CB 3.76Å; F155-A206 HydrophobicContact CE2-CB 4.37Å; F155-A206 HydrophobicContact CG-CB 4.3Å; F155-H215 HydrophobicContact CD2-CB 4.03Å; F155-H215 HydrophobicContact CE1-CB 4.06Å; F155-H215 HydrophobicContact CE2-CB 3.38Å; F155-H215 HydrophobicContact CZ-CB 3.4Å; F155-H215 VanDerWaalsContact CZ-CB 3.4Å; F155-H215 AromaticContact CZ-CG 3.77Å; F155-F216 HydrophobicContact CD2-CD1 4.31Å; F155-F216 AromaticContact CD2-CE1 3.97Å; F155-F216 HydrophobicContact CD2-CE1 3.97Å; F155-F216 HydrophobicContact CD2-CE2 4.45Å; F155-F216 HydrophobicContact CD2-CZ 4.05Å; F155-F216 HydrophobicContact CE2-CZ 4.4Å; F155-M897 HydrophobicContact CD1-CE 4.32Å; F155-M897 HydrophobicContact CD1-SD 4.03Å; F155-M897 HydrophobicContact CE1-CE 4.21Å; F155-M897 HydrophobicContact CE1-SD 3.66Å
156	R	60.2	Low	60.9	Low	142 Å²	142	96.3 Å²	96.3	54%	0.536	42%	0.42	S	S	.	.	P	Polyproline II helix	trans	-71.9	131.6	-179.4	-72.9	174.9	176.1	-144.8	-8.9	110.6	H215 F216 I217	R156-H215 VanDerWaalsContact CB-O 3.24Å; R156-H215 WeakPolarHBondContact CB-O 3.35Å; R156-H215 VanDerWaalsContact CG-O 3.29Å; R156-H215 WeakPolarHBondContact CG-O 3.37Å; R156-H215 PolarHBondContact N-O 2.99Å; R156-F216 PolarHBondContact NE-O 3.3Å; R156-I217 HydrophobicContact CG-CG1 3.73Å
157	R	58.9	Low	59.1	Low	77 Å²	77	100.8 Å²	100.8	29%	0.291	44%	0.44	S	S	.	.			trans	-104.1	130.9	-174.6	170.9	176.2	169.5	-171.4	-6	112.1	I159 F160 E202	R157-I159 HydrophobicContact CG-CG1 4.15Å; R157-I159 PolarHBondContact O-N 2.58Å; R157-F160 PolarHBondContact NH2-O 3.21Å; R157-E202 IonicContact NH1-OE2 3.29Å
158	K	46.7	Very low	57.2	Low	121 Å²	121	104.3 Å²	104.3	53%	0.526	46%	0.455	S	S	.	.			trans	-70.2	115.3	153.8	-75.6	173.1	175.8	163.6	0	108.1	F160 E900	K158-F160 PolarHBondContact O-N 2.93Å; K158-E900 IonicContact NZ-OE1 2.83Å; K158-E900 PolarHBondContact NZ-OE1 3.29Å; K158-E900 IonicContact NZ-OE2 3.64Å; K158-E900 PolarHBondContact NZ-OE2 2.89Å
159	I	43.5	Very low	55.5	Low	121 Å²	121	103.3 Å²	103.3	62%	0.621	45%	0.449	S	S	*	.			trans	-82.1	88.3	-172	-58.2	170.7	0	0	0	110.9	R157	R157-I159 HydrophobicContact CG-CG1 4.15Å; R157-I159 PolarHBondContact O-N 2.58Å
160	F	42.7	Very low	54.2	Low	131 Å²	131	103.9 Å²	103.9	58%	0.575	46%	0.456	S	S	*	.			trans	-70.3	128	159.4	-69.1	-72.6	0	0	0	110.3	R157 K158 M162	R157-F160 PolarHBondContact NH2-O 3.21Å; K158-F160 PolarHBondContact O-N 2.93Å; F160-M162 PolarHBondContact O-N 2.98Å
161	Y	41.4	Very low	52.9	Low	207 Å²	207	108.4 Å²	108.4	81%	0.812	47%	0.469	S	S	*	.			trans	-70.9	116.7	-166.2	-69	-89	0	0	0	114.3	H163	Y161-H163 PolarHBondContact O-N 2.82Å; Y161-H163 VanDerWaalsContact O-N 3.09Å
162	M	41.1	Very low	51.3	Low	100 Å²	100	112.6 Å²	112.6	49%	0.493	49%	0.489	S	S	.	.			trans	-82.2	31.5	177.3	-86.4	-84.6	88	0	0	114.9	F160 R164 R889	F160-M162 PolarHBondContact O-N 2.98Å; M162-R164 PolarHBondContact O-N 3.42Å; M162-R889 PolarHBondContact SD-NH1 3.41Å; M162-R889 PolarHBondContact SD-NH2 3.38Å
163	H	40.6	Very low	50	Low	156 Å²	156	115.3 Å²	115.3	72%	0.722	51%	0.505	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.5	-21.8	-156.1	-153.8	65.8	0	0	0	117.1	Y161 K167	Y161-H163 PolarHBondContact O-N 2.82Å; Y161-H163 VanDerWaalsContact O-N 3.09Å; H163-K167 PolarHBondContact NE2-NZ 3.19Å; H163-K167 WeakPolarHBondContact O-CB 3.47Å
164	R	37.2	Very low	48.8	Very low	235 Å²	235	122.1 Å²	122.1	89%	0.887	53%	0.534	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.7	-49.4	-167.3	-141.3	174.1	-167.1	175.6	3.8	115.1	M162	M162-R164 PolarHBondContact O-N 3.42Å
165	R	40.1	Very low	47.8	Very low	202 Å²	202	129.9 Å²	129.9	76%	0.762	56%	0.558	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.6	-45.3	-172.8	-160	172.7	-174.8	176.4	-1.2	112.5	K167 F168 L169	R165-K167 VanDerWaalsContact C-N 3.31Å; R165-K167 PolarHBondContact O-N 2.98Å; R165-F168 PolarHBondContact O-N 3.36Å; R165-L169 PolarHBondContact O-N 2.78Å; R165-L169 VanDerWaalsContact O-N 3.08Å
166	H	46.6	Very low	47.1	Very low	131 Å²	131	132.9 Å²	132.9	61%	0.606	57%	0.574	S	S	*	*	H	α-helix	trans	-62.3	-38.6	178	-159.7	-125.9	0	0	0	112	F168 L169 S170	H166-F168 PolarHBondContact O-N 2.87Å; H166-L169 PolarHBondContact O-N 3.18Å; H166-S170 PolarHBondContact O-N 3.01Å; H166-S170 PolarHBondContact O-OG 3.04Å; H166-S170 VanDerWaalsContact O-OG 3.1Å
167	K	48.4	Very low	46.7	Very low	94 Å²	94	128.4 Å²	128.4	41%	0.409	56%	0.561	S	S	.	*	H	α-helix	trans	-73.1	-3.7	176.1	-152.3	175.5	-168.7	178.3	0	114.1	H163 R165 R171	H163-K167 PolarHBondContact NE2-NZ 3.19Å; H163-K167 WeakPolarHBondContact O-CB 3.47Å; R165-K167 VanDerWaalsContact C-N 3.31Å; R165-K167 PolarHBondContact O-N 2.98Å; K167-R171 PolarHBondContact O-NE 3.3Å; K167-R171 PolarHBondContact O-NH2 3.37Å
168	F	44.7	Very low	46.4	Very low	137 Å²	137	133.4 Å²	133.4	60%	0.601	59%	0.585	S	S	*	*	H	α-helix	trans	-99.1	-47.3	168.4	-166.7	-88.7	0	0	0	110.5	R165 H166 S170 R171 M172	R165-F168 PolarHBondContact O-N 3.36Å; H166-F168 PolarHBondContact O-N 2.87Å; F168-S170 PolarHBondContact O-N 3.27Å; F168-R171 WeakPolarHBondContact O-CB 3.16Å; F168-R171 PolarHBondContact O-N 2.97Å; F168-R171 VanDerWaalsContact O-N 3.09Å; F168-M172 PolarHBondContact O-N 3.4Å
169	L	44.9	Very low	46.5	Very low	93 Å²	93	136.8 Å²	136.8	49%	0.487	60%	0.6	S	S	.	*	H	α-helix	trans	-55.5	-49.8	174.1	-80	164	0	0	0	111.9	R165 H166 R171 M172 E173	R165-L169 PolarHBondContact O-N 2.78Å; R165-L169 VanDerWaalsContact O-N 3.08Å; H166-L169 PolarHBondContact O-N 3.18Å; L169-R171 VanDerWaalsContact C-N 3.25Å; L169-R171 PolarHBondContact O-N 2.82Å; L169-M172 HydrophobicContact CD2-CE 4.41Å; L169-M172 CarbonylContact O-C 3.6Å; L169-M172 PolarHBondContact O-N 2.81Å; L169-M172 VanDerWaalsContact O-N 3.09Å; L169-E173 WeakPolarHBondContact O-CB 3.36Å; L169-E173 PolarHBondContact O-N 2.96Å
170	S	49.4	Very low	46.5	Very low	40 Å²	40	138.8 Å²	138.8	28%	0.28	60%	0.599	S	S	.	*	H	α-helix	trans	-68	-20.6	178.2	67.3	0	0	0	0	114	H166 F168 K174	H166-S170 PolarHBondContact O-N 3.01Å; H166-S170 PolarHBondContact O-OG 3.04Å; H166-S170 VanDerWaalsContact O-OG 3.1Å; F168-S170 PolarHBondContact O-N 3.27Å; S170-K174 VanDerWaalsContact O-CB 3.22Å; S170-K174 WeakPolarHBondContact O-CB 3.43Å; S170-K174 WeakPolarHBondContact O-CG 3.47Å; S170-K174 PolarHBondContact O-N 3.17Å
171	R	49.3	Very low	46.4	Very low	149 Å²	149	135.3 Å²	135.3	56%	0.562	60%	0.601	S	S	*	*	H	α-helix	trans	-76.1	-40.1	169.3	-97.1	-176.1	-70.7	175.5	-1.1	111.8	K167 F168 L169 K174 R175	K167-R171 PolarHBondContact O-NE 3.3Å; K167-R171 PolarHBondContact O-NH2 3.37Å; F168-R171 WeakPolarHBondContact O-CB 3.16Å; F168-R171 PolarHBondContact O-N 2.97Å; F168-R171 VanDerWaalsContact O-N 3.09Å; L169-R171 VanDerWaalsContact C-N 3.25Å; L169-R171 PolarHBondContact O-N 2.82Å; R171-K174 PolarHBondContact O-N 3.12Å; R171-R175 PolarHBondContact O-N 3.33Å
172	M	46.4	Very low	46.6	Very low	96 Å²	96	137 Å²	137	47%	0.473	61%	0.606	S	S	.	*	H	α-helix	trans	-67.4	-42.1	174.4	-164.1	166.9	76.7	0	0	110.9	F168 L169 R175 I176	F168-M172 PolarHBondContact O-N 3.4Å; L169-M172 HydrophobicContact CD2-CE 4.41Å; L169-M172 CarbonylContact O-C 3.6Å; L169-M172 PolarHBondContact O-N 2.81Å; L169-M172 VanDerWaalsContact O-N 3.09Å; M172-R175 WeakPolarHBondContact O-CB 3.09Å; M172-R175 PolarHBondContact O-N 3.35Å; M172-I176 HydrophobicContact CG-CD1 4.22Å; M172-I176 WeakPolarHBondContact O-CG1 3.14Å; M172-I176 PolarHBondContact O-N 2.97Å
173	E	48.6	Very low	46.6	Very low	110 Å²	110	137.8 Å²	137.8	51%	0.514	61%	0.612	S	S	.	*	H	α-helix	trans	-67.6	-36.3	175.2	-153	-155.4	148.9	0	0	112.3	L169 I176 N177	L169-E173 WeakPolarHBondContact O-CB 3.36Å; L169-E173 PolarHBondContact O-N 2.96Å; E173-I176 PolarHBondContact O-N 3.02Å; E173-N177 VanDerWaalsContact O-CB 3.29Å; E173-N177 WeakPolarHBondContact O-CB 3.17Å; E173-N177 PolarHBondContact O-N 2.93Å; E173-N177 PolarHBondContact O-ND2 3.12Å; E173-N177 PolarHBondContact OE1-ND2 2.62Å
174	K	52.5	Low	46.5	Very low	158 Å²	158	135.5 Å²	135.5	69%	0.687	61%	0.611	S	S	*	*	H	α-helix	trans	-65.5	-35.4	169.8	-80	176.9	177.9	-173.5	0	112.4	S170 R171 K178	S170-K174 VanDerWaalsContact O-CB 3.22Å; S170-K174 WeakPolarHBondContact O-CB 3.43Å; S170-K174 WeakPolarHBondContact O-CG 3.47Å; S170-K174 PolarHBondContact O-N 3.17Å; R171-K174 PolarHBondContact O-N 3.12Å; K174-K178 VanDerWaalsContact O-CB 3.28Å; K174-K178 WeakPolarHBondContact O-CB 3.49Å; K174-K178 PolarHBondContact O-N 2.9Å
175	R	52.5	Low	46.9	Very low	202 Å²	202	136.2 Å²	136.2	76%	0.762	61%	0.613	S	S	*	*	H	α-helix	trans	-64.9	-45.8	170.5	-77.1	-178.1	173.5	-172.8	-3.2	111.7	R171 M172 K178 F179	R171-R175 PolarHBondContact O-N 3.33Å; M172-R175 WeakPolarHBondContact O-CB 3.09Å; M172-R175 PolarHBondContact O-N 3.35Å; R175-K178 PolarHBondContact O-N 2.72Å; R175-F179 PolarHBondContact O-N 3.2Å
176	I	54.3	Low	46.7	Very low	89 Å²	89	132.1 Å²	132.1	46%	0.456	60%	0.601	S	S	.	*	H	α-helix	trans	-63.7	-47.4	178	-68.3	162.8	0	0	0	111.1	M172 E173 K178 F179 R180	M172-I176 HydrophobicContact CG-CD1 4.22Å; M172-I176 WeakPolarHBondContact O-CG1 3.14Å; M172-I176 PolarHBondContact O-N 2.97Å; E173-I176 PolarHBondContact O-N 3.02Å; I176-K178 VanDerWaalsContact C-N 3.3Å; I176-K178 PolarHBondContact O-N 3.19Å; I176-F179 WeakPolarHBondContact O-CB 3.45Å; I176-F179 PolarHBondContact O-N 3.37Å; I176-R180 WeakPolarHBondContact O-CB 3.45Å; I176-R180 PolarHBondContact O-N 2.71Å
177	N	51.7	Low	46.4	Very low	47 Å²	47	130 Å²	130	25%	0.251	60%	0.599	S	S	.	*	H	α-helix	trans	-64.1	-32.2	176	-76.6	-56.3	0	0	0	112	E173 R180 G181 K186	E173-N177 VanDerWaalsContact O-CB 3.29Å; E173-N177 WeakPolarHBondContact O-CB 3.17Å; E173-N177 PolarHBondContact O-N 2.93Å; E173-N177 PolarHBondContact O-ND2 3.12Å; E173-N177 PolarHBondContact OE1-ND2 2.62Å; N177-R180 CarbonylContact O-C 3.51Å; N177-R180 PolarHBondContact O-N 2.72Å; N177-G181 PolarHBondContact O-N 3.45Å; N177-G181 VanDerWaalsContact O-N 3.1Å; N177-K186 PolarHBondContact OD1-NZ 3.44Å
178	K	51.4	Low	45.8	Very low	182 Å²	182	130.3 Å²	130.3	79%	0.791	60%	0.603	S	S	*	*	H	α-helix	trans	-67.9	-39	172.6	-166.9	173.3	-175.1	-179.3	0	112	K174 R175 I176 R180 G181	K174-K178 VanDerWaalsContact O-CB 3.28Å; K174-K178 WeakPolarHBondContact O-CB 3.49Å; K174-K178 PolarHBondContact O-N 2.9Å; R175-K178 PolarHBondContact O-N 2.72Å; I176-K178 VanDerWaalsContact C-N 3.3Å; I176-K178 PolarHBondContact O-N 3.19Å; K178-R180 VanDerWaalsContact C-N 3.29Å; K178-R180 PolarHBondContact O-N 3.38Å; K178-G181 PolarHBondContact O-N 2.85Å
179	F	48.4	Very low	45.5	Very low	192 Å²	192	130.1 Å²	130.1	84%	0.842	60%	0.602	S	S	*	*	H	α-helix	trans	-66.2	-31	171.1	-126	-88.1	0	0	0	112.6	R175 I176 G181	R175-F179 PolarHBondContact O-N 3.2Å; I176-F179 WeakPolarHBondContact O-CB 3.45Å; I176-F179 PolarHBondContact O-N 3.37Å; F179-G181 VanDerWaalsContact C-N 3.32Å
180	R	44.2	Very low	45.4	Very low	163 Å²	163	127.5 Å²	127.5	62%	0.615	59%	0.587	S	S	*	*	G	3₁₀ helix	trans	-84.6	-1.9	178.9	-148.5	169.3	-172.7	166.8	2.1	113.8	I176 N177 K178 W182 L183	I176-R180 WeakPolarHBondContact O-CB 3.45Å; I176-R180 PolarHBondContact O-N 2.71Å; N177-R180 CarbonylContact O-C 3.51Å; N177-R180 PolarHBondContact O-N 2.72Å; K178-R180 VanDerWaalsContact C-N 3.29Å; K178-R180 PolarHBondContact O-N 3.38Å; R180-W182 PolarHBondContact O-N 2.99Å; R180-L183 PolarHBondContact O-N 3.09Å
181	G	40.2	Very low	44.9	Very low	59 Å²	59	130.7 Å²	130.7	61%	0.608	60%	0.601	S	S	*	*	G	3₁₀ helix	trans	-73.6	-3.2	-175.9	0	0	0	0	0	115.7	N177 K178 F179	N177-G181 PolarHBondContact O-N 3.45Å; N177-G181 VanDerWaalsContact O-N 3.1Å; K178-G181 PolarHBondContact O-N 2.85Å; F179-G181 VanDerWaalsContact C-N 3.32Å
182	W	46.6	Very low	44.6	Very low	241 Å²	241	127.3 Å²	127.3	91%	0.913	59%	0.594	S	S	*	*	G	3₁₀ helix	trans	-84.4	-12.6	172.4	-170	65.5	0	0	0	113	R180	R180-W182 PolarHBondContact O-N 2.99Å
183	L	40.8	Very low	44.3	Very low	117 Å²	117	130.2 Å²	130.2	61%	0.613	61%	0.611	S	S	*	*	S	Bend	trans	-91.2	150.1	166.3	-80.3	89.2	0	0	0	110.6	R180	R180-L183 PolarHBondContact O-N 3.09Å
184	P	38.9	Very low	44.1	Very low	109 Å²	109	129.3 Å²	129.3	71%	0.708	61%	0.613	S	S	*	*			trans	-59.7	154.4	-177.9	23.5	-34.4	0	0	0	113.4	K186	P184-K186 PolarHBondContact O-N 2.74Å; P184-K186 VanDerWaalsContact O-N 3.12Å
185	R	44.4	Very low	43.7	Very low	249 Å²	249	123.1 Å²	123.1	94%	0.94	59%	0.588	S	S	*	*	S	Bend	trans	-43.8	117.3	178.8	-69.2	-179.7	176.4	179.6	-1.6	110.8	P187	R185-P187 WeakPolarHBondContact O-CD 3.28Å
186	K	37.3	Very low	43.1	Very low	116 Å²	116	118.5 Å²	118.5	50%	0.504	58%	0.584	S	S	.	*			trans	-39.8	94.7	-170.8	-64.6	174.7	-176.7	171.3	0	112.9	N177 P184 M188 K189	N177-K186 PolarHBondContact OD1-NZ 3.44Å; P184-K186 PolarHBondContact O-N 2.74Å; P184-K186 VanDerWaalsContact O-N 3.12Å; K186-M188 PolarHBondContact O-N 3.03Å; K186-M188 VanDerWaalsContact O-N 3.16Å; K186-K189 HydrophobicContact CB-CB 4.49Å; K186-K189 PolarHBondContact O-N 2.9Å
187	P	39.3	Very low	42.4	Very low	86 Å²	86	124.4 Å²	124.4	56%	0.558	60%	0.602	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.7	-13	-168	29.5	-35.4	0	0	0	113.6	R185	R185-P187 WeakPolarHBondContact O-CD 3.28Å
188	M	35.8	Very low	41.9	Very low	101 Å²	101	124.7 Å²	124.7	50%	0.498	60%	0.603	S	S	.	*	T	Hydrogen-bonded Turn	trans	-93.2	-26.7	-177.7	-66.9	171	167.2	0	0	113.9	K186 Y303	K186-M188 PolarHBondContact O-N 3.03Å; K186-M188 VanDerWaalsContact O-N 3.16Å; M188-Y303 HydrophobicContact CB-CD2 4.05Å; M188-Y303 HydrophobicContact CB-CE2 3.69Å; M188-Y303 WeakPolarHBondContact O-CD2 3.29Å; M188-Y303 PolarHBondContact O-N 2.86Å; M188-Y303 VanDerWaalsContact O-N 3.16Å
189	K	37.9	Very low	41.2	Very low	133 Å²	133	123 Å²	123	58%	0.578	60%	0.598	S	S	*	*	S	Bend	trans	-74.4	136.1	-175.9	-152.3	-165.6	178.4	-157.8	0	109.4	K186	K186-K189 HydrophobicContact CB-CB 4.49Å; K186-K189 PolarHBondContact O-N 2.9Å
190	F	42.7	Very low	40.8	Very low	39 Å²	39	121.5 Å²	121.5	17%	0.171	59%	0.593	C	S	.	*			trans	-64.8	143.2	170.2	-146.9	-86.7	0	0	0	109.8	N192 L195 C293 P305	F190-N192 PolarHBondContact O-N 3.47Å; F190-N192 PolarHBondContact O-OD1 3.17Å; F190-L195 HydrophobicContact CE1-CD1 3.93Å; F190-C293 HydrophobicContact CE2-CB 3.92Å; F190-C293 HydrophobicContact CZ-CB 3.71Å; F190-P305 HydrophobicContact CD2-CB 4.43Å; F190-P305 HydrophobicContact CE2-CB 4.12Å; F190-P305 HydrophobicContact CE2-CG 4.37Å; F190-P305 HydrophobicContact CZ-CB 4.45Å
191	D	39.5	Very low	40.8	Very low	106 Å²	106	119 Å²	119	57%	0.567	59%	0.592	S	S	*	*			trans	-96.2	78.9	-169.2	-139.6	9.9	0	0	0	108.7	D193 T194	D191-D193 PolarHBondContact O-N 2.85Å; D191-D193 VanDerWaalsContact O-N 3.07Å; D191-T194 HydrophobicContact CB-CG2 4.33Å; D191-T194 PolarHBondContact O-N 3.33Å; D191-T194 PolarHBondContact O-OG1 3.18Å
192	N	42.6	Very low	41.2	Very low	79 Å²	79	123.1 Å²	123.1	42%	0.422	60%	0.596	S	S	.	*	G	3₁₀ helix	trans	-52	-33	-173.3	-70.5	33.8	0	0	0	112.6	F190 T194 L195	F190-N192 PolarHBondContact O-N 3.47Å; F190-N192 PolarHBondContact O-OD1 3.17Å; N192-T194 PolarHBondContact O-N 2.8Å; N192-L195 PolarHBondContact O-N 2.95Å
193	D	41.3	Very low	41.6	Very low	157 Å²	157	113.5 Å²	113.5	84%	0.84	57%	0.565	S	S	*	*	G	3₁₀ helix	trans	-56.8	-13.2	177.4	-57.2	7.8	0	0	0	113.7	D191	D191-D193 PolarHBondContact O-N 2.85Å; D191-D193 VanDerWaalsContact O-N 3.07Å
194	T	44.2	Very low	42.6	Very low	91 Å²	91	110.1 Å²	110.1	56%	0.558	55%	0.546	S	S	*	.	G	3₁₀ helix	trans	-91.9	-6.2	176.5	62	0	0	0	0	115.1	D191 N192	D191-T194 HydrophobicContact CB-CG2 4.33Å; D191-T194 PolarHBondContact O-N 3.33Å; D191-T194 PolarHBondContact O-OG1 3.18Å; N192-T194 PolarHBondContact O-N 2.8Å
195	L	44.2	Very low	44.1	Very low	28 Å²	28	105.9 Å²	105.9	15%	0.147	52%	0.518	C	S	.	.			trans	-134.7	80.3	-175.8	-76.2	164.3	0	0	0	112.2	F190 N192 Y197 L198 L289	F190-L195 HydrophobicContact CE1-CD1 3.93Å; N192-L195 PolarHBondContact O-N 2.95Å; L195-Y197 PolarHBondContact O-N 3.21Å; L195-L198 HydrophobicContact CB-CB 4.41Å; L195-L198 HydrophobicContact CB-CD1 4.05Å; L195-L198 HydrophobicContact CD1-CD1 3.81Å; L195-L198 HydrophobicContact CG-CD1 4.49Å; L195-L198 PolarHBondContact O-N 2.95Å; L195-L289 HydrophobicContact CD1-CD1 4.26Å; L195-L289 HydrophobicContact CD1-CD2 4.21Å; L195-L289 HydrophobicContact CD2-CD1 4.17Å; L195-L289 HydrophobicContact CD2-CD2 3.85Å
196	P	39.8	Very low	45.3	Very low	104 Å²	104	94.9 Å²	94.9	68%	0.675	48%	0.48	S	S	*	.	G	3₁₀ helix	trans	-63.3	-12.3	-177.5	24.8	-34.6	0	0	0	115.1	L198	P196-L198 VanDerWaalsContact C-N 3.32Å
197	Y	39.8	Very low	47	Very low	213 Å²	213	91.9 Å²	91.9	84%	0.835	47%	0.473	S	S	*	.	G	3₁₀ helix	trans	-85.6	2.5	173.4	-61.9	-77.8	0	0	0	114.3	L195	L195-Y197 PolarHBondContact O-N 3.21Å
198	L	39.7	Very low	48.8	Very low	53 Å²	53	87.9 Å²	87.9	28%	0.277	45%	0.447	S	S	.	.	G	3₁₀ helix	trans	-108.9	27.3	173.9	-80	167.5	0	0	0	112.5	L195 P196 E200	L195-L198 HydrophobicContact CB-CB 4.41Å; L195-L198 HydrophobicContact CB-CD1 4.05Å; L195-L198 HydrophobicContact CD1-CD1 3.81Å; L195-L198 HydrophobicContact CG-CD1 4.49Å; L195-L198 PolarHBondContact O-N 2.95Å; P196-L198 VanDerWaalsContact C-N 3.32Å; L198-E200 PolarHBondContact O-N 3.11Å; L198-E200 VanDerWaalsContact O-N 3.12Å
199	E	36.6	Very low	50.5	Low	147 Å²	147	83.8 Å²	83.8	69%	0.687	43%	0.428	S	S	*	.			trans	-65.4	112.1	173.3	-148.8	177.5	-142.5	0	0	110.4	N201	E199-N201 PolarHBondContact O-N 3.38Å; E199-N201 PolarHBondContact OE2-ND2 2.75Å
200	E	41.4	Very low	52.2	Low	160 Å²	160	83 Å²	83	75%	0.748	42%	0.421	S	S	*	.			trans	-71.2	70.6	176.3	-69.2	176.6	153.2	0	0	110.4	L198 E202	L198-E200 PolarHBondContact O-N 3.11Å; L198-E200 VanDerWaalsContact O-N 3.12Å; E200-E202 PolarHBondContact O-N 3.3Å
201	N	44.1	Very low	53.4	Low	111 Å²	111	85.4 Å²	85.4	59%	0.594	44%	0.443	S	S	*	.			trans	-63.3	106.6	167.3	-82.6	-69.6	0	0	0	108.8	E199 S203	E199-N201 PolarHBondContact O-N 3.38Å; E199-N201 PolarHBondContact OE2-ND2 2.75Å; N201-S203 PolarHBondContact O-N 3.09Å; N201-S203 PolarHBondContact O-OG 2.79Å
202	E	48.4	Very low	54.8	Low	146 Å²	146	84.9 Å²	84.9	68%	0.682	43%	0.433	S	S	*	.			trans	-57.7	73.5	174.3	-66.6	-175.1	157.1	0	0	111.5	R157 E200	R157-E202 IonicContact NH1-OE2 3.29Å; E200-E202 PolarHBondContact O-N 3.3Å
203	S	54.1	Low	56.2	Low	38 Å²	38	83.9 Å²	83.9	27%	0.266	43%	0.427	S	S	.	.			trans	-110.5	116.7	-178.2	47.8	0	0	0	0	108.3	N201	N201-S203 PolarHBondContact O-N 3.09Å; N201-S203 PolarHBondContact O-OG 2.79Å
204	F	62.6	Low	57.4	Low	46 Å²	46	82 Å²	82	20%	0.202	41%	0.413	C	S	.	.			trans	-58.9	140	174.1	-62.1	-73.4	0	0	0	109.4	F155 E890 L893	F155-F204 VanDerWaalsContact CB-O 3.24Å; F155-F204 WeakPolarHBondContact CB-O 3.33Å; F155-F204 PolarHBondContact N-O 2.62Å; F204-E890 HydrophobicContact CD1-CB 4.15Å; F204-E890 HydrophobicContact CD1-CG 3.76Å; F204-E890 HydrophobicContact CE1-CB 3.99Å; F204-E890 HydrophobicContact CE1-CG 4.13Å; F204-L893 HydrophobicContact CE1-CD1 4.28Å; F204-L893 HydrophobicContact CE2-CD1 3.63Å; F204-L893 HydrophobicContact CZ-CD1 3.44Å; F204-L893 VanDerWaalsContact CZ-CD1 3.44Å
205	T	69.6	Low	58.5	Low	20 Å²	20	80.3 Å²	80.3	12%	0.123	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	141.6	176.8	68.4	0	0	0	0	110.3	M153 D427	M153-T205 WeakPolarHBondContact O-CA 3.32Å; T205-D427 WeakPolarHBondContact CB-OD1 2.89Å; T205-D427 WeakPolarHBondContact CG2-OD1 3.41Å; T205-D427 PolarHBondContact OG1-OD1 2.69Å
206	A	69.6	Low	60	Low	19 Å²	19	79 Å²	79	16%	0.157	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	148.2	179.3	0	0	0	0	0	109.8	R152 M153 F155 F208 F216	R152-A206 WeakPolarHBondContact CA-O 3.08Å; M153-A206 PolarHBondContact N-O 3.23Å; M153-A206 PolarHBondContact O-N 2.87Å; F155-A206 HydrophobicContact CB-CB 4.34Å; F155-A206 HydrophobicContact CD2-CB 3.76Å; F155-A206 HydrophobicContact CE2-CB 4.37Å; F155-A206 HydrophobicContact CG-CB 4.3Å; A206-F208 PolarHBondContact O-N 2.95Å; A206-F216 HydrophobicContact CB-CE1 4.18Å; A206-F216 HydrophobicContact CB-CZ 4.31Å; A206-F216 WeakPolarHBondContact O-CE1 3.47Å
207	P	73.3	Confident	61.4	Low	53 Å²	53	76.4 Å²	76.4	34%	0.344	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.6	123.8	176.4	24.3	-33.7	0	0	0	109.9	N150 S209	N150-P207 HydrophobicContact CB-CB 4.16Å; N150-P207 WeakPolarHBondContact O-CA 3.16Å; N150-P207 WeakPolarHBondContact O-CB 3.41Å; P207-S209 PolarHBondContact O-N 3.5Å
208	F	76.8	Confident	62.9	Low	2 Å²	2	68.4 Å²	68.4	1%	0.009	34%	0.343	C	S	.	.			trans	-62.1	129.2	-174.7	-179.7	-94.1	0	0	0	111	C143 A146 E147 I151 M153 A206 R210 I213 F216 F224	C143-F208 HydrophobicContact CB-CE1 3.94Å; C143-F208 HydrophobicContact CB-CZ 4.32Å; A146-F208 HydrophobicContact CB-CD1 3.88Å; A146-F208 HydrophobicContact CB-CE1 4.49Å; A146-F208 HydrophobicContact CB-CG 4.44Å; E147-F208 WeakPolarHBondContact CA-O 3.4Å; I151-F208 WeakPolarHBondContact O-CB 3.47Å; I151-F208 PolarHBondContact O-N 2.95Å; M153-F208 HydrophobicContact CB-CB 4.46Å; M153-F208 HydrophobicContact CB-CD2 4.47Å; M153-F208 HydrophobicContact CG-CB 4.16Å; M153-F208 HydrophobicContact CG-CD2 4.31Å; A206-F208 PolarHBondContact O-N 2.95Å; F208-R210 HydrophobicContact CE1-CG 4.14Å; F208-I213 HydrophobicContact CE2-CD1 4.49Å; F208-I213 HydrophobicContact CE2-CG1 4.22Å; F208-I213 HydrophobicContact CZ-CD1 3.99Å; F208-I213 HydrophobicContact CZ-CG1 4.17Å; F208-F216 HydrophobicContact CD2-CD1 4.47Å; F208-F216 HydrophobicContact CD2-CD2 4.25Å; F208-F216 HydrophobicContact CD2-CE2 4.31Å; F208-F216 HydrophobicContact CD2-CG 4.32Å; F208-F216 HydrophobicContact CD2-CZ 4.46Å; F208-F216 HydrophobicContact CE2-CD2 4.48Å; F208-F224 HydrophobicContact CD2-CE1 4.08Å; F208-F224 HydrophobicContact CD2-CZ 4.13Å; F208-F224 AromaticContact CE2-CE1 3.89Å; F208-F224 HydrophobicContact CE2-CE1 3.89Å; F208-F224 HydrophobicContact CE2-CZ 4.11Å
209	S	73.1	Confident	64.1	Low	14 Å²	14	74.2 Å²	74.2	10%	0.098	37%	0.368	C	S	.	.			trans	-136.8	135.1	172.8	173.4	0	0	0	0	111.1	E147 P207 S211 R212 I213	E147-S209 WeakPolarHBondContact OE1-CA 3.43Å; E147-S209 WeakPolarHBondContact OE1-CB 3.32Å; E147-S209 PolarHBondContact OE1-OG 3.19Å; P207-S209 PolarHBondContact O-N 3.5Å; S209-S211 PolarHBondContact O-N 3.27Å; S209-S211 PolarHBondContact OG-N 3.02Å; S209-S211 PolarHBondContact OG-OG 3.27Å; S209-R212 CarbonylContact O-C 3.54Å; S209-R212 PolarHBondContact O-N 3.31Å; S209-I213 PolarHBondContact O-N 2.89Å
210	R	73.1	Confident	65.9	Low	116 Å²	116	71 Å²	71	44%	0.438	36%	0.355	S	S	.	.	G	3₁₀ helix	trans	-62.7	-32.9	-178.8	-63.6	174.7	75.6	-164.4	4.8	111.5	C143 E147 F208 R212 I213	C143-R210 HydrophobicContact CB-CG 4.1Å; E147-R210 PolarHBondContact OE1-N 2.92Å; E147-R210 WeakPolarHBondContact OE2-CB 3.31Å; E147-R210 WeakPolarHBondContact OE2-CD 3.22Å; E147-R210 WeakPolarHBondContact OE2-CG 3.05Å; F208-R210 HydrophobicContact CE1-CG 4.14Å; R210-R212 VanDerWaalsContact C-N 3.26Å; R210-R212 PolarHBondContact O-N 3.49Å; R210-I213 PolarHBondContact O-N 3.28Å
211	S	67	Low	67.6	Low	90 Å²	90	69.1 Å²	69.1	63%	0.629	35%	0.345	S	S	*	.	G	3₁₀ helix	trans	-61.9	-31.3	174.4	67.4	0	0	0	0	113.6	S209	S209-S211 PolarHBondContact O-N 3.27Å; S209-S211 PolarHBondContact OG-N 3.02Å; S209-S211 PolarHBondContact OG-OG 3.27Å
212	R	69.6	Low	68.9	Low	95 Å²	95	69.4 Å²	69.4	36%	0.358	35%	0.347	S	S	.	.	G	3₁₀ helix	trans	-109.3	15.9	-174.3	-67.9	179.3	-68.3	174.9	2.8	112.9	S209 R210 H214 H215 F216	S209-R212 CarbonylContact O-C 3.54Å; S209-R212 PolarHBondContact O-N 3.31Å; R210-R212 VanDerWaalsContact C-N 3.26Å; R210-R212 PolarHBondContact O-N 3.49Å; R212-H214 PolarHBondContact O-N 3.36Å; R212-H215 WeakPolarHBondContact O-CB 3.25Å; R212-H215 PolarHBondContact O-N 3.1Å; R212-F216 HydrophobicContact CB-CE2 4.3Å; R212-F216 WeakPolarHBondContact O-CD2 3.35Å
213	I	72.6	Confident	70.2	Confident	58 Å²	58	67.2 Å²	67.2	30%	0.297	34%	0.343	S	S	.	.	G	3₁₀ helix	trans	-55.4	-29.1	-170.7	-160.5	165.6	0	0	0	114.3	W139 F208 S209 R210 H215 F216 I218	W139-I213 HydrophobicContact CZ2-CD1 4.37Å; F208-I213 HydrophobicContact CE2-CD1 4.49Å; F208-I213 HydrophobicContact CE2-CG1 4.22Å; F208-I213 HydrophobicContact CZ-CD1 3.99Å; F208-I213 HydrophobicContact CZ-CG1 4.17Å; S209-I213 PolarHBondContact O-N 2.89Å; R210-I213 PolarHBondContact O-N 3.28Å; I213-H215 VanDerWaalsContact C-N 3.26Å; I213-H215 PolarHBondContact O-N 2.96Å; I213-F216 PolarHBondContact O-N 2.79Å; I213-I218 HydrophobicContact CD1-CD1 4.25Å; I213-I218 HydrophobicContact CG1-CD1 3.67Å
214	H	66.3	Low	71.5	Confident	117 Å²	117	66.4 Å²	66.4	54%	0.542	34%	0.335	S	S	.	.	G	3₁₀ helix	trans	-67.9	-20.1	176.8	53.1	-90.9	0	0	0	114.3	R212	R212-H214 PolarHBondContact O-N 3.36Å
215	H	67.1	Low	72.4	Confident	56 Å²	56	64.2 Å²	64.2	26%	0.259	33%	0.325	S	S	.	.	G	3₁₀ helix	trans	-84.8	-9.8	175	-66.1	121.6	0	0	0	113.7	F155 R156 R212 I213	F155-H215 HydrophobicContact CD2-CB 4.03Å; F155-H215 HydrophobicContact CE1-CB 4.06Å; F155-H215 HydrophobicContact CE2-CB 3.38Å; F155-H215 HydrophobicContact CZ-CB 3.4Å; F155-H215 VanDerWaalsContact CZ-CB 3.4Å; F155-H215 AromaticContact CZ-CG 3.77Å; R156-H215 VanDerWaalsContact CB-O 3.24Å; R156-H215 WeakPolarHBondContact CB-O 3.35Å; R156-H215 VanDerWaalsContact CG-O 3.29Å; R156-H215 WeakPolarHBondContact CG-O 3.37Å; R156-H215 PolarHBondContact N-O 2.99Å; R212-H215 WeakPolarHBondContact O-CB 3.25Å; R212-H215 PolarHBondContact O-N 3.1Å; I213-H215 VanDerWaalsContact C-N 3.26Å; I213-H215 PolarHBondContact O-N 2.96Å
216	F	74.8	Confident	73.1	Confident	2 Å²	2	67.1 Å²	67.1	1%	0.009	34%	0.34	C	S	.	.	B	Isolated β-bridge	trans	-87.9	154	179.6	-67.9	-86.7	0	0	0	112.2	M153 F155 R156 A206 F208 R212 I213 I218 F224	M153-F216 HydrophobicContact CB-CD1 3.7Å; M153-F216 HydrophobicContact CB-CE1 3.84Å; F155-F216 HydrophobicContact CD2-CD1 4.31Å; F155-F216 AromaticContact CD2-CE1 3.97Å; F155-F216 HydrophobicContact CD2-CE1 3.97Å; F155-F216 HydrophobicContact CD2-CE2 4.45Å; F155-F216 HydrophobicContact CD2-CZ 4.05Å; F155-F216 HydrophobicContact CE2-CZ 4.4Å; R156-F216 PolarHBondContact NE-O 3.3Å; A206-F216 HydrophobicContact CB-CE1 4.18Å; A206-F216 HydrophobicContact CB-CZ 4.31Å; A206-F216 WeakPolarHBondContact O-CE1 3.47Å; F208-F216 HydrophobicContact CD2-CD1 4.47Å; F208-F216 HydrophobicContact CD2-CD2 4.25Å; F208-F216 HydrophobicContact CD2-CE2 4.31Å; F208-F216 HydrophobicContact CD2-CG 4.32Å; F208-F216 HydrophobicContact CD2-CZ 4.46Å; F208-F216 HydrophobicContact CE2-CD2 4.48Å; R212-F216 HydrophobicContact CB-CE2 4.3Å; R212-F216 WeakPolarHBondContact O-CD2 3.35Å; I213-F216 PolarHBondContact O-N 2.79Å; F216-I218 VanDerWaalsContact C-N 3.31Å; F216-I218 HydrophobicContact CB-CG1 4.34Å; F216-I218 PolarHBondContact O-N 3.07Å; F216-F224 HydrophobicContact CB-CE2 4.37Å; F216-F224 HydrophobicContact CB-CZ 4.28Å
217	I	69.3	Low	73.8	Confident	48 Å²	48	68.2 Å²	68.2	25%	0.246	34%	0.343	C	S	.	.			trans	-83.1	76.5	179.6	-53	-179.1	0	0	0	109.6	P154 R156 H219	P154-I217 HydrophobicContact CB-CD1 4.38Å; P154-I217 PolarHBondContact O-N 3.18Å; R156-I217 HydrophobicContact CG-CG1 3.73Å; I217-H219 VanDerWaalsContact CG2-NE2 3.3Å; I217-H219 WeakPolarHBondContact CG2-NE2 3.32Å
218	I	71.4	Confident	74.4	Confident	46 Å²	46	66 Å²	66	24%	0.236	33%	0.33	C	S	.	.			trans	-93.3	104.6	174.6	-55.1	171.6	0	0	0	109	W139 I213 F216 F224	W139-I218 HydrophobicContact CZ2-CD1 4.35Å; I213-I218 HydrophobicContact CD1-CD1 4.25Å; I213-I218 HydrophobicContact CG1-CD1 3.67Å; F216-I218 VanDerWaalsContact C-N 3.31Å; F216-I218 HydrophobicContact CB-CG1 4.34Å; F216-I218 PolarHBondContact O-N 3.07Å; I218-F224 HydrophobicContact CB-CD2 4.42Å; I218-F224 HydrophobicContact CG1-CD2 3.8Å; I218-F224 HydrophobicContact CG1-CE2 3.73Å; I218-F224 HydrophobicContact CG1-CG 4.34Å; I218-F224 HydrophobicContact CG1-CZ 4.21Å
219	H	66.3	Low	74.9	Confident	175 Å²	175	67.1 Å²	67.1	81%	0.81	34%	0.337	S	S	*	.	S	Bend	trans	-89.3	-45.7	170.6	-70.8	-78.2	0	0	0	111.9	I217	I217-H219 VanDerWaalsContact CG2-NE2 3.3Å; I217-H219 WeakPolarHBondContact CG2-NE2 3.32Å
220	N	74.4	Confident	75.7	Confident	78 Å²	78	67.1 Å²	67.1	42%	0.417	33%	0.334	S	S	.	.			trans	-139.2	142.6	172.8	-177.9	6.8	0	0	0	108.1	D222 F224	N220-D222 PolarHBondContact OD1-N 3.35Å; N220-F224 WeakPolarHBondContact O-CB 3.26Å; N220-F224 PolarHBondContact O-N 3.02Å
221	K	76.5	Confident	76.5	Confident	122 Å²	122	61.8 Å²	61.8	53%	0.53	32%	0.315	S	S	.	.	S	Bend	trans	-68	-42.9	-179.9	-65.9	-177.1	-177.7	179.5	0	111.5	W139 T223 F224	W139-K221 HydrophobicContact CD2-CB 4.23Å; W139-K221 HydrophobicContact CD2-CD 4.34Å; W139-K221 HydrophobicContact CD2-CG 4.41Å; W139-K221 HydrophobicContact CE3-CB 3.85Å; W139-K221 HydrophobicContact CE3-CG 4.43Å; W139-K221 HydrophobicContact CH2-CB 4.38Å; W139-K221 HydrophobicContact CH2-CG 4.43Å; W139-K221 HydrophobicContact CZ2-CG 4.39Å; W139-K221 HydrophobicContact CZ3-CB 3.93Å; W139-K221 HydrophobicContact CZ3-CG 4.45Å; W139-K221 WeakPolarHBondContact CZ3-O 3.05Å; K221-T223 VanDerWaalsContact C-N 3.29Å; K221-T223 PolarHBondContact O-N 2.99Å; K221-F224 PolarHBondContact O-N 3.01Å
222	D	70.8	Confident	77.6	Confident	117 Å²	117	59.5 Å²	59.5	63%	0.626	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.1	-28.4	-170.8	-56.7	-42.6	0	0	0	112.6	N220	N220-D222 PolarHBondContact OD1-N 3.35Å
223	T	75.4	Confident	78.5	Confident	99 Å²	99	55 Å²	55	61%	0.607	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100	-1.2	178.8	66.3	0	0	0	0	114.2	K221	K221-T223 VanDerWaalsContact C-N 3.29Å; K221-T223 PolarHBondContact O-N 2.99Å
224	F	81.4	Confident	79.4	Confident	21 Å²	21	52.2 Å²	52.2	9%	0.092	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.7	-38.9	-179.5	176.5	-98.7	0	0	0	112.2	W139 M153 F208 F216 I218 N220 K221	W139-F224 HydrophobicContact CH2-CB 4.15Å; W139-F224 AromaticContact CH2-CD1 3.65Å; W139-F224 HydrophobicContact CH2-CD1 3.65Å; W139-F224 HydrophobicContact CH2-CE1 4.35Å; W139-F224 HydrophobicContact CH2-CG 4.11Å; W139-F224 HydrophobicContact CZ3-CB 4.11Å; W139-F224 HydrophobicContact CZ3-CD1 4.02Å; W139-F224 HydrophobicContact CZ3-CG 4.45Å; M153-F224 HydrophobicContact CB-CZ 3.89Å; M153-F224 HydrophobicContact CE-CD1 4.44Å; M153-F224 HydrophobicContact CE-CE1 4.06Å; M153-F224 HydrophobicContact CG-CE1 4.03Å; M153-F224 HydrophobicContact CG-CZ 3.8Å; M153-F224 HydrophobicContact SD-CE1 4.01Å; M153-F224 HydrophobicContact SD-CE2 4.47Å; M153-F224 HydrophobicContact SD-CZ 3.92Å; F208-F224 HydrophobicContact CD2-CE1 4.08Å; F208-F224 HydrophobicContact CD2-CZ 4.13Å; F208-F224 AromaticContact CE2-CE1 3.89Å; F208-F224 HydrophobicContact CE2-CE1 3.89Å; F208-F224 HydrophobicContact CE2-CZ 4.11Å; F216-F224 HydrophobicContact CB-CE2 4.37Å; F216-F224 HydrophobicContact CB-CZ 4.28Å; I218-F224 HydrophobicContact CB-CD2 4.42Å; I218-F224 HydrophobicContact CG1-CD2 3.8Å; I218-F224 HydrophobicContact CG1-CE2 3.73Å; I218-F224 HydrophobicContact CG1-CG 4.34Å; I218-F224 HydrophobicContact CG1-CZ 4.21Å; N220-F224 WeakPolarHBondContact O-CB 3.26Å; N220-F224 PolarHBondContact O-N 3.02Å; K221-F224 PolarHBondContact O-N 3.01Å
225	F	82.8	Confident	80.5	Confident	1 Å²	1	47.7 Å²	47.7	0%	0.004	24%	0.24	C	C	.	.	S	Bend	trans	-93.1	110.6	170	-67.6	-76	0	0	0	109.5	W139 L142 A146 M153 T229 R230 I233	W139-F225 HydrophobicContact CE3-CD2 4.02Å; W139-F225 AromaticContact CE3-CE2 3.91Å; W139-F225 HydrophobicContact CE3-CE2 3.91Å; W139-F225 HydrophobicContact CH2-CD2 4.3Å; W139-F225 AromaticContact CH2-CE2 3.86Å; W139-F225 HydrophobicContact CH2-CE2 3.86Å; W139-F225 AromaticContact CZ3-CD2 3.55Å; W139-F225 HydrophobicContact CZ3-CD2 3.55Å; W139-F225 AromaticContact CZ3-CE2 3.47Å; W139-F225 HydrophobicContact CZ3-CE2 3.47Å; W139-F225 VanDerWaalsContact CZ3-CE2 3.47Å; L142-F225 HydrophobicContact CB-CD2 4Å; L142-F225 HydrophobicContact CB-CE2 3.79Å; L142-F225 HydrophobicContact CB-CZ 4.21Å; L142-F225 HydrophobicContact CD1-CD2 4.05Å; A146-F225 HydrophobicContact CB-CE1 3.64Å; A146-F225 HydrophobicContact CB-CZ 3.89Å; M153-F225 HydrophobicContact CE-CD1 3.37Å; M153-F225 HydrophobicContact CE-CE1 3.53Å; M153-F225 HydrophobicContact CE-CG 4.34Å; F225-T229 HydrophobicContact CD1-CG2 4.38Å; F225-R230 HydrophobicContact CB-CG 3.63Å; F225-R230 WeakPolarHBondContact O-CD 3.48Å; F225-I233 HydrophobicContact CD1-CD1 4.36Å; F225-I233 HydrophobicContact CE1-CD1 4.48Å
226	N	83.6	Confident	81.4	Confident	80 Å²	80	45.7 Å²	45.7	43%	0.428	23%	0.231	S	C	.	.			trans	-52.2	142.7	171.6	-70.5	-32.7	0	0	0	110.8	A228 T229 R230	N226-A228 PolarHBondContact O-N 3.15Å; N226-A228 VanDerWaalsContact O-N 3.09Å; N226-T229 WeakPolarHBondContact O-CA 3.48Å; N226-T229 WeakPolarHBondContact O-CB 3.37Å; N226-T229 PolarHBondContact O-N 3.32Å; N226-R230 PolarHBondContact O-N 3.39Å
227	N	84.5	Confident	82	Confident	43 Å²	43	45.7 Å²	45.7	23%	0.23	23%	0.231	C	C	.	.	H	α-helix	trans	-51.4	-38	178.9	-65.4	-23.3	0	0	0	112.8	T229 R230 S231 E269	N227-T229 PolarHBondContact O-N 3.45Å; N227-R230 PolarHBondContact O-N 2.77Å; N227-S231 PolarHBondContact O-N 3.44Å; N227-S231 PolarHBondContact O-OG 2.77Å; N227-E269 WeakPolarHBondContact CB-OE1 3.42Å; N227-E269 PolarHBondContact ND2-OE1 3.01Å
228	A	85.7	Confident	82.9	Confident	7 Å²	7	43.4 Å²	43.4	6%	0.058	22%	0.219	C	C	.	.	H	α-helix	trans	-59.7	-44.6	174.2	0	0	0	0	0	112.9	N226 R232 R311 P731	N226-A228 PolarHBondContact O-N 3.15Å; N226-A228 VanDerWaalsContact O-N 3.09Å; A228-R232 WeakPolarHBondContact O-CB 3.45Å; A228-R232 PolarHBondContact O-N 3.45Å; A228-R311 WeakPolarHBondContact CB-O 3.43Å; A228-P731 HydrophobicContact CB-CB 3.96Å; A228-P731 HydrophobicContact CB-CG 3.61Å
229	T	86.4	Confident	83.4	Confident	25 Å²	25	42.9 Å²	42.9	15%	0.153	22%	0.216	C	C	.	.	H	α-helix	trans	-67.7	-39.4	176.5	-46.9	0	0	0	0	111.8	I151 F225 N226 N227 R232 I233	I151-T229 HydrophobicContact CD1-CG2 3.99Å; I151-T229 HydrophobicContact CG2-CG2 4.15Å; F225-T229 HydrophobicContact CD1-CG2 4.38Å; N226-T229 WeakPolarHBondContact O-CA 3.48Å; N226-T229 WeakPolarHBondContact O-CB 3.37Å; N226-T229 PolarHBondContact O-N 3.32Å; N227-T229 PolarHBondContact O-N 3.45Å; T229-R232 PolarHBondContact O-N 3.29Å; T229-I233 HydrophobicContact CG2-CD1 4.23Å; T229-I233 WeakPolarHBondContact O-CG1 3.13Å; T229-I233 PolarHBondContact O-N 3.29Å
230	R	90.4	Very high	84	Confident	13 Å²	13	40.9 Å²	40.9	5%	0.049	20%	0.201	C	C	.	.	H	α-helix	trans	-60.6	-50.7	174.6	-63.1	176.6	58.3	95.7	21.1	111.3	D90 H136 A137 L142 F225 N226 N227 R232 I233 V234	D90-R230 WeakPolarHBondContact OD1-CB 3.38Å; D90-R230 IonicContact OD1-CZ 2.93Å; D90-R230 IonicContact OD1-NE 3.52Å; D90-R230 PolarHBondContact OD1-NE 3.38Å; D90-R230 IonicContact OD1-NH2 2.71Å; D90-R230 PolarHBondContact OD1-NH2 3.42Å; D90-R230 VanDerWaalsContact OD1-NH2 3.15Å; D90-R230 IonicContact OD2-CZ 3.12Å; D90-R230 IonicContact OD2-NE 3.85Å; D90-R230 IonicContact OD2-NH2 3.16Å; D90-R230 PolarHBondContact OD2-NH2 2.77Å; H136-R230 PolarHBondContact CE1-NH2 3.32Å; A137-R230 PolarHBondContact O-NH2 2.97Å; L142-R230 HydrophobicContact CD1-CG 4.33Å; L142-R230 HydrophobicContact CD2-CB 4.43Å; L142-R230 HydrophobicContact CD2-CG 4.32Å; F225-R230 HydrophobicContact CB-CG 3.63Å; F225-R230 WeakPolarHBondContact O-CD 3.48Å; N226-R230 PolarHBondContact O-N 3.39Å; N227-R230 PolarHBondContact O-N 2.77Å; R230-R232 VanDerWaalsContact C-N 3.31Å; R230-R232 PolarHBondContact O-N 3.46Å; R230-I233 PolarHBondContact O-N 3.13Å; R230-V234 PolarHBondContact O-N 3.19Å
231	S	91.1	Very high	84.5	Confident	4 Å²	4	37.5 Å²	37.5	3%	0.028	18%	0.183	C	C	.	.	H	α-helix	trans	-59.1	-38.3	175.3	-63.9	0	0	0	0	112.9	D90 N227 V234 H235 P266	D90-S231 PolarHBondContact O-OG 2.86Å; N227-S231 PolarHBondContact O-N 3.44Å; N227-S231 PolarHBondContact O-OG 2.77Å; S231-V234 PolarHBondContact O-N 2.8Å; S231-H235 WeakPolarHBondContact O-CB 3.33Å; S231-H235 PolarHBondContact O-N 3.41Å; S231-P266 WeakPolarHBondContact OG-CB 3.35Å
232	R	88.4	Confident	84.7	Confident	43 Å²	43	36.8 Å²	36.8	16%	0.162	18%	0.18	C	C	.	.	H	α-helix	trans	-64	-46	176.2	-171	177	75.2	129.9	-13	112.1	A228 T229 R230 H235 H236 P731 Q733	A228-R232 WeakPolarHBondContact O-CB 3.45Å; A228-R232 PolarHBondContact O-N 3.45Å; T229-R232 PolarHBondContact O-N 3.29Å; R230-R232 VanDerWaalsContact C-N 3.31Å; R230-R232 PolarHBondContact O-N 3.46Å; R232-H235 PolarHBondContact O-N 3.12Å; R232-H236 PolarHBondContact O-N 3.47Å; R232-P731 WeakPolarHBondContact CD-O 3.32Å; R232-Q733 VanDerWaalsContact CZ-OE1 3.31Å
233	I	89.5	Confident	85	Confident	0 Å²	0	31.5 Å²	31.5	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-59.9	-47.4	176.2	-68.6	161	0	0	0	110.4	L142 Y145 M149 I151 F225 T229 R230 H235 H236 I237	L142-I233 HydrophobicContact CD2-CB 4.2Å; L142-I233 HydrophobicContact CD2-CD1 3.7Å; L142-I233 HydrophobicContact CD2-CG2 4.06Å; Y145-I233 HydrophobicContact CG-CG2 4.36Å; M149-I233 HydrophobicContact SD-CG1 4.18Å; I151-I233 HydrophobicContact CD1-CD1 3.78Å; I151-I233 HydrophobicContact CD1-CG1 3.78Å; F225-I233 HydrophobicContact CD1-CD1 4.36Å; F225-I233 HydrophobicContact CE1-CD1 4.48Å; T229-I233 HydrophobicContact CG2-CD1 4.23Å; T229-I233 WeakPolarHBondContact O-CG1 3.13Å; T229-I233 PolarHBondContact O-N 3.29Å; R230-I233 PolarHBondContact O-N 3.13Å; I233-H235 VanDerWaalsContact C-N 3.33Å; I233-H235 PolarHBondContact O-N 2.97Å; I233-H236 PolarHBondContact O-N 2.86Å; I233-I237 HydrophobicContact CG2-CD1 4.12Å; I233-I237 WeakPolarHBondContact O-CG1 3.23Å; I233-I237 PolarHBondContact O-N 3.48Å; I233-I237 VanDerWaalsContact O-N 3.09Å
234	V	91.8	Very high	84.9	Confident	0 Å²	0	29.9 Å²	29.9	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-62.4	-39.9	178.8	175.8	0	0	0	0	111.7	D90 Y91 L117 L135 A137 R230 S231 I237 L238	D90-V234 HydrophobicContact CB-CG2 3.88Å; Y91-V234 HydrophobicContact CG-CG1 4.06Å; L117-V234 HydrophobicContact CD1-CG1 4.37Å; L117-V234 HydrophobicContact CD2-CG2 4.26Å; L135-V234 HydrophobicContact CB-CG1 4.44Å; L135-V234 HydrophobicContact CD1-CG1 4.38Å; A137-V234 HydrophobicContact CB-CG2 3.72Å; R230-V234 PolarHBondContact O-N 3.19Å; S231-V234 PolarHBondContact O-N 2.8Å; V234-I237 PolarHBondContact O-N 2.98Å; V234-L238 HydrophobicContact CG1-CD1 3.95Å; V234-L238 HydrophobicContact CG1-CG 4.39Å; V234-L238 VanDerWaalsContact O-CG 3.29Å; V234-L238 WeakPolarHBondContact O-CG 3.4Å; V234-L238 PolarHBondContact O-N 3.29Å
235	H	88.9	Confident	84.1	Confident	21 Å²	21	37.2 Å²	37.2	10%	0.097	17%	0.172	C	C	.	.	H	α-helix	trans	-64.8	-42.9	176.6	-170.3	81.8	0	0	0	112.7	Y91 S231 R232 I233 I237 L238 Q239 L730	Y91-H235 HydrophobicContact CE2-CB 4.13Å; Y91-H235 AromaticContact CE2-ND1 3.91Å; Y91-H235 AromaticContact CZ-ND1 3.55Å; Y91-H235 PolarHBondContact OH-ND1 3.07Å; S231-H235 WeakPolarHBondContact O-CB 3.33Å; S231-H235 PolarHBondContact O-N 3.41Å; R232-H235 PolarHBondContact O-N 3.12Å; I233-H235 VanDerWaalsContact C-N 3.33Å; I233-H235 PolarHBondContact O-N 2.97Å; H235-I237 VanDerWaalsContact C-N 3.3Å; H235-I237 PolarHBondContact O-N 3.34Å; H235-L238 PolarHBondContact O-N 3.22Å; H235-L238 VanDerWaalsContact O-N 3.11Å; H235-Q239 PolarHBondContact CD2-NE2 3.05Å; H235-Q239 VanDerWaalsContact CD2-NE2 3.29Å; H235-Q239 PolarHBondContact NE2-NE2 3.47Å; H235-Q239 WeakPolarHBondContact O-CG 3.3Å; H235-Q239 PolarHBondContact O-N 3.34Å; H235-L730 HydrophobicContact CB-CD1 3.62Å; H235-L730 HydrophobicContact CB-CD2 3.99Å; H235-L730 HydrophobicContact CB-CG 4.48Å; H235-L730 WeakPolarHBondContact CD2-CD2 3.28Å
236	H	85.1	Confident	83	Confident	15 Å²	15	38.9 Å²	38.9	7%	0.069	19%	0.189	C	C	.	.	H	α-helix	trans	-58.9	-39.6	175.2	173.3	96.2	0	0	0	112.1	M149 R232 I233 Q239 R240 E437	M149-H236 HydrophobicContact CE-CB 3.95Å; M149-H236 HydrophobicContact SD-CB 4Å; R232-H236 PolarHBondContact O-N 3.47Å; I233-H236 PolarHBondContact O-N 2.86Å; H236-Q239 PolarHBondContact O-N 3.22Å; H236-R240 PolarHBondContact CE1-NE 3.01Å; H236-R240 PolarHBondContact CE1-NH2 3.02Å; H236-R240 PolarHBondContact O-N 2.96Å; H236-E437 IonicContact CE1-OE1 3.65Å; H236-E437 PolarHBondContact CE1-OE1 2.77Å; H236-E437 IonicContact ND1-OE1 2.77Å; H236-E437 PolarHBondContact ND1-OE1 3.48Å; H236-E437 IonicContact ND1-OE2 3.87Å
237	I	88.5	Confident	81.8	Confident	2 Å²	2	42.8 Å²	42.8	1%	0.01	20%	0.202	C	C	.	.	H	α-helix	trans	-61.1	-51.1	171.6	-61.3	165	0	0	0	110.2	E115 L117 V141 Y145 I233 V234 H235 Q239 R240 V241	E115-I237 HydrophobicContact CB-CG2 4.38Å; L117-I237 HydrophobicContact CD1-CB 4.28Å; L117-I237 HydrophobicContact CD1-CD1 4.22Å; L117-I237 HydrophobicContact CD1-CG2 3.77Å; L117-I237 HydrophobicContact CD2-CD1 4.02Å; L117-I237 HydrophobicContact CG-CD1 4.31Å; V141-I237 HydrophobicContact CG1-CD1 3.95Å; Y145-I237 HydrophobicContact CD1-CG1 4Å; Y145-I237 HydrophobicContact CD2-CD1 3.56Å; Y145-I237 HydrophobicContact CD2-CG1 3.86Å; Y145-I237 HydrophobicContact CE1-CG1 3.86Å; Y145-I237 HydrophobicContact CE2-CD1 3.6Å; Y145-I237 HydrophobicContact CE2-CG1 3.72Å; Y145-I237 HydrophobicContact CG-CD1 4.07Å; Y145-I237 HydrophobicContact CG-CG1 4Å; I233-I237 HydrophobicContact CG2-CD1 4.12Å; I233-I237 WeakPolarHBondContact O-CG1 3.23Å; I233-I237 PolarHBondContact O-N 3.48Å; I233-I237 VanDerWaalsContact O-N 3.09Å; V234-I237 PolarHBondContact O-N 2.98Å; H235-I237 VanDerWaalsContact C-N 3.3Å; H235-I237 PolarHBondContact O-N 3.34Å; I237-Q239 VanDerWaalsContact C-N 3.26Å; I237-Q239 PolarHBondContact O-N 3.04Å; I237-R240 PolarHBondContact O-N 3.19Å; I237-V241 HydrophobicContact CG2-CG2 3.98Å; I237-V241 WeakPolarHBondContact O-CG2 3.33Å; I237-V241 PolarHBondContact O-N 3.36Å
238	L	88.1	Confident	80.6	Confident	0 Å²	0	43.6 Å²	43.6	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-62.9	-26.6	-178.3	-68.3	169.8	0	0	0	114.1	Y91 L93 F108 I112 L135 V234 H235 L252	Y91-L238 HydrophobicContact CD1-CD1 3.49Å; Y91-L238 VanDerWaalsContact CD1-CD1 3.49Å; Y91-L238 HydrophobicContact CE1-CD1 3.67Å; Y91-L238 HydrophobicContact CG-CD1 4.18Å; L93-L238 HydrophobicContact CD1-CD2 4.22Å; L93-L238 HydrophobicContact CD2-CD1 4.39Å; F108-L238 HydrophobicContact CE1-CD2 4.19Å; F108-L238 HydrophobicContact CZ-CD2 4.17Å; I112-L238 HydrophobicContact CD1-CD2 3.5Å; I112-L238 HydrophobicContact CG1-CD2 3.88Å; L135-L238 HydrophobicContact CD1-CD1 3.78Å; L135-L238 HydrophobicContact CD1-CD2 3.95Å; L135-L238 HydrophobicContact CD1-CG 4.37Å; V234-L238 HydrophobicContact CG1-CD1 3.95Å; V234-L238 HydrophobicContact CG1-CG 4.39Å; V234-L238 VanDerWaalsContact O-CG 3.29Å; V234-L238 WeakPolarHBondContact O-CG 3.4Å; V234-L238 PolarHBondContact O-N 3.29Å; H235-L238 PolarHBondContact O-N 3.22Å; H235-L238 VanDerWaalsContact O-N 3.11Å; L238-L252 HydrophobicContact CB-CB 4.31Å; L238-L252 HydrophobicContact CB-CD2 4.03Å; L238-L252 HydrophobicContact CD1-CD2 4.27Å; L238-L252 WeakPolarHBondContact O-CB 3.2Å; L238-L252 PolarHBondContact O-N 3.09Å; L238-L252 VanDerWaalsContact O-N 3.08Å
239	Q	82.6	Confident	79.8	Confident	34 Å²	34	46.7 Å²	46.7	16%	0.159	22%	0.219	C	C	.	.	H	α-helix	trans	-72.2	-29.4	171.6	-72.2	-166.3	7	0	0	113.3	H235 H236 I237 G251	H235-Q239 PolarHBondContact CD2-NE2 3.05Å; H235-Q239 VanDerWaalsContact CD2-NE2 3.29Å; H235-Q239 PolarHBondContact NE2-NE2 3.47Å; H235-Q239 WeakPolarHBondContact O-CG 3.3Å; H235-Q239 PolarHBondContact O-N 3.34Å; H236-Q239 PolarHBondContact O-N 3.22Å; I237-Q239 VanDerWaalsContact C-N 3.26Å; I237-Q239 PolarHBondContact O-N 3.04Å; Q239-G251 WeakPolarHBondContact O-CA 3.45Å
240	R	78.4	Confident	79	Confident	133 Å²	133	47.9 Å²	47.9	50%	0.502	22%	0.223	S	C	.	.	H	α-helix	trans	-98.6	-18.9	-173.9	-64.7	-178.2	179.7	-141.9	1.8	113.9	H236 I237 E437	H236-R240 PolarHBondContact CE1-NE 3.01Å; H236-R240 PolarHBondContact CE1-NH2 3.02Å; H236-R240 PolarHBondContact O-N 2.96Å; I237-R240 PolarHBondContact O-N 3.19Å; R240-E437 IonicContact CZ-OE1 3.86Å; R240-E437 IonicContact NE-OE1 3.37Å; R240-E437 PolarHBondContact NE-OE1 3.11Å; R240-E437 IonicContact NH2-OE1 3.32Å; R240-E437 PolarHBondContact NH2-OE1 2.93Å
241	V	84.4	Confident	78.2	Confident	7 Å²	7	47.4 Å²	47.4	4%	0.042	22%	0.222	C	C	.	.			trans	-61.8	136	175.9	171.3	0	0	0	0	111.9	F108 N111 I112 E115 I237 G251	F108-V241 HydrophobicContact CD2-CB 4.26Å; F108-V241 HydrophobicContact CD2-CG1 3.59Å; F108-V241 HydrophobicContact CE2-CB 3.77Å; F108-V241 HydrophobicContact CE2-CG1 3.63Å; F108-V241 HydrophobicContact CG-CG1 4.44Å; F108-V241 HydrophobicContact CZ-CB 4.47Å; N111-V241 HydrophobicContact CB-CG1 3.61Å; I112-V241 HydrophobicContact CG1-CG1 4.32Å; I112-V241 HydrophobicContact CG1-CG2 4.48Å; E115-V241 HydrophobicContact CG-CG2 4.34Å; I237-V241 HydrophobicContact CG2-CG2 3.98Å; I237-V241 WeakPolarHBondContact O-CG2 3.33Å; I237-V241 PolarHBondContact O-N 3.36Å; V241-G251 PolarHBondContact O-N 2.81Å
242	K	80.7	Confident	77.7	Confident	107 Å²	107	47.2 Å²	47.2	47%	0.465	22%	0.221	S	C	.	.	B	Isolated β-bridge	trans	-77.8	138.4	174	-75.5	159.5	-175.5	167.7	0	111.1	N111 M250	N111-K242 PolarHBondContact ND2-O 3.11Å; K242-M250 HydrophobicContact CG-CG 3.63Å; K242-M250 HydrophobicContact CG-SD 4.09Å
243	Y	77.6	Confident	77.4	Confident	7 Å²	7	48.8 Å²	48.8	3%	0.027	23%	0.232	C	C	.	.	S	Bend	trans	-105.4	-8.7	174.2	66.5	-103.2	0	0	0	113.4	K249 R254 L255	Y243-K249 WeakPolarHBondContact CD1-O 3.23Å; Y243-K249 HydrophobicContact CE1-CB 4.27Å; Y243-K249 HydrophobicContact CE2-CB 3.96Å; Y243-K249 HydrophobicContact CE2-CD 4.44Å; Y243-K249 HydrophobicContact CE2-CG 4.48Å; Y243-K249 PolarHBondContact N-O 3.28Å; Y243-R254 HydrophobicContact CE1-CB 4.43Å; Y243-R254 WeakPolarHBondContact OH-CD 3.49Å; Y243-R254 PolarHBondContact OH-NH1 3.3Å; Y243-L255 HydrophobicContact CD1-CD2 4.08Å; Y243-L255 HydrophobicContact CD1-CG 4.15Å; Y243-L255 HydrophobicContact CD2-CD2 4.1Å; Y243-L255 HydrophobicContact CG-CD1 4.42Å; Y243-L255 HydrophobicContact CG-CD2 3.79Å; Y243-L255 HydrophobicContact CG-CG 4.25Å
244	E	73.9	Confident	76.9	Confident	64 Å²	64	54.4 Å²	54.4	30%	0.299	25%	0.254	S	S	.	.	S	Bend	trans	-155	157.2	179.2	-144.1	-170.2	122.2	0	0	109.2	G246 K249	E244-G246 PolarHBondContact O-N 3.4Å; E244-G246 VanDerWaalsContact O-N 3.07Å; E244-K249 HydrophobicContact CB-CB 4.02Å; E244-K249 HydrophobicContact CB-CD 3.7Å; E244-K249 VanDerWaalsContact CD-CD 3.49Å; E244-K249 HydrophobicContact CG-CD 4.16Å; E244-K249 IonicContact OE1-NZ 3.8Å; E244-K249 PolarHBondContact OE1-NZ 2.89Å; E244-K249 VanDerWaalsContact OE2-CD 3.27Å; E244-K249 WeakPolarHBondContact OE2-CD 3.13Å; E244-K249 IonicContact OE2-NZ 2.9Å; E244-K249 PolarHBondContact OE2-NZ 2.72Å
245	E	63.4	Low	76.4	Confident	176 Å²	176	54.4 Å²	54.4	82%	0.822	25%	0.254	S	S	*	.	S	Bend	trans	-76.9	97.4	-179	-67.4	-173.6	-179.3	0	0	111.6
246	G	60.7	Low	76.2	Confident	35 Å²	35	55.6 Å²	55.6	36%	0.361	26%	0.261	S	S	.	.	S	Bend	trans	174.2	156.1	173.7	0	0	0	0	0	112.8	E244 N248	E244-G246 PolarHBondContact O-N 3.4Å; E244-G246 VanDerWaalsContact O-N 3.07Å; G246-N248 PolarHBondContact O-N 2.94Å
247	K	57.3	Low	76	Confident	162 Å²	162	60.2 Å²	60.2	70%	0.704	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.3	-28.1	-177.2	-72.1	-167.5	175.3	-167.9	0	113.9
248	N	59.9	Low	75.7	Confident	60 Å²	60	63.1 Å²	63.1	32%	0.321	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-112.8	24.1	-167.1	-53.1	38.5	0	0	0	113	G246 R254 A444	G246-N248 PolarHBondContact O-N 2.94Å; N248-R254 PolarHBondContact O-NH1 3.29Å; N248-R254 VanDerWaalsContact O-NH1 3.17Å; N248-A444 HydrophobicContact CB-CB 4.14Å; N248-A444 PolarHBondContact ND2-O 3.46Å
249	K	68.9	Low	75.4	Confident	73 Å²	73	69.2 Å²	69.2	32%	0.317	34%	0.338	S	S	.	.			trans	-130	61.1	-172.5	-64	-167.6	176.9	-170.1	0	112.5	Y243 E244	Y243-K249 WeakPolarHBondContact CD1-O 3.23Å; Y243-K249 HydrophobicContact CE1-CB 4.27Å; Y243-K249 HydrophobicContact CE2-CB 3.96Å; Y243-K249 HydrophobicContact CE2-CD 4.44Å; Y243-K249 HydrophobicContact CE2-CG 4.48Å; Y243-K249 PolarHBondContact N-O 3.28Å; E244-K249 HydrophobicContact CB-CB 4.02Å; E244-K249 HydrophobicContact CB-CD 3.7Å; E244-K249 VanDerWaalsContact CD-CD 3.49Å; E244-K249 HydrophobicContact CG-CD 4.16Å; E244-K249 IonicContact OE1-NZ 3.8Å; E244-K249 PolarHBondContact OE1-NZ 2.89Å; E244-K249 VanDerWaalsContact OE2-CD 3.27Å; E244-K249 WeakPolarHBondContact OE2-CD 3.13Å; E244-K249 IonicContact OE2-NZ 2.9Å; E244-K249 PolarHBondContact OE2-NZ 2.72Å
250	M	69.9	Low	75.6	Confident	49 Å²	49	67.7 Å²	67.7	24%	0.241	33%	0.331	C	S	.	.	B	Isolated β-bridge	trans	-118.7	153.9	-176	-58.3	-171	-65.2	0	0	111.9	K242	K242-M250 HydrophobicContact CG-CG 3.63Å; K242-M250 HydrophobicContact CG-SD 4.09Å
251	G	72.3	Confident	76.1	Confident	3 Å²	3	61.4 Å²	61.4	3%	0.031	31%	0.307	C	S	.	.			trans	91.4	135.1	158.9	0	0	0	0	0	118	Q239 V241 N253 R254	Q239-G251 WeakPolarHBondContact O-CA 3.45Å; V241-G251 PolarHBondContact O-N 2.81Å; G251-N253 VanDerWaalsContact C-N 3.31Å; G251-N253 PolarHBondContact O-N 3.16Å; G251-R254 PolarHBondContact O-N 3.46Å
252	L	82.5	Confident	76.2	Confident	0 Å²	0	64.7 Å²	64.7	0%	0	33%	0.325	C	S	.	.	H	α-helix	trans	-50	-42.3	178.3	175.8	61.2	0	0	0	114.4	Y91 L93 F108 L238 R254 L255 L256 Y261 A264	Y91-L252 HydrophobicContact CE1-CD2 4.45Å; L93-L252 HydrophobicContact CD2-CD1 3.73Å; L93-L252 HydrophobicContact CD2-CD2 3.9Å; L93-L252 HydrophobicContact CD2-CG 4.49Å; F108-L252 HydrophobicContact CE1-CD1 4.31Å; F108-L252 HydrophobicContact CZ-CB 4.17Å; F108-L252 HydrophobicContact CZ-CD1 4.46Å; L238-L252 HydrophobicContact CB-CB 4.31Å; L238-L252 HydrophobicContact CB-CD2 4.03Å; L238-L252 HydrophobicContact CD1-CD2 4.27Å; L238-L252 WeakPolarHBondContact O-CB 3.2Å; L238-L252 PolarHBondContact O-N 3.09Å; L238-L252 VanDerWaalsContact O-N 3.08Å; L252-R254 PolarHBondContact O-N 3.25Å; L252-R254 VanDerWaalsContact O-N 3.11Å; L252-L255 WeakPolarHBondContact O-CA 3.48Å; L252-L255 WeakPolarHBondContact O-CB 3.48Å; L252-L255 PolarHBondContact O-N 3.3Å; L252-L256 HydrophobicContact CD1-CD1 4.48Å; L252-L256 HydrophobicContact CD1-CG 4.29Å; L252-L256 HydrophobicContact CG-CD1 4.11Å; L252-L256 HydrophobicContact CG-CG 4.39Å; L252-L256 PolarHBondContact O-N 3.12Å; L252-Y261 HydrophobicContact CD1-CD2 4.17Å; L252-A264 HydrophobicContact CD1-CB 4.47Å; L252-A264 HydrophobicContact CD2-CB 3.81Å; L252-A264 HydrophobicContact CG-CB 4.45Å
253	N	80.4	Confident	76.5	Confident	77 Å²	77	59.9 Å²	59.9	41%	0.412	31%	0.305	S	S	.	.	H	α-helix	trans	-57.9	-33.4	-173.6	-66.6	-1.3	0	0	0	112.4	G251 L256 T257	G251-N253 VanDerWaalsContact C-N 3.31Å; G251-N253 PolarHBondContact O-N 3.16Å; N253-L256 PolarHBondContact O-N 2.7Å; N253-T257 PolarHBondContact O-N 2.86Å; N253-T257 PolarHBondContact O-OG1 3.09Å
254	R	78.9	Confident	77.2	Confident	118 Å²	118	60.7 Å²	60.7	45%	0.445	31%	0.313	S	S	.	.	H	α-helix	trans	-76.2	-26.8	177	-164.9	169.8	-175.5	-175.8	5.3	113	Y243 N248 G251 L252 N258	Y243-R254 HydrophobicContact CE1-CB 4.43Å; Y243-R254 WeakPolarHBondContact OH-CD 3.49Å; Y243-R254 PolarHBondContact OH-NH1 3.3Å; N248-R254 PolarHBondContact O-NH1 3.29Å; N248-R254 VanDerWaalsContact O-NH1 3.17Å; G251-R254 PolarHBondContact O-N 3.46Å; L252-R254 PolarHBondContact O-N 3.25Å; L252-R254 VanDerWaalsContact O-N 3.11Å; R254-N258 VanDerWaalsContact O-CB 3.25Å; R254-N258 WeakPolarHBondContact O-CB 3.25Å; R254-N258 PolarHBondContact O-N 2.99Å; R254-N258 VanDerWaalsContact O-N 3.08Å; R254-N258 PolarHBondContact O-ND2 3.04Å
255	L	81.5	Confident	78.1	Confident	0 Å²	0	58 Å²	58	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-74.5	-29	172.3	-62.7	175.9	0	0	0	112.1	F108 Y243 L252 S260 Y261	F108-L255 HydrophobicContact CB-CD1 4.12Å; F108-L255 HydrophobicContact CD1-CD1 3.68Å; F108-L255 HydrophobicContact CD2-CD1 3.73Å; F108-L255 HydrophobicContact CE1-CD1 3.89Å; F108-L255 HydrophobicContact CE2-CD1 3.95Å; F108-L255 HydrophobicContact CG-CD1 3.58Å; F108-L255 HydrophobicContact CZ-CD1 4.03Å; Y243-L255 HydrophobicContact CD1-CD2 4.08Å; Y243-L255 HydrophobicContact CD1-CG 4.15Å; Y243-L255 HydrophobicContact CD2-CD2 4.1Å; Y243-L255 HydrophobicContact CG-CD1 4.42Å; Y243-L255 HydrophobicContact CG-CD2 3.79Å; Y243-L255 HydrophobicContact CG-CG 4.25Å; L252-L255 WeakPolarHBondContact O-CA 3.48Å; L252-L255 WeakPolarHBondContact O-CB 3.48Å; L252-L255 PolarHBondContact O-N 3.3Å; L255-S260 WeakPolarHBondContact O-CB 3.45Å; L255-S260 PolarHBondContact O-N 2.92Å; L255-Y261 HydrophobicContact CB-CD2 3.92Å; L255-Y261 HydrophobicContact CD1-CD2 4.1Å; L255-Y261 HydrophobicContact CD1-CE2 3.94Å; L255-Y261 PolarHBondContact O-N 2.81Å
256	L	84.5	Confident	79.4	Confident	46 Å²	46	49.8 Å²	49.8	24%	0.241	26%	0.262	C	S	.	.	H	α-helix	trans	-69.6	-51.1	169.5	-65.5	167.9	0	0	0	110.7	L252 N253 N258 N259 A264	L252-L256 HydrophobicContact CD1-CD1 4.48Å; L252-L256 HydrophobicContact CD1-CG 4.29Å; L252-L256 HydrophobicContact CG-CD1 4.11Å; L252-L256 HydrophobicContact CG-CG 4.39Å; L252-L256 PolarHBondContact O-N 3.12Å; N253-L256 PolarHBondContact O-N 2.7Å; L256-N258 PolarHBondContact O-N 3.46Å; L256-N259 PolarHBondContact O-N 3.3Å; L256-A264 HydrophobicContact CD1-CB 4.02Å; L256-A264 HydrophobicContact CD2-CB 4.13Å
257	T	81.4	Confident	80.8	Confident	112 Å²	112	48.4 Å²	48.4	69%	0.687	25%	0.247	S	C	*	.	H	α-helix	trans	-59.8	-30.8	177.2	-46	0	0	0	0	113.2	N253 N259	N253-T257 PolarHBondContact O-N 2.86Å; N253-T257 PolarHBondContact O-OG1 3.09Å; T257-N259 VanDerWaalsContact C-N 3.27Å; T257-N259 PolarHBondContact O-N 3.15Å
258	N	82.1	Confident	82.4	Confident	62 Å²	62	40.8 Å²	40.8	33%	0.332	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.7	5	176.7	-71.8	-11.8	0	0	0	114	Q101 R254 L256 S260	Q101-N258 PolarHBondContact NE2-O 2.78Å; R254-N258 VanDerWaalsContact O-CB 3.25Å; R254-N258 WeakPolarHBondContact O-CB 3.25Å; R254-N258 PolarHBondContact O-N 2.99Å; R254-N258 VanDerWaalsContact O-N 3.08Å; R254-N258 PolarHBondContact O-ND2 3.04Å; L256-N258 PolarHBondContact O-N 3.46Å; N258-S260 PolarHBondContact O-N 3.37Å
259	N	82.6	Confident	83.4	Confident	129 Å²	129	38.8 Å²	38.8	69%	0.69	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.1	29.9	-174.5	-59.2	-40.3	0	0	0	114	L256 T257	L256-N259 PolarHBondContact O-N 3.3Å; T257-N259 VanDerWaalsContact C-N 3.27Å; T257-N259 PolarHBondContact O-N 3.15Å
260	S	85.9	Confident	84	Confident	1 Å²	1	35.7 Å²	35.7	1%	0.007	19%	0.191	C	C	.	.	S	Bend	trans	-79.8	-45.1	173.3	-57	0	0	0	0	110.2	R105 L255 N258	R105-S260 WeakPolarHBondContact CD-O 3.42Å; R105-S260 PolarHBondContact NH1-O 2.82Å; L255-S260 WeakPolarHBondContact O-CB 3.45Å; L255-S260 PolarHBondContact O-N 2.92Å; N258-S260 PolarHBondContact O-N 3.37Å
261	Y	88.9	Confident	84.5	Confident	1 Å²	1	35.1 Å²	35.1	0%	0.004	19%	0.191	C	C	.	.	S	Bend	trans	-103.6	145.9	160	-70.8	-76.8	0	0	0	108.5	L93 Y95 R105 F108 L133 L252 L255	L93-Y261 HydrophobicContact CB-CD1 3.8Å; L93-Y261 HydrophobicContact CB-CE1 3.79Å; L93-Y261 HydrophobicContact CD1-CD1 4.49Å; L93-Y261 HydrophobicContact CD1-CE1 4.05Å; L93-Y261 HydrophobicContact CD1-CE2 4.38Å; Y95-Y261 HydrophobicContact CD1-CD1 4.3Å; Y95-Y261 AromaticContact CD1-CE1 3.86Å; Y95-Y261 HydrophobicContact CD1-CE1 3.86Å; Y95-Y261 HydrophobicContact CG-CD1 4.47Å; Y95-Y261 HydrophobicContact CG-CE1 4.34Å; R105-Y261 HydrophobicContact CG-CE2 4.13Å; F108-Y261 AromaticContact CD1-CE2 3.73Å; F108-Y261 HydrophobicContact CD1-CE2 3.73Å; F108-Y261 HydrophobicContact CE1-CE2 4.03Å; L133-Y261 HydrophobicContact CD2-CE1 4.35Å; L252-Y261 HydrophobicContact CD1-CD2 4.17Å; L255-Y261 HydrophobicContact CB-CD2 3.92Å; L255-Y261 HydrophobicContact CD1-CD2 4.1Å; L255-Y261 HydrophobicContact CD1-CE2 3.94Å; L255-Y261 PolarHBondContact O-N 2.81Å
262	D	86.2	Confident	84.8	Confident	77 Å²	77	38.1 Å²	38.1	41%	0.412	20%	0.202	S	C	.	.	S	Bend	trans	-91.5	-41.4	-179.7	-179.8	104.2	0	0	0	110.8	V94 R96 Y669	V94-D262 PolarHBondContact O-N 3.23Å; R96-D262 IonicContact NH2-OD1 3.47Å; D262-Y669 PolarHBondContact OD2-OH 2.87Å
263	A	88.4	Confident	84.4	Confident	6 Å²	6	44 Å²	44	5%	0.05	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	155.7	177.6	0	0	0	0	0	112.4	V94 F265 Y669	V94-A263 HydrophobicContact CB-CB 4.11Å; V94-A263 HydrophobicContact CG2-CB 4.06Å; V94-A263 PolarHBondContact N-O 2.98Å; V94-A263 PolarHBondContact O-N 3.48Å; A263-F265 HydrophobicContact CB-CD1 4.09Å; A263-F265 HydrophobicContact CB-CE1 4.02Å; A263-Y669 HydrophobicContact CB-CD2 4.38Å; A263-Y669 HydrophobicContact CB-CE2 4.23Å
264	A	91.2	Very high	83.9	Confident	24 Å²	24	41 Å²	41	20%	0.198	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	122.4	175.2	0	0	0	0	0	109.4	Y91 I92 L93 L252 L256	Y91-A264 HydrophobicContact CE1-CB 4.02Å; I92-A264 WeakPolarHBondContact O-CA 3.46Å; L93-A264 HydrophobicContact CD2-CB 3.58Å; L252-A264 HydrophobicContact CD1-CB 4.47Å; L252-A264 HydrophobicContact CD2-CB 3.81Å; L252-A264 HydrophobicContact CG-CB 4.45Å; L256-A264 HydrophobicContact CD1-CB 4.02Å; L256-A264 HydrophobicContact CD2-CB 4.13Å
265	F	92.2	Very high	83.1	Confident	7 Å²	7	45.2 Å²	45.2	3%	0.031	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.1	153	-176.1	55.2	-85	0	0	0	113.4	I92 V94 A263 L267 D668 Y669	I92-F265 HydrophobicContact CG2-CZ 4.42Å; I92-F265 PolarHBondContact N-O 2.84Å; I92-F265 PolarHBondContact O-N 3.03Å; V94-F265 HydrophobicContact CG2-CE1 3.72Å; V94-F265 HydrophobicContact CG2-CZ 4.26Å; A263-F265 HydrophobicContact CB-CD1 4.09Å; A263-F265 HydrophobicContact CB-CE1 4.02Å; F265-L267 HydrophobicContact CE2-CD2 4.38Å; F265-D668 HydrophobicContact CE2-CB 4.06Å; F265-Y669 HydrophobicContact CE1-CD2 4.18Å; F265-Y669 HydrophobicContact CZ-CD2 4.47Å
266	P	92.4	Very high	82.3	Confident	3 Å²	3	48.2 Å²	48.2	2%	0.019	25%	0.252	C	S	.	.	P	Polyproline II helix	trans	-78.3	153.5	166.2	33.8	-33.7	0	0	0	111.5	Y91 S231 R728	Y91-P266 HydrophobicContact CD2-CB 4.22Å; Y91-P266 HydrophobicContact CE2-CB 4.43Å; S231-P266 WeakPolarHBondContact OG-CB 3.35Å; P266-R728 WeakPolarHBondContact CD-O 3.43Å; P266-R728 HydrophobicContact CG-CB 4.23Å; P266-R728 HydrophobicContact CG-CG 4.23Å; P266-R728 WeakPolarHBondContact CG-O 3.43Å
267	L	90.1	Very high	81.2	Confident	7 Å²	7	48.6 Å²	48.6	4%	0.037	26%	0.258	C	S	.	.	P	Polyproline II helix	trans	-78.5	149.4	177.9	-77	-173	0	0	0	113.5	L80 I89 I92 F265 W665 R728	L80-L267 HydrophobicContact CD2-CD1 4.39Å; I89-L267 HydrophobicContact CB-CD1 3.86Å; I89-L267 HydrophobicContact CD1-CD1 4.02Å; I89-L267 HydrophobicContact CG2-CD1 3.77Å; I89-L267 HydrophobicContact CG2-CG 4.26Å; I92-L267 HydrophobicContact CD1-CD1 4.07Å; I92-L267 HydrophobicContact CD1-CD2 3.58Å; I92-L267 HydrophobicContact CD1-CG 3.8Å; I92-L267 HydrophobicContact CG1-CD2 4.44Å; I92-L267 HydrophobicContact CG1-CG 4.31Å; F265-L267 HydrophobicContact CE2-CD2 4.38Å; L267-W665 HydrophobicContact CD2-CB 3.98Å; L267-R728 WeakPolarHBondContact O-CD 3.33Å; L267-R728 PolarHBondContact O-NH1 3.23Å
268	H	89.8	Confident	80.3	Confident	1 Å²	1	44.8 Å²	44.8	1%	0.005	23%	0.234	C	C	.	.	P	Polyproline II helix	trans	-75.4	146	154.7	-71	-84.7	0	0	0	111.2	L80 G270 R287 Y312 Q664 D668 W726 R728	L80-H268 WeakPolarHBondContact CD2-O 3.49Å; H268-G270 PolarHBondContact O-N 3.09Å; H268-R287 PolarHBondContact CD2-NH1 3.37Å; H268-R287 PolarHBondContact CD2-NH2 3.03Å; H268-R287 VanDerWaalsContact CG-NH1 3.28Å; H268-R287 PolarHBondContact NE2-NH2 3.36Å; H268-Y312 AromaticContact ND1-CE1 3.82Å; H268-Y312 AromaticContact ND1-CZ 3.83Å; H268-Y312 PolarHBondContact ND1-OH 2.85Å; H268-Q664 WeakPolarHBondContact O-CG 3.38Å; H268-D668 WeakPolarHBondContact CB-OD2 2.97Å; H268-D668 IonicContact CD2-OD1 3.24Å; H268-D668 PolarHBondContact CD2-OD1 2.77Å; H268-D668 IonicContact CD2-OD2 3.19Å; H268-D668 IonicContact CG-OD2 3.97Å; H268-D668 PolarHBondContact N-OD2 3.45Å; H268-W726 PolarHBondContact NE2-O 3.16Å; H268-R728 PolarHBondContact NE2-N 3.39Å
269	E	81.6	Confident	79.2	Confident	19 Å²	19	52.9 Å²	52.9	9%	0.089	26%	0.26	C	S	.	.			trans	-72	53.3	173.2	-64.2	158.2	-150.7	0	0	112.1	N227 N285 H286 Y312 R728	N227-E269 WeakPolarHBondContact CB-OE1 3.42Å; N227-E269 PolarHBondContact ND2-OE1 3.01Å; E269-N285 VanDerWaalsContact O-CB 3.28Å; E269-N285 WeakPolarHBondContact O-CB 3.41Å; E269-N285 VanDerWaalsContact O-CG 3.24Å; E269-N285 PolarHBondContact O-OD1 3.28Å; E269-H286 IonicContact OE2-CE1 3.57Å; E269-H286 IonicContact OE2-CG 2.79Å; E269-H286 IonicContact OE2-ND1 2.62Å; E269-H286 PolarHBondContact OE2-ND1 2.8Å; E269-Y312 HydrophobicContact CB-CE2 4.34Å; E269-Y312 HydrophobicContact CG-CE2 4.29Å; E269-R728 IonicContact OE1-CZ 2.67Å; E269-R728 IonicContact OE1-NH1 2.72Å; E269-R728 PolarHBondContact OE1-NH1 3.3Å; E269-R728 VanDerWaalsContact OE1-NH1 3.13Å; E269-R728 IonicContact OE1-NH2 2.93Å; E269-R728 PolarHBondContact OE1-NH2 2.85Å
270	G	81.3	Confident	77.8	Confident	7 Å²	7	51.6 Å²	51.6	7%	0.072	26%	0.256	C	S	.	.	S	Bend	trans	87.4	-148	174	0	0	0	0	0	116.3	H268 R287	H268-G270 PolarHBondContact O-N 3.09Å; G270-R287 WeakPolarHBondContact O-CD 3.39Å; G270-R287 PolarHBondContact O-NH1 3.33Å
271	S	81.3	Confident	76.4	Confident	37 Å²	37	57.9 Å²	57.9	26%	0.259	29%	0.285	S	S	.	.			trans	-76.4	147.7	-174	-163.3	0	0	0	0	112.8	H273	S271-H273 PolarHBondContact OG-N 3.49Å; S271-H273 PolarHBondContact OG-O 3.17Å
272	Y	78.6	Confident	75.1	Confident	66 Å²	66	59.5 Å²	59.5	26%	0.259	30%	0.303	S	S	.	.	S	Bend	trans	-86.8	-13.2	168.4	64.1	-100	0	0	0	113	Y291 T724	Y272-Y291 HydrophobicContact CD2-CD1 4.47Å; Y272-Y291 HydrophobicContact CD2-CD2 4.09Å; Y272-Y291 HydrophobicContact CD2-CE1 4.49Å; Y272-Y291 HydrophobicContact CD2-CE2 4.11Å; Y272-Y291 HydrophobicContact CD2-CG 4.28Å; Y272-T724 HydrophobicContact CD1-CG2 4.02Å; Y272-T724 HydrophobicContact CD2-CG2 3.92Å; Y272-T724 HydrophobicContact CE1-CG2 4.19Å; Y272-T724 HydrophobicContact CE2-CG2 4.12Å; Y272-T724 HydrophobicContact CG-CG2 3.89Å
273	H	73.9	Confident	73.9	Confident	125 Å²	125	58.1 Å²	58.1	58%	0.579	30%	0.302	S	S	*	.			trans	-124.6	120.2	-175	-162.1	-40.2	0	0	0	109	S271	S271-H273 PolarHBondContact OG-N 3.49Å; S271-H273 PolarHBondContact OG-O 3.17Å
274	S	69.5	Low	72.9	Confident	12 Å²	12	62.8 Å²	62.8	8%	0.084	32%	0.322	C	S	.	.			trans	-92.9	-177	170	65.4	0	0	0	0	110.5	N276 E284 H288	S274-N276 PolarHBondContact OG-N 2.84Å; S274-N276 PolarHBondContact OG-O 2.69Å; S274-E284 WeakPolarHBondContact CB-OE2 3.45Å; S274-H288 PolarHBondContact OG-CE1 2.92Å; S274-H288 VanDerWaalsContact OG-CE1 3.22Å; S274-H288 PolarHBondContact OG-NE2 2.92Å; S274-H288 VanDerWaalsContact OG-NE2 3.1Å
275	K	62.7	Low	72.3	Confident	207 Å²	207	64 Å²	64	90%	0.9	33%	0.326	S	S	*	.	S	Bend	trans	-91.9	-14.3	162	-70.1	-175.8	178.2	-178.8	0	113.2
276	N	64.1	Low	71.8	Confident	64 Å²	64	68.3 Å²	68.3	34%	0.342	35%	0.346	S	S	.	.	S	Bend	trans	-124.7	124.6	-166.1	-69.5	-2	0	0	0	109.6	S274 H281	S274-N276 PolarHBondContact OG-N 2.84Å; S274-N276 PolarHBondContact OG-O 2.69Å; N276-H281 HydrophobicContact CB-CB 4.13Å; N276-H281 PolarHBondContact ND2-CD2 2.87Å; N276-H281 VanDerWaalsContact ND2-CD2 3.34Å
277	S	60.9	Low	71.5	Confident	53 Å²	53	68.5 Å²	68.5	37%	0.371	35%	0.346	S	S	.	.			trans	-66.9	148.6	176.7	176.6	0	0	0	0	111.1	R279 T280 H281 E292	S277-R279 PolarHBondContact O-N 3.45Å; S277-T280 PolarHBondContact O-N 3.32Å; S277-T280 PolarHBondContact O-OG1 2.9Å; S277-H281 PolarHBondContact O-N 3.11Å; S277-E292 WeakPolarHBondContact CA-OE1 3.31Å; S277-E292 PolarHBondContact OG-OE2 3Å
278	I	61.7	Low	71.2	Confident	33 Å²	33	68.2 Å²	68.2	17%	0.169	35%	0.345	C	S	.	.	H	α-helix	trans	-56.4	-29.2	-179.4	-58.9	174.3	0	0	0	111.6	T280 G282 A283 H288 L289 E292	I278-T280 VanDerWaalsContact C-N 3.26Å; I278-T280 PolarHBondContact O-N 2.65Å; I278-G282 WeakPolarHBondContact CA-O 3.49Å; I278-G282 WeakPolarHBondContact O-CA 3.4Å; I278-G282 PolarHBondContact O-N 3.37Å; I278-A283 HydrophobicContact CD1-CB 4.3Å; I278-A283 HydrophobicContact CG1-CB 4.39Å; I278-A283 HydrophobicContact CG2-CB 4.33Å; I278-H288 VanDerWaalsContact CG1-CE1 3.41Å; I278-H288 WeakPolarHBondContact CG1-CE1 3.22Å; I278-L289 HydrophobicContact CD1-CB 4.32Å; I278-L289 HydrophobicContact CD1-CD1 3.79Å; I278-L289 HydrophobicContact CG2-CD1 4.48Å; I278-E292 HydrophobicContact CD1-CB 3.76Å; I278-E292 HydrophobicContact CD1-CG 4.35Å; I278-E292 HydrophobicContact CG1-CB 4.47Å; I278-E292 PolarHBondContact N-OE2 2.77Å; I278-E292 VanDerWaalsContact N-OE2 3.13Å
279	R	59.1	Low	71	Confident	232 Å²	232	68.6 Å²	68.6	88%	0.875	35%	0.347	S	S	*	.	H	α-helix	trans	-64	-19.3	176.8	-88	-177.6	158.1	180	-7.4	115.7	S277	S277-R279 PolarHBondContact O-N 3.45Å
280	T	55.3	Low	71.3	Confident	101 Å²	101	67.7 Å²	67.7	62%	0.62	34%	0.342	S	S	*	.	H	α-helix	trans	-115.3	-25.3	-178.4	52.1	0	0	0	0	114.1	S277 I278	S277-T280 PolarHBondContact O-N 3.32Å; S277-T280 PolarHBondContact O-OG1 2.9Å; I278-T280 VanDerWaalsContact C-N 3.26Å; I278-T280 PolarHBondContact O-N 2.65Å
281	H	56.2	Low	71.7	Confident	133 Å²	133	69.3 Å²	69.3	62%	0.616	35%	0.346	S	S	*	.	H	α-helix	trans	-132.4	4.5	-177.1	-68.3	-78.7	0	0	0	115.3	N276 S277	N276-H281 HydrophobicContact CB-CB 4.13Å; N276-H281 PolarHBondContact ND2-CD2 2.87Å; N276-H281 VanDerWaalsContact ND2-CD2 3.34Å; S277-H281 PolarHBondContact O-N 3.11Å
282	G	61	Low	71.8	Confident	36 Å²	36	69.7 Å²	69.7	37%	0.371	34%	0.344	S	S	.	.			trans	76.8	-179.1	-173.2	0	0	0	0	0	113	I278	I278-G282 WeakPolarHBondContact CA-O 3.49Å; I278-G282 WeakPolarHBondContact O-CA 3.4Å; I278-G282 PolarHBondContact O-N 3.37Å
283	A	61.5	Low	72.1	Confident	47 Å²	47	67.6 Å²	67.6	39%	0.388	34%	0.339	S	S	.	.			trans	-86.4	125.1	179.5	0	0	0	0	0	111.4	I278 L289	I278-A283 HydrophobicContact CD1-CB 4.3Å; I278-A283 HydrophobicContact CG1-CB 4.39Å; I278-A283 HydrophobicContact CG2-CB 4.33Å; A283-L289 HydrophobicContact CB-CB 4.02Å; A283-L289 HydrophobicContact CB-CD1 4.22Å; A283-L289 HydrophobicContact CB-CG 4.5Å
284	E	67.6	Low	72.8	Confident	104 Å²	104	61.7 Å²	61.7	49%	0.486	31%	0.312	S	S	.	.	S	Bend	trans	-72.9	-36.6	176	-65.9	176.1	-179.8	0	0	111.9	S274	S274-E284 WeakPolarHBondContact CB-OE2 3.45Å
285	N	77.9	Confident	73.7	Confident	51 Å²	51	61.1 Å²	61.1	27%	0.273	31%	0.308	S	S	.	.	S	Bend	trans	-151.2	154.2	-178.2	-62.9	-79.8	0	0	0	111	E269 R287 H288 L289	E269-N285 VanDerWaalsContact O-CB 3.28Å; E269-N285 WeakPolarHBondContact O-CB 3.41Å; E269-N285 VanDerWaalsContact O-CG 3.24Å; E269-N285 PolarHBondContact O-OD1 3.28Å; N285-R287 PolarHBondContact O-N 3.04Å; N285-H288 WeakPolarHBondContact O-CB 3.35Å; N285-H288 PolarHBondContact O-N 2.97Å; N285-H288 VanDerWaalsContact O-N 3.08Å; N285-L289 PolarHBondContact O-N 3.03Å
286	H	80.5	Confident	74.8	Confident	97 Å²	97	57.6 Å²	57.6	45%	0.449	29%	0.289	S	S	.	.	H	α-helix	trans	-60.6	-30.6	177.1	-58.5	109.5	0	0	0	113.4	E269 H288 L289 L290 Y312	E269-H286 IonicContact OE2-CE1 3.57Å; E269-H286 IonicContact OE2-CG 2.79Å; E269-H286 IonicContact OE2-ND1 2.62Å; E269-H286 PolarHBondContact OE2-ND1 2.8Å; H286-H288 VanDerWaalsContact C-N 3.34Å; H286-L289 PolarHBondContact O-N 3.26Å; H286-L290 WeakPolarHBondContact O-CB 3.41Å; H286-L290 WeakPolarHBondContact O-CG 3.27Å; H286-L290 PolarHBondContact O-N 2.91Å; H286-Y312 HydrophobicContact CB-CD2 3.85Å; H286-Y312 HydrophobicContact CB-CE2 4.1Å
287	R	86.1	Confident	75.8	Confident	6 Å²	6	59.5 Å²	59.5	2%	0.023	29%	0.291	C	S	.	.	H	α-helix	trans	-62.7	-40.8	175	-165.3	-172.2	-170.6	156.5	12.5	112	H268 G270 N285 Y291 Y312 D668 V723	H268-R287 PolarHBondContact CD2-NH1 3.37Å; H268-R287 PolarHBondContact CD2-NH2 3.03Å; H268-R287 VanDerWaalsContact CG-NH1 3.28Å; H268-R287 PolarHBondContact NE2-NH2 3.36Å; G270-R287 WeakPolarHBondContact O-CD 3.39Å; G270-R287 PolarHBondContact O-NH1 3.33Å; N285-R287 PolarHBondContact O-N 3.04Å; R287-Y291 PolarHBondContact O-N 2.95Å; R287-Y291 VanDerWaalsContact O-N 3.08Å; R287-Y312 HydrophobicContact CB-CE2 4.46Å; R287-D668 IonicContact NH1-OD1 2.8Å; R287-D668 PolarHBondContact NH1-OD1 3.32Å; R287-V723 HydrophobicContact CG-CG1 4.13Å; R287-V723 PolarHBondContact NE-O 3.27Å; R287-V723 PolarHBondContact NH2-O 3.32Å
288	H	84.7	Confident	76.8	Confident	2 Å²	2	58.7 Å²	58.7	1%	0.009	29%	0.291	C	S	.	.	H	α-helix	trans	-71.9	-39.5	177.6	168	-132.8	0	0	0	111.2	S274 I278 N285 H286 Y291 E292	S274-H288 PolarHBondContact OG-CE1 2.92Å; S274-H288 VanDerWaalsContact OG-CE1 3.22Å; S274-H288 PolarHBondContact OG-NE2 2.92Å; S274-H288 VanDerWaalsContact OG-NE2 3.1Å; I278-H288 VanDerWaalsContact CG1-CE1 3.41Å; I278-H288 WeakPolarHBondContact CG1-CE1 3.22Å; N285-H288 WeakPolarHBondContact O-CB 3.35Å; N285-H288 PolarHBondContact O-N 2.97Å; N285-H288 VanDerWaalsContact O-N 3.08Å; H286-H288 VanDerWaalsContact C-N 3.34Å; H288-Y291 WeakPolarHBondContact O-CB 3.36Å; H288-Y291 PolarHBondContact O-N 3.01Å; H288-Y291 VanDerWaalsContact O-N 3.12Å; H288-E292 IonicContact CD2-OE1 2.71Å; H288-E292 IonicContact CE1-OE1 3.27Å; H288-E292 IonicContact NE2-OE1 2.68Å; H288-E292 PolarHBondContact NE2-OE1 2.98Å; H288-E292 PolarHBondContact O-N 3.35Å
289	L	85.8	Confident	77.9	Confident	9 Å²	9	57.4 Å²	57.4	5%	0.047	29%	0.285	C	S	.	.	H	α-helix	trans	-58.9	-48.4	171.5	-176.6	62.8	0	0	0	112.6	L195 I278 A283 N285 H286 Y291 C293 L308	L195-L289 HydrophobicContact CD1-CD1 4.26Å; L195-L289 HydrophobicContact CD1-CD2 4.21Å; L195-L289 HydrophobicContact CD2-CD1 4.17Å; L195-L289 HydrophobicContact CD2-CD2 3.85Å; I278-L289 HydrophobicContact CD1-CB 4.32Å; I278-L289 HydrophobicContact CD1-CD1 3.79Å; I278-L289 HydrophobicContact CG2-CD1 4.48Å; A283-L289 HydrophobicContact CB-CB 4.02Å; A283-L289 HydrophobicContact CB-CD1 4.22Å; A283-L289 HydrophobicContact CB-CG 4.5Å; N285-L289 PolarHBondContact O-N 3.03Å; H286-L289 PolarHBondContact O-N 3.26Å; L289-Y291 PolarHBondContact O-N 2.79Å; L289-C293 VanDerWaalsContact O-CB 3.23Å; L289-C293 WeakPolarHBondContact O-CB 3.39Å; L289-C293 PolarHBondContact O-N 3.44Å; L289-L308 HydrophobicContact CD2-CD1 4.13Å; L289-L308 HydrophobicContact CD2-CD2 3.67Å; L289-L308 HydrophobicContact CG-CD2 3.75Å
290	L	88.1	Confident	79	Confident	0 Å²	0	53.7 Å²	53.7	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-61.3	-32.4	174.1	-78.8	164.1	0	0	0	112.4	H286 W294 A295 L308 I309 Y312 F313 V723	H286-L290 WeakPolarHBondContact O-CB 3.41Å; H286-L290 WeakPolarHBondContact O-CG 3.27Å; H286-L290 PolarHBondContact O-N 2.91Å; L290-W294 HydrophobicContact CB-CE3 4.46Å; L290-W294 HydrophobicContact CD2-CE3 3.87Å; L290-W294 HydrophobicContact CD2-CZ3 4.31Å; L290-W294 WeakPolarHBondContact O-CB 3.42Å; L290-W294 PolarHBondContact O-N 2.95Å; L290-A295 PolarHBondContact O-N 2.78Å; L290-A295 VanDerWaalsContact O-N 3.08Å; L290-L308 HydrophobicContact CD2-CB 4.37Å; L290-L308 HydrophobicContact CD2-CD2 3.76Å; L290-L308 HydrophobicContact CD2-CG 3.81Å; L290-L308 HydrophobicContact CG-CD2 3.86Å; L290-L308 HydrophobicContact CG-CG 3.99Å; L290-I309 HydrophobicContact CD2-CG1 3.86Å; L290-Y312 HydrophobicContact CD1-CD1 3.78Å; L290-Y312 HydrophobicContact CD1-CD2 4.15Å; L290-Y312 HydrophobicContact CD1-CE1 4.48Å; L290-Y312 HydrophobicContact CD1-CG 3.58Å; L290-F313 HydrophobicContact CD1-CE2 4.13Å; L290-V723 HydrophobicContact CB-CG2 4.23Å
291	Y	88.6	Confident	80.2	Confident	40 Å²	40	53.9 Å²	53.9	16%	0.157	26%	0.261	C	S	.	.	I	π-helix	trans	-68.1	-60.6	177	-171.2	-101.9	0	0	0	112.3	Y272 R287 H288 L289 C293 A295 W296 Y720 V723 T724	Y272-Y291 HydrophobicContact CD2-CD1 4.47Å; Y272-Y291 HydrophobicContact CD2-CD2 4.09Å; Y272-Y291 HydrophobicContact CD2-CE1 4.49Å; Y272-Y291 HydrophobicContact CD2-CE2 4.11Å; Y272-Y291 HydrophobicContact CD2-CG 4.28Å; R287-Y291 PolarHBondContact O-N 2.95Å; R287-Y291 VanDerWaalsContact O-N 3.08Å; H288-Y291 WeakPolarHBondContact O-CB 3.36Å; H288-Y291 PolarHBondContact O-N 3.01Å; H288-Y291 VanDerWaalsContact O-N 3.12Å; L289-Y291 PolarHBondContact O-N 2.79Å; Y291-C293 VanDerWaalsContact C-N 3.35Å; Y291-C293 PolarHBondContact O-N 3.32Å; Y291-A295 HydrophobicContact CD2-CB 4.11Å; Y291-A295 PolarHBondContact O-N 2.8Å; Y291-W296 WeakPolarHBondContact O-CB 3.33Å; Y291-W296 PolarHBondContact O-N 3.42Å; Y291-Y720 AromaticContact CE2-CD2 3.94Å; Y291-Y720 HydrophobicContact CE2-CD2 3.94Å; Y291-Y720 AromaticContact CE2-CE2 3.97Å; Y291-Y720 HydrophobicContact CE2-CE2 3.97Å; Y291-V723 HydrophobicContact CD2-CG1 4.09Å; Y291-T724 HydrophobicContact CD2-CG2 3.8Å; Y291-T724 HydrophobicContact CE2-CG2 3.69Å
292	E	84.6	Confident	81.3	Confident	46 Å²	46	50.5 Å²	50.5	22%	0.215	25%	0.245	C	C	.	.	I	π-helix	trans	-66.3	-32	-177.7	-85.2	-173.8	-139.6	0	0	113.3	S277 I278 H288 V299	S277-E292 WeakPolarHBondContact CA-OE1 3.31Å; S277-E292 PolarHBondContact OG-OE2 3Å; I278-E292 HydrophobicContact CD1-CB 3.76Å; I278-E292 HydrophobicContact CD1-CG 4.35Å; I278-E292 HydrophobicContact CG1-CB 4.47Å; I278-E292 PolarHBondContact N-OE2 2.77Å; I278-E292 VanDerWaalsContact N-OE2 3.13Å; H288-E292 IonicContact CD2-OE1 2.71Å; H288-E292 IonicContact CE1-OE1 3.27Å; H288-E292 IonicContact NE2-OE1 2.68Å; H288-E292 PolarHBondContact NE2-OE1 2.98Å; H288-E292 PolarHBondContact O-N 3.35Å; E292-V299 WeakPolarHBondContact O-CG2 3.48Å
293	C	83.7	Confident	82.2	Confident	22 Å²	22	55.7 Å²	55.7	15%	0.149	25%	0.254	C	S	.	.	I	π-helix	trans	-91.2	-18.6	-174.9	-66.7	0	0	0	0	115.5	F190 L289 Y291	F190-C293 HydrophobicContact CE2-CB 3.92Å; F190-C293 HydrophobicContact CZ-CB 3.71Å; L289-C293 VanDerWaalsContact O-CB 3.23Å; L289-C293 WeakPolarHBondContact O-CB 3.39Å; L289-C293 PolarHBondContact O-N 3.44Å; Y291-C293 VanDerWaalsContact C-N 3.35Å; Y291-C293 PolarHBondContact O-N 3.32Å
294	W	88.4	Confident	83.3	Confident	0 Å²	0	54.9 Å²	54.9	0%	0	24%	0.242	C	C	.	.	I	π-helix	trans	-140	-48.5	-170.8	170.9	62.9	0	0	0	114.1	L290 P305 I309 F313 F321 R716 A719 V723	L290-W294 HydrophobicContact CB-CE3 4.46Å; L290-W294 HydrophobicContact CD2-CE3 3.87Å; L290-W294 HydrophobicContact CD2-CZ3 4.31Å; L290-W294 WeakPolarHBondContact O-CB 3.42Å; L290-W294 PolarHBondContact O-N 2.95Å; W294-P305 HydrophobicContact CB-CG 3.92Å; W294-P305 HydrophobicContact CG-CG 4.31Å; W294-I309 HydrophobicContact CD2-CD1 3.83Å; W294-I309 HydrophobicContact CD2-CG1 4.17Å; W294-I309 VanDerWaalsContact CE2-CD1 3.41Å; W294-I309 HydrophobicContact CE3-CD1 4.31Å; W294-I309 HydrophobicContact CE3-CG1 4.17Å; W294-I309 HydrophobicContact CG-CD1 4.34Å; W294-I309 HydrophobicContact CH2-CD1 4.06Å; W294-I309 HydrophobicContact CH2-CG1 4.1Å; W294-I309 HydrophobicContact CH2-CG2 4.36Å; W294-I309 HydrophobicContact CZ2-CD1 3.53Å; W294-I309 HydrophobicContact CZ2-CG1 4.1Å; W294-I309 HydrophobicContact CZ3-CD1 4.42Å; W294-I309 HydrophobicContact CZ3-CG1 4.14Å; W294-F313 HydrophobicContact CZ3-CE2 4.18Å; W294-F321 HydrophobicContact CH2-CD2 4Å; W294-F321 HydrophobicContact CH2-CE1 4.24Å; W294-F321 AromaticContact CH2-CE2 3.6Å; W294-F321 HydrophobicContact CH2-CE2 3.6Å; W294-F321 HydrophobicContact CH2-CG 4.49Å; W294-F321 AromaticContact CH2-CZ 3.73Å; W294-F321 HydrophobicContact CH2-CZ 3.73Å; W294-F321 AromaticContact CZ2-CD1 3.69Å; W294-F321 HydrophobicContact CZ2-CD1 3.69Å; W294-F321 AromaticContact CZ2-CD2 3.73Å; W294-F321 HydrophobicContact CZ2-CD2 3.73Å; W294-F321 AromaticContact CZ2-CE1 3.6Å; W294-F321 HydrophobicContact CZ2-CE1 3.6Å; W294-F321 AromaticContact CZ2-CE2 3.64Å; W294-F321 HydrophobicContact CZ2-CE2 3.64Å; W294-F321 AromaticContact CZ2-CG 3.76Å; W294-F321 HydrophobicContact CZ2-CG 3.76Å; W294-F321 AromaticContact CZ2-CZ 3.58Å; W294-F321 HydrophobicContact CZ2-CZ 3.58Å; W294-R716 WeakPolarHBondContact O-CD 3.47Å; W294-R716 PolarHBondContact O-NH1 3.25Å; W294-A719 HydrophobicContact CD2-CB 3.63Å; W294-A719 VanDerWaalsContact CE2-CB 3.46Å; W294-A719 HydrophobicContact CE3-CB 3.8Å; W294-A719 HydrophobicContact CG-CB 4.33Å; W294-A719 HydrophobicContact CH2-CB 3.73Å; W294-A719 HydrophobicContact CZ2-CB 3.54Å; W294-A719 HydrophobicContact CZ3-CB 3.85Å; W294-V723 HydrophobicContact CE3-CG2 4.24Å; W294-V723 HydrophobicContact CZ3-CG2 3.87Å
295	A	88.8	Confident	84.3	Confident	0 Å²	0	50.8 Å²	50.8	0%	0	22%	0.224	C	C	.	.	I	π-helix	trans	-80.7	-15	-177.7	0	0	0	0	0	114.7	L290 Y291 W297 A719 V723	L290-A295 PolarHBondContact O-N 2.78Å; L290-A295 VanDerWaalsContact O-N 3.08Å; Y291-A295 HydrophobicContact CD2-CB 4.11Å; Y291-A295 PolarHBondContact O-N 2.8Å; A295-W297 PolarHBondContact O-N 3.4Å; A295-A719 HydrophobicContact CB-CB 3.88Å; A295-V723 HydrophobicContact CB-CB 4.34Å; A295-V723 HydrophobicContact CB-CG2 4.24Å
296	W	86.5	Confident	84.7	Confident	134 Å²	134	49.4 Å²	49.4	51%	0.508	22%	0.217	S	C	.	.	S	Bend	trans	-77.3	123.7	179	-174.7	46.3	0	0	0	112.2	Y291 G298 V299	Y291-W296 WeakPolarHBondContact O-CB 3.33Å; Y291-W296 PolarHBondContact O-N 3.42Å; W296-G298 PolarHBondContact O-N 2.86Å; W296-G298 VanDerWaalsContact O-N 3.07Å; W296-V299 HydrophobicContact CB-CG2 4.24Å; W296-V299 HydrophobicContact CD2-CG2 4.2Å; W296-V299 HydrophobicContact CE3-CG2 3.43Å; W296-V299 VanDerWaalsContact CE3-CG2 3.43Å; W296-V299 HydrophobicContact CZ3-CG2 4.13Å; W296-V299 WeakPolarHBondContact O-CB 3.45Å; W296-V299 PolarHBondContact O-N 3.02Å
297	W	85	Confident	84.9	Confident	104 Å²	104	48 Å²	48	39%	0.394	21%	0.213	S	C	.	.	G	3₁₀ helix	trans	-51.1	-32.8	-177.9	-64.4	97.4	0	0	0	114.8	A295 V299 W300 I713 R716 L717	A295-W297 PolarHBondContact O-N 3.4Å; W297-V299 PolarHBondContact O-N 3.31Å; W297-V299 VanDerWaalsContact O-N 3.08Å; W297-W300 PolarHBondContact O-N 2.98Å; W297-I713 HydrophobicContact CH2-CG2 4.24Å; W297-I713 HydrophobicContact CZ3-CG2 4.1Å; W297-R716 HydrophobicContact CD2-CB 4.43Å; W297-R716 HydrophobicContact CE3-CB 3.92Å; W297-R716 HydrophobicContact CH2-CB 4.47Å; W297-R716 HydrophobicContact CZ3-CB 3.94Å; W297-L717 HydrophobicContact CH2-CB 3.9Å; W297-L717 HydrophobicContact CH2-CG 4.27Å; W297-L717 HydrophobicContact CZ2-CB 4.43Å
298	G	82.6	Confident	84.9	Confident	36 Å²	36	48.3 Å²	48.3	37%	0.371	22%	0.215	S	C	.	.	G	3₁₀ helix	trans	-65.5	-7.1	177	0	0	0	0	0	115.2	W296 Y301	W296-G298 PolarHBondContact O-N 2.86Å; W296-G298 VanDerWaalsContact O-N 3.07Å; G298-Y301 WeakPolarHBondContact O-CE1 3.39Å
299	V	83.9	Confident	85.2	Confident	5 Å²	5	48.2 Å²	48.2	3%	0.03	21%	0.214	C	C	.	.	G	3₁₀ helix	trans	-111.5	15.6	-172.5	-162.6	0	0	0	0	112.2	E292 W296 W297 Y301 K302 R716	E292-V299 WeakPolarHBondContact O-CG2 3.48Å; W296-V299 HydrophobicContact CB-CG2 4.24Å; W296-V299 HydrophobicContact CD2-CG2 4.2Å; W296-V299 HydrophobicContact CE3-CG2 3.43Å; W296-V299 VanDerWaalsContact CE3-CG2 3.43Å; W296-V299 HydrophobicContact CZ3-CG2 4.13Å; W296-V299 WeakPolarHBondContact O-CB 3.45Å; W296-V299 PolarHBondContact O-N 3.02Å; W297-V299 PolarHBondContact O-N 3.31Å; W297-V299 VanDerWaalsContact O-N 3.08Å; V299-Y301 PolarHBondContact O-N 3.02Å; V299-K302 HydrophobicContact CG1-CB 3.98Å; V299-K302 HydrophobicContact CG1-CD 3.52Å; V299-K302 HydrophobicContact CG1-CG 3.71Å; V299-K302 PolarHBondContact O-N 3.35Å; V299-K302 VanDerWaalsContact O-N 3.1Å; V299-R716 PolarHBondContact O-NH2 3.41Å
300	W	82.3	Confident	85.3	Confident	154 Å²	154	50 Å²	50	58%	0.583	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-51.7	-31.4	-175	67.8	-93.2	0	0	0	114.8	W297 I712 R716	W297-W300 PolarHBondContact O-N 2.98Å; W300-I712 HydrophobicContact CB-CG2 4.49Å; W300-I712 HydrophobicContact CE3-CG2 4.03Å; W300-R716 PolarHBondContact O-NH2 3.15Å
301	Y	80.9	Confident	85.2	Confident	105 Å²	105	55.6 Å²	55.6	41%	0.412	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.7	-10.6	-177.2	63.6	-92.9	0	0	0	115.9	G298 V299	G298-Y301 WeakPolarHBondContact O-CE1 3.39Å; V299-Y301 PolarHBondContact O-N 3.02Å
302	K	79.7	Confident	85.3	Confident	63 Å²	63	53.9 Å²	53.9	27%	0.274	24%	0.235	S	C	.	.	S	Bend	trans	-90	149.1	179.5	-59.4	-167.9	-169.2	171.7	0	112.2	V299 R716	V299-K302 HydrophobicContact CG1-CB 3.98Å; V299-K302 HydrophobicContact CG1-CD 3.52Å; V299-K302 HydrophobicContact CG1-CG 3.71Å; V299-K302 PolarHBondContact O-N 3.35Å; V299-K302 VanDerWaalsContact O-N 3.1Å; K302-R716 PolarHBondContact O-NH2 3.28Å
303	Y	78.6	Confident	85.5	Confident	145 Å²	145	51.7 Å²	51.7	57%	0.569	23%	0.225	S	C	*	.	P	Polyproline II helix	trans	-59	152.9	169.1	-68.3	-49.3	0	0	0	112.4	M188	M188-Y303 HydrophobicContact CB-CD2 4.05Å; M188-Y303 HydrophobicContact CB-CE2 3.69Å; M188-Y303 WeakPolarHBondContact O-CD2 3.29Å; M188-Y303 PolarHBondContact O-N 2.86Å; M188-Y303 VanDerWaalsContact O-N 3.16Å
304	Q	85.1	Confident	85.8	Confident	30 Å²	30	50.7 Å²	50.7	14%	0.14	22%	0.218	C	C	.	.	P	Polyproline II helix	trans	-78.5	135.7	-178.5	-52.7	-173	47.3	0	0	110.9	L306 F321 I715	Q304-L306 VanDerWaalsContact C-N 3.27Å; Q304-L306 HydrophobicContact CB-CD2 4.11Å; Q304-L306 PolarHBondContact O-N 3.09Å; Q304-F321 PolarHBondContact NE2-O 3.48Å; Q304-I715 HydrophobicContact CG-CG2 4.25Å
305	P	88.7	Confident	85.8	Confident	17 Å²	17	51.9 Å²	51.9	11%	0.11	22%	0.224	C	C	.	.			trans	-81.8	70.6	178.4	34.7	-35.3	0	0	0	110.8	F190 W294 D307 L308 I309	F190-P305 HydrophobicContact CD2-CB 4.43Å; F190-P305 HydrophobicContact CE2-CB 4.12Å; F190-P305 HydrophobicContact CE2-CG 4.37Å; F190-P305 HydrophobicContact CZ-CB 4.45Å; W294-P305 HydrophobicContact CB-CG 3.92Å; W294-P305 HydrophobicContact CG-CG 4.31Å; P305-D307 VanDerWaalsContact C-N 3.26Å; P305-D307 PolarHBondContact O-N 3.29Å; P305-D307 VanDerWaalsContact O-N 3.15Å; P305-L308 HydrophobicContact CB-CB 4.19Å; P305-L308 PolarHBondContact O-N 2.92Å; P305-L308 VanDerWaalsContact O-N 3.09Å; P305-I309 WeakPolarHBondContact O-CG1 3.38Å; P305-I309 PolarHBondContact O-N 2.89Å; P305-I309 VanDerWaalsContact O-N 3.1Å
306	L	86.9	Confident	85.7	Confident	23 Å²	23	54.1 Å²	54.1	12%	0.12	23%	0.234	C	C	.	.	H	α-helix	trans	-52.1	-40.1	-170.9	-63.4	178.1	0	0	0	113.6	Q304 I309 R310 F321 A322 W426	Q304-L306 VanDerWaalsContact C-N 3.27Å; Q304-L306 HydrophobicContact CB-CD2 4.11Å; Q304-L306 PolarHBondContact O-N 3.09Å; L306-I309 WeakPolarHBondContact O-CB 3.46Å; L306-I309 PolarHBondContact O-N 3.11Å; L306-R310 PolarHBondContact O-N 3.47Å; L306-F321 HydrophobicContact CD2-CB 4.29Å; L306-A322 HydrophobicContact CD1-CB 3.84Å; L306-A322 HydrophobicContact CD2-CB 4.01Å; L306-W426 HydrophobicContact CB-CZ2 4.22Å
307	D	84.7	Confident	86	Confident	67 Å²	67	48 Å²	48	36%	0.358	21%	0.211	S	C	.	.	H	α-helix	trans	-77.4	-25.3	-174.9	-50.2	-74.7	0	0	0	112.6	P305 R311 W426	P305-D307 VanDerWaalsContact C-N 3.26Å; P305-D307 PolarHBondContact O-N 3.29Å; P305-D307 VanDerWaalsContact O-N 3.15Å; D307-R311 WeakPolarHBondContact O-CB 3.42Å; D307-R311 VanDerWaalsContact O-CG 3.22Å; D307-R311 WeakPolarHBondContact O-CG 3.35Å; D307-R311 PolarHBondContact O-N 3.33Å; D307-W426 PolarHBondContact OD1-NE1 2.93Å
308	L	85.9	Confident	86.3	Confident	12 Å²	12	43 Å²	43	6%	0.063	19%	0.192	C	C	.	.	H	α-helix	trans	-72.8	-38.3	168.2	-174.3	67	0	0	0	111	L289 L290 P305 R311 Y312	L289-L308 HydrophobicContact CD2-CD1 4.13Å; L289-L308 HydrophobicContact CD2-CD2 3.67Å; L289-L308 HydrophobicContact CG-CD2 3.75Å; L290-L308 HydrophobicContact CD2-CB 4.37Å; L290-L308 HydrophobicContact CD2-CD2 3.76Å; L290-L308 HydrophobicContact CD2-CG 3.81Å; L290-L308 HydrophobicContact CG-CD2 3.86Å; L290-L308 HydrophobicContact CG-CG 3.99Å; P305-L308 HydrophobicContact CB-CB 4.19Å; P305-L308 PolarHBondContact O-N 2.92Å; P305-L308 VanDerWaalsContact O-N 3.09Å; L308-R311 PolarHBondContact O-N 2.6Å; L308-Y312 WeakPolarHBondContact O-CB 3.47Å; L308-Y312 PolarHBondContact O-N 2.68Å; L308-Y312 VanDerWaalsContact O-N 3.14Å
309	I	90.3	Very high	86.8	Confident	0 Å²	0	41.5 Å²	41.5	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-62.6	-47.6	174	-61.8	162.6	0	0	0	109.6	L290 W294 P305 L306 Y312 F313 I317 F321	L290-I309 HydrophobicContact CD2-CG1 3.86Å; W294-I309 HydrophobicContact CD2-CD1 3.83Å; W294-I309 HydrophobicContact CD2-CG1 4.17Å; W294-I309 VanDerWaalsContact CE2-CD1 3.41Å; W294-I309 HydrophobicContact CE3-CD1 4.31Å; W294-I309 HydrophobicContact CE3-CG1 4.17Å; W294-I309 HydrophobicContact CG-CD1 4.34Å; W294-I309 HydrophobicContact CH2-CD1 4.06Å; W294-I309 HydrophobicContact CH2-CG1 4.1Å; W294-I309 HydrophobicContact CH2-CG2 4.36Å; W294-I309 HydrophobicContact CZ2-CD1 3.53Å; W294-I309 HydrophobicContact CZ2-CG1 4.1Å; W294-I309 HydrophobicContact CZ3-CD1 4.42Å; W294-I309 HydrophobicContact CZ3-CG1 4.14Å; P305-I309 WeakPolarHBondContact O-CG1 3.38Å; P305-I309 PolarHBondContact O-N 2.89Å; P305-I309 VanDerWaalsContact O-N 3.1Å; L306-I309 WeakPolarHBondContact O-CB 3.46Å; L306-I309 PolarHBondContact O-N 3.11Å; I309-Y312 PolarHBondContact O-N 2.98Å; I309-F313 HydrophobicContact CG2-CD2 4.23Å; I309-F313 WeakPolarHBondContact O-CB 3.45Å; I309-F313 PolarHBondContact O-N 3.38Å; I309-I317 HydrophobicContact CG2-CG2 4.37Å; I309-F321 HydrophobicContact CD1-CB 4.5Å; I309-F321 HydrophobicContact CG2-CD2 3.99Å
310	R	88.3	Confident	87.2	Confident	48 Å²	48	41.3 Å²	41.3	18%	0.181	17%	0.174	C	C	.	.	H	α-helix	trans	-54	-54.7	172	173.1	-175.5	172.2	-152.6	6	111.5	L306 Y312 G314 E315 D425 W426 D427	L306-R310 PolarHBondContact O-N 3.47Å; R310-Y312 PolarHBondContact O-N 3.39Å; R310-Y312 VanDerWaalsContact O-N 3.16Å; R310-G314 VanDerWaalsContact O-CA 3.27Å; R310-G314 WeakPolarHBondContact O-CA 3.3Å; R310-G314 PolarHBondContact O-N 3.39Å; R310-E315 HydrophobicContact CG-CG 3.96Å; R310-E315 IonicContact CZ-OE1 2.7Å; R310-E315 IonicContact NE-OE1 2.96Å; R310-E315 PolarHBondContact NE-OE1 3.01Å; R310-E315 IonicContact NH2-OE1 2.72Å; R310-E315 PolarHBondContact NH2-OE1 3.25Å; R310-D425 PolarHBondContact NH1-O 3.04Å; R310-W426 VanDerWaalsContact CD-CD1 3.49Å; R310-W426 VanDerWaalsContact CZ-CA 3.48Å; R310-W426 PolarHBondContact NH2-O 2.87Å; R310-D427 IonicContact CZ-OD2 2.81Å; R310-D427 IonicContact NH1-OD2 3.33Å; R310-D427 IonicContact NH2-OD2 2.75Å; R310-D427 PolarHBondContact NH2-OD2 2.74Å
311	R	86	Confident	87.8	Confident	116 Å²	116	34 Å²	34	44%	0.438	15%	0.146	S	C	.	.	H	α-helix	trans	-58.8	-28.8	-177.4	-76.4	175	-173	-157.8	5.2	113.3	A228 D307 L308	A228-R311 WeakPolarHBondContact CB-O 3.43Å; D307-R311 WeakPolarHBondContact O-CB 3.42Å; D307-R311 VanDerWaalsContact O-CG 3.22Å; D307-R311 WeakPolarHBondContact O-CG 3.35Å; D307-R311 PolarHBondContact O-N 3.33Å; L308-R311 PolarHBondContact O-N 2.6Å
312	Y	89.5	Confident	88.3	Confident	4 Å²	4	29.3 Å²	29.3	2%	0.016	13%	0.13	C	C	.	.	H	α-helix	trans	-96.3	-41.7	-177.2	-166.3	-93.9	0	0	0	114.7	H268 E269 H286 R287 L290 L308 I309 R310 R728	H268-Y312 AromaticContact ND1-CE1 3.82Å; H268-Y312 AromaticContact ND1-CZ 3.83Å; H268-Y312 PolarHBondContact ND1-OH 2.85Å; E269-Y312 HydrophobicContact CB-CE2 4.34Å; E269-Y312 HydrophobicContact CG-CE2 4.29Å; H286-Y312 HydrophobicContact CB-CD2 3.85Å; H286-Y312 HydrophobicContact CB-CE2 4.1Å; R287-Y312 HydrophobicContact CB-CE2 4.46Å; L290-Y312 HydrophobicContact CD1-CD1 3.78Å; L290-Y312 HydrophobicContact CD1-CD2 4.15Å; L290-Y312 HydrophobicContact CD1-CE1 4.48Å; L290-Y312 HydrophobicContact CD1-CG 3.58Å; L308-Y312 WeakPolarHBondContact O-CB 3.47Å; L308-Y312 PolarHBondContact O-N 2.68Å; L308-Y312 VanDerWaalsContact O-N 3.14Å; I309-Y312 PolarHBondContact O-N 2.98Å; R310-Y312 PolarHBondContact O-N 3.39Å; R310-Y312 VanDerWaalsContact O-N 3.16Å; Y312-R728 PolarHBondContact O-NE 3.07Å; Y312-R728 PolarHBondContact O-NH2 3.32Å
313	F	90.6	Very high	89	Confident	0 Å²	0	26.3 Å²	26.3	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-110.7	-10.8	-172.8	-68.8	-68.8	0	0	0	114.6	L290 W294 I309 I317 F722 V723 P729 P731	L290-F313 HydrophobicContact CD1-CE2 4.13Å; W294-F313 HydrophobicContact CZ3-CE2 4.18Å; I309-F313 HydrophobicContact CG2-CD2 4.23Å; I309-F313 WeakPolarHBondContact O-CB 3.45Å; I309-F313 PolarHBondContact O-N 3.38Å; F313-I317 HydrophobicContact CB-CB 4.01Å; F313-I317 HydrophobicContact CB-CD1 4Å; F313-I317 HydrophobicContact CB-CG2 3.88Å; F313-I317 HydrophobicContact CG-CG2 4.36Å; F313-F722 HydrophobicContact CE1-CB 4.42Å; F313-F722 HydrophobicContact CZ-CB 4.06Å; F313-V723 HydrophobicContact CE2-CG2 4.28Å; F313-V723 HydrophobicContact CZ-CG2 4.18Å; F313-P729 HydrophobicContact CD1-CG 3.84Å; F313-P729 HydrophobicContact CE1-CG 4.38Å; F313-P731 WeakPolarHBondContact O-CA 3.31Å
314	G	89.1	Confident	89.7	Confident	2 Å²	2	19.4 Å²	19.4	2%	0.021	9%	0.09	C	C	.	.			trans	91	164.3	-175.8	0	0	0	0	0	114.3	R310 K316 I317 G318	R310-G314 VanDerWaalsContact O-CA 3.27Å; R310-G314 WeakPolarHBondContact O-CA 3.3Å; R310-G314 PolarHBondContact O-N 3.39Å; G314-K316 PolarHBondContact O-N 3.18Å; G314-I317 PolarHBondContact O-N 3.32Å; G314-G318 PolarHBondContact O-N 2.75Å
315	E	87.8	Confident	90.1	Very high	24 Å²	24	19.1 Å²	19.1	11%	0.112	10%	0.095	C	C	.	.	H	α-helix	trans	-63.7	-37.8	-172.7	-69.6	73.5	-170.4	0	0	113	R310 I317 G318 L319 W426 L428 S732 Q733	R310-E315 HydrophobicContact CG-CG 3.96Å; R310-E315 IonicContact CZ-OE1 2.7Å; R310-E315 IonicContact NE-OE1 2.96Å; R310-E315 PolarHBondContact NE-OE1 3.01Å; R310-E315 IonicContact NH2-OE1 2.72Å; R310-E315 PolarHBondContact NH2-OE1 3.25Å; E315-I317 VanDerWaalsContact C-N 3.29Å; E315-I317 PolarHBondContact O-N 2.68Å; E315-G318 PolarHBondContact O-N 3.46Å; E315-L319 WeakPolarHBondContact O-CB 3.49Å; E315-L319 PolarHBondContact O-N 3.35Å; E315-W426 HydrophobicContact CB-CE3 4.38Å; E315-W426 HydrophobicContact CG-CB 4.41Å; E315-W426 HydrophobicContact CG-CE3 4.3Å; E315-L428 HydrophobicContact CB-CD1 4.2Å; E315-L428 HydrophobicContact CB-CD2 4.43Å; E315-L428 HydrophobicContact CG-CD1 4.11Å; E315-L428 HydrophobicContact CG-CD2 4.21Å; E315-L428 HydrophobicContact CG-CG 4.42Å; E315-S732 PolarHBondContact N-O 3.43Å; E315-Q733 WeakPolarHBondContact OE2-CG 3.26Å
316	K	88.3	Confident	90.2	Very high	48 Å²	48	21.5 Å²	21.5	21%	0.209	10%	0.101	C	C	.	.	H	α-helix	trans	-59.5	-38.5	-179.1	-164.5	179.4	-171.6	170.5	0	112.6	G314 Y320 E559 L679 S732 A734	G314-K316 PolarHBondContact O-N 3.18Å; K316-Y320 PolarHBondContact O-N 3.18Å; K316-E559 IonicContact NZ-OE1 3.52Å; K316-E559 PolarHBondContact NZ-OE1 3.47Å; K316-E559 IonicContact NZ-OE2 3.9Å; K316-E559 PolarHBondContact NZ-OE2 3.02Å; K316-L679 HydrophobicContact CG-CD1 4.07Å; K316-L679 WeakPolarHBondContact O-CD1 3.46Å; K316-S732 WeakPolarHBondContact CB-O 3.48Å; K316-S732 WeakPolarHBondContact CD-OG 3.44Å; K316-S732 PolarHBondContact N-O 2.97Å; K316-A734 HydrophobicContact CB-CB 4.06Å; K316-A734 HydrophobicContact CG-CB 3.92Å
317	I	91.8	Very high	90.5	Very high	4 Å²	4	20.4 Å²	20.4	2%	0.021	10%	0.096	C	C	.	.	H	α-helix	trans	-80.1	-41.2	176.2	-67.5	169.2	0	0	0	110.8	I309 F313 G314 E315 L319 Y320 F321 L679 F722 P729	I309-I317 HydrophobicContact CG2-CG2 4.37Å; F313-I317 HydrophobicContact CB-CB 4.01Å; F313-I317 HydrophobicContact CB-CD1 4Å; F313-I317 HydrophobicContact CB-CG2 3.88Å; F313-I317 HydrophobicContact CG-CG2 4.36Å; G314-I317 PolarHBondContact O-N 3.32Å; E315-I317 VanDerWaalsContact C-N 3.29Å; E315-I317 PolarHBondContact O-N 2.68Å; I317-L319 PolarHBondContact O-N 3.41Å; I317-Y320 PolarHBondContact O-N 2.71Å; I317-F321 HydrophobicContact CG2-CD2 3.89Å; I317-F321 HydrophobicContact CG2-CE2 3.71Å; I317-F321 VanDerWaalsContact O-CD2 3.29Å; I317-F321 WeakPolarHBondContact O-CD2 3.35Å; I317-F321 PolarHBondContact O-N 3.49Å; I317-L679 HydrophobicContact CG1-CD1 3.91Å; I317-L679 HydrophobicContact CG1-CD2 4.32Å; I317-L679 HydrophobicContact CG1-CG 4.38Å; I317-F722 HydrophobicContact CD1-CE1 3.95Å; I317-F722 HydrophobicContact CG1-CE1 4.41Å; I317-F722 HydrophobicContact CG2-CE1 4.39Å; I317-P729 HydrophobicContact CD1-CB 3.91Å; I317-P729 HydrophobicContact CD1-CG 3.3Å
318	G	92.1	Very high	90.9	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-55.3	-39.2	172.7	0	0	0	0	0	112.7	G314 E315 F321 A322	G314-G318 PolarHBondContact O-N 2.75Å; E315-G318 PolarHBondContact O-N 3.46Å; G318-F321 PolarHBondContact O-N 2.83Å; G318-A322 WeakPolarHBondContact O-CB 3.2Å; G318-A322 PolarHBondContact O-N 3.34Å
319	L	91.5	Very high	91.2	Very high	4 Å²	4	19.6 Å²	19.6	2%	0.021	10%	0.103	C	C	.	.	H	α-helix	trans	-70.5	-38.1	179.7	-168.6	67.6	0	0	0	112.9	E315 I317 A322 W323 W415 L422 W426 D736 I737	E315-L319 WeakPolarHBondContact O-CB 3.49Å; E315-L319 PolarHBondContact O-N 3.35Å; I317-L319 PolarHBondContact O-N 3.41Å; L319-A322 PolarHBondContact O-N 3.19Å; L319-W323 WeakPolarHBondContact O-CB 3.41Å; L319-W323 PolarHBondContact O-N 3.06Å; L319-W415 HydrophobicContact CD1-CH2 3.96Å; L319-W415 HydrophobicContact CD1-CZ2 4.06Å; L319-L422 HydrophobicContact CD1-CD1 4.32Å; L319-W426 HydrophobicContact CB-CZ3 4.02Å; L319-W426 HydrophobicContact CD1-CZ3 4.11Å; L319-D736 VanDerWaalsContact CD2-CA 3.44Å; L319-D736 VanDerWaalsContact CD2-O 3.32Å; L319-D736 WeakPolarHBondContact CD2-O 3.12Å; L319-I737 HydrophobicContact CD2-CG2 3.91Å; L319-I737 HydrophobicContact CG-CG2 4.15Å
320	Y	93.7	Very high	91.3	Very high	1 Å²	1	21.5 Å²	21.5	0%	0.004	11%	0.113	C	C	.	.	H	α-helix	trans	-57	-50.2	172.8	168.1	-104.2	0	0	0	110.8	K316 I317 A322 W323 L324 L679 E682 Y683 D718	K316-Y320 PolarHBondContact O-N 3.18Å; I317-Y320 PolarHBondContact O-N 2.71Å; Y320-A322 VanDerWaalsContact C-N 3.34Å; Y320-A322 PolarHBondContact O-N 3Å; Y320-W323 PolarHBondContact O-N 3.13Å; Y320-L324 HydrophobicContact CE1-CD2 4.15Å; Y320-L324 WeakPolarHBondContact O-CB 3.29Å; Y320-L324 PolarHBondContact O-N 3.35Å; Y320-L679 HydrophobicContact CD1-CD2 4.3Å; Y320-L679 HydrophobicContact CG-CD2 4.24Å; Y320-E682 HydrophobicContact CE1-CB 4.37Å; Y320-E682 HydrophobicContact CE2-CB 3.76Å; Y320-Y683 VanDerWaalsContact CA-OH 3.3Å; Y320-Y683 WeakPolarHBondContact CA-OH 3.04Å; Y320-Y683 AromaticContact CD2-CD1 3.98Å; Y320-Y683 HydrophobicContact CD2-CD1 3.98Å; Y320-Y683 HydrophobicContact CD2-CD2 4.05Å; Y320-Y683 AromaticContact CD2-CE1 3.82Å; Y320-Y683 HydrophobicContact CD2-CE1 3.82Å; Y320-Y683 AromaticContact CD2-CE2 3.89Å; Y320-Y683 HydrophobicContact CD2-CE2 3.89Å; Y320-Y683 HydrophobicContact CD2-CG 4.1Å; Y320-Y683 AromaticContact CD2-CZ 3.78Å; Y320-Y683 HydrophobicContact CE2-CD1 4.48Å; Y320-Y683 HydrophobicContact CE2-CG 4.5Å; Y320-Y683 HydrophobicContact CG-CE2 4.41Å; Y320-Y683 PolarHBondContact N-OH 3.26Å; Y320-D718 VanDerWaalsContact CE1-OD2 3.24Å; Y320-D718 WeakPolarHBondContact CE1-OD2 3.46Å; Y320-D718 PolarHBondContact OH-OD2 3.17Å
321	F	94	Very high	91.5	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-66.9	-33.3	177.8	-74.7	-63.7	0	0	0	113.6	W294 Q304 L306 I309 I317 G318 G325 D718 F722	W294-F321 HydrophobicContact CH2-CD2 4Å; W294-F321 HydrophobicContact CH2-CE1 4.24Å; W294-F321 AromaticContact CH2-CE2 3.6Å; W294-F321 HydrophobicContact CH2-CE2 3.6Å; W294-F321 HydrophobicContact CH2-CG 4.49Å; W294-F321 AromaticContact CH2-CZ 3.73Å; W294-F321 HydrophobicContact CH2-CZ 3.73Å; W294-F321 AromaticContact CZ2-CD1 3.69Å; W294-F321 HydrophobicContact CZ2-CD1 3.69Å; W294-F321 AromaticContact CZ2-CD2 3.73Å; W294-F321 HydrophobicContact CZ2-CD2 3.73Å; W294-F321 AromaticContact CZ2-CE1 3.6Å; W294-F321 HydrophobicContact CZ2-CE1 3.6Å; W294-F321 AromaticContact CZ2-CE2 3.64Å; W294-F321 HydrophobicContact CZ2-CE2 3.64Å; W294-F321 AromaticContact CZ2-CG 3.76Å; W294-F321 HydrophobicContact CZ2-CG 3.76Å; W294-F321 AromaticContact CZ2-CZ 3.58Å; W294-F321 HydrophobicContact CZ2-CZ 3.58Å; Q304-F321 PolarHBondContact NE2-O 3.48Å; L306-F321 HydrophobicContact CD2-CB 4.29Å; I309-F321 HydrophobicContact CD1-CB 4.5Å; I309-F321 HydrophobicContact CG2-CD2 3.99Å; I317-F321 HydrophobicContact CG2-CD2 3.89Å; I317-F321 HydrophobicContact CG2-CE2 3.71Å; I317-F321 VanDerWaalsContact O-CD2 3.29Å; I317-F321 WeakPolarHBondContact O-CD2 3.35Å; I317-F321 PolarHBondContact O-N 3.49Å; G318-F321 PolarHBondContact O-N 2.83Å; F321-G325 PolarHBondContact O-N 2.99Å; F321-D718 HydrophobicContact CE1-CB 3.61Å; F321-D718 HydrophobicContact CZ-CB 3.77Å; F321-F722 HydrophobicContact CE2-CD2 4.07Å; F321-F722 HydrophobicContact CE2-CE2 4.19Å; F321-F722 AromaticContact CZ-CD2 3.76Å; F321-F722 HydrophobicContact CZ-CD2 3.76Å; F321-F722 AromaticContact CZ-CE2 3.97Å; F321-F722 HydrophobicContact CZ-CE2 3.97Å
322	A	92.8	Very high	91.9	Very high	8 Å²	8	19.9 Å²	19.9	7%	0.066	11%	0.11	C	C	.	.	H	α-helix	trans	-65.8	-40.8	172.5	0	0	0	0	0	112.4	L306 G318 L319 Y320 W326 W415 L422 W426	L306-A322 HydrophobicContact CD1-CB 3.84Å; L306-A322 HydrophobicContact CD2-CB 4.01Å; G318-A322 WeakPolarHBondContact O-CB 3.2Å; G318-A322 PolarHBondContact O-N 3.34Å; L319-A322 PolarHBondContact O-N 3.19Å; Y320-A322 VanDerWaalsContact C-N 3.34Å; Y320-A322 PolarHBondContact O-N 3Å; A322-W326 VanDerWaalsContact O-CB 3.24Å; A322-W326 WeakPolarHBondContact O-CB 3.48Å; A322-W326 PolarHBondContact O-N 3.16Å; A322-W415 HydrophobicContact CB-CH2 4.43Å; A322-L422 HydrophobicContact CB-CD1 3.62Å; A322-W426 HydrophobicContact CB-CH2 4.27Å
323	W	94.5	Very high	92.1	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-69.1	-47.9	175.5	176.7	77.7	0	0	0	111.7	L319 Y320 G325 W326 Y327 F411 W415 Y683 M686 I687 I737 L744	L319-W323 WeakPolarHBondContact O-CB 3.41Å; L319-W323 PolarHBondContact O-N 3.06Å; Y320-W323 PolarHBondContact O-N 3.13Å; W323-G325 VanDerWaalsContact C-N 3.35Å; W323-G325 PolarHBondContact O-N 3.25Å; W323-W326 WeakPolarHBondContact O-CB 3.41Å; W323-W326 PolarHBondContact O-N 3.18Å; W323-W326 VanDerWaalsContact O-N 3.1Å; W323-Y327 HydrophobicContact CH2-CD1 4.07Å; W323-Y327 HydrophobicContact CZ2-CD1 4.43Å; W323-Y327 HydrophobicContact CZ3-CD1 4.46Å; W323-Y327 WeakPolarHBondContact O-CB 3.31Å; W323-Y327 PolarHBondContact O-N 3.49Å; W323-F411 HydrophobicContact CZ2-CZ 4.5Å; W323-F411 AromaticContact NE1-CZ 3.89Å; W323-W415 HydrophobicContact CB-CH2 3.64Å; W323-W415 HydrophobicContact CB-CZ2 3.7Å; W323-W415 HydrophobicContact CB-CZ3 4.2Å; W323-W415 AromaticContact CD1-CD2 3.78Å; W323-W415 AromaticContact CD1-CE2 3.51Å; W323-W415 AromaticContact CD1-CZ2 3.82Å; W323-W415 AromaticContact CD1-NE1 3.68Å; W323-W415 HydrophobicContact CG-CH2 4.42Å; W323-W415 HydrophobicContact CG-CZ2 4.15Å; W323-Y683 HydrophobicContact CD2-CE1 4.41Å; W323-Y683 HydrophobicContact CE3-CD1 4.15Å; W323-Y683 HydrophobicContact CE3-CE1 4.11Å; W323-Y683 HydrophobicContact CZ3-CD1 4.3Å; W323-M686 HydrophobicContact CH2-CB 3.56Å; W323-M686 HydrophobicContact CZ3-CB 3.45Å; W323-M686 VanDerWaalsContact CZ3-CB 3.45Å; W323-M686 HydrophobicContact CZ3-CG 4.07Å; W323-I687 HydrophobicContact CH2-CG1 3.93Å; W323-I687 HydrophobicContact CZ2-CG1 4.24Å; W323-I737 HydrophobicContact CB-CG2 4.44Å; W323-L744 HydrophobicContact CZ2-CD1 3.87Å; W323-L744 HydrophobicContact CZ2-CD2 4.44Å
324	L	93.3	Very high	92.3	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-61.5	-43.1	178.2	179.6	59	0	0	0	111.3	Y320 W326 Y327 T328 M686 I715	Y320-L324 HydrophobicContact CE1-CD2 4.15Å; Y320-L324 WeakPolarHBondContact O-CB 3.29Å; Y320-L324 PolarHBondContact O-N 3.35Å; L324-W326 VanDerWaalsContact C-N 3.34Å; L324-W326 PolarHBondContact O-N 3.46Å; L324-Y327 HydrophobicContact CD1-CD1 4.43Å; L324-Y327 PolarHBondContact O-N 3.34Å; L324-T328 WeakPolarHBondContact O-CB 3.37Å; L324-T328 PolarHBondContact O-N 2.93Å; L324-T328 PolarHBondContact O-OG1 3.21Å; L324-M686 HydrophobicContact CD1-CG 3.99Å; L324-M686 HydrophobicContact CD1-SD 3.49Å; L324-M686 WeakPolarHBondContact CD1-SD 3.37Å; L324-I715 HydrophobicContact CD1-CG1 4.49Å; L324-I715 HydrophobicContact CD2-CB 4.47Å; L324-I715 HydrophobicContact CD2-CG1 3.53Å; L324-I715 HydrophobicContact CG-CD1 4.2Å; L324-I715 HydrophobicContact CG-CG1 3.6Å
325	G	91.7	Very high	92.7	Very high	24 Å²	24	22.2 Å²	22.2	25%	0.247	13%	0.126	C	C	.	.	H	α-helix	trans	-62.3	-38.4	172.7	0	0	0	0	0	113.2	F321 W323 G329	F321-G325 PolarHBondContact O-N 2.99Å; W323-G325 VanDerWaalsContact C-N 3.35Å; W323-G325 PolarHBondContact O-N 3.25Å; G325-G329 PolarHBondContact O-N 3.19Å
326	W	91.3	Very high	93	Very high	66 Å²	66	23.6 Å²	23.6	25%	0.25	14%	0.136	C	C	.	.	H	α-helix	trans	-67.3	-47.5	176.2	-177.5	-102.2	0	0	0	112.6	A322 W323 L324 T328 G329 M330 F411 F414 W415 R418	A322-W326 VanDerWaalsContact O-CB 3.24Å; A322-W326 WeakPolarHBondContact O-CB 3.48Å; A322-W326 PolarHBondContact O-N 3.16Å; W323-W326 WeakPolarHBondContact O-CB 3.41Å; W323-W326 PolarHBondContact O-N 3.18Å; W323-W326 VanDerWaalsContact O-N 3.1Å; L324-W326 VanDerWaalsContact C-N 3.34Å; L324-W326 PolarHBondContact O-N 3.46Å; W326-T328 PolarHBondContact O-N 2.83Å; W326-G329 PolarHBondContact O-N 3.41Å; W326-M330 HydrophobicContact CH2-CE 3.68Å; W326-M330 HydrophobicContact CZ2-CE 3.35Å; W326-M330 HydrophobicContact CZ2-CG 4.09Å; W326-M330 PolarHBondContact O-N 3.49Å; W326-F411 AromaticContact CD1-CD2 3.98Å; W326-F411 AromaticContact CD1-CE2 3.7Å; W326-F411 AromaticContact NE1-CD2 3.93Å; W326-F414 HydrophobicContact CH2-CB 4.3Å; W326-F414 HydrophobicContact CZ2-CB 3.52Å; W326-F414 HydrophobicContact CZ2-CG 4.45Å; W326-W415 HydrophobicContact CB-CE3 3.93Å; W326-W415 HydrophobicContact CB-CZ3 3.98Å; W326-W415 AromaticContact CD1-CE3 3.6Å; W326-W415 HydrophobicContact CD2-CE3 4.5Å; W326-W415 AromaticContact CG-CE3 3.72Å; W326-W415 HydrophobicContact CG-CE3 3.72Å; W326-W415 HydrophobicContact CG-CZ3 4.23Å; W326-R418 HydrophobicContact CD2-CB 4.49Å; W326-R418 HydrophobicContact CD2-CG 4.42Å; W326-R418 HydrophobicContact CE3-CB 4.49Å; W326-R418 HydrophobicContact CE3-CG 4.13Å
327	Y	94.4	Very high	93.4	Very high	0 Å²	0	23 Å²	23	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-57.6	-46.2	175	172.6	-143.5	0	0	0	111.5	W323 L324 G329 M330 L331 W407 F411 Q689 F690 N711	W323-Y327 HydrophobicContact CH2-CD1 4.07Å; W323-Y327 HydrophobicContact CZ2-CD1 4.43Å; W323-Y327 HydrophobicContact CZ3-CD1 4.46Å; W323-Y327 WeakPolarHBondContact O-CB 3.31Å; W323-Y327 PolarHBondContact O-N 3.49Å; L324-Y327 HydrophobicContact CD1-CD1 4.43Å; L324-Y327 PolarHBondContact O-N 3.34Å; Y327-G329 PolarHBondContact O-N 2.99Å; Y327-M330 CarbonylContact O-C 3.58Å; Y327-M330 PolarHBondContact O-N 3.26Å; Y327-L331 HydrophobicContact CD2-CD1 4.05Å; Y327-L331 HydrophobicContact CD2-CG 3.93Å; Y327-L331 HydrophobicContact CE1-CD1 4.3Å; Y327-L331 HydrophobicContact CE2-CD1 3.62Å; Y327-L331 HydrophobicContact CE2-CD2 3.9Å; Y327-L331 HydrophobicContact CE2-CG 3.64Å; Y327-L331 WeakPolarHBondContact O-CG 3.49Å; Y327-L331 PolarHBondContact O-N 3.39Å; Y327-W407 HydrophobicContact CE2-CH2 4.26Å; Y327-F411 HydrophobicContact CD2-CE2 4.2Å; Y327-F411 HydrophobicContact CD2-CZ 4.09Å; Y327-F411 HydrophobicContact CG-CE2 4.47Å; Y327-F411 HydrophobicContact CG-CZ 4.34Å; Y327-Q689 PolarHBondContact OH-NE2 3.47Å; Y327-F690 AromaticContact CE2-CD2 3.87Å; Y327-F690 HydrophobicContact CE2-CD2 3.87Å; Y327-F690 WeakPolarHBondContact OH-CA 3.33Å; Y327-F690 PolarHBondContact OH-N 2.97Å; Y327-N711 WeakPolarHBondContact CD1-ND2 3.2Å; Y327-N711 WeakPolarHBondContact CE1-ND2 3.27Å
328	T	93.1	Very high	93.5	Very high	14 Å²	14	22.9 Å²	22.9	9%	0.086	14%	0.136	C	C	.	.	H	α-helix	trans	-62.4	-42.6	175.9	-49.7	0	0	0	0	112.4	L324 W326 M330 L331 L708 N711 I712 I715	L324-T328 WeakPolarHBondContact O-CB 3.37Å; L324-T328 PolarHBondContact O-N 2.93Å; L324-T328 PolarHBondContact O-OG1 3.21Å; W326-T328 PolarHBondContact O-N 2.83Å; T328-M330 VanDerWaalsContact C-N 3.33Å; T328-M330 PolarHBondContact O-N 3.4Å; T328-L331 PolarHBondContact O-N 3.04Å; T328-L708 HydrophobicContact CG2-CD1 3.89Å; T328-L708 WeakPolarHBondContact O-CD1 3.37Å; T328-N711 HydrophobicContact CG2-CB 3.78Å; T328-N711 VanDerWaalsContact OG1-CB 3.25Å; T328-N711 WeakPolarHBondContact OG1-CB 3.38Å; T328-N711 PolarHBondContact OG1-ND2 3.08Å; T328-I712 HydrophobicContact CG2-CG1 4.09Å; T328-I715 HydrophobicContact CG2-CD1 4.13Å; T328-I715 WeakPolarHBondContact OG1-CD1 3.36Å
329	G	91	Very high	93.7	Very high	48 Å²	48	26.1 Å²	26.1	50%	0.495	15%	0.153	S	C	.	.	H	α-helix	trans	-63.2	-37.1	175.3	0	0	0	0	0	113.1	G325 W326 Y327	G325-G329 PolarHBondContact O-N 3.19Å; W326-G329 PolarHBondContact O-N 3.41Å; Y327-G329 PolarHBondContact O-N 2.99Å
330	M	91.8	Very high	93.8	Very high	41 Å²	41	32.5 Å²	32.5	20%	0.202	18%	0.181	C	C	.	.	H	α-helix	trans	-79.9	-25.5	176.5	-78	-62.9	177.6	0	0	113.8	W326 Y327 T328 F332 P333 W407 F411	W326-M330 HydrophobicContact CH2-CE 3.68Å; W326-M330 HydrophobicContact CZ2-CE 3.35Å; W326-M330 HydrophobicContact CZ2-CG 4.09Å; W326-M330 PolarHBondContact O-N 3.49Å; Y327-M330 CarbonylContact O-C 3.58Å; Y327-M330 PolarHBondContact O-N 3.26Å; T328-M330 VanDerWaalsContact C-N 3.33Å; T328-M330 PolarHBondContact O-N 3.4Å; M330-F332 PolarHBondContact O-N 3.1Å; M330-P333 WeakPolarHBondContact O-CD 3.28Å; M330-P333 VanDerWaalsContact O-CG 3.28Å; M330-P333 WeakPolarHBondContact O-CG 3.07Å; M330-W407 HydrophobicContact CB-CZ2 4.21Å; M330-W407 PolarHBondContact O-NE1 3.34Å; M330-F411 HydrophobicContact CB-CD2 4Å; M330-F411 HydrophobicContact CG-CD2 4.23Å
331	L	94.2	Very high	93.8	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-64	-26.2	171.9	-82.2	173.4	0	0	0	112.7	Y327 T328 A334 A335 W407 P704 A707 L708	Y327-L331 HydrophobicContact CD2-CD1 4.05Å; Y327-L331 HydrophobicContact CD2-CG 3.93Å; Y327-L331 HydrophobicContact CE1-CD1 4.3Å; Y327-L331 HydrophobicContact CE2-CD1 3.62Å; Y327-L331 HydrophobicContact CE2-CD2 3.9Å; Y327-L331 HydrophobicContact CE2-CG 3.64Å; Y327-L331 WeakPolarHBondContact O-CG 3.49Å; Y327-L331 PolarHBondContact O-N 3.39Å; T328-L331 PolarHBondContact O-N 3.04Å; L331-A334 PolarHBondContact O-N 2.97Å; L331-A334 VanDerWaalsContact O-N 3.15Å; L331-A335 WeakPolarHBondContact O-CB 3.44Å; L331-A335 PolarHBondContact O-N 3.18Å; L331-W407 HydrophobicContact CD2-CH2 3.91Å; L331-W407 HydrophobicContact CD2-CZ2 4Å; L331-W407 HydrophobicContact CG-CZ2 4.32Å; L331-P704 HydrophobicContact CD2-CB 4.05Å; L331-A707 HydrophobicContact CD1-CB 4.01Å; L331-A707 HydrophobicContact CD2-CB 4.4Å; L331-L708 HydrophobicContact CB-CB 4.26Å; L331-L708 HydrophobicContact CB-CD1 4.08Å
332	F	93.4	Very high	93.7	Very high	129 Å²	129	34.9 Å²	34.9	57%	0.566	19%	0.192	S	C	*	.	H	α-helix	trans	-54.2	-56.5	-179.1	-176.7	-94.7	0	0	0	114.3	M330 A334 A335 V336 L708	M330-F332 PolarHBondContact O-N 3.1Å; F332-A334 VanDerWaalsContact C-N 3.28Å; F332-A334 PolarHBondContact O-N 3.23Å; F332-A335 PolarHBondContact O-N 3.13Å; F332-V336 HydrophobicContact CD1-CG2 4.38Å; F332-V336 HydrophobicContact CE1-CG2 3.98Å; F332-V336 HydrophobicContact CE2-CG2 4.36Å; F332-V336 HydrophobicContact CZ-CG2 3.97Å; F332-V336 WeakPolarHBondContact O-CG2 3.43Å; F332-V336 PolarHBondContact O-N 2.83Å; F332-L708 HydrophobicContact CD2-CD2 4.17Å
333	P	94.4	Very high	93.7	Very high	52 Å²	52	37.5 Å²	37.5	34%	0.338	21%	0.205	S	C	.	.	H	α-helix	trans	-61.5	-33.2	175.4	23.3	-34.8	0	0	0	113.4	M330 V336 V337	M330-P333 WeakPolarHBondContact O-CD 3.28Å; M330-P333 VanDerWaalsContact O-CG 3.28Å; M330-P333 WeakPolarHBondContact O-CG 3.07Å; P333-V336 PolarHBondContact O-N 3.43Å; P333-V337 WeakPolarHBondContact O-CG2 3.32Å; P333-V337 PolarHBondContact O-N 3.14Å
334	A	95.2	Very high	93.6	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-67.3	-42.7	176.8	0	0	0	0	0	112.4	L331 F332 V337 G338 F403 M404 W407 P704	L331-A334 PolarHBondContact O-N 2.97Å; L331-A334 VanDerWaalsContact O-N 3.15Å; F332-A334 VanDerWaalsContact C-N 3.28Å; F332-A334 PolarHBondContact O-N 3.23Å; A334-V337 PolarHBondContact O-N 3.48Å; A334-G338 PolarHBondContact O-N 3.01Å; A334-F403 HydrophobicContact CB-CE1 4.44Å; A334-M404 HydrophobicContact CB-CE 4.24Å; A334-M404 HydrophobicContact CB-SD 3.74Å; A334-W407 HydrophobicContact CB-CD2 4.21Å; A334-W407 HydrophobicContact CB-CG 4.33Å; A334-W407 HydrophobicContact CB-CZ2 4.44Å; A334-P704 HydrophobicContact CB-CB 3.84Å; A334-P704 HydrophobicContact CB-CG 4.25Å
335	A	95.9	Very high	93.5	Very high	4 Å²	4	43.3 Å²	43.3	3%	0.033	23%	0.227	C	C	.	.	H	α-helix	trans	-63.4	-39.7	174.4	0	0	0	0	0	112.1	L331 F332 L339 L705 L708	L331-A335 WeakPolarHBondContact O-CB 3.44Å; L331-A335 PolarHBondContact O-N 3.18Å; F332-A335 PolarHBondContact O-N 3.13Å; A335-L339 VanDerWaalsContact O-CB 3.26Å; A335-L339 WeakPolarHBondContact O-CB 3.46Å; A335-L339 PolarHBondContact O-N 2.89Å; A335-L705 HydrophobicContact CB-CB 4.07Å; A335-L705 HydrophobicContact CB-CD1 4.11Å; A335-L708 HydrophobicContact CB-CB 4.38Å; A335-L708 HydrophobicContact CB-CD2 3.78Å
336	V	95.7	Very high	93.4	Very high	53 Å²	53	45.3 Å²	45.3	32%	0.321	24%	0.235	S	C	.	.	H	α-helix	trans	-65	-47.6	176.9	169.1	0	0	0	0	111.5	F332 P333 L339 F340	F332-V336 HydrophobicContact CD1-CG2 4.38Å; F332-V336 HydrophobicContact CE1-CG2 3.98Å; F332-V336 HydrophobicContact CE2-CG2 4.36Å; F332-V336 HydrophobicContact CZ-CG2 3.97Å; F332-V336 WeakPolarHBondContact O-CG2 3.43Å; F332-V336 PolarHBondContact O-N 2.83Å; P333-V336 PolarHBondContact O-N 3.43Å; V336-L339 PolarHBondContact O-N 3.14Å; V336-F340 HydrophobicContact CG1-CD2 3.87Å; V336-F340 HydrophobicContact CG1-CE2 3.5Å; V336-F340 VanDerWaalsContact CG1-CE2 3.5Å; V336-F340 WeakPolarHBondContact O-CD2 3.47Å; V336-F340 PolarHBondContact O-N 2.92Å
337	V	95.6	Very high	93.4	Very high	36 Å²	36	49.5 Å²	49.5	22%	0.218	26%	0.255	C	S	.	.	H	α-helix	trans	-67.3	-41.7	177.9	178.9	0	0	0	0	111.1	P333 A334 L339 F340 V341 F399 F400 F403	P333-V337 WeakPolarHBondContact O-CG2 3.32Å; P333-V337 PolarHBondContact O-N 3.14Å; A334-V337 PolarHBondContact O-N 3.48Å; V337-L339 VanDerWaalsContact C-N 3.31Å; V337-L339 PolarHBondContact O-N 2.93Å; V337-F340 PolarHBondContact O-N 3.47Å; V337-V341 HydrophobicContact CG1-CG2 4.43Å; V337-V341 WeakPolarHBondContact O-CG2 3.48Å; V337-V341 PolarHBondContact O-N 3.1Å; V337-F399 HydrophobicContact CG1-CE1 4.37Å; V337-F400 HydrophobicContact CB-CD2 4.38Å; V337-F400 HydrophobicContact CB-CE2 4Å; V337-F400 HydrophobicContact CG1-CD2 3.71Å; V337-F400 HydrophobicContact CG1-CE2 3.84Å; V337-F403 HydrophobicContact CB-CD1 4.38Å; V337-F403 HydrophobicContact CB-CE1 3.98Å; V337-F403 HydrophobicContact CB-CZ 4.13Å; V337-F403 HydrophobicContact CG1-CD1 4.12Å; V337-F403 HydrophobicContact CG1-CE1 4.22Å; V337-F403 HydrophobicContact CG1-CG 4.36Å; V337-F403 HydrophobicContact CG2-CE1 4.19Å; V337-F403 HydrophobicContact CG2-CE2 4.1Å; V337-F403 HydrophobicContact CG2-CZ 3.8Å
338	G	94.6	Very high	93.1	Very high	1 Å²	1	50.5 Å²	50.5	1%	0.01	26%	0.261	C	S	.	.	H	α-helix	trans	-61.1	-38.1	175.9	0	0	0	0	0	113.1	A334 V341 F342 F400 P701	A334-G338 PolarHBondContact O-N 3.01Å; G338-V341 PolarHBondContact O-N 3.43Å; G338-F342 WeakPolarHBondContact O-CB 3.37Å; G338-F342 PolarHBondContact O-N 2.89Å; G338-F400 VanDerWaalsContact N-CE2 3.33Å; G338-P701 WeakPolarHBondContact CA-O 3.14Å
339	L	94.8	Very high	92.8	Very high	68 Å²	68	51.6 Å²	51.6	36%	0.356	27%	0.266	S	S	.	.	H	α-helix	trans	-66.3	-41.8	173.2	-179.1	61.4	0	0	0	112.2	A335 V336 V337 V341 F342 L343 L702 L705	A335-L339 VanDerWaalsContact O-CB 3.26Å; A335-L339 WeakPolarHBondContact O-CB 3.46Å; A335-L339 PolarHBondContact O-N 2.89Å; V336-L339 PolarHBondContact O-N 3.14Å; V337-L339 VanDerWaalsContact C-N 3.31Å; V337-L339 PolarHBondContact O-N 2.93Å; L339-V341 VanDerWaalsContact C-N 3.34Å; L339-V341 PolarHBondContact O-N 3.27Å; L339-F342 PolarHBondContact O-N 3.47Å; L339-L343 HydrophobicContact CD1-CD1 4.33Å; L339-L343 HydrophobicContact CD1-CG 4.29Å; L339-L343 HydrophobicContact CG-CD1 4.08Å; L339-L343 HydrophobicContact CG-CG 4.47Å; L339-L343 WeakPolarHBondContact O-CB 3.05Å; L339-L343 VanDerWaalsContact O-CG 3.29Å; L339-L343 WeakPolarHBondContact O-CG 3.23Å; L339-L343 PolarHBondContact O-N 3.23Å; L339-L702 HydrophobicContact CD1-CD2 4.37Å; L339-L705 HydrophobicContact CD1-CD2 4.43Å
340	F	94.5	Very high	92.4	Very high	137 Å²	137	57.2 Å²	57.2	60%	0.601	28%	0.28	S	S	*	.	H	α-helix	trans	-63.4	-39.2	174.6	-76.3	-55.6	0	0	0	112.5	V336 V337 L343 Y344	V336-F340 HydrophobicContact CG1-CD2 3.87Å; V336-F340 HydrophobicContact CG1-CE2 3.5Å; V336-F340 VanDerWaalsContact CG1-CE2 3.5Å; V336-F340 WeakPolarHBondContact O-CD2 3.47Å; V336-F340 PolarHBondContact O-N 2.92Å; V337-F340 PolarHBondContact O-N 3.47Å; F340-L343 PolarHBondContact O-N 2.84Å; F340-Y344 WeakPolarHBondContact O-CB 3.41Å; F340-Y344 PolarHBondContact O-N 3.28Å
341	V	93.7	Very high	91.9	Very high	8 Å²	8	61.1 Å²	61.1	5%	0.048	30%	0.297	C	S	.	.	H	α-helix	trans	-66.5	-37.6	176.4	169.1	0	0	0	0	111.7	V337 G338 L339 G345 A396 T397 F400 P701	V337-V341 HydrophobicContact CG1-CG2 4.43Å; V337-V341 WeakPolarHBondContact O-CG2 3.48Å; V337-V341 PolarHBondContact O-N 3.1Å; G338-V341 PolarHBondContact O-N 3.43Å; L339-V341 VanDerWaalsContact C-N 3.34Å; L339-V341 PolarHBondContact O-N 3.27Å; V341-G345 PolarHBondContact O-N 2.93Å; V341-A396 HydrophobicContact CG1-CB 4.11Å; V341-A396 HydrophobicContact CG2-CB 4.24Å; V341-T397 HydrophobicContact CG1-CG2 3.74Å; V341-F400 HydrophobicContact CG1-CB 4.31Å; V341-F400 HydrophobicContact CG2-CB 4.16Å; V341-F400 HydrophobicContact CG2-CD2 4.36Å; V341-F400 HydrophobicContact CG2-CG 4.4Å; V341-P701 HydrophobicContact CG1-CB 4.15Å; V341-P701 HydrophobicContact CG1-CG 4.14Å
342	F	92.3	Very high	91.4	Very high	44 Å²	44	61.7 Å²	61.7	19%	0.193	30%	0.301	C	S	.	.	H	α-helix	trans	-66.3	-47.3	172	178.6	-98.4	0	0	0	112.1	G338 L339 Y344 G345 V346 L391 F392 L702	G338-F342 WeakPolarHBondContact O-CB 3.37Å; G338-F342 PolarHBondContact O-N 2.89Å; L339-F342 PolarHBondContact O-N 3.47Å; F342-Y344 VanDerWaalsContact C-N 3.31Å; F342-Y344 PolarHBondContact O-N 2.87Å; F342-G345 CarbonylContact O-C 3.58Å; F342-G345 WeakPolarHBondContact O-CA 3.48Å; F342-G345 PolarHBondContact O-N 3.24Å; F342-V346 HydrophobicContact CD1-CG2 4.35Å; F342-V346 HydrophobicContact CE1-CG2 4.03Å; F342-V346 HydrophobicContact CZ-CG2 4.42Å; F342-V346 PolarHBondContact O-N 2.9Å; F342-L391 HydrophobicContact CD2-CD1 3.85Å; F342-L391 HydrophobicContact CD2-CG 4.05Å; F342-L391 HydrophobicContact CE2-CD1 3.65Å; F342-L391 HydrophobicContact CE2-CD2 3.59Å; F342-L391 HydrophobicContact CE2-CG 3.59Å; F342-L391 HydrophobicContact CG-CD1 4.44Å; F342-L391 HydrophobicContact CZ-CD1 4.06Å; F342-L391 HydrophobicContact CZ-CD2 3.89Å; F342-L391 HydrophobicContact CZ-CG 4.25Å; F342-F392 HydrophobicContact CD2-CD1 4.3Å; F342-F392 AromaticContact CD2-CE1 3.73Å; F342-F392 HydrophobicContact CD2-CE1 3.73Å; F342-F392 HydrophobicContact CE2-CD1 4.48Å; F342-F392 AromaticContact CE2-CE1 3.6Å; F342-F392 HydrophobicContact CE2-CE1 3.6Å; F342-F392 AromaticContact CE2-CZ 3.97Å; F342-F392 HydrophobicContact CE2-CZ 3.97Å; F342-L702 HydrophobicContact CB-CD2 3.75Å; F342-L702 HydrophobicContact CB-CG 4.15Å; F342-L702 HydrophobicContact CD1-CD1 4.26Å; F342-L702 HydrophobicContact CD1-CD2 4.2Å; F342-L702 HydrophobicContact CD2-CD1 3.65Å; F342-L702 HydrophobicContact CD2-CD2 4.26Å; F342-L702 HydrophobicContact CD2-CG 3.86Å; F342-L702 HydrophobicContact CE1-CD1 4.3Å; F342-L702 HydrophobicContact CE2-CD1 3.68Å; F342-L702 HydrophobicContact CE2-CG 4.4Å; F342-L702 HydrophobicContact CG-CD1 3.94Å; F342-L702 HydrophobicContact CG-CD2 3.82Å; F342-L702 HydrophobicContact CG-CG 3.95Å; F342-L702 HydrophobicContact CZ-CD1 4.01Å
343	L	92.6	Very high	90.9	Very high	63 Å²	63	56.2 Å²	56.2	33%	0.33	28%	0.28	S	S	.	.	H	α-helix	trans	-61.4	-37.9	177.2	-72	170.6	0	0	0	112.1	L339 F340 G345 V346 F347	L339-L343 HydrophobicContact CD1-CD1 4.33Å; L339-L343 HydrophobicContact CD1-CG 4.29Å; L339-L343 HydrophobicContact CG-CD1 4.08Å; L339-L343 HydrophobicContact CG-CG 4.47Å; L339-L343 WeakPolarHBondContact O-CB 3.05Å; L339-L343 VanDerWaalsContact O-CG 3.29Å; L339-L343 WeakPolarHBondContact O-CG 3.23Å; L339-L343 PolarHBondContact O-N 3.23Å; F340-L343 PolarHBondContact O-N 2.84Å; L343-G345 VanDerWaalsContact C-N 3.31Å; L343-G345 PolarHBondContact O-N 3.24Å; L343-V346 WeakPolarHBondContact O-CB 3.49Å; L343-V346 PolarHBondContact O-N 3.24Å; L343-V346 VanDerWaalsContact O-N 3.12Å; L343-F347 HydrophobicContact CB-CD2 4.46Å; L343-F347 HydrophobicContact CB-CE2 4.13Å; L343-F347 WeakPolarHBondContact O-CD2 3.43Å; L343-F347 PolarHBondContact O-N 2.72Å
344	Y	92.6	Very high	90.4	Very high	121 Å²	121	54.8 Å²	54.8	48%	0.475	27%	0.27	S	S	.	.	H	α-helix	trans	-59	-41.8	170.6	176.8	-96	0	0	0	112	F340 F342 V346 F347 T348 A396	F340-Y344 WeakPolarHBondContact O-CB 3.41Å; F340-Y344 PolarHBondContact O-N 3.28Å; F342-Y344 VanDerWaalsContact C-N 3.31Å; F342-Y344 PolarHBondContact O-N 2.87Å; Y344-V346 VanDerWaalsContact C-N 3.31Å; Y344-V346 PolarHBondContact O-N 2.88Å; Y344-F347 PolarHBondContact O-N 2.8Å; Y344-T348 HydrophobicContact CD1-CG2 4.5Å; Y344-T348 HydrophobicContact CD2-CG2 4.25Å; Y344-T348 HydrophobicContact CE1-CG2 4.07Å; Y344-T348 HydrophobicContact CE2-CG2 3.8Å; Y344-T348 WeakPolarHBondContact O-CB 3.42Å; Y344-T348 WeakPolarHBondContact O-CG2 3.49Å; Y344-T348 PolarHBondContact O-N 3.39Å; Y344-T348 PolarHBondContact O-OG1 3.38Å; Y344-A396 HydrophobicContact CD1-CB 3.81Å; Y344-A396 HydrophobicContact CE1-CB 4.13Å; Y344-A396 HydrophobicContact CG-CB 4.49Å
345	G	90.4	Very high	90.1	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-62.6	-31.7	172.7	0	0	0	0	0	114.1	V341 F342 L343	V341-G345 PolarHBondContact O-N 2.93Å; F342-G345 CarbonylContact O-C 3.58Å; F342-G345 WeakPolarHBondContact O-CA 3.48Å; F342-G345 PolarHBondContact O-N 3.24Å; L343-G345 VanDerWaalsContact C-N 3.31Å; L343-G345 PolarHBondContact O-N 3.24Å
346	V	91	Very high	89.7	Confident	67 Å²	67	60.7 Å²	60.7	41%	0.406	30%	0.295	S	S	.	.	H	α-helix	trans	-70.1	-52.2	171.9	-179.8	0	0	0	0	110.8	F342 L343 Y344 T348 L349 L391	F342-V346 HydrophobicContact CD1-CG2 4.35Å; F342-V346 HydrophobicContact CE1-CG2 4.03Å; F342-V346 HydrophobicContact CZ-CG2 4.42Å; F342-V346 PolarHBondContact O-N 2.9Å; L343-V346 WeakPolarHBondContact O-CB 3.49Å; L343-V346 PolarHBondContact O-N 3.24Å; L343-V346 VanDerWaalsContact O-N 3.12Å; Y344-V346 VanDerWaalsContact C-N 3.31Å; Y344-V346 PolarHBondContact O-N 2.88Å; V346-T348 VanDerWaalsContact C-N 3.28Å; V346-T348 PolarHBondContact O-N 2.95Å; V346-L349 WeakPolarHBondContact O-CB 3.28Å; V346-L349 PolarHBondContact O-N 2.91Å; V346-L391 HydrophobicContact CB-CD1 4.41Å; V346-L391 HydrophobicContact CG2-CD1 3.51Å
347	F	90.8	Very high	89.3	Confident	153 Å²	153	59.6 Å²	59.6	67%	0.671	29%	0.287	S	S	*	.	H	α-helix	trans	-66	-27.2	-176.5	-66.1	-56.2	0	0	0	113.6	L343 Y344	L343-F347 HydrophobicContact CB-CD2 4.46Å; L343-F347 HydrophobicContact CB-CE2 4.13Å; L343-F347 WeakPolarHBondContact O-CD2 3.43Å; L343-F347 PolarHBondContact O-N 2.72Å; Y344-F347 PolarHBondContact O-N 2.8Å
348	T	88.1	Confident	88.9	Confident	21 Å²	21	58.8 Å²	58.8	13%	0.129	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.4	0.6	177.1	54.3	0	0	0	0	114.1	Y344 V346 E350 H351 C352	Y344-T348 HydrophobicContact CD1-CG2 4.5Å; Y344-T348 HydrophobicContact CD2-CG2 4.25Å; Y344-T348 HydrophobicContact CE1-CG2 4.07Å; Y344-T348 HydrophobicContact CE2-CG2 3.8Å; Y344-T348 WeakPolarHBondContact O-CB 3.42Å; Y344-T348 WeakPolarHBondContact O-CG2 3.49Å; Y344-T348 PolarHBondContact O-N 3.39Å; Y344-T348 PolarHBondContact O-OG1 3.38Å; V346-T348 VanDerWaalsContact C-N 3.28Å; V346-T348 PolarHBondContact O-N 2.95Å; T348-E350 PolarHBondContact O-N 3.45Å; T348-H351 PolarHBondContact O-N 3.34Å; T348-C352 PolarHBondContact O-N 3.22Å
349	L	85.9	Confident	88.7	Confident	38 Å²	38	60.5 Å²	60.5	20%	0.199	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-34	-172.6	-168.8	146.2	0	0	0	113.7	V346 K387	V346-L349 WeakPolarHBondContact O-CB 3.28Å; V346-L349 PolarHBondContact O-N 2.91Å; L349-K387 HydrophobicContact CD1-CB 4.35Å; L349-K387 HydrophobicContact CD2-CB 4.33Å; L349-K387 HydrophobicContact CD2-CD 4.09Å; L349-K387 HydrophobicContact CD2-CG 4.07Å
350	E	82.1	Confident	88.4	Confident	166 Å²	166	63.6 Å²	63.6	78%	0.776	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.7	-22.8	179.2	-59	-164.5	154.6	0	0	113.7	T348	T348-E350 PolarHBondContact O-N 3.45Å
351	H	81.6	Confident	87.9	Confident	123 Å²	123	58 Å²	58	57%	0.569	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.2	-17.1	179.3	-62.8	-64.4	0	0	0	113.1	T348 A353	T348-H351 PolarHBondContact O-N 3.34Å; H351-A353 PolarHBondContact O-N 2.9Å; H351-A353 VanDerWaalsContact O-N 3.08Å
352	C	83.3	Confident	87.3	Confident	12 Å²	12	61 Å²	61	8%	0.081	30%	0.303	C	S	.	.			trans	-64.3	108.7	-178.9	-172.5	0	0	0	0	113.3	T348 V354 S355 K356 H390	T348-C352 PolarHBondContact O-N 3.22Å; C352-V354 VanDerWaalsContact C-N 3.28Å; C352-V354 PolarHBondContact O-N 3.25Å; C352-S355 PolarHBondContact O-N 3.44Å; C352-S355 PolarHBondContact O-OG 3.42Å; C352-S355 VanDerWaalsContact O-OG 3.14Å; C352-K356 WeakPolarHBondContact O-CB 3.39Å; C352-K356 PolarHBondContact O-N 2.79Å; C352-K356 VanDerWaalsContact O-N 3.17Å; C352-H390 PolarHBondContact SG-CD2 3.23Å; C352-H390 PolarHBondContact SG-NE2 3.05Å; C352-H390 VanDerWaalsContact SG-NE2 3.41Å
353	A	83.8	Confident	87	Confident	14 Å²	14	65.7 Å²	65.7	12%	0.116	33%	0.33	C	S	.	.	H	α-helix	trans	-55	-39.9	175.6	0	0	0	0	0	113.2	H351 K356 E357 M789 M790	H351-A353 PolarHBondContact O-N 2.9Å; H351-A353 VanDerWaalsContact O-N 3.08Å; A353-K356 PolarHBondContact O-N 2.95Å; A353-E357 WeakPolarHBondContact O-CB 3.48Å; A353-E357 WeakPolarHBondContact O-CG 3.42Å; A353-E357 PolarHBondContact O-N 3.1Å; A353-M789 HydrophobicContact CB-CB 4.15Å; A353-M790 HydrophobicContact CB-SD 3.98Å
354	V	84.9	Confident	86.7	Confident	21 Å²	21	63.7 Å²	63.7	13%	0.127	32%	0.321	C	S	.	.	H	α-helix	trans	-69.7	-40.9	-175.5	-178.9	0	0	0	0	112.4	C352 K356 I358 M789 Y792 V793	C352-V354 VanDerWaalsContact C-N 3.28Å; C352-V354 PolarHBondContact O-N 3.25Å; V354-K356 VanDerWaalsContact C-N 3.34Å; V354-I358 HydrophobicContact CG1-CD1 4.26Å; V354-I358 WeakPolarHBondContact O-CG1 3.47Å; V354-I358 PolarHBondContact O-N 3.31Å; V354-I358 VanDerWaalsContact O-N 3.15Å; V354-M789 HydrophobicContact CG2-CE 4.05Å; V354-Y792 HydrophobicContact CB-CD1 4.45Å; V354-Y792 HydrophobicContact CG1-CD1 3.86Å; V354-Y792 HydrophobicContact CG1-CE1 4.1Å; V354-Y792 HydrophobicContact CG2-CD1 3.7Å; V354-Y792 HydrophobicContact CG2-CE1 4.4Å; V354-Y792 HydrophobicContact CG2-CG 4.32Å; V354-V793 HydrophobicContact CG1-CG2 3.92Å
355	S	87.1	Confident	86.6	Confident	8 Å²	8	59.4 Å²	59.4	6%	0.056	31%	0.306	C	S	.	.	H	α-helix	trans	-68.5	-38	175.7	71	0	0	0	0	110.7	C352 I358 C359	C352-S355 PolarHBondContact O-N 3.44Å; C352-S355 PolarHBondContact O-OG 3.42Å; C352-S355 VanDerWaalsContact O-OG 3.14Å; S355-I358 PolarHBondContact O-N 3.42Å; S355-C359 WeakPolarHBondContact O-CB 3.29Å; S355-C359 PolarHBondContact O-N 3.44Å; S355-C359 PolarHBondContact O-SG 3.42Å
356	K	88.1	Confident	86.4	Confident	120 Å²	120	59.9 Å²	59.9	52%	0.522	31%	0.308	S	S	.	.	H	α-helix	trans	-62.9	-46.2	175.7	-172	173.7	-179.8	176.7	0	112.2	C352 A353 V354 C359 Q360	C352-K356 WeakPolarHBondContact O-CB 3.39Å; C352-K356 PolarHBondContact O-N 2.79Å; C352-K356 VanDerWaalsContact O-N 3.17Å; A353-K356 PolarHBondContact O-N 2.95Å; V354-K356 VanDerWaalsContact C-N 3.34Å; K356-C359 PolarHBondContact O-N 2.88Å; K356-Q360 WeakPolarHBondContact O-CB 3.02Å; K356-Q360 VanDerWaalsContact O-CG 3.31Å; K356-Q360 WeakPolarHBondContact O-CG 3.47Å; K356-Q360 PolarHBondContact O-N 2.86Å
357	E	87.9	Confident	86.3	Confident	30 Å²	30	57.3 Å²	57.3	14%	0.14	29%	0.292	C	S	.	.	H	α-helix	trans	-57.1	-49.7	173.8	-80.6	178.6	-166.2	0	0	111.8	A353 C359 Q360 A361 M790 G791 Y792 V793	A353-E357 WeakPolarHBondContact O-CB 3.48Å; A353-E357 WeakPolarHBondContact O-CG 3.42Å; A353-E357 PolarHBondContact O-N 3.1Å; E357-C359 VanDerWaalsContact C-N 3.33Å; E357-C359 PolarHBondContact O-N 3.07Å; E357-Q360 PolarHBondContact O-N 3.39Å; E357-Q360 VanDerWaalsContact O-N 3.14Å; E357-A361 VanDerWaalsContact O-CB 3.27Å; E357-A361 WeakPolarHBondContact O-CB 3.33Å; E357-A361 PolarHBondContact O-N 2.82Å; E357-M790 WeakPolarHBondContact OE1-CA 3.49Å; E357-G791 PolarHBondContact OE1-N 3.44Å; E357-Y792 PolarHBondContact OE2-N 3.11Å; E357-V793 HydrophobicContact CB-CB 4.06Å; E357-V793 HydrophobicContact CB-CG2 3.6Å; E357-V793 VanDerWaalsContact OE2-CB 3.28Å; E357-V793 WeakPolarHBondContact OE2-CB 3.24Å; E357-V793 VanDerWaalsContact OE2-CG2 3.27Å; E357-V793 WeakPolarHBondContact OE2-CG2 3.36Å; E357-V793 PolarHBondContact OE2-N 3Å
358	I	87.8	Confident	85.9	Confident	19 Å²	19	50 Å²	50	10%	0.097	26%	0.261	C	S	.	.	H	α-helix	trans	-58.7	-44	177.8	-70.7	166.8	0	0	0	111.5	V354 S355 Q360 L379 A386 V793	V354-I358 HydrophobicContact CG1-CD1 4.26Å; V354-I358 WeakPolarHBondContact O-CG1 3.47Å; V354-I358 PolarHBondContact O-N 3.31Å; V354-I358 VanDerWaalsContact O-N 3.15Å; S355-I358 PolarHBondContact O-N 3.42Å; I358-Q360 VanDerWaalsContact C-N 3.3Å; I358-Q360 PolarHBondContact O-N 3.34Å; I358-L379 HydrophobicContact CG1-CD2 4.48Å; I358-L379 HydrophobicContact CG1-CG 4.49Å; I358-L379 HydrophobicContact CG2-CD1 4.44Å; I358-L379 HydrophobicContact CG2-CG 4.22Å; I358-A386 HydrophobicContact CB-CB 4.19Å; I358-A386 HydrophobicContact CD1-CB 3.68Å; I358-A386 HydrophobicContact CG2-CB 3.76Å; I358-V793 HydrophobicContact CD1-CG2 4.45Å; I358-V793 HydrophobicContact CG1-CG1 4.2Å; I358-V793 HydrophobicContact CG1-CG2 3.9Å
359	C	88.7	Confident	85.4	Confident	38 Å²	38	50.9 Å²	50.9	26%	0.257	26%	0.264	S	S	.	.	H	α-helix	trans	-71.8	-19.4	179.4	-64.1	0	0	0	0	114.1	S355 K356 E357 C383	S355-C359 WeakPolarHBondContact O-CB 3.29Å; S355-C359 PolarHBondContact O-N 3.44Å; S355-C359 PolarHBondContact O-SG 3.42Å; K356-C359 PolarHBondContact O-N 2.88Å; E357-C359 VanDerWaalsContact C-N 3.33Å; E357-C359 PolarHBondContact O-N 3.07Å; C359-C383 HydrophobicContact CB-CB 3.87Å; C359-C383 WeakPolarHBondContact CB-SG 3.42Å; C359-C383 VanDerWaalsContact SG-CA 3.6Å; C359-C383 WeakPolarHBondContact SG-CB 3.49Å; C359-C383 CovalentContact SG-SG 2.04Å; C359-C383 PolarHBondContact SG-SG 3Å
360	Q	89.3	Confident	84.9	Confident	132 Å²	132	50 Å²	50	62%	0.617	26%	0.26	S	S	*	.	H	α-helix	trans	-97.3	-13.4	177.9	-70.6	-175	-52.8	0	0	113.5	K356 E357 I358 T362	K356-Q360 WeakPolarHBondContact O-CB 3.02Å; K356-Q360 VanDerWaalsContact O-CG 3.31Å; K356-Q360 WeakPolarHBondContact O-CG 3.47Å; K356-Q360 PolarHBondContact O-N 2.86Å; E357-Q360 PolarHBondContact O-N 3.39Å; E357-Q360 VanDerWaalsContact O-N 3.14Å; I358-Q360 VanDerWaalsContact C-N 3.3Å; I358-Q360 PolarHBondContact O-N 3.34Å; Q360-T362 VanDerWaalsContact C-N 3.3Å; Q360-T362 PolarHBondContact O-N 3.21Å
361	A	83.3	Confident	84.8	Confident	20 Å²	20	43.8 Å²	43.8	17%	0.165	23%	0.233	C	C	.	.			trans	-82.9	60.9	-171.9	0	0	0	0	0	114.3	E357 D363 T364 L379	E357-A361 VanDerWaalsContact O-CB 3.27Å; E357-A361 WeakPolarHBondContact O-CB 3.33Å; E357-A361 PolarHBondContact O-N 2.82Å; A361-D363 PolarHBondContact O-N 2.98Å; A361-T364 HydrophobicContact CB-CG2 4.17Å; A361-T364 WeakPolarHBondContact CB-OG1 3.2Å; A361-T364 PolarHBondContact O-N 3.33Å; A361-T364 PolarHBondContact O-OG1 2.97Å; A361-T364 VanDerWaalsContact O-OG1 3.07Å; A361-L379 HydrophobicContact CB-CB 4.39Å; A361-L379 HydrophobicContact CB-CD2 4.12Å
362	T	82.6	Confident	84.5	Confident	70 Å²	70	41 Å²	41	43%	0.429	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.7	-38.2	176.3	45.3	0	0	0	0	113.5	Q360 T364	Q360-T362 VanDerWaalsContact C-N 3.3Å; Q360-T362 PolarHBondContact O-N 3.21Å; T362-T364 VanDerWaalsContact C-N 3.32Å; T362-T364 PolarHBondContact O-N 3.17Å
363	D	85.2	Confident	84	Confident	144 Å²	144	45.3 Å²	45.3	77%	0.77	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.9	-3.6	-167.1	-47.9	-12.7	0	0	0	112.2	A361 I365	A361-D363 PolarHBondContact O-N 2.98Å; D363-I365 PolarHBondContact O-N 3.01Å
364	T	87.1	Confident	83.6	Confident	21 Å²	21	45.6 Å²	45.6	13%	0.129	24%	0.236	C	C	.	.			trans	-94	102.7	-177.4	63.9	0	0	0	0	111.5	A361 T362 L379	A361-T364 HydrophobicContact CB-CG2 4.17Å; A361-T364 WeakPolarHBondContact CB-OG1 3.2Å; A361-T364 PolarHBondContact O-N 3.33Å; A361-T364 PolarHBondContact O-OG1 2.97Å; A361-T364 VanDerWaalsContact O-OG1 3.07Å; T362-T364 VanDerWaalsContact C-N 3.32Å; T362-T364 PolarHBondContact O-N 3.17Å; T364-L379 PolarHBondContact O-N 3.38Å; T364-L379 WeakPolarHBondContact OG1-CB 3.33Å; T364-L379 WeakPolarHBondContact OG1-CD2 3.4Å
365	I	89.1	Confident	83.4	Confident	31 Å²	31	48 Å²	48	16%	0.159	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	123.5	-179.5	-49.2	-175.1	0	0	0	110	D363 Y376 F819 V823 R827	D363-I365 PolarHBondContact O-N 3.01Å; I365-Y376 HydrophobicContact CG2-CD1 4.12Å; I365-Y376 HydrophobicContact CG2-CG 4.22Å; I365-F819 HydrophobicContact CB-CZ 4.46Å; I365-F819 HydrophobicContact CD1-CD1 3.54Å; I365-F819 HydrophobicContact CD1-CD2 4.4Å; I365-F819 HydrophobicContact CD1-CE1 3.66Å; I365-F819 HydrophobicContact CD1-CG 3.92Å; I365-F819 HydrophobicContact CD1-CZ 4.16Å; I365-F819 HydrophobicContact CG1-CD1 4.01Å; I365-F819 HydrophobicContact CG1-CE1 3.59Å; I365-F819 HydrophobicContact CG1-CZ 4Å; I365-F819 HydrophobicContact CG2-CE1 4.38Å; I365-F819 HydrophobicContact CG2-CE2 4.14Å; I365-F819 HydrophobicContact CG2-CZ 3.9Å; I365-V823 HydrophobicContact CD1-CG1 4.19Å; I365-V823 HydrophobicContact CD1-CG2 3.93Å; I365-V823 HydrophobicContact CG2-CG1 4.08Å; I365-V823 HydrophobicContact CG2-CG2 4.41Å; I365-R827 PolarHBondContact O-N 3.33Å
366	M	87.8	Confident	83.2	Confident	10 Å²	10	47.9 Å²	47.9	5%	0.049	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	144.9	174.3	-64.7	-62.3	108.4	0	0	111.3	L377 L379 L797 R827	M366-L377 HydrophobicContact CB-CB 4.42Å; M366-L377 PolarHBondContact N-O 2.93Å; M366-L379 HydrophobicContact CE-CB 4.19Å; M366-L379 HydrophobicContact CE-CD1 4.33Å; M366-L379 HydrophobicContact CE-CD2 4.23Å; M366-L379 HydrophobicContact CE-CG 4.49Å; M366-L379 HydrophobicContact CG-CD1 4.42Å; M366-L379 HydrophobicContact SD-CD1 4.26Å; M366-L797 HydrophobicContact CE-CD1 3.93Å; M366-L797 HydrophobicContact CE-CD2 4.12Å; M366-L797 HydrophobicContact SD-CD2 4.02Å; M366-R827 WeakPolarHBondContact CA-O 3.47Å; M366-R827 HydrophobicContact CE-CB 3.68Å; M366-R827 HydrophobicContact SD-CB 4.44Å
367	C	87.4	Confident	82.9	Confident	12 Å²	12	44.3 Å²	44.3	8%	0.081	24%	0.237	C	C	.	.	P	Polyproline II helix	trans	-65.8	150.2	171.3	-58	0	0	0	0	111.5	C826 R827	C367-C826 VanDerWaalsContact CA-SG 3.5Å; C367-C826 HydrophobicContact CB-CB 3.96Å; C367-C826 WeakPolarHBondContact CB-SG 3.4Å; C367-C826 WeakPolarHBondContact SG-CB 3.43Å; C367-C826 CovalentContact SG-SG 2.04Å; C367-C826 PolarHBondContact SG-SG 3Å; C367-R827 PolarHBondContact N-O 3.38Å; C367-R827 PolarHBondContact SG-O 3.45Å; C367-R827 VanDerWaalsContact SG-O 3.41Å
368	P	83.4	Confident	82.8	Confident	1 Å²	1	47 Å²	47	1%	0.006	25%	0.246	C	C	.	.	P	Polyproline II helix	trans	-68.3	136.3	-177.2	27.3	-35.5	0	0	0	112.9	C374 F805 P811	P368-C374 HydrophobicContact CB-CB 3.85Å; P368-F805 HydrophobicContact CG-CZ 4.48Å; P368-P811 HydrophobicContact CG-CB 4.41Å; P368-P811 HydrophobicContact CG-CG 4.18Å
369	I	77.6	Confident	82.8	Confident	39 Å²	39	46.5 Å²	46.5	20%	0.2	24%	0.243	C	C	.	.	S	Bend	trans	-73.9	-30.6	-174.5	-61.7	172.7	0	0	0	112.1	L377 K603 E606	I369-L377 HydrophobicContact CD1-CD1 4.42Å; I369-L377 HydrophobicContact CG1-CD1 4.43Å; I369-K603 PolarHBondContact O-NZ 2.94Å; I369-E606 HydrophobicContact CG2-CB 4.22Å
370	C	76	Confident	82.7	Confident	18 Å²	18	45.9 Å²	45.9	12%	0.122	24%	0.239	C	C	.	.	S	Bend	trans	-113.3	178.5	173	76.9	0	0	0	0	112.3	C374 V501	C370-C374 HydrophobicContact CB-CB 4.11Å; C370-C374 WeakPolarHBondContact CB-SG 3.27Å; C370-C374 PolarHBondContact N-SG 2.98Å; C370-C374 WeakPolarHBondContact SG-CB 3.31Å; C370-C374 PolarHBondContact SG-N 2.77Å; C370-C374 VanDerWaalsContact SG-N 3.43Å; C370-C374 CovalentContact SG-SG 2.03Å; C370-C374 PolarHBondContact SG-SG 3.18Å; C370-V501 HydrophobicContact CB-CG1 4.44Å
371	D	78.8	Confident	82.5	Confident	37 Å²	37	44.1 Å²	44.1	20%	0.198	23%	0.234	C	C	.	.	S	Bend	trans	-71.3	-147.6	175.1	-73.1	-17.6	0	0	0	110.7	Y373 C374 R597 S809	D371-Y373 PolarHBondContact O-N 3Å; D371-C374 PolarHBondContact O-N 2.9Å; D371-R597 IonicContact OD2-CZ 2.85Å; D371-R597 IonicContact OD2-NH1 3.95Å; D371-R597 PolarHBondContact OD2-NH1 2.94Å; D371-R597 IonicContact OD2-NH2 2.71Å; D371-S809 WeakPolarHBondContact OD1-CA 3.17Å; D371-S809 VanDerWaalsContact OD1-CB 3.22Å; D371-S809 WeakPolarHBondContact OD1-CB 3.47Å; D371-S809 PolarHBondContact OD1-OG 2.96Å
372	Q	74.7	Confident	82.5	Confident	64 Å²	64	43.4 Å²	43.4	30%	0.299	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-40.6	-23.6	-164.4	-65.5	-167.7	1	0	0	120.4	R812	Q372-R812 HydrophobicContact CB-CG 4.17Å; Q372-R812 WeakPolarHBondContact O-CB 3.23Å; Q372-R812 WeakPolarHBondContact O-CG 3.36Å; Q372-R812 PolarHBondContact O-N 3.39Å
373	Y	73.9	Confident	82.8	Confident	102 Å²	102	41.2 Å²	41.2	40%	0.4	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105.5	-4	-170.7	-58.9	-72.9	0	0	0	114.9	D371 A506 R812	D371-Y373 PolarHBondContact O-N 3Å; Y373-A506 HydrophobicContact CD1-CB 4.14Å; Y373-A506 HydrophobicContact CD2-CB 4.07Å; Y373-A506 HydrophobicContact CE1-CB 4.1Å; Y373-A506 HydrophobicContact CE2-CB 4.02Å; Y373-A506 HydrophobicContact CG-CB 4.13Å; Y373-R812 PolarHBondContact OH-NH2 2.96Å; Y373-R812 VanDerWaalsContact OH-NH2 3.13Å
374	C	76.2	Confident	82.9	Confident	20 Å²	20	40.3 Å²	40.3	14%	0.135	21%	0.209	C	C	.	.	P	Polyproline II helix	trans	-87.5	131.4	174.7	-78.5	0	0	0	0	111.6	P368 C370 D371 P811	P368-C374 HydrophobicContact CB-CB 3.85Å; C370-C374 HydrophobicContact CB-CB 4.11Å; C370-C374 WeakPolarHBondContact CB-SG 3.27Å; C370-C374 PolarHBondContact N-SG 2.98Å; C370-C374 WeakPolarHBondContact SG-CB 3.31Å; C370-C374 PolarHBondContact SG-N 2.77Å; C370-C374 VanDerWaalsContact SG-N 3.43Å; C370-C374 CovalentContact SG-SG 2.03Å; C370-C374 PolarHBondContact SG-SG 3.18Å; D371-C374 PolarHBondContact O-N 2.9Å; C374-P811 WeakPolarHBondContact O-CB 3.04Å
375	P	79.1	Confident	82.7	Confident	72 Å²	72	43.5 Å²	43.5	47%	0.468	22%	0.22	S	C	.	.	P	Polyproline II helix	trans	-72.9	167.5	167.8	33.4	-35.5	0	0	0	111.1	L377	P375-L377 WeakPolarHBondContact O-CD1 3.44Å
376	Y	83.3	Confident	82.6	Confident	6 Å²	6	42.4 Å²	42.4	2%	0.024	22%	0.215	C	C	.	.	P	Polyproline II helix	trans	-68.3	145.8	162.4	-62.4	-86.1	0	0	0	110.1	I365 V802 P811 V823 C826	I365-Y376 HydrophobicContact CG2-CD1 4.12Å; I365-Y376 HydrophobicContact CG2-CG 4.22Å; Y376-V802 HydrophobicContact CE1-CG2 4.4Å; Y376-V802 VanDerWaalsContact OH-CG1 3.31Å; Y376-V802 WeakPolarHBondContact OH-CG1 3.43Å; Y376-P811 HydrophobicContact CE2-CG 3.7Å; Y376-P811 WeakPolarHBondContact OH-CG 3.47Å; Y376-V823 HydrophobicContact CD1-CG1 4.13Å; Y376-V823 HydrophobicContact CD2-CB 4.38Å; Y376-V823 HydrophobicContact CD2-CG2 4.08Å; Y376-V823 HydrophobicContact CE1-CB 4.41Å; Y376-V823 HydrophobicContact CE1-CG1 4.01Å; Y376-V823 HydrophobicContact CE2-CB 4.19Å; Y376-V823 HydrophobicContact CE2-CG2 4.35Å; Y376-V823 HydrophobicContact CG-CG2 4.27Å; Y376-C826 HydrophobicContact CD1-CB 4.17Å; Y376-C826 HydrophobicContact CE1-CB 4.05Å
377	L	81.7	Confident	82.6	Confident	45 Å²	45	46.1 Å²	46.1	24%	0.236	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	150.9	-178.6	-59.9	91.8	0	0	0	110.8	M366 I369 P375	M366-L377 HydrophobicContact CB-CB 4.42Å; M366-L377 PolarHBondContact N-O 2.93Å; I369-L377 HydrophobicContact CD1-CD1 4.42Å; I369-L377 HydrophobicContact CG1-CD1 4.43Å; P375-L377 WeakPolarHBondContact O-CD1 3.44Å
378	R	86.9	Confident	82.6	Confident	87 Å²	87	47.9 Å²	47.9	33%	0.328	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	144.8	169.1	-54.9	-179.2	177.8	-164.5	0.3	109.4	S380 D381 L818 F819	R378-S380 VanDerWaalsContact CB-OG 3.29Å; R378-S380 WeakPolarHBondContact CB-OG 3.48Å; R378-S380 PolarHBondContact O-N 2.92Å; R378-D381 WeakPolarHBondContact CB-OD2 3.44Å; R378-D381 PolarHBondContact N-OD2 2.87Å; R378-D381 VanDerWaalsContact N-OD2 3.13Å; R378-D381 WeakPolarHBondContact O-CB 3.4Å; R378-D381 PolarHBondContact O-N 2.78Å; R378-L818 PolarHBondContact NH2-O 3.29Å; R378-F819 HydrophobicContact CG-CE1 3.57Å; R378-F819 HydrophobicContact CG-CZ 3.5Å; R378-F819 VanDerWaalsContact CG-CZ 3.5Å
379	L	86.4	Confident	82.7	Confident	7 Å²	7	48.7 Å²	48.7	4%	0.037	25%	0.246	C	C	.	.	G	3₁₀ helix	trans	-65.4	-31.1	177.2	-168.2	55.4	0	0	0	112.4	I358 A361 T364 M366 D381 S382 P609 V793 L797	I358-L379 HydrophobicContact CG1-CD2 4.48Å; I358-L379 HydrophobicContact CG1-CG 4.49Å; I358-L379 HydrophobicContact CG2-CD1 4.44Å; I358-L379 HydrophobicContact CG2-CG 4.22Å; A361-L379 HydrophobicContact CB-CB 4.39Å; A361-L379 HydrophobicContact CB-CD2 4.12Å; T364-L379 PolarHBondContact O-N 3.38Å; T364-L379 WeakPolarHBondContact OG1-CB 3.33Å; T364-L379 WeakPolarHBondContact OG1-CD2 3.4Å; M366-L379 HydrophobicContact CE-CB 4.19Å; M366-L379 HydrophobicContact CE-CD1 4.33Å; M366-L379 HydrophobicContact CE-CD2 4.23Å; M366-L379 HydrophobicContact CE-CG 4.49Å; M366-L379 HydrophobicContact CG-CD1 4.42Å; M366-L379 HydrophobicContact SD-CD1 4.26Å; L379-D381 PolarHBondContact O-N 3.37Å; L379-S382 WeakPolarHBondContact O-CB 3.31Å; L379-S382 PolarHBondContact O-N 3.45Å; L379-S382 VanDerWaalsContact O-N 3.08Å; L379-P609 HydrophobicContact CD1-CB 4.22Å; L379-V793 HydrophobicContact CD2-CG1 3.57Å; L379-L797 HydrophobicContact CD2-CD1 4.04Å
380	S	86.7	Confident	83.2	Confident	25 Å²	25	48 Å²	48	18%	0.175	24%	0.242	C	C	.	.	G	3₁₀ helix	trans	-52	-35.1	172.7	52	0	0	0	0	113.5	R378 S382 C383	R378-S380 VanDerWaalsContact CB-OG 3.29Å; R378-S380 WeakPolarHBondContact CB-OG 3.48Å; R378-S380 PolarHBondContact O-N 2.92Å; S380-S382 PolarHBondContact O-N 3.08Å; S380-C383 WeakPolarHBondContact O-CB 3.27Å; S380-C383 PolarHBondContact O-N 3.25Å
381	D	84.5	Confident	83.8	Confident	96 Å²	96	48.3 Å²	48.3	51%	0.513	24%	0.242	S	C	.	.	G	3₁₀ helix	trans	-68.8	-23.6	-175	-48.3	-19.6	0	0	0	110.7	R378 L379 C383	R378-D381 WeakPolarHBondContact CB-OD2 3.44Å; R378-D381 PolarHBondContact N-OD2 2.87Å; R378-D381 VanDerWaalsContact N-OD2 3.13Å; R378-D381 WeakPolarHBondContact O-CB 3.4Å; R378-D381 PolarHBondContact O-N 2.78Å; L379-D381 PolarHBondContact O-N 3.37Å; D381-C383 VanDerWaalsContact C-N 3.3Å; D381-C383 PolarHBondContact O-N 2.78Å
382	S	84.4	Confident	84.1	Confident	4 Å²	4	47.5 Å²	47.5	3%	0.028	24%	0.237	C	C	.	.	G	3₁₀ helix	trans	-80.6	-0.7	173.5	-63.3	0	0	0	0	114.2	L379 S380 I384 Y385 A386 H608	L379-S382 WeakPolarHBondContact O-CB 3.31Å; L379-S382 PolarHBondContact O-N 3.45Å; L379-S382 VanDerWaalsContact O-N 3.08Å; S380-S382 PolarHBondContact O-N 3.08Å; S382-I384 VanDerWaalsContact C-N 3.34Å; S382-I384 PolarHBondContact O-N 3.48Å; S382-Y385 PolarHBondContact O-N 3.3Å; S382-Y385 VanDerWaalsContact O-N 3.1Å; S382-A386 PolarHBondContact O-N 3.32Å; S382-H608 PolarHBondContact OG-CE1 2.98Å; S382-H608 VanDerWaalsContact OG-CE1 3.29Å
383	C	88.1	Confident	84.7	Confident	25 Å²	25	44.7 Å²	44.7	17%	0.169	22%	0.224	C	C	.	.	H	α-helix	trans	-53.5	-42.4	-174.3	172.3	0	0	0	0	114.1	C359 S380 D381 A386 K387	C359-C383 HydrophobicContact CB-CB 3.87Å; C359-C383 WeakPolarHBondContact CB-SG 3.42Å; C359-C383 VanDerWaalsContact SG-CA 3.6Å; C359-C383 WeakPolarHBondContact SG-CB 3.49Å; C359-C383 CovalentContact SG-SG 2.04Å; C359-C383 PolarHBondContact SG-SG 3Å; S380-C383 WeakPolarHBondContact O-CB 3.27Å; S380-C383 PolarHBondContact O-N 3.25Å; D381-C383 VanDerWaalsContact C-N 3.3Å; D381-C383 PolarHBondContact O-N 2.78Å; C383-A386 PolarHBondContact O-N 3.46Å; C383-K387 WeakPolarHBondContact O-CG 3.38Å; C383-K387 PolarHBondContact O-N 3.25Å
384	I	86.9	Confident	85.3	Confident	125 Å²	125	40 Å²	40	64%	0.641	21%	0.206	S	C	*	.	H	α-helix	trans	-64.4	-48.3	178.1	-61.7	175.6	0	0	0	110.3	S382 A386 K387 V388	S382-I384 VanDerWaalsContact C-N 3.34Å; S382-I384 PolarHBondContact O-N 3.48Å; I384-A386 VanDerWaalsContact C-N 3.34Å; I384-A386 PolarHBondContact O-N 3.15Å; I384-K387 PolarHBondContact O-N 2.84Å; I384-V388 WeakPolarHBondContact O-CG2 3.42Å; I384-V388 PolarHBondContact O-N 3.25Å
385	Y	84	Confident	85.8	Confident	88 Å²	88	41.1 Å²	41.1	35%	0.345	22%	0.221	S	C	.	.	H	α-helix	trans	-62.3	-40.1	178.4	-63.2	-85	0	0	0	111.7	S382 V388 T389 H608 S610 I614 M618	S382-Y385 PolarHBondContact O-N 3.3Å; S382-Y385 VanDerWaalsContact O-N 3.1Å; Y385-V388 CarbonylContact O-C 3.54Å; Y385-V388 PolarHBondContact O-N 3.06Å; Y385-T389 PolarHBondContact O-N 3.49Å; Y385-T389 PolarHBondContact O-OG1 3.25Å; Y385-T389 VanDerWaalsContact O-OG1 3.11Å; Y385-H608 AromaticContact CD2-CE1 3.5Å; Y385-H608 VanDerWaalsContact CD2-CE1 3.5Å; Y385-H608 WeakPolarHBondContact CD2-CE1 3.34Å; Y385-H608 AromaticContact CD2-NE2 3.95Å; Y385-H608 AromaticContact CG-CE1 3.6Å; Y385-S610 WeakPolarHBondContact CB-OG 3.32Å; Y385-I614 HydrophobicContact CD1-CD1 3.88Å; Y385-M618 HydrophobicContact CE1-CE 4.33Å
386	A	86.1	Confident	86.3	Confident	7 Å²	7	38.7 Å²	38.7	6%	0.058	21%	0.207	C	C	.	.	H	α-helix	trans	-64.4	-39.2	175.9	0	0	0	0	0	113.3	I358 S382 C383 I384 T389 H390	I358-A386 HydrophobicContact CB-CB 4.19Å; I358-A386 HydrophobicContact CD1-CB 3.68Å; I358-A386 HydrophobicContact CG2-CB 3.76Å; S382-A386 PolarHBondContact O-N 3.32Å; C383-A386 PolarHBondContact O-N 3.46Å; I384-A386 VanDerWaalsContact C-N 3.34Å; I384-A386 PolarHBondContact O-N 3.15Å; A386-T389 PolarHBondContact O-N 3Å; A386-H390 PolarHBondContact O-N 2.91Å
387	K	88.2	Confident	86.7	Confident	89 Å²	89	38.5 Å²	38.5	39%	0.387	21%	0.206	S	C	.	.	H	α-helix	trans	-63.1	-41.3	172.5	-75.3	177.7	174.3	-173	0	111.8	L349 C383 I384 H390 L391	L349-K387 HydrophobicContact CD1-CB 4.35Å; L349-K387 HydrophobicContact CD2-CB 4.33Å; L349-K387 HydrophobicContact CD2-CD 4.09Å; L349-K387 HydrophobicContact CD2-CG 4.07Å; C383-K387 WeakPolarHBondContact O-CG 3.38Å; C383-K387 PolarHBondContact O-N 3.25Å; I384-K387 PolarHBondContact O-N 2.84Å; K387-H390 PolarHBondContact O-N 2.75Å; K387-L391 PolarHBondContact O-N 2.87Å
388	V	86.8	Confident	87.2	Confident	49 Å²	49	37.3 Å²	37.3	30%	0.297	20%	0.201	S	C	.	.	H	α-helix	trans	-70.3	-36.7	175.8	176.7	0	0	0	0	111.9	I384 Y385 L391 F392 I614	I384-V388 WeakPolarHBondContact O-CG2 3.42Å; I384-V388 PolarHBondContact O-N 3.25Å; Y385-V388 CarbonylContact O-C 3.54Å; Y385-V388 PolarHBondContact O-N 3.06Å; V388-L391 WeakPolarHBondContact O-CB 3.26Å; V388-L391 PolarHBondContact O-N 3.03Å; V388-F392 HydrophobicContact CG1-CD2 4.16Å; V388-F392 HydrophobicContact CG1-CE2 3.87Å; V388-F392 VanDerWaalsContact O-CD2 3.28Å; V388-F392 WeakPolarHBondContact O-CD2 3.28Å; V388-I614 HydrophobicContact CB-CD1 3.72Å; V388-I614 HydrophobicContact CG1-CD1 3.57Å; V388-I614 HydrophobicContact CG1-CG1 4.35Å
389	T	87.3	Confident	87.5	Confident	17 Å²	17	39.3 Å²	39.3	10%	0.104	21%	0.212	C	C	.	.	H	α-helix	trans	-59.9	-45.9	171	-61	0	0	0	0	110.3	Y385 A386 L391 F392 D393 S610	Y385-T389 PolarHBondContact O-N 3.49Å; Y385-T389 PolarHBondContact O-OG1 3.25Å; Y385-T389 VanDerWaalsContact O-OG1 3.11Å; A386-T389 PolarHBondContact O-N 3Å; T389-L391 VanDerWaalsContact C-N 3.31Å; T389-L391 PolarHBondContact O-N 2.97Å; T389-F392 CarbonylContact O-C 3.57Å; T389-F392 PolarHBondContact O-N 2.82Å; T389-F392 VanDerWaalsContact O-N 3.13Å; T389-D393 HydrophobicContact CG2-CB 4.07Å; T389-D393 WeakPolarHBondContact O-CB 3.45Å; T389-D393 PolarHBondContact O-N 3.07Å; T389-S610 PolarHBondContact OG1-O 2.93Å
390	H	87.4	Confident	87.9	Confident	24 Å²	24	39 Å²	39	11%	0.111	21%	0.21	C	C	.	.	H	α-helix	trans	-61.5	-37.3	179.9	-173.2	-103.2	0	0	0	113.7	C352 A386 K387 F392 D393	C352-H390 PolarHBondContact SG-CD2 3.23Å; C352-H390 PolarHBondContact SG-NE2 3.05Å; C352-H390 VanDerWaalsContact SG-NE2 3.41Å; A386-H390 PolarHBondContact O-N 2.91Å; K387-H390 PolarHBondContact O-N 2.75Å; H390-F392 PolarHBondContact O-N 3.29Å; H390-D393 PolarHBondContact O-N 3.4Å
391	L	87.4	Confident	88.2	Confident	25 Å²	25	37.8 Å²	37.8	13%	0.131	20%	0.202	C	C	.	.	H	α-helix	trans	-56.8	-32.3	176.7	178.4	56.9	0	0	0	112.5	F342 V346 K387 V388 T389 N394	F342-L391 HydrophobicContact CD2-CD1 3.85Å; F342-L391 HydrophobicContact CD2-CG 4.05Å; F342-L391 HydrophobicContact CE2-CD1 3.65Å; F342-L391 HydrophobicContact CE2-CD2 3.59Å; F342-L391 HydrophobicContact CE2-CG 3.59Å; F342-L391 HydrophobicContact CG-CD1 4.44Å; F342-L391 HydrophobicContact CZ-CD1 4.06Å; F342-L391 HydrophobicContact CZ-CD2 3.89Å; F342-L391 HydrophobicContact CZ-CG 4.25Å; V346-L391 HydrophobicContact CB-CD1 4.41Å; V346-L391 HydrophobicContact CG2-CD1 3.51Å; K387-L391 PolarHBondContact O-N 2.87Å; V388-L391 WeakPolarHBondContact O-CB 3.26Å; V388-L391 PolarHBondContact O-N 3.03Å; T389-L391 VanDerWaalsContact C-N 3.31Å; T389-L391 PolarHBondContact O-N 2.97Å; L391-N394 PolarHBondContact O-ND2 3.2Å
392	F	85.7	Confident	88.6	Confident	20 Å²	20	34.7 Å²	34.7	9%	0.088	19%	0.187	C	C	.	.	H	α-helix	trans	-108.3	-18.1	-179.9	-57.6	-60.9	0	0	0	115	F342 V388 T389 H390 T397 L613 F700	F342-F392 HydrophobicContact CD2-CD1 4.3Å; F342-F392 AromaticContact CD2-CE1 3.73Å; F342-F392 HydrophobicContact CD2-CE1 3.73Å; F342-F392 HydrophobicContact CE2-CD1 4.48Å; F342-F392 AromaticContact CE2-CE1 3.6Å; F342-F392 HydrophobicContact CE2-CE1 3.6Å; F342-F392 AromaticContact CE2-CZ 3.97Å; F342-F392 HydrophobicContact CE2-CZ 3.97Å; V388-F392 HydrophobicContact CG1-CD2 4.16Å; V388-F392 HydrophobicContact CG1-CE2 3.87Å; V388-F392 VanDerWaalsContact O-CD2 3.28Å; V388-F392 WeakPolarHBondContact O-CD2 3.28Å; T389-F392 CarbonylContact O-C 3.57Å; T389-F392 PolarHBondContact O-N 2.82Å; T389-F392 VanDerWaalsContact O-N 3.13Å; H390-F392 PolarHBondContact O-N 3.29Å; F392-T397 WeakPolarHBondContact O-CG2 3.32Å; F392-L613 HydrophobicContact CB-CD2 4.22Å; F392-F700 HydrophobicContact CD1-CD2 4.29Å; F392-F700 AromaticContact CE1-CD2 3.87Å; F392-F700 HydrophobicContact CE1-CD2 3.87Å; F392-F700 AromaticContact CE1-CE2 3.9Å; F392-F700 HydrophobicContact CE1-CE2 3.9Å; F392-F700 HydrophobicContact CZ-CD2 4.24Å; F392-F700 HydrophobicContact CZ-CE2 4.05Å
393	D	87.2	Confident	89	Confident	5 Å²	5	36.9 Å²	36.9	3%	0.027	20%	0.196	C	C	.	.	S	Bend	trans	-114.2	57.8	-179.1	-168.6	19.2	0	0	0	111.6	T389 H390 L613 S763 D764 R768	T389-D393 HydrophobicContact CG2-CB 4.07Å; T389-D393 WeakPolarHBondContact O-CB 3.45Å; T389-D393 PolarHBondContact O-N 3.07Å; H390-D393 PolarHBondContact O-N 3.4Å; D393-L613 HydrophobicContact CB-CD1 4.19Å; D393-L613 HydrophobicContact CB-CD2 4.3Å; D393-S763 VanDerWaalsContact CG-OG 3.27Å; D393-S763 WeakPolarHBondContact OD1-CB 3.5Å; D393-S763 PolarHBondContact OD1-OG 2.85Å; D393-S763 PolarHBondContact OD2-OG 3.3Å; D393-D764 PolarHBondContact OD2-N 3.18Å; D393-R768 PolarHBondContact O-NH1 3.12Å; D393-R768 PolarHBondContact O-NH2 3.03Å; D393-R768 IonicContact OD1-NH2 3.32Å; D393-R768 PolarHBondContact OD1-NH2 3.14Å; D393-R768 VanDerWaalsContact OD1-NH2 3.1Å; D393-R768 IonicContact OD2-CZ 2.75Å; D393-R768 IonicContact OD2-NH2 3.49Å; D393-R768 PolarHBondContact OD2-NH2 2.97Å
394	N	86.7	Confident	89.3	Confident	3 Å²	3	35.8 Å²	35.8	2%	0.016	19%	0.188	C	C	.	.	S	Bend	trans	-109.8	161	178.4	71.1	65.5	0	0	0	111.6	L391 A396 T397	L391-N394 PolarHBondContact O-ND2 3.2Å; N394-A396 PolarHBondContact O-N 2.94Å; N394-A396 WeakPolarHBondContact OD1-CA 3.5Å; N394-A396 VanDerWaalsContact OD1-CB 3.3Å; N394-A396 WeakPolarHBondContact OD1-CB 3.38Å; N394-A396 PolarHBondContact OD1-N 2.81Å; N394-T397 PolarHBondContact O-N 2.74Å; N394-T397 PolarHBondContact O-OG1 2.92Å; N394-T397 PolarHBondContact OD1-N 2.73Å
395	G	86.3	Confident	89.6	Confident	44 Å²	44	30.1 Å²	30.1	45%	0.454	16%	0.16	S	C	.	.	H	α-helix	trans	-59.8	-21.2	-176	0	0	0	0	0	115.3
396	A	91.2	Very high	89.9	Confident	21 Å²	21	28 Å²	28	17%	0.174	16%	0.156	C	C	.	.	H	α-helix	trans	-79.7	-16	177.5	0	0	0	0	0	113.2	V341 Y344 N394 F399 F400	V341-A396 HydrophobicContact CG1-CB 4.11Å; V341-A396 HydrophobicContact CG2-CB 4.24Å; Y344-A396 HydrophobicContact CD1-CB 3.81Å; Y344-A396 HydrophobicContact CE1-CB 4.13Å; Y344-A396 HydrophobicContact CG-CB 4.49Å; N394-A396 PolarHBondContact O-N 2.94Å; N394-A396 WeakPolarHBondContact OD1-CA 3.5Å; N394-A396 VanDerWaalsContact OD1-CB 3.3Å; N394-A396 WeakPolarHBondContact OD1-CB 3.38Å; N394-A396 PolarHBondContact OD1-N 2.81Å; A396-F399 PolarHBondContact O-N 3.19Å; A396-F400 PolarHBondContact O-N 3.01Å
397	T	91.3	Very high	90.3	Very high	3 Å²	3	28.2 Å²	28.2	2%	0.018	16%	0.156	C	C	.	.	H	α-helix	trans	-74.5	-28.2	173.6	70.7	0	0	0	0	112.5	V341 F392 N394 F400 A401 P701	V341-T397 HydrophobicContact CG1-CG2 3.74Å; F392-T397 WeakPolarHBondContact O-CG2 3.32Å; N394-T397 PolarHBondContact O-N 2.74Å; N394-T397 PolarHBondContact O-OG1 2.92Å; N394-T397 PolarHBondContact OD1-N 2.73Å; T397-F400 WeakPolarHBondContact O-CB 3.11Å; T397-F400 PolarHBondContact O-N 2.67Å; T397-A401 PolarHBondContact O-N 3.25Å; T397-P701 HydrophobicContact CG2-CG 3.55Å
398	V	91.5	Very high	90.6	Very high	20 Å²	20	24.1 Å²	24.1	12%	0.121	14%	0.138	C	C	.	.	H	α-helix	trans	-64.6	-43.6	170.4	-176.8	0	0	0	0	110.7	F400 A401 V402 I759 F765 F857	V398-F400 VanDerWaalsContact C-N 3.33Å; V398-A401 PolarHBondContact O-N 3.22Å; V398-V402 PolarHBondContact O-N 3.1Å; V398-I759 HydrophobicContact CG1-CD1 4.41Å; V398-I759 HydrophobicContact CG2-CG2 3.93Å; V398-F765 HydrophobicContact CG2-CD1 3.91Å; V398-F765 HydrophobicContact CG2-CD2 4.01Å; V398-F765 HydrophobicContact CG2-CE1 4.03Å; V398-F765 HydrophobicContact CG2-CE2 4.12Å; V398-F765 HydrophobicContact CG2-CG 3.91Å; V398-F765 HydrophobicContact CG2-CZ 4.13Å; V398-F857 HydrophobicContact CG1-CZ 4.17Å
399	F	92.9	Very high	90.8	Very high	128 Å²	128	22.4 Å²	22.4	56%	0.561	13%	0.128	S	C	*	.	H	α-helix	trans	-60.5	-42.7	169.8	166.7	-98	0	0	0	111.5	V337 A396 A401 V402 F403	V337-F399 HydrophobicContact CG1-CE1 4.37Å; A396-F399 PolarHBondContact O-N 3.19Å; F399-A401 VanDerWaalsContact C-N 3.35Å; F399-A401 PolarHBondContact O-N 3.1Å; F399-V402 PolarHBondContact O-N 3.01Å; F399-F403 WeakPolarHBondContact O-CB 3.37Å; F399-F403 PolarHBondContact O-N 3.4Å
400	F	94.5	Very high	91	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-62.6	-38.5	178.9	-166.2	-126.5	0	0	0	113	V337 G338 V341 A396 T397 V398 F403 M404 V697 P701 P704	V337-F400 HydrophobicContact CB-CD2 4.38Å; V337-F400 HydrophobicContact CB-CE2 4Å; V337-F400 HydrophobicContact CG1-CD2 3.71Å; V337-F400 HydrophobicContact CG1-CE2 3.84Å; G338-F400 VanDerWaalsContact N-CE2 3.33Å; V341-F400 HydrophobicContact CG1-CB 4.31Å; V341-F400 HydrophobicContact CG2-CB 4.16Å; V341-F400 HydrophobicContact CG2-CD2 4.36Å; V341-F400 HydrophobicContact CG2-CG 4.4Å; A396-F400 PolarHBondContact O-N 3.01Å; T397-F400 WeakPolarHBondContact O-CB 3.11Å; T397-F400 PolarHBondContact O-N 2.67Å; V398-F400 VanDerWaalsContact C-N 3.33Å; F400-F403 AromaticContact CD2-CD1 3.8Å; F400-F403 HydrophobicContact CD2-CD1 3.8Å; F400-F403 HydrophobicContact CD2-CE1 4.5Å; F400-F403 AromaticContact CE2-CD1 3.72Å; F400-F403 HydrophobicContact CE2-CD1 3.72Å; F400-F403 AromaticContact CE2-CE1 4Å; F400-F403 HydrophobicContact CE2-CE1 4Å; F400-F403 PolarHBondContact O-N 3.02Å; F400-M404 HydrophobicContact CD1-CG 4.11Å; F400-M404 HydrophobicContact CD2-CG 4.16Å; F400-M404 HydrophobicContact CE1-CG 3.8Å; F400-M404 HydrophobicContact CE1-SD 4.34Å; F400-M404 HydrophobicContact CE2-CG 3.85Å; F400-M404 HydrophobicContact CE2-SD 3.94Å; F400-M404 HydrophobicContact CG-CG 4.29Å; F400-M404 HydrophobicContact CZ-CG 3.67Å; F400-M404 HydrophobicContact CZ-SD 3.7Å; F400-M404 WeakPolarHBondContact O-CB 3.24Å; F400-M404 VanDerWaalsContact O-CG 3.29Å; F400-M404 WeakPolarHBondContact O-CG 3.36Å; F400-M404 PolarHBondContact O-N 3.02Å; F400-V697 HydrophobicContact CD1-CG2 4.03Å; F400-V697 HydrophobicContact CE1-CG2 3.55Å; F400-V697 HydrophobicContact CZ-CG2 4.46Å; F400-P701 HydrophobicContact CD1-CB 3.81Å; F400-P701 HydrophobicContact CD1-CG 4.37Å; F400-P701 HydrophobicContact CE1-CB 3.93Å; F400-P701 WeakPolarHBondContact CE1-O 3.4Å; F400-P704 HydrophobicContact CZ-CG 4.14Å
401	A	93.1	Very high	91.2	Very high	1 Å²	1	22.2 Å²	22.2	1%	0.008	13%	0.128	C	C	.	.	H	α-helix	trans	-62.3	-43.2	176.2	0	0	0	0	0	112.3	T397 V398 F399 M404 A405 A698 N755 I759 F861	T397-A401 PolarHBondContact O-N 3.25Å; V398-A401 PolarHBondContact O-N 3.22Å; F399-A401 VanDerWaalsContact C-N 3.35Å; F399-A401 PolarHBondContact O-N 3.1Å; A401-M404 PolarHBondContact O-N 3.12Å; A401-A405 PolarHBondContact O-N 2.88Å; A401-A698 HydrophobicContact CB-CB 4.15Å; A401-N755 HydrophobicContact CB-CB 4.34Å; A401-I759 HydrophobicContact CB-CD1 3.69Å; A401-F861 HydrophobicContact CB-CZ 4.11Å
402	V	92.8	Very high	91.4	Very high	31 Å²	31	21.3 Å²	21.3	19%	0.188	12%	0.123	C	C	.	.	H	α-helix	trans	-64.5	-46	174	178.7	0	0	0	0	110.6	V398 F399 M404 A405 V406 F861 M864 V865	V398-V402 PolarHBondContact O-N 3.1Å; F399-V402 PolarHBondContact O-N 3.01Å; V402-M404 VanDerWaalsContact C-N 3.3Å; V402-M404 PolarHBondContact O-N 3.22Å; V402-A405 PolarHBondContact O-N 2.85Å; V402-V406 WeakPolarHBondContact O-CG2 3.32Å; V402-V406 PolarHBondContact O-N 3.28Å; V402-F861 HydrophobicContact CG2-CD2 4.24Å; V402-F861 HydrophobicContact CG2-CE2 3.51Å; V402-F861 HydrophobicContact CG2-CZ 3.99Å; V402-M864 HydrophobicContact CG1-CE 4.49Å; V402-M864 HydrophobicContact CG2-CE 4.04Å; V402-V865 HydrophobicContact CG1-CG2 4.39Å; V402-V865 HydrophobicContact CG2-CG2 4.31Å
403	F	94.3	Very high	91.6	Very high	50 Å²	50	20.9 Å²	20.9	22%	0.219	12%	0.122	C	C	.	.	H	α-helix	trans	-57.7	-41	175.1	167.3	-89.5	0	0	0	112.1	A334 V337 F399 F400 V406 W407	A334-F403 HydrophobicContact CB-CE1 4.44Å; V337-F403 HydrophobicContact CB-CD1 4.38Å; V337-F403 HydrophobicContact CB-CE1 3.98Å; V337-F403 HydrophobicContact CB-CZ 4.13Å; V337-F403 HydrophobicContact CG1-CD1 4.12Å; V337-F403 HydrophobicContact CG1-CE1 4.22Å; V337-F403 HydrophobicContact CG1-CG 4.36Å; V337-F403 HydrophobicContact CG2-CE1 4.19Å; V337-F403 HydrophobicContact CG2-CE2 4.1Å; V337-F403 HydrophobicContact CG2-CZ 3.8Å; F399-F403 WeakPolarHBondContact O-CB 3.37Å; F399-F403 PolarHBondContact O-N 3.4Å; F400-F403 AromaticContact CD2-CD1 3.8Å; F400-F403 HydrophobicContact CD2-CD1 3.8Å; F400-F403 HydrophobicContact CD2-CE1 4.5Å; F400-F403 AromaticContact CE2-CD1 3.72Å; F400-F403 HydrophobicContact CE2-CD1 3.72Å; F400-F403 AromaticContact CE2-CE1 4Å; F400-F403 HydrophobicContact CE2-CE1 4Å; F400-F403 PolarHBondContact O-N 3.02Å; F403-V406 WeakPolarHBondContact O-CB 3.02Å; F403-V406 PolarHBondContact O-N 3.08Å; F403-W407 HydrophobicContact CE1-CB 4.33Å; F403-W407 VanDerWaalsContact O-CB 3.27Å; F403-W407 WeakPolarHBondContact O-CB 3.38Å; F403-W407 PolarHBondContact O-N 3.39Å
404	M	94.6	Very high	91.8	Very high	1 Å²	1	24 Å²	24	1%	0.005	14%	0.135	C	C	.	.	H	α-helix	trans	-72.2	-32.7	-179.1	-76.5	-59.9	-63.5	0	0	113.1	A334 F400 A401 V402 W407 A408 T693 V697 P704	A334-M404 HydrophobicContact CB-CE 4.24Å; A334-M404 HydrophobicContact CB-SD 3.74Å; F400-M404 HydrophobicContact CD1-CG 4.11Å; F400-M404 HydrophobicContact CD2-CG 4.16Å; F400-M404 HydrophobicContact CE1-CG 3.8Å; F400-M404 HydrophobicContact CE1-SD 4.34Å; F400-M404 HydrophobicContact CE2-CG 3.85Å; F400-M404 HydrophobicContact CE2-SD 3.94Å; F400-M404 HydrophobicContact CG-CG 4.29Å; F400-M404 HydrophobicContact CZ-CG 3.67Å; F400-M404 HydrophobicContact CZ-SD 3.7Å; F400-M404 WeakPolarHBondContact O-CB 3.24Å; F400-M404 VanDerWaalsContact O-CG 3.29Å; F400-M404 WeakPolarHBondContact O-CG 3.36Å; F400-M404 PolarHBondContact O-N 3.02Å; A401-M404 PolarHBondContact O-N 3.12Å; V402-M404 VanDerWaalsContact C-N 3.3Å; V402-M404 PolarHBondContact O-N 3.22Å; M404-W407 HydrophobicContact CE-CD2 4.21Å; M404-W407 HydrophobicContact CE-CE3 3.6Å; M404-W407 HydrophobicContact CE-CZ3 3.94Å; M404-W407 PolarHBondContact O-N 3.45Å; M404-W407 HydrophobicContact SD-CD2 4.47Å; M404-W407 HydrophobicContact SD-CE3 4.36Å; M404-A408 WeakPolarHBondContact O-CB 3.35Å; M404-A408 PolarHBondContact O-N 3.37Å; M404-T693 WeakPolarHBondContact CE-O 3.34Å; M404-V697 HydrophobicContact CB-CG1 3.73Å; M404-V697 HydrophobicContact CE-CG2 4.37Å; M404-V697 HydrophobicContact CG-CG1 3.96Å; M404-V697 HydrophobicContact CG-CG2 3.91Å; M404-P704 HydrophobicContact CE-CG 3.77Å; M404-P704 HydrophobicContact SD-CG 4.15Å
405	A	91.6	Very high	92	Very high	6 Å²	6	23.8 Å²	23.8	5%	0.05	13%	0.134	C	C	.	.	H	α-helix	trans	-67.3	-42	170.5	0	0	0	0	0	112.1	A401 V402 A408 T409 V752 V865	A401-A405 PolarHBondContact O-N 2.88Å; V402-A405 PolarHBondContact O-N 2.85Å; A405-A408 PolarHBondContact O-N 3.46Å; A405-T409 WeakPolarHBondContact O-CG2 3.5Å; A405-T409 PolarHBondContact O-N 2.84Å; A405-T409 PolarHBondContact O-OG1 3.24Å; A405-V752 HydrophobicContact CB-CG2 4.08Å; A405-V865 HydrophobicContact CB-CG1 3.44Å; A405-V865 VanDerWaalsContact CB-CG1 3.44Å
406	V	91.8	Very high	92.2	Very high	43 Å²	43	23.3 Å²	23.3	26%	0.261	12%	0.12	S	C	.	.	H	α-helix	trans	-60.3	-47.1	170.7	167.7	0	0	0	0	110.6	V402 F403 A408 T409 V410 I868 I872	V402-V406 WeakPolarHBondContact O-CG2 3.32Å; V402-V406 PolarHBondContact O-N 3.28Å; F403-V406 WeakPolarHBondContact O-CB 3.02Å; F403-V406 PolarHBondContact O-N 3.08Å; V406-A408 PolarHBondContact O-N 3.23Å; V406-T409 PolarHBondContact O-N 2.93Å; V406-T409 PolarHBondContact O-OG1 3.08Å; V406-V410 HydrophobicContact CG1-CG2 4.27Å; V406-V410 WeakPolarHBondContact O-CB 3.38Å; V406-V410 VanDerWaalsContact O-CG2 3.23Å; V406-V410 WeakPolarHBondContact O-CG2 3.2Å; V406-V410 PolarHBondContact O-N 3.48Å; V406-I868 HydrophobicContact CG2-CG2 3.68Å; V406-I872 HydrophobicContact CB-CD1 4.47Å; V406-I872 HydrophobicContact CG1-CD1 3.85Å; V406-I872 HydrophobicContact CG2-CD1 4.32Å
407	W	94.8	Very high	92.1	Very high	13 Å²	13	25.4 Å²	25.4	5%	0.049	12%	0.123	C	C	.	.	H	α-helix	trans	-60	-44.6	178.3	172.9	88.6	0	0	0	112.4	Y327 M330 L331 A334 F403 M404 T409 V410 F411 F690 T694	Y327-W407 HydrophobicContact CE2-CH2 4.26Å; M330-W407 HydrophobicContact CB-CZ2 4.21Å; M330-W407 PolarHBondContact O-NE1 3.34Å; L331-W407 HydrophobicContact CD2-CH2 3.91Å; L331-W407 HydrophobicContact CD2-CZ2 4Å; L331-W407 HydrophobicContact CG-CZ2 4.32Å; A334-W407 HydrophobicContact CB-CD2 4.21Å; A334-W407 HydrophobicContact CB-CG 4.33Å; A334-W407 HydrophobicContact CB-CZ2 4.44Å; F403-W407 HydrophobicContact CE1-CB 4.33Å; F403-W407 VanDerWaalsContact O-CB 3.27Å; F403-W407 WeakPolarHBondContact O-CB 3.38Å; F403-W407 PolarHBondContact O-N 3.39Å; M404-W407 HydrophobicContact CE-CD2 4.21Å; M404-W407 HydrophobicContact CE-CE3 3.6Å; M404-W407 HydrophobicContact CE-CZ3 3.94Å; M404-W407 PolarHBondContact O-N 3.45Å; M404-W407 HydrophobicContact SD-CD2 4.47Å; M404-W407 HydrophobicContact SD-CE3 4.36Å; W407-T409 VanDerWaalsContact C-N 3.32Å; W407-T409 PolarHBondContact O-N 3.03Å; W407-V410 PolarHBondContact O-N 3.43Å; W407-F411 VanDerWaalsContact O-CB 3.27Å; W407-F411 WeakPolarHBondContact O-CB 3.48Å; W407-F411 PolarHBondContact O-N 2.96Å; W407-F690 HydrophobicContact CH2-CD2 4.4Å; W407-F690 HydrophobicContact CH2-CE2 4.05Å; W407-F690 HydrophobicContact CZ3-CD2 4.39Å; W407-F690 AromaticContact CZ3-CE2 3.78Å; W407-F690 HydrophobicContact CZ3-CE2 3.78Å; W407-T694 HydrophobicContact CZ3-CG2 4.15Å
408	A	92.9	Very high	91.9	Very high	3 Å²	3	29.3 Å²	29.3	3%	0.025	14%	0.137	C	C	.	.	H	α-helix	trans	-63.4	-38	-179.5	0	0	0	0	0	112.3	M404 A405 V406 L412 F690 T694	M404-A408 WeakPolarHBondContact O-CB 3.35Å; M404-A408 PolarHBondContact O-N 3.37Å; A405-A408 PolarHBondContact O-N 3.46Å; V406-A408 PolarHBondContact O-N 3.23Å; A408-L412 WeakPolarHBondContact O-CG 3.37Å; A408-L412 PolarHBondContact O-N 2.92Å; A408-F690 HydrophobicContact CB-CZ 4.24Å; A408-T694 HydrophobicContact CB-CG2 4.32Å
409	T	91	Very high	91.8	Very high	13 Å²	13	30.8 Å²	30.8	8%	0.08	14%	0.141	C	C	.	.	H	α-helix	trans	-73.7	-43.6	177.3	56.2	0	0	0	0	111.6	A405 V406 W407 F411 L412 E413 K869	A405-T409 WeakPolarHBondContact O-CG2 3.5Å; A405-T409 PolarHBondContact O-N 2.84Å; A405-T409 PolarHBondContact O-OG1 3.24Å; V406-T409 PolarHBondContact O-N 2.93Å; V406-T409 PolarHBondContact O-OG1 3.08Å; W407-T409 VanDerWaalsContact C-N 3.32Å; W407-T409 PolarHBondContact O-N 3.03Å; T409-F411 VanDerWaalsContact C-N 3.31Å; T409-F411 PolarHBondContact O-N 2.92Å; T409-L412 PolarHBondContact O-N 2.82Å; T409-E413 WeakPolarHBondContact O-CG 3.5Å; T409-E413 PolarHBondContact O-N 2.99Å; T409-K869 HydrophobicContact CG2-CB 3.87Å; T409-K869 HydrophobicContact CG2-CD 3.62Å; T409-K869 HydrophobicContact CG2-CG 3.49Å; T409-K869 VanDerWaalsContact CG2-CG 3.49Å
410	V	91.5	Very high	91.5	Very high	36 Å²	36	25.7 Å²	25.7	22%	0.218	12%	0.122	C	C	.	.	H	α-helix	trans	-56.8	-42.7	171.3	168.1	0	0	0	0	111.7	V406 W407 F414 I872	V406-V410 HydrophobicContact CG1-CG2 4.27Å; V406-V410 WeakPolarHBondContact O-CB 3.38Å; V406-V410 VanDerWaalsContact O-CG2 3.23Å; V406-V410 WeakPolarHBondContact O-CG2 3.2Å; V406-V410 PolarHBondContact O-N 3.48Å; W407-V410 PolarHBondContact O-N 3.43Å; V410-F414 HydrophobicContact CG1-CD2 3.68Å; V410-F414 HydrophobicContact CG1-CE2 3.85Å; V410-F414 WeakPolarHBondContact O-CD2 3.48Å; V410-F414 PolarHBondContact O-N 2.83Å; V410-I872 HydrophobicContact CG2-CD1 4.28Å; V410-I872 HydrophobicContact CG2-CG2 3.93Å
411	F	92.9	Very high	91.1	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-58.8	-47.3	176.5	161.3	-110.6	0	0	0	112.2	W323 W326 Y327 M330 W407 T409 W415 F690	W323-F411 HydrophobicContact CZ2-CZ 4.5Å; W323-F411 AromaticContact NE1-CZ 3.89Å; W326-F411 AromaticContact CD1-CD2 3.98Å; W326-F411 AromaticContact CD1-CE2 3.7Å; W326-F411 AromaticContact NE1-CD2 3.93Å; Y327-F411 HydrophobicContact CD2-CE2 4.2Å; Y327-F411 HydrophobicContact CD2-CZ 4.09Å; Y327-F411 HydrophobicContact CG-CE2 4.47Å; Y327-F411 HydrophobicContact CG-CZ 4.34Å; M330-F411 HydrophobicContact CB-CD2 4Å; M330-F411 HydrophobicContact CG-CD2 4.23Å; W407-F411 VanDerWaalsContact O-CB 3.27Å; W407-F411 WeakPolarHBondContact O-CB 3.48Å; W407-F411 PolarHBondContact O-N 2.96Å; T409-F411 VanDerWaalsContact C-N 3.31Å; T409-F411 PolarHBondContact O-N 2.92Å; F411-W415 VanDerWaalsContact O-CB 3.31Å; F411-W415 WeakPolarHBondContact O-CB 3.32Å; F411-W415 PolarHBondContact O-N 3Å; F411-F690 AromaticContact CD1-CE2 3.63Å; F411-F690 HydrophobicContact CD1-CE2 3.63Å; F411-F690 HydrophobicContact CD1-CZ 4.08Å; F411-F690 HydrophobicContact CE1-CD2 4.12Å; F411-F690 AromaticContact CE1-CE2 3.61Å; F411-F690 HydrophobicContact CE1-CE2 3.61Å; F411-F690 HydrophobicContact CE1-CZ 4.16Å
412	L	91.4	Very high	90.8	Very high	6 Å²	6	27 Å²	27	3%	0.031	13%	0.13	C	C	.	.	H	α-helix	trans	-67.9	-45.2	179.3	-68.5	174.1	0	0	0	112.2	A408 T409 W415 K416 Y741 L744 E745	A408-L412 WeakPolarHBondContact O-CG 3.37Å; A408-L412 PolarHBondContact O-N 2.92Å; T409-L412 PolarHBondContact O-N 2.82Å; L412-W415 PolarHBondContact O-N 2.96Å; L412-W415 VanDerWaalsContact O-N 3.11Å; L412-K416 WeakPolarHBondContact O-CG 3.47Å; L412-K416 PolarHBondContact O-N 3.49Å; L412-Y741 HydrophobicContact CB-CE2 4.38Å; L412-Y741 HydrophobicContact CD2-CE2 4.12Å; L412-L744 HydrophobicContact CD2-CB 3.87Å; L412-L744 HydrophobicContact CD2-CD1 4.42Å; L412-E745 HydrophobicContact CD1-CB 4.3Å
413	E	90.1	Very high	90.5	Very high	12 Å²	12	26.1 Å²	26.1	6%	0.056	13%	0.126	C	C	.	.	H	α-helix	trans	-66.6	-38.6	-179.8	-67.8	-55.5	139.5	0	0	112.7	T409 K416 R417 A873 I876	T409-E413 WeakPolarHBondContact O-CG 3.5Å; T409-E413 PolarHBondContact O-N 2.99Å; E413-K416 WeakPolarHBondContact OE1-CD 3.38Å; E413-K416 WeakPolarHBondContact OE1-CE 3.11Å; E413-K416 IonicContact OE1-NZ 2.92Å; E413-K416 PolarHBondContact OE1-NZ 2.81Å; E413-K416 VanDerWaalsContact OE2-CD 3.26Å; E413-K416 WeakPolarHBondContact OE2-CD 3.5Å; E413-K416 IonicContact OE2-NZ 3.02Å; E413-K416 PolarHBondContact OE2-NZ 2.75Å; E413-R417 WeakPolarHBondContact O-CG 3.32Å; E413-R417 PolarHBondContact O-N 3.03Å; E413-A873 HydrophobicContact CG-CB 4.47Å; E413-I876 HydrophobicContact CB-CB 4.2Å; E413-I876 HydrophobicContact CB-CD1 4.24Å; E413-I876 HydrophobicContact CB-CG2 3.85Å
414	F	90.4	Very high	89.9	Confident	69 Å²	69	25.6 Å²	25.6	30%	0.303	12%	0.122	S	C	.	.	H	α-helix	trans	-73.7	-27.5	170.1	-78.1	-75.9	0	0	0	113.2	W326 V410 R417 R418 I876	W326-F414 HydrophobicContact CH2-CB 4.3Å; W326-F414 HydrophobicContact CZ2-CB 3.52Å; W326-F414 HydrophobicContact CZ2-CG 4.45Å; V410-F414 HydrophobicContact CG1-CD2 3.68Å; V410-F414 HydrophobicContact CG1-CE2 3.85Å; V410-F414 WeakPolarHBondContact O-CD2 3.48Å; V410-F414 PolarHBondContact O-N 2.83Å; F414-R417 PolarHBondContact O-N 3.23Å; F414-R418 WeakPolarHBondContact O-CB 3.46Å; F414-R418 PolarHBondContact O-N 2.63Å; F414-I876 HydrophobicContact CD2-CD1 4.44Å; F414-I876 HydrophobicContact CE2-CD1 4.05Å
415	W	91.9	Very high	89.3	Confident	0 Å²	0	28.7 Å²	28.7	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-66.2	-43.2	171	177.2	-118.2	0	0	0	111.7	L319 A322 W323 W326 F411 L412 R417 R418 R419 L422 I737	L319-W415 HydrophobicContact CD1-CH2 3.96Å; L319-W415 HydrophobicContact CD1-CZ2 4.06Å; A322-W415 HydrophobicContact CB-CH2 4.43Å; W323-W415 HydrophobicContact CB-CH2 3.64Å; W323-W415 HydrophobicContact CB-CZ2 3.7Å; W323-W415 HydrophobicContact CB-CZ3 4.2Å; W323-W415 AromaticContact CD1-CD2 3.78Å; W323-W415 AromaticContact CD1-CE2 3.51Å; W323-W415 AromaticContact CD1-CZ2 3.82Å; W323-W415 AromaticContact CD1-NE1 3.68Å; W323-W415 HydrophobicContact CG-CH2 4.42Å; W323-W415 HydrophobicContact CG-CZ2 4.15Å; W326-W415 HydrophobicContact CB-CE3 3.93Å; W326-W415 HydrophobicContact CB-CZ3 3.98Å; W326-W415 AromaticContact CD1-CE3 3.6Å; W326-W415 HydrophobicContact CD2-CE3 4.5Å; W326-W415 AromaticContact CG-CE3 3.72Å; W326-W415 HydrophobicContact CG-CE3 3.72Å; W326-W415 HydrophobicContact CG-CZ3 4.23Å; F411-W415 VanDerWaalsContact O-CB 3.31Å; F411-W415 WeakPolarHBondContact O-CB 3.32Å; F411-W415 PolarHBondContact O-N 3Å; L412-W415 PolarHBondContact O-N 2.96Å; L412-W415 VanDerWaalsContact O-N 3.11Å; W415-R417 PolarHBondContact O-N 2.82Å; W415-R418 HydrophobicContact CE3-CB 4.03Å; W415-R418 HydrophobicContact CE3-CG 4.2Å; W415-R418 HydrophobicContact CZ3-CB 4.3Å; W415-R418 HydrophobicContact CZ3-CG 4Å; W415-R418 PolarHBondContact O-N 2.84Å; W415-R419 HydrophobicContact CZ2-CB 4.03Å; W415-R419 WeakPolarHBondContact O-CG 3.5Å; W415-R419 PolarHBondContact O-N 3.06Å; W415-L422 HydrophobicContact CH2-CD1 4.34Å; W415-L422 HydrophobicContact CZ3-CD1 4.47Å; W415-I737 HydrophobicContact CZ2-CG2 4.04Å
416	K	89.4	Confident	88.9	Confident	33 Å²	33	28.4 Å²	28.4	14%	0.143	14%	0.137	C	C	.	.	H	α-helix	trans	-51.7	-45	171.9	-68.6	156	114.5	-150.7	0	111.1	L412 E413 R419 A420 Y741 D878	L412-K416 WeakPolarHBondContact O-CG 3.47Å; L412-K416 PolarHBondContact O-N 3.49Å; E413-K416 WeakPolarHBondContact OE1-CD 3.38Å; E413-K416 WeakPolarHBondContact OE1-CE 3.11Å; E413-K416 IonicContact OE1-NZ 2.92Å; E413-K416 PolarHBondContact OE1-NZ 2.81Å; E413-K416 VanDerWaalsContact OE2-CD 3.26Å; E413-K416 WeakPolarHBondContact OE2-CD 3.5Å; E413-K416 IonicContact OE2-NZ 3.02Å; E413-K416 PolarHBondContact OE2-NZ 2.75Å; K416-R419 WeakPolarHBondContact O-CG 3.28Å; K416-A420 WeakPolarHBondContact O-CB 3.39Å; K416-A420 PolarHBondContact O-N 2.98Å; K416-A420 VanDerWaalsContact O-N 3.12Å; K416-Y741 HydrophobicContact CD-CE2 4.16Å; K416-Y741 WeakPolarHBondContact CD-OH 3.46Å; K416-Y741 VanDerWaalsContact CE-OH 3.31Å; K416-Y741 WeakPolarHBondContact CE-OH 3.43Å; K416-Y741 HydrophobicContact CG-CE2 3.71Å; K416-D878 WeakPolarHBondContact CD-OD1 3.29Å; K416-D878 WeakPolarHBondContact CE-OD1 3.47Å; K416-D878 IonicContact NZ-OD1 3.75Å; K416-D878 PolarHBondContact NZ-OD1 3.33Å; K416-D878 IonicContact NZ-OD2 2.72Å
417	R	89.2	Confident	88.3	Confident	65 Å²	65	28.2 Å²	28.2	25%	0.245	13%	0.134	C	C	.	.	H	α-helix	trans	-68.1	-37.4	176	-67.7	171.1	66.2	-175.3	2.4	113.6	E413 F414 W415 V421 I876 P877 D878	E413-R417 WeakPolarHBondContact O-CG 3.32Å; E413-R417 PolarHBondContact O-N 3.03Å; F414-R417 PolarHBondContact O-N 3.23Å; W415-R417 PolarHBondContact O-N 2.82Å; R417-V421 WeakPolarHBondContact O-CG2 3.36Å; R417-V421 PolarHBondContact O-N 3.44Å; R417-I876 VanDerWaalsContact CD-CG2 3.43Å; R417-P877 VanDerWaalsContact CD-O 3.23Å; R417-P877 WeakPolarHBondContact CD-O 3.4Å; R417-P877 VanDerWaalsContact CG-O 3.3Å; R417-P877 WeakPolarHBondContact CG-O 3.38Å; R417-D878 WeakPolarHBondContact CA-O 3.49Å; R417-D878 WeakPolarHBondContact CG-O 3.46Å
418	R	87.9	Confident	87.4	Confident	85 Å²	85	27.9 Å²	27.9	32%	0.321	13%	0.134	S	C	.	.	H	α-helix	trans	-73.4	-42.6	178.7	-176.4	55.8	176.7	155.5	1.2	112	W326 F414 W415 A420 V421 L422	W326-R418 HydrophobicContact CD2-CB 4.49Å; W326-R418 HydrophobicContact CD2-CG 4.42Å; W326-R418 HydrophobicContact CE3-CB 4.49Å; W326-R418 HydrophobicContact CE3-CG 4.13Å; F414-R418 WeakPolarHBondContact O-CB 3.46Å; F414-R418 PolarHBondContact O-N 2.63Å; W415-R418 HydrophobicContact CE3-CB 4.03Å; W415-R418 HydrophobicContact CE3-CG 4.2Å; W415-R418 HydrophobicContact CZ3-CB 4.3Å; W415-R418 HydrophobicContact CZ3-CG 4Å; W415-R418 PolarHBondContact O-N 2.84Å; R418-A420 VanDerWaalsContact C-N 3.31Å; R418-A420 PolarHBondContact O-N 2.87Å; R418-V421 PolarHBondContact O-N 2.75Å; R418-L422 HydrophobicContact CG-CD1 4.17Å; R418-L422 WeakPolarHBondContact O-CG 3.44Å; R418-L422 PolarHBondContact O-N 2.77Å
419	R	88.3	Confident	86.2	Confident	52 Å²	52	31 Å²	31	20%	0.196	15%	0.149	C	C	.	.	H	α-helix	trans	-62.3	-37.4	173.5	72.9	173.9	-179.5	177.7	-6.3	111.5	W415 K416 V421 L422 A423 D736	W415-R419 HydrophobicContact CZ2-CB 4.03Å; W415-R419 WeakPolarHBondContact O-CG 3.5Å; W415-R419 PolarHBondContact O-N 3.06Å; K416-R419 WeakPolarHBondContact O-CG 3.28Å; R419-V421 VanDerWaalsContact C-N 3.34Å; R419-V421 PolarHBondContact O-N 2.92Å; R419-L422 PolarHBondContact O-N 3.44Å; R419-A423 VanDerWaalsContact O-CB 3.23Å; R419-A423 WeakPolarHBondContact O-CB 3.22Å; R419-A423 PolarHBondContact O-N 3.38Å; R419-D736 IonicContact NH1-OD2 2.77Å; R419-D736 PolarHBondContact NH1-OD2 3.24Å
420	A	87.2	Confident	84.6	Confident	20 Å²	20	34.7 Å²	34.7	17%	0.165	17%	0.168	C	C	.	.	H	α-helix	trans	-65.3	-36.9	177.5	0	0	0	0	0	112.6	K416 R418 Y424 L879 L883	K416-A420 WeakPolarHBondContact O-CB 3.39Å; K416-A420 PolarHBondContact O-N 2.98Å; K416-A420 VanDerWaalsContact O-N 3.12Å; R418-A420 VanDerWaalsContact C-N 3.31Å; R418-A420 PolarHBondContact O-N 2.87Å; A420-Y424 PolarHBondContact O-N 3.06Å; A420-L879 HydrophobicContact CB-CD2 3.92Å; A420-L883 HydrophobicContact CB-CD2 4.18Å; A420-L883 WeakPolarHBondContact O-CD2 3.37Å
421	V	86.3	Confident	82.8	Confident	26 Å²	26	35.3 Å²	35.3	16%	0.158	17%	0.167	C	C	.	.	H	α-helix	trans	-67.7	-47.5	172.6	170.2	0	0	0	0	111.1	R417 R418 R419 A423 Y424 D425 P880 L883	R417-V421 WeakPolarHBondContact O-CG2 3.36Å; R417-V421 PolarHBondContact O-N 3.44Å; R418-V421 PolarHBondContact O-N 2.75Å; R419-V421 VanDerWaalsContact C-N 3.34Å; R419-V421 PolarHBondContact O-N 2.92Å; V421-A423 VanDerWaalsContact C-N 3.33Å; V421-A423 PolarHBondContact O-N 3.03Å; V421-Y424 WeakPolarHBondContact O-CB 3.14Å; V421-Y424 PolarHBondContact O-N 3.38Å; V421-Y424 VanDerWaalsContact O-N 3.13Å; V421-D425 WeakPolarHBondContact CG1-OD2 3.39Å; V421-D425 WeakPolarHBondContact O-CB 3.39Å; V421-D425 VanDerWaalsContact O-CG 3.23Å; V421-D425 PolarHBondContact O-N 3.31Å; V421-P880 HydrophobicContact CG2-CG 3.6Å; V421-L883 HydrophobicContact CG2-CD2 4.14Å
422	L	86.7	Confident	80.7	Confident	4 Å²	4	41.4 Å²	41.4	2%	0.021	20%	0.195	C	C	.	.	H	α-helix	trans	-62.8	-38.4	177	-67.8	169.7	0	0	0	112.4	L319 A322 W415 R418 R419 Y424 D425 W426	L319-L422 HydrophobicContact CD1-CD1 4.32Å; A322-L422 HydrophobicContact CB-CD1 3.62Å; W415-L422 HydrophobicContact CH2-CD1 4.34Å; W415-L422 HydrophobicContact CZ3-CD1 4.47Å; R418-L422 HydrophobicContact CG-CD1 4.17Å; R418-L422 WeakPolarHBondContact O-CG 3.44Å; R418-L422 PolarHBondContact O-N 2.77Å; R419-L422 PolarHBondContact O-N 3.44Å; L422-Y424 VanDerWaalsContact C-N 3.26Å; L422-Y424 PolarHBondContact O-N 2.89Å; L422-D425 PolarHBondContact O-N 2.94Å; L422-W426 HydrophobicContact CB-CD2 4.47Å; L422-W426 HydrophobicContact CB-CE3 4.41Å; L422-W426 HydrophobicContact CD2-CH2 4.31Å; L422-W426 HydrophobicContact CD2-CZ2 3.86Å; L422-W426 WeakPolarHBondContact O-CB 3.22Å; L422-W426 VanDerWaalsContact O-CG 3.24Å; L422-W426 PolarHBondContact O-N 2.98Å
423	A	86.2	Confident	78.7	Confident	11 Å²	11	50.2 Å²	50.2	9%	0.091	24%	0.236	C	C	.	.	H	α-helix	trans	-66.8	-27.2	176.3	0	0	0	0	0	112.7	R419 V421 D427 L428 I429	R419-A423 VanDerWaalsContact O-CB 3.23Å; R419-A423 WeakPolarHBondContact O-CB 3.22Å; R419-A423 PolarHBondContact O-N 3.38Å; V421-A423 VanDerWaalsContact C-N 3.33Å; V421-A423 PolarHBondContact O-N 3.03Å; A423-D427 PolarHBondContact O-N 2.97Å; A423-L428 HydrophobicContact CB-CB 4.15Å; A423-L428 WeakPolarHBondContact O-CA 3.47Å; A423-L428 WeakPolarHBondContact O-CB 3.23Å; A423-L428 PolarHBondContact O-N 3.32Å; A423-I429 HydrophobicContact CB-CG1 4.22Å
424	Y	82.8	Confident	76.8	Confident	39 Å²	39	54.5 Å²	54.5	15%	0.153	26%	0.256	C	S	.	.	H	α-helix	trans	-77.3	-55.7	170.3	-177.6	-100.7	0	0	0	111.8	A420 V421 L422 W426 D427 I429 L883 R886 M887 E890	A420-Y424 PolarHBondContact O-N 3.06Å; V421-Y424 WeakPolarHBondContact O-CB 3.14Å; V421-Y424 PolarHBondContact O-N 3.38Å; V421-Y424 VanDerWaalsContact O-N 3.13Å; L422-Y424 VanDerWaalsContact C-N 3.26Å; L422-Y424 PolarHBondContact O-N 2.89Å; Y424-W426 PolarHBondContact O-N 3.47Å; Y424-D427 PolarHBondContact O-N 3.4Å; Y424-I429 HydrophobicContact CD2-CD1 3.99Å; Y424-L883 HydrophobicContact CD1-CD1 3.56Å; Y424-L883 HydrophobicContact CD2-CD1 3.64Å; Y424-L883 HydrophobicContact CE1-CD1 4.27Å; Y424-L883 HydrophobicContact CE2-CD1 4.34Å; Y424-L883 HydrophobicContact CG-CD1 3.2Å; Y424-R886 HydrophobicContact CE1-CB 4.15Å; Y424-M887 HydrophobicContact CD2-CG 3.63Å; Y424-M887 HydrophobicContact CD2-SD 4.45Å; Y424-M887 HydrophobicContact CE2-CG 3.64Å; Y424-E890 WeakPolarHBondContact CE2-OE2 3.27Å; Y424-E890 PolarHBondContact OH-OE2 3.47Å
425	D	81.1	Confident	75	Confident	67 Å²	67	57 Å²	57	36%	0.358	27%	0.269	S	S	.	.	H	α-helix	trans	-62.2	-15.7	-178.3	-58	-25.5	0	0	0	111.9	R310 V421 L422 R886	R310-D425 PolarHBondContact NH1-O 3.04Å; V421-D425 WeakPolarHBondContact CG1-OD2 3.39Å; V421-D425 WeakPolarHBondContact O-CB 3.39Å; V421-D425 VanDerWaalsContact O-CG 3.23Å; V421-D425 PolarHBondContact O-N 3.31Å; L422-D425 PolarHBondContact O-N 2.94Å; D425-R886 IonicContact OD1-NH1 2.75Å; D425-R886 PolarHBondContact OD1-NH1 3.42Å; D425-R886 VanDerWaalsContact OD1-NH1 3.12Å
426	W	82.9	Confident	73.5	Confident	0 Å²	0	61 Å²	61	0%	0	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	-110.3	13.7	174.5	-58.2	-12.9	0	0	0	115.8	L306 D307 R310 E315 L319 A322 L422 Y424 L428	L306-W426 HydrophobicContact CB-CZ2 4.22Å; D307-W426 PolarHBondContact OD1-NE1 2.93Å; R310-W426 VanDerWaalsContact CD-CD1 3.49Å; R310-W426 VanDerWaalsContact CZ-CA 3.48Å; R310-W426 PolarHBondContact NH2-O 2.87Å; E315-W426 HydrophobicContact CB-CE3 4.38Å; E315-W426 HydrophobicContact CG-CB 4.41Å; E315-W426 HydrophobicContact CG-CE3 4.3Å; L319-W426 HydrophobicContact CB-CZ3 4.02Å; L319-W426 HydrophobicContact CD1-CZ3 4.11Å; A322-W426 HydrophobicContact CB-CH2 4.27Å; L422-W426 HydrophobicContact CB-CD2 4.47Å; L422-W426 HydrophobicContact CB-CE3 4.41Å; L422-W426 HydrophobicContact CD2-CH2 4.31Å; L422-W426 HydrophobicContact CD2-CZ2 3.86Å; L422-W426 WeakPolarHBondContact O-CB 3.22Å; L422-W426 VanDerWaalsContact O-CG 3.24Å; L422-W426 PolarHBondContact O-N 2.98Å; Y424-W426 PolarHBondContact O-N 3.47Å; W426-L428 VanDerWaalsContact C-N 3.29Å; W426-L428 HydrophobicContact CB-CD1 3.87Å; W426-L428 HydrophobicContact CB-CG 4.17Å; W426-L428 HydrophobicContact CE3-CD1 4.04Å; W426-L428 PolarHBondContact O-N 2.84Å
427	D	79	Confident	72.3	Confident	38 Å²	38	62.9 Å²	62.9	20%	0.203	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	61.8	32.2	171.8	-38.3	-86	0	0	0	113.8	R152 T205 R310 A423 Y424 W431	R152-D427 HydrophobicContact CB-CB 4.48Å; R152-D427 PolarHBondContact NE-O 3.23Å; R152-D427 VanDerWaalsContact NE-O 3.09Å; R152-D427 PolarHBondContact NH2-O 2.68Å; T205-D427 WeakPolarHBondContact CB-OD1 2.89Å; T205-D427 WeakPolarHBondContact CG2-OD1 3.41Å; T205-D427 PolarHBondContact OG1-OD1 2.69Å; R310-D427 IonicContact CZ-OD2 2.81Å; R310-D427 IonicContact NH1-OD2 3.33Å; R310-D427 IonicContact NH2-OD2 2.75Å; R310-D427 PolarHBondContact NH2-OD2 2.74Å; A423-D427 PolarHBondContact O-N 2.97Å; Y424-D427 PolarHBondContact O-N 3.4Å; D427-W431 PolarHBondContact O-NE1 2.71Å
428	L	77.3	Confident	71.6	Confident	7 Å²	7	61.4 Å²	61.4	4%	0.037	30%	0.296	C	S	.	.			trans	-99.7	-7	-168.8	-74	166.7	0	0	0	115.6	E315 A423 W426 D430 Q733 A734	E315-L428 HydrophobicContact CB-CD1 4.2Å; E315-L428 HydrophobicContact CB-CD2 4.43Å; E315-L428 HydrophobicContact CG-CD1 4.11Å; E315-L428 HydrophobicContact CG-CD2 4.21Å; E315-L428 HydrophobicContact CG-CG 4.42Å; A423-L428 HydrophobicContact CB-CB 4.15Å; A423-L428 WeakPolarHBondContact O-CA 3.47Å; A423-L428 WeakPolarHBondContact O-CB 3.23Å; A423-L428 PolarHBondContact O-N 3.32Å; W426-L428 VanDerWaalsContact C-N 3.29Å; W426-L428 HydrophobicContact CB-CD1 3.87Å; W426-L428 HydrophobicContact CB-CG 4.17Å; W426-L428 HydrophobicContact CE3-CD1 4.04Å; W426-L428 PolarHBondContact O-N 2.84Å; L428-D430 PolarHBondContact O-N 2.94Å; L428-Q733 HydrophobicContact CD2-CB 4.12Å; L428-Q733 HydrophobicContact CD2-CG 4.34Å; L428-A734 WeakPolarHBondContact CD1-O 3.47Å
429	I	66.6	Low	71.1	Confident	67 Å²	67	58.9 Å²	58.9	34%	0.344	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-35.3	-164.1	-72.2	178.1	0	0	0	114.8	A423 Y424 M887	A423-I429 HydrophobicContact CB-CG1 4.22Å; Y424-I429 HydrophobicContact CD2-CD1 3.99Å; I429-M887 HydrophobicContact CD1-CE 3.64Å; I429-M887 HydrophobicContact CD1-SD 3.97Å; I429-M887 HydrophobicContact CG2-CE 4.08Å
430	D	58.5	Low	70.3	Confident	92 Å²	92	58.9 Å²	58.9	49%	0.492	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.6	0.1	-164.4	-42.9	-93.9	0	0	0	113.8	R152 L428	R152-D430 IonicContact CZ-OD2 2.68Å; R152-D430 IonicContact NH1-OD2 2.69Å; R152-D430 PolarHBondContact NH1-OD2 2.98Å; R152-D430 IonicContact NH2-OD2 2.71Å; R152-D430 PolarHBondContact NH2-OD2 2.92Å; L428-D430 PolarHBondContact O-N 2.94Å
431	W	52.6	Low	69.5	Low	49 Å²	49	63.8 Å²	63.8	19%	0.186	31%	0.313	C	S	.	.	G	3₁₀ helix	trans	-73.6	-27.5	-173	-67.6	99.5	0	0	0	114.8	M149 N150 R152 D427 E433 E434	M149-W431 VanDerWaalsContact O-CZ3 3.31Å; M149-W431 WeakPolarHBondContact O-CZ3 3.1Å; N150-W431 HydrophobicContact CB-CZ3 4.2Å; N150-W431 VanDerWaalsContact O-CH2 3.32Å; N150-W431 WeakPolarHBondContact O-CH2 3.46Å; R152-W431 HydrophobicContact CB-CZ2 4.36Å; R152-W431 HydrophobicContact CG-CZ2 4.12Å; D427-W431 PolarHBondContact O-NE1 2.71Å; W431-E433 VanDerWaalsContact C-N 3.25Å; W431-E433 PolarHBondContact O-N 3.36Å; W431-E434 PolarHBondContact O-N 2.95Å
432	E	49	Very low	69.1	Low	128 Å²	128	63 Å²	63	60%	0.598	31%	0.307	S	S	*	.	G	3₁₀ helix	trans	-78.7	-11.1	-168.8	-153	177.6	-121.4	0	0	113.3	K735	E432-K735 WeakPolarHBondContact OE1-CD 3.39Å; E432-K735 WeakPolarHBondContact OE1-CE 3.18Å; E432-K735 IonicContact OE1-NZ 3.34Å; E432-K735 PolarHBondContact OE1-NZ 3Å; E432-K735 IonicContact OE2-NZ 3.71Å; E432-K735 PolarHBondContact OE2-NZ 2.95Å
433	E	50.5	Low	68.5	Low	190 Å²	190	65.8 Å²	65.8	89%	0.888	32%	0.32	S	S	*	.	G	3₁₀ helix	trans	-85.8	-8.3	167.6	-62.3	-170.2	152.7	0	0	112.3	W431	W431-E433 VanDerWaalsContact C-N 3.25Å; W431-E433 PolarHBondContact O-N 3.36Å
434	E	49.6	Very low	67.8	Low	103 Å²	103	66.8 Å²	66.8	48%	0.481	33%	0.328	S	S	.	.	S	Bend	trans	-116.6	88.3	-177.2	-66.2	-163.6	141.1	0	0	113.7	N150 W431	N150-E434 PolarHBondContact ND2-OE1 3.48Å; N150-E434 VanDerWaalsContact ND2-OE1 3.11Å; N150-E434 PolarHBondContact ND2-OE2 3.5Å; W431-E434 PolarHBondContact O-N 2.95Å
435	E	51.7	Low	67.4	Low	120 Å²	120	69 Å²	69	56%	0.561	34%	0.339	S	S	*	.			trans	55.2	61.3	160.6	-56.3	-162	165.9	0	0	118.4	E437 K458	E435-E437 PolarHBondContact O-N 3.09Å; E435-K458 IonicContact OE1-NZ 2.74Å; E435-K458 PolarHBondContact OE1-NZ 3.39Å; E435-K458 IonicContact OE2-NZ 2.84Å
436	D	59.8	Low	67.3	Low	84 Å²	84	66.5 Å²	66.5	45%	0.449	33%	0.325	S	S	.	.	P	Polyproline II helix	trans	-51.8	122.3	164.4	-164.4	44.3	0	0	0	111.3	I438 T554	D436-I438 PolarHBondContact O-N 3.25Å; D436-T554 HydrophobicContact CB-CG2 4.2Å; D436-T554 WeakPolarHBondContact OD2-CB 3.25Å; D436-T554 VanDerWaalsContact OD2-CG2 3.28Å; D436-T554 WeakPolarHBondContact OD2-CG2 3.4Å; D436-T554 PolarHBondContact OD2-OG1 3.01Å
437	E	66.3	Low	66.7	Low	74 Å²	74	68 Å²	68	35%	0.346	34%	0.335	S	S	.	.	P	Polyproline II helix	trans	-67.4	128.7	-160.3	-63.9	-162.6	109.8	0	0	113.4	H236 R240 E435 T554	H236-E437 IonicContact CE1-OE1 3.65Å; H236-E437 PolarHBondContact CE1-OE1 2.77Å; H236-E437 IonicContact ND1-OE1 2.77Å; H236-E437 PolarHBondContact ND1-OE1 3.48Å; H236-E437 IonicContact ND1-OE2 3.87Å; R240-E437 IonicContact CZ-OE1 3.86Å; R240-E437 IonicContact NE-OE1 3.37Å; R240-E437 PolarHBondContact NE-OE1 3.11Å; R240-E437 IonicContact NH2-OE1 3.32Å; R240-E437 PolarHBondContact NH2-OE1 2.93Å; E435-E437 PolarHBondContact O-N 3.09Å; E437-T554 WeakPolarHBondContact O-CA 3.36Å; E437-T554 WeakPolarHBondContact O-CB 2.99Å
438	I	73.1	Confident	66.3	Low	34 Å²	34	75.8 Å²	75.8	17%	0.174	37%	0.367	C	S	.	.	B	Isolated β-bridge	trans	-74.1	129.5	178	-51.1	-179.9	0	0	0	109.5	D436 F442 E443 P461 R553	D436-I438 PolarHBondContact O-N 3.25Å; I438-F442 HydrophobicContact CG2-CB 4.41Å; I438-F442 HydrophobicContact CG2-CD1 3.85Å; I438-E443 HydrophobicContact CB-CG 4.3Å; I438-E443 HydrophobicContact CG2-CG 3.69Å; I438-P461 HydrophobicContact CD1-CG 4.39Å; I438-R553 HydrophobicContact CG1-CG 4.48Å; I438-R553 HydrophobicContact CG2-CG 4.24Å
439	R	77.1	Confident	66.3	Low	31 Å²	31	81.8 Å²	81.8	12%	0.117	39%	0.393	C	S	.	.	P	Polyproline II helix	trans	-66.5	128.9	-179.3	-63.6	175.1	79.7	-138.4	10.6	110.2	Q441 F442 E443 R553 T554 E555 W558	R439-Q441 PolarHBondContact O-N 3.45Å; R439-F442 HydrophobicContact CB-CB 4.5Å; R439-F442 WeakPolarHBondContact O-CA 3.44Å; R439-F442 VanDerWaalsContact O-CB 3.32Å; R439-F442 WeakPolarHBondContact O-CB 3.5Å; R439-F442 PolarHBondContact O-N 3.27Å; R439-E443 PolarHBondContact O-N 2.94Å; R439-R553 PolarHBondContact N-O 3.07Å; R439-T554 WeakPolarHBondContact CD-O 3.32Å; R439-E555 HydrophobicContact CG-CB 4.44Å; R439-W558 VanDerWaalsContact CZ-CD1 3.48Å
440	P	71.4	Confident	66.8	Low	52 Å²	52	83.9 Å²	83.9	34%	0.338	40%	0.401	S	S	.	.	H	α-helix	trans	-56.8	-23.7	179.6	-29.6	35.9	0	0	0	115	A444	P440-A444 WeakPolarHBondContact O-CB 3.27Å; P440-A444 PolarHBondContact O-N 3.46Å
441	Q	71.9	Confident	67.9	Low	123 Å²	123	86.1 Å²	86.1	58%	0.575	40%	0.403	S	S	*	.	H	α-helix	trans	-67.1	-35.9	172.9	-62.4	-179.3	1.2	0	0	112.8	R439 K445	R439-Q441 PolarHBondContact O-N 3.45Å; Q441-K445 PolarHBondContact O-N 3.47Å
442	F	78	Confident	69.3	Low	9 Å²	9	89.6 Å²	89.6	4%	0.039	42%	0.422	C	S	.	.	H	α-helix	trans	-72.7	-48.9	178.1	-175.6	-90.3	0	0	0	110.1	I438 R439 A444 K445 Y446 P461 Q463 Q551 R553	I438-F442 HydrophobicContact CG2-CB 4.41Å; I438-F442 HydrophobicContact CG2-CD1 3.85Å; R439-F442 HydrophobicContact CB-CB 4.5Å; R439-F442 WeakPolarHBondContact O-CA 3.44Å; R439-F442 VanDerWaalsContact O-CB 3.32Å; R439-F442 WeakPolarHBondContact O-CB 3.5Å; R439-F442 PolarHBondContact O-N 3.27Å; F442-A444 VanDerWaalsContact C-N 3.35Å; F442-A444 PolarHBondContact O-N 2.92Å; F442-K445 PolarHBondContact O-N 3.44Å; F442-Y446 HydrophobicContact CD1-CD2 4.24Å; F442-Y446 AromaticContact CD2-CD2 3.73Å; F442-Y446 HydrophobicContact CD2-CD2 3.73Å; F442-Y446 AromaticContact CD2-CE2 3.91Å; F442-Y446 HydrophobicContact CD2-CE2 3.91Å; F442-Y446 HydrophobicContact CE1-CD2 4.16Å; F442-Y446 AromaticContact CE2-CD2 3.64Å; F442-Y446 HydrophobicContact CE2-CD2 3.64Å; F442-Y446 AromaticContact CE2-CE2 3.75Å; F442-Y446 HydrophobicContact CE2-CE2 3.75Å; F442-Y446 HydrophobicContact CG-CD2 4.04Å; F442-Y446 AromaticContact CZ-CD2 3.86Å; F442-Y446 HydrophobicContact CZ-CD2 3.86Å; F442-Y446 HydrophobicContact CZ-CE2 4.35Å; F442-Y446 HydrophobicContact CZ-CG 4.38Å; F442-Y446 WeakPolarHBondContact O-CD2 3.35Å; F442-Y446 PolarHBondContact O-N 3.02Å; F442-P461 HydrophobicContact CD1-CB 4.41Å; F442-P461 HydrophobicContact CD1-CG 4.21Å; F442-P461 HydrophobicContact CE1-CB 4.16Å; F442-P461 HydrophobicContact CE1-CG 4.17Å; F442-P461 WeakPolarHBondContact CE1-O 3.31Å; F442-Q463 HydrophobicContact CE2-CB 4.03Å; F442-Q463 HydrophobicContact CZ-CB 3.95Å; F442-Q551 WeakPolarHBondContact CD2-O 3.3Å; F442-R553 HydrophobicContact CD1-CG 4.44Å; F442-R553 HydrophobicContact CE1-CB 4.48Å; F442-R553 HydrophobicContact CE1-CG 4.26Å; F442-R553 HydrophobicContact CE2-CB 4.35Å; F442-R553 HydrophobicContact CZ-CB 4.32Å
443	E	73.3	Confident	70.7	Confident	63 Å²	63	85.1 Å²	85.1	29%	0.294	40%	0.403	S	S	.	.	H	α-helix	trans	-54	-50	174	-57.2	-171.2	139.4	0	0	111.6	I438 R439 K445 Y446 S447 P461	I438-E443 HydrophobicContact CB-CG 4.3Å; I438-E443 HydrophobicContact CG2-CG 3.69Å; R439-E443 PolarHBondContact O-N 2.94Å; E443-K445 PolarHBondContact O-N 3.48Å; E443-K445 VanDerWaalsContact O-N 3.12Å; E443-Y446 PolarHBondContact O-N 3.29Å; E443-S447 WeakPolarHBondContact O-CA 3.46Å; E443-S447 WeakPolarHBondContact O-CB 3.49Å; E443-S447 PolarHBondContact O-N 2.99Å; E443-P461 HydrophobicContact CG-CG 4.44Å
444	A	71.4	Confident	72.1	Confident	32 Å²	32	81.9 Å²	81.9	26%	0.264	40%	0.398	S	S	.	.	H	α-helix	trans	-62.3	-22.2	-177.2	0	0	0	0	0	114.2	N248 P440 F442	N248-A444 HydrophobicContact CB-CB 4.14Å; N248-A444 PolarHBondContact ND2-O 3.46Å; P440-A444 WeakPolarHBondContact O-CB 3.27Å; P440-A444 PolarHBondContact O-N 3.46Å; F442-A444 VanDerWaalsContact C-N 3.35Å; F442-A444 PolarHBondContact O-N 2.92Å
445	K	75.1	Confident	73.3	Confident	86 Å²	86	84.4 Å²	84.4	37%	0.374	41%	0.413	S	S	.	.	H	α-helix	trans	-92.3	-45	173.7	-173.8	-175.1	174.3	-160.6	0	112.6	Q441 F442 E443	Q441-K445 PolarHBondContact O-N 3.47Å; F442-K445 PolarHBondContact O-N 3.44Å; E443-K445 PolarHBondContact O-N 3.48Å; E443-K445 VanDerWaalsContact O-N 3.12Å
446	Y	77.3	Confident	74.3	Confident	15 Å²	15	80.6 Å²	80.6	6%	0.059	40%	0.4	C	S	.	.	H	α-helix	trans	-94.3	1.8	-171.7	-65.8	-75.9	0	0	0	114.4	F442 E443 K448 K449 Q463 D467	F442-Y446 HydrophobicContact CD1-CD2 4.24Å; F442-Y446 AromaticContact CD2-CD2 3.73Å; F442-Y446 HydrophobicContact CD2-CD2 3.73Å; F442-Y446 AromaticContact CD2-CE2 3.91Å; F442-Y446 HydrophobicContact CD2-CE2 3.91Å; F442-Y446 HydrophobicContact CE1-CD2 4.16Å; F442-Y446 AromaticContact CE2-CD2 3.64Å; F442-Y446 HydrophobicContact CE2-CD2 3.64Å; F442-Y446 AromaticContact CE2-CE2 3.75Å; F442-Y446 HydrophobicContact CE2-CE2 3.75Å; F442-Y446 HydrophobicContact CG-CD2 4.04Å; F442-Y446 AromaticContact CZ-CD2 3.86Å; F442-Y446 HydrophobicContact CZ-CD2 3.86Å; F442-Y446 HydrophobicContact CZ-CE2 4.35Å; F442-Y446 HydrophobicContact CZ-CG 4.38Å; F442-Y446 WeakPolarHBondContact O-CD2 3.35Å; F442-Y446 PolarHBondContact O-N 3.02Å; E443-Y446 PolarHBondContact O-N 3.29Å; Y446-K448 PolarHBondContact O-N 3.14Å; Y446-K449 CarbonylContact O-C 3.49Å; Y446-K449 WeakPolarHBondContact O-CA 3.38Å; Y446-K449 PolarHBondContact O-N 3.05Å; Y446-Q463 HydrophobicContact CD1-CB 4.43Å; Y446-Q463 HydrophobicContact CE1-CB 4.06Å; Y446-Q463 HydrophobicContact CE1-CG 3.99Å; Y446-Q463 HydrophobicContact CE2-CB 4.35Å; Y446-Q463 HydrophobicContact CE2-CG 4.38Å; Y446-Q463 PolarHBondContact OH-NE2 2.93Å; Y446-D467 PolarHBondContact OH-OD2 2.95Å
447	S	71	Confident	75.2	Confident	31 Å²	31	78.7 Å²	78.7	22%	0.217	40%	0.4	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.4	-12.8	174.1	154.7	0	0	0	0	116.1	E443	E443-S447 WeakPolarHBondContact O-CA 3.46Å; E443-S447 WeakPolarHBondContact O-CB 3.49Å; E443-S447 PolarHBondContact O-N 2.99Å
448	K	71.7	Confident	75.8	Confident	202 Å²	202	80 Å²	80	88%	0.878	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.9	1.9	170.9	-66.1	-167.5	177.9	-172.7	0	114.1	Y446	Y446-K448 PolarHBondContact O-N 3.14Å
449	K	75.6	Confident	76	Confident	133 Å²	133	82.2 Å²	82.2	58%	0.578	42%	0.422	S	S	*	.	S	Bend	trans	-137.6	75.1	-176	-68.4	-169.4	176.8	-172.6	0	109.5	Y446 Y462	Y446-K449 CarbonylContact O-C 3.49Å; Y446-K449 WeakPolarHBondContact O-CA 3.38Å; Y446-K449 PolarHBondContact O-N 3.05Å; K449-Y462 PolarHBondContact O-N 2.84Å
450	E	78.4	Confident	76	Confident	110 Å²	110	82 Å²	82	51%	0.514	42%	0.422	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	145.7	176.7	-66.6	168.9	-170.3	0	0	110.5	P459 E460	E450-P459 HydrophobicContact CB-CB 4.31Å; E450-E460 CarbonylContact C-O 3.55Å; E450-E460 VanDerWaalsContact CA-O 3.32Å; E450-E460 WeakPolarHBondContact CA-O 3.37Å
451	R	81.9	Confident	76.5	Confident	139 Å²	139	80.4 Å²	80.4	53%	0.525	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	138.4	171.8	-180	-178.8	174.1	176	-0	108.3	N453 E460 Y462	R451-N453 PolarHBondContact O-N 3.05Å; R451-E460 PolarHBondContact N-O 3.11Å; R451-E460 PolarHBondContact O-N 3.05Å; R451-Y462 HydrophobicContact CB-CG 4.12Å
452	M	80.6	Confident	77	Confident	122 Å²	122	79.4 Å²	79.4	60%	0.601	40%	0.403	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-64.5	122.2	171.8	-154.3	70.3	151.1	0	0	109.9	G457	M452-G457 WeakPolarHBondContact CE-O 3.25Å
453	N	78.1	Confident	77.2	Confident	35 Å²	35	79.7 Å²	79.7	19%	0.187	41%	0.405	C	S	.	.			trans	-75.6	125.6	172.8	174.4	-9.8	0	0	0	109.1	R451 I455 S456 G457 K458 E460	R451-N453 PolarHBondContact O-N 3.05Å; N453-I455 PolarHBondContact O-N 3.18Å; N453-I455 PolarHBondContact OD1-N 3.46Å; N453-S456 WeakPolarHBondContact CB-OG 3.47Å; N453-S456 PolarHBondContact ND2-OG 3.2Å; N453-G457 WeakPolarHBondContact O-CA 3.49Å; N453-G457 PolarHBondContact O-N 2.8Å; N453-K458 PolarHBondContact N-O 3.34Å; N453-E460 HydrophobicContact CB-CG 4.31Å; N453-E460 VanDerWaalsContact CB-OE1 3.26Å; N453-E460 WeakPolarHBondContact CB-OE1 3.46Å; N453-E460 PolarHBondContact ND2-OE1 2.9Å; N453-E460 PolarHBondContact ND2-OE2 3.03Å
454	P	80.4	Confident	77.7	Confident	121 Å²	121	78.2 Å²	78.2	79%	0.786	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68	-14.3	-178	29.2	-36.9	0	0	0	114.5
455	I	75.5	Confident	78.3	Confident	157 Å²	157	84 Å²	84	81%	0.805	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.2	-54.7	178.7	-55.9	172	0	0	0	110.3	N453	N453-I455 PolarHBondContact O-N 3.18Å; N453-I455 PolarHBondContact OD1-N 3.46Å
456	S	72.3	Confident	78.8	Confident	39 Å²	39	85.1 Å²	85.1	27%	0.273	44%	0.437	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.9	-18.8	-174	72.2	0	0	0	0	114	N453 K458 E460	N453-S456 WeakPolarHBondContact CB-OG 3.47Å; N453-S456 PolarHBondContact ND2-OG 3.2Å; S456-K458 PolarHBondContact O-N 3.49Å; S456-K458 PolarHBondContact OG-N 3.03Å; S456-E460 PolarHBondContact OG-OE1 2.72Å
457	G	77.9	Confident	79.2	Confident	45 Å²	45	86.2 Å²	86.2	46%	0.464	44%	0.444	S	S	.	.			trans	65.5	11.1	-172.5	0	0	0	0	0	114.1	M452 N453	M452-G457 WeakPolarHBondContact CE-O 3.25Å; N453-G457 WeakPolarHBondContact O-CA 3.49Å; N453-G457 PolarHBondContact O-N 2.8Å
458	K	78.8	Confident	80	Confident	100 Å²	100	88.9 Å²	88.9	44%	0.435	45%	0.452	S	S	.	.	S	Bend	trans	-96.7	148.7	179.3	-59.6	170.7	-173.2	172	0	110.5	E435 N453 S456 E460	E435-K458 IonicContact OE1-NZ 2.74Å; E435-K458 PolarHBondContact OE1-NZ 3.39Å; E435-K458 IonicContact OE2-NZ 2.84Å; N453-K458 PolarHBondContact N-O 3.34Å; S456-K458 PolarHBondContact O-N 3.49Å; S456-K458 PolarHBondContact OG-N 3.03Å; K458-E460 PolarHBondContact O-N 3.47Å
459	P	79	Confident	80.8	Confident	82 Å²	82	85.9 Å²	85.9	53%	0.532	44%	0.436	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	123.6	165.1	29.8	-32.2	0	0	0	109.7	E450	E450-P459 HydrophobicContact CB-CB 4.31Å
460	E	77.2	Confident	81.5	Confident	25 Å²	25	82.4 Å²	82.4	12%	0.117	43%	0.428	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	146	-178.6	-73.3	175.5	-151.2	0	0	111.4	E450 R451 N453 S456 K458 Y462 R553	E450-E460 CarbonylContact C-O 3.55Å; E450-E460 VanDerWaalsContact CA-O 3.32Å; E450-E460 WeakPolarHBondContact CA-O 3.37Å; R451-E460 PolarHBondContact N-O 3.11Å; R451-E460 PolarHBondContact O-N 3.05Å; N453-E460 HydrophobicContact CB-CG 4.31Å; N453-E460 VanDerWaalsContact CB-OE1 3.26Å; N453-E460 WeakPolarHBondContact CB-OE1 3.46Å; N453-E460 PolarHBondContact ND2-OE1 2.9Å; N453-E460 PolarHBondContact ND2-OE2 3.03Å; S456-E460 PolarHBondContact OG-OE1 2.72Å; K458-E460 PolarHBondContact O-N 3.47Å; E460-Y462 PolarHBondContact O-N 2.87Å; E460-R553 IonicContact OE2-CZ 3.15Å; E460-R553 VanDerWaalsContact OE2-CZ 3.32Å; E460-R553 IonicContact OE2-NH1 2.57Å; E460-R553 PolarHBondContact OE2-NH1 3.48Å; E460-R553 IonicContact OE2-NH2 3.41Å; E460-R553 PolarHBondContact OE2-NH2 2.99Å
461	P	81.3	Confident	82	Confident	19 Å²	19	80.1 Å²	80.1	12%	0.123	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.7	133.3	177.3	25.9	-33.4	0	0	0	111.5	I438 F442 E443	I438-P461 HydrophobicContact CD1-CG 4.39Å; F442-P461 HydrophobicContact CD1-CB 4.41Å; F442-P461 HydrophobicContact CD1-CG 4.21Å; F442-P461 HydrophobicContact CE1-CB 4.16Å; F442-P461 HydrophobicContact CE1-CG 4.17Å; F442-P461 WeakPolarHBondContact CE1-O 3.31Å; E443-P461 HydrophobicContact CG-CG 4.44Å
462	Y	82.1	Confident	82.4	Confident	102 Å²	102	77.8 Å²	77.8	40%	0.4	41%	0.412	S	S	.	.			trans	-125.7	125.7	-172.5	179.3	-106.4	0	0	0	113.1	K449 R451 E460	K449-Y462 PolarHBondContact O-N 2.84Å; R451-Y462 HydrophobicContact CB-CG 4.12Å; E460-Y462 PolarHBondContact O-N 2.87Å
463	Q	82.2	Confident	82.9	Confident	16 Å²	16	76.7 Å²	76.7	8%	0.075	41%	0.408	C	S	.	.			trans	-87	129.5	170.5	-176.2	179.7	39.5	0	0	109.9	F442 Y446 D467 K468	F442-Q463 HydrophobicContact CE2-CB 4.03Å; F442-Q463 HydrophobicContact CZ-CB 3.95Å; Y446-Q463 HydrophobicContact CD1-CB 4.43Å; Y446-Q463 HydrophobicContact CE1-CB 4.06Å; Y446-Q463 HydrophobicContact CE1-CG 3.99Å; Y446-Q463 HydrophobicContact CE2-CB 4.35Å; Y446-Q463 HydrophobicContact CE2-CG 4.38Å; Y446-Q463 PolarHBondContact OH-NE2 2.93Å; Q463-D467 PolarHBondContact NE2-OD2 3.28Å; Q463-K468 HydrophobicContact CG-CB 4.18Å
464	A	84.3	Confident	83.5	Confident	32 Å²	32	78.7 Å²	78.7	26%	0.264	42%	0.422	S	S	.	.			trans	-68.6	138.4	176.1	0	0	0	0	0	111.2	T466 D467 K468	A464-T466 VanDerWaalsContact C-N 3.26Å; A464-T466 PolarHBondContact O-N 3.32Å; A464-D467 WeakPolarHBondContact O-CB 3.43Å; A464-D467 PolarHBondContact O-N 3.2Å; A464-K468 PolarHBondContact O-N 2.77Å
465	F	83.9	Confident	84.1	Confident	153 Å²	153	73 Å²	73	67%	0.671	38%	0.384	S	S	*	.	H	α-helix	trans	-56	-37.6	-176	-174.2	-96.2	0	0	0	113.4	K468 Y469	F465-K468 PolarHBondContact O-N 2.65Å; F465-Y469 VanDerWaalsContact O-CB 3.3Å; F465-Y469 WeakPolarHBondContact O-CB 3.13Å; F465-Y469 PolarHBondContact O-N 2.84Å
466	T	85.8	Confident	84.7	Confident	109 Å²	109	68.7 Å²	68.7	67%	0.669	37%	0.368	S	S	*	.	H	α-helix	trans	-66	-35.7	176.9	48.3	0	0	0	0	113.4	A464 S470	A464-T466 VanDerWaalsContact C-N 3.26Å; A464-T466 PolarHBondContact O-N 3.32Å; T466-S470 WeakPolarHBondContact O-CB 3.45Å; T466-S470 PolarHBondContact O-N 2.9Å; T466-S470 VanDerWaalsContact O-N 3.08Å; T466-S470 PolarHBondContact O-OG 3.27Å
467	D	85.6	Confident	85.7	Confident	39 Å²	39	70.1 Å²	70.1	21%	0.209	38%	0.379	C	S	.	.	H	α-helix	trans	-72.3	-39.3	173.1	-178.2	69.5	0	0	0	111.1	Y446 Q463 A464 S470 R471	Y446-D467 PolarHBondContact OH-OD2 2.95Å; Q463-D467 PolarHBondContact NE2-OD2 3.28Å; A464-D467 WeakPolarHBondContact O-CB 3.43Å; A464-D467 PolarHBondContact O-N 3.2Å; D467-S470 PolarHBondContact O-OG 2.98Å; D467-R471 WeakPolarHBondContact O-CB 3.07Å; D467-R471 VanDerWaalsContact O-CD 3.29Å; D467-R471 WeakPolarHBondContact O-CD 3.5Å; D467-R471 WeakPolarHBondContact O-CG 3.22Å; D467-R471 PolarHBondContact O-N 3.35Å; D467-R471 IonicContact OD1-CZ 2.68Å; D467-R471 VanDerWaalsContact OD1-CZ 3.26Å; D467-R471 IonicContact OD1-NE 2.78Å; D467-R471 PolarHBondContact OD1-NE 3.3Å; D467-R471 IonicContact OD1-NH2 3.99Å; D467-R471 PolarHBondContact OD1-NH2 2.83Å; D467-R471 IonicContact OD2-CZ 3.1Å; D467-R471 IonicContact OD2-NE 3.71Å; D467-R471 PolarHBondContact OD2-NE 3.46Å; D467-R471 IonicContact OD2-NH2 3.52Å
468	K	86.8	Confident	86.3	Confident	87 Å²	87	68.9 Å²	68.9	38%	0.378	37%	0.365	S	S	.	.	H	α-helix	trans	-64.7	-47	174.3	-167.4	166.5	-175.5	166.9	0	111.2	Q463 A464 F465 R471 L472 E557	Q463-K468 HydrophobicContact CG-CB 4.18Å; A464-K468 PolarHBondContact O-N 2.77Å; F465-K468 PolarHBondContact O-N 2.65Å; K468-R471 PolarHBondContact O-N 3.17Å; K468-L472 WeakPolarHBondContact O-CB 3.46Å; K468-L472 PolarHBondContact O-N 3.43Å; K468-E557 IonicContact NZ-OE1 2.74Å; K468-E557 PolarHBondContact NZ-OE1 3.05Å; K468-E557 IonicContact NZ-OE2 2.63Å
469	Y	88.8	Confident	86.9	Confident	139 Å²	139	64.9 Å²	64.9	55%	0.545	35%	0.348	S	S	.	.	H	α-helix	trans	-66	-45.7	-178.1	-176.2	-98.6	0	0	0	113	F465 R471 L472 L473	F465-Y469 VanDerWaalsContact O-CB 3.3Å; F465-Y469 WeakPolarHBondContact O-CB 3.13Å; F465-Y469 PolarHBondContact O-N 2.84Å; Y469-R471 PolarHBondContact O-N 3.48Å; Y469-L472 PolarHBondContact O-N 2.85Å; Y469-L473 WeakPolarHBondContact O-CB 3.31Å; Y469-L473 PolarHBondContact O-N 2.57Å
470	S	89.9	Confident	87.5	Confident	59 Å²	59	67 Å²	67	41%	0.413	35%	0.349	S	S	.	.	H	α-helix	trans	-64.3	-38.1	178.2	51.4	0	0	0	0	112.7	T466 D467 L473 V474	T466-S470 WeakPolarHBondContact O-CB 3.45Å; T466-S470 PolarHBondContact O-N 2.9Å; T466-S470 VanDerWaalsContact O-N 3.08Å; T466-S470 PolarHBondContact O-OG 3.27Å; D467-S470 PolarHBondContact O-OG 2.98Å; S470-L473 PolarHBondContact O-N 3.02Å; S470-V474 WeakPolarHBondContact O-CG2 3.49Å; S470-V474 PolarHBondContact O-N 3.01Å; S470-V474 VanDerWaalsContact O-N 3.11Å
471	R	90.3	Very high	88.2	Confident	62 Å²	62	72 Å²	72	23%	0.234	37%	0.371	C	S	.	.	H	α-helix	trans	-64.4	-45.1	172.6	-70.8	169.9	-169.7	-59.6	-23.9	112.6	D467 K468 Y469 L473 V474 S475 L549	D467-R471 WeakPolarHBondContact O-CB 3.07Å; D467-R471 VanDerWaalsContact O-CD 3.29Å; D467-R471 WeakPolarHBondContact O-CD 3.5Å; D467-R471 WeakPolarHBondContact O-CG 3.22Å; D467-R471 PolarHBondContact O-N 3.35Å; D467-R471 IonicContact OD1-CZ 2.68Å; D467-R471 VanDerWaalsContact OD1-CZ 3.26Å; D467-R471 IonicContact OD1-NE 2.78Å; D467-R471 PolarHBondContact OD1-NE 3.3Å; D467-R471 IonicContact OD1-NH2 3.99Å; D467-R471 PolarHBondContact OD1-NH2 2.83Å; D467-R471 IonicContact OD2-CZ 3.1Å; D467-R471 IonicContact OD2-NE 3.71Å; D467-R471 PolarHBondContact OD2-NE 3.46Å; D467-R471 IonicContact OD2-NH2 3.52Å; K468-R471 PolarHBondContact O-N 3.17Å; Y469-R471 PolarHBondContact O-N 3.48Å; R471-L473 VanDerWaalsContact C-N 3.32Å; R471-L473 PolarHBondContact O-N 2.92Å; R471-V474 PolarHBondContact O-N 3.32Å; R471-S475 PolarHBondContact O-N 3.36Å; R471-L549 HydrophobicContact CB-CD2 4.28Å; R471-L549 WeakPolarHBondContact CD-O 3.33Å; R471-L549 HydrophobicContact CG-CD2 4.39Å; R471-L549 PolarHBondContact NH1-O 2.81Å
472	L	89.3	Confident	88.7	Confident	90 Å²	90	71.7 Å²	71.7	47%	0.471	37%	0.368	S	S	.	.	H	α-helix	trans	-61.6	-40	176.9	-178.2	62.2	0	0	0	111.5	K468 Y469 S475 S476 E550	K468-L472 WeakPolarHBondContact O-CB 3.46Å; K468-L472 PolarHBondContact O-N 3.43Å; Y469-L472 PolarHBondContact O-N 2.85Å; L472-S475 PolarHBondContact O-N 2.98Å; L472-S476 WeakPolarHBondContact O-CB 3.3Å; L472-S476 PolarHBondContact O-N 3.5Å; L472-E550 WeakPolarHBondContact CD1-OE1 3.36Å
473	L	91.4	Very high	89.1	Confident	99 Å²	99	68 Å²	68	52%	0.518	36%	0.355	S	S	.	.	H	α-helix	trans	-63.5	-44.2	176	-175	64.6	0	0	0	112.1	Y469 S470 R471 S475 S476 S477	Y469-L473 WeakPolarHBondContact O-CB 3.31Å; Y469-L473 PolarHBondContact O-N 2.57Å; S470-L473 PolarHBondContact O-N 3.02Å; R471-L473 VanDerWaalsContact C-N 3.32Å; R471-L473 PolarHBondContact O-N 2.92Å; L473-S475 VanDerWaalsContact C-N 3.34Å; L473-S476 PolarHBondContact O-N 2.67Å; L473-S477 PolarHBondContact O-N 3.31Å; L473-S477 PolarHBondContact O-OG 3.25Å
474	V	91.6	Very high	89.5	Confident	78 Å²	78	71.2 Å²	71.2	47%	0.473	37%	0.372	S	S	.	.	H	α-helix	trans	-63.4	-38.9	174.2	169.7	0	0	0	0	111.5	S470 R471 S477 G478 L549	S470-V474 WeakPolarHBondContact O-CG2 3.49Å; S470-V474 PolarHBondContact O-N 3.01Å; S470-V474 VanDerWaalsContact O-N 3.11Å; R471-V474 PolarHBondContact O-N 3.32Å; V474-S477 PolarHBondContact O-OG 3.21Å; V474-S477 VanDerWaalsContact O-OG 3.11Å; V474-G478 PolarHBondContact O-N 3.08Å; V474-G478 VanDerWaalsContact O-N 3.17Å; V474-L549 HydrophobicContact CG1-CD2 4.17Å
475	S	91.8	Very high	89.8	Confident	0 Å²	0	72 Å²	72	0%	0	37%	0.374	C	S	.	.	H	α-helix	trans	-67.6	-37.5	173.1	-171.8	0	0	0	0	112.3	R471 L472 L473 G478 I479 E550 K565	R471-S475 PolarHBondContact O-N 3.36Å; L472-S475 PolarHBondContact O-N 2.98Å; L473-S475 VanDerWaalsContact C-N 3.34Å; S475-G478 PolarHBondContact O-N 2.72Å; S475-I479 WeakPolarHBondContact O-CD1 3.4Å; S475-I479 VanDerWaalsContact O-CG1 3.26Å; S475-I479 WeakPolarHBondContact O-CG1 3.45Å; S475-I479 PolarHBondContact O-N 3.47Å; S475-I479 VanDerWaalsContact O-N 3.12Å; S475-E550 VanDerWaalsContact CB-OE1 3.28Å; S475-E550 WeakPolarHBondContact CB-OE1 3.19Å; S475-E550 PolarHBondContact OG-OE1 3.36Å; S475-K565 WeakPolarHBondContact OG-CE 3.25Å
476	S	89.2	Confident	90.1	Very high	67 Å²	67	64.8 Å²	64.8	47%	0.469	34%	0.342	S	S	.	.	H	α-helix	trans	-67	-43.2	-179.3	-166.8	0	0	0	0	111.9	L472 L473 G478 I479 F480	L472-S476 WeakPolarHBondContact O-CB 3.3Å; L472-S476 PolarHBondContact O-N 3.5Å; L473-S476 PolarHBondContact O-N 2.67Å; S476-G478 VanDerWaalsContact C-N 3.34Å; S476-I479 PolarHBondContact O-N 3.08Å; S476-F480 PolarHBondContact O-N 2.89Å; S476-F480 VanDerWaalsContact O-N 3.08Å
477	S	92.4	Very high	90.2	Very high	70 Å²	70	63.9 Å²	63.9	49%	0.49	33%	0.332	S	S	.	.	H	α-helix	trans	-66.7	-35.8	175.5	61.5	0	0	0	0	112.1	L473 V474 I479 F480 F481	L473-S477 PolarHBondContact O-N 3.31Å; L473-S477 PolarHBondContact O-OG 3.25Å; V474-S477 PolarHBondContact O-OG 3.21Å; V474-S477 VanDerWaalsContact O-OG 3.11Å; S477-I479 PolarHBondContact O-N 2.96Å; S477-F480 PolarHBondContact O-N 3.29Å; S477-F481 WeakPolarHBondContact O-CB 3.48Å; S477-F481 PolarHBondContact O-N 3.5Å
478	G	90.6	Very high	90.4	Very high	18 Å²	18	65 Å²	65	19%	0.186	35%	0.347	C	S	.	.	H	α-helix	trans	-60.7	-39.9	172.6	0	0	0	0	0	113.7	V474 S475 S476 M482	V474-G478 PolarHBondContact O-N 3.08Å; V474-G478 VanDerWaalsContact O-N 3.17Å; S475-G478 PolarHBondContact O-N 2.72Å; S476-G478 VanDerWaalsContact C-N 3.34Å; G478-M482 WeakPolarHBondContact O-CG 3.35Å; G478-M482 PolarHBondContact O-N 2.91Å
479	I	91.6	Very high	90.5	Very high	16 Å²	16	62.2 Å²	62.2	8%	0.082	34%	0.34	C	S	.	.	H	α-helix	trans	-66.3	-47.5	174.2	-58.5	154.3	0	0	0	110.4	S475 S476 S477 F481 M482 I483 L546 K565 L568	S475-I479 WeakPolarHBondContact O-CD1 3.4Å; S475-I479 VanDerWaalsContact O-CG1 3.26Å; S475-I479 WeakPolarHBondContact O-CG1 3.45Å; S475-I479 PolarHBondContact O-N 3.47Å; S475-I479 VanDerWaalsContact O-N 3.12Å; S476-I479 PolarHBondContact O-N 3.08Å; S477-I479 PolarHBondContact O-N 2.96Å; I479-F481 VanDerWaalsContact C-N 3.33Å; I479-F481 PolarHBondContact O-N 3.07Å; I479-M482 PolarHBondContact O-N 3.19Å; I479-M482 VanDerWaalsContact O-N 3.15Å; I479-I483 HydrophobicContact CG2-CD1 3.9Å; I479-I483 HydrophobicContact CG2-CG1 4.5Å; I479-I483 WeakPolarHBondContact O-CG1 3.37Å; I479-I483 PolarHBondContact O-N 2.96Å; I479-L546 HydrophobicContact CG1-CD1 4.44Å; I479-K565 HydrophobicContact CD1-CD 4.41Å; I479-K565 HydrophobicContact CD1-CG 3.66Å; I479-K565 HydrophobicContact CG1-CG 4.13Å; I479-L568 HydrophobicContact CG2-CD2 4.09Å
480	F	91.6	Very high	90.2	Very high	126 Å²	126	56.5 Å²	56.5	55%	0.553	32%	0.32	S	S	*	.	H	α-helix	trans	-62.1	-39.6	-178.7	-172.1	-104.9	0	0	0	112.2	S476 S477 M482 I483 L484	S476-F480 PolarHBondContact O-N 2.89Å; S476-F480 VanDerWaalsContact O-N 3.08Å; S477-F480 PolarHBondContact O-N 3.29Å; F480-M482 PolarHBondContact O-N 3.4Å; F480-I483 WeakPolarHBondContact O-CB 3.47Å; F480-I483 PolarHBondContact O-N 3.49Å; F480-L484 HydrophobicContact CD1-CD1 3.93Å; F480-L484 HydrophobicContact CD1-CG 4.33Å; F480-L484 HydrophobicContact CE1-CD1 3.65Å; F480-L484 HydrophobicContact CE1-CD2 4.38Å; F480-L484 HydrophobicContact CE1-CG 4.06Å; F480-L484 HydrophobicContact CZ-CD1 4.4Å; F480-L484 HydrophobicContact CZ-CD2 4.34Å; F480-L484 HydrophobicContact CZ-CG 4.4Å; F480-L484 WeakPolarHBondContact O-CG 3.38Å; F480-L484 PolarHBondContact O-N 3.02Å
481	F	92.9	Very high	89.9	Confident	131 Å²	131	58.8 Å²	58.8	58%	0.575	32%	0.322	S	S	*	.	H	α-helix	trans	-57.5	-47.2	172.1	175.4	-99.2	0	0	0	112.2	S477 I479 I483 L484 V485	S477-F481 WeakPolarHBondContact O-CB 3.48Å; S477-F481 PolarHBondContact O-N 3.5Å; I479-F481 VanDerWaalsContact C-N 3.33Å; I479-F481 PolarHBondContact O-N 3.07Å; F481-I483 VanDerWaalsContact C-N 3.32Å; F481-I483 PolarHBondContact O-N 3.05Å; F481-L484 WeakPolarHBondContact O-CB 3.42Å; F481-L484 PolarHBondContact O-N 2.93Å; F481-V485 HydrophobicContact CD1-CG2 4.42Å; F481-V485 HydrophobicContact CE1-CG2 3.99Å; F481-V485 HydrophobicContact CZ-CG2 4.04Å; F481-V485 WeakPolarHBondContact O-CG2 3.42Å; F481-V485 PolarHBondContact O-N 2.83Å
482	M	89.9	Confident	89.7	Confident	13 Å²	13	57.5 Å²	57.5	6%	0.064	33%	0.329	C	S	.	.	H	α-helix	trans	-67.1	-31.4	178	-67.4	-59.2	-65.4	0	0	113	G478 I479 F480 V485 V486 L538 Y539 V542 F569	G478-M482 WeakPolarHBondContact O-CG 3.35Å; G478-M482 PolarHBondContact O-N 2.91Å; I479-M482 PolarHBondContact O-N 3.19Å; I479-M482 VanDerWaalsContact O-N 3.15Å; F480-M482 PolarHBondContact O-N 3.4Å; M482-V485 PolarHBondContact O-N 3.34Å; M482-V486 WeakPolarHBondContact O-CG2 3.38Å; M482-V486 PolarHBondContact O-N 3.18Å; M482-V486 VanDerWaalsContact O-N 3.09Å; M482-L538 HydrophobicContact CE-CD2 4.41Å; M482-Y539 HydrophobicContact CB-CD2 3.7Å; M482-Y539 HydrophobicContact CB-CE2 3.62Å; M482-Y539 HydrophobicContact CE-CD2 3.92Å; M482-Y539 HydrophobicContact CG-CD2 3.75Å; M482-Y539 HydrophobicContact CG-CE2 3.81Å; M482-V542 HydrophobicContact CG-CG1 4.27Å; M482-F569 HydrophobicContact CB-CD2 4.26Å; M482-F569 HydrophobicContact CB-CE2 4.42Å; M482-F569 HydrophobicContact CE-CE2 4.49Å
483	I	90.9	Very high	89.4	Confident	23 Å²	23	54.3 Å²	54.3	12%	0.118	31%	0.312	C	S	.	.	H	α-helix	trans	-65.1	-42.3	171.6	-72.6	169.5	0	0	0	111	I479 F480 F481 V485 V486 I487 L568 V572	I479-I483 HydrophobicContact CG2-CD1 3.9Å; I479-I483 HydrophobicContact CG2-CG1 4.5Å; I479-I483 WeakPolarHBondContact O-CG1 3.37Å; I479-I483 PolarHBondContact O-N 2.96Å; F480-I483 WeakPolarHBondContact O-CB 3.47Å; F480-I483 PolarHBondContact O-N 3.49Å; F481-I483 VanDerWaalsContact C-N 3.32Å; F481-I483 PolarHBondContact O-N 3.05Å; I483-V485 VanDerWaalsContact C-N 3.34Å; I483-V485 PolarHBondContact O-N 3.42Å; I483-V486 PolarHBondContact O-N 2.96Å; I483-I487 HydrophobicContact CG2-CD1 3.94Å; I483-I487 WeakPolarHBondContact O-CG1 3.35Å; I483-I487 PolarHBondContact O-N 3.47Å; I483-L568 HydrophobicContact CD1-CD2 3.94Å; I483-L568 HydrophobicContact CD1-CG 4Å; I483-V572 HydrophobicContact CG2-CG1 4.38Å
484	L	91.4	Very high	88.8	Confident	84 Å²	84	50.3 Å²	50.3	44%	0.44	29%	0.292	S	S	.	.	H	α-helix	trans	-63.1	-38.6	174	-69.5	174.2	0	0	0	112.2	F480 F481 V486 I487 A488	F480-L484 HydrophobicContact CD1-CD1 3.93Å; F480-L484 HydrophobicContact CD1-CG 4.33Å; F480-L484 HydrophobicContact CE1-CD1 3.65Å; F480-L484 HydrophobicContact CE1-CD2 4.38Å; F480-L484 HydrophobicContact CE1-CG 4.06Å; F480-L484 HydrophobicContact CZ-CD1 4.4Å; F480-L484 HydrophobicContact CZ-CD2 4.34Å; F480-L484 HydrophobicContact CZ-CG 4.4Å; F480-L484 WeakPolarHBondContact O-CG 3.38Å; F480-L484 PolarHBondContact O-N 3.02Å; F481-L484 WeakPolarHBondContact O-CB 3.42Å; F481-L484 PolarHBondContact O-N 2.93Å; L484-V486 VanDerWaalsContact C-N 3.34Å; L484-V486 PolarHBondContact O-N 3.38Å; L484-I487 PolarHBondContact O-N 2.81Å; L484-A488 WeakPolarHBondContact O-CB 3.22Å; L484-A488 PolarHBondContact O-N 3.31Å
485	V	91.2	Very high	88.3	Confident	50 Å²	50	48.9 Å²	48.9	30%	0.303	28%	0.281	S	S	.	.	H	α-helix	trans	-61.2	-41.3	174.3	170.8	0	0	0	0	111.5	F481 M482 I483 A488 A489 L535	F481-V485 HydrophobicContact CD1-CG2 4.42Å; F481-V485 HydrophobicContact CE1-CG2 3.99Å; F481-V485 HydrophobicContact CZ-CG2 4.04Å; F481-V485 WeakPolarHBondContact O-CG2 3.42Å; F481-V485 PolarHBondContact O-N 2.83Å; M482-V485 PolarHBondContact O-N 3.34Å; I483-V485 VanDerWaalsContact C-N 3.34Å; I483-V485 PolarHBondContact O-N 3.42Å; V485-A488 PolarHBondContact O-N 3.15Å; V485-A489 WeakPolarHBondContact O-CB 3.16Å; V485-A489 PolarHBondContact O-N 3.41Å; V485-L535 HydrophobicContact CG1-CD2 4.37Å
486	V	89.1	Confident	88	Confident	0 Å²	0	52.1 Å²	52.1	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-63.3	-46.9	174.2	169.1	0	0	0	0	111.5	M482 I483 L484 A488 A489 V490 L535 F569 V572 N573	M482-V486 WeakPolarHBondContact O-CG2 3.38Å; M482-V486 PolarHBondContact O-N 3.18Å; M482-V486 VanDerWaalsContact O-N 3.09Å; I483-V486 PolarHBondContact O-N 2.96Å; L484-V486 VanDerWaalsContact C-N 3.34Å; L484-V486 PolarHBondContact O-N 3.38Å; V486-A488 VanDerWaalsContact C-N 3.29Å; V486-A488 PolarHBondContact O-N 3.16Å; V486-A489 WeakPolarHBondContact O-CB 3.27Å; V486-A489 PolarHBondContact O-N 3.43Å; V486-A489 VanDerWaalsContact O-N 3.11Å; V486-V490 WeakPolarHBondContact O-CG2 3.3Å; V486-V490 PolarHBondContact O-N 3.37Å; V486-L535 HydrophobicContact CG2-CD1 4.45Å; V486-F569 HydrophobicContact CG2-CD2 4.1Å; V486-F569 HydrophobicContact CG2-CE2 3.4Å; V486-F569 HydrophobicContact CG2-CZ 3.97Å; V486-V572 HydrophobicContact CG1-CG1 3.92Å; V486-N573 HydrophobicContact CG1-CB 4.23Å; V486-N573 HydrophobicContact CG2-CB 4.21Å
487	I	88.9	Confident	87.5	Confident	90 Å²	90	50.4 Å²	50.4	46%	0.462	28%	0.277	S	S	.	.	H	α-helix	trans	-61.1	-40.8	178.8	-67	165.1	0	0	0	110.7	I483 L484 V490 F491	I483-I487 HydrophobicContact CG2-CD1 3.94Å; I483-I487 WeakPolarHBondContact O-CG1 3.35Å; I483-I487 PolarHBondContact O-N 3.47Å; L484-I487 PolarHBondContact O-N 2.81Å; I487-V490 PolarHBondContact O-N 2.91Å; I487-F491 WeakPolarHBondContact O-CB 3.29Å; I487-F491 PolarHBondContact O-N 3.33Å
488	A	89.8	Confident	86.7	Confident	62 Å²	62	48.3 Å²	48.3	51%	0.512	26%	0.261	S	S	.	.	H	α-helix	trans	-64.6	-37.7	174.2	0	0	0	0	0	112.8	L484 V485 V486 F491 G492	L484-A488 WeakPolarHBondContact O-CB 3.22Å; L484-A488 PolarHBondContact O-N 3.31Å; V485-A488 PolarHBondContact O-N 3.15Å; V486-A488 VanDerWaalsContact C-N 3.29Å; V486-A488 PolarHBondContact O-N 3.16Å; A488-F491 PolarHBondContact O-N 2.87Å; A488-G492 PolarHBondContact O-N 3.29Å
489	A	87.3	Confident	86.1	Confident	29 Å²	29	50 Å²	50	24%	0.24	27%	0.266	C	S	.	.	H	α-helix	trans	-65.7	-42.9	175.6	0	0	0	0	0	112.2	V485 V486 G492 I493 V531 L535	V485-A489 WeakPolarHBondContact O-CB 3.16Å; V485-A489 PolarHBondContact O-N 3.41Å; V486-A489 WeakPolarHBondContact O-CB 3.27Å; V486-A489 PolarHBondContact O-N 3.43Å; V486-A489 VanDerWaalsContact O-N 3.11Å; A489-G492 WeakPolarHBondContact O-CA 3.45Å; A489-G492 PolarHBondContact O-N 3.08Å; A489-I493 WeakPolarHBondContact O-CG1 3.18Å; A489-I493 PolarHBondContact O-N 2.89Å; A489-V531 HydrophobicContact CB-CG1 4.16Å; A489-L535 HydrophobicContact CB-CD1 4.15Å
490	V	83.8	Confident	85.4	Confident	19 Å²	19	49.9 Å²	49.9	12%	0.115	27%	0.266	C	S	.	.	H	α-helix	trans	-61.6	-45.2	174.5	174.6	0	0	0	0	111	V486 I487 G492 I493 V494 S576	V486-V490 WeakPolarHBondContact O-CG2 3.3Å; V486-V490 PolarHBondContact O-N 3.37Å; I487-V490 PolarHBondContact O-N 2.91Å; V490-G492 VanDerWaalsContact C-N 3.29Å; V490-G492 PolarHBondContact O-N 3.49Å; V490-I493 WeakPolarHBondContact O-CB 3.38Å; V490-I493 PolarHBondContact O-N 3.01Å; V490-V494 WeakPolarHBondContact O-CG2 3.47Å; V490-V494 PolarHBondContact O-N 3.01Å; V490-S576 VanDerWaalsContact CG2-OG 3.3Å; V490-S576 WeakPolarHBondContact CG2-OG 3.4Å
491	F	83.6	Confident	84.6	Confident	107 Å²	107	45.4 Å²	45.4	47%	0.469	25%	0.248	S	C	.	.	H	α-helix	trans	-61.6	-36.9	174.9	-174.7	-109.9	0	0	0	112.2	I487 A488 I493 V494 I495 L598	I487-F491 WeakPolarHBondContact O-CB 3.29Å; I487-F491 PolarHBondContact O-N 3.33Å; A488-F491 PolarHBondContact O-N 2.87Å; F491-I493 PolarHBondContact O-N 3.06Å; F491-V494 PolarHBondContact O-N 2.93Å; F491-I495 HydrophobicContact CD1-CD1 3.85Å; F491-I495 HydrophobicContact CE1-CD1 3.66Å; F491-I495 HydrophobicContact CZ-CD1 4.25Å; F491-I495 WeakPolarHBondContact O-CG1 3.15Å; F491-I495 PolarHBondContact O-N 2.68Å; F491-L598 HydrophobicContact CE2-CD1 4.23Å; F491-L598 HydrophobicContact CE2-CD2 4.29Å; F491-L598 HydrophobicContact CZ-CD1 3.99Å; F491-L598 HydrophobicContact CZ-CD2 3.83Å; F491-L598 HydrophobicContact CZ-CG 4.39Å
492	G	85.5	Confident	83.5	Confident	36 Å²	36	41 Å²	41	37%	0.371	23%	0.233	S	C	.	.	H	α-helix	trans	-62	-37.2	170.4	0	0	0	0	0	113.7	A488 A489 V490 I495 Y496	A488-G492 PolarHBondContact O-N 3.29Å; A489-G492 WeakPolarHBondContact O-CA 3.45Å; A489-G492 PolarHBondContact O-N 3.08Å; V490-G492 VanDerWaalsContact C-N 3.29Å; V490-G492 PolarHBondContact O-N 3.49Å; G492-I495 PolarHBondContact O-N 3.26Å; G492-Y496 WeakPolarHBondContact O-CB 3.42Å; G492-Y496 PolarHBondContact O-N 3.25Å
493	I	82.8	Confident	82.8	Confident	22 Å²	22	43.5 Å²	43.5	11%	0.113	25%	0.25	C	C	.	.	H	α-helix	trans	-70	-36	175.7	-67.5	160.1	0	0	0	111.4	A489 V490 F491 Y496 R497 N528	A489-I493 WeakPolarHBondContact O-CG1 3.18Å; A489-I493 PolarHBondContact O-N 2.89Å; V490-I493 WeakPolarHBondContact O-CB 3.38Å; V490-I493 PolarHBondContact O-N 3.01Å; F491-I493 PolarHBondContact O-N 3.06Å; I493-Y496 WeakPolarHBondContact O-CB 3.42Å; I493-Y496 PolarHBondContact O-N 3.05Å; I493-R497 PolarHBondContact O-N 2.93Å; I493-N528 HydrophobicContact CD1-CB 3.95Å; I493-N528 WeakPolarHBondContact CD1-OD1 3.37Å
494	V	78.6	Confident	82.1	Confident	16 Å²	16	44.4 Å²	44.4	10%	0.097	25%	0.253	C	S	.	.	H	α-helix	trans	-63.1	-45.5	171.4	174.1	0	0	0	0	110.8	V490 F491 Y496 R497 V498 Y580	V490-V494 WeakPolarHBondContact O-CG2 3.47Å; V490-V494 PolarHBondContact O-N 3.01Å; F491-V494 PolarHBondContact O-N 2.93Å; V494-Y496 VanDerWaalsContact C-N 3.32Å; V494-Y496 PolarHBondContact O-N 3.48Å; V494-R497 PolarHBondContact O-N 3.32Å; V494-V498 WeakPolarHBondContact O-CG2 3.36Å; V494-V498 PolarHBondContact O-N 3.46Å; V494-Y580 HydrophobicContact CG1-CE1 4.22Å; V494-Y580 HydrophobicContact CG1-CE2 4.44Å; V494-Y580 WeakPolarHBondContact CG1-OH 3.46Å; V494-Y580 HydrophobicContact CG2-CD1 3.77Å; V494-Y580 HydrophobicContact CG2-CD2 4.26Å; V494-Y580 HydrophobicContact CG2-CE1 3.45Å; V494-Y580 VanDerWaalsContact CG2-CE1 3.45Å; V494-Y580 HydrophobicContact CG2-CE2 3.99Å; V494-Y580 HydrophobicContact CG2-CG 4.18Å
495	I	82.1	Confident	80.9	Confident	48 Å²	48	40.9 Å²	40.9	25%	0.246	24%	0.236	C	C	.	.	H	α-helix	trans	-60.4	-42.7	174.2	-69.1	166.9	0	0	0	110.9	F491 G492 R497 V498 I499 L598	F491-I495 HydrophobicContact CD1-CD1 3.85Å; F491-I495 HydrophobicContact CE1-CD1 3.66Å; F491-I495 HydrophobicContact CZ-CD1 4.25Å; F491-I495 WeakPolarHBondContact O-CG1 3.15Å; F491-I495 PolarHBondContact O-N 2.68Å; G492-I495 PolarHBondContact O-N 3.26Å; I495-R497 PolarHBondContact O-N 3.37Å; I495-V498 PolarHBondContact O-N 2.92Å; I495-I499 HydrophobicContact CG2-CD1 3.74Å; I495-I499 HydrophobicContact CG2-CG1 4.44Å; I495-I499 VanDerWaalsContact O-CG1 3.32Å; I495-I499 WeakPolarHBondContact O-CG1 3.26Å; I495-I499 PolarHBondContact O-N 3.14Å; I495-L598 HydrophobicContact CD1-CD2 3.98Å; I495-L598 HydrophobicContact CG1-CD2 3.7Å
496	Y	84.9	Confident	79.9	Confident	67 Å²	67	40.9 Å²	40.9	26%	0.263	24%	0.241	S	C	.	.	H	α-helix	trans	-58.7	-45.1	175.3	169.9	-90.2	0	0	0	112.2	G492 I493 V494 I499 T500 T523 A524 I527	G492-Y496 WeakPolarHBondContact O-CB 3.42Å; G492-Y496 PolarHBondContact O-N 3.25Å; I493-Y496 WeakPolarHBondContact O-CB 3.42Å; I493-Y496 PolarHBondContact O-N 3.05Å; V494-Y496 VanDerWaalsContact C-N 3.32Å; V494-Y496 PolarHBondContact O-N 3.48Å; Y496-I499 PolarHBondContact O-N 3.36Å; Y496-T500 HydrophobicContact CD2-CG2 4.07Å; Y496-T500 HydrophobicContact CE1-CG2 4.09Å; Y496-T500 HydrophobicContact CE2-CG2 3.55Å; Y496-T500 WeakPolarHBondContact O-CB 3.35Å; Y496-T500 PolarHBondContact O-N 3.48Å; Y496-T500 PolarHBondContact O-OG1 2.61Å; Y496-T523 WeakPolarHBondContact OH-CB 3.24Å; Y496-T523 PolarHBondContact OH-OG1 3.32Å; Y496-A524 HydrophobicContact CD1-CB 4.12Å; Y496-A524 HydrophobicContact CE1-CB 4.03Å; Y496-I527 HydrophobicContact CD1-CD1 4.39Å; Y496-I527 HydrophobicContact CD2-CD1 4.34Å; Y496-I527 HydrophobicContact CE1-CD1 3.73Å; Y496-I527 HydrophobicContact CE2-CD1 3.64Å; Y496-I527 WeakPolarHBondContact OH-CD1 3.34Å
497	R	78.7	Confident	79.3	Confident	31 Å²	31	45.8 Å²	45.8	12%	0.117	26%	0.263	C	S	.	.	H	α-helix	trans	-58.6	-53	175.8	-79.7	-177.6	165	-138.8	-0.4	111.7	I493 V494 I495 I499 T500 V501 T520 A524 E605	I493-R497 PolarHBondContact O-N 2.93Å; V494-R497 PolarHBondContact O-N 3.32Å; I495-R497 PolarHBondContact O-N 3.37Å; R497-I499 VanDerWaalsContact C-N 3.3Å; R497-I499 PolarHBondContact O-N 3.38Å; R497-T500 PolarHBondContact O-N 3.04Å; R497-T500 VanDerWaalsContact O-N 3.12Å; R497-T500 PolarHBondContact O-OG1 3.18Å; R497-V501 WeakPolarHBondContact O-CG2 3.26Å; R497-V501 PolarHBondContact O-N 2.96Å; R497-T520 HydrophobicContact CB-CG2 4.23Å; R497-T520 HydrophobicContact CG-CG2 4.17Å; R497-A524 HydrophobicContact CG-CB 3.63Å; R497-E605 WeakPolarHBondContact CD-OE2 3.35Å; R497-E605 IonicContact CZ-OE1 3.62Å; R497-E605 IonicContact NH1-OE1 3.13Å; R497-E605 PolarHBondContact NH1-OE1 3.11Å; R497-E605 IonicContact NH1-OE2 3.18Å
498	V	75	Confident	78.2	Confident	26 Å²	26	45 Å²	45	16%	0.158	28%	0.277	C	S	.	.	H	α-helix	trans	-56.5	-44.7	-179.1	168.5	0	0	0	0	111.5	V494 I495 W602 K603 E605	V494-V498 WeakPolarHBondContact O-CG2 3.36Å; V494-V498 PolarHBondContact O-N 3.46Å; I495-V498 PolarHBondContact O-N 2.92Å; V498-W602 HydrophobicContact CG1-CB 3.79Å; V498-K603 WeakPolarHBondContact CG1-O 3.19Å; V498-E605 HydrophobicContact CG2-CB 4.32Å
499	I	78.6	Confident	77.5	Confident	55 Å²	55	50 Å²	50	28%	0.282	28%	0.282	S	S	.	.	H	α-helix	trans	-64.3	-49	175.6	-66	170.7	0	0	0	110.6	I495 Y496 R497 S502 T503 W602	I495-I499 HydrophobicContact CG2-CD1 3.74Å; I495-I499 HydrophobicContact CG2-CG1 4.44Å; I495-I499 VanDerWaalsContact O-CG1 3.32Å; I495-I499 WeakPolarHBondContact O-CG1 3.26Å; I495-I499 PolarHBondContact O-N 3.14Å; Y496-I499 PolarHBondContact O-N 3.36Å; R497-I499 VanDerWaalsContact C-N 3.3Å; R497-I499 PolarHBondContact O-N 3.38Å; I499-S502 PolarHBondContact O-N 2.67Å; I499-S502 PolarHBondContact O-OG 2.75Å; I499-T503 HydrophobicContact CG2-CG2 4.38Å; I499-T503 PolarHBondContact O-N 3.19Å; I499-T503 VanDerWaalsContact O-N 3.09Å; I499-W602 HydrophobicContact CD1-CH2 4.46Å; I499-W602 HydrophobicContact CD1-CZ2 4.15Å; I499-W602 HydrophobicContact CG1-CD2 4.14Å; I499-W602 HydrophobicContact CG1-CE3 4.04Å; I499-W602 HydrophobicContact CG1-CH2 3.92Å; I499-W602 HydrophobicContact CG1-CZ2 3.99Å; I499-W602 HydrophobicContact CG1-CZ3 3.94Å
500	T	76.9	Confident	76.6	Confident	13 Å²	13	51.3 Å²	51.3	8%	0.08	29%	0.293	C	S	.	.	H	α-helix	trans	-73	-30.1	-172.8	47.2	0	0	0	0	115	Y496 R497 S502 T503 F504 T520	Y496-T500 HydrophobicContact CD2-CG2 4.07Å; Y496-T500 HydrophobicContact CE1-CG2 4.09Å; Y496-T500 HydrophobicContact CE2-CG2 3.55Å; Y496-T500 WeakPolarHBondContact O-CB 3.35Å; Y496-T500 PolarHBondContact O-N 3.48Å; Y496-T500 PolarHBondContact O-OG1 2.61Å; R497-T500 PolarHBondContact O-N 3.04Å; R497-T500 VanDerWaalsContact O-N 3.12Å; R497-T500 PolarHBondContact O-OG1 3.18Å; T500-S502 VanDerWaalsContact C-N 3.29Å; T500-S502 PolarHBondContact O-N 2.88Å; T500-T503 WeakPolarHBondContact CA-OG1 3.41Å; T500-T503 PolarHBondContact O-N 2.79Å; T500-T503 PolarHBondContact O-OG1 2.97Å; T500-F504 VanDerWaalsContact O-CB 3.29Å; T500-F504 WeakPolarHBondContact O-CB 3.23Å; T500-F504 VanDerWaalsContact O-CG 3.31Å; T500-F504 WeakPolarHBondContact O-CG 3.23Å; T500-F504 PolarHBondContact O-N 3.22Å; T500-T520 WeakPolarHBondContact OG1-CG2 3.46Å
501	V	73.6	Confident	75.9	Confident	32 Å²	32	55.9 Å²	55.9	19%	0.194	32%	0.316	C	S	.	.	H	α-helix	trans	-56.3	-47.9	166.9	173.9	0	0	0	0	109.9	C370 R497 T503 A505 T520	C370-V501 HydrophobicContact CB-CG1 4.44Å; R497-V501 WeakPolarHBondContact O-CG2 3.26Å; R497-V501 PolarHBondContact O-N 2.96Å; V501-T503 PolarHBondContact O-N 2.88Å; V501-A505 VanDerWaalsContact O-CB 3.28Å; V501-A505 WeakPolarHBondContact O-CB 3.44Å; V501-A505 PolarHBondContact O-N 3.36Å; V501-T520 HydrophobicContact CG2-CG2 3.77Å; V501-T520 PolarHBondContact N-OG1 3.44Å
502	S	69.9	Low	75.4	Confident	37 Å²	37	52.7 Å²	52.7	26%	0.259	30%	0.304	S	S	.	.	H	α-helix	trans	-65.6	-36.8	-179.2	77.7	0	0	0	0	113.7	I499 T500 A506	I499-S502 PolarHBondContact O-N 2.67Å; I499-S502 PolarHBondContact O-OG 2.75Å; T500-S502 VanDerWaalsContact C-N 3.29Å; T500-S502 PolarHBondContact O-N 2.88Å; S502-A506 WeakPolarHBondContact O-CB 3.23Å; S502-A506 PolarHBondContact O-N 3.43Å
503	T	75.2	Confident	74.7	Confident	67 Å²	67	57.6 Å²	57.6	41%	0.411	31%	0.311	S	S	.	.	H	α-helix	trans	-81.2	-31.5	-179.1	59.9	0	0	0	0	112.9	I499 T500 V501 A506 F507	I499-T503 HydrophobicContact CG2-CG2 4.38Å; I499-T503 PolarHBondContact O-N 3.19Å; I499-T503 VanDerWaalsContact O-N 3.09Å; T500-T503 WeakPolarHBondContact CA-OG1 3.41Å; T500-T503 PolarHBondContact O-N 2.79Å; T500-T503 PolarHBondContact O-OG1 2.97Å; V501-T503 PolarHBondContact O-N 2.88Å; T503-A506 CarbonylContact O-C 3.56Å; T503-A506 PolarHBondContact O-N 3.41Å; T503-F507 PolarHBondContact O-N 2.88Å; T503-F507 VanDerWaalsContact O-N 3.15Å
504	F	76.1	Confident	74	Confident	42 Å²	42	63 Å²	63	18%	0.184	34%	0.341	C	S	.	.	H	α-helix	trans	-73.7	-35.7	173	-68.3	-11.5	0	0	0	112.2	T500 A506 F507 I512 A519 T520 T523	T500-F504 VanDerWaalsContact O-CB 3.29Å; T500-F504 WeakPolarHBondContact O-CB 3.23Å; T500-F504 VanDerWaalsContact O-CG 3.31Å; T500-F504 WeakPolarHBondContact O-CG 3.23Å; T500-F504 PolarHBondContact O-N 3.22Å; F504-A506 VanDerWaalsContact C-N 3.27Å; F504-A506 PolarHBondContact O-N 3.3Å; F504-F507 VanDerWaalsContact O-CB 3.3Å; F504-F507 WeakPolarHBondContact O-CB 3.31Å; F504-F507 PolarHBondContact O-N 3.19Å; F504-F507 VanDerWaalsContact O-N 3.13Å; F504-I512 HydrophobicContact CB-CG2 3.81Å; F504-I512 HydrophobicContact CD1-CG2 4.15Å; F504-I512 HydrophobicContact CG-CG2 3.93Å; F504-A519 HydrophobicContact CD2-CB 4Å; F504-A519 HydrophobicContact CE2-CB 4.23Å; F504-T520 WeakPolarHBondContact CD2-OG1 3.41Å; F504-T523 HydrophobicContact CE2-CG2 4.38Å; F504-T523 HydrophobicContact CZ-CG2 4.42Å
505	A	67.2	Low	73.6	Confident	9 Å²	9	66.1 Å²	66.1	7%	0.074	36%	0.356	C	S	.	.	H	α-helix	trans	-64.3	-32	169.9	0	0	0	0	0	112.6	V501 F507	V501-A505 VanDerWaalsContact O-CB 3.28Å; V501-A505 WeakPolarHBondContact O-CB 3.44Å; V501-A505 PolarHBondContact O-N 3.36Å; A505-F507 VanDerWaalsContact C-N 3.33Å
506	A	70.7	Confident	73	Confident	51 Å²	51	64.8 Å²	64.8	42%	0.421	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.5	-0.5	173.2	0	0	0	0	0	114.3	Y373 S502 T503 F504	Y373-A506 HydrophobicContact CD1-CB 4.14Å; Y373-A506 HydrophobicContact CD2-CB 4.07Å; Y373-A506 HydrophobicContact CE1-CB 4.1Å; Y373-A506 HydrophobicContact CE2-CB 4.02Å; Y373-A506 HydrophobicContact CG-CB 4.13Å; S502-A506 WeakPolarHBondContact O-CB 3.23Å; S502-A506 PolarHBondContact O-N 3.43Å; T503-A506 CarbonylContact O-C 3.56Å; T503-A506 PolarHBondContact O-N 3.41Å; F504-A506 VanDerWaalsContact C-N 3.27Å; F504-A506 PolarHBondContact O-N 3.3Å
507	F	76.4	Confident	72.2	Confident	103 Å²	103	65.2 Å²	65.2	45%	0.452	36%	0.356	S	S	.	.			trans	-79.8	137.9	-173.6	-159.3	-107.6	0	0	0	112	T503 F504 A505 W509 I512	T503-F507 PolarHBondContact O-N 2.88Å; T503-F507 VanDerWaalsContact O-N 3.15Å; F504-F507 VanDerWaalsContact O-CB 3.3Å; F504-F507 WeakPolarHBondContact O-CB 3.31Å; F504-F507 PolarHBondContact O-N 3.19Å; F504-F507 VanDerWaalsContact O-N 3.13Å; A505-F507 VanDerWaalsContact C-N 3.33Å; F507-W509 VanDerWaalsContact C-N 3.26Å; F507-W509 HydrophobicContact CD1-CB 3.7Å; F507-W509 HydrophobicContact CE1-CB 3.67Å; F507-W509 PolarHBondContact O-N 3.36Å; F507-I512 HydrophobicContact CB-CG2 4.18Å; F507-I512 HydrophobicContact CD1-CB 4.12Å; F507-I512 HydrophobicContact CD1-CD1 4.02Å; F507-I512 HydrophobicContact CD1-CG2 4.11Å; F507-I512 HydrophobicContact CE1-CD1 3.95Å; F507-I512 HydrophobicContact CG-CG2 4.39Å
508	G	65.1	Low	71.9	Confident	73 Å²	73	68 Å²	68	75%	0.753	38%	0.376	S	S	*	.	S	Bend	trans	-68.6	-18.7	-173.8	0	0	0	0	0	115.2	A510	G508-A510 PolarHBondContact O-N 2.78Å
509	W	75.3	Confident	71.8	Confident	167 Å²	167	68.3 Å²	68.3	63%	0.633	38%	0.381	S	S	*	.	S	Bend	trans	-87	113.1	-176.6	-153.5	43.1	0	0	0	111.1	F507 L511 I512 R513	F507-W509 VanDerWaalsContact C-N 3.26Å; F507-W509 HydrophobicContact CD1-CB 3.7Å; F507-W509 HydrophobicContact CE1-CB 3.67Å; F507-W509 PolarHBondContact O-N 3.36Å; W509-L511 VanDerWaalsContact C-N 3.26Å; W509-L511 PolarHBondContact O-N 3.43Å; W509-L511 VanDerWaalsContact O-N 3.1Å; W509-I512 HydrophobicContact CE3-CD1 3.77Å; W509-I512 HydrophobicContact CE3-CG1 3.96Å; W509-I512 HydrophobicContact CZ3-CD1 4.34Å; W509-I512 PolarHBondContact O-N 2.84Å; W509-R513 PolarHBondContact O-N 2.89Å; W509-R513 VanDerWaalsContact O-N 3.09Å
510	A	68.6	Low	71.7	Confident	57 Å²	57	65.8 Å²	65.8	47%	0.471	37%	0.369	S	S	.	.	H	α-helix	trans	-55	-35	-166.6	0	0	0	0	0	114.7	G508 R513 N514	G508-A510 PolarHBondContact O-N 2.78Å; A510-R513 PolarHBondContact O-N 3.34Å; A510-N514 VanDerWaalsContact O-CB 3.3Å; A510-N514 WeakPolarHBondContact O-CB 3.39Å; A510-N514 PolarHBondContact O-N 3.38Å
511	L	69.8	Low	71.5	Confident	114 Å²	114	67.5 Å²	67.5	60%	0.597	38%	0.379	S	S	*	.	H	α-helix	trans	-65.7	-40.6	179	-171.8	152	0	0	0	112.4	W509 N515	W509-L511 VanDerWaalsContact C-N 3.26Å; W509-L511 PolarHBondContact O-N 3.43Å; W509-L511 VanDerWaalsContact O-N 3.1Å; L511-N515 WeakPolarHBondContact O-CB 3.45Å; L511-N515 PolarHBondContact O-N 3.49Å
512	I	72.6	Confident	71.6	Confident	40 Å²	40	67.8 Å²	67.8	21%	0.205	39%	0.388	C	S	.	.	H	α-helix	trans	-72.2	-39.9	175.1	-69.5	177.9	0	0	0	110.4	F504 F507 W509 N515 S516	F504-I512 HydrophobicContact CB-CG2 3.81Å; F504-I512 HydrophobicContact CD1-CG2 4.15Å; F504-I512 HydrophobicContact CG-CG2 3.93Å; F507-I512 HydrophobicContact CB-CG2 4.18Å; F507-I512 HydrophobicContact CD1-CB 4.12Å; F507-I512 HydrophobicContact CD1-CD1 4.02Å; F507-I512 HydrophobicContact CD1-CG2 4.11Å; F507-I512 HydrophobicContact CE1-CD1 3.95Å; F507-I512 HydrophobicContact CG-CG2 4.39Å; W509-I512 HydrophobicContact CE3-CD1 3.77Å; W509-I512 HydrophobicContact CE3-CG1 3.96Å; W509-I512 HydrophobicContact CZ3-CD1 4.34Å; W509-I512 PolarHBondContact O-N 2.84Å; I512-N515 CarbonylContact O-C 3.59Å; I512-S516 WeakPolarHBondContact O-CA 3.24Å; I512-S516 VanDerWaalsContact O-CB 3.32Å; I512-S516 WeakPolarHBondContact O-CB 3.31Å; I512-S516 PolarHBondContact O-N 3.5Å
513	R	69.9	Low	72.2	Confident	140 Å²	140	68.3 Å²	68.3	53%	0.528	39%	0.39	S	S	.	.	H	α-helix	trans	-60	-51.2	178.6	-172.9	174.8	72.1	-159.7	5.2	111.9	W509 A510 S516	W509-R513 PolarHBondContact O-N 2.89Å; W509-R513 VanDerWaalsContact O-N 3.09Å; A510-R513 PolarHBondContact O-N 3.34Å; R513-S516 WeakPolarHBondContact O-CB 3.33Å; R513-S516 PolarHBondContact O-OG 3.39Å
514	N	68.4	Low	72.4	Confident	136 Å²	136	65.2 Å²	65.2	73%	0.727	37%	0.371	S	S	*	.	H	α-helix	trans	-69.3	-36.2	-175.8	-161.4	78.6	0	0	0	112.7	A510	A510-N514 VanDerWaalsContact O-CB 3.3Å; A510-N514 WeakPolarHBondContact O-CB 3.39Å; A510-N514 PolarHBondContact O-N 3.38Å
515	N	69.8	Low	72.4	Confident	80 Å²	80	65.2 Å²	65.2	43%	0.428	38%	0.375	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.4	25.8	-178.4	-59.9	-6.9	0	0	0	112.2	L511 I512 Q517 V518 A519	L511-N515 WeakPolarHBondContact O-CB 3.45Å; L511-N515 PolarHBondContact O-N 3.49Å; I512-N515 CarbonylContact O-C 3.59Å; N515-Q517 PolarHBondContact O-N 3.3Å; N515-V518 PolarHBondContact O-N 2.83Å; N515-A519 PolarHBondContact O-N 3.07Å
516	S	69.9	Low	73	Confident	20 Å²	20	68.8 Å²	68.8	14%	0.14	40%	0.398	C	S	.	.	H	α-helix	trans	-57.7	-41.7	-168	45	0	0	0	0	114	I512 R513 V518 A519 T520	I512-S516 WeakPolarHBondContact O-CA 3.24Å; I512-S516 VanDerWaalsContact O-CB 3.32Å; I512-S516 WeakPolarHBondContact O-CB 3.31Å; I512-S516 PolarHBondContact O-N 3.5Å; R513-S516 WeakPolarHBondContact O-CB 3.33Å; R513-S516 PolarHBondContact O-OG 3.39Å; S516-V518 PolarHBondContact O-N 3.06Å; S516-A519 PolarHBondContact O-N 3.27Å; S516-T520 PolarHBondContact O-N 3.48Å; S516-T520 PolarHBondContact O-OG1 2.89Å
517	Q	68.4	Low	73.6	Confident	76 Å²	76	69.4 Å²	69.4	36%	0.355	39%	0.394	S	S	.	.	H	α-helix	trans	-62.4	-39.8	175.5	-173.5	176.9	2	0	0	112.7	N515 T521	N515-Q517 PolarHBondContact O-N 3.3Å; Q517-T521 WeakPolarHBondContact O-CB 3.22Å; Q517-T521 PolarHBondContact O-N 3.48Å; Q517-T521 PolarHBondContact O-OG1 3.43Å
518	V	71.6	Confident	73.9	Confident	91 Å²	91	65.6 Å²	65.6	55%	0.552	38%	0.378	S	S	*	.	H	α-helix	trans	-70.7	-42.4	177.6	-177.7	0	0	0	0	110.4	N515 S516 T521 G522	N515-V518 PolarHBondContact O-N 2.83Å; S516-V518 PolarHBondContact O-N 3.06Å; V518-T521 PolarHBondContact O-N 2.88Å; V518-G522 PolarHBondContact O-N 3.14Å
519	A	73.4	Confident	74.5	Confident	32 Å²	32	65 Å²	65	26%	0.264	36%	0.355	S	S	.	.	H	α-helix	trans	-60.8	-49.1	176.7	0	0	0	0	0	112	F504 N515 S516 T521 G522 T523	F504-A519 HydrophobicContact CD2-CB 4Å; F504-A519 HydrophobicContact CE2-CB 4.23Å; N515-A519 PolarHBondContact O-N 3.07Å; S516-A519 PolarHBondContact O-N 3.27Å; A519-T521 PolarHBondContact O-N 2.94Å; A519-G522 PolarHBondContact O-N 3.31Å; A519-T523 PolarHBondContact O-N 2.76Å; A519-T523 PolarHBondContact O-OG1 3.27Å
520	T	76.2	Confident	74.9	Confident	2 Å²	2	61 Å²	61	1%	0.012	35%	0.351	C	S	.	.	H	α-helix	trans	-61.5	-41.3	175	-66.1	0	0	0	0	112.2	R497 T500 V501 F504 S516 G522 T523 A524	R497-T520 HydrophobicContact CB-CG2 4.23Å; R497-T520 HydrophobicContact CG-CG2 4.17Å; T500-T520 WeakPolarHBondContact OG1-CG2 3.46Å; V501-T520 HydrophobicContact CG2-CG2 3.77Å; V501-T520 PolarHBondContact N-OG1 3.44Å; F504-T520 WeakPolarHBondContact CD2-OG1 3.41Å; S516-T520 PolarHBondContact O-N 3.48Å; S516-T520 PolarHBondContact O-OG1 2.89Å; T520-G522 VanDerWaalsContact C-N 3.33Å; T520-G522 PolarHBondContact O-N 3.15Å; T520-T523 PolarHBondContact O-N 3.25Å; T520-T523 PolarHBondContact O-OG1 2.97Å; T520-A524 WeakPolarHBondContact O-CB 3.3Å; T520-A524 PolarHBondContact O-N 3.05Å
521	T	73.8	Confident	75.7	Confident	49 Å²	49	60.4 Å²	60.4	30%	0.301	34%	0.342	S	S	.	.	H	α-helix	trans	-61.3	-43.9	177.2	-62.6	0	0	0	0	110.9	Q517 V518 A519 V525	Q517-T521 WeakPolarHBondContact O-CB 3.22Å; Q517-T521 PolarHBondContact O-N 3.48Å; Q517-T521 PolarHBondContact O-OG1 3.43Å; V518-T521 PolarHBondContact O-N 2.88Å; A519-T521 PolarHBondContact O-N 2.94Å; T521-V525 WeakPolarHBondContact O-CB 3.49Å; T521-V525 VanDerWaalsContact O-CG2 3.27Å; T521-V525 WeakPolarHBondContact O-CG2 3.46Å; T521-V525 PolarHBondContact O-N 2.92Å
522	G	75.6	Confident	76.3	Confident	37 Å²	37	55.9 Å²	55.9	38%	0.381	32%	0.318	S	S	.	.	H	α-helix	trans	-61.1	-52.3	175.3	0	0	0	0	0	113.3	V518 A519 T520 A524 V525 C526	V518-G522 PolarHBondContact O-N 3.14Å; A519-G522 PolarHBondContact O-N 3.31Å; T520-G522 VanDerWaalsContact C-N 3.33Å; T520-G522 PolarHBondContact O-N 3.15Å; G522-A524 PolarHBondContact O-N 3.15Å; G522-V525 PolarHBondContact O-N 3.01Å; G522-C526 PolarHBondContact O-N 2.83Å; G522-C526 VanDerWaalsContact O-N 3.09Å; G522-C526 PolarHBondContact O-SG 3.39Å
523	T	81.9	Confident	76.8	Confident	48 Å²	48	57.8 Å²	57.8	29%	0.294	33%	0.327	S	S	.	.	H	α-helix	trans	-65.1	-39.1	-179.5	60.1	0	0	0	0	112.2	Y496 F504 A519 T520 C526 I527	Y496-T523 WeakPolarHBondContact OH-CB 3.24Å; Y496-T523 PolarHBondContact OH-OG1 3.32Å; F504-T523 HydrophobicContact CE2-CG2 4.38Å; F504-T523 HydrophobicContact CZ-CG2 4.42Å; A519-T523 PolarHBondContact O-N 2.76Å; A519-T523 PolarHBondContact O-OG1 3.27Å; T520-T523 PolarHBondContact O-N 3.25Å; T520-T523 PolarHBondContact O-OG1 2.97Å; T523-C526 PolarHBondContact O-N 2.86Å; T523-I527 WeakPolarHBondContact O-CG1 3.24Å; T523-I527 PolarHBondContact O-N 3.38Å
524	A	79.8	Confident	77.5	Confident	2 Å²	2	57.2 Å²	57.2	2%	0.017	33%	0.333	C	S	.	.	H	α-helix	trans	-65.4	-37.5	176.9	0	0	0	0	0	112.5	Y496 R497 T520 G522 N528	Y496-A524 HydrophobicContact CD1-CB 4.12Å; Y496-A524 HydrophobicContact CE1-CB 4.03Å; R497-A524 HydrophobicContact CG-CB 3.63Å; T520-A524 WeakPolarHBondContact O-CB 3.3Å; T520-A524 PolarHBondContact O-N 3.05Å; G522-A524 PolarHBondContact O-N 3.15Å; A524-N528 WeakPolarHBondContact O-CB 3.36Å; A524-N528 PolarHBondContact O-N 2.92Å
525	V	75.6	Confident	78.4	Confident	43 Å²	43	51.7 Å²	51.7	26%	0.261	30%	0.304	S	S	.	.	H	α-helix	trans	-65.3	-44.5	174.1	166.7	0	0	0	0	111.1	T521 G522 N528 F529 I622	T521-V525 WeakPolarHBondContact O-CB 3.49Å; T521-V525 VanDerWaalsContact O-CG2 3.27Å; T521-V525 WeakPolarHBondContact O-CG2 3.46Å; T521-V525 PolarHBondContact O-N 2.92Å; G522-V525 PolarHBondContact O-N 3.01Å; V525-N528 PolarHBondContact O-N 2.84Å; V525-F529 WeakPolarHBondContact O-CB 3.29Å; V525-F529 PolarHBondContact O-N 3.49Å; V525-I622 HydrophobicContact CG1-CG2 4.22Å
526	C	79.6	Confident	79.2	Confident	83 Å²	83	49 Å²	49	56%	0.561	29%	0.29	S	S	*	.	H	α-helix	trans	-61.7	-44.3	176.2	-68.4	0	0	0	0	112.4	G522 T523 F529 C530	G522-C526 PolarHBondContact O-N 2.83Å; G522-C526 VanDerWaalsContact O-N 3.09Å; G522-C526 PolarHBondContact O-SG 3.39Å; T523-C526 PolarHBondContact O-N 2.86Å; C526-F529 PolarHBondContact O-N 3.46Å; C526-C530 PolarHBondContact O-N 3.16Å; C526-C530 PolarHBondContact O-SG 3.23Å; C526-C530 VanDerWaalsContact O-SG 3.37Å
527	I	84.4	Confident	80	Confident	65 Å²	65	51.8 Å²	51.8	33%	0.333	31%	0.306	S	S	.	.	H	α-helix	trans	-65.9	-43.8	177.5	-71.2	164.3	0	0	0	111	Y496 T523 F529 C530 V531	Y496-I527 HydrophobicContact CD1-CD1 4.39Å; Y496-I527 HydrophobicContact CD2-CD1 4.34Å; Y496-I527 HydrophobicContact CE1-CD1 3.73Å; Y496-I527 HydrophobicContact CE2-CD1 3.64Å; Y496-I527 WeakPolarHBondContact OH-CD1 3.34Å; T523-I527 WeakPolarHBondContact O-CG1 3.24Å; T523-I527 PolarHBondContact O-N 3.38Å; I527-F529 VanDerWaalsContact C-N 3.33Å; I527-F529 PolarHBondContact O-N 2.9Å; I527-C530 PolarHBondContact O-N 2.98Å; I527-V531 HydrophobicContact CG2-CG2 4.34Å; I527-V531 WeakPolarHBondContact O-CG2 3.34Å; I527-V531 PolarHBondContact O-N 2.83Å
528	N	81.5	Confident	81	Confident	22 Å²	22	52.5 Å²	52.5	12%	0.118	31%	0.311	C	S	.	.	H	α-helix	trans	-57.2	-45.7	174.9	-174.8	35.7	0	0	0	111.4	I493 A524 V525 C530 V531 I532	I493-N528 HydrophobicContact CD1-CB 3.95Å; I493-N528 WeakPolarHBondContact CD1-OD1 3.37Å; A524-N528 WeakPolarHBondContact O-CB 3.36Å; A524-N528 PolarHBondContact O-N 2.92Å; V525-N528 PolarHBondContact O-N 2.84Å; N528-C530 PolarHBondContact O-N 3.41Å; N528-V531 PolarHBondContact O-N 2.7Å; N528-I532 WeakPolarHBondContact O-CB 3.38Å; N528-I532 VanDerWaalsContact O-CG1 3.26Å; N528-I532 WeakPolarHBondContact O-CG1 3.45Å; N528-I532 PolarHBondContact O-N 2.96Å; N528-I532 WeakPolarHBondContact OD1-CD1 3.4Å
529	F	78.8	Confident	81.9	Confident	62 Å²	62	48.1 Å²	48.1	27%	0.272	29%	0.285	S	S	.	.	H	α-helix	trans	-60.2	-46.4	176.3	-177.3	-98.1	0	0	0	112.3	V525 C526 I527 V531 I532 M533 W630	V525-F529 WeakPolarHBondContact O-CB 3.29Å; V525-F529 PolarHBondContact O-N 3.49Å; C526-F529 PolarHBondContact O-N 3.46Å; I527-F529 VanDerWaalsContact C-N 3.33Å; I527-F529 PolarHBondContact O-N 2.9Å; F529-V531 PolarHBondContact O-N 3.46Å; F529-I532 PolarHBondContact O-N 3.49Å; F529-M533 HydrophobicContact CD1-CG 4.28Å; F529-M533 HydrophobicContact CE1-CG 3.95Å; F529-M533 HydrophobicContact CE2-CG 4.43Å; F529-M533 HydrophobicContact CZ-CG 4.04Å; F529-M533 HydrophobicContact CZ-SD 4.3Å; F529-M533 WeakPolarHBondContact O-CB 3.25Å; F529-M533 VanDerWaalsContact O-CG 3.3Å; F529-M533 WeakPolarHBondContact O-CG 3.38Å; F529-M533 PolarHBondContact O-N 3.15Å; F529-W630 AromaticContact CZ-CD1 3.93Å; F529-W630 HydrophobicContact CZ-CD2 4.48Å; F529-W630 HydrophobicContact CZ-CG 4.23Å; F529-W630 AromaticContact CZ-NE1 3.94Å
530	C	83.5	Confident	82.6	Confident	83 Å²	83	50 Å²	50	56%	0.561	29%	0.288	S	S	*	.	H	α-helix	trans	-61.5	-41.2	176.1	-70.5	0	0	0	0	112.8	C526 I527 N528 M533 L534	C526-C530 PolarHBondContact O-N 3.16Å; C526-C530 PolarHBondContact O-SG 3.23Å; C526-C530 VanDerWaalsContact O-SG 3.37Å; I527-C530 PolarHBondContact O-N 2.98Å; N528-C530 PolarHBondContact O-N 3.41Å; C530-M533 PolarHBondContact O-N 3.19Å; C530-L534 WeakPolarHBondContact O-CB 3.44Å; C530-L534 PolarHBondContact O-N 3.18Å
531	V	85.5	Confident	83.2	Confident	44 Å²	44	58.7 Å²	58.7	27%	0.267	32%	0.321	S	S	.	.	H	α-helix	trans	-65.5	-46	176.5	169.3	0	0	0	0	111.1	A489 I527 N528 F529 M533 L534 L535	A489-V531 HydrophobicContact CB-CG1 4.16Å; I527-V531 HydrophobicContact CG2-CG2 4.34Å; I527-V531 WeakPolarHBondContact O-CG2 3.34Å; I527-V531 PolarHBondContact O-N 2.83Å; N528-V531 PolarHBondContact O-N 2.7Å; F529-V531 PolarHBondContact O-N 3.46Å; V531-M533 VanDerWaalsContact C-N 3.35Å; V531-M533 PolarHBondContact O-N 3.21Å; V531-L534 PolarHBondContact O-N 2.87Å; V531-L535 HydrophobicContact CG1-CD1 3.68Å; V531-L535 HydrophobicContact CG1-CG 4.22Å; V531-L535 WeakPolarHBondContact O-CB 3.24Å; V531-L535 VanDerWaalsContact O-CG 3.31Å; V531-L535 WeakPolarHBondContact O-CG 3.29Å; V531-L535 PolarHBondContact O-N 3.35Å
532	I	83.3	Confident	84.1	Confident	19 Å²	19	58.3 Å²	58.3	10%	0.097	32%	0.318	C	S	.	.	H	α-helix	trans	-57.5	-47.4	175.9	-73.5	166.4	0	0	0	110.6	N528 F529 L535 N536 N573	N528-I532 WeakPolarHBondContact O-CB 3.38Å; N528-I532 VanDerWaalsContact O-CG1 3.26Å; N528-I532 WeakPolarHBondContact O-CG1 3.45Å; N528-I532 PolarHBondContact O-N 2.96Å; N528-I532 WeakPolarHBondContact OD1-CD1 3.4Å; F529-I532 PolarHBondContact O-N 3.49Å; I532-L535 PolarHBondContact O-N 2.66Å; I532-N536 WeakPolarHBondContact O-CB 3.46Å; I532-N536 PolarHBondContact O-N 2.96Å; I532-N536 PolarHBondContact O-ND2 3.15Å; I532-N536 PolarHBondContact O-OD1 3.03Å; I532-N573 PolarHBondContact O-ND2 3.03Å
533	M	81.1	Confident	84.8	Confident	79 Å²	79	56.5 Å²	56.5	39%	0.389	30%	0.3	S	S	.	.	H	α-helix	trans	-62.2	-43.1	178.7	-72.8	-63	-65.2	0	0	112.5	F529 C530 V531 V537	F529-M533 HydrophobicContact CD1-CG 4.28Å; F529-M533 HydrophobicContact CE1-CG 3.95Å; F529-M533 HydrophobicContact CE2-CG 4.43Å; F529-M533 HydrophobicContact CZ-CG 4.04Å; F529-M533 HydrophobicContact CZ-SD 4.3Å; F529-M533 WeakPolarHBondContact O-CB 3.25Å; F529-M533 VanDerWaalsContact O-CG 3.3Å; F529-M533 WeakPolarHBondContact O-CG 3.38Å; F529-M533 PolarHBondContact O-N 3.15Å; C530-M533 PolarHBondContact O-N 3.19Å; V531-M533 VanDerWaalsContact C-N 3.35Å; V531-M533 PolarHBondContact O-N 3.21Å; M533-V537 PolarHBondContact O-N 3.19Å
534	L	86.2	Confident	85.2	Confident	128 Å²	128	55.5 Å²	55.5	67%	0.67	29%	0.292	S	S	*	.	H	α-helix	trans	-66.2	-46.7	177.7	179.9	62.9	0	0	0	112.2	C530 V531 N536 V537 L538	C530-L534 WeakPolarHBondContact O-CB 3.44Å; C530-L534 PolarHBondContact O-N 3.18Å; V531-L534 PolarHBondContact O-N 2.87Å; L534-N536 VanDerWaalsContact C-N 3.3Å; L534-N536 PolarHBondContact O-N 2.87Å; L534-V537 PolarHBondContact O-N 3.47Å; L534-L538 PolarHBondContact O-N 2.9Å; L534-L538 VanDerWaalsContact O-N 3.16Å
535	L	87.5	Confident	85.7	Confident	20 Å²	20	62.1 Å²	62.1	11%	0.105	32%	0.321	C	S	.	.	H	α-helix	trans	-65.1	-33.1	179.7	-71.3	176.7	0	0	0	112.1	V485 V486 A489 V531 I532 L538 Y539 F569	V485-L535 HydrophobicContact CG1-CD2 4.37Å; V486-L535 HydrophobicContact CG2-CD1 4.45Å; A489-L535 HydrophobicContact CB-CD1 4.15Å; V531-L535 HydrophobicContact CG1-CD1 3.68Å; V531-L535 HydrophobicContact CG1-CG 4.22Å; V531-L535 WeakPolarHBondContact O-CB 3.24Å; V531-L535 VanDerWaalsContact O-CG 3.31Å; V531-L535 WeakPolarHBondContact O-CG 3.29Å; V531-L535 PolarHBondContact O-N 3.35Å; I532-L535 PolarHBondContact O-N 2.66Å; L535-L538 PolarHBondContact O-N 3.41Å; L535-Y539 WeakPolarHBondContact O-CB 3.32Å; L535-Y539 PolarHBondContact O-N 3.29Å; L535-F569 HydrophobicContact CB-CZ 4.17Å
536	N	86.5	Confident	86.4	Confident	25 Å²	25	60.7 Å²	60.7	13%	0.134	31%	0.312	C	S	.	.	H	α-helix	trans	-61.3	-49.6	174.7	-77	-9.3	0	0	0	112.5	I532 L534 L538 Y539 E540 Q570 N573	I532-N536 WeakPolarHBondContact O-CB 3.46Å; I532-N536 PolarHBondContact O-N 2.96Å; I532-N536 PolarHBondContact O-ND2 3.15Å; I532-N536 PolarHBondContact O-OD1 3.03Å; L534-N536 VanDerWaalsContact C-N 3.3Å; L534-N536 PolarHBondContact O-N 2.87Å; N536-L538 VanDerWaalsContact C-N 3.3Å; N536-L538 PolarHBondContact O-N 2.73Å; N536-Y539 PolarHBondContact O-N 3.12Å; N536-E540 PolarHBondContact O-N 3.36Å; N536-Q570 VanDerWaalsContact CG-NE2 3.32Å; N536-Q570 PolarHBondContact ND2-OE1 3.03Å; N536-Q570 PolarHBondContact OD1-NE2 3.42Å; N536-Q570 VanDerWaalsContact OD1-NE2 3.16Å; N536-Q570 PolarHBondContact OD1-OE1 3.31Å; N536-N573 PolarHBondContact OD1-ND2 3.47Å
537	V	86.7	Confident	87	Confident	78 Å²	78	56.7 Å²	56.7	47%	0.473	29%	0.285	S	S	.	.	H	α-helix	trans	-65.6	-34.3	179.6	176.7	0	0	0	0	111.7	M533 L534	M533-V537 PolarHBondContact O-N 3.19Å; L534-V537 PolarHBondContact O-N 3.47Å
538	L	89.3	Confident	87.1	Confident	90 Å²	90	56.8 Å²	56.8	47%	0.471	29%	0.286	S	S	.	.	H	α-helix	trans	-67.6	-48.1	173.1	-179.5	62.3	0	0	0	111.5	M482 L534 L535 N536 E540 R541 V542	M482-L538 HydrophobicContact CE-CD2 4.41Å; L534-L538 PolarHBondContact O-N 2.9Å; L534-L538 VanDerWaalsContact O-N 3.16Å; L535-L538 PolarHBondContact O-N 3.41Å; N536-L538 VanDerWaalsContact C-N 3.3Å; N536-L538 PolarHBondContact O-N 2.73Å; L538-E540 PolarHBondContact O-N 2.95Å; L538-R541 PolarHBondContact O-N 3.08Å; L538-V542 PolarHBondContact O-N 3.29Å
539	Y	89.9	Confident	87.5	Confident	0 Å²	0	58 Å²	58	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-67.7	-34.1	-176	-173.6	-91.3	0	0	0	112.9	M482 L535 N536 R541 V542 A543 K565 M566 F569	M482-Y539 HydrophobicContact CB-CD2 3.7Å; M482-Y539 HydrophobicContact CB-CE2 3.62Å; M482-Y539 HydrophobicContact CE-CD2 3.92Å; M482-Y539 HydrophobicContact CG-CD2 3.75Å; M482-Y539 HydrophobicContact CG-CE2 3.81Å; L535-Y539 WeakPolarHBondContact O-CB 3.32Å; L535-Y539 PolarHBondContact O-N 3.29Å; N536-Y539 PolarHBondContact O-N 3.12Å; Y539-R541 VanDerWaalsContact C-N 3.29Å; Y539-R541 PolarHBondContact O-N 2.97Å; Y539-V542 CarbonylContact O-C 3.51Å; Y539-V542 PolarHBondContact O-N 3.46Å; Y539-A543 HydrophobicContact CD1-CB 4.1Å; Y539-A543 HydrophobicContact CE1-CB 3.65Å; Y539-A543 WeakPolarHBondContact O-CB 3.48Å; Y539-A543 PolarHBondContact O-N 2.85Å; Y539-K565 PolarHBondContact OH-O 2.96Å; Y539-M566 HydrophobicContact CD1-SD 3.79Å; Y539-M566 HydrophobicContact CE1-SD 4.17Å; Y539-F569 VanDerWaalsContact CB-CZ 3.46Å; Y539-F569 HydrophobicContact CD1-CB 3.67Å; Y539-F569 AromaticContact CD1-CD1 3.38Å; Y539-F569 HydrophobicContact CD1-CD1 3.38Å; Y539-F569 HydrophobicContact CD1-CD2 4.09Å; Y539-F569 HydrophobicContact CD1-CE1 4.03Å; Y539-F569 AromaticContact CD1-CG 3.42Å; Y539-F569 HydrophobicContact CD1-CG 3.42Å; Y539-F569 VanDerWaalsContact CD1-CG 3.42Å; Y539-F569 HydrophobicContact CD2-CB 4.09Å; Y539-F569 HydrophobicContact CD2-CD1 4.06Å; Y539-F569 AromaticContact CD2-CD2 3.27Å; Y539-F569 HydrophobicContact CD2-CD2 3.27Å; Y539-F569 HydrophobicContact CD2-CE1 4.36Å; Y539-F569 AromaticContact CD2-CE2 3.61Å; Y539-F569 HydrophobicContact CD2-CE2 3.61Å; Y539-F569 AromaticContact CD2-CG 3.52Å; Y539-F569 HydrophobicContact CD2-CG 3.52Å; Y539-F569 HydrophobicContact CD2-CZ 4.15Å; Y539-F569 HydrophobicContact CE1-CB 3.36Å; Y539-F569 HydrophobicContact CE1-CD1 4.03Å; Y539-F569 HydrophobicContact CE1-CD2 4.39Å; Y539-F569 AromaticContact CE1-CG 3.68Å; Y539-F569 HydrophobicContact CE1-CG 3.68Å; Y539-F569 HydrophobicContact CE2-CB 3.81Å; Y539-F569 AromaticContact CE2-CD2 3.63Å; Y539-F569 HydrophobicContact CE2-CD2 3.63Å; Y539-F569 HydrophobicContact CE2-CE2 4.38Å; Y539-F569 AromaticContact CE2-CG 3.76Å; Y539-F569 HydrophobicContact CE2-CG 3.76Å; Y539-F569 HydrophobicContact CG-CB 4.03Å; Y539-F569 AromaticContact CG-CD1 3.4Å; Y539-F569 HydrophobicContact CG-CD1 3.4Å; Y539-F569 VanDerWaalsContact CG-CD1 3.4Å; Y539-F569 AromaticContact CG-CD2 3.54Å; Y539-F569 HydrophobicContact CG-CD2 3.54Å; Y539-F569 AromaticContact CG-CE1 3.66Å; Y539-F569 HydrophobicContact CG-CE1 3.66Å; Y539-F569 AromaticContact CG-CE2 3.76Å; Y539-F569 HydrophobicContact CG-CE2 3.76Å; Y539-F569 AromaticContact CG-CG 3.35Å; Y539-F569 HydrophobicContact CG-CG 3.35Å; Y539-F569 AromaticContact CG-CZ 3.83Å; Y539-F569 HydrophobicContact CG-CZ 3.83Å; Y539-F569 VanDerWaalsContact CZ-CB 3.44Å; Y539-F569 AromaticContact CZ-CG 3.84Å
540	E	88.3	Confident	87.9	Confident	70 Å²	70	55.9 Å²	55.9	33%	0.327	28%	0.283	S	S	.	.	H	α-helix	trans	-51.1	-50.5	174	-169.3	-161	144.8	0	0	111.2	N536 L538 V542 A543 L544 M566 Y677	N536-E540 PolarHBondContact O-N 3.36Å; L538-E540 PolarHBondContact O-N 2.95Å; E540-V542 VanDerWaalsContact C-N 3.32Å; E540-V542 PolarHBondContact O-N 3.02Å; E540-A543 PolarHBondContact O-N 3.05Å; E540-L544 HydrophobicContact CG-CD1 4.12Å; E540-L544 WeakPolarHBondContact O-CD1 3.48Å; E540-L544 WeakPolarHBondContact O-CG 3.22Å; E540-L544 PolarHBondContact O-N 3.26Å; E540-M566 HydrophobicContact CB-CE 3.75Å; E540-M566 HydrophobicContact CG-CE 3.74Å; E540-Y677 WeakPolarHBondContact OE1-CE2 3.4Å
541	R	89.2	Confident	88	Confident	186 Å²	186	54.4 Å²	54.4	70%	0.702	27%	0.268	S	S	*	.	H	α-helix	trans	-62.5	-37.9	178.6	-61.8	-178.8	179.5	-164.6	-0.8	112.3	L538 Y539 F545	L538-R541 PolarHBondContact O-N 3.08Å; Y539-R541 VanDerWaalsContact C-N 3.29Å; Y539-R541 PolarHBondContact O-N 2.97Å; R541-F545 WeakPolarHBondContact O-CB 3.31Å; R541-F545 PolarHBondContact O-N 2.93Å; R541-F545 VanDerWaalsContact O-N 3.11Å
542	V	91.6	Very high	88	Confident	40 Å²	40	52.8 Å²	52.8	24%	0.242	26%	0.259	C	S	.	.	H	α-helix	trans	-67.6	-47.4	176.1	176.1	0	0	0	0	111	M482 L538 Y539 E540 L544 F545 L546	M482-V542 HydrophobicContact CG-CG1 4.27Å; L538-V542 PolarHBondContact O-N 3.29Å; Y539-V542 CarbonylContact O-C 3.51Å; Y539-V542 PolarHBondContact O-N 3.46Å; E540-V542 VanDerWaalsContact C-N 3.32Å; E540-V542 PolarHBondContact O-N 3.02Å; V542-L544 VanDerWaalsContact C-N 3.31Å; V542-L544 PolarHBondContact O-N 3.24Å; V542-F545 PolarHBondContact O-N 2.72Å; V542-L546 HydrophobicContact CG1-CD1 3.84Å; V542-L546 HydrophobicContact CG1-CG 4.13Å; V542-L546 WeakPolarHBondContact O-CB 3.44Å; V542-L546 VanDerWaalsContact O-CG 3.3Å; V542-L546 WeakPolarHBondContact O-CG 3.47Å; V542-L546 PolarHBondContact O-N 2.9Å
543	A	91.3	Very high	88	Confident	0 Å²	0	56 Å²	56	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-60.1	-40.3	179.4	0	0	0	0	0	112.3	Y539 E540 T547 F562	Y539-A543 HydrophobicContact CD1-CB 4.1Å; Y539-A543 HydrophobicContact CE1-CB 3.65Å; Y539-A543 WeakPolarHBondContact O-CB 3.48Å; Y539-A543 PolarHBondContact O-N 2.85Å; E540-A543 PolarHBondContact O-N 3.05Å; A543-T547 WeakPolarHBondContact O-CB 3.2Å; A543-T547 PolarHBondContact O-N 3.02Å; A543-T547 PolarHBondContact O-OG1 3.4Å; A543-F562 HydrophobicContact CB-CD2 4.19Å; A543-F562 HydrophobicContact CB-CE2 3.88Å
544	L	88.9	Confident	88	Confident	27 Å²	27	52.7 Å²	52.7	14%	0.141	25%	0.254	C	S	.	.	H	α-helix	trans	-65.1	-45.8	175	-66.3	163.6	0	0	0	111.7	E540 V542 N548 W558 F562 Y677	E540-L544 HydrophobicContact CG-CD1 4.12Å; E540-L544 WeakPolarHBondContact O-CD1 3.48Å; E540-L544 WeakPolarHBondContact O-CG 3.22Å; E540-L544 PolarHBondContact O-N 3.26Å; V542-L544 VanDerWaalsContact C-N 3.31Å; V542-L544 PolarHBondContact O-N 3.24Å; L544-N548 VanDerWaalsContact O-CB 3.29Å; L544-N548 WeakPolarHBondContact O-CB 3.29Å; L544-N548 VanDerWaalsContact O-CG 3.25Å; L544-N548 PolarHBondContact O-N 3.4Å; L544-N548 PolarHBondContact O-ND2 3.03Å; L544-W558 HydrophobicContact CD2-CH2 4.28Å; L544-W558 HydrophobicContact CD2-CZ2 4.21Å; L544-F562 HydrophobicContact CD2-CD2 4.04Å; L544-F562 HydrophobicContact CD2-CE2 3.54Å; L544-F562 HydrophobicContact CD2-CZ 4.05Å; L544-F562 HydrophobicContact CG-CE2 3.84Å; L544-F562 HydrophobicContact CG-CZ 4.5Å; L544-Y677 HydrophobicContact CD1-CE1 4.47Å; L544-Y677 HydrophobicContact CD1-CE2 4.46Å; L544-Y677 WeakPolarHBondContact CD1-OH 3.11Å; L544-Y677 HydrophobicContact CD2-CD1 4.16Å; L544-Y677 HydrophobicContact CD2-CE1 3.37Å; L544-Y677 HydrophobicContact CD2-CE2 4.4Å
545	F	90.5	Very high	87.7	Confident	140 Å²	140	51.3 Å²	51.3	61%	0.614	24%	0.244	S	C	*	.	H	α-helix	trans	-60.6	-47.6	176.2	177.2	-100.3	0	0	0	111.7	R541 V542 N548 L549	R541-F545 WeakPolarHBondContact O-CB 3.31Å; R541-F545 PolarHBondContact O-N 2.93Å; R541-F545 VanDerWaalsContact O-N 3.11Å; V542-F545 PolarHBondContact O-N 2.72Å; F545-N548 PolarHBondContact O-N 2.69Å; F545-L549 HydrophobicContact CE1-CD1 4.17Å; F545-L549 HydrophobicContact CZ-CD1 4.33Å; F545-L549 WeakPolarHBondContact O-CB 3.23Å; F545-L549 PolarHBondContact O-N 3.32Å
546	L	91.4	Very high	87.4	Confident	13 Å²	13	52.6 Å²	52.6	7%	0.068	25%	0.254	C	S	.	.	H	α-helix	trans	-63.4	-46.4	179.2	-68.4	-178.7	0	0	0	112.4	I479 V542 N548 L549 E550	I479-L546 HydrophobicContact CG1-CD1 4.44Å; V542-L546 HydrophobicContact CG1-CD1 3.84Å; V542-L546 HydrophobicContact CG1-CG 4.13Å; V542-L546 WeakPolarHBondContact O-CB 3.44Å; V542-L546 VanDerWaalsContact O-CG 3.3Å; V542-L546 WeakPolarHBondContact O-CG 3.47Å; V542-L546 PolarHBondContact O-N 2.9Å; L546-N548 VanDerWaalsContact C-N 3.31Å; L546-N548 PolarHBondContact O-N 2.93Å; L546-L549 WeakPolarHBondContact O-CB 3.48Å; L546-L549 PolarHBondContact O-N 3.29Å; L546-E550 PolarHBondContact O-N 3.13Å; L546-E550 VanDerWaalsContact O-N 3.13Å
547	T	91.1	Very high	87.3	Confident	0 Å²	0	54.8 Å²	54.8	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-67.6	-32.3	179.8	-44.3	0	0	0	0	112	A543 L549 W558 F562 K565	A543-T547 WeakPolarHBondContact O-CB 3.2Å; A543-T547 PolarHBondContact O-N 3.02Å; A543-T547 PolarHBondContact O-OG1 3.4Å; T547-L549 VanDerWaalsContact C-N 3.33Å; T547-W558 HydrophobicContact CG2-CG 4.28Å; T547-F562 HydrophobicContact CG2-CB 4.13Å; T547-K565 VanDerWaalsContact OG1-CD 3.3Å; T547-K565 WeakPolarHBondContact OG1-CD 3.27Å
548	N	88.1	Confident	87.3	Confident	67 Å²	67	52.1 Å²	52.1	36%	0.358	25%	0.245	S	C	.	.	H	α-helix	trans	-75.5	-19.8	172.7	-70.3	-33.2	0	0	0	113.3	L544 F545 L546 Q551 W558	L544-N548 VanDerWaalsContact O-CB 3.29Å; L544-N548 WeakPolarHBondContact O-CB 3.29Å; L544-N548 VanDerWaalsContact O-CG 3.25Å; L544-N548 PolarHBondContact O-N 3.4Å; L544-N548 PolarHBondContact O-ND2 3.03Å; F545-N548 PolarHBondContact O-N 2.69Å; L546-N548 VanDerWaalsContact C-N 3.31Å; L546-N548 PolarHBondContact O-N 2.93Å; N548-Q551 WeakPolarHBondContact O-CG 3.5Å; N548-W558 PolarHBondContact OD1-NE1 3.49Å
549	L	88.4	Confident	87.2	Confident	47 Å²	47	50.3 Å²	50.3	25%	0.246	24%	0.235	C	C	.	.	H	α-helix	trans	-78	-31.8	172.8	-179	150.8	0	0	0	112.7	R471 V474 F545 L546 T547	R471-L549 HydrophobicContact CB-CD2 4.28Å; R471-L549 WeakPolarHBondContact CD-O 3.33Å; R471-L549 HydrophobicContact CG-CD2 4.39Å; R471-L549 PolarHBondContact NH1-O 2.81Å; V474-L549 HydrophobicContact CG1-CD2 4.17Å; F545-L549 HydrophobicContact CE1-CD1 4.17Å; F545-L549 HydrophobicContact CZ-CD1 4.33Å; F545-L549 WeakPolarHBondContact O-CB 3.23Å; F545-L549 PolarHBondContact O-N 3.32Å; L546-L549 WeakPolarHBondContact O-CB 3.48Å; L546-L549 PolarHBondContact O-N 3.29Å; T547-L549 VanDerWaalsContact C-N 3.33Å
550	E	87.6	Confident	87.1	Confident	18 Å²	18	52.5 Å²	52.5	8%	0.084	25%	0.246	C	C	.	.	H	α-helix	trans	-63.7	-39	173.3	-70.6	178.8	153.1	0	0	112.9	L472 S475 L546 S561 K565	L472-E550 WeakPolarHBondContact CD1-OE1 3.36Å; S475-E550 VanDerWaalsContact CB-OE1 3.28Å; S475-E550 WeakPolarHBondContact CB-OE1 3.19Å; S475-E550 PolarHBondContact OG-OE1 3.36Å; L546-E550 PolarHBondContact O-N 3.13Å; L546-E550 VanDerWaalsContact O-N 3.13Å; E550-S561 PolarHBondContact OE2-OG 2.93Å; E550-K565 WeakPolarHBondContact OE1-CE 3.4Å; E550-K565 IonicContact OE1-NZ 2.6Å; E550-K565 PolarHBondContact OE1-NZ 3.41Å; E550-K565 IonicContact OE2-NZ 3.4Å; E550-K565 PolarHBondContact OE2-NZ 3.01Å
551	Q	85.4	Confident	87.2	Confident	52 Å²	52	50.5 Å²	50.5	24%	0.243	24%	0.24	C	C	.	.			trans	58.4	62.2	-178.1	-58.8	-174.1	-46.9	0	0	114.3	F442 N548	F442-Q551 WeakPolarHBondContact CD2-O 3.3Å; N548-Q551 WeakPolarHBondContact O-CG 3.5Å
552	P	86	Confident	87.3	Confident	10 Å²	10	41.7 Å²	41.7	7%	0.065	21%	0.207	C	C	.	.			trans	-59.2	152.1	171.8	24.3	-34.3	0	0	0	113.4	E557 W558	P552-E557 HydrophobicContact CB-CB 3.57Å; P552-W558 HydrophobicContact CB-CB 4.38Å; P552-W558 HydrophobicContact CG-CB 3.59Å; P552-W558 HydrophobicContact CG-CG 3.98Å
553	R	82.4	Confident	87.3	Confident	85 Å²	85	40.2 Å²	40.2	32%	0.321	20%	0.198	S	C	.	.	S	Bend	trans	-72	-52.5	-174.1	177	-175.2	160.6	135.5	1.4	112.1	I438 R439 F442 E460 E557	I438-R553 HydrophobicContact CG1-CG 4.48Å; I438-R553 HydrophobicContact CG2-CG 4.24Å; R439-R553 PolarHBondContact N-O 3.07Å; F442-R553 HydrophobicContact CD1-CG 4.44Å; F442-R553 HydrophobicContact CE1-CB 4.48Å; F442-R553 HydrophobicContact CE1-CG 4.26Å; F442-R553 HydrophobicContact CE2-CB 4.35Å; F442-R553 HydrophobicContact CZ-CB 4.32Å; E460-R553 IonicContact OE2-CZ 3.15Å; E460-R553 VanDerWaalsContact OE2-CZ 3.32Å; E460-R553 IonicContact OE2-NH1 2.57Å; E460-R553 PolarHBondContact OE2-NH1 3.48Å; E460-R553 IonicContact OE2-NH2 3.41Å; E460-R553 PolarHBondContact OE2-NH2 2.99Å; R553-E557 WeakPolarHBondContact CB-OE2 3.21Å; R553-E557 PolarHBondContact N-OE2 2.89Å
554	T	82.6	Confident	87.3	Confident	10 Å²	10	45 Å²	45	6%	0.061	22%	0.219	C	C	.	.	B	Isolated β-bridge	trans	-110.8	161.9	-175.3	75.4	0	0	0	0	111.5	D436 E437 R439 S556 E557 W558	D436-T554 HydrophobicContact CB-CG2 4.2Å; D436-T554 WeakPolarHBondContact OD2-CB 3.25Å; D436-T554 VanDerWaalsContact OD2-CG2 3.28Å; D436-T554 WeakPolarHBondContact OD2-CG2 3.4Å; D436-T554 PolarHBondContact OD2-OG1 3.01Å; E437-T554 WeakPolarHBondContact O-CA 3.36Å; E437-T554 WeakPolarHBondContact O-CB 2.99Å; R439-T554 WeakPolarHBondContact CD-O 3.32Å; T554-S556 VanDerWaalsContact C-N 3.25Å; T554-S556 PolarHBondContact O-N 3.11Å; T554-E557 PolarHBondContact O-N 2.98Å; T554-E557 PolarHBondContact OG1-N 3Å; T554-W558 PolarHBondContact O-N 3.31Å; T554-W558 VanDerWaalsContact O-N 3.15Å
555	E	79.9	Confident	87.5	Confident	100 Å²	100	44.1 Å²	44.1	47%	0.467	21%	0.214	S	C	.	.	H	α-helix	trans	-65	-33	177.4	-170.1	152.4	-131.5	0	0	111.5	R439 W558 E559	R439-E555 HydrophobicContact CG-CB 4.44Å; E555-W558 PolarHBondContact O-N 3.39Å; E555-E559 PolarHBondContact O-N 3.43Å
556	S	80.8	Confident	87.5	Confident	46 Å²	46	37.8 Å²	37.8	32%	0.322	19%	0.186	S	C	.	.	H	α-helix	trans	-61.6	-47.4	170.8	-175.2	0	0	0	0	112.6	T554 W558 E559 N560	T554-S556 VanDerWaalsContact C-N 3.25Å; T554-S556 PolarHBondContact O-N 3.11Å; S556-W558 PolarHBondContact O-N 3.46Å; S556-E559 PolarHBondContact O-N 3.46Å; S556-N560 WeakPolarHBondContact O-CB 3.48Å; S556-N560 PolarHBondContact O-N 2.74Å; S556-N560 PolarHBondContact O-ND2 3.44Å; S556-N560 PolarHBondContact OG-ND2 3.24Å
557	E	83.9	Confident	87.6	Confident	72 Å²	72	38 Å²	38	34%	0.336	19%	0.187	S	C	.	.	H	α-helix	trans	-57.7	-38.4	173.3	-85.4	-162.6	139.6	0	0	111.5	K468 P552 R553 T554 S561	K468-E557 IonicContact NZ-OE1 2.74Å; K468-E557 PolarHBondContact NZ-OE1 3.05Å; K468-E557 IonicContact NZ-OE2 2.63Å; P552-E557 HydrophobicContact CB-CB 3.57Å; R553-E557 WeakPolarHBondContact CB-OE2 3.21Å; R553-E557 PolarHBondContact N-OE2 2.89Å; T554-E557 PolarHBondContact O-N 2.98Å; T554-E557 PolarHBondContact OG1-N 3Å; E557-S561 VanDerWaalsContact O-CB 3.22Å; E557-S561 WeakPolarHBondContact O-CB 3.34Å; E557-S561 PolarHBondContact O-N 3.28Å
558	W	87.1	Confident	87.6	Confident	21 Å²	21	40.6 Å²	40.6	8%	0.08	20%	0.2	C	C	.	.	H	α-helix	trans	-69.7	-49.8	-179.5	-173	87.5	0	0	0	112.8	R439 L544 T547 N548 P552 T554 E555 S556 N560 S561 F562 Y677	R439-W558 VanDerWaalsContact CZ-CD1 3.48Å; L544-W558 HydrophobicContact CD2-CH2 4.28Å; L544-W558 HydrophobicContact CD2-CZ2 4.21Å; T547-W558 HydrophobicContact CG2-CG 4.28Å; N548-W558 PolarHBondContact OD1-NE1 3.49Å; P552-W558 HydrophobicContact CB-CB 4.38Å; P552-W558 HydrophobicContact CG-CB 3.59Å; P552-W558 HydrophobicContact CG-CG 3.98Å; T554-W558 PolarHBondContact O-N 3.31Å; T554-W558 VanDerWaalsContact O-N 3.15Å; E555-W558 PolarHBondContact O-N 3.39Å; S556-W558 PolarHBondContact O-N 3.46Å; W558-N560 PolarHBondContact O-N 3.34Å; W558-S561 PolarHBondContact O-N 3.03Å; W558-F562 WeakPolarHBondContact O-CB 3.45Å; W558-F562 PolarHBondContact O-N 3.18Å; W558-Y677 AromaticContact CH2-CD1 3.81Å; W558-Y677 HydrophobicContact CH2-CD1 3.81Å; W558-Y677 HydrophobicContact CH2-CE1 4.08Å; W558-Y677 HydrophobicContact CZ3-CD1 4.3Å
559	E	86.4	Confident	87.8	Confident	53 Å²	53	37.5 Å²	37.5	25%	0.248	18%	0.183	C	C	.	.	H	α-helix	trans	-59.7	-45.8	176.7	-76.7	-170.2	160.1	0	0	111.2	K316 E555 S556 S561 T563	K316-E559 IonicContact NZ-OE1 3.52Å; K316-E559 PolarHBondContact NZ-OE1 3.47Å; K316-E559 IonicContact NZ-OE2 3.9Å; K316-E559 PolarHBondContact NZ-OE2 3.02Å; E555-E559 PolarHBondContact O-N 3.43Å; S556-E559 PolarHBondContact O-N 3.46Å; E559-S561 PolarHBondContact O-N 2.93Å; E559-T563 WeakPolarHBondContact O-CB 3.48Å; E559-T563 PolarHBondContact O-N 3.4Å; E559-T563 PolarHBondContact O-OG1 2.79Å
560	N	88.9	Confident	87.8	Confident	45 Å²	45	36 Å²	36	24%	0.241	18%	0.175	C	C	.	.	H	α-helix	trans	-64	-41.6	179.3	-74	-60	0	0	0	111.9	S556 W558 T563 F564 I739	S556-N560 WeakPolarHBondContact O-CB 3.48Å; S556-N560 PolarHBondContact O-N 2.74Å; S556-N560 PolarHBondContact O-ND2 3.44Å; S556-N560 PolarHBondContact OG-ND2 3.24Å; W558-N560 PolarHBondContact O-N 3.34Å; N560-T563 PolarHBondContact O-N 2.96Å; N560-F564 PolarHBondContact O-N 2.87Å; N560-I739 HydrophobicContact CB-CB 4.23Å; N560-I739 HydrophobicContact CB-CG2 4.2Å; N560-I739 VanDerWaalsContact OD1-CB 3.24Å; N560-I739 WeakPolarHBondContact OD1-CB 3.1Å; N560-I739 VanDerWaalsContact OD1-CG2 3.3Å; N560-I739 WeakPolarHBondContact OD1-CG2 3.27Å; N560-I739 PolarHBondContact OD1-N 3.41Å
561	S	90.5	Very high	88	Confident	28 Å²	28	36.2 Å²	36.2	20%	0.196	18%	0.176	C	C	.	.	H	α-helix	trans	-66.6	-45.6	178.3	-172.4	0	0	0	0	112.5	E550 E557 W558 E559 K565	E550-S561 PolarHBondContact OE2-OG 2.93Å; E557-S561 VanDerWaalsContact O-CB 3.22Å; E557-S561 WeakPolarHBondContact O-CB 3.34Å; E557-S561 PolarHBondContact O-N 3.28Å; W558-S561 PolarHBondContact O-N 3.03Å; E559-S561 PolarHBondContact O-N 2.93Å; S561-K565 WeakPolarHBondContact O-CD 3.17Å; S561-K565 VanDerWaalsContact O-CG 3.27Å; S561-K565 WeakPolarHBondContact O-CG 3.4Å; S561-K565 PolarHBondContact O-N 3Å; S561-K565 PolarHBondContact OG-NZ 3.37Å
562	F	91.1	Very high	88.2	Confident	2 Å²	2	35.1 Å²	35.1	1%	0.009	17%	0.173	C	C	.	.	H	α-helix	trans	-61.3	-45.2	174	175.5	-106	0	0	0	111.4	A543 L544 T547 W558 F564 K565 M566 Y677 F680	A543-F562 HydrophobicContact CB-CD2 4.19Å; A543-F562 HydrophobicContact CB-CE2 3.88Å; L544-F562 HydrophobicContact CD2-CD2 4.04Å; L544-F562 HydrophobicContact CD2-CE2 3.54Å; L544-F562 HydrophobicContact CD2-CZ 4.05Å; L544-F562 HydrophobicContact CG-CE2 3.84Å; L544-F562 HydrophobicContact CG-CZ 4.5Å; T547-F562 HydrophobicContact CG2-CB 4.13Å; W558-F562 WeakPolarHBondContact O-CB 3.45Å; W558-F562 PolarHBondContact O-N 3.18Å; F562-F564 PolarHBondContact O-N 2.93Å; F562-K565 WeakPolarHBondContact O-CB 3.34Å; F562-K565 PolarHBondContact O-N 3.46Å; F562-M566 HydrophobicContact CZ-CE 4.21Å; F562-M566 WeakPolarHBondContact O-CB 3.49Å; F562-M566 PolarHBondContact O-N 3.38Å; F562-Y677 HydrophobicContact CE1-CD1 4.3Å; F562-Y677 HydrophobicContact CE1-CD2 4.18Å; F562-Y677 AromaticContact CE1-CG 3.88Å; F562-Y677 HydrophobicContact CE1-CG 3.88Å; F562-Y677 HydrophobicContact CZ-CD1 4.48Å; F562-Y677 HydrophobicContact CZ-CD2 4.15Å; F562-Y677 HydrophobicContact CZ-CE2 4.47Å; F562-Y677 HydrophobicContact CZ-CG 4.19Å; F562-F680 HydrophobicContact CD1-CD2 4.36Å; F562-F680 HydrophobicContact CD1-CG 4.41Å; F562-F680 AromaticContact CE1-CD1 3.89Å; F562-F680 HydrophobicContact CE1-CD1 3.89Å; F562-F680 HydrophobicContact CE1-CD2 4.29Å; F562-F680 HydrophobicContact CE1-CE1 4.18Å; F562-F680 AromaticContact CE1-CG 3.98Å; F562-F680 HydrophobicContact CE1-CG 3.98Å
563	T	91.6	Very high	88.3	Confident	9 Å²	9	35 Å²	35	6%	0.055	17%	0.171	C	C	.	.	H	α-helix	trans	-58.8	-48.3	-179.1	-67.4	0	0	0	0	111.8	E559 N560 K565 F567 F680 I739 W740 I743	E559-T563 WeakPolarHBondContact O-CB 3.48Å; E559-T563 PolarHBondContact O-N 3.4Å; E559-T563 PolarHBondContact O-OG1 2.79Å; N560-T563 PolarHBondContact O-N 2.96Å; T563-K565 PolarHBondContact O-N 3.04Å; T563-F567 WeakPolarHBondContact O-CB 3.39Å; T563-F567 PolarHBondContact O-N 3.43Å; T563-F680 HydrophobicContact CG2-CD2 4.23Å; T563-F680 HydrophobicContact CG2-CE2 4.02Å; T563-F680 WeakPolarHBondContact OG1-CD2 3.02Å; T563-I739 HydrophobicContact CG2-CG2 3.39Å; T563-W740 HydrophobicContact CG2-CD2 3.67Å; T563-W740 VanDerWaalsContact CG2-CE2 3.47Å; T563-W740 HydrophobicContact CG2-CE3 3.75Å; T563-W740 HydrophobicContact CG2-CH2 3.64Å; T563-W740 HydrophobicContact CG2-CZ2 3.5Å; T563-W740 VanDerWaalsContact CG2-CZ2 3.5Å; T563-W740 HydrophobicContact CG2-CZ3 3.75Å; T563-I743 HydrophobicContact CG2-CD1 4.12Å
564	F	91.4	Very high	88.4	Confident	99 Å²	99	31.2 Å²	31.2	43%	0.434	16%	0.158	S	C	.	.	H	α-helix	trans	-62.8	-42.3	179.3	-178.4	-100.3	0	0	0	112.4	N560 F562 L568	N560-F564 PolarHBondContact O-N 2.87Å; F562-F564 PolarHBondContact O-N 2.93Å; F564-L568 HydrophobicContact CE1-CD2 4.42Å; F564-L568 WeakPolarHBondContact O-CB 3.39Å; F564-L568 PolarHBondContact O-N 3.01Å
565	K	92.1	Very high	88.6	Confident	9 Å²	9	30.9 Å²	30.9	4%	0.039	16%	0.155	C	C	.	.	H	α-helix	trans	-59.9	-54.8	176.7	-71.8	166.8	170.4	64.2	0	111.8	S475 I479 Y539 T547 E550 S561 F562 T563 L568 F569	S475-K565 WeakPolarHBondContact OG-CE 3.25Å; I479-K565 HydrophobicContact CD1-CD 4.41Å; I479-K565 HydrophobicContact CD1-CG 3.66Å; I479-K565 HydrophobicContact CG1-CG 4.13Å; Y539-K565 PolarHBondContact OH-O 2.96Å; T547-K565 VanDerWaalsContact OG1-CD 3.3Å; T547-K565 WeakPolarHBondContact OG1-CD 3.27Å; E550-K565 WeakPolarHBondContact OE1-CE 3.4Å; E550-K565 IonicContact OE1-NZ 2.6Å; E550-K565 PolarHBondContact OE1-NZ 3.41Å; E550-K565 IonicContact OE2-NZ 3.4Å; E550-K565 PolarHBondContact OE2-NZ 3.01Å; S561-K565 WeakPolarHBondContact O-CD 3.17Å; S561-K565 VanDerWaalsContact O-CG 3.27Å; S561-K565 WeakPolarHBondContact O-CG 3.4Å; S561-K565 PolarHBondContact O-N 3Å; S561-K565 PolarHBondContact OG-NZ 3.37Å; F562-K565 WeakPolarHBondContact O-CB 3.34Å; F562-K565 PolarHBondContact O-N 3.46Å; T563-K565 PolarHBondContact O-N 3.04Å; K565-L568 PolarHBondContact O-N 3.05Å; K565-F569 PolarHBondContact O-N 3.08Å; K565-F569 VanDerWaalsContact O-N 3.11Å
566	M	91	Very high	89	Confident	8 Å²	8	26.9 Å²	26.9	4%	0.039	14%	0.139	C	C	.	.	H	α-helix	trans	-65.6	-41.3	-178.3	-175.8	65.2	104.5	0	0	111.5	Y539 E540 F562 Q570 F680 L684	Y539-M566 HydrophobicContact CD1-SD 3.79Å; Y539-M566 HydrophobicContact CE1-SD 4.17Å; E540-M566 HydrophobicContact CB-CE 3.75Å; E540-M566 HydrophobicContact CG-CE 3.74Å; F562-M566 HydrophobicContact CZ-CE 4.21Å; F562-M566 WeakPolarHBondContact O-CB 3.49Å; F562-M566 PolarHBondContact O-N 3.38Å; M566-Q570 HydrophobicContact CG-CG 4.1Å; M566-Q570 VanDerWaalsContact O-CB 3.24Å; M566-Q570 WeakPolarHBondContact O-CB 3.3Å; M566-Q570 WeakPolarHBondContact O-CG 3.39Å; M566-Q570 PolarHBondContact O-N 2.91Å; M566-Q570 HydrophobicContact SD-CG 3.88Å; M566-F680 HydrophobicContact CB-CE1 4.2Å; M566-F680 HydrophobicContact CB-CE2 4.2Å; M566-F680 HydrophobicContact CB-CZ 3.55Å; M566-F680 HydrophobicContact CG-CE1 3.55Å; M566-F680 HydrophobicContact CG-CE2 4.34Å; M566-F680 HydrophobicContact CG-CZ 3.26Å; M566-L684 HydrophobicContact CG-CD2 4.49Å
567	F	92.8	Very high	89.2	Confident	18 Å²	18	25.3 Å²	25.3	8%	0.079	13%	0.127	C	C	.	.	H	α-helix	trans	-57.2	-51.4	172.5	169.9	-99.9	0	0	0	111.7	T563 F569 Q570 F571 L684 I687 L688 W740 I743 I747	T563-F567 WeakPolarHBondContact O-CB 3.39Å; T563-F567 PolarHBondContact O-N 3.43Å; F567-F569 VanDerWaalsContact C-N 3.34Å; F567-F569 PolarHBondContact O-N 3.43Å; F567-Q570 PolarHBondContact O-N 3.45Å; F567-F571 HydrophobicContact CE1-CB 4.27Å; F567-F571 HydrophobicContact CE1-CG 4.47Å; F567-F571 HydrophobicContact CE2-CB 4.16Å; F567-F571 HydrophobicContact CE2-CD2 4.07Å; F567-F571 HydrophobicContact CZ-CB 3.94Å; F567-F571 AromaticContact CZ-CD2 3.64Å; F567-F571 HydrophobicContact CZ-CD2 3.64Å; F567-F571 AromaticContact CZ-CG 3.98Å; F567-F571 HydrophobicContact CZ-CG 3.98Å; F567-F571 WeakPolarHBondContact O-CB 3.29Å; F567-F571 PolarHBondContact O-N 3.43Å; F567-L684 HydrophobicContact CD2-CD1 4.49Å; F567-I687 HydrophobicContact CD2-CG2 4.44Å; F567-I687 HydrophobicContact CE2-CG2 4.18Å; F567-L688 HydrophobicContact CE2-CD2 4.38Å; F567-W740 HydrophobicContact CB-CZ3 4.14Å; F567-W740 HydrophobicContact CD2-CZ3 4.28Å; F567-W740 HydrophobicContact CG-CZ3 4.46Å; F567-I743 HydrophobicContact CB-CD1 4.02Å; F567-I743 HydrophobicContact CD1-CD1 4.07Å; F567-I743 HydrophobicContact CD1-CG1 4.05Å; F567-I743 HydrophobicContact CD1-CG2 3.76Å; F567-I743 HydrophobicContact CD2-CG2 3.72Å; F567-I743 HydrophobicContact CE1-CG1 4.46Å; F567-I743 HydrophobicContact CE1-CG2 3.62Å; F567-I743 HydrophobicContact CE2-CG2 3.56Å; F567-I743 HydrophobicContact CG-CD1 3.98Å; F567-I743 HydrophobicContact CG-CG1 4.39Å; F567-I743 HydrophobicContact CG-CG2 3.83Å; F567-I743 HydrophobicContact CZ-CG2 3.52Å; F567-I747 HydrophobicContact CE2-CD1 3.97Å; F567-I747 HydrophobicContact CZ-CD1 3.86Å; F567-I747 HydrophobicContact CZ-CG1 4.08Å
568	L	91.9	Very high	89.3	Confident	54 Å²	54	21.9 Å²	21.9	28%	0.283	11%	0.112	S	C	.	.	H	α-helix	trans	-61.6	-42.6	-175.3	-175.8	63.8	0	0	0	111.8	I479 I483 F564 K565 V572	I479-L568 HydrophobicContact CG2-CD2 4.09Å; I483-L568 HydrophobicContact CD1-CD2 3.94Å; I483-L568 HydrophobicContact CD1-CG 4Å; F564-L568 HydrophobicContact CE1-CD2 4.42Å; F564-L568 WeakPolarHBondContact O-CB 3.39Å; F564-L568 PolarHBondContact O-N 3.01Å; K565-L568 PolarHBondContact O-N 3.05Å; L568-V572 WeakPolarHBondContact O-CG2 2.99Å; L568-V572 PolarHBondContact O-N 3.08Å
569	F	91.3	Very high	89.4	Confident	1 Å²	1	22.8 Å²	22.8	0%	0.004	12%	0.116	C	C	.	.	H	α-helix	trans	-64.6	-50.5	174.2	172.5	-92.2	0	0	0	112.4	M482 V486 L535 Y539 K565 F567 F571 V572 N573	M482-F569 HydrophobicContact CB-CD2 4.26Å; M482-F569 HydrophobicContact CB-CE2 4.42Å; M482-F569 HydrophobicContact CE-CE2 4.49Å; V486-F569 HydrophobicContact CG2-CD2 4.1Å; V486-F569 HydrophobicContact CG2-CE2 3.4Å; V486-F569 HydrophobicContact CG2-CZ 3.97Å; L535-F569 HydrophobicContact CB-CZ 4.17Å; Y539-F569 VanDerWaalsContact CB-CZ 3.46Å; Y539-F569 HydrophobicContact CD1-CB 3.67Å; Y539-F569 AromaticContact CD1-CD1 3.38Å; Y539-F569 HydrophobicContact CD1-CD1 3.38Å; Y539-F569 HydrophobicContact CD1-CD2 4.09Å; Y539-F569 HydrophobicContact CD1-CE1 4.03Å; Y539-F569 AromaticContact CD1-CG 3.42Å; Y539-F569 HydrophobicContact CD1-CG 3.42Å; Y539-F569 VanDerWaalsContact CD1-CG 3.42Å; Y539-F569 HydrophobicContact CD2-CB 4.09Å; Y539-F569 HydrophobicContact CD2-CD1 4.06Å; Y539-F569 AromaticContact CD2-CD2 3.27Å; Y539-F569 HydrophobicContact CD2-CD2 3.27Å; Y539-F569 HydrophobicContact CD2-CE1 4.36Å; Y539-F569 AromaticContact CD2-CE2 3.61Å; Y539-F569 HydrophobicContact CD2-CE2 3.61Å; Y539-F569 AromaticContact CD2-CG 3.52Å; Y539-F569 HydrophobicContact CD2-CG 3.52Å; Y539-F569 HydrophobicContact CD2-CZ 4.15Å; Y539-F569 HydrophobicContact CE1-CB 3.36Å; Y539-F569 HydrophobicContact CE1-CD1 4.03Å; Y539-F569 HydrophobicContact CE1-CD2 4.39Å; Y539-F569 AromaticContact CE1-CG 3.68Å; Y539-F569 HydrophobicContact CE1-CG 3.68Å; Y539-F569 HydrophobicContact CE2-CB 3.81Å; Y539-F569 AromaticContact CE2-CD2 3.63Å; Y539-F569 HydrophobicContact CE2-CD2 3.63Å; Y539-F569 HydrophobicContact CE2-CE2 4.38Å; Y539-F569 AromaticContact CE2-CG 3.76Å; Y539-F569 HydrophobicContact CE2-CG 3.76Å; Y539-F569 HydrophobicContact CG-CB 4.03Å; Y539-F569 AromaticContact CG-CD1 3.4Å; Y539-F569 HydrophobicContact CG-CD1 3.4Å; Y539-F569 VanDerWaalsContact CG-CD1 3.4Å; Y539-F569 AromaticContact CG-CD2 3.54Å; Y539-F569 HydrophobicContact CG-CD2 3.54Å; Y539-F569 AromaticContact CG-CE1 3.66Å; Y539-F569 HydrophobicContact CG-CE1 3.66Å; Y539-F569 AromaticContact CG-CE2 3.76Å; Y539-F569 HydrophobicContact CG-CE2 3.76Å; Y539-F569 AromaticContact CG-CG 3.35Å; Y539-F569 HydrophobicContact CG-CG 3.35Å; Y539-F569 AromaticContact CG-CZ 3.83Å; Y539-F569 HydrophobicContact CG-CZ 3.83Å; Y539-F569 VanDerWaalsContact CZ-CB 3.44Å; Y539-F569 AromaticContact CZ-CG 3.84Å; K565-F569 PolarHBondContact O-N 3.08Å; K565-F569 VanDerWaalsContact O-N 3.11Å; F567-F569 VanDerWaalsContact C-N 3.34Å; F567-F569 PolarHBondContact O-N 3.43Å; F569-F571 VanDerWaalsContact C-N 3.27Å; F569-F571 PolarHBondContact O-N 2.85Å; F569-V572 PolarHBondContact O-N 3.39Å; F569-N573 HydrophobicContact CE1-CB 4.15Å; F569-N573 HydrophobicContact CZ-CB 4.26Å; F569-N573 WeakPolarHBondContact O-CB 3.28Å; F569-N573 PolarHBondContact O-N 3.35Å
570	Q	89.8	Confident	89.5	Confident	16 Å²	16	22.3 Å²	22.3	8%	0.075	11%	0.113	C	C	.	.	H	α-helix	trans	-61.3	-37.9	-179.3	-71.2	-75.7	-13.9	0	0	111.6	N536 M566 F567 L574 L684 L688	N536-Q570 VanDerWaalsContact CG-NE2 3.32Å; N536-Q570 PolarHBondContact ND2-OE1 3.03Å; N536-Q570 PolarHBondContact OD1-NE2 3.42Å; N536-Q570 VanDerWaalsContact OD1-NE2 3.16Å; N536-Q570 PolarHBondContact OD1-OE1 3.31Å; M566-Q570 HydrophobicContact CG-CG 4.1Å; M566-Q570 VanDerWaalsContact O-CB 3.24Å; M566-Q570 WeakPolarHBondContact O-CB 3.3Å; M566-Q570 WeakPolarHBondContact O-CG 3.39Å; M566-Q570 PolarHBondContact O-N 2.91Å; M566-Q570 HydrophobicContact SD-CG 3.88Å; F567-Q570 PolarHBondContact O-N 3.45Å; Q570-L574 WeakPolarHBondContact O-CB 3.43Å; Q570-L574 PolarHBondContact O-N 3.5Å; Q570-L684 HydrophobicContact CB-CD1 4.25Å; Q570-L684 HydrophobicContact CG-CD1 4.4Å; Q570-L684 HydrophobicContact CG-CD2 4.03Å; Q570-L688 HydrophobicContact CB-CD1 4.28Å
571	F	90.7	Very high	89.3	Confident	22 Å²	22	20.6 Å²	20.6	10%	0.096	10%	0.103	C	C	.	.	H	α-helix	trans	-60.7	-48	175.5	-178.4	-88.8	0	0	0	111.6	F567 F569 N575 F579 I695 L750	F567-F571 HydrophobicContact CE1-CB 4.27Å; F567-F571 HydrophobicContact CE1-CG 4.47Å; F567-F571 HydrophobicContact CE2-CB 4.16Å; F567-F571 HydrophobicContact CE2-CD2 4.07Å; F567-F571 HydrophobicContact CZ-CB 3.94Å; F567-F571 AromaticContact CZ-CD2 3.64Å; F567-F571 HydrophobicContact CZ-CD2 3.64Å; F567-F571 AromaticContact CZ-CG 3.98Å; F567-F571 HydrophobicContact CZ-CG 3.98Å; F567-F571 WeakPolarHBondContact O-CB 3.29Å; F567-F571 PolarHBondContact O-N 3.43Å; F569-F571 VanDerWaalsContact C-N 3.27Å; F569-F571 PolarHBondContact O-N 2.85Å; F571-N575 VanDerWaalsContact CD2-ND2 3.3Å; F571-N575 WeakPolarHBondContact CD2-ND2 3.44Å; F571-N575 WeakPolarHBondContact CE2-ND2 3.29Å; F571-N575 VanDerWaalsContact O-CB 3.3Å; F571-N575 WeakPolarHBondContact O-CB 3.39Å; F571-N575 PolarHBondContact O-N 3.05Å; F571-N575 PolarHBondContact O-ND2 3.27Å; F571-F579 HydrophobicContact CE1-CE2 4.08Å; F571-F579 HydrophobicContact CZ-CE2 4.18Å; F571-F579 HydrophobicContact CZ-CZ 4.36Å; F571-I695 HydrophobicContact CE2-CD1 3.51Å; F571-I695 HydrophobicContact CZ-CD1 3.72Å; F571-L750 HydrophobicContact CE1-CD2 3.92Å; F571-L750 HydrophobicContact CE2-CD2 4.41Å; F571-L750 HydrophobicContact CZ-CD2 3.47Å; F571-L750 VanDerWaalsContact CZ-CD2 3.47Å
572	V	90.5	Very high	89.3	Confident	29 Å²	29	19.5 Å²	19.5	18%	0.176	10%	0.096	C	C	.	.	H	α-helix	trans	-69.7	-47.5	177.6	-179.4	0	0	0	0	110.8	I483 V486 L568 F569 L574 N575 S576	I483-V572 HydrophobicContact CG2-CG1 4.38Å; V486-V572 HydrophobicContact CG1-CG1 3.92Å; L568-V572 WeakPolarHBondContact O-CG2 2.99Å; L568-V572 PolarHBondContact O-N 3.08Å; F569-V572 PolarHBondContact O-N 3.39Å; V572-L574 PolarHBondContact O-N 2.88Å; V572-N575 PolarHBondContact O-N 2.76Å; V572-S576 WeakPolarHBondContact O-CB 3.35Å; V572-S576 PolarHBondContact O-N 3.38Å; V572-S576 PolarHBondContact O-OG 3.27Å
573	N	86.9	Confident	89.2	Confident	7 Å²	7	21.5 Å²	21.5	4%	0.037	11%	0.105	C	C	.	.	H	α-helix	trans	-57.1	-35.3	-179.8	-162.8	28.3	0	0	0	112.4	V486 I532 N536 F569	V486-N573 HydrophobicContact CG1-CB 4.23Å; V486-N573 HydrophobicContact CG2-CB 4.21Å; I532-N573 PolarHBondContact O-ND2 3.03Å; N536-N573 PolarHBondContact OD1-ND2 3.47Å; F569-N573 HydrophobicContact CE1-CB 4.15Å; F569-N573 HydrophobicContact CZ-CB 4.26Å; F569-N573 WeakPolarHBondContact O-CB 3.28Å; F569-N573 PolarHBondContact O-N 3.35Å
574	L	85.1	Confident	89	Confident	7 Å²	7	26.4 Å²	26.4	4%	0.037	13%	0.125	C	C	.	.	H	α-helix	trans	-84	-48.3	-179.7	-169.6	62.9	0	0	0	113.5	Q570 V572 I623 K627 L688 F692	Q570-L574 WeakPolarHBondContact O-CB 3.43Å; Q570-L574 PolarHBondContact O-N 3.5Å; V572-L574 PolarHBondContact O-N 2.88Å; L574-I623 HydrophobicContact CD1-CG2 4.21Å; L574-K627 HydrophobicContact CD1-CD 3.91Å; L574-K627 VanDerWaalsContact CD2-NZ 3.3Å; L574-L688 HydrophobicContact CD2-CB 4.16Å; L574-L688 HydrophobicContact CD2-CD1 4.14Å; L574-L688 HydrophobicContact CD2-CD2 4.05Å; L574-L688 HydrophobicContact CD2-CG 4.35Å; L574-F692 HydrophobicContact CD1-CZ 3.9Å; L574-F692 HydrophobicContact CD2-CE1 4.18Å; L574-F692 HydrophobicContact CD2-CE2 3.75Å; L574-F692 HydrophobicContact CD2-CZ 3.35Å; L574-F692 HydrophobicContact CG-CE1 4.14Å; L574-F692 HydrophobicContact CG-CE2 4.35Å; L574-F692 HydrophobicContact CG-CZ 3.49Å; L574-F692 VanDerWaalsContact CG-CZ 3.49Å
575	N	87.4	Confident	88.6	Confident	2 Å²	2	22.1 Å²	22.1	1%	0.011	11%	0.107	C	C	.	.	H	α-helix	trans	-92	-17.2	-170.2	-64.5	-50.6	0	0	0	114.4	F571 V572 S577 T578 F579 F692 F696	F571-N575 VanDerWaalsContact CD2-ND2 3.3Å; F571-N575 WeakPolarHBondContact CD2-ND2 3.44Å; F571-N575 WeakPolarHBondContact CE2-ND2 3.29Å; F571-N575 VanDerWaalsContact O-CB 3.3Å; F571-N575 WeakPolarHBondContact O-CB 3.39Å; F571-N575 PolarHBondContact O-N 3.05Å; F571-N575 PolarHBondContact O-ND2 3.27Å; V572-N575 PolarHBondContact O-N 2.76Å; N575-S577 VanDerWaalsContact C-N 3.34Å; N575-S577 PolarHBondContact O-N 2.63Å; N575-T578 CarbonylContact O-C 3.53Å; N575-T578 WeakPolarHBondContact O-CA 3.41Å; N575-T578 VanDerWaalsContact O-CB 3.31Å; N575-T578 WeakPolarHBondContact O-CB 3.41Å; N575-T578 PolarHBondContact O-N 2.68Å; N575-F579 HydrophobicContact CB-CD2 3.85Å; N575-F579 HydrophobicContact CB-CE2 3.62Å; N575-F579 WeakPolarHBondContact O-CD2 3.45Å; N575-F579 PolarHBondContact O-N 2.71Å; N575-F692 VanDerWaalsContact OD1-CE1 3.31Å; N575-F692 WeakPolarHBondContact OD1-CE1 3.33Å; N575-F696 HydrophobicContact CB-CE2 4.49Å
576	S	87.9	Confident	87.9	Confident	17 Å²	17	22.9 Å²	22.9	12%	0.119	12%	0.117	C	C	.	.	H	α-helix	trans	-56.7	-43.5	-179	49.8	0	0	0	0	113.2	V490 V572 T578 F579 Y580	V490-S576 VanDerWaalsContact CG2-OG 3.3Å; V490-S576 WeakPolarHBondContact CG2-OG 3.4Å; V572-S576 WeakPolarHBondContact O-CB 3.35Å; V572-S576 PolarHBondContact O-N 3.38Å; V572-S576 PolarHBondContact O-OG 3.27Å; S576-T578 PolarHBondContact O-N 3.12Å; S576-F579 PolarHBondContact O-N 3.22Å; S576-Y580 PolarHBondContact O-N 3.38Å
577	S	84.1	Confident	87.5	Confident	12 Å²	12	27.7 Å²	27.7	8%	0.084	14%	0.135	C	C	.	.	H	α-helix	trans	-62.9	-30.7	174.7	69.5	0	0	0	0	112.7	N575 I581 Q619	N575-S577 VanDerWaalsContact C-N 3.34Å; N575-S577 PolarHBondContact O-N 2.63Å; S577-I581 PolarHBondContact O-N 2.77Å; S577-Q619 PolarHBondContact O-NE2 2.91Å; S577-Q619 PolarHBondContact OG-NE2 3.37Å; S577-Q619 VanDerWaalsContact OG-NE2 3.13Å
578	T	86.6	Confident	87	Confident	1 Å²	1	32.5 Å²	32.5	1%	0.006	16%	0.156	C	C	.	.	H	α-helix	trans	-76.7	-42.8	177	-41.6	0	0	0	0	111.5	N575 S576 Y580 I581 A582 L616 M620 F696	N575-T578 CarbonylContact O-C 3.53Å; N575-T578 WeakPolarHBondContact O-CA 3.41Å; N575-T578 VanDerWaalsContact O-CB 3.31Å; N575-T578 WeakPolarHBondContact O-CB 3.41Å; N575-T578 PolarHBondContact O-N 2.68Å; S576-T578 PolarHBondContact O-N 3.12Å; T578-Y580 VanDerWaalsContact C-N 3.31Å; T578-Y580 PolarHBondContact O-N 3.15Å; T578-I581 PolarHBondContact O-N 2.95Å; T578-A582 WeakPolarHBondContact O-CB 3.37Å; T578-A582 PolarHBondContact O-N 3.03Å; T578-L616 HydrophobicContact CG2-CD1 3.41Å; T578-L616 VanDerWaalsContact CG2-CD1 3.41Å; T578-M620 HydrophobicContact CG2-CG 4.2Å; T578-F696 HydrophobicContact CG2-CD1 4.21Å; T578-F696 HydrophobicContact CG2-CD2 3.97Å; T578-F696 HydrophobicContact CG2-CE1 3.92Å; T578-F696 HydrophobicContact CG2-CE2 3.67Å; T578-F696 HydrophobicContact CG2-CG 4.24Å; T578-F696 HydrophobicContact CG2-CZ 3.64Å
579	F	90.5	Very high	86.2	Confident	40 Å²	40	30.7 Å²	30.7	18%	0.175	15%	0.147	C	C	.	.	H	α-helix	trans	-62.8	-35.4	173.7	-75.5	-61.7	0	0	0	112.4	F571 N575 S576 F583 I695 F696 T754	F571-F579 HydrophobicContact CE1-CE2 4.08Å; F571-F579 HydrophobicContact CZ-CE2 4.18Å; F571-F579 HydrophobicContact CZ-CZ 4.36Å; N575-F579 HydrophobicContact CB-CD2 3.85Å; N575-F579 HydrophobicContact CB-CE2 3.62Å; N575-F579 WeakPolarHBondContact O-CD2 3.45Å; N575-F579 PolarHBondContact O-N 2.71Å; S576-F579 PolarHBondContact O-N 3.22Å; F579-F583 HydrophobicContact CD1-CD2 4.13Å; F579-F583 AromaticContact CD1-CE2 3.76Å; F579-F583 HydrophobicContact CD1-CE2 3.76Å; F579-F583 HydrophobicContact CE1-CE2 4.23Å; F579-F583 PolarHBondContact O-N 3.46Å; F579-F583 VanDerWaalsContact O-N 3.09Å; F579-I695 HydrophobicContact CE1-CG2 4.32Å; F579-I695 HydrophobicContact CZ-CG2 4.1Å; F579-F696 AromaticContact CD1-CE1 3.84Å; F579-F696 HydrophobicContact CD1-CE1 3.84Å; F579-F696 AromaticContact CD1-CZ 3.68Å; F579-F696 HydrophobicContact CD1-CZ 3.68Å; F579-F696 HydrophobicContact CD2-CZ 4.25Å; F579-F696 AromaticContact CE1-CE1 3.9Å; F579-F696 HydrophobicContact CE1-CE1 3.9Å; F579-F696 AromaticContact CE1-CZ 3.62Å; F579-F696 HydrophobicContact CE1-CZ 3.62Å; F579-F696 HydrophobicContact CE2-CZ 4.19Å; F579-F696 HydrophobicContact CG-CE1 4.48Å; F579-F696 HydrophobicContact CG-CZ 4Å; F579-F696 AromaticContact CZ-CZ 3.88Å; F579-F696 HydrophobicContact CZ-CZ 3.88Å; F579-T754 HydrophobicContact CD1-CG2 4.5Å; F579-T754 HydrophobicContact CE1-CG2 3.76Å
580	Y	87.9	Confident	85.8	Confident	43 Å²	43	32 Å²	32	17%	0.169	16%	0.161	C	C	.	.	H	α-helix	trans	-60.4	-51.3	173.2	177.3	-98.5	0	0	0	111.7	V494 S576 T578 A582 F583 F584 L585	V494-Y580 HydrophobicContact CG1-CE1 4.22Å; V494-Y580 HydrophobicContact CG1-CE2 4.44Å; V494-Y580 WeakPolarHBondContact CG1-OH 3.46Å; V494-Y580 HydrophobicContact CG2-CD1 3.77Å; V494-Y580 HydrophobicContact CG2-CD2 4.26Å; V494-Y580 HydrophobicContact CG2-CE1 3.45Å; V494-Y580 VanDerWaalsContact CG2-CE1 3.45Å; V494-Y580 HydrophobicContact CG2-CE2 3.99Å; V494-Y580 HydrophobicContact CG2-CG 4.18Å; S576-Y580 PolarHBondContact O-N 3.38Å; T578-Y580 VanDerWaalsContact C-N 3.31Å; T578-Y580 PolarHBondContact O-N 3.15Å; Y580-A582 VanDerWaalsContact C-N 3.35Å; Y580-A582 PolarHBondContact O-N 3.38Å; Y580-F583 PolarHBondContact O-N 2.94Å; Y580-F584 HydrophobicContact CD2-CB 3.69Å; Y580-F584 HydrophobicContact CD2-CG 4.42Å; Y580-F584 HydrophobicContact CE2-CB 3.75Å; Y580-F584 PolarHBondContact O-N 2.79Å; Y580-L585 HydrophobicContact CE1-CB 4.33Å; Y580-L585 HydrophobicContact CE1-CD1 4.18Å; Y580-L585 PolarHBondContact O-N 2.55Å
581	I	85.1	Confident	85.6	Confident	9 Å²	9	34.9 Å²	34.9	5%	0.046	17%	0.171	C	C	.	.	H	α-helix	trans	-67.7	-33.9	-179.5	-68.5	-169.2	0	0	0	111.9	S577 T578 L585 D615 L616	S577-I581 PolarHBondContact O-N 2.77Å; T578-I581 PolarHBondContact O-N 2.95Å; I581-L585 HydrophobicContact CB-CD2 4.42Å; I581-L585 HydrophobicContact CG1-CD2 4.29Å; I581-L585 HydrophobicContact CG2-CD2 3.99Å; I581-D615 HydrophobicContact CG2-CB 3.88Å; I581-L616 HydrophobicContact CG2-CB 4.14Å
582	A	88.8	Confident	85.2	Confident	5 Å²	5	34 Å²	34	4%	0.041	17%	0.168	C	C	.	.	H	α-helix	trans	-68.1	-42.5	176.6	0	0	0	0	0	113.9	T578 Y580 L616 F696 T762	T578-A582 WeakPolarHBondContact O-CB 3.37Å; T578-A582 PolarHBondContact O-N 3.03Å; Y580-A582 VanDerWaalsContact C-N 3.35Å; Y580-A582 PolarHBondContact O-N 3.38Å; A582-L616 HydrophobicContact CB-CD1 4.23Å; A582-L616 HydrophobicContact CB-CD2 3.99Å; A582-F696 HydrophobicContact CB-CE1 4.38Å; A582-T762 WeakPolarHBondContact O-CG2 3.39Å; A582-T762 PolarHBondContact O-OG1 3.49Å
583	F	89.7	Confident	84.7	Confident	44 Å²	44	33.8 Å²	33.8	19%	0.193	17%	0.171	C	C	.	.	H	α-helix	trans	-123.3	-18.8	-163	-57.9	-36.2	0	0	0	116.5	F579 Y580 T754 F757 V758	F579-F583 HydrophobicContact CD1-CD2 4.13Å; F579-F583 AromaticContact CD1-CE2 3.76Å; F579-F583 HydrophobicContact CD1-CE2 3.76Å; F579-F583 HydrophobicContact CE1-CE2 4.23Å; F579-F583 PolarHBondContact O-N 3.46Å; F579-F583 VanDerWaalsContact O-N 3.09Å; Y580-F583 PolarHBondContact O-N 2.94Å; F583-T754 HydrophobicContact CE2-CG2 4.16Å; F583-T754 HydrophobicContact CZ-CG2 3.84Å; F583-F757 HydrophobicContact CD1-CB 4.37Å; F583-F757 HydrophobicContact CE1-CB 3.54Å; F583-F757 HydrophobicContact CE2-CB 4.46Å; F583-F757 HydrophobicContact CZ-CB 3.58Å; F583-V758 HydrophobicContact CE1-CG2 3.8Å; F583-V758 HydrophobicContact CZ-CG2 3.94Å
584	F	87.2	Confident	84.5	Confident	112 Å²	112	35.9 Å²	35.9	49%	0.491	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-116.6	-31.7	-173.6	-65.2	-90.5	0	0	0	113.6	Y580 R587 F588	Y580-F584 HydrophobicContact CD2-CB 3.69Å; Y580-F584 HydrophobicContact CD2-CG 4.42Å; Y580-F584 HydrophobicContact CE2-CB 3.75Å; Y580-F584 PolarHBondContact O-N 2.79Å; F584-R587 PolarHBondContact O-N 2.96Å; F584-F588 AromaticContact CD1-CE2 3.94Å; F584-F588 HydrophobicContact CD1-CE2 3.94Å
585	L	83.7	Confident	84.4	Confident	9 Å²	9	36.6 Å²	36.6	5%	0.047	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.4	136	175.9	-175.9	67.8	0	0	0	111.4	Y580 I581 R587 E605	Y580-L585 HydrophobicContact CE1-CB 4.33Å; Y580-L585 HydrophobicContact CE1-CD1 4.18Å; Y580-L585 PolarHBondContact O-N 2.55Å; I581-L585 HydrophobicContact CB-CD2 4.42Å; I581-L585 HydrophobicContact CG1-CD2 4.29Å; I581-L585 HydrophobicContact CG2-CD2 3.99Å; L585-R587 PolarHBondContact O-N 3.4Å; L585-E605 HydrophobicContact CD1-CB 3.72Å; L585-E605 HydrophobicContact CD1-CG 3.68Å
586	G	77.5	Confident	84	Confident	25 Å²	25	41.4 Å²	41.4	26%	0.258	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.9	-2.4	177.6	0	0	0	0	0	117.4	T589 E605	G586-T589 PolarHBondContact O-OG1 3.01Å; G586-E605 WeakPolarHBondContact CA-O 3.35Å; G586-E605 PolarHBondContact N-O 3.16Å; G586-E605 VanDerWaalsContact N-O 3.1Å
587	R	82.9	Confident	83.4	Confident	108 Å²	108	42.3 Å²	42.3	41%	0.408	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93	-23	-172.4	-160.8	67.6	-171.1	131	4.4	114.4	F584 L585	F584-R587 PolarHBondContact O-N 2.96Å; L585-R587 PolarHBondContact O-N 3.4Å
588	F	81.8	Confident	83	Confident	119 Å²	119	44 Å²	44	52%	0.522	23%	0.226	S	C	.	.	S	Bend	trans	-117.6	28.9	-176.1	-62.9	-80	0	0	0	113.1	F584 L596 L604	F584-F588 AromaticContact CD1-CE2 3.94Å; F584-F588 HydrophobicContact CD1-CE2 3.94Å; F588-L596 WeakPolarHBondContact O-CB 3.29Å; F588-L596 VanDerWaalsContact O-CD1 3.25Å; F588-L596 WeakPolarHBondContact O-CD1 3.3Å; F588-L604 HydrophobicContact CB-CD2 4.35Å
589	T	75.3	Confident	82.4	Confident	16 Å²	16	50.7 Å²	50.7	10%	0.098	26%	0.26	C	S	.	.			trans	-85.9	-26	-172.7	49.8	0	0	0	0	113.6	G586 Y595 L596 L604 E606	G586-T589 PolarHBondContact O-OG1 3.01Å; T589-Y595 WeakPolarHBondContact O-CA 3.4Å; T589-L596 PolarHBondContact O-N 3.18Å; T589-L604 HydrophobicContact CG2-CB 4.01Å; T589-E606 HydrophobicContact CG2-CG 3.54Å
590	G	82.6	Confident	81.6	Confident	28 Å²	28	55.3 Å²	55.3	29%	0.289	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	98.9	-131.9	178.5	0	0	0	0	0	112.1
591	R	85.3	Confident	80.8	Confident	77 Å²	77	62.5 Å²	62.5	29%	0.291	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	158.3	172.8	60.4	171.4	172.5	116.4	-9.8	111	G593 A594 Y595 Y828	R591-G593 PolarHBondContact O-N 3.32Å; R591-A594 HydrophobicContact CG-CB 4Å; R591-A594 PolarHBondContact N-O 3.31Å; R591-A594 CarbonylContact O-C 3.45Å; R591-A594 WeakPolarHBondContact O-CA 3.31Å; R591-A594 PolarHBondContact O-N 3.17Å; R591-Y595 WeakPolarHBondContact O-CD1 3.34Å; R591-Y595 PolarHBondContact O-N 3.22Å; R591-Y828 HydrophobicContact CB-CE2 4.35Å
592	P	82.6	Confident	80.3	Confident	5 Å²	5	66.7 Å²	66.7	3%	0.032	33%	0.329	C	S	.	.	T	Hydrogen-bonded Turn	trans	-48.4	137.7	162.6	-27.2	36.8	0	0	0	111.3	A594 Y595 F800 F805 Y828	P592-A594 PolarHBondContact O-N 3.25Å; P592-Y595 HydrophobicContact CG-CE1 4.46Å; P592-F800 HydrophobicContact CB-CB 4.49Å; P592-F800 HydrophobicContact CB-CD1 3.71Å; P592-F800 HydrophobicContact CB-CD2 3.69Å; P592-F800 HydrophobicContact CB-CE1 3.72Å; P592-F800 HydrophobicContact CB-CE2 3.71Å; P592-F800 HydrophobicContact CB-CG 3.69Å; P592-F800 HydrophobicContact CB-CZ 3.71Å; P592-F800 HydrophobicContact CG-CG 4.4Å; P592-F800 WeakPolarHBondContact O-CE2 3.27Å; P592-F805 HydrophobicContact CB-CE1 3.96Å; P592-F805 HydrophobicContact CB-CZ 4.5Å; P592-Y828 HydrophobicContact CG-CD1 4Å; P592-Y828 HydrophobicContact CG-CD2 3.99Å; P592-Y828 HydrophobicContact CG-CE1 4.39Å; P592-Y828 HydrophobicContact CG-CE2 4.35Å; P592-Y828 HydrophobicContact CG-CG 3.78Å
593	G	79.4	Confident	79.7	Confident	24 Å²	24	67.2 Å²	67.2	25%	0.247	33%	0.33	C	S	.	.	T	Hydrogen-bonded Turn	trans	81	-22	-170.6	0	0	0	0	0	115.6	R591 D804	R591-G593 PolarHBondContact O-N 3.32Å; G593-D804 WeakPolarHBondContact CA-O 3.27Å
594	A	83	Confident	79	Confident	50 Å²	50	67.2 Å²	67.2	41%	0.413	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	72	179.3	0	0	0	0	0	111.8	R591 P592	R591-A594 HydrophobicContact CG-CB 4Å; R591-A594 PolarHBondContact N-O 3.31Å; R591-A594 CarbonylContact O-C 3.45Å; R591-A594 WeakPolarHBondContact O-CA 3.31Å; R591-A594 PolarHBondContact O-N 3.17Å; P592-A594 PolarHBondContact O-N 3.25Å
595	Y	82.2	Confident	78.3	Confident	23 Å²	23	63.6 Å²	63.6	9%	0.09	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	141.4	177.5	-63.2	-60.3	0	0	0	112.4	T589 R591 P592 R597 K603 E606	T589-Y595 WeakPolarHBondContact O-CA 3.4Å; R591-Y595 WeakPolarHBondContact O-CD1 3.34Å; R591-Y595 PolarHBondContact O-N 3.22Å; P592-Y595 HydrophobicContact CG-CE1 4.46Å; Y595-R597 PolarHBondContact O-N 2.96Å; Y595-K603 HydrophobicContact CD1-CD 4.5Å; Y595-K603 HydrophobicContact CD2-CD 4.26Å; Y595-K603 VanDerWaalsContact CE1-CE 3.4Å; Y595-K603 HydrophobicContact CE2-CD 4.34Å; Y595-K603 HydrophobicContact CG-CD 4.34Å; Y595-K603 HydrophobicContact CG-CG 4.3Å; Y595-K603 PolarHBondContact OH-NZ 3.42Å; Y595-E606 VanDerWaalsContact CE1-OE1 3.28Å; Y595-E606 WeakPolarHBondContact CE1-OE1 3.29Å
596	L	79.9	Confident	78	Confident	103 Å²	103	65.1 Å²	65.1	54%	0.539	32%	0.323	S	S	.	.			trans	-72	116.3	166.8	-84.3	144.5	0	0	0	109.1	F588 T589 L604	F588-L596 WeakPolarHBondContact O-CB 3.29Å; F588-L596 VanDerWaalsContact O-CD1 3.25Å; F588-L596 WeakPolarHBondContact O-CD1 3.3Å; T589-L596 PolarHBondContact O-N 3.18Å; L596-L604 WeakPolarHBondContact O-CD1 3.39Å
597	R	76.1	Confident	78	Confident	35 Å²	35	65.1 Å²	65.1	13%	0.132	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	126.3	-179.3	-65.4	-174.2	-174.5	-82.6	-5	111.4	D371 Y595 I599 N600 W602 E806 S809	D371-R597 IonicContact OD2-CZ 2.85Å; D371-R597 IonicContact OD2-NH1 3.95Å; D371-R597 PolarHBondContact OD2-NH1 2.94Å; D371-R597 IonicContact OD2-NH2 2.71Å; Y595-R597 PolarHBondContact O-N 2.96Å; R597-I599 PolarHBondContact O-N 3.26Å; R597-N600 PolarHBondContact O-N 3.12Å; R597-W602 CarbonylContact C-O 3.49Å; R597-W602 VanDerWaalsContact CA-O 3.27Å; R597-W602 WeakPolarHBondContact CA-O 3.44Å; R597-E806 IonicContact CZ-OE2 3.35Å; R597-E806 IonicContact NE-OE2 3.97Å; R597-E806 PolarHBondContact NE-OE2 3.4Å; R597-E806 IonicContact NH2-OE2 3.48Å; R597-E806 PolarHBondContact NH2-OE2 2.95Å; R597-S809 PolarHBondContact NH2-OG 3.38Å
598	L	73.9	Confident	77.6	Confident	48 Å²	48	60.9 Å²	60.9	25%	0.251	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.3	123.4	173.3	-155.3	75.8	0	0	0	110.1	F491 I495 N600 R601 W602 L604	F491-L598 HydrophobicContact CE2-CD1 4.23Å; F491-L598 HydrophobicContact CE2-CD2 4.29Å; F491-L598 HydrophobicContact CZ-CD1 3.99Å; F491-L598 HydrophobicContact CZ-CD2 3.83Å; F491-L598 HydrophobicContact CZ-CG 4.39Å; I495-L598 HydrophobicContact CD1-CD2 3.98Å; I495-L598 HydrophobicContact CG1-CD2 3.7Å; L598-N600 PolarHBondContact O-N 3.37Å; L598-N600 VanDerWaalsContact O-N 3.15Å; L598-R601 PolarHBondContact O-N 3.36Å; L598-W602 PolarHBondContact N-O 2.65Å; L598-W602 PolarHBondContact O-N 3.37Å; L598-L604 HydrophobicContact CB-CD1 3.91Å; L598-L604 HydrophobicContact CD1-CD1 4.27Å
599	I	74.7	Confident	77.1	Confident	142 Å²	142	56.4 Å²	56.4	73%	0.728	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.9	37.3	-176.8	-44.8	169.1	0	0	0	110.9	R597 R601	R597-I599 PolarHBondContact O-N 3.26Å; I599-R601 PolarHBondContact O-N 2.92Å
600	N	73.8	Confident	76.8	Confident	137 Å²	137	56.1 Å²	56.1	73%	0.733	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.3	15.5	-177	-65.7	-14.6	0	0	0	115.9	R597 L598	R597-N600 PolarHBondContact O-N 3.12Å; L598-N600 PolarHBondContact O-N 3.37Å; L598-N600 VanDerWaalsContact O-N 3.15Å
601	R	71.6	Confident	76.6	Confident	193 Å²	193	55 Å²	55	73%	0.728	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-116.3	-54.9	-178.6	-73.1	-174.8	176.1	-163	-1.2	112.8	L598 I599	L598-R601 PolarHBondContact O-N 3.36Å; I599-R601 PolarHBondContact O-N 2.92Å
602	W	73.6	Confident	76.5	Confident	98 Å²	98	52.6 Å²	52.6	37%	0.371	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	131	-165.5	-52	103.2	0	0	0	112.2	V498 I499 R597 L598	V498-W602 HydrophobicContact CG1-CB 3.79Å; I499-W602 HydrophobicContact CD1-CH2 4.46Å; I499-W602 HydrophobicContact CD1-CZ2 4.15Å; I499-W602 HydrophobicContact CG1-CD2 4.14Å; I499-W602 HydrophobicContact CG1-CE3 4.04Å; I499-W602 HydrophobicContact CG1-CH2 3.92Å; I499-W602 HydrophobicContact CG1-CZ2 3.99Å; I499-W602 HydrophobicContact CG1-CZ3 3.94Å; R597-W602 CarbonylContact C-O 3.49Å; R597-W602 VanDerWaalsContact CA-O 3.27Å; R597-W602 WeakPolarHBondContact CA-O 3.44Å; L598-W602 PolarHBondContact N-O 2.65Å; L598-W602 PolarHBondContact O-N 3.37Å
603	K	75.9	Confident	76.6	Confident	16 Å²	16	52.6 Å²	52.6	7%	0.07	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.2	139.3	173.2	-169.4	-169.9	174.8	-170.4	0	109.9	I369 V498 Y595 E606	I369-K603 PolarHBondContact O-NZ 2.94Å; V498-K603 WeakPolarHBondContact CG1-O 3.19Å; Y595-K603 HydrophobicContact CD1-CD 4.5Å; Y595-K603 HydrophobicContact CD2-CD 4.26Å; Y595-K603 VanDerWaalsContact CE1-CE 3.4Å; Y595-K603 HydrophobicContact CE2-CD 4.34Å; Y595-K603 HydrophobicContact CG-CD 4.34Å; Y595-K603 HydrophobicContact CG-CG 4.3Å; Y595-K603 PolarHBondContact OH-NZ 3.42Å; K603-E606 VanDerWaalsContact CE-CD 3.48Å; K603-E606 WeakPolarHBondContact CE-OE1 3.05Å; K603-E606 IonicContact NZ-OE1 3.8Å; K603-E606 PolarHBondContact NZ-OE1 2.74Å; K603-E606 IonicContact NZ-OE2 2.86Å; K603-E606 PolarHBondContact NZ-OE2 3.34Å
604	L	75.8	Confident	76.8	Confident	44 Å²	44	51.7 Å²	51.7	23%	0.23	26%	0.258	C	S	.	.	P	Polyproline II helix	trans	-70.7	153.8	172.6	-90.9	69.8	0	0	0	111.8	F588 T589 L596 L598 E606	F588-L604 HydrophobicContact CB-CD2 4.35Å; T589-L604 HydrophobicContact CG2-CB 4.01Å; L596-L604 WeakPolarHBondContact O-CD1 3.39Å; L598-L604 HydrophobicContact CB-CD1 3.91Å; L598-L604 HydrophobicContact CD1-CD1 4.27Å; L604-E606 PolarHBondContact O-N 3.49Å
605	E	73.2	Confident	76.7	Confident	36 Å²	36	51 Å²	51	17%	0.168	25%	0.247	C	C	.	.	P	Polyproline II helix	trans	-70.1	123.7	-179.3	-162.4	176.9	171.2	0	0	111.1	R497 V498 L585 G586	R497-E605 WeakPolarHBondContact CD-OE2 3.35Å; R497-E605 IonicContact CZ-OE1 3.62Å; R497-E605 IonicContact NH1-OE1 3.13Å; R497-E605 PolarHBondContact NH1-OE1 3.11Å; R497-E605 IonicContact NH1-OE2 3.18Å; V498-E605 HydrophobicContact CG2-CB 4.32Å; L585-E605 HydrophobicContact CD1-CB 3.72Å; L585-E605 HydrophobicContact CD1-CG 3.68Å; G586-E605 WeakPolarHBondContact CA-O 3.35Å; G586-E605 PolarHBondContact N-O 3.16Å; G586-E605 VanDerWaalsContact N-O 3.1Å
606	E	76.9	Confident	76.8	Confident	41 Å²	41	50 Å²	50	19%	0.192	24%	0.243	C	C	.	.	P	Polyproline II helix	trans	-93.6	146.9	174.4	-76.5	167.1	-177.6	0	0	110.4	I369 T589 Y595 K603 L604	I369-E606 HydrophobicContact CG2-CB 4.22Å; T589-E606 HydrophobicContact CG2-CG 3.54Å; Y595-E606 VanDerWaalsContact CE1-OE1 3.28Å; Y595-E606 WeakPolarHBondContact CE1-OE1 3.29Å; K603-E606 VanDerWaalsContact CE-CD 3.48Å; K603-E606 WeakPolarHBondContact CE-OE1 3.05Å; K603-E606 IonicContact NZ-OE1 3.8Å; K603-E606 PolarHBondContact NZ-OE1 2.74Å; K603-E606 IonicContact NZ-OE2 2.86Å; K603-E606 PolarHBondContact NZ-OE2 3.34Å; L604-E606 PolarHBondContact O-N 3.49Å
607	C	78.1	Confident	77.2	Confident	24 Å²	24	45.5 Å²	45.5	16%	0.162	22%	0.22	C	C	.	.	P	Polyproline II helix	trans	-72.4	157.4	176.2	-57.7	0	0	0	0	111.9	C612	C607-C612 HydrophobicContact CB-CB 3.88Å; C607-C612 WeakPolarHBondContact CB-SG 3.42Å; C607-C612 WeakPolarHBondContact SG-CB 3.13Å; C607-C612 CovalentContact SG-SG 2.03Å; C607-C612 PolarHBondContact SG-SG 3.32Å
608	H	74.3	Confident	77.4	Confident	19 Å²	19	48.3 Å²	48.3	9%	0.088	24%	0.236	C	C	.	.	P	Polyproline II helix	trans	-56.1	148.1	171.3	-165.4	-105.1	0	0	0	111.5	S382 Y385 S610 G611	S382-H608 PolarHBondContact OG-CE1 2.98Å; S382-H608 VanDerWaalsContact OG-CE1 3.29Å; Y385-H608 AromaticContact CD2-CE1 3.5Å; Y385-H608 VanDerWaalsContact CD2-CE1 3.5Å; Y385-H608 WeakPolarHBondContact CD2-CE1 3.34Å; Y385-H608 AromaticContact CD2-NE2 3.95Å; Y385-H608 AromaticContact CG-CE1 3.6Å; H608-S610 PolarHBondContact ND1-OG 2.71Å; H608-S610 PolarHBondContact O-N 3.13Å; H608-G611 PolarHBondContact O-N 3.23Å
609	P	71.3	Confident	77.8	Confident	26 Å²	26	47.2 Å²	47.2	17%	0.169	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.9	-25.5	-178.4	-29.6	37.1	0	0	0	115.1	L379 G611	L379-P609 HydrophobicContact CD1-CB 4.22Å; P609-G611 VanDerWaalsContact C-N 3.27Å; P609-G611 PolarHBondContact O-N 2.96Å
610	S	69.5	Low	78.3	Confident	10 Å²	10	40.8 Å²	40.8	7%	0.07	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.7	9	174.4	65.4	0	0	0	0	115.4	Y385 T389 H608	Y385-S610 WeakPolarHBondContact CB-OG 3.32Å; T389-S610 PolarHBondContact OG1-O 2.93Å; H608-S610 PolarHBondContact ND1-OG 2.71Å; H608-S610 PolarHBondContact O-N 3.13Å
611	G	78	Confident	78.7	Confident	5 Å²	5	35.1 Å²	35.1	5%	0.052	17%	0.171	C	C	.	.			trans	91.5	157	177.9	0	0	0	0	0	114.9	H608 P609 L613 I614	H608-G611 PolarHBondContact O-N 3.23Å; P609-G611 VanDerWaalsContact C-N 3.27Å; P609-G611 PolarHBondContact O-N 2.96Å; G611-L613 VanDerWaalsContact C-N 3.29Å; G611-L613 PolarHBondContact O-N 3.23Å; G611-I614 WeakPolarHBondContact O-CG2 3.29Å
612	C	82.1	Confident	79.1	Confident	26 Å²	26	29.6 Å²	29.6	18%	0.176	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.3	-15.4	-174.4	-37.4	0	0	0	0	114.4	C607 I614 D615 L616 T762	C607-C612 HydrophobicContact CB-CB 3.88Å; C607-C612 WeakPolarHBondContact CB-SG 3.42Å; C607-C612 WeakPolarHBondContact SG-CB 3.13Å; C607-C612 CovalentContact SG-SG 2.03Å; C607-C612 PolarHBondContact SG-SG 3.32Å; C612-I614 PolarHBondContact O-N 3.43Å; C612-D615 PolarHBondContact O-N 2.8Å; C612-L616 PolarHBondContact O-N 3.4Å; C612-T762 HydrophobicContact CB-CG2 4.27Å
613	L	85.3	Confident	79.4	Confident	4 Å²	4	26.3 Å²	26.3	2%	0.021	14%	0.144	C	C	.	.	H	α-helix	trans	-64.3	-28.7	-174.1	-172.5	146.9	0	0	0	112.5	F392 D393 G611 C617 A699 T762	F392-L613 HydrophobicContact CB-CD2 4.22Å; D393-L613 HydrophobicContact CB-CD1 4.19Å; D393-L613 HydrophobicContact CB-CD2 4.3Å; G611-L613 VanDerWaalsContact C-N 3.29Å; G611-L613 PolarHBondContact O-N 3.23Å; L613-C617 WeakPolarHBondContact O-CB 3.1Å; L613-C617 PolarHBondContact O-N 2.8Å; L613-A699 HydrophobicContact CG-CB 4.45Å; L613-T762 HydrophobicContact CB-CG2 4.4Å
614	I	83.3	Confident	79.6	Confident	5 Å²	5	26.5 Å²	26.5	3%	0.026	15%	0.145	C	C	.	.	H	α-helix	trans	-70.5	-36.7	176.8	-168.1	152	0	0	0	112.2	Y385 V388 G611 C612 C617 M618	Y385-I614 HydrophobicContact CD1-CD1 3.88Å; V388-I614 HydrophobicContact CB-CD1 3.72Å; V388-I614 HydrophobicContact CG1-CD1 3.57Å; V388-I614 HydrophobicContact CG1-CG1 4.35Å; G611-I614 WeakPolarHBondContact O-CG2 3.29Å; C612-I614 PolarHBondContact O-N 3.43Å; I614-C617 PolarHBondContact O-N 2.86Å; I614-M618 HydrophobicContact CD1-CE 4.27Å; I614-M618 HydrophobicContact CG1-CE 3.97Å; I614-M618 WeakPolarHBondContact O-CB 3.45Å; I614-M618 WeakPolarHBondContact O-CG 3.47Å; I614-M618 PolarHBondContact O-N 3.1Å
615	D	80.9	Confident	80	Confident	37 Å²	37	28 Å²	28	20%	0.198	16%	0.156	C	C	.	.	H	α-helix	trans	-64.8	-43.1	175.5	-58.6	-57.4	0	0	0	110.7	I581 C612 M618 Q619	I581-D615 HydrophobicContact CG2-CB 3.88Å; C612-D615 PolarHBondContact O-N 2.8Å; D615-M618 PolarHBondContact O-N 2.79Å; D615-Q619 VanDerWaalsContact O-CB 3.28Å; D615-Q619 WeakPolarHBondContact O-CB 3.48Å; D615-Q619 PolarHBondContact O-N 2.82Å
616	L	85.2	Confident	80.2	Confident	0 Å²	0	30.4 Å²	30.4	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-60.4	-48.1	173.2	175.9	60	0	0	0	111.7	T578 I581 A582 C612 Q619 M620 F696 A699 V758 T762	T578-L616 HydrophobicContact CG2-CD1 3.41Å; T578-L616 VanDerWaalsContact CG2-CD1 3.41Å; I581-L616 HydrophobicContact CG2-CB 4.14Å; A582-L616 HydrophobicContact CB-CD1 4.23Å; A582-L616 HydrophobicContact CB-CD2 3.99Å; C612-L616 PolarHBondContact O-N 3.4Å; L616-Q619 PolarHBondContact O-N 3.01Å; L616-M620 HydrophobicContact CD1-CG 4.33Å; L616-M620 HydrophobicContact CD1-SD 4.29Å; L616-M620 HydrophobicContact CG-SD 4.34Å; L616-M620 WeakPolarHBondContact O-CB 3.43Å; L616-M620 WeakPolarHBondContact O-CG 3.2Å; L616-M620 PolarHBondContact O-N 3.3Å; L616-F696 HydrophobicContact CD1-CD1 4.33Å; L616-A699 HydrophobicContact CD2-CB 3.62Å; L616-A699 HydrophobicContact CG-CB 3.97Å; L616-V758 HydrophobicContact CD2-CG1 4.41Å; L616-T762 HydrophobicContact CD2-CG2 4.19Å
617	C	86.8	Confident	80.2	Confident	9 Å²	9	30.2 Å²	30.2	6%	0.061	17%	0.168	C	C	.	.	H	α-helix	trans	-61.9	-44.7	178.1	179.4	0	0	0	0	112	L613 I614 M620 G621 F700	L613-C617 WeakPolarHBondContact O-CB 3.1Å; L613-C617 PolarHBondContact O-N 2.8Å; I614-C617 PolarHBondContact O-N 2.86Å; C617-M620 PolarHBondContact O-N 3.04Å; C617-G621 PolarHBondContact O-N 2.98Å; C617-F700 VanDerWaalsContact SG-CD2 3.52Å
618	M	81.9	Confident	80.4	Confident	94 Å²	94	30.1 Å²	30.1	46%	0.463	17%	0.166	S	C	.	.	H	α-helix	trans	-64.3	-44.9	176.8	-74.3	-173.7	179	0	0	111.5	Y385 I614 D615 M620 G621 I622	Y385-M618 HydrophobicContact CE1-CE 4.33Å; I614-M618 HydrophobicContact CD1-CE 4.27Å; I614-M618 HydrophobicContact CG1-CE 3.97Å; I614-M618 WeakPolarHBondContact O-CB 3.45Å; I614-M618 WeakPolarHBondContact O-CG 3.47Å; I614-M618 PolarHBondContact O-N 3.1Å; D615-M618 PolarHBondContact O-N 2.79Å; M618-M620 PolarHBondContact O-N 3.12Å; M618-G621 PolarHBondContact O-N 3.42Å; M618-I622 WeakPolarHBondContact O-CB 3.39Å; M618-I622 WeakPolarHBondContact O-CD1 3.33Å; M618-I622 VanDerWaalsContact O-CG1 3.23Å; M618-I622 WeakPolarHBondContact O-CG1 3.37Å; M618-I622 PolarHBondContact O-N 3.08Å
619	Q	82.1	Confident	80.7	Confident	25 Å²	25	33.2 Å²	33.2	12%	0.117	19%	0.186	C	C	.	.	H	α-helix	trans	-59.5	-46.9	176	-179.5	-177.7	25	0	0	111.8	S577 D615 L616 I623	S577-Q619 PolarHBondContact O-NE2 2.91Å; S577-Q619 PolarHBondContact OG-NE2 3.37Å; S577-Q619 VanDerWaalsContact OG-NE2 3.13Å; D615-Q619 VanDerWaalsContact O-CB 3.28Å; D615-Q619 WeakPolarHBondContact O-CB 3.48Å; D615-Q619 PolarHBondContact O-N 2.82Å; L616-Q619 PolarHBondContact O-N 3.01Å; Q619-I623 HydrophobicContact CG-CD1 3.73Å; Q619-I623 HydrophobicContact CG-CG1 4.48Å; Q619-I623 WeakPolarHBondContact O-CB 3.47Å; Q619-I623 VanDerWaalsContact O-CG1 3.23Å; Q619-I623 WeakPolarHBondContact O-CG1 3.29Å; Q619-I623 PolarHBondContact O-N 3.01Å
620	M	84.1	Confident	81.3	Confident	8 Å²	8	36.7 Å²	36.7	4%	0.039	20%	0.196	C	C	.	.	H	α-helix	trans	-60.9	-47.4	175.8	-75.1	177.8	65	0	0	112.3	T578 L616 C617 M618 I623 M624 F696 A699 F700	T578-M620 HydrophobicContact CG2-CG 4.2Å; L616-M620 HydrophobicContact CD1-CG 4.33Å; L616-M620 HydrophobicContact CD1-SD 4.29Å; L616-M620 HydrophobicContact CG-SD 4.34Å; L616-M620 WeakPolarHBondContact O-CB 3.43Å; L616-M620 WeakPolarHBondContact O-CG 3.2Å; L616-M620 PolarHBondContact O-N 3.3Å; C617-M620 PolarHBondContact O-N 3.04Å; M618-M620 PolarHBondContact O-N 3.12Å; M620-I623 PolarHBondContact O-N 3.45Å; M620-M624 VanDerWaalsContact O-CB 3.25Å; M620-M624 WeakPolarHBondContact O-CB 3.47Å; M620-M624 PolarHBondContact O-N 3.47Å; M620-F696 HydrophobicContact CE-CB 3.55Å; M620-F696 HydrophobicContact SD-CB 3.37Å; M620-F696 WeakPolarHBondContact SD-CB 3.41Å; M620-F696 HydrophobicContact SD-CG 4.2Å; M620-A699 HydrophobicContact SD-CB 4.23Å; M620-F700 HydrophobicContact CE-CB 3.83Å; M620-F700 HydrophobicContact SD-CB 4.27Å
621	G	82.3	Confident	81.9	Confident	18 Å²	18	38 Å²	38	19%	0.186	20%	0.202	C	C	.	.	H	α-helix	trans	-60.7	-47.4	179	0	0	0	0	0	111.9	C617 M618 V625	C617-G621 PolarHBondContact O-N 2.98Å; M618-G621 PolarHBondContact O-N 3.42Å; G621-V625 WeakPolarHBondContact O-CB 3.5Å; G621-V625 VanDerWaalsContact O-CG2 3.31Å; G621-V625 WeakPolarHBondContact O-CG2 3.33Å; G621-V625 PolarHBondContact O-N 3.29Å
622	I	80.9	Confident	82.3	Confident	77 Å²	77	38.6 Å²	38.6	40%	0.395	20%	0.204	S	C	.	.	H	α-helix	trans	-62	-50.1	176.6	-68.5	165.3	0	0	0	110.5	V525 M618 M624 L626	V525-I622 HydrophobicContact CG1-CG2 4.22Å; M618-I622 WeakPolarHBondContact O-CB 3.39Å; M618-I622 WeakPolarHBondContact O-CD1 3.33Å; M618-I622 VanDerWaalsContact O-CG1 3.23Å; M618-I622 WeakPolarHBondContact O-CG1 3.37Å; M618-I622 PolarHBondContact O-N 3.08Å; I622-M624 PolarHBondContact O-N 3.22Å; I622-L626 HydrophobicContact CG2-CD2 4.46Å; I622-L626 WeakPolarHBondContact O-CA 3.3Å; I622-L626 WeakPolarHBondContact O-CB 3.38Å; I622-L626 PolarHBondContact O-N 2.87Å
623	I	79.6	Confident	82.5	Confident	28 Å²	28	43.2 Å²	43.2	14%	0.144	22%	0.221	C	C	.	.	I	π-helix	trans	-61.5	-47.9	-179.2	-69.7	171.2	0	0	0	110.6	L574 Q619 M620 K627 F692	L574-I623 HydrophobicContact CD1-CG2 4.21Å; Q619-I623 HydrophobicContact CG-CD1 3.73Å; Q619-I623 HydrophobicContact CG-CG1 4.48Å; Q619-I623 WeakPolarHBondContact O-CB 3.47Å; Q619-I623 VanDerWaalsContact O-CG1 3.23Å; Q619-I623 WeakPolarHBondContact O-CG1 3.29Å; Q619-I623 PolarHBondContact O-N 3.01Å; M620-I623 PolarHBondContact O-N 3.45Å; I623-K627 WeakPolarHBondContact O-CA 3.34Å; I623-K627 WeakPolarHBondContact O-CB 3.31Å; I623-K627 PolarHBondContact O-N 3.35Å; I623-F692 HydrophobicContact CG2-CE1 4.14Å; I623-F692 HydrophobicContact CG2-CE2 3.93Å; I623-F692 HydrophobicContact CG2-CZ 3.4Å; I623-F692 VanDerWaalsContact CG2-CZ 3.4Å
624	M	80.8	Confident	82.4	Confident	20 Å²	20	46.6 Å²	46.6	10%	0.099	24%	0.238	C	C	.	.	I	π-helix	trans	-71.4	-32.4	-175.3	-169.4	179.6	56.6	0	0	112.9	M620 I622 Q628 F700 A703 L706	M620-M624 VanDerWaalsContact O-CB 3.25Å; M620-M624 WeakPolarHBondContact O-CB 3.47Å; M620-M624 PolarHBondContact O-N 3.47Å; I622-M624 PolarHBondContact O-N 3.22Å; M624-Q628 WeakPolarHBondContact O-CB 3.26Å; M624-F700 HydrophobicContact CE-CD1 4.21Å; M624-F700 HydrophobicContact CE-CE1 3.73Å; M624-A703 HydrophobicContact CE-CB 4.41Å; M624-A703 HydrophobicContact SD-CB 4.41Å; M624-L706 HydrophobicContact CE-CB 3.65Å; M624-L706 HydrophobicContact CE-CD1 3.64Å; M624-L706 HydrophobicContact CE-CG 4.17Å; M624-L706 HydrophobicContact SD-CB 4.5Å
625	V	83	Confident	82.4	Confident	76 Å²	76	47.3 Å²	47.3	46%	0.461	24%	0.241	S	C	.	.	I	π-helix	trans	-80.1	-50.3	174.5	175.9	0	0	0	0	111.5	G621 T629 L706	G621-V625 WeakPolarHBondContact O-CB 3.5Å; G621-V625 VanDerWaalsContact O-CG2 3.31Å; G621-V625 WeakPolarHBondContact O-CG2 3.33Å; G621-V625 PolarHBondContact O-N 3.29Å; V625-T629 WeakPolarHBondContact O-CB 3.27Å; V625-T629 WeakPolarHBondContact O-CG2 3.1Å; V625-T629 PolarHBondContact O-N 3.13Å; V625-T629 PolarHBondContact O-OG1 3.44Å; V625-L706 HydrophobicContact CG2-CD1 4.1Å
626	L	78.9	Confident	82.5	Confident	86 Å²	86	48 Å²	48	45%	0.45	24%	0.244	S	C	.	.	I	π-helix	trans	-72.6	-47	-173.3	-174.8	64.3	0	0	0	111.9	I622 Q628 T629 W630	I622-L626 HydrophobicContact CG2-CD2 4.46Å; I622-L626 WeakPolarHBondContact O-CA 3.3Å; I622-L626 WeakPolarHBondContact O-CB 3.38Å; I622-L626 PolarHBondContact O-N 2.87Å; L626-Q628 VanDerWaalsContact C-N 3.3Å; L626-Q628 PolarHBondContact O-N 3.21Å; L626-T629 PolarHBondContact O-OG1 2.93Å; L626-W630 WeakPolarHBondContact O-CB 3.49Å; L626-W630 PolarHBondContact O-N 3.5Å
627	K	76.6	Confident	82.5	Confident	37 Å²	37	48.5 Å²	48.5	16%	0.161	25%	0.25	C	S	.	.	I	π-helix	trans	-63.8	-39.6	179.3	-169.1	-171.4	178.7	-170.5	0	110.8	L574 I623 N631	L574-K627 HydrophobicContact CD1-CD 3.91Å; L574-K627 VanDerWaalsContact CD2-NZ 3.3Å; I623-K627 WeakPolarHBondContact O-CA 3.34Å; I623-K627 WeakPolarHBondContact O-CB 3.31Å; I623-K627 PolarHBondContact O-N 3.35Å; K627-N631 WeakPolarHBondContact O-CB 3.32Å; K627-N631 PolarHBondContact O-N 2.79Å; K627-N631 PolarHBondContact O-OD1 3.35Å
628	Q	80.9	Confident	82.4	Confident	22 Å²	22	55.1 Å²	55.1	10%	0.103	28%	0.275	C	S	.	.	H	α-helix	trans	-74	-48.1	-178	-162.7	64	45.4	0	0	111.6	M624 L626 W630 N631 N632 N710 E714	M624-Q628 WeakPolarHBondContact O-CB 3.26Å; L626-Q628 VanDerWaalsContact C-N 3.3Å; L626-Q628 PolarHBondContact O-N 3.21Å; Q628-W630 PolarHBondContact O-N 3.27Å; Q628-N631 PolarHBondContact O-N 3.38Å; Q628-N631 VanDerWaalsContact O-N 3.11Å; Q628-N632 PolarHBondContact NE2-OD1 3.13Å; Q628-N632 VanDerWaalsContact O-CG 3.26Å; Q628-N632 PolarHBondContact O-N 3.01Å; Q628-N632 PolarHBondContact O-OD1 3.18Å; Q628-N710 HydrophobicContact CG-CB 4.12Å; Q628-N710 WeakPolarHBondContact CG-ND2 3.42Å; Q628-N710 WeakPolarHBondContact CG-OD1 3.36Å; Q628-N710 PolarHBondContact NE2-ND2 3.19Å; Q628-N710 PolarHBondContact NE2-OD1 2.91Å; Q628-E714 PolarHBondContact NE2-OE1 3.06Å
629	T	82.2	Confident	82.6	Confident	84 Å²	84	50.9 Å²	50.9	52%	0.515	25%	0.254	S	S	.	.	H	α-helix	trans	-59.9	-36.1	174.9	52.5	0	0	0	0	112.2	V625 L626 F633	V625-T629 WeakPolarHBondContact O-CB 3.27Å; V625-T629 WeakPolarHBondContact O-CG2 3.1Å; V625-T629 PolarHBondContact O-N 3.13Å; V625-T629 PolarHBondContact O-OG1 3.44Å; L626-T629 PolarHBondContact O-OG1 2.93Å; T629-F633 WeakPolarHBondContact O-CB 3.43Å; T629-F633 PolarHBondContact O-N 3.11Å
630	W	82.5	Confident	82.7	Confident	99 Å²	99	52.5 Å²	52.5	38%	0.375	26%	0.263	S	S	.	.	H	α-helix	trans	-65.4	-44.5	171.9	-177.7	-100.1	0	0	0	113.6	F529 L626 Q628 F633 M634	F529-W630 AromaticContact CZ-CD1 3.93Å; F529-W630 HydrophobicContact CZ-CD2 4.48Å; F529-W630 HydrophobicContact CZ-CG 4.23Å; F529-W630 AromaticContact CZ-NE1 3.94Å; L626-W630 WeakPolarHBondContact O-CB 3.49Å; L626-W630 PolarHBondContact O-N 3.5Å; Q628-W630 PolarHBondContact O-N 3.27Å; W630-F633 PolarHBondContact O-N 3.33Å; W630-M634 HydrophobicContact CD2-CG 4.32Å; W630-M634 HydrophobicContact CH2-CE 3.36Å; W630-M634 HydrophobicContact CZ2-CE 3.39Å; W630-M634 HydrophobicContact CZ2-CG 4.2Å; W630-M634 HydrophobicContact CZ3-CE 3.96Å; W630-M634 WeakPolarHBondContact O-CB 3.37Å; W630-M634 PolarHBondContact O-N 3.31Å
631	N	82.6	Confident	82.9	Confident	37 Å²	37	56.9 Å²	56.9	20%	0.198	29%	0.286	C	S	.	.	H	α-helix	trans	-58.9	-54.8	175.6	-79.5	-6	0	0	0	110.6	K627 Q628 F633 M634 E635	K627-N631 WeakPolarHBondContact O-CB 3.32Å; K627-N631 PolarHBondContact O-N 2.79Å; K627-N631 PolarHBondContact O-OD1 3.35Å; Q628-N631 PolarHBondContact O-N 3.38Å; Q628-N631 VanDerWaalsContact O-N 3.11Å; N631-F633 VanDerWaalsContact C-N 3.27Å; N631-F633 PolarHBondContact O-N 2.92Å; N631-M634 PolarHBondContact O-N 2.95Å; N631-E635 WeakPolarHBondContact O-CB 3.31Å; N631-E635 PolarHBondContact O-N 3.43Å
632	N	86.1	Confident	83	Confident	18 Å²	18	58.6 Å²	58.6	10%	0.096	29%	0.289	C	S	.	.	H	α-helix	trans	-59.4	-40.3	-179.1	-59.2	27.2	0	0	0	110.7	Q628 L636 N710 E714 L717	Q628-N632 PolarHBondContact NE2-OD1 3.13Å; Q628-N632 VanDerWaalsContact O-CG 3.26Å; Q628-N632 PolarHBondContact O-N 3.01Å; Q628-N632 PolarHBondContact O-OD1 3.18Å; N632-L636 WeakPolarHBondContact O-CB 3.28Å; N632-L636 PolarHBondContact O-N 3.11Å; N632-L636 VanDerWaalsContact O-N 3.1Å; N632-N710 PolarHBondContact ND2-OD1 3.43Å; N632-E714 PolarHBondContact ND2-OE2 2.78Å; N632-E714 PolarHBondContact OD1-OE2 3.32Å; N632-L717 HydrophobicContact CB-CD1 3.69Å
633	F	86.3	Confident	83.1	Confident	123 Å²	123	55 Å²	55	54%	0.539	27%	0.271	S	S	.	.	H	α-helix	trans	-64.6	-47	175.7	176.6	-96.2	0	0	0	112.5	T629 W630 N631 G637	T629-F633 WeakPolarHBondContact O-CB 3.43Å; T629-F633 PolarHBondContact O-N 3.11Å; W630-F633 PolarHBondContact O-N 3.33Å; N631-F633 VanDerWaalsContact C-N 3.27Å; N631-F633 PolarHBondContact O-N 2.92Å; F633-G637 VanDerWaalsContact O-CA 3.27Å; F633-G637 WeakPolarHBondContact O-CA 3.3Å; F633-G637 PolarHBondContact O-N 3.22Å
634	M	83.9	Confident	83.4	Confident	75 Å²	75	60.9 Å²	60.9	37%	0.369	29%	0.291	S	S	.	.	H	α-helix	trans	-69.4	-37.3	179.6	-78.9	-63.6	165.9	0	0	112.2	W630 N631 Y638	W630-M634 HydrophobicContact CD2-CG 4.32Å; W630-M634 HydrophobicContact CH2-CE 3.36Å; W630-M634 HydrophobicContact CZ2-CE 3.39Å; W630-M634 HydrophobicContact CZ2-CG 4.2Å; W630-M634 HydrophobicContact CZ3-CE 3.96Å; W630-M634 WeakPolarHBondContact O-CB 3.37Å; W630-M634 PolarHBondContact O-N 3.31Å; N631-M634 PolarHBondContact O-N 2.95Å; M634-Y638 WeakPolarHBondContact O-CB 3.29Å; M634-Y638 PolarHBondContact O-N 2.87Å
635	E	82.6	Confident	83.7	Confident	21 Å²	21	68.1 Å²	68.1	10%	0.098	32%	0.317	C	S	.	.	H	α-helix	trans	-65.9	-41.3	178.7	-178.9	-179	153.6	0	0	113.2	N631 P639 K685 L717 K721	N631-E635 WeakPolarHBondContact O-CB 3.31Å; N631-E635 PolarHBondContact O-N 3.43Å; E635-P639 WeakPolarHBondContact O-CD 3.29Å; E635-P639 WeakPolarHBondContact O-CG 3.42Å; E635-K685 IonicContact OE2-NZ 2.74Å; E635-K685 PolarHBondContact OE2-NZ 3.37Å; E635-L717 HydrophobicContact CB-CD2 4.36Å; E635-L717 HydrophobicContact CG-CD2 3.84Å; E635-L717 WeakPolarHBondContact OE1-CD2 3.47Å; E635-K721 HydrophobicContact CG-CD 3.86Å; E635-K721 IonicContact OE1-NZ 3.86Å; E635-K721 PolarHBondContact OE1-NZ 3.04Å
636	L	83.8	Confident	83.6	Confident	50 Å²	50	66.7 Å²	66.7	26%	0.262	31%	0.309	S	S	.	.	H	α-helix	trans	-78.3	-43.2	174.1	-176	57.8	0	0	0	111.1	N632 L640 L717 Y720	N632-L636 WeakPolarHBondContact O-CB 3.28Å; N632-L636 PolarHBondContact O-N 3.11Å; N632-L636 VanDerWaalsContact O-N 3.1Å; L636-L640 HydrophobicContact CD1-CD1 3.78Å; L636-L640 HydrophobicContact CD1-CG 4.44Å; L636-L640 HydrophobicContact CG-CD1 3.84Å; L636-L640 WeakPolarHBondContact O-CB 3.43Å; L636-L640 WeakPolarHBondContact O-CD1 3.19Å; L636-L640 WeakPolarHBondContact O-CG 3.35Å; L636-L640 PolarHBondContact O-N 3.45Å; L636-L717 HydrophobicContact CB-CD1 4.4Å; L636-L717 HydrophobicContact CB-CD2 4.04Å; L636-L717 HydrophobicContact CB-CG 4.3Å; L636-Y720 HydrophobicContact CD1-CD1 3.81Å; L636-Y720 HydrophobicContact CD1-CE1 3.92Å
637	G	84.9	Confident	83.6	Confident	12 Å²	12	67.2 Å²	67.2	12%	0.124	31%	0.305	C	S	.	.	H	α-helix	trans	-71	-48.9	-172.7	0	0	0	0	0	113.8	F633 L640 I641	F633-G637 VanDerWaalsContact O-CA 3.27Å; F633-G637 WeakPolarHBondContact O-CA 3.3Å; F633-G637 PolarHBondContact O-N 3.22Å; G637-L640 PolarHBondContact O-N 3.31Å; G637-I641 VanDerWaalsContact O-CB 3.31Å; G637-I641 WeakPolarHBondContact O-CB 3.5Å; G637-I641 WeakPolarHBondContact O-CD1 3.36Å; G637-I641 WeakPolarHBondContact O-CG1 3.11Å; G637-I641 PolarHBondContact O-N 3.48Å
638	Y	84.8	Confident	83.9	Confident	148 Å²	148	68.8 Å²	68.8	58%	0.58	31%	0.313	S	S	*	.	H	α-helix	trans	-54.2	-56.2	-177.9	178.6	-97.6	0	0	0	113	M634 L640 I641 Q642	M634-Y638 WeakPolarHBondContact O-CB 3.29Å; M634-Y638 PolarHBondContact O-N 2.87Å; Y638-L640 PolarHBondContact O-N 3.34Å; Y638-I641 PolarHBondContact O-N 3.2Å; Y638-Q642 VanDerWaalsContact O-CB 3.26Å; Y638-Q642 WeakPolarHBondContact O-CB 3.17Å; Y638-Q642 PolarHBondContact O-N 3.11Å
639	P	85.4	Confident	83.9	Confident	5 Å²	5	75 Å²	75	3%	0.032	34%	0.336	C	S	.	.	H	α-helix	trans	-69.9	-31.2	179.8	30.1	-36.3	0	0	0	112.4	E635 N643 Q672 Q725	E635-P639 WeakPolarHBondContact O-CD 3.29Å; E635-P639 WeakPolarHBondContact O-CG 3.42Å; P639-N643 WeakPolarHBondContact O-CB 3.1Å; P639-N643 PolarHBondContact O-N 3.08Å; P639-N643 PolarHBondContact O-ND2 2.98Å; P639-Q672 HydrophobicContact CB-CG 4.3Å; P639-Q725 HydrophobicContact CB-CB 4.12Å; P639-Q725 HydrophobicContact CG-CB 4.43Å
640	L	85.8	Confident	83.6	Confident	58 Å²	58	72.9 Å²	72.9	30%	0.304	32%	0.321	S	S	.	.	H	α-helix	trans	-64.2	-46.8	174.1	-80.3	175.3	0	0	0	111.9	L636 G637 Y638 W644 Q725	L636-L640 HydrophobicContact CD1-CD1 3.78Å; L636-L640 HydrophobicContact CD1-CG 4.44Å; L636-L640 HydrophobicContact CG-CD1 3.84Å; L636-L640 WeakPolarHBondContact O-CB 3.43Å; L636-L640 WeakPolarHBondContact O-CD1 3.19Å; L636-L640 WeakPolarHBondContact O-CG 3.35Å; L636-L640 PolarHBondContact O-N 3.45Å; G637-L640 PolarHBondContact O-N 3.31Å; Y638-L640 PolarHBondContact O-N 3.34Å; L640-W644 WeakPolarHBondContact O-CB 3.24Å; L640-W644 PolarHBondContact O-N 3.21Å; L640-Q725 HydrophobicContact CD2-CG 4.44Å
641	I	87.8	Confident	83.3	Confident	100 Å²	100	73 Å²	73	51%	0.513	32%	0.324	S	S	.	.	H	α-helix	trans	-65.5	-46.3	178.5	-69	165.2	0	0	0	110.1	G637 Y638 W644 W645	G637-I641 VanDerWaalsContact O-CB 3.31Å; G637-I641 WeakPolarHBondContact O-CB 3.5Å; G637-I641 WeakPolarHBondContact O-CD1 3.36Å; G637-I641 WeakPolarHBondContact O-CG1 3.11Å; G637-I641 PolarHBondContact O-N 3.48Å; Y638-I641 PolarHBondContact O-N 3.2Å; I641-W644 WeakPolarHBondContact O-CB 3.34Å; I641-W644 PolarHBondContact O-N 2.9Å; I641-W645 WeakPolarHBondContact O-CB 3.41Å; I641-W645 PolarHBondContact O-N 3.11Å
642	Q	84.1	Confident	83	Confident	54 Å²	54	81.1 Å²	81.1	25%	0.252	35%	0.352	S	S	.	.	H	α-helix	trans	-65.5	-47.2	179.5	-165.5	-178.7	8	0	0	111.4	Y638 W644 W645 T646 Q672	Y638-Q642 VanDerWaalsContact O-CB 3.26Å; Y638-Q642 WeakPolarHBondContact O-CB 3.17Å; Y638-Q642 PolarHBondContact O-N 3.11Å; Q642-W644 VanDerWaalsContact C-N 3.26Å; Q642-W644 PolarHBondContact O-N 3.33Å; Q642-W645 PolarHBondContact O-N 3.12Å; Q642-T646 PolarHBondContact O-N 3.17Å; Q642-T646 PolarHBondContact O-OG1 3.41Å; Q642-Q672 VanDerWaalsContact CD-OE1 3.22Å; Q642-Q672 VanDerWaalsContact NE2-OE1 3.11Å
643	N	83.6	Confident	82.3	Confident	1 Å²	1	84.9 Å²	84.9	1%	0.005	37%	0.369	C	S	.	.	H	α-helix	trans	-63	-32.9	174.3	-68.7	-18.9	0	0	0	111.4	P639 R647 Q672 Q725	P639-N643 WeakPolarHBondContact O-CB 3.1Å; P639-N643 PolarHBondContact O-N 3.08Å; P639-N643 PolarHBondContact O-ND2 2.98Å; N643-R647 VanDerWaalsContact C-CZ 3.41Å; N643-R647 VanDerWaalsContact C-NH2 3.3Å; N643-R647 WeakPolarHBondContact O-CB 3.21Å; N643-R647 VanDerWaalsContact O-CG 3.22Å; N643-R647 WeakPolarHBondContact O-CG 3.39Å; N643-R647 PolarHBondContact O-N 3Å; N643-R647 PolarHBondContact O-NE 3.12Å; N643-R647 PolarHBondContact O-NH2 3.46Å; N643-Q672 PolarHBondContact OD1-NE2 3.19Å; N643-Q725 PolarHBondContact ND2-O 2.89Å; N643-Q725 VanDerWaalsContact ND2-O 3.12Å; N643-Q725 PolarHBondContact ND2-OE1 2.99Å
644	W	85.1	Confident	81.4	Confident	152 Å²	152	83.3 Å²	83.3	58%	0.576	36%	0.363	S	S	*	.	H	α-helix	trans	-67.9	-43.9	173	174	93.3	0	0	0	111.9	L640 I641 Q642 R647 Q648	L640-W644 WeakPolarHBondContact O-CB 3.24Å; L640-W644 PolarHBondContact O-N 3.21Å; I641-W644 WeakPolarHBondContact O-CB 3.34Å; I641-W644 PolarHBondContact O-N 2.9Å; Q642-W644 VanDerWaalsContact C-N 3.26Å; Q642-W644 PolarHBondContact O-N 3.33Å; W644-R647 VanDerWaalsContact N-NH2 3.15Å; W644-R647 PolarHBondContact O-N 3.38Å; W644-Q648 WeakPolarHBondContact O-CB 3.41Å; W644-Q648 PolarHBondContact O-N 3.13Å
645	W	86.2	Confident	80.6	Confident	172 Å²	172	81.5 Å²	81.5	65%	0.652	36%	0.364	S	S	*	.	H	α-helix	trans	-65.5	-43.7	178.6	-168.5	5	0	0	0	111.6	I641 Q642 R647 Q648 R649	I641-W645 WeakPolarHBondContact O-CB 3.41Å; I641-W645 PolarHBondContact O-N 3.11Å; Q642-W645 PolarHBondContact O-N 3.12Å; W645-R647 VanDerWaalsContact C-N 3.35Å; W645-R647 PolarHBondContact O-N 2.92Å; W645-Q648 CarbonylContact O-C 3.6Å; W645-Q648 PolarHBondContact O-N 2.72Å; W645-Q648 VanDerWaalsContact O-N 3.13Å; W645-R649 WeakPolarHBondContact O-CB 3.44Å; W645-R649 PolarHBondContact O-N 3.01Å
646	T	81.1	Confident	79.6	Confident	46 Å²	46	87.5 Å²	87.5	28%	0.282	39%	0.391	S	S	.	.	H	α-helix	trans	-57.2	-46.4	172.6	-59.9	0	0	0	0	111.4	Q642 Q648 R649 L650	Q642-T646 PolarHBondContact O-N 3.17Å; Q642-T646 PolarHBondContact O-OG1 3.41Å; T646-Q648 VanDerWaalsContact C-N 3.34Å; T646-Q648 PolarHBondContact O-N 3.43Å; T646-R649 PolarHBondContact O-N 3.01Å; T646-L650 HydrophobicContact CG2-CD1 4.21Å; T646-L650 WeakPolarHBondContact O-CG 3.45Å; T646-L650 PolarHBondContact O-N 3.31Å
647	R	78.9	Confident	78.6	Confident	97 Å²	97	88 Å²	88	37%	0.366	39%	0.394	S	S	.	.	H	α-helix	trans	-61.7	-39	174.9	-72.9	177.3	-65.6	-116.5	2.7	112.7	N643 W644 W645 K651	N643-R647 VanDerWaalsContact C-CZ 3.41Å; N643-R647 VanDerWaalsContact C-NH2 3.3Å; N643-R647 WeakPolarHBondContact O-CB 3.21Å; N643-R647 VanDerWaalsContact O-CG 3.22Å; N643-R647 WeakPolarHBondContact O-CG 3.39Å; N643-R647 PolarHBondContact O-N 3Å; N643-R647 PolarHBondContact O-NE 3.12Å; N643-R647 PolarHBondContact O-NH2 3.46Å; W644-R647 VanDerWaalsContact N-NH2 3.15Å; W644-R647 PolarHBondContact O-N 3.38Å; W645-R647 VanDerWaalsContact C-N 3.35Å; W645-R647 PolarHBondContact O-N 2.92Å; R647-K651 WeakPolarHBondContact O-CG 3.46Å; R647-K651 PolarHBondContact O-N 3.42Å; R647-K651 VanDerWaalsContact O-N 3.08Å
648	Q	83.1	Confident	77.6	Confident	71 Å²	71	91 Å²	91	33%	0.332	41%	0.411	S	S	.	.	H	α-helix	trans	-74.8	-29.6	179.9	-164.9	69.3	-12.9	0	0	112.3	W644 W645 T646 R652	W644-Q648 WeakPolarHBondContact O-CB 3.41Å; W644-Q648 PolarHBondContact O-N 3.13Å; W645-Q648 CarbonylContact O-C 3.6Å; W645-Q648 PolarHBondContact O-N 2.72Å; W645-Q648 VanDerWaalsContact O-N 3.13Å; T646-Q648 VanDerWaalsContact C-N 3.34Å; T646-Q648 PolarHBondContact O-N 3.43Å; Q648-R652 WeakPolarHBondContact O-CG 3.26Å; Q648-R652 PolarHBondContact O-N 2.87Å
649	R	80.9	Confident	76.3	Confident	153 Å²	153	91.7 Å²	91.7	58%	0.577	42%	0.417	S	S	*	.	H	α-helix	trans	-66.7	-51.8	170.2	-180	178.6	175.6	159.9	8.2	111	W645 T646 K651 R652 E653	W645-R649 WeakPolarHBondContact O-CB 3.44Å; W645-R649 PolarHBondContact O-N 3.01Å; T646-R649 PolarHBondContact O-N 3.01Å; R649-K651 VanDerWaalsContact C-N 3.25Å; R649-K651 PolarHBondContact O-N 3.49Å; R649-R652 WeakPolarHBondContact O-CA 3.3Å; R649-R652 WeakPolarHBondContact O-CB 3.05Å; R649-R652 PolarHBondContact O-N 3.23Å; R649-E653 HydrophobicContact CG-CG 4.46Å; R649-E653 IonicContact CZ-OE1 2.77Å; R649-E653 VanDerWaalsContact CZ-OE1 3.24Å; R649-E653 IonicContact NE-OE1 2.64Å; R649-E653 PolarHBondContact NE-OE1 3.29Å; R649-E653 IonicContact NE-OE2 3.26Å; R649-E653 IonicContact NH2-OE1 3.5Å; R649-E653 PolarHBondContact NH2-OE1 3.43Å; R649-E653 PolarHBondContact O-N 2.99Å
650	L	75.4	Confident	75.1	Confident	39 Å²	39	96.3 Å²	96.3	20%	0.204	46%	0.455	C	S	.	.	H	α-helix	trans	-54.2	-42.1	175.4	-74	164.9	0	0	0	112	T646 R652 E653 H654 N670	T646-L650 HydrophobicContact CG2-CD1 4.21Å; T646-L650 WeakPolarHBondContact O-CG 3.45Å; T646-L650 PolarHBondContact O-N 3.31Å; L650-R652 VanDerWaalsContact C-N 3.32Å; L650-R652 PolarHBondContact O-N 3.34Å; L650-E653 PolarHBondContact O-N 3.17Å; L650-H654 PolarHBondContact O-N 2.03Å; L650-N670 WeakPolarHBondContact CD1-OD1 3.15Å
651	K	76.8	Confident	74.1	Confident	101 Å²	101	96.7 Å²	96.7	44%	0.439	46%	0.463	S	S	.	.	H	α-helix	trans	-62	-32.7	174.5	-81.3	-174.6	170.8	-161.7	0	114.5	R647 R649 G655	R647-K651 WeakPolarHBondContact O-CG 3.46Å; R647-K651 PolarHBondContact O-N 3.42Å; R647-K651 VanDerWaalsContact O-N 3.08Å; R649-K651 VanDerWaalsContact C-N 3.25Å; R649-K651 PolarHBondContact O-N 3.49Å; K651-G655 WeakPolarHBondContact CA-O 3.41Å; K651-G655 VanDerWaalsContact O-CA 3.3Å; K651-G655 WeakPolarHBondContact O-CA 3.43Å; K651-G655 PolarHBondContact O-N 2.9Å; K651-G655 VanDerWaalsContact O-N 3.15Å
652	R	76.8	Confident	73.5	Confident	207 Å²	207	93.5 Å²	93.5	78%	0.781	45%	0.447	S	S	*	.	H	α-helix	trans	-77.4	-37.1	176.9	-75	174.9	174.6	178.9	-1.5	112.1	Q648 R649 L650	Q648-R652 WeakPolarHBondContact O-CG 3.26Å; Q648-R652 PolarHBondContact O-N 2.87Å; R649-R652 WeakPolarHBondContact O-CA 3.3Å; R649-R652 WeakPolarHBondContact O-CB 3.05Å; R649-R652 PolarHBondContact O-N 3.23Å; L650-R652 VanDerWaalsContact C-N 3.32Å; L650-R652 PolarHBondContact O-N 3.34Å
653	E	72.2	Confident	73.5	Confident	98 Å²	98	92.1 Å²	92.1	46%	0.458	44%	0.442	S	S	.	.	H	α-helix	trans	-81	-35	-177.4	-67.7	171.3	164.5	0	0	112.5	R649 L650	R649-E653 HydrophobicContact CG-CG 4.46Å; R649-E653 IonicContact CZ-OE1 2.77Å; R649-E653 VanDerWaalsContact CZ-OE1 3.24Å; R649-E653 IonicContact NE-OE1 2.64Å; R649-E653 PolarHBondContact NE-OE1 3.29Å; R649-E653 IonicContact NE-OE2 3.26Å; R649-E653 IonicContact NH2-OE1 3.5Å; R649-E653 PolarHBondContact NH2-OE1 3.43Å; R649-E653 PolarHBondContact O-N 2.99Å; L650-E653 PolarHBondContact O-N 3.17Å
654	H	66	Low	73.5	Confident	90 Å²	90	92.3 Å²	92.3	42%	0.417	44%	0.443	S	S	.	.	H	α-helix	trans	-131.2	11.7	-170.5	-60.1	94.5	0	0	0	115	T126 L650 I657	T126-H654 PolarHBondContact O-CE1 3.15Å; T126-H654 PolarHBondContact O-ND1 3.49Å; T126-H654 PolarHBondContact O-NE2 3.38Å; L650-H654 PolarHBondContact O-N 2.03Å; H654-I657 HydrophobicContact CB-CD1 3.98Å
655	G	68.3	Low	73.6	Confident	37 Å²	37	86.1 Å²	86.1	38%	0.381	42%	0.42	S	S	.	.			trans	70.1	-159.4	178.2	0	0	0	0	0	114.4	K651 I657	K651-G655 WeakPolarHBondContact CA-O 3.41Å; K651-G655 VanDerWaalsContact O-CA 3.3Å; K651-G655 WeakPolarHBondContact O-CA 3.43Å; K651-G655 PolarHBondContact O-N 2.9Å; K651-G655 VanDerWaalsContact O-N 3.15Å; G655-I657 PolarHBondContact O-N 3.31Å; G655-I657 VanDerWaalsContact O-N 3.13Å
656	H	60.9	Low	73.6	Confident	146 Å²	146	78 Å²	78	68%	0.676	39%	0.389	S	S	*	.			trans	-90.3	64.9	-170.3	-161.5	-72.4	0	0	0	113.8	P658	H656-P658 WeakPolarHBondContact O-CD 3.47Å
657	I	63.5	Low	73.8	Confident	61 Å²	61	79.7 Å²	79.7	31%	0.313	39%	0.39	S	S	.	.			trans	-62.1	125.5	172.4	-57	177.6	0	0	0	110.1	T126 H654 G655 L662	T126-I657 HydrophobicContact CG2-CD1 4.28Å; H654-I657 HydrophobicContact CB-CD1 3.98Å; G655-I657 PolarHBondContact O-N 3.31Å; G655-I657 VanDerWaalsContact O-N 3.13Å; I657-L662 HydrophobicContact CG2-CD1 4.48Å; I657-L662 HydrophobicContact CG2-CD2 4.09Å; I657-L662 HydrophobicContact CG2-CG 4.02Å
658	P	62.1	Low	74.3	Confident	74 Å²	74	75.2 Å²	75.2	48%	0.481	37%	0.373	S	S	.	.			trans	-63.5	137.5	175.4	-23.1	34.2	0	0	0	112.6	H656 A660 S661	H656-P658 WeakPolarHBondContact O-CD 3.47Å; P658-A660 PolarHBondContact O-N 2.75Å; P658-S661 PolarHBondContact O-N 3.23Å; P658-S661 PolarHBondContact O-OG 3.48Å
659	K	59.2	Low	74.5	Confident	164 Å²	164	73.8 Å²	73.8	71%	0.713	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.6	-19.7	175.3	-70.5	-176.9	-179.4	175.1	0	114.2
660	A	59.3	Low	74.8	Confident	101 Å²	101	68.1 Å²	68.1	84%	0.835	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.9	-15	-179.8	0	0	0	0	0	114	P658	P658-A660 PolarHBondContact O-N 2.75Å
661	S	65	Low	75.3	Confident	66 Å²	66	67.3 Å²	67.3	46%	0.462	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.1	-3.5	175.6	60.9	0	0	0	0	113.4	P658	P658-S661 PolarHBondContact O-N 3.23Å; P658-S661 PolarHBondContact O-OG 3.48Å
662	L	75.3	Confident	75.7	Confident	34 Å²	34	64.1 Å²	64.1	18%	0.178	33%	0.329	C	S	.	.	S	Bend	trans	-87.1	122.7	173.8	-70.2	167.7	0	0	0	109.6	T126 I657 E666 R667	T126-L662 HydrophobicContact CG2-CD2 3.54Å; I657-L662 HydrophobicContact CG2-CD1 4.48Å; I657-L662 HydrophobicContact CG2-CD2 4.09Å; I657-L662 HydrophobicContact CG2-CG 4.02Å; L662-E666 VanDerWaalsContact CD2-OE2 3.29Å; L662-E666 WeakPolarHBondContact CD2-OE2 3.41Å; L662-R667 HydrophobicContact CB-CG 3.95Å; L662-R667 VanDerWaalsContact O-CD 3.26Å; L662-R667 WeakPolarHBondContact O-CD 3.47Å
663	P	83.1	Confident	76	Confident	25 Å²	25	57.6 Å²	57.6	16%	0.162	32%	0.315	C	S	.	.			trans	-68.6	161.4	179.7	29.8	-36	0	0	0	111.8	L125 W665 E666 R667	L125-P663 HydrophobicContact CD1-CG 4.44Å; P663-W665 VanDerWaalsContact C-N 3.26Å; P663-W665 HydrophobicContact CB-CD2 3.83Å; P663-W665 VanDerWaalsContact CB-CE2 3.44Å; P663-W665 HydrophobicContact CB-CE3 4.09Å; P663-W665 HydrophobicContact CB-CH2 3.64Å; P663-W665 HydrophobicContact CB-CZ2 3.32Å; P663-W665 HydrophobicContact CB-CZ3 4.03Å; P663-W665 HydrophobicContact CG-CD2 4.11Å; P663-W665 VanDerWaalsContact CG-CE2 3.42Å; P663-W665 HydrophobicContact CG-CG 4.48Å; P663-W665 HydrophobicContact CG-CH2 4.37Å; P663-W665 HydrophobicContact CG-CZ2 3.55Å; P663-W665 PolarHBondContact O-N 2.91Å; P663-E666 HydrophobicContact CG-CB 4.17Å; P663-E666 HydrophobicContact CG-CG 3.99Å; P663-E666 PolarHBondContact O-N 2.79Å; P663-E666 VanDerWaalsContact O-N 3.11Å; P663-R667 WeakPolarHBondContact O-CG 3.16Å; P663-R667 PolarHBondContact O-N 2.98Å
664	Q	85.3	Confident	76.4	Confident	5 Å²	5	55.4 Å²	55.4	2%	0.023	31%	0.305	C	S	.	.	H	α-helix	trans	-59.9	-34.1	-170.6	-174.2	53.5	34.1	0	0	113.2	L80 H268 R667 D668	L80-Q664 HydrophobicContact CD2-CB 4.45Å; L80-Q664 HydrophobicContact CD2-CG 4Å; H268-Q664 WeakPolarHBondContact O-CG 3.38Å; Q664-R667 PolarHBondContact O-N 3.1Å; Q664-D668 PolarHBondContact NE2-OD1 3.26Å; Q664-D668 PolarHBondContact NE2-OD2 3.11Å; Q664-D668 PolarHBondContact O-N 2.96Å
665	W	86.6	Confident	76.8	Confident	21 Å²	21	55 Å²	55	8%	0.08	31%	0.306	C	S	.	.	H	α-helix	trans	-68.7	-37.8	176.5	54.5	87.4	0	0	0	114.4	G79 I89 I92 E122 F132 L267 P663 Y669	G79-W665 WeakPolarHBondContact O-CZ3 3.24Å; I89-W665 HydrophobicContact CD1-CE3 3.8Å; I89-W665 HydrophobicContact CD1-CZ3 3.8Å; I92-W665 HydrophobicContact CD1-CB 3.21Å; I92-W665 HydrophobicContact CD1-CG 4.16Å; E122-W665 WeakPolarHBondContact OE2-CZ2 3.36Å; F132-W665 AromaticContact CD1-CD1 3.95Å; F132-W665 AromaticContact CD2-CD1 3.6Å; F132-W665 AromaticContact CD2-NE1 3.95Å; F132-W665 AromaticContact CE2-CD1 3.98Å; F132-W665 AromaticContact CG-CD1 3.58Å; F132-W665 HydrophobicContact CG-CG 4.49Å; L267-W665 HydrophobicContact CD2-CB 3.98Å; P663-W665 VanDerWaalsContact C-N 3.26Å; P663-W665 HydrophobicContact CB-CD2 3.83Å; P663-W665 VanDerWaalsContact CB-CE2 3.44Å; P663-W665 HydrophobicContact CB-CE3 4.09Å; P663-W665 HydrophobicContact CB-CH2 3.64Å; P663-W665 HydrophobicContact CB-CZ2 3.32Å; P663-W665 HydrophobicContact CB-CZ3 4.03Å; P663-W665 HydrophobicContact CG-CD2 4.11Å; P663-W665 VanDerWaalsContact CG-CE2 3.42Å; P663-W665 HydrophobicContact CG-CG 4.48Å; P663-W665 HydrophobicContact CG-CH2 4.37Å; P663-W665 HydrophobicContact CG-CZ2 3.55Å; P663-W665 PolarHBondContact O-N 2.91Å; W665-Y669 VanDerWaalsContact O-CB 3.24Å; W665-Y669 WeakPolarHBondContact O-CB 2.97Å; W665-Y669 PolarHBondContact O-N 3.25Å
666	E	86.9	Confident	76.6	Confident	1 Å²	1	57.4 Å²	57.4	1%	0.005	32%	0.323	C	S	.	.	H	α-helix	trans	-70.3	-36.8	172.9	-74.1	-171.8	171.4	0	0	111.6	S124 L125 F132 L662 P663 N670	S124-E666 WeakPolarHBondContact CA-OE1 3.21Å; S124-E666 VanDerWaalsContact CB-OE1 3.29Å; S124-E666 WeakPolarHBondContact CB-OE1 3.34Å; S124-E666 PolarHBondContact OG-OE1 3.32Å; L125-E666 PolarHBondContact N-OE1 3.42Å; F132-E666 HydrophobicContact CD2-CG 4.31Å; F132-E666 HydrophobicContact CE2-CG 3.46Å; F132-E666 VanDerWaalsContact CE2-CG 3.46Å; F132-E666 HydrophobicContact CZ-CG 3.78Å; L662-E666 VanDerWaalsContact CD2-OE2 3.29Å; L662-E666 WeakPolarHBondContact CD2-OE2 3.41Å; P663-E666 HydrophobicContact CG-CB 4.17Å; P663-E666 HydrophobicContact CG-CG 3.99Å; P663-E666 PolarHBondContact O-N 2.79Å; P663-E666 VanDerWaalsContact O-N 3.11Å; E666-N670 PolarHBondContact O-N 3.4Å; E666-N670 VanDerWaalsContact O-N 3.15Å; E666-N670 PolarHBondContact O-ND2 2.88Å
667	R	84.6	Confident	77	Confident	83 Å²	83	52.6 Å²	52.6	31%	0.313	30%	0.299	S	S	.	.	H	α-helix	trans	-62.2	-45.8	175.7	-70.7	174	56.5	179.9	-3.3	111.5	L662 P663 Q664 N670	L662-R667 HydrophobicContact CB-CG 3.95Å; L662-R667 VanDerWaalsContact O-CD 3.26Å; L662-R667 WeakPolarHBondContact O-CD 3.47Å; P663-R667 WeakPolarHBondContact O-CG 3.16Å; P663-R667 PolarHBondContact O-N 2.98Å; Q664-R667 PolarHBondContact O-N 3.1Å; R667-N670 PolarHBondContact O-N 3.17Å
668	D	88.5	Confident	77.7	Confident	2 Å²	2	50.3 Å²	50.3	1%	0.011	29%	0.291	C	S	.	.	H	α-helix	trans	-75.3	-35.7	179.2	-69.6	-21.5	0	0	0	112	F265 H268 R287 Q664 N670 L671 R727	F265-D668 HydrophobicContact CE2-CB 4.06Å; H268-D668 WeakPolarHBondContact CB-OD2 2.97Å; H268-D668 IonicContact CD2-OD1 3.24Å; H268-D668 PolarHBondContact CD2-OD1 2.77Å; H268-D668 IonicContact CD2-OD2 3.19Å; H268-D668 IonicContact CG-OD2 3.97Å; H268-D668 PolarHBondContact N-OD2 3.45Å; R287-D668 IonicContact NH1-OD1 2.8Å; R287-D668 PolarHBondContact NH1-OD1 3.32Å; Q664-D668 PolarHBondContact NE2-OD1 3.26Å; Q664-D668 PolarHBondContact NE2-OD2 3.11Å; Q664-D668 PolarHBondContact O-N 2.96Å; D668-N670 PolarHBondContact O-N 2.81Å; D668-L671 WeakPolarHBondContact O-CB 3.22Å; D668-L671 PolarHBondContact O-N 2.83Å; D668-R727 VanDerWaalsContact O-CG 3.25Å; D668-R727 WeakPolarHBondContact O-CG 3.47Å
669	Y	87.9	Confident	78.8	Confident	42 Å²	42	47.2 Å²	47.2	17%	0.165	27%	0.27	C	S	.	.	H	α-helix	trans	-57	-34	171.3	177.3	-114	0	0	0	112.5	V94 F132 D262 A263 F265 W665 L671 R727	V94-Y669 HydrophobicContact CB-CE2 4.29Å; V94-Y669 HydrophobicContact CG1-CD2 4.23Å; V94-Y669 HydrophobicContact CG1-CE2 3.81Å; V94-Y669 HydrophobicContact CG2-CD2 3.98Å; V94-Y669 HydrophobicContact CG2-CE2 4.26Å; F132-Y669 HydrophobicContact CE1-CD1 4.28Å; F132-Y669 HydrophobicContact CE1-CD2 4.37Å; F132-Y669 AromaticContact CE1-CG 3.93Å; F132-Y669 HydrophobicContact CE1-CG 3.93Å; F132-Y669 AromaticContact CZ-CD1 3.94Å; F132-Y669 HydrophobicContact CZ-CD1 3.94Å; F132-Y669 HydrophobicContact CZ-CG 4.06Å; D262-Y669 PolarHBondContact OD2-OH 2.87Å; A263-Y669 HydrophobicContact CB-CD2 4.38Å; A263-Y669 HydrophobicContact CB-CE2 4.23Å; F265-Y669 HydrophobicContact CE1-CD2 4.18Å; F265-Y669 HydrophobicContact CZ-CD2 4.47Å; W665-Y669 VanDerWaalsContact O-CB 3.24Å; W665-Y669 WeakPolarHBondContact O-CB 2.97Å; W665-Y669 PolarHBondContact O-N 3.25Å; Y669-L671 VanDerWaalsContact C-N 3.27Å; Y669-L671 PolarHBondContact O-N 2.86Å; Y669-R727 PolarHBondContact O-NE 3.23Å; Y669-R727 PolarHBondContact O-NH2 3.13Å
670	N	86.7	Confident	80.2	Confident	34 Å²	34	39.9 Å²	39.9	18%	0.182	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.4	3.5	176.4	-76.5	-65.6	0	0	0	115	L650 E666 R667 D668	L650-N670 WeakPolarHBondContact CD1-OD1 3.15Å; E666-N670 PolarHBondContact O-N 3.4Å; E666-N670 VanDerWaalsContact O-N 3.15Å; E666-N670 PolarHBondContact O-ND2 2.88Å; R667-N670 PolarHBondContact O-N 3.17Å; D668-N670 PolarHBondContact O-N 2.81Å
671	L	87.1	Confident	81.5	Confident	21 Å²	21	37 Å²	37	11%	0.11	21%	0.208	C	C	.	.	S	Bend	trans	-91.4	161.2	167.6	-60.3	176.6	0	0	0	111	D668 Y669 W726 R727	D668-L671 WeakPolarHBondContact O-CB 3.22Å; D668-L671 PolarHBondContact O-N 2.83Å; Y669-L671 VanDerWaalsContact C-N 3.27Å; Y669-L671 PolarHBondContact O-N 2.86Å; L671-W726 WeakPolarHBondContact CD1-O 3.34Å; L671-R727 HydrophobicContact CB-CG 3.99Å; L671-R727 PolarHBondContact O-NE 3.21Å; L671-R727 PolarHBondContact O-NH2 3.34Å
672	Q	85	Confident	82.7	Confident	34 Å²	34	34.1 Å²	34.1	16%	0.159	19%	0.188	C	C	.	.	B	Isolated β-bridge	trans	-69.7	139.9	175.7	-61.2	-44.7	-50.4	0	0	111.7	P639 Q642 N643 Q725 W726 R727	P639-Q672 HydrophobicContact CB-CG 4.3Å; Q642-Q672 VanDerWaalsContact CD-OE1 3.22Å; Q642-Q672 VanDerWaalsContact NE2-OE1 3.11Å; N643-Q672 PolarHBondContact OD1-NE2 3.19Å; Q672-Q725 PolarHBondContact N-O 3.36Å; Q672-W726 CarbonylContact O-C 3.46Å; Q672-W726 WeakPolarHBondContact O-CA 3.45Å; Q672-R727 WeakPolarHBondContact O-CG 3.42Å; Q672-R727 PolarHBondContact O-N 3.41Å
673	S	82.5	Confident	83.5	Confident	71 Å²	71	33.1 Å²	33.1	50%	0.497	18%	0.182	S	C	.	.	P	Polyproline II helix	trans	-65.5	144.3	161.4	46.5	0	0	0	0	110.3
674	M	80.4	Confident	83.9	Confident	51 Å²	51	32.7 Å²	32.7	25%	0.251	18%	0.178	S	C	.	.	P	Polyproline II helix	trans	-59.6	151.4	164.6	-174.9	170.6	68.4	0	0	110	F722 W726 P729	M674-F722 HydrophobicContact SD-CE1 4.16Å; M674-W726 HydrophobicContact CB-CE3 4.13Å; M674-W726 HydrophobicContact CB-CZ3 4.34Å; M674-W726 HydrophobicContact CG-CE3 3.93Å; M674-W726 HydrophobicContact CG-CH2 4.14Å; M674-W726 HydrophobicContact CG-CZ3 3.63Å; M674-W726 HydrophobicContact SD-CE3 4.23Å; M674-W726 HydrophobicContact SD-CZ3 3.87Å; M674-P729 HydrophobicContact CE-CB 3.45Å; M674-P729 VanDerWaalsContact CE-CB 3.45Å; M674-P729 HydrophobicContact SD-CB 3.84Å
675	N	73.8	Confident	84	Confident	82 Å²	82	34.2 Å²	34.2	44%	0.439	19%	0.185	S	C	.	.	P	Polyproline II helix	trans	-55.7	150.7	178.3	-74.4	-3.2	0	0	0	111.8	Y677 G678 D681	N675-Y677 PolarHBondContact O-N 2.9Å; N675-G678 PolarHBondContact O-N 3.16Å; N675-D681 PolarHBondContact ND2-OD2 3.36Å
676	A	64.3	Low	84.3	Confident	88 Å²	88	33.2 Å²	33.2	73%	0.727	18%	0.181	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.4	-12.6	179.8	0	0	0	0	0	114.1
677	Y	70.5	Confident	84.6	Confident	45 Å²	45	33.2 Å²	33.2	18%	0.176	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.4	10.7	178.1	-36.1	-47.8	0	0	0	111.8	E540 L544 W558 F562 N675 L679 F680	E540-Y677 WeakPolarHBondContact OE1-CE2 3.4Å; L544-Y677 HydrophobicContact CD1-CE1 4.47Å; L544-Y677 HydrophobicContact CD1-CE2 4.46Å; L544-Y677 WeakPolarHBondContact CD1-OH 3.11Å; L544-Y677 HydrophobicContact CD2-CD1 4.16Å; L544-Y677 HydrophobicContact CD2-CE1 3.37Å; L544-Y677 HydrophobicContact CD2-CE2 4.4Å; W558-Y677 AromaticContact CH2-CD1 3.81Å; W558-Y677 HydrophobicContact CH2-CD1 3.81Å; W558-Y677 HydrophobicContact CH2-CE1 4.08Å; W558-Y677 HydrophobicContact CZ3-CD1 4.3Å; F562-Y677 HydrophobicContact CE1-CD1 4.3Å; F562-Y677 HydrophobicContact CE1-CD2 4.18Å; F562-Y677 AromaticContact CE1-CG 3.88Å; F562-Y677 HydrophobicContact CE1-CG 3.88Å; F562-Y677 HydrophobicContact CZ-CD1 4.48Å; F562-Y677 HydrophobicContact CZ-CD2 4.15Å; F562-Y677 HydrophobicContact CZ-CE2 4.47Å; F562-Y677 HydrophobicContact CZ-CG 4.19Å; N675-Y677 PolarHBondContact O-N 2.9Å; Y677-L679 PolarHBondContact O-N 2.96Å; Y677-L679 VanDerWaalsContact O-N 3.15Å; Y677-F680 VanDerWaalsContact O-CB 3.23Å; Y677-F680 WeakPolarHBondContact O-CB 3.44Å; Y677-F680 PolarHBondContact O-N 3.46Å
678	G	77.2	Confident	84.9	Confident	13 Å²	13	29.6 Å²	29.6	13%	0.134	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.8	-112.3	174.7	0	0	0	0	0	113.8	N675	N675-G678 PolarHBondContact O-N 3.16Å
679	L	85.9	Confident	85	Confident	9 Å²	9	29.7 Å²	29.7	5%	0.047	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.6	0	-178	-69.6	166.4	0	0	0	113.8	K316 I317 Y320 Y677 D681 E682 Y683 F722	K316-L679 HydrophobicContact CG-CD1 4.07Å; K316-L679 WeakPolarHBondContact O-CD1 3.46Å; I317-L679 HydrophobicContact CG1-CD1 3.91Å; I317-L679 HydrophobicContact CG1-CD2 4.32Å; I317-L679 HydrophobicContact CG1-CG 4.38Å; Y320-L679 HydrophobicContact CD1-CD2 4.3Å; Y320-L679 HydrophobicContact CG-CD2 4.24Å; Y677-L679 PolarHBondContact O-N 2.96Å; Y677-L679 VanDerWaalsContact O-N 3.15Å; L679-D681 VanDerWaalsContact C-N 3.33Å; L679-D681 PolarHBondContact O-N 3.31Å; L679-E682 HydrophobicContact CD2-CG 4.4Å; L679-E682 PolarHBondContact O-N 3.01Å; L679-E682 VanDerWaalsContact O-N 3.15Å; L679-Y683 HydrophobicContact CB-CD2 3.92Å; L679-Y683 HydrophobicContact CB-CE2 3.96Å; L679-Y683 HydrophobicContact CD1-CE2 4.25Å; L679-Y683 WeakPolarHBondContact O-CD2 3.12Å; L679-Y683 PolarHBondContact O-N 3.1Å; L679-Y683 VanDerWaalsContact O-N 3.14Å; L679-F722 HydrophobicContact CD2-CE2 4.43Å; L679-F722 HydrophobicContact CD2-CZ 3.66Å
680	F	87.9	Confident	85.3	Confident	10 Å²	10	27.7 Å²	27.7	4%	0.044	16%	0.16	C	C	.	.	H	α-helix	trans	-52.8	-49.4	-174.4	169.5	-95.3	0	0	0	112.5	F562 T563 M566 Y677 E682 L684 W740	F562-F680 HydrophobicContact CD1-CD2 4.36Å; F562-F680 HydrophobicContact CD1-CG 4.41Å; F562-F680 AromaticContact CE1-CD1 3.89Å; F562-F680 HydrophobicContact CE1-CD1 3.89Å; F562-F680 HydrophobicContact CE1-CD2 4.29Å; F562-F680 HydrophobicContact CE1-CE1 4.18Å; F562-F680 AromaticContact CE1-CG 3.98Å; F562-F680 HydrophobicContact CE1-CG 3.98Å; T563-F680 HydrophobicContact CG2-CD2 4.23Å; T563-F680 HydrophobicContact CG2-CE2 4.02Å; T563-F680 WeakPolarHBondContact OG1-CD2 3.02Å; M566-F680 HydrophobicContact CB-CE1 4.2Å; M566-F680 HydrophobicContact CB-CE2 4.2Å; M566-F680 HydrophobicContact CB-CZ 3.55Å; M566-F680 HydrophobicContact CG-CE1 3.55Å; M566-F680 HydrophobicContact CG-CE2 4.34Å; M566-F680 HydrophobicContact CG-CZ 3.26Å; Y677-F680 VanDerWaalsContact O-CB 3.23Å; Y677-F680 WeakPolarHBondContact O-CB 3.44Å; Y677-F680 PolarHBondContact O-N 3.46Å; F680-E682 VanDerWaalsContact C-N 3.26Å; F680-E682 PolarHBondContact O-N 2.99Å; F680-L684 HydrophobicContact CE1-CB 4.23Å; F680-L684 HydrophobicContact CE1-CD2 3.75Å; F680-L684 HydrophobicContact CE1-CG 4.48Å; F680-L684 HydrophobicContact CZ-CB 4.02Å; F680-L684 HydrophobicContact CZ-CD1 4.13Å; F680-L684 HydrophobicContact CZ-CD2 3.79Å; F680-L684 HydrophobicContact CZ-CG 4.18Å; F680-L684 VanDerWaalsContact O-CB 3.29Å; F680-L684 WeakPolarHBondContact O-CB 3.19Å; F680-L684 PolarHBondContact O-N 2.57Å; F680-W740 HydrophobicContact CD2-CH2 4.02Å; F680-W740 AromaticContact CD2-CZ2 3.53Å; F680-W740 HydrophobicContact CD2-CZ2 3.53Å; F680-W740 AromaticContact CE2-CH2 3.46Å; F680-W740 HydrophobicContact CE2-CH2 3.46Å; F680-W740 VanDerWaalsContact CE2-CH2 3.46Å; F680-W740 AromaticContact CE2-CZ2 3.49Å; F680-W740 HydrophobicContact CE2-CZ2 3.49Å; F680-W740 VanDerWaalsContact CE2-CZ2 3.49Å; F680-W740 HydrophobicContact CZ-CH2 4.16Å; F680-W740 HydrophobicContact CZ-CZ2 4.45Å
681	D	87.1	Confident	85.5	Confident	40 Å²	40	26.1 Å²	26.1	21%	0.214	15%	0.152	C	C	.	.	H	α-helix	trans	-64	-32.6	-176.7	-60.2	-52.4	0	0	0	112.3	N675 L679 K685	N675-D681 PolarHBondContact ND2-OD2 3.36Å; L679-D681 VanDerWaalsContact C-N 3.33Å; L679-D681 PolarHBondContact O-N 3.31Å; D681-K685 VanDerWaalsContact O-CG 3.29Å; D681-K685 WeakPolarHBondContact O-CG 3.08Å; D681-K685 PolarHBondContact O-N 2.95Å; D681-K685 VanDerWaalsContact O-N 3.1Å
682	E	90	Very high	85.6	Confident	6 Å²	6	25.9 Å²	25.9	3%	0.028	15%	0.15	C	C	.	.	H	α-helix	trans	-74.9	-47.3	-176.6	-41.1	-56.7	-178.5	0	0	111.1	Y320 L679 F680 L684 K685 M686 K721 W726	Y320-E682 HydrophobicContact CE1-CB 4.37Å; Y320-E682 HydrophobicContact CE2-CB 3.76Å; L679-E682 HydrophobicContact CD2-CG 4.4Å; L679-E682 PolarHBondContact O-N 3.01Å; L679-E682 VanDerWaalsContact O-N 3.15Å; F680-E682 VanDerWaalsContact C-N 3.26Å; F680-E682 PolarHBondContact O-N 2.99Å; E682-L684 VanDerWaalsContact C-N 3.34Å; E682-L684 PolarHBondContact O-N 2.85Å; E682-K685 PolarHBondContact O-N 2.9Å; E682-K685 IonicContact OE2-NZ 2.71Å; E682-K685 PolarHBondContact OE2-NZ 3.39Å; E682-M686 WeakPolarHBondContact O-CG 3.26Å; E682-M686 PolarHBondContact O-N 2.95Å; E682-K721 IonicContact OE1-NZ 2.89Å; E682-K721 PolarHBondContact OE1-NZ 3.25Å; E682-K721 IonicContact OE2-NZ 3.51Å; E682-K721 PolarHBondContact OE2-NZ 2.94Å; E682-W726 VanDerWaalsContact OE1-CH2 3.32Å; E682-W726 WeakPolarHBondContact OE1-CH2 3.47Å
683	Y	92.3	Very high	85.9	Confident	13 Å²	13	24.2 Å²	24.2	5%	0.051	14%	0.142	C	C	.	.	H	α-helix	trans	-61.6	-41.2	170.1	-78.7	-74.3	0	0	0	111.6	Y320 W323 L679 K685 M686 I687 I737 W740	Y320-Y683 VanDerWaalsContact CA-OH 3.3Å; Y320-Y683 WeakPolarHBondContact CA-OH 3.04Å; Y320-Y683 AromaticContact CD2-CD1 3.98Å; Y320-Y683 HydrophobicContact CD2-CD1 3.98Å; Y320-Y683 HydrophobicContact CD2-CD2 4.05Å; Y320-Y683 AromaticContact CD2-CE1 3.82Å; Y320-Y683 HydrophobicContact CD2-CE1 3.82Å; Y320-Y683 AromaticContact CD2-CE2 3.89Å; Y320-Y683 HydrophobicContact CD2-CE2 3.89Å; Y320-Y683 HydrophobicContact CD2-CG 4.1Å; Y320-Y683 AromaticContact CD2-CZ 3.78Å; Y320-Y683 HydrophobicContact CE2-CD1 4.48Å; Y320-Y683 HydrophobicContact CE2-CG 4.5Å; Y320-Y683 HydrophobicContact CG-CE2 4.41Å; Y320-Y683 PolarHBondContact N-OH 3.26Å; W323-Y683 HydrophobicContact CD2-CE1 4.41Å; W323-Y683 HydrophobicContact CE3-CD1 4.15Å; W323-Y683 HydrophobicContact CE3-CE1 4.11Å; W323-Y683 HydrophobicContact CZ3-CD1 4.3Å; L679-Y683 HydrophobicContact CB-CD2 3.92Å; L679-Y683 HydrophobicContact CB-CE2 3.96Å; L679-Y683 HydrophobicContact CD1-CE2 4.25Å; L679-Y683 WeakPolarHBondContact O-CD2 3.12Å; L679-Y683 PolarHBondContact O-N 3.1Å; L679-Y683 VanDerWaalsContact O-N 3.14Å; Y683-K685 PolarHBondContact O-N 2.96Å; Y683-M686 PolarHBondContact O-N 3.22Å; Y683-I687 HydrophobicContact CD1-CD1 4.44Å; Y683-I687 VanDerWaalsContact O-CB 3.31Å; Y683-I687 WeakPolarHBondContact O-CB 3.39Å; Y683-I687 WeakPolarHBondContact O-CD1 3.41Å; Y683-I687 WeakPolarHBondContact O-CG1 2.99Å; Y683-I687 PolarHBondContact O-N 3.16Å; Y683-I737 HydrophobicContact CE1-CB 4.09Å; Y683-I737 HydrophobicContact CE1-CG2 3.88Å; Y683-W740 VanDerWaalsContact CB-NE1 3.28Å; Y683-W740 AromaticContact CD1-CD1 3.95Å; Y683-W740 HydrophobicContact CD1-CG 4.43Å; Y683-W740 AromaticContact CD2-CD1 3.95Å; Y683-W740 AromaticContact CD2-NE1 3.69Å; Y683-W740 AromaticContact CG-CD1 3.65Å; Y683-W740 HydrophobicContact CG-CG 4.36Å; Y683-W740 AromaticContact CG-NE1 3.52Å
684	L	90.6	Very high	86.4	Confident	15 Å²	15	20.9 Å²	20.9	8%	0.079	12%	0.119	C	C	.	.	H	α-helix	trans	-57.6	-47.4	179.6	179	68.7	0	0	0	111.9	M566 F567 Q570 F680 E682 M686 I687 L688 W740	M566-L684 HydrophobicContact CG-CD2 4.49Å; F567-L684 HydrophobicContact CD2-CD1 4.49Å; Q570-L684 HydrophobicContact CB-CD1 4.25Å; Q570-L684 HydrophobicContact CG-CD1 4.4Å; Q570-L684 HydrophobicContact CG-CD2 4.03Å; F680-L684 HydrophobicContact CE1-CB 4.23Å; F680-L684 HydrophobicContact CE1-CD2 3.75Å; F680-L684 HydrophobicContact CE1-CG 4.48Å; F680-L684 HydrophobicContact CZ-CB 4.02Å; F680-L684 HydrophobicContact CZ-CD1 4.13Å; F680-L684 HydrophobicContact CZ-CD2 3.79Å; F680-L684 HydrophobicContact CZ-CG 4.18Å; F680-L684 VanDerWaalsContact O-CB 3.29Å; F680-L684 WeakPolarHBondContact O-CB 3.19Å; F680-L684 PolarHBondContact O-N 2.57Å; E682-L684 VanDerWaalsContact C-N 3.34Å; E682-L684 PolarHBondContact O-N 2.85Å; L684-M686 PolarHBondContact O-N 3.18Å; L684-I687 PolarHBondContact O-N 3.25Å; L684-L688 HydrophobicContact CD1-CD1 3.86Å; L684-L688 HydrophobicContact CD1-CG 4.1Å; L684-L688 HydrophobicContact CG-CD1 3.85Å; L684-L688 HydrophobicContact CG-CG 4.43Å; L684-L688 WeakPolarHBondContact O-CB 3.3Å; L684-L688 VanDerWaalsContact O-CG 3.26Å; L684-L688 WeakPolarHBondContact O-CG 3.43Å; L684-L688 PolarHBondContact O-N 2.82Å; L684-W740 HydrophobicContact CB-CH2 3.86Å; L684-W740 HydrophobicContact CB-CZ2 4.38Å; L684-W740 HydrophobicContact CD1-CH2 4.03Å; L684-W740 HydrophobicContact CD1-CZ3 4.47Å
685	K	88.9	Confident	87	Confident	38 Å²	38	18.4 Å²	18.4	17%	0.165	11%	0.107	C	C	.	.	H	α-helix	trans	-54.5	-54.8	176.6	-69.9	161.4	-165.3	171.9	0	111.1	E635 D681 E682 Y683 I687 L688 Q689	E635-K685 IonicContact OE2-NZ 2.74Å; E635-K685 PolarHBondContact OE2-NZ 3.37Å; D681-K685 VanDerWaalsContact O-CG 3.29Å; D681-K685 WeakPolarHBondContact O-CG 3.08Å; D681-K685 PolarHBondContact O-N 2.95Å; D681-K685 VanDerWaalsContact O-N 3.1Å; E682-K685 PolarHBondContact O-N 2.9Å; E682-K685 IonicContact OE2-NZ 2.71Å; E682-K685 PolarHBondContact OE2-NZ 3.39Å; Y683-K685 PolarHBondContact O-N 2.96Å; K685-I687 VanDerWaalsContact C-N 3.31Å; K685-I687 PolarHBondContact O-N 3.38Å; K685-L688 PolarHBondContact O-N 2.86Å; K685-Q689 WeakPolarHBondContact O-CB 3.37Å; K685-Q689 PolarHBondContact O-N 2.85Å
686	M	91.9	Very high	87.8	Confident	0 Å²	0	14.5 Å²	14.5	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-67.2	-31	-173.6	-63.6	-64	102.9	0	0	113	W323 L324 E682 Y683 L684 F690 E714	W323-M686 HydrophobicContact CH2-CB 3.56Å; W323-M686 HydrophobicContact CZ3-CB 3.45Å; W323-M686 VanDerWaalsContact CZ3-CB 3.45Å; W323-M686 HydrophobicContact CZ3-CG 4.07Å; L324-M686 HydrophobicContact CD1-CG 3.99Å; L324-M686 HydrophobicContact CD1-SD 3.49Å; L324-M686 WeakPolarHBondContact CD1-SD 3.37Å; E682-M686 WeakPolarHBondContact O-CG 3.26Å; E682-M686 PolarHBondContact O-N 2.95Å; Y683-M686 PolarHBondContact O-N 3.22Å; L684-M686 PolarHBondContact O-N 3.18Å; M686-F690 PolarHBondContact O-N 3.38Å; M686-E714 HydrophobicContact CE-CB 4.48Å; M686-E714 HydrophobicContact CE-CG 3.71Å; M686-E714 WeakPolarHBondContact CE-OE1 3.08Å; M686-E714 HydrophobicContact SD-CG 4.28Å
687	I	93.6	Very high	89.1	Confident	0 Å²	0	10.3 Å²	10.3	0%	0	5%	0.051	C	C	.	.	H	α-helix	trans	-81.2	-34.9	179.8	-68.1	168.8	0	0	0	111.4	W323 F567 Y683 L684 K685 Q689 F690 G691 W740 I743 L744 I747	W323-I687 HydrophobicContact CH2-CG1 3.93Å; W323-I687 HydrophobicContact CZ2-CG1 4.24Å; F567-I687 HydrophobicContact CD2-CG2 4.44Å; F567-I687 HydrophobicContact CE2-CG2 4.18Å; Y683-I687 HydrophobicContact CD1-CD1 4.44Å; Y683-I687 VanDerWaalsContact O-CB 3.31Å; Y683-I687 WeakPolarHBondContact O-CB 3.39Å; Y683-I687 WeakPolarHBondContact O-CD1 3.41Å; Y683-I687 WeakPolarHBondContact O-CG1 2.99Å; Y683-I687 PolarHBondContact O-N 3.16Å; L684-I687 PolarHBondContact O-N 3.25Å; K685-I687 VanDerWaalsContact C-N 3.31Å; K685-I687 PolarHBondContact O-N 3.38Å; I687-Q689 VanDerWaalsContact C-N 3.33Å; I687-F690 PolarHBondContact O-N 2.95Å; I687-G691 PolarHBondContact O-N 3.25Å; I687-W740 HydrophobicContact CD1-CB 3.62Å; I687-W740 HydrophobicContact CD1-CD2 3.37Å; I687-W740 HydrophobicContact CD1-CE3 3.21Å; I687-W740 HydrophobicContact CD1-CG 3.6Å; I687-W740 HydrophobicContact CD1-CZ3 3.88Å; I687-W740 HydrophobicContact CG1-CE3 4.45Å; I687-W740 HydrophobicContact CG2-CE3 4.4Å; I687-W740 HydrophobicContact CG2-CZ3 4.45Å; I687-I743 HydrophobicContact CG2-CG2 3.74Å; I687-L744 HydrophobicContact CB-CD2 4.5Å; I687-L744 HydrophobicContact CG1-CD2 4.03Å; I687-L744 HydrophobicContact CG1-CG 4.28Å; I687-L744 HydrophobicContact CG2-CD2 4.14Å; I687-L744 HydrophobicContact CG2-CG 4.49Å; I687-I747 HydrophobicContact CG2-CD1 3.75Å
688	L	90.1	Very high	90.1	Very high	8 Å²	8	8.3 Å²	8.3	4%	0.042	4%	0.044	C	C	.	.	H	α-helix	trans	-64.4	-38.7	166.8	-68	170.4	0	0	0	111.3	F567 Q570 L574 L684 K685 G691 F692	F567-L688 HydrophobicContact CE2-CD2 4.38Å; Q570-L688 HydrophobicContact CB-CD1 4.28Å; L574-L688 HydrophobicContact CD2-CB 4.16Å; L574-L688 HydrophobicContact CD2-CD1 4.14Å; L574-L688 HydrophobicContact CD2-CD2 4.05Å; L574-L688 HydrophobicContact CD2-CG 4.35Å; L684-L688 HydrophobicContact CD1-CD1 3.86Å; L684-L688 HydrophobicContact CD1-CG 4.1Å; L684-L688 HydrophobicContact CG-CD1 3.85Å; L684-L688 HydrophobicContact CG-CG 4.43Å; L684-L688 WeakPolarHBondContact O-CB 3.3Å; L684-L688 VanDerWaalsContact O-CG 3.26Å; L684-L688 WeakPolarHBondContact O-CG 3.43Å; L684-L688 PolarHBondContact O-N 2.82Å; K685-L688 PolarHBondContact O-N 2.86Å; L688-G691 WeakPolarHBondContact O-CA 3.47Å; L688-G691 PolarHBondContact O-N 2.99Å; L688-F692 PolarHBondContact O-N 3.44Å
689	Q	91.8	Very high	90.6	Very high	4 Å²	4	7.7 Å²	7.7	2%	0.019	4%	0.038	C	C	.	.	H	α-helix	trans	-63.2	-44.1	172.8	-168.9	-167.9	-65.8	0	0	111.9	Y327 K685 I687 G691 F692 T693 A707 N710 N711	Y327-Q689 PolarHBondContact OH-NE2 3.47Å; K685-Q689 WeakPolarHBondContact O-CB 3.37Å; K685-Q689 PolarHBondContact O-N 2.85Å; I687-Q689 VanDerWaalsContact C-N 3.33Å; Q689-G691 VanDerWaalsContact C-N 3.26Å; Q689-G691 PolarHBondContact O-N 3.39Å; Q689-F692 PolarHBondContact O-N 2.97Å; Q689-F692 VanDerWaalsContact O-N 3.12Å; Q689-T693 WeakPolarHBondContact O-CG2 3.35Å; Q689-T693 PolarHBondContact O-N 3.48Å; Q689-T693 PolarHBondContact O-OG1 2.96Å; Q689-A707 HydrophobicContact CG-CB 4.31Å; Q689-A707 PolarHBondContact NE2-O 3.43Å; Q689-N710 PolarHBondContact OE1-ND2 3.4Å; Q689-N711 PolarHBondContact NE2-OD1 3.39Å
690	F	93	Very high	90.7	Very high	0 Å²	0	8 Å²	8	0%	0	4%	0.039	C	C	.	.	H	α-helix	trans	-57	-41.9	173	178.1	-97	0	0	0	111.3	Y327 W407 A408 F411 M686 I687 T693 T694 L744 I747	Y327-F690 AromaticContact CE2-CD2 3.87Å; Y327-F690 HydrophobicContact CE2-CD2 3.87Å; Y327-F690 WeakPolarHBondContact OH-CA 3.33Å; Y327-F690 PolarHBondContact OH-N 2.97Å; W407-F690 HydrophobicContact CH2-CD2 4.4Å; W407-F690 HydrophobicContact CH2-CE2 4.05Å; W407-F690 HydrophobicContact CZ3-CD2 4.39Å; W407-F690 AromaticContact CZ3-CE2 3.78Å; W407-F690 HydrophobicContact CZ3-CE2 3.78Å; A408-F690 HydrophobicContact CB-CZ 4.24Å; F411-F690 AromaticContact CD1-CE2 3.63Å; F411-F690 HydrophobicContact CD1-CE2 3.63Å; F411-F690 HydrophobicContact CD1-CZ 4.08Å; F411-F690 HydrophobicContact CE1-CD2 4.12Å; F411-F690 AromaticContact CE1-CE2 3.61Å; F411-F690 HydrophobicContact CE1-CE2 3.61Å; F411-F690 HydrophobicContact CE1-CZ 4.16Å; M686-F690 PolarHBondContact O-N 3.38Å; I687-F690 PolarHBondContact O-N 2.95Å; F690-T693 WeakPolarHBondContact CA-OG1 3.48Å; F690-T693 PolarHBondContact O-N 3.48Å; F690-T693 PolarHBondContact O-OG1 3.07Å; F690-T694 HydrophobicContact CD2-CG2 4.38Å; F690-T694 HydrophobicContact CE1-CG2 4.22Å; F690-T694 HydrophobicContact CE2-CG2 4.03Å; F690-T694 HydrophobicContact CZ-CG2 3.95Å; F690-T694 WeakPolarHBondContact O-CG2 3.41Å; F690-T694 PolarHBondContact O-N 2.66Å; F690-T694 PolarHBondContact O-OG1 2.7Å; F690-L744 HydrophobicContact CB-CD2 4.05Å; F690-L744 HydrophobicContact CD1-CD2 3.3Å; F690-L744 HydrophobicContact CD2-CD2 4.34Å; F690-L744 HydrophobicContact CE1-CD2 3.73Å; F690-L744 HydrophobicContact CG-CD2 3.64Å; F690-L744 HydrophobicContact CZ-CD2 4.4Å; F690-I747 HydrophobicContact CD1-CB 4.37Å; F690-I747 HydrophobicContact CD1-CD1 4.5Å; F690-I747 HydrophobicContact CD1-CG2 3.7Å; F690-I747 HydrophobicContact CE1-CB 4.29Å; F690-I747 HydrophobicContact CE1-CG2 3.75Å
691	G	92.1	Very high	90.9	Very high	1 Å²	1	7.6 Å²	7.6	1%	0.01	4%	0.037	C	C	.	.	H	α-helix	trans	-53	-52.6	170.6	0	0	0	0	0	112.9	I687 L688 Q689 T693 T694 I695	I687-G691 PolarHBondContact O-N 3.25Å; L688-G691 WeakPolarHBondContact O-CA 3.47Å; L688-G691 PolarHBondContact O-N 2.99Å; Q689-G691 VanDerWaalsContact C-N 3.26Å; Q689-G691 PolarHBondContact O-N 3.39Å; G691-T693 PolarHBondContact O-N 2.95Å; G691-T694 PolarHBondContact O-N 3.29Å; G691-T694 PolarHBondContact O-OG1 3.35Å; G691-I695 VanDerWaalsContact O-CB 3.3Å; G691-I695 WeakPolarHBondContact O-CB 3.24Å; G691-I695 WeakPolarHBondContact O-CG1 3.25Å; G691-I695 PolarHBondContact O-N 2.8Å
692	F	88.2	Confident	91.1	Very high	15 Å²	15	7 Å²	7	7%	0.066	3%	0.034	C	C	.	.	H	α-helix	trans	-60.6	-40.4	176.5	-68.5	-46.6	0	0	0	113.6	L574 N575 I623 L688 Q689 T694	L574-F692 HydrophobicContact CD1-CZ 3.9Å; L574-F692 HydrophobicContact CD2-CE1 4.18Å; L574-F692 HydrophobicContact CD2-CE2 3.75Å; L574-F692 HydrophobicContact CD2-CZ 3.35Å; L574-F692 HydrophobicContact CG-CE1 4.14Å; L574-F692 HydrophobicContact CG-CE2 4.35Å; L574-F692 HydrophobicContact CG-CZ 3.49Å; L574-F692 VanDerWaalsContact CG-CZ 3.49Å; N575-F692 VanDerWaalsContact OD1-CE1 3.31Å; N575-F692 WeakPolarHBondContact OD1-CE1 3.33Å; I623-F692 HydrophobicContact CG2-CE1 4.14Å; I623-F692 HydrophobicContact CG2-CE2 3.93Å; I623-F692 HydrophobicContact CG2-CZ 3.4Å; I623-F692 VanDerWaalsContact CG2-CZ 3.4Å; L688-F692 PolarHBondContact O-N 3.44Å; Q689-F692 PolarHBondContact O-N 2.97Å; Q689-F692 VanDerWaalsContact O-N 3.12Å; F692-T694 PolarHBondContact O-N 2.87Å
693	T	91.1	Very high	91.2	Very high	0 Å²	0	6.8 Å²	6.8	0%	0	3%	0.032	C	C	.	.	H	α-helix	trans	-71.1	-10.2	179.6	59.6	0	0	0	0	114.6	M404 Q689 F690 G691 V697 A703 A707	M404-T693 WeakPolarHBondContact CE-O 3.34Å; Q689-T693 WeakPolarHBondContact O-CG2 3.35Å; Q689-T693 PolarHBondContact O-N 3.48Å; Q689-T693 PolarHBondContact O-OG1 2.96Å; F690-T693 WeakPolarHBondContact CA-OG1 3.48Å; F690-T693 PolarHBondContact O-N 3.48Å; F690-T693 PolarHBondContact O-OG1 3.07Å; G691-T693 PolarHBondContact O-N 2.95Å; T693-V697 WeakPolarHBondContact O-CB 3.27Å; T693-V697 WeakPolarHBondContact O-CG2 3.44Å; T693-A703 HydrophobicContact CG2-CB 4.48Å; T693-A707 HydrophobicContact CG2-CB 3.35Å
694	T	93.6	Very high	91.3	Very high	0 Å²	0	6.1 Å²	6.1	0%	0	3%	0.03	C	C	.	.	H	α-helix	trans	-119.6	-53.3	-175.3	53.2	0	0	0	0	112.3	W407 A408 F690 G691 F692 F696 V697 S751 N755	W407-T694 HydrophobicContact CZ3-CG2 4.15Å; A408-T694 HydrophobicContact CB-CG2 4.32Å; F690-T694 HydrophobicContact CD2-CG2 4.38Å; F690-T694 HydrophobicContact CE1-CG2 4.22Å; F690-T694 HydrophobicContact CE2-CG2 4.03Å; F690-T694 HydrophobicContact CZ-CG2 3.95Å; F690-T694 WeakPolarHBondContact O-CG2 3.41Å; F690-T694 PolarHBondContact O-N 2.66Å; F690-T694 PolarHBondContact O-OG1 2.7Å; G691-T694 PolarHBondContact O-N 3.29Å; G691-T694 PolarHBondContact O-OG1 3.35Å; F692-T694 PolarHBondContact O-N 2.87Å; T694-F696 PolarHBondContact O-N 3.44Å; T694-V697 WeakPolarHBondContact O-CG1 3.34Å; T694-V697 PolarHBondContact O-N 2.71Å; T694-S751 PolarHBondContact O-OG 3.09Å; T694-S751 VanDerWaalsContact O-OG 3.07Å; T694-N755 PolarHBondContact O-ND2 3.09Å
695	I	93.3	Very high	91.5	Very high	0 Å²	0	7.7 Å²	7.7	0%	0	4%	0.038	C	C	.	.	H	α-helix	trans	-62.7	-38.2	-167.4	-67.5	175.3	0	0	0	113.6	F571 F579 G691 I747 L750 T754 N755	F571-I695 HydrophobicContact CE2-CD1 3.51Å; F571-I695 HydrophobicContact CZ-CD1 3.72Å; F579-I695 HydrophobicContact CE1-CG2 4.32Å; F579-I695 HydrophobicContact CZ-CG2 4.1Å; G691-I695 VanDerWaalsContact O-CB 3.3Å; G691-I695 WeakPolarHBondContact O-CB 3.24Å; G691-I695 WeakPolarHBondContact O-CG1 3.25Å; G691-I695 PolarHBondContact O-N 2.8Å; I695-I747 HydrophobicContact CD1-CG2 4.08Å; I695-I747 HydrophobicContact CG1-CG2 4.14Å; I695-L750 HydrophobicContact CD1-CD2 4.38Å; I695-T754 HydrophobicContact CG2-CG2 3.62Å; I695-T754 WeakPolarHBondContact O-CB 3.48Å; I695-T754 VanDerWaalsContact O-CG2 3.27Å; I695-T754 WeakPolarHBondContact O-CG2 3.4Å; I695-N755 PolarHBondContact O-ND2 3.48Å
696	F	90.1	Very high	91.6	Very high	0 Å²	0	8.9 Å²	8.9	0%	0	5%	0.046	C	C	.	.	T	Hydrogen-bonded Turn	trans	-118.4	20.9	-176.6	-57.6	-78.6	0	0	0	112.5	N575 T578 F579 A582 L616 M620 T694 A698 A699 T754 V758	N575-F696 HydrophobicContact CB-CE2 4.49Å; T578-F696 HydrophobicContact CG2-CD1 4.21Å; T578-F696 HydrophobicContact CG2-CD2 3.97Å; T578-F696 HydrophobicContact CG2-CE1 3.92Å; T578-F696 HydrophobicContact CG2-CE2 3.67Å; T578-F696 HydrophobicContact CG2-CG 4.24Å; T578-F696 HydrophobicContact CG2-CZ 3.64Å; F579-F696 AromaticContact CD1-CE1 3.84Å; F579-F696 HydrophobicContact CD1-CE1 3.84Å; F579-F696 AromaticContact CD1-CZ 3.68Å; F579-F696 HydrophobicContact CD1-CZ 3.68Å; F579-F696 HydrophobicContact CD2-CZ 4.25Å; F579-F696 AromaticContact CE1-CE1 3.9Å; F579-F696 HydrophobicContact CE1-CE1 3.9Å; F579-F696 AromaticContact CE1-CZ 3.62Å; F579-F696 HydrophobicContact CE1-CZ 3.62Å; F579-F696 HydrophobicContact CE2-CZ 4.19Å; F579-F696 HydrophobicContact CG-CE1 4.48Å; F579-F696 HydrophobicContact CG-CZ 4Å; F579-F696 AromaticContact CZ-CZ 3.88Å; F579-F696 HydrophobicContact CZ-CZ 3.88Å; A582-F696 HydrophobicContact CB-CE1 4.38Å; L616-F696 HydrophobicContact CD1-CD1 4.33Å; M620-F696 HydrophobicContact CE-CB 3.55Å; M620-F696 HydrophobicContact SD-CB 3.37Å; M620-F696 WeakPolarHBondContact SD-CB 3.41Å; M620-F696 HydrophobicContact SD-CG 4.2Å; T694-F696 PolarHBondContact O-N 3.44Å; F696-A698 PolarHBondContact O-N 3.36Å; F696-A699 PolarHBondContact O-N 2.97Å; F696-T754 HydrophobicContact CD1-CG2 3.98Å; F696-T754 HydrophobicContact CE1-CG2 3.86Å; F696-V758 HydrophobicContact CD1-CG2 4.37Å
697	V	92.2	Very high	91.7	Very high	0 Å²	0	8.9 Å²	8.9	0%	0	5%	0.046	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-23.8	-169.5	73	0	0	0	0	113.9	F400 M404 T693 T694 A699 F700 N755	F400-V697 HydrophobicContact CD1-CG2 4.03Å; F400-V697 HydrophobicContact CE1-CG2 3.55Å; F400-V697 HydrophobicContact CZ-CG2 4.46Å; M404-V697 HydrophobicContact CB-CG1 3.73Å; M404-V697 HydrophobicContact CE-CG2 4.37Å; M404-V697 HydrophobicContact CG-CG1 3.96Å; M404-V697 HydrophobicContact CG-CG2 3.91Å; T693-V697 WeakPolarHBondContact O-CB 3.27Å; T693-V697 WeakPolarHBondContact O-CG2 3.44Å; T694-V697 WeakPolarHBondContact O-CG1 3.34Å; T694-V697 PolarHBondContact O-N 2.71Å; V697-A699 PolarHBondContact O-N 2.95Å; V697-F700 CarbonylContact O-C 3.59Å; V697-F700 PolarHBondContact O-N 2.97Å; V697-N755 PolarHBondContact N-OD1 3.32Å
698	A	90.3	Very high	91.7	Very high	3 Å²	3	9.8 Å²	9.8	3%	0.025	5%	0.051	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-26.6	170.2	0	0	0	0	0	113.9	A401 F696 N755 V758 I759	A401-A698 HydrophobicContact CB-CB 4.15Å; F696-A698 PolarHBondContact O-N 3.36Å; A698-N755 HydrophobicContact CB-CB 4.34Å; A698-N755 VanDerWaalsContact CB-OD1 3.31Å; A698-N755 WeakPolarHBondContact CB-OD1 3.23Å; A698-N755 PolarHBondContact N-OD1 2.84Å; A698-V758 HydrophobicContact CB-CG1 4.13Å; A698-I759 HydrophobicContact CB-CD1 3.94Å; A698-I759 HydrophobicContact CB-CG1 3.72Å
699	A	88.8	Confident	91.8	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	7%	0.07	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.3	-20.1	178.5	0	0	0	0	0	113.6	L613 L616 M620 F696 V697 V758	L613-A699 HydrophobicContact CG-CB 4.45Å; L616-A699 HydrophobicContact CD2-CB 3.62Å; L616-A699 HydrophobicContact CG-CB 3.97Å; M620-A699 HydrophobicContact SD-CB 4.23Å; F696-A699 PolarHBondContact O-N 2.97Å; V697-A699 PolarHBondContact O-N 2.95Å; A699-V758 HydrophobicContact CB-CG1 4.21Å
700	F	89	Confident	91.8	Very high	16 Å²	16	14 Å²	14	7%	0.07	7%	0.072	C	C	.	.			trans	-147.3	85.5	-179	-171.3	-120.3	0	0	0	112.7	F392 C617 M620 M624 V697 L702 A703 L706	F392-F700 HydrophobicContact CD1-CD2 4.29Å; F392-F700 AromaticContact CE1-CD2 3.87Å; F392-F700 HydrophobicContact CE1-CD2 3.87Å; F392-F700 AromaticContact CE1-CE2 3.9Å; F392-F700 HydrophobicContact CE1-CE2 3.9Å; F392-F700 HydrophobicContact CZ-CD2 4.24Å; F392-F700 HydrophobicContact CZ-CE2 4.05Å; C617-F700 VanDerWaalsContact SG-CD2 3.52Å; M620-F700 HydrophobicContact CE-CB 3.83Å; M620-F700 HydrophobicContact SD-CB 4.27Å; M624-F700 HydrophobicContact CE-CD1 4.21Å; M624-F700 HydrophobicContact CE-CE1 3.73Å; V697-F700 CarbonylContact O-C 3.59Å; V697-F700 PolarHBondContact O-N 2.97Å; F700-L702 HydrophobicContact CE1-CB 3.96Å; F700-L702 HydrophobicContact CE2-CB 4Å; F700-L702 HydrophobicContact CE2-CD1 4.41Å; F700-L702 HydrophobicContact CZ-CB 3.66Å; F700-L702 HydrophobicContact CZ-CD1 4.46Å; F700-L702 PolarHBondContact O-N 3.46Å; F700-L702 VanDerWaalsContact O-N 3.08Å; F700-A703 HydrophobicContact CD1-CB 3.93Å; F700-A703 WeakPolarHBondContact O-CB 3.31Å; F700-A703 PolarHBondContact O-N 3.19Å; F700-L706 HydrophobicContact CE1-CD1 4.07Å; F700-L706 HydrophobicContact CZ-CD1 4.18Å
701	P	91.4	Very high	91.8	Very high	1 Å²	1	14 Å²	14	1%	0.006	7%	0.072	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-20.1	-177.9	-27.3	35.5	0	0	0	115.9	G338 V341 T397 F400 A703 P704	G338-P701 WeakPolarHBondContact CA-O 3.14Å; V341-P701 HydrophobicContact CG1-CB 4.15Å; V341-P701 HydrophobicContact CG1-CG 4.14Å; T397-P701 HydrophobicContact CG2-CG 3.55Å; F400-P701 HydrophobicContact CD1-CB 3.81Å; F400-P701 HydrophobicContact CD1-CG 4.37Å; F400-P701 HydrophobicContact CE1-CB 3.93Å; F400-P701 WeakPolarHBondContact CE1-O 3.4Å; P701-A703 VanDerWaalsContact C-N 3.27Å; P701-A703 PolarHBondContact O-N 3.26Å; P701-P704 WeakPolarHBondContact O-CD 3.2Å
702	L	91.2	Very high	91.8	Very high	28 Å²	28	16.6 Å²	16.6	15%	0.147	9%	0.085	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80	-2.4	177	-65.7	178.7	0	0	0	113.6	L339 F342 F700 L705 L706	L339-L702 HydrophobicContact CD1-CD2 4.37Å; F342-L702 HydrophobicContact CB-CD2 3.75Å; F342-L702 HydrophobicContact CB-CG 4.15Å; F342-L702 HydrophobicContact CD1-CD1 4.26Å; F342-L702 HydrophobicContact CD1-CD2 4.2Å; F342-L702 HydrophobicContact CD2-CD1 3.65Å; F342-L702 HydrophobicContact CD2-CD2 4.26Å; F342-L702 HydrophobicContact CD2-CG 3.86Å; F342-L702 HydrophobicContact CE1-CD1 4.3Å; F342-L702 HydrophobicContact CE2-CD1 3.68Å; F342-L702 HydrophobicContact CE2-CG 4.4Å; F342-L702 HydrophobicContact CG-CD1 3.94Å; F342-L702 HydrophobicContact CG-CD2 3.82Å; F342-L702 HydrophobicContact CG-CG 3.95Å; F342-L702 HydrophobicContact CZ-CD1 4.01Å; F700-L702 HydrophobicContact CE1-CB 3.96Å; F700-L702 HydrophobicContact CE2-CB 4Å; F700-L702 HydrophobicContact CE2-CD1 4.41Å; F700-L702 HydrophobicContact CZ-CB 3.66Å; F700-L702 HydrophobicContact CZ-CD1 4.46Å; F700-L702 PolarHBondContact O-N 3.46Å; F700-L702 VanDerWaalsContact O-N 3.08Å; L702-L705 HydrophobicContact CD2-CD2 4.2Å; L702-L705 PolarHBondContact O-N 2.98Å; L702-L705 VanDerWaalsContact O-N 3.08Å; L702-L706 PolarHBondContact O-N 3.46Å
703	A	92.1	Very high	91.9	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-52.8	-46.9	179.8	0	0	0	0	0	113.6	M624 T693 F700 P701 L705 L706 A707	M624-A703 HydrophobicContact CE-CB 4.41Å; M624-A703 HydrophobicContact SD-CB 4.41Å; T693-A703 HydrophobicContact CG2-CB 4.48Å; F700-A703 HydrophobicContact CD1-CB 3.93Å; F700-A703 WeakPolarHBondContact O-CB 3.31Å; F700-A703 PolarHBondContact O-N 3.19Å; P701-A703 VanDerWaalsContact C-N 3.27Å; P701-A703 PolarHBondContact O-N 3.26Å; A703-L705 VanDerWaalsContact C-N 3.28Å; A703-L705 PolarHBondContact O-N 2.82Å; A703-L706 PolarHBondContact O-N 3Å; A703-A707 VanDerWaalsContact O-CB 3.29Å; A703-A707 WeakPolarHBondContact O-CB 3.16Å; A703-A707 PolarHBondContact O-N 3.28Å
704	P	94.4	Very high	91.9	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-67.6	-24.4	179.8	-22.5	37.5	0	0	0	113.9	L331 A334 F400 M404 P701 L708	L331-P704 HydrophobicContact CD2-CB 4.05Å; A334-P704 HydrophobicContact CB-CB 3.84Å; A334-P704 HydrophobicContact CB-CG 4.25Å; F400-P704 HydrophobicContact CZ-CG 4.14Å; M404-P704 HydrophobicContact CE-CG 3.77Å; M404-P704 HydrophobicContact SD-CG 4.15Å; P701-P704 WeakPolarHBondContact O-CD 3.2Å; P704-L708 VanDerWaalsContact O-CB 3.23Å; P704-L708 WeakPolarHBondContact O-CB 3.46Å; P704-L708 PolarHBondContact O-N 3.36Å
705	L	94.1	Very high	91.8	Very high	48 Å²	48	19.8 Å²	19.8	25%	0.251	10%	0.102	S	C	.	.	H	α-helix	trans	-73.6	-46.2	177.3	178.5	62.8	0	0	0	111.5	A335 L339 L702 A703 A707 L708 I709	A335-L705 HydrophobicContact CB-CB 4.07Å; A335-L705 HydrophobicContact CB-CD1 4.11Å; L339-L705 HydrophobicContact CD1-CD2 4.43Å; L702-L705 HydrophobicContact CD2-CD2 4.2Å; L702-L705 PolarHBondContact O-N 2.98Å; L702-L705 VanDerWaalsContact O-N 3.08Å; A703-L705 VanDerWaalsContact C-N 3.28Å; A703-L705 PolarHBondContact O-N 2.82Å; L705-A707 VanDerWaalsContact C-N 3.34Å; L705-L708 PolarHBondContact O-N 3.39Å; L705-I709 HydrophobicContact CD1-CD1 4.39Å; L705-I709 HydrophobicContact CG-CD1 4.32Å; L705-I709 WeakPolarHBondContact O-CG1 3.28Å; L705-I709 PolarHBondContact O-N 3.16Å
706	L	92.3	Very high	91.7	Very high	62 Å²	62	20.1 Å²	20.1	33%	0.325	10%	0.104	S	C	.	.	H	α-helix	trans	-67.8	-36.6	176.2	-62.6	-175.5	0	0	0	111.3	M624 V625 F700 L702 A703 I709 N710	M624-L706 HydrophobicContact CE-CB 3.65Å; M624-L706 HydrophobicContact CE-CD1 3.64Å; M624-L706 HydrophobicContact CE-CG 4.17Å; M624-L706 HydrophobicContact SD-CB 4.5Å; V625-L706 HydrophobicContact CG2-CD1 4.1Å; F700-L706 HydrophobicContact CE1-CD1 4.07Å; F700-L706 HydrophobicContact CZ-CD1 4.18Å; L702-L706 PolarHBondContact O-N 3.46Å; A703-L706 PolarHBondContact O-N 3Å; L706-I709 HydrophobicContact CD2-CD1 4.43Å; L706-I709 PolarHBondContact O-N 3.02Å; L706-N710 PolarHBondContact O-N 3.44Å
707	A	93.1	Very high	91.8	Very high	1 Å²	1	20.3 Å²	20.3	1%	0.008	11%	0.105	C	C	.	.	H	α-helix	trans	-61.2	-42	170.1	0	0	0	0	0	113.3	L331 Q689 T693 A703 L705 N710 N711	L331-A707 HydrophobicContact CD1-CB 4.01Å; L331-A707 HydrophobicContact CD2-CB 4.4Å; Q689-A707 HydrophobicContact CG-CB 4.31Å; Q689-A707 PolarHBondContact NE2-O 3.43Å; T693-A707 HydrophobicContact CG2-CB 3.35Å; A703-A707 VanDerWaalsContact O-CB 3.29Å; A703-A707 WeakPolarHBondContact O-CB 3.16Å; A703-A707 PolarHBondContact O-N 3.28Å; L705-A707 VanDerWaalsContact C-N 3.34Å; A707-N710 PolarHBondContact O-N 3.3Å; A707-N711 PolarHBondContact O-N 3.34Å; A707-N711 PolarHBondContact O-OD1 2.96Å
708	L	93.9	Very high	91.7	Very high	19 Å²	19	20.3 Å²	20.3	10%	0.099	11%	0.105	C	C	.	.	H	α-helix	trans	-63.2	-45.5	176.2	176.8	66.4	0	0	0	111.5	T328 L331 F332 A335 P704 L705 N710 N711 I712	T328-L708 HydrophobicContact CG2-CD1 3.89Å; T328-L708 WeakPolarHBondContact O-CD1 3.37Å; L331-L708 HydrophobicContact CB-CB 4.26Å; L331-L708 HydrophobicContact CB-CD1 4.08Å; F332-L708 HydrophobicContact CD2-CD2 4.17Å; A335-L708 HydrophobicContact CB-CB 4.38Å; A335-L708 HydrophobicContact CB-CD2 3.78Å; P704-L708 VanDerWaalsContact O-CB 3.23Å; P704-L708 WeakPolarHBondContact O-CB 3.46Å; P704-L708 PolarHBondContact O-N 3.36Å; L705-L708 PolarHBondContact O-N 3.39Å; L708-N710 VanDerWaalsContact C-N 3.33Å; L708-N711 PolarHBondContact O-N 2.84Å; L708-I712 HydrophobicContact CD1-CD1 4.22Å; L708-I712 HydrophobicContact CG-CD1 4.14Å; L708-I712 WeakPolarHBondContact O-CD1 3.18Å; L708-I712 VanDerWaalsContact O-CG1 3.31Å; L708-I712 WeakPolarHBondContact O-CG1 3.44Å; L708-I712 PolarHBondContact O-N 3.28Å
709	I	92.3	Very high	91.8	Very high	86 Å²	86	20.2 Å²	20.2	44%	0.441	10%	0.104	S	C	.	.	H	α-helix	trans	-61	-44.3	176.2	-67.6	165.3	0	0	0	110.2	L705 L706 I712 I713	L705-I709 HydrophobicContact CD1-CD1 4.39Å; L705-I709 HydrophobicContact CG-CD1 4.32Å; L705-I709 WeakPolarHBondContact O-CG1 3.28Å; L705-I709 PolarHBondContact O-N 3.16Å; L706-I709 HydrophobicContact CD2-CD1 4.43Å; L706-I709 PolarHBondContact O-N 3.02Å; I709-I712 PolarHBondContact O-N 2.83Å; I709-I713 HydrophobicContact CG2-CD1 4.4Å; I709-I713 PolarHBondContact O-N 2.77Å
710	N	91.8	Very high	91.9	Very high	13 Å²	13	22 Å²	22	7%	0.07	11%	0.111	C	C	.	.	H	α-helix	trans	-59.5	-52.9	176	-176.2	57.2	0	0	0	111.9	Q628 N632 Q689 L706 A707 L708 I712 I713 E714	Q628-N710 HydrophobicContact CG-CB 4.12Å; Q628-N710 WeakPolarHBondContact CG-ND2 3.42Å; Q628-N710 WeakPolarHBondContact CG-OD1 3.36Å; Q628-N710 PolarHBondContact NE2-ND2 3.19Å; Q628-N710 PolarHBondContact NE2-OD1 2.91Å; N632-N710 PolarHBondContact ND2-OD1 3.43Å; Q689-N710 PolarHBondContact OE1-ND2 3.4Å; L706-N710 PolarHBondContact O-N 3.44Å; A707-N710 PolarHBondContact O-N 3.3Å; L708-N710 VanDerWaalsContact C-N 3.33Å; N710-I712 PolarHBondContact O-N 2.63Å; N710-I712 VanDerWaalsContact O-N 3.16Å; N710-I713 CarbonylContact O-C 3.6Å; N710-I713 WeakPolarHBondContact O-CA 3.31Å; N710-I713 WeakPolarHBondContact O-CB 3.42Å; N710-I713 PolarHBondContact O-N 3.2Å; N710-E714 PolarHBondContact O-N 3.47Å
711	N	92.4	Very high	92	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-58	-34.4	-177.2	-78	26.3	0	0	0	113.3	Y327 T328 Q689 A707 L708 I713 E714 I715	Y327-N711 WeakPolarHBondContact CD1-ND2 3.2Å; Y327-N711 WeakPolarHBondContact CE1-ND2 3.27Å; T328-N711 HydrophobicContact CG2-CB 3.78Å; T328-N711 VanDerWaalsContact OG1-CB 3.25Å; T328-N711 WeakPolarHBondContact OG1-CB 3.38Å; T328-N711 PolarHBondContact OG1-ND2 3.08Å; Q689-N711 PolarHBondContact NE2-OD1 3.39Å; A707-N711 PolarHBondContact O-N 3.34Å; A707-N711 PolarHBondContact O-OD1 2.96Å; L708-N711 PolarHBondContact O-N 2.84Å; N711-I713 VanDerWaalsContact C-N 3.28Å; N711-I713 PolarHBondContact O-N 2.97Å; N711-E714 PolarHBondContact O-N 2.88Å; N711-I715 WeakPolarHBondContact O-CB 3.34Å; N711-I715 WeakPolarHBondContact O-CD1 3.41Å; N711-I715 VanDerWaalsContact O-CG1 3.23Å; N711-I715 WeakPolarHBondContact O-CG1 3.47Å; N711-I715 PolarHBondContact O-N 2.87Å
712	I	91.9	Very high	91.9	Very high	56 Å²	56	21.3 Å²	21.3	29%	0.287	11%	0.107	S	C	.	.	H	α-helix	trans	-65	-35.1	176.8	-68.9	165	0	0	0	111.1	W300 T328 L708 I709 N710	W300-I712 HydrophobicContact CB-CG2 4.49Å; W300-I712 HydrophobicContact CE3-CG2 4.03Å; T328-I712 HydrophobicContact CG2-CG1 4.09Å; L708-I712 HydrophobicContact CD1-CD1 4.22Å; L708-I712 HydrophobicContact CG-CD1 4.14Å; L708-I712 WeakPolarHBondContact O-CD1 3.18Å; L708-I712 VanDerWaalsContact O-CG1 3.31Å; L708-I712 WeakPolarHBondContact O-CG1 3.44Å; L708-I712 PolarHBondContact O-N 3.28Å; I709-I712 PolarHBondContact O-N 2.83Å; N710-I712 PolarHBondContact O-N 2.63Å; N710-I712 VanDerWaalsContact O-N 3.16Å
713	I	90.9	Very high	91.9	Very high	70 Å²	70	20 Å²	20	36%	0.359	10%	0.101	S	C	.	.	H	α-helix	trans	-72.4	-51.1	171.7	-63.7	167.7	0	0	0	109.7	W297 I709 N710 N711 I715 R716 L717	W297-I713 HydrophobicContact CH2-CG2 4.24Å; W297-I713 HydrophobicContact CZ3-CG2 4.1Å; I709-I713 HydrophobicContact CG2-CD1 4.4Å; I709-I713 PolarHBondContact O-N 2.77Å; N710-I713 CarbonylContact O-C 3.6Å; N710-I713 WeakPolarHBondContact O-CA 3.31Å; N710-I713 WeakPolarHBondContact O-CB 3.42Å; N710-I713 PolarHBondContact O-N 3.2Å; N711-I713 VanDerWaalsContact C-N 3.28Å; N711-I713 PolarHBondContact O-N 2.97Å; I713-I715 PolarHBondContact O-N 3.35Å; I713-R716 PolarHBondContact O-N 3.29Å; I713-L717 PolarHBondContact O-N 3.48Å
714	E	91.6	Very high	91.7	Very high	1 Å²	1	20.1 Å²	20.1	1%	0.005	10%	0.101	C	C	.	.	H	α-helix	trans	-56	-49.2	-174.8	-152.2	85.4	127.9	0	0	111.6	Q628 N632 M686 N710 N711 R716 L717 D718	Q628-E714 PolarHBondContact NE2-OE1 3.06Å; N632-E714 PolarHBondContact ND2-OE2 2.78Å; N632-E714 PolarHBondContact OD1-OE2 3.32Å; M686-E714 HydrophobicContact CE-CB 4.48Å; M686-E714 HydrophobicContact CE-CG 3.71Å; M686-E714 WeakPolarHBondContact CE-OE1 3.08Å; M686-E714 HydrophobicContact SD-CG 4.28Å; N710-E714 PolarHBondContact O-N 3.47Å; N711-E714 PolarHBondContact O-N 2.88Å; E714-R716 PolarHBondContact O-N 3.32Å; E714-L717 PolarHBondContact O-N 3.41Å; E714-L717 VanDerWaalsContact O-N 3.08Å; E714-D718 VanDerWaalsContact O-CB 3.31Å; E714-D718 WeakPolarHBondContact O-CB 3.3Å; E714-D718 PolarHBondContact O-N 2.9Å
715	I	91.5	Very high	91.4	Very high	11 Å²	11	20.4 Å²	20.4	6%	0.056	10%	0.103	C	C	.	.	H	α-helix	trans	-51.1	-34.5	177.3	-73.7	164.4	0	0	0	112.4	Q304 L324 T328 N711 I713 A719	Q304-I715 HydrophobicContact CG-CG2 4.25Å; L324-I715 HydrophobicContact CD1-CG1 4.49Å; L324-I715 HydrophobicContact CD2-CB 4.47Å; L324-I715 HydrophobicContact CD2-CG1 3.53Å; L324-I715 HydrophobicContact CG-CD1 4.2Å; L324-I715 HydrophobicContact CG-CG1 3.6Å; T328-I715 HydrophobicContact CG2-CD1 4.13Å; T328-I715 WeakPolarHBondContact OG1-CD1 3.36Å; N711-I715 WeakPolarHBondContact O-CB 3.34Å; N711-I715 WeakPolarHBondContact O-CD1 3.41Å; N711-I715 VanDerWaalsContact O-CG1 3.23Å; N711-I715 WeakPolarHBondContact O-CG1 3.47Å; N711-I715 PolarHBondContact O-N 2.87Å; I713-I715 PolarHBondContact O-N 3.35Å; I715-A719 VanDerWaalsContact O-CB 3.24Å; I715-A719 WeakPolarHBondContact O-CB 3.32Å; I715-A719 PolarHBondContact O-N 3.38Å
716	R	91.3	Very high	91.1	Very high	8 Å²	8	19.1 Å²	19.1	3%	0.03	10%	0.095	C	C	.	.	H	α-helix	trans	-91.9	-33.3	-177.9	-53.3	-57.9	169.5	164.1	2.2	112.1	W294 W297 V299 W300 K302 I713 E714 A719 Y720	W294-R716 WeakPolarHBondContact O-CD 3.47Å; W294-R716 PolarHBondContact O-NH1 3.25Å; W297-R716 HydrophobicContact CD2-CB 4.43Å; W297-R716 HydrophobicContact CE3-CB 3.92Å; W297-R716 HydrophobicContact CH2-CB 4.47Å; W297-R716 HydrophobicContact CZ3-CB 3.94Å; V299-R716 PolarHBondContact O-NH2 3.41Å; W300-R716 PolarHBondContact O-NH2 3.15Å; K302-R716 PolarHBondContact O-NH2 3.28Å; I713-R716 PolarHBondContact O-N 3.29Å; E714-R716 PolarHBondContact O-N 3.32Å; R716-A719 PolarHBondContact O-N 2.98Å; R716-Y720 VanDerWaalsContact O-CB 3.23Å; R716-Y720 WeakPolarHBondContact O-CB 3.03Å; R716-Y720 PolarHBondContact O-N 3.42Å
717	L	91	Very high	91.1	Very high	4 Å²	4	18.2 Å²	18.2	2%	0.021	9%	0.087	C	C	.	.	H	α-helix	trans	-63.6	-50.6	173	-157.5	169.3	0	0	0	110.4	W297 N632 E635 L636 I713 E714 Y720 K721	W297-L717 HydrophobicContact CH2-CB 3.9Å; W297-L717 HydrophobicContact CH2-CG 4.27Å; W297-L717 HydrophobicContact CZ2-CB 4.43Å; N632-L717 HydrophobicContact CB-CD1 3.69Å; E635-L717 HydrophobicContact CB-CD2 4.36Å; E635-L717 HydrophobicContact CG-CD2 3.84Å; E635-L717 WeakPolarHBondContact OE1-CD2 3.47Å; L636-L717 HydrophobicContact CB-CD1 4.4Å; L636-L717 HydrophobicContact CB-CD2 4.04Å; L636-L717 HydrophobicContact CB-CG 4.3Å; I713-L717 PolarHBondContact O-N 3.48Å; E714-L717 PolarHBondContact O-N 3.41Å; E714-L717 VanDerWaalsContact O-N 3.08Å; L717-Y720 PolarHBondContact O-N 3.08Å; L717-K721 VanDerWaalsContact O-CB 3.31Å; L717-K721 WeakPolarHBondContact O-CB 3.33Å; L717-K721 PolarHBondContact O-N 3.42Å
718	D	91	Very high	91	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-53.2	-56.1	170.6	-103	-44.8	0	0	0	111.2	Y320 F321 E714 Y720 K721 F722	Y320-D718 VanDerWaalsContact CE1-OD2 3.24Å; Y320-D718 WeakPolarHBondContact CE1-OD2 3.46Å; Y320-D718 PolarHBondContact OH-OD2 3.17Å; F321-D718 HydrophobicContact CE1-CB 3.61Å; F321-D718 HydrophobicContact CZ-CB 3.77Å; E714-D718 VanDerWaalsContact O-CB 3.31Å; E714-D718 WeakPolarHBondContact O-CB 3.3Å; E714-D718 PolarHBondContact O-N 2.9Å; D718-Y720 VanDerWaalsContact C-N 3.25Å; D718-Y720 PolarHBondContact O-N 3.31Å; D718-K721 WeakPolarHBondContact O-CB 3.5Å; D718-K721 PolarHBondContact O-N 3.13Å; D718-K721 VanDerWaalsContact OD1-CE 3.24Å; D718-K721 WeakPolarHBondContact OD1-CE 3.47Å; D718-K721 IonicContact OD1-NZ 2.83Å; D718-K721 PolarHBondContact OD1-NZ 3.36Å; D718-F722 VanDerWaalsContact O-CD2 3.3Å; D718-F722 WeakPolarHBondContact O-CD2 3.21Å; D718-F722 PolarHBondContact O-N 3.41Å
719	A	91.9	Very high	90.7	Very high	0 Å²	0	18 Å²	18	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-56.4	-41.3	-178.9	0	0	0	0	0	112	W294 A295 I715 R716 V723	W294-A719 HydrophobicContact CD2-CB 3.63Å; W294-A719 VanDerWaalsContact CE2-CB 3.46Å; W294-A719 HydrophobicContact CE3-CB 3.8Å; W294-A719 HydrophobicContact CG-CB 4.33Å; W294-A719 HydrophobicContact CH2-CB 3.73Å; W294-A719 HydrophobicContact CZ2-CB 3.54Å; W294-A719 HydrophobicContact CZ3-CB 3.85Å; A295-A719 HydrophobicContact CB-CB 3.88Å; I715-A719 VanDerWaalsContact O-CB 3.24Å; I715-A719 WeakPolarHBondContact O-CB 3.32Å; I715-A719 PolarHBondContact O-N 3.38Å; R716-A719 PolarHBondContact O-N 2.98Å; A719-V723 WeakPolarHBondContact O-CB 3.43Å; A719-V723 VanDerWaalsContact O-CG2 3.23Å; A719-V723 WeakPolarHBondContact O-CG2 3.41Å; A719-V723 PolarHBondContact O-N 3.28Å
720	Y	90.9	Very high	90.5	Very high	37 Å²	37	16.4 Å²	16.4	15%	0.145	8%	0.078	C	C	.	.	H	α-helix	trans	-65	-44.1	175.3	-178.4	-93.5	0	0	0	112.5	Y291 L636 R716 L717 D718 V723 T724 Q725	Y291-Y720 AromaticContact CE2-CD2 3.94Å; Y291-Y720 HydrophobicContact CE2-CD2 3.94Å; Y291-Y720 AromaticContact CE2-CE2 3.97Å; Y291-Y720 HydrophobicContact CE2-CE2 3.97Å; L636-Y720 HydrophobicContact CD1-CD1 3.81Å; L636-Y720 HydrophobicContact CD1-CE1 3.92Å; R716-Y720 VanDerWaalsContact O-CB 3.23Å; R716-Y720 WeakPolarHBondContact O-CB 3.03Å; R716-Y720 PolarHBondContact O-N 3.42Å; L717-Y720 PolarHBondContact O-N 3.08Å; D718-Y720 VanDerWaalsContact C-N 3.25Å; D718-Y720 PolarHBondContact O-N 3.31Å; Y720-V723 PolarHBondContact O-N 3.08Å; Y720-T724 HydrophobicContact CD2-CG2 4.13Å; Y720-T724 WeakPolarHBondContact CE1-OG1 3.3Å; Y720-T724 HydrophobicContact CE2-CG2 3.97Å; Y720-T724 WeakPolarHBondContact O-CB 3.48Å; Y720-T724 PolarHBondContact O-N 2.8Å; Y720-T724 PolarHBondContact O-OG1 2.87Å; Y720-Q725 HydrophobicContact CE1-CG 4.2Å
721	K	90.2	Very high	90.3	Very high	3 Å²	3	16 Å²	16	1%	0.013	8%	0.076	C	C	.	.	I	π-helix	trans	-58.7	-53.2	176.5	177.7	-174.5	72.3	-169.2	0	111.3	E635 E682 L717 D718 V723 Q725 W726	E635-K721 HydrophobicContact CG-CD 3.86Å; E635-K721 IonicContact OE1-NZ 3.86Å; E635-K721 PolarHBondContact OE1-NZ 3.04Å; E682-K721 IonicContact OE1-NZ 2.89Å; E682-K721 PolarHBondContact OE1-NZ 3.25Å; E682-K721 IonicContact OE2-NZ 3.51Å; E682-K721 PolarHBondContact OE2-NZ 2.94Å; L717-K721 VanDerWaalsContact O-CB 3.31Å; L717-K721 WeakPolarHBondContact O-CB 3.33Å; L717-K721 PolarHBondContact O-N 3.42Å; D718-K721 WeakPolarHBondContact O-CB 3.5Å; D718-K721 PolarHBondContact O-N 3.13Å; D718-K721 VanDerWaalsContact OD1-CE 3.24Å; D718-K721 WeakPolarHBondContact OD1-CE 3.47Å; D718-K721 IonicContact OD1-NZ 2.83Å; D718-K721 PolarHBondContact OD1-NZ 3.36Å; K721-V723 PolarHBondContact O-N 3.26Å; K721-Q725 PolarHBondContact O-N 3.15Å; K721-W726 HydrophobicContact CD-CD2 4.41Å; K721-W726 HydrophobicContact CD-CH2 3.99Å; K721-W726 HydrophobicContact CD-CZ2 3.54Å; K721-W726 HydrophobicContact CG-CD2 3.93Å; K721-W726 HydrophobicContact CG-CE3 4.48Å; K721-W726 HydrophobicContact CG-CG 4.31Å; K721-W726 HydrophobicContact CG-CZ2 3.97Å; K721-W726 PolarHBondContact O-N 3.04Å
722	F	90.4	Very high	89.7	Confident	0 Å²	0	18 Å²	18	0%	0	9%	0.089	C	C	.	.	I	π-helix	trans	-62.9	-37	178.1	-84.5	-79	0	0	0	114	F313 I317 F321 M674 L679 D718 W726 P729	F313-F722 HydrophobicContact CE1-CB 4.42Å; F313-F722 HydrophobicContact CZ-CB 4.06Å; I317-F722 HydrophobicContact CD1-CE1 3.95Å; I317-F722 HydrophobicContact CG1-CE1 4.41Å; I317-F722 HydrophobicContact CG2-CE1 4.39Å; F321-F722 HydrophobicContact CE2-CD2 4.07Å; F321-F722 HydrophobicContact CE2-CE2 4.19Å; F321-F722 AromaticContact CZ-CD2 3.76Å; F321-F722 HydrophobicContact CZ-CD2 3.76Å; F321-F722 AromaticContact CZ-CE2 3.97Å; F321-F722 HydrophobicContact CZ-CE2 3.97Å; M674-F722 HydrophobicContact SD-CE1 4.16Å; L679-F722 HydrophobicContact CD2-CE2 4.43Å; L679-F722 HydrophobicContact CD2-CZ 3.66Å; D718-F722 VanDerWaalsContact O-CD2 3.3Å; D718-F722 WeakPolarHBondContact O-CD2 3.21Å; D718-F722 PolarHBondContact O-N 3.41Å; F722-W726 AromaticContact CD1-CE3 3.89Å; F722-W726 HydrophobicContact CD1-CE3 3.89Å; F722-W726 HydrophobicContact CD1-CZ3 4.15Å; F722-W726 AromaticContact CE1-CE3 3.75Å; F722-W726 HydrophobicContact CE1-CE3 3.75Å; F722-W726 AromaticContact CE1-CZ3 3.57Å; F722-W726 HydrophobicContact CE1-CZ3 3.57Å; F722-W726 HydrophobicContact CE2-CZ3 4.01Å; F722-W726 HydrophobicContact CG-CE3 4.36Å; F722-W726 HydrophobicContact CZ-CE3 4.09Å; F722-W726 HydrophobicContact CZ-CH2 4.44Å; F722-W726 AromaticContact CZ-CZ3 3.48Å; F722-W726 HydrophobicContact CZ-CZ3 3.48Å; F722-W726 VanDerWaalsContact CZ-CZ3 3.48Å; F722-P729 HydrophobicContact CD1-CG 4.38Å; F722-P729 HydrophobicContact CE1-CG 4.38Å
723	V	90.7	Very high	89.1	Confident	0 Å²	0	18.1 Å²	18.1	0%	0	9%	0.089	C	C	.	.	I	π-helix	trans	-83.7	-30.9	-177.5	174.7	0	0	0	0	112.5	R287 L290 Y291 W294 A295 F313 A719 Y720 K721	R287-V723 HydrophobicContact CG-CG1 4.13Å; R287-V723 PolarHBondContact NE-O 3.27Å; R287-V723 PolarHBondContact NH2-O 3.32Å; L290-V723 HydrophobicContact CB-CG2 4.23Å; Y291-V723 HydrophobicContact CD2-CG1 4.09Å; W294-V723 HydrophobicContact CE3-CG2 4.24Å; W294-V723 HydrophobicContact CZ3-CG2 3.87Å; A295-V723 HydrophobicContact CB-CB 4.34Å; A295-V723 HydrophobicContact CB-CG2 4.24Å; F313-V723 HydrophobicContact CE2-CG2 4.28Å; F313-V723 HydrophobicContact CZ-CG2 4.18Å; A719-V723 WeakPolarHBondContact O-CB 3.43Å; A719-V723 VanDerWaalsContact O-CG2 3.23Å; A719-V723 WeakPolarHBondContact O-CG2 3.41Å; A719-V723 PolarHBondContact O-N 3.28Å; Y720-V723 PolarHBondContact O-N 3.08Å; K721-V723 PolarHBondContact O-N 3.26Å
724	T	88.2	Confident	88.6	Confident	3 Å²	3	15.9 Å²	15.9	2%	0.018	8%	0.081	C	C	.	.	I	π-helix	trans	-121.6	-29.3	-167.3	73.4	0	0	0	0	117.2	Y272 Y291 Y720	Y272-T724 HydrophobicContact CD1-CG2 4.02Å; Y272-T724 HydrophobicContact CD2-CG2 3.92Å; Y272-T724 HydrophobicContact CE1-CG2 4.19Å; Y272-T724 HydrophobicContact CE2-CG2 4.12Å; Y272-T724 HydrophobicContact CG-CG2 3.89Å; Y291-T724 HydrophobicContact CD2-CG2 3.8Å; Y291-T724 HydrophobicContact CE2-CG2 3.69Å; Y720-T724 HydrophobicContact CD2-CG2 4.13Å; Y720-T724 WeakPolarHBondContact CE1-OG1 3.3Å; Y720-T724 HydrophobicContact CE2-CG2 3.97Å; Y720-T724 WeakPolarHBondContact O-CB 3.48Å; Y720-T724 PolarHBondContact O-N 2.8Å; Y720-T724 PolarHBondContact O-OG1 2.87Å
725	Q	88.1	Confident	87.9	Confident	7 Å²	7	19.5 Å²	19.5	3%	0.033	10%	0.097	C	C	.	.	I	π-helix	trans	-109.1	-29.2	-170	-58.8	-48.8	-47.2	0	0	114.8	P639 L640 N643 Q672 Y720 K721	P639-Q725 HydrophobicContact CB-CB 4.12Å; P639-Q725 HydrophobicContact CG-CB 4.43Å; L640-Q725 HydrophobicContact CD2-CG 4.44Å; N643-Q725 PolarHBondContact ND2-O 2.89Å; N643-Q725 VanDerWaalsContact ND2-O 3.12Å; N643-Q725 PolarHBondContact ND2-OE1 2.99Å; Q672-Q725 PolarHBondContact N-O 3.36Å; Y720-Q725 HydrophobicContact CE1-CG 4.2Å; K721-Q725 PolarHBondContact O-N 3.15Å
726	W	88.8	Confident	87.5	Confident	21 Å²	21	20.8 Å²	20.8	8%	0.08	10%	0.103	C	C	.	.	B	Isolated β-bridge	trans	-94.5	154.6	177.1	-69.2	-5	0	0	0	111.9	H268 L671 Q672 M674 E682 K721 F722	H268-W726 PolarHBondContact NE2-O 3.16Å; L671-W726 WeakPolarHBondContact CD1-O 3.34Å; Q672-W726 CarbonylContact O-C 3.46Å; Q672-W726 WeakPolarHBondContact O-CA 3.45Å; M674-W726 HydrophobicContact CB-CE3 4.13Å; M674-W726 HydrophobicContact CB-CZ3 4.34Å; M674-W726 HydrophobicContact CG-CE3 3.93Å; M674-W726 HydrophobicContact CG-CH2 4.14Å; M674-W726 HydrophobicContact CG-CZ3 3.63Å; M674-W726 HydrophobicContact SD-CE3 4.23Å; M674-W726 HydrophobicContact SD-CZ3 3.87Å; E682-W726 VanDerWaalsContact OE1-CH2 3.32Å; E682-W726 WeakPolarHBondContact OE1-CH2 3.47Å; K721-W726 HydrophobicContact CD-CD2 4.41Å; K721-W726 HydrophobicContact CD-CH2 3.99Å; K721-W726 HydrophobicContact CD-CZ2 3.54Å; K721-W726 HydrophobicContact CG-CD2 3.93Å; K721-W726 HydrophobicContact CG-CE3 4.48Å; K721-W726 HydrophobicContact CG-CG 4.31Å; K721-W726 HydrophobicContact CG-CZ2 3.97Å; K721-W726 PolarHBondContact O-N 3.04Å; F722-W726 AromaticContact CD1-CE3 3.89Å; F722-W726 HydrophobicContact CD1-CE3 3.89Å; F722-W726 HydrophobicContact CD1-CZ3 4.15Å; F722-W726 AromaticContact CE1-CE3 3.75Å; F722-W726 HydrophobicContact CE1-CE3 3.75Å; F722-W726 AromaticContact CE1-CZ3 3.57Å; F722-W726 HydrophobicContact CE1-CZ3 3.57Å; F722-W726 HydrophobicContact CE2-CZ3 4.01Å; F722-W726 HydrophobicContact CG-CE3 4.36Å; F722-W726 HydrophobicContact CZ-CE3 4.09Å; F722-W726 HydrophobicContact CZ-CH2 4.44Å; F722-W726 AromaticContact CZ-CZ3 3.48Å; F722-W726 HydrophobicContact CZ-CZ3 3.48Å; F722-W726 VanDerWaalsContact CZ-CZ3 3.48Å
727	R	90.4	Very high	87.3	Confident	42 Å²	42	20.9 Å²	20.9	16%	0.158	10%	0.104	C	C	.	.	P	Polyproline II helix	trans	-62.5	151.9	161.1	-66.9	176.7	-168.4	171.3	0.6	109.5	D668 Y669 L671 Q672 P729	D668-R727 VanDerWaalsContact O-CG 3.25Å; D668-R727 WeakPolarHBondContact O-CG 3.47Å; Y669-R727 PolarHBondContact O-NE 3.23Å; Y669-R727 PolarHBondContact O-NH2 3.13Å; L671-R727 HydrophobicContact CB-CG 3.99Å; L671-R727 PolarHBondContact O-NE 3.21Å; L671-R727 PolarHBondContact O-NH2 3.34Å; Q672-R727 WeakPolarHBondContact O-CG 3.42Å; Q672-R727 PolarHBondContact O-N 3.41Å; R727-P729 VanDerWaalsContact O-CD 3.29Å; R727-P729 WeakPolarHBondContact O-CD 3.42Å; R727-P729 VanDerWaalsContact O-N 3.13Å
728	R	90.8	Very high	87	Confident	9 Å²	9	22 Å²	22	3%	0.034	12%	0.117	C	C	.	.	P	Polyproline II helix	trans	-59.1	117.8	176.5	-170.9	179.4	-170.8	163.8	7.9	109.3	P266 L267 H268 E269 Y312	P266-R728 WeakPolarHBondContact CD-O 3.43Å; P266-R728 HydrophobicContact CG-CB 4.23Å; P266-R728 HydrophobicContact CG-CG 4.23Å; P266-R728 WeakPolarHBondContact CG-O 3.43Å; L267-R728 WeakPolarHBondContact O-CD 3.33Å; L267-R728 PolarHBondContact O-NH1 3.23Å; H268-R728 PolarHBondContact NE2-N 3.39Å; E269-R728 IonicContact OE1-CZ 2.67Å; E269-R728 IonicContact OE1-NH1 2.72Å; E269-R728 PolarHBondContact OE1-NH1 3.3Å; E269-R728 VanDerWaalsContact OE1-NH1 3.13Å; E269-R728 IonicContact OE1-NH2 2.93Å; E269-R728 PolarHBondContact OE1-NH2 2.85Å; Y312-R728 PolarHBondContact O-NE 3.07Å; Y312-R728 PolarHBondContact O-NH2 3.32Å
729	P	89.6	Confident	87	Confident	8 Å²	8	24.8 Å²	24.8	5%	0.052	13%	0.131	C	C	.	.	P	Polyproline II helix	trans	-68.3	157.4	175	29.7	-35.3	0	0	0	110.5	F313 I317 M674 F722 R727 P731	F313-P729 HydrophobicContact CD1-CG 3.84Å; F313-P729 HydrophobicContact CE1-CG 4.38Å; I317-P729 HydrophobicContact CD1-CB 3.91Å; I317-P729 HydrophobicContact CD1-CG 3.3Å; M674-P729 HydrophobicContact CE-CB 3.45Å; M674-P729 VanDerWaalsContact CE-CB 3.45Å; M674-P729 HydrophobicContact SD-CB 3.84Å; F722-P729 HydrophobicContact CD1-CG 4.38Å; F722-P729 HydrophobicContact CE1-CG 4.38Å; R727-P729 VanDerWaalsContact O-CD 3.29Å; R727-P729 WeakPolarHBondContact O-CD 3.42Å; R727-P729 VanDerWaalsContact O-N 3.13Å; P729-P731 WeakPolarHBondContact O-CD 3.35Å
730	L	86.6	Confident	87.1	Confident	51 Å²	51	25.4 Å²	25.4	27%	0.267	13%	0.134	S	C	.	.	P	Polyproline II helix	trans	-69.4	127.4	176.3	-174.3	74.8	0	0	0	110.4	Y91 H235 S732	Y91-L730 HydrophobicContact CE2-CD1 4.18Å; H235-L730 HydrophobicContact CB-CD1 3.62Å; H235-L730 HydrophobicContact CB-CD2 3.99Å; H235-L730 HydrophobicContact CB-CG 4.48Å; H235-L730 WeakPolarHBondContact CD2-CD2 3.28Å; L730-S732 PolarHBondContact O-N 3.39Å; L730-S732 VanDerWaalsContact O-N 3.1Å
731	P	87	Confident	87.1	Confident	5 Å²	5	24.9 Å²	24.9	3%	0.032	13%	0.131	C	C	.	.			trans	-62.2	112.7	173.1	-24.5	36.8	0	0	0	111.5	A228 R232 F313 P729	A228-P731 HydrophobicContact CB-CB 3.96Å; A228-P731 HydrophobicContact CB-CG 3.61Å; R232-P731 WeakPolarHBondContact CD-O 3.32Å; F313-P731 WeakPolarHBondContact O-CA 3.31Å; P729-P731 WeakPolarHBondContact O-CD 3.35Å
732	S	81.3	Confident	87.3	Confident	41 Å²	41	26.5 Å²	26.5	29%	0.287	15%	0.149	S	C	.	.			trans	-117.3	144	179	39.1	0	0	0	0	110.1	E315 K316 L730	E315-S732 PolarHBondContact N-O 3.43Å; K316-S732 WeakPolarHBondContact CB-O 3.48Å; K316-S732 WeakPolarHBondContact CD-OG 3.44Å; K316-S732 PolarHBondContact N-O 2.97Å; L730-S732 PolarHBondContact O-N 3.39Å; L730-S732 VanDerWaalsContact O-N 3.1Å
733	Q	79.9	Confident	87.5	Confident	59 Å²	59	27 Å²	27	28%	0.276	15%	0.152	S	C	.	.			trans	-90.8	145.3	175.4	-73.3	-178.2	-53.6	0	0	110.2	R232 E315 L428	R232-Q733 VanDerWaalsContact CZ-OE1 3.31Å; E315-Q733 WeakPolarHBondContact OE2-CG 3.26Å; L428-Q733 HydrophobicContact CD2-CB 4.12Å; L428-Q733 HydrophobicContact CD2-CG 4.34Å
734	A	79.8	Confident	87.7	Confident	23 Å²	23	27 Å²	27	19%	0.19	15%	0.152	C	C	.	.			trans	-156	127.1	173.5	0	0	0	0	0	109.1	K316 L428 D736	K316-A734 HydrophobicContact CB-CB 4.06Å; K316-A734 HydrophobicContact CG-CB 3.92Å; L428-A734 WeakPolarHBondContact CD1-O 3.47Å; A734-D736 VanDerWaalsContact C-N 3.34Å
735	K	76	Confident	87.9	Confident	78 Å²	78	29.7 Å²	29.7	34%	0.339	16%	0.164	S	C	.	.	S	Bend	trans	-69.1	-32.7	-179.3	81.7	-172.4	-171.2	-159.4	0	112.6	E432	E432-K735 WeakPolarHBondContact OE1-CD 3.39Å; E432-K735 WeakPolarHBondContact OE1-CE 3.18Å; E432-K735 IonicContact OE1-NZ 3.34Å; E432-K735 PolarHBondContact OE1-NZ 3Å; E432-K735 IonicContact OE2-NZ 3.71Å; E432-K735 PolarHBondContact OE2-NZ 2.95Å
736	D	83.9	Confident	88.2	Confident	37 Å²	37	31 Å²	31	20%	0.198	18%	0.18	C	C	.	.	S	Bend	trans	-150.7	-175.4	-174.4	69.3	14.2	0	0	0	110.9	L319 R419 A734 G738	L319-D736 VanDerWaalsContact CD2-CA 3.44Å; L319-D736 VanDerWaalsContact CD2-O 3.32Å; L319-D736 WeakPolarHBondContact CD2-O 3.12Å; R419-D736 IonicContact NH1-OD2 2.77Å; R419-D736 PolarHBondContact NH1-OD2 3.24Å; A734-D736 VanDerWaalsContact C-N 3.34Å; D736-G738 PolarHBondContact O-N 2.81Å; D736-G738 WeakPolarHBondContact OD1-CA 3.41Å; D736-G738 PolarHBondContact OD1-N 2.71Å
737	I	86.4	Confident	88.5	Confident	10 Å²	10	30.2 Å²	30.2	5%	0.051	18%	0.177	C	C	.	.			trans	-82.5	12.1	-178.4	65.1	174.3	0	0	0	113.1	L319 W323 W415 Y683 W740 L744	L319-I737 HydrophobicContact CD2-CG2 3.91Å; L319-I737 HydrophobicContact CG-CG2 4.15Å; W323-I737 HydrophobicContact CB-CG2 4.44Å; W415-I737 HydrophobicContact CZ2-CG2 4.04Å; Y683-I737 HydrophobicContact CE1-CB 4.09Å; Y683-I737 HydrophobicContact CE1-CG2 3.88Å; I737-W740 HydrophobicContact CB-CB 4.39Å; I737-W740 HydrophobicContact CD1-CB 4Å; I737-W740 HydrophobicContact CG1-CB 4.1Å; I737-W740 WeakPolarHBondContact O-CB 3.47Å; I737-L744 HydrophobicContact CD1-CD1 4.17Å
738	G	85.8	Confident	88.6	Confident	27 Å²	27	28.6 Å²	28.6	28%	0.278	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	60	-148.3	-176	0	0	0	0	0	113.7	D736 W740 Y741	D736-G738 PolarHBondContact O-N 2.81Å; D736-G738 WeakPolarHBondContact OD1-CA 3.41Å; D736-G738 PolarHBondContact OD1-N 2.71Å; G738-W740 PolarHBondContact O-N 2.96Å; G738-Y741 PolarHBondContact O-N 3.31Å
739	I	90.4	Very high	88.6	Confident	59 Å²	59	31.4 Å²	31.4	30%	0.303	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.3	-21.5	-176.9	-169.7	58.9	0	0	0	114.1	N560 T563 Y741 G742 I743	N560-I739 HydrophobicContact CB-CB 4.23Å; N560-I739 HydrophobicContact CB-CG2 4.2Å; N560-I739 VanDerWaalsContact OD1-CB 3.24Å; N560-I739 WeakPolarHBondContact OD1-CB 3.1Å; N560-I739 VanDerWaalsContact OD1-CG2 3.3Å; N560-I739 WeakPolarHBondContact OD1-CG2 3.27Å; N560-I739 PolarHBondContact OD1-N 3.41Å; T563-I739 HydrophobicContact CG2-CG2 3.39Å; I739-Y741 PolarHBondContact O-N 2.87Å; I739-Y741 VanDerWaalsContact O-N 3.14Å; I739-G742 PolarHBondContact O-N 2.82Å; I739-I743 HydrophobicContact CG1-CD1 4.16Å; I739-I743 HydrophobicContact CG1-CG1 4.37Å; I739-I743 HydrophobicContact CG2-CD1 4.21Å; I739-I743 PolarHBondContact O-N 2.8Å
740	W	93.4	Very high	88.8	Confident	13 Å²	13	33.9 Å²	33.9	5%	0.049	20%	0.201	C	C	.	.	H	α-helix	trans	-55.1	-30.4	176.6	-66.7	130	0	0	0	113.7	T563 F567 F680 Y683 L684 I687 I737 G738 I743 L744	T563-W740 HydrophobicContact CG2-CD2 3.67Å; T563-W740 VanDerWaalsContact CG2-CE2 3.47Å; T563-W740 HydrophobicContact CG2-CE3 3.75Å; T563-W740 HydrophobicContact CG2-CH2 3.64Å; T563-W740 HydrophobicContact CG2-CZ2 3.5Å; T563-W740 VanDerWaalsContact CG2-CZ2 3.5Å; T563-W740 HydrophobicContact CG2-CZ3 3.75Å; F567-W740 HydrophobicContact CB-CZ3 4.14Å; F567-W740 HydrophobicContact CD2-CZ3 4.28Å; F567-W740 HydrophobicContact CG-CZ3 4.46Å; F680-W740 HydrophobicContact CD2-CH2 4.02Å; F680-W740 AromaticContact CD2-CZ2 3.53Å; F680-W740 HydrophobicContact CD2-CZ2 3.53Å; F680-W740 AromaticContact CE2-CH2 3.46Å; F680-W740 HydrophobicContact CE2-CH2 3.46Å; F680-W740 VanDerWaalsContact CE2-CH2 3.46Å; F680-W740 AromaticContact CE2-CZ2 3.49Å; F680-W740 HydrophobicContact CE2-CZ2 3.49Å; F680-W740 VanDerWaalsContact CE2-CZ2 3.49Å; F680-W740 HydrophobicContact CZ-CH2 4.16Å; F680-W740 HydrophobicContact CZ-CZ2 4.45Å; Y683-W740 VanDerWaalsContact CB-NE1 3.28Å; Y683-W740 AromaticContact CD1-CD1 3.95Å; Y683-W740 HydrophobicContact CD1-CG 4.43Å; Y683-W740 AromaticContact CD2-CD1 3.95Å; Y683-W740 AromaticContact CD2-NE1 3.69Å; Y683-W740 AromaticContact CG-CD1 3.65Å; Y683-W740 HydrophobicContact CG-CG 4.36Å; Y683-W740 AromaticContact CG-NE1 3.52Å; L684-W740 HydrophobicContact CB-CH2 3.86Å; L684-W740 HydrophobicContact CB-CZ2 4.38Å; L684-W740 HydrophobicContact CD1-CH2 4.03Å; L684-W740 HydrophobicContact CD1-CZ3 4.47Å; I687-W740 HydrophobicContact CD1-CB 3.62Å; I687-W740 HydrophobicContact CD1-CD2 3.37Å; I687-W740 HydrophobicContact CD1-CE3 3.21Å; I687-W740 HydrophobicContact CD1-CG 3.6Å; I687-W740 HydrophobicContact CD1-CZ3 3.88Å; I687-W740 HydrophobicContact CG1-CE3 4.45Å; I687-W740 HydrophobicContact CG2-CE3 4.4Å; I687-W740 HydrophobicContact CG2-CZ3 4.45Å; I737-W740 HydrophobicContact CB-CB 4.39Å; I737-W740 HydrophobicContact CD1-CB 4Å; I737-W740 HydrophobicContact CG1-CB 4.1Å; I737-W740 WeakPolarHBondContact O-CB 3.47Å; G738-W740 PolarHBondContact O-N 2.96Å; W740-I743 HydrophobicContact CD2-CD1 4.49Å; W740-I743 HydrophobicContact CE3-CB 4.45Å; W740-I743 HydrophobicContact CE3-CD1 3.58Å; W740-I743 HydrophobicContact CE3-CG2 4.37Å; W740-I743 HydrophobicContact CZ3-CD1 3.96Å; W740-I743 PolarHBondContact O-N 2.97Å; W740-L744 VanDerWaalsContact O-CG 3.31Å; W740-L744 WeakPolarHBondContact O-CG 3.31Å; W740-L744 PolarHBondContact O-N 3.07Å
741	Y	92.5	Very high	89.2	Confident	26 Å²	26	31.5 Å²	31.5	10%	0.102	19%	0.188	C	C	.	.	H	α-helix	trans	-62.9	-47.9	173.3	176.6	-87.7	0	0	0	111.8	L412 K416 G738 I739 I743 L744 E745	L412-Y741 HydrophobicContact CB-CE2 4.38Å; L412-Y741 HydrophobicContact CD2-CE2 4.12Å; K416-Y741 HydrophobicContact CD-CE2 4.16Å; K416-Y741 WeakPolarHBondContact CD-OH 3.46Å; K416-Y741 VanDerWaalsContact CE-OH 3.31Å; K416-Y741 WeakPolarHBondContact CE-OH 3.43Å; K416-Y741 HydrophobicContact CG-CE2 3.71Å; G738-Y741 PolarHBondContact O-N 3.31Å; I739-Y741 PolarHBondContact O-N 2.87Å; I739-Y741 VanDerWaalsContact O-N 3.14Å; Y741-I743 VanDerWaalsContact C-N 3.32Å; Y741-I743 PolarHBondContact O-N 2.83Å; Y741-L744 PolarHBondContact O-N 3.33Å; Y741-E745 HydrophobicContact CE1-CB 4.5Å; Y741-E745 WeakPolarHBondContact CE1-OE2 3.42Å; Y741-E745 PolarHBondContact O-N 2.89Å; Y741-E745 PolarHBondContact OH-OE2 3.4Å
742	G	93.4	Very high	89.5	Confident	38 Å²	38	31.5 Å²	31.5	39%	0.392	19%	0.188	S	C	.	.	H	α-helix	trans	-66.9	-33.3	178.9	0	0	0	0	0	112.7	I739 E745 G746	I739-G742 PolarHBondContact O-N 2.82Å; G742-E745 PolarHBondContact O-N 3.28Å; G742-G746 PolarHBondContact O-N 2.92Å
743	I	95.3	Very high	90.1	Very high	9 Å²	9	32 Å²	32	5%	0.046	19%	0.187	C	C	.	.	H	α-helix	trans	-63.6	-46.8	172.7	-71.7	166.6	0	0	0	111	T563 F567 I687 I739 W740 Y741 E745 G746 I747	T563-I743 HydrophobicContact CG2-CD1 4.12Å; F567-I743 HydrophobicContact CB-CD1 4.02Å; F567-I743 HydrophobicContact CD1-CD1 4.07Å; F567-I743 HydrophobicContact CD1-CG1 4.05Å; F567-I743 HydrophobicContact CD1-CG2 3.76Å; F567-I743 HydrophobicContact CD2-CG2 3.72Å; F567-I743 HydrophobicContact CE1-CG1 4.46Å; F567-I743 HydrophobicContact CE1-CG2 3.62Å; F567-I743 HydrophobicContact CE2-CG2 3.56Å; F567-I743 HydrophobicContact CG-CD1 3.98Å; F567-I743 HydrophobicContact CG-CG1 4.39Å; F567-I743 HydrophobicContact CG-CG2 3.83Å; F567-I743 HydrophobicContact CZ-CG2 3.52Å; I687-I743 HydrophobicContact CG2-CG2 3.74Å; I739-I743 HydrophobicContact CG1-CD1 4.16Å; I739-I743 HydrophobicContact CG1-CG1 4.37Å; I739-I743 HydrophobicContact CG2-CD1 4.21Å; I739-I743 PolarHBondContact O-N 2.8Å; W740-I743 HydrophobicContact CD2-CD1 4.49Å; W740-I743 HydrophobicContact CE3-CB 4.45Å; W740-I743 HydrophobicContact CE3-CD1 3.58Å; W740-I743 HydrophobicContact CE3-CG2 4.37Å; W740-I743 HydrophobicContact CZ3-CD1 3.96Å; W740-I743 PolarHBondContact O-N 2.97Å; Y741-I743 VanDerWaalsContact C-N 3.32Å; Y741-I743 PolarHBondContact O-N 2.83Å; I743-E745 VanDerWaalsContact C-N 3.33Å; I743-E745 PolarHBondContact O-N 2.92Å; I743-G746 PolarHBondContact O-N 3.48Å; I743-I747 HydrophobicContact CG2-CD1 4.03Å; I743-I747 WeakPolarHBondContact O-CG1 3.19Å; I743-I747 PolarHBondContact O-N 2.74Å
744	L	94.3	Very high	90.7	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-62.8	-38.2	176.4	-73.6	166	0	0	0	112.4	W323 L412 I687 F690 I737 W740 Y741 I747 G748	W323-L744 HydrophobicContact CZ2-CD1 3.87Å; W323-L744 HydrophobicContact CZ2-CD2 4.44Å; L412-L744 HydrophobicContact CD2-CB 3.87Å; L412-L744 HydrophobicContact CD2-CD1 4.42Å; I687-L744 HydrophobicContact CB-CD2 4.5Å; I687-L744 HydrophobicContact CG1-CD2 4.03Å; I687-L744 HydrophobicContact CG1-CG 4.28Å; I687-L744 HydrophobicContact CG2-CD2 4.14Å; I687-L744 HydrophobicContact CG2-CG 4.49Å; F690-L744 HydrophobicContact CB-CD2 4.05Å; F690-L744 HydrophobicContact CD1-CD2 3.3Å; F690-L744 HydrophobicContact CD2-CD2 4.34Å; F690-L744 HydrophobicContact CE1-CD2 3.73Å; F690-L744 HydrophobicContact CG-CD2 3.64Å; F690-L744 HydrophobicContact CZ-CD2 4.4Å; I737-L744 HydrophobicContact CD1-CD1 4.17Å; W740-L744 VanDerWaalsContact O-CG 3.31Å; W740-L744 WeakPolarHBondContact O-CG 3.31Å; W740-L744 PolarHBondContact O-N 3.07Å; Y741-L744 PolarHBondContact O-N 3.33Å; L744-I747 PolarHBondContact O-N 2.92Å; L744-G748 PolarHBondContact O-N 2.87Å
745	E	92.5	Very high	91.4	Very high	60 Å²	60	28.4 Å²	28.4	28%	0.28	17%	0.167	S	C	.	.	H	α-helix	trans	-65.8	-42.3	174	173.2	146.1	-143.8	0	0	112.3	L412 Y741 G742 I743 G748 I749 K869	L412-E745 HydrophobicContact CD1-CB 4.3Å; Y741-E745 HydrophobicContact CE1-CB 4.5Å; Y741-E745 WeakPolarHBondContact CE1-OE2 3.42Å; Y741-E745 PolarHBondContact O-N 2.89Å; Y741-E745 PolarHBondContact OH-OE2 3.4Å; G742-E745 PolarHBondContact O-N 3.28Å; I743-E745 VanDerWaalsContact C-N 3.33Å; I743-E745 PolarHBondContact O-N 2.92Å; E745-G748 WeakPolarHBondContact O-CA 3.41Å; E745-G748 PolarHBondContact O-N 2.92Å; E745-G748 VanDerWaalsContact O-N 3.11Å; E745-I749 HydrophobicContact CG-CD1 4.45Å; E745-I749 WeakPolarHBondContact O-CG1 3.5Å; E745-I749 PolarHBondContact O-N 3.35Å; E745-K869 IonicContact OE1-NZ 2.77Å; E745-K869 PolarHBondContact OE1-NZ 2.91Å
746	G	93.8	Very high	92.2	Very high	35 Å²	35	24.7 Å²	24.7	36%	0.361	15%	0.151	S	C	.	.	H	α-helix	trans	-61.1	-43	173.8	0	0	0	0	0	112.9	G742 I743 G748 I749 L750	G742-G746 PolarHBondContact O-N 2.92Å; I743-G746 PolarHBondContact O-N 3.48Å; G746-G748 VanDerWaalsContact C-N 3.3Å; G746-G748 PolarHBondContact O-N 3.47Å; G746-I749 PolarHBondContact O-N 2.92Å; G746-L750 WeakPolarHBondContact O-CB 3.18Å; G746-L750 PolarHBondContact O-N 2.89Å
747	I	94.5	Very high	92.7	Very high	5 Å²	5	26.9 Å²	26.9	3%	0.026	16%	0.158	C	C	.	.	H	α-helix	trans	-58.9	-42.7	170.8	-70.4	166.7	0	0	0	110.6	F567 I687 F690 I695 I743 L744 I749 L750 S751	F567-I747 HydrophobicContact CE2-CD1 3.97Å; F567-I747 HydrophobicContact CZ-CD1 3.86Å; F567-I747 HydrophobicContact CZ-CG1 4.08Å; I687-I747 HydrophobicContact CG2-CD1 3.75Å; F690-I747 HydrophobicContact CD1-CB 4.37Å; F690-I747 HydrophobicContact CD1-CD1 4.5Å; F690-I747 HydrophobicContact CD1-CG2 3.7Å; F690-I747 HydrophobicContact CE1-CB 4.29Å; F690-I747 HydrophobicContact CE1-CG2 3.75Å; I695-I747 HydrophobicContact CD1-CG2 4.08Å; I695-I747 HydrophobicContact CG1-CG2 4.14Å; I743-I747 HydrophobicContact CG2-CD1 4.03Å; I743-I747 WeakPolarHBondContact O-CG1 3.19Å; I743-I747 PolarHBondContact O-N 2.74Å; L744-I747 PolarHBondContact O-N 2.92Å; I747-I749 VanDerWaalsContact C-N 3.31Å; I747-I749 PolarHBondContact O-N 3.43Å; I747-L750 PolarHBondContact O-N 2.87Å; I747-S751 WeakPolarHBondContact O-CB 3.33Å; I747-S751 PolarHBondContact O-N 3.5Å
748	G	92.6	Very high	93	Very high	7 Å²	7	26.4 Å²	26.4	7%	0.072	16%	0.156	C	C	.	.	H	α-helix	trans	-60.9	-35.4	177.1	0	0	0	0	0	113.8	L744 E745 G746	L744-G748 PolarHBondContact O-N 2.87Å; E745-G748 WeakPolarHBondContact O-CA 3.41Å; E745-G748 PolarHBondContact O-N 2.92Å; E745-G748 VanDerWaalsContact O-N 3.11Å; G746-G748 VanDerWaalsContact C-N 3.3Å; G746-G748 PolarHBondContact O-N 3.47Å
749	I	92.3	Very high	93.3	Very high	68 Å²	68	25.3 Å²	25.3	35%	0.349	14%	0.144	S	C	.	.	H	α-helix	trans	-72.7	-50.3	174.3	-65.5	168.6	0	0	0	110.5	E745 G746 I747 S751 V752 I753 F866	E745-I749 HydrophobicContact CG-CD1 4.45Å; E745-I749 WeakPolarHBondContact O-CG1 3.5Å; E745-I749 PolarHBondContact O-N 3.35Å; G746-I749 PolarHBondContact O-N 2.92Å; I747-I749 VanDerWaalsContact C-N 3.31Å; I747-I749 PolarHBondContact O-N 3.43Å; I749-S751 PolarHBondContact O-N 2.93Å; I749-V752 PolarHBondContact O-N 2.77Å; I749-V752 VanDerWaalsContact O-N 3.16Å; I749-I753 HydrophobicContact CG2-CD1 4.42Å; I749-I753 PolarHBondContact O-N 3.34Å; I749-F866 HydrophobicContact CG2-CE1 4.14Å; I749-F866 HydrophobicContact CG2-CZ 3.95Å
750	L	93.4	Very high	93.4	Very high	60 Å²	60	22.5 Å²	22.5	31%	0.314	13%	0.129	S	C	.	.	H	α-helix	trans	-60.7	-30.8	179.4	-178.9	58.9	0	0	0	112.3	F571 I695 G746 I747 T754	F571-L750 HydrophobicContact CE1-CD2 3.92Å; F571-L750 HydrophobicContact CE2-CD2 4.41Å; F571-L750 HydrophobicContact CZ-CD2 3.47Å; F571-L750 VanDerWaalsContact CZ-CD2 3.47Å; I695-L750 HydrophobicContact CD1-CD2 4.38Å; G746-L750 WeakPolarHBondContact O-CB 3.18Å; G746-L750 PolarHBondContact O-N 2.89Å; I747-L750 PolarHBondContact O-N 2.87Å; L750-T754 WeakPolarHBondContact O-CB 3.19Å; L750-T754 PolarHBondContact O-N 3.35Å; L750-T754 PolarHBondContact O-OG1 2.87Å
751	S	93.8	Very high	93.3	Very high	1 Å²	1	23.9 Å²	23.9	1%	0.007	14%	0.139	C	C	.	.	H	α-helix	trans	-61.4	-44.9	174.6	170.4	0	0	0	0	113	T694 I747 I749 I753 T754 N755	T694-S751 PolarHBondContact O-OG 3.09Å; T694-S751 VanDerWaalsContact O-OG 3.07Å; I747-S751 WeakPolarHBondContact O-CB 3.33Å; I747-S751 PolarHBondContact O-N 3.5Å; I749-S751 PolarHBondContact O-N 2.93Å; S751-I753 PolarHBondContact O-N 3.28Å; S751-T754 PolarHBondContact O-N 3.47Å; S751-N755 WeakPolarHBondContact O-CB 3.49Å; S751-N755 PolarHBondContact O-N 3.03Å; S751-N755 PolarHBondContact O-ND2 2.91Å; S751-N755 PolarHBondContact OG-ND2 3.26Å
752	V	93.3	Very high	93.2	Very high	5 Å²	5	23 Å²	23	3%	0.03	14%	0.137	C	C	.	.	H	α-helix	trans	-59.6	-49.6	178.6	176.6	0	0	0	0	110.3	A405 I749 A756 V865 F866	A405-V752 HydrophobicContact CB-CG2 4.08Å; I749-V752 PolarHBondContact O-N 2.77Å; I749-V752 VanDerWaalsContact O-N 3.16Å; V752-A756 WeakPolarHBondContact O-CB 3.23Å; V752-A756 PolarHBondContact O-N 2.64Å; V752-A756 VanDerWaalsContact O-N 3.15Å; V752-V865 HydrophobicContact CB-CG1 4.27Å; V752-V865 HydrophobicContact CG1-CB 3.84Å; V752-V865 HydrophobicContact CG1-CG1 3.62Å; V752-V865 HydrophobicContact CG2-CG1 3.62Å; V752-F866 HydrophobicContact CB-CE1 4.02Å; V752-F866 HydrophobicContact CB-CZ 3.93Å; V752-F866 HydrophobicContact CG1-CD2 4.49Å; V752-F866 HydrophobicContact CG1-CE1 4.2Å; V752-F866 HydrophobicContact CG1-CE2 4.17Å; V752-F866 HydrophobicContact CG1-CZ 4Å; V752-F866 HydrophobicContact CG2-CE1 4.04Å; V752-F866 HydrophobicContact CG2-CZ 4.46Å
753	I	94.1	Very high	93	Very high	52 Å²	52	21.4 Å²	21.4	27%	0.267	12%	0.119	S	C	.	.	H	α-helix	trans	-61.8	-50.9	179.4	-58.9	171	0	0	0	110.2	I749 S751 N755 A756 F757 F866	I749-I753 HydrophobicContact CG2-CD1 4.42Å; I749-I753 PolarHBondContact O-N 3.34Å; S751-I753 PolarHBondContact O-N 3.28Å; I753-N755 PolarHBondContact O-N 3Å; I753-A756 WeakPolarHBondContact O-CB 3.37Å; I753-A756 PolarHBondContact O-N 3.4Å; I753-F757 HydrophobicContact CG2-CD2 3.86Å; I753-F757 HydrophobicContact CG2-CE2 3.85Å; I753-F757 WeakPolarHBondContact O-CD2 3.36Å; I753-F757 PolarHBondContact O-N 3.44Å; I753-F757 VanDerWaalsContact O-N 3.08Å; I753-F866 HydrophobicContact CG1-CE2 4.41Å; I753-F866 HydrophobicContact CG1-CZ 4.23Å
754	T	94	Very high	92.6	Very high	4 Å²	4	21.9 Å²	21.9	3%	0.025	12%	0.122	C	C	.	.	H	α-helix	trans	-63.3	-43.9	-175.8	-51.8	0	0	0	0	112	F579 F583 I695 F696 L750 S751 A756 F757 V758	F579-T754 HydrophobicContact CD1-CG2 4.5Å; F579-T754 HydrophobicContact CE1-CG2 3.76Å; F583-T754 HydrophobicContact CE2-CG2 4.16Å; F583-T754 HydrophobicContact CZ-CG2 3.84Å; I695-T754 HydrophobicContact CG2-CG2 3.62Å; I695-T754 WeakPolarHBondContact O-CB 3.48Å; I695-T754 VanDerWaalsContact O-CG2 3.27Å; I695-T754 WeakPolarHBondContact O-CG2 3.4Å; F696-T754 HydrophobicContact CD1-CG2 3.98Å; F696-T754 HydrophobicContact CE1-CG2 3.86Å; L750-T754 WeakPolarHBondContact O-CB 3.19Å; L750-T754 PolarHBondContact O-N 3.35Å; L750-T754 PolarHBondContact O-OG1 2.87Å; S751-T754 PolarHBondContact O-N 3.47Å; T754-A756 VanDerWaalsContact C-N 3.34Å; T754-A756 PolarHBondContact O-N 3.04Å; T754-F757 PolarHBondContact O-N 2.95Å; T754-V758 HydrophobicContact CG2-CG2 4.32Å; T754-V758 WeakPolarHBondContact O-CG2 3.49Å; T754-V758 PolarHBondContact O-N 3.13Å
755	N	93.5	Very high	92.4	Very high	3 Å²	3	24 Å²	24	2%	0.016	13%	0.132	C	C	.	.	H	α-helix	trans	-65.1	-36.6	177.3	-73.4	-71.8	0	0	0	112.2	A401 T694 I695 V697 A698 S751 I753 V758 I759	A401-N755 HydrophobicContact CB-CB 4.34Å; T694-N755 PolarHBondContact O-ND2 3.09Å; I695-N755 PolarHBondContact O-ND2 3.48Å; V697-N755 PolarHBondContact N-OD1 3.32Å; A698-N755 HydrophobicContact CB-CB 4.34Å; A698-N755 VanDerWaalsContact CB-OD1 3.31Å; A698-N755 WeakPolarHBondContact CB-OD1 3.23Å; A698-N755 PolarHBondContact N-OD1 2.84Å; S751-N755 WeakPolarHBondContact O-CB 3.49Å; S751-N755 PolarHBondContact O-N 3.03Å; S751-N755 PolarHBondContact O-ND2 2.91Å; S751-N755 PolarHBondContact OG-ND2 3.26Å; I753-N755 PolarHBondContact O-N 3Å; N755-V758 PolarHBondContact O-N 2.98Å; N755-I759 WeakPolarHBondContact O-CD1 3.3Å; N755-I759 WeakPolarHBondContact O-CG1 3.28Å; N755-I759 PolarHBondContact O-N 3.5Å
756	A	93.9	Very high	92.4	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-59.9	-46.3	174.3	0	0	0	0	0	111.5	V752 I753 T754 A760 I858 F861	V752-A756 WeakPolarHBondContact O-CB 3.23Å; V752-A756 PolarHBondContact O-N 2.64Å; V752-A756 VanDerWaalsContact O-N 3.15Å; I753-A756 WeakPolarHBondContact O-CB 3.37Å; I753-A756 PolarHBondContact O-N 3.4Å; T754-A756 VanDerWaalsContact C-N 3.34Å; T754-A756 PolarHBondContact O-N 3.04Å; A756-A760 VanDerWaalsContact O-CB 3.28Å; A756-A760 WeakPolarHBondContact O-CB 3.07Å; A756-A760 PolarHBondContact O-N 2.94Å; A756-I858 HydrophobicContact CB-CG2 4.34Å; A756-F861 HydrophobicContact CB-CD1 3.6Å; A756-F861 HydrophobicContact CB-CE1 4.1Å; A756-F861 HydrophobicContact CB-CG 4.29Å
757	F	93.7	Very high	92.3	Very high	82 Å²	82	19.8 Å²	19.8	36%	0.36	10%	0.103	S	C	.	.	H	α-helix	trans	-67.1	-38	175.4	-82.4	-79.5	0	0	0	113	F583 I753 T754 A760 V761 I858	F583-F757 HydrophobicContact CD1-CB 4.37Å; F583-F757 HydrophobicContact CE1-CB 3.54Å; F583-F757 HydrophobicContact CE2-CB 4.46Å; F583-F757 HydrophobicContact CZ-CB 3.58Å; I753-F757 HydrophobicContact CG2-CD2 3.86Å; I753-F757 HydrophobicContact CG2-CE2 3.85Å; I753-F757 WeakPolarHBondContact O-CD2 3.36Å; I753-F757 PolarHBondContact O-N 3.44Å; I753-F757 VanDerWaalsContact O-N 3.08Å; T754-F757 PolarHBondContact O-N 2.95Å; F757-A760 PolarHBondContact O-N 3.35Å; F757-V761 HydrophobicContact CD1-CG2 4.16Å; F757-V761 VanDerWaalsContact O-CB 3.27Å; F757-V761 WeakPolarHBondContact O-CB 3.3Å; F757-V761 WeakPolarHBondContact O-CG2 3Å; F757-V761 PolarHBondContact O-N 3.44Å; F757-I858 HydrophobicContact CD1-CD1 3.79Å; F757-I858 HydrophobicContact CE1-CD1 3.75Å; F757-I858 HydrophobicContact CE2-CG2 4.28Å; F757-I858 HydrophobicContact CG-CD1 4.43Å; F757-I858 HydrophobicContact CZ-CD1 4.34Å; F757-I858 HydrophobicContact CZ-CG2 4.34Å
758	V	93	Very high	92	Very high	1 Å²	1	21.4 Å²	21.4	1%	0.006	11%	0.108	C	C	.	.	I	π-helix	trans	-63.6	-46.1	176.7	167.8	0	0	0	0	111.2	F583 L616 F696 A698 A699 T754 N755 T762 S763	F583-V758 HydrophobicContact CE1-CG2 3.8Å; F583-V758 HydrophobicContact CZ-CG2 3.94Å; L616-V758 HydrophobicContact CD2-CG1 4.41Å; F696-V758 HydrophobicContact CD1-CG2 4.37Å; A698-V758 HydrophobicContact CB-CG1 4.13Å; A699-V758 HydrophobicContact CB-CG1 4.21Å; T754-V758 HydrophobicContact CG2-CG2 4.32Å; T754-V758 WeakPolarHBondContact O-CG2 3.49Å; T754-V758 PolarHBondContact O-N 3.13Å; N755-V758 PolarHBondContact O-N 2.98Å; V758-T762 WeakPolarHBondContact O-CB 3.49Å; V758-T762 PolarHBondContact O-N 3.36Å; V758-S763 PolarHBondContact O-N 3.47Å
759	I	92.6	Very high	91.8	Very high	3 Å²	3	24.3 Å²	24.3	2%	0.015	12%	0.122	C	C	.	.	I	π-helix	trans	-67.6	-36.4	178.7	-65.7	161.1	0	0	0	111.5	V398 A401 A698 N755 S763 F765 F857 F861	V398-I759 HydrophobicContact CG1-CD1 4.41Å; V398-I759 HydrophobicContact CG2-CG2 3.93Å; A401-I759 HydrophobicContact CB-CD1 3.69Å; A698-I759 HydrophobicContact CB-CD1 3.94Å; A698-I759 HydrophobicContact CB-CG1 3.72Å; N755-I759 WeakPolarHBondContact O-CD1 3.3Å; N755-I759 WeakPolarHBondContact O-CG1 3.28Å; N755-I759 PolarHBondContact O-N 3.5Å; I759-S763 WeakPolarHBondContact O-CB 3.47Å; I759-F765 HydrophobicContact CG2-CD1 4.12Å; I759-F857 HydrophobicContact CB-CE1 3.92Å; I759-F857 HydrophobicContact CB-CZ 4.35Å; I759-F857 HydrophobicContact CG2-CD1 4.46Å; I759-F857 HydrophobicContact CG2-CE1 3.52Å; I759-F857 HydrophobicContact CG2-CZ 3.58Å; I759-F861 HydrophobicContact CD1-CE2 4.06Å; I759-F861 HydrophobicContact CD1-CZ 4.23Å
760	A	92.4	Very high	91.8	Very high	0 Å²	0	22 Å²	22	0%	0	11%	0.111	C	C	.	.	I	π-helix	trans	-76.8	-49	179.2	0	0	0	0	0	112.9	A756 F757 R854 F857 I858	A756-A760 VanDerWaalsContact O-CB 3.28Å; A756-A760 WeakPolarHBondContact O-CB 3.07Å; A756-A760 PolarHBondContact O-N 2.94Å; F757-A760 PolarHBondContact O-N 3.35Å; A760-R854 HydrophobicContact CB-CB 4.4Å; A760-R854 HydrophobicContact CB-CG 4.5Å; A760-R854 WeakPolarHBondContact O-CD 3.4Å; A760-R854 WeakPolarHBondContact O-CG 3.39Å; A760-R854 PolarHBondContact O-NE 2.84Å; A760-R854 PolarHBondContact O-NH2 3.41Å; A760-F857 HydrophobicContact CB-CD1 4.23Å; A760-I858 HydrophobicContact CB-CD1 3.73Å; A760-I858 HydrophobicContact CB-CG1 3.53Å
761	V	90.3	Very high	91.6	Very high	42 Å²	42	20.4 Å²	20.4	26%	0.255	10%	0.101	S	C	.	.	I	π-helix	trans	-96	-46.7	-166.5	-175.7	0	0	0	0	112.5	F757 R854	F757-V761 HydrophobicContact CD1-CG2 4.16Å; F757-V761 VanDerWaalsContact O-CB 3.27Å; F757-V761 WeakPolarHBondContact O-CB 3.3Å; F757-V761 WeakPolarHBondContact O-CG2 3Å; F757-V761 PolarHBondContact O-N 3.44Å; V761-R854 PolarHBondContact O-NH2 2.99Å
762	T	89.7	Confident	91.3	Very high	8 Å²	8	20.6 Å²	20.6	5%	0.049	10%	0.102	C	C	.	.	I	π-helix	trans	-89.4	-33.5	-170.2	-34.8	0	0	0	0	112.9	A582 C612 L613 L616 V758	A582-T762 WeakPolarHBondContact O-CG2 3.39Å; A582-T762 PolarHBondContact O-OG1 3.49Å; C612-T762 HydrophobicContact CB-CG2 4.27Å; L613-T762 HydrophobicContact CB-CG2 4.4Å; L616-T762 HydrophobicContact CD2-CG2 4.19Å; V758-T762 WeakPolarHBondContact O-CB 3.49Å; V758-T762 PolarHBondContact O-N 3.36Å
763	S	89.9	Confident	91	Very high	4 Å²	4	25.9 Å²	25.9	3%	0.028	12%	0.123	C	C	.	.	S	Bend	trans	-82.2	152.8	175.7	159.3	0	0	0	0	112.6	D393 V758 I759 F765	D393-S763 VanDerWaalsContact CG-OG 3.27Å; D393-S763 WeakPolarHBondContact OD1-CB 3.5Å; D393-S763 PolarHBondContact OD1-OG 2.85Å; D393-S763 PolarHBondContact OD2-OG 3.3Å; V758-S763 PolarHBondContact O-N 3.47Å; I759-S763 WeakPolarHBondContact O-CB 3.47Å; S763-F765 VanDerWaalsContact C-N 3.28Å; S763-F765 VanDerWaalsContact OG-CB 3.24Å; S763-F765 WeakPolarHBondContact OG-CB 3.38Å; S763-F765 PolarHBondContact OG-N 3.42Å
764	D	87.8	Confident	90.7	Very high	20 Å²	20	28.6 Å²	28.6	11%	0.107	13%	0.132	C	C	.	.	S	Bend	trans	-86.8	6.6	173.2	-93	32.3	0	0	0	113	D393 P767 R768 Y792 R829	D393-D764 PolarHBondContact OD2-N 3.18Å; D764-P767 WeakPolarHBondContact O-CD 3.26Å; D764-R768 VanDerWaalsContact C-NE 3.31Å; D764-R768 VanDerWaalsContact O-CB 3.3Å; D764-R768 WeakPolarHBondContact O-CB 3.36Å; D764-R768 WeakPolarHBondContact O-CG 3.41Å; D764-R768 PolarHBondContact O-N 3.49Å; D764-R768 VanDerWaalsContact O-N 3.09Å; D764-R768 PolarHBondContact O-NE 3.16Å; D764-Y792 PolarHBondContact OD2-OH 3.37Å; D764-R829 VanDerWaalsContact CG-NH2 3.34Å; D764-R829 IonicContact OD1-CZ 2.87Å; D764-R829 IonicContact OD1-NH1 3.19Å; D764-R829 IonicContact OD1-NH2 2.72Å; D764-R829 PolarHBondContact OD1-NH2 2.97Å; D764-R829 IonicContact OD2-CZ 3.55Å; D764-R829 IonicContact OD2-NH1 3.99Å; D764-R829 PolarHBondContact OD2-NH1 3.41Å; D764-R829 IonicContact OD2-NH2 3.93Å; D764-R829 PolarHBondContact OD2-NH2 3.39Å
765	F	90	Very high	90.4	Very high	45 Å²	45	32 Å²	32	20%	0.197	15%	0.145	C	C	.	.	H	α-helix	trans	-58.6	-51.2	-179.2	-178.3	-105.6	0	0	0	112.5	V398 I759 S763 R768 L769 F857	V398-F765 HydrophobicContact CG2-CD1 3.91Å; V398-F765 HydrophobicContact CG2-CD2 4.01Å; V398-F765 HydrophobicContact CG2-CE1 4.03Å; V398-F765 HydrophobicContact CG2-CE2 4.12Å; V398-F765 HydrophobicContact CG2-CG 3.91Å; V398-F765 HydrophobicContact CG2-CZ 4.13Å; I759-F765 HydrophobicContact CG2-CD1 4.12Å; S763-F765 VanDerWaalsContact C-N 3.28Å; S763-F765 VanDerWaalsContact OG-CB 3.24Å; S763-F765 WeakPolarHBondContact OG-CB 3.38Å; S763-F765 PolarHBondContact OG-N 3.42Å; F765-R768 PolarHBondContact O-N 3.34Å; F765-L769 HydrophobicContact CE1-CD2 4.37Å; F765-L769 WeakPolarHBondContact O-CB 3.36Å; F765-L769 PolarHBondContact O-N 3.11Å; F765-F857 HydrophobicContact CE1-CE2 4.44Å
766	I	91.7	Very high	90	Very high	4 Å²	4	32.1 Å²	32.1	2%	0.021	15%	0.147	C	C	.	.	H	α-helix	trans	-67.4	-45.7	-177.8	-54.5	-61	0	0	0	113	R768 L769 V770 A853 R854 F857	I766-R768 PolarHBondContact O-N 3.47Å; I766-L769 PolarHBondContact O-N 3.38Å; I766-V770 HydrophobicContact CG2-CG2 4.35Å; I766-V770 WeakPolarHBondContact O-CG2 3.46Å; I766-V770 PolarHBondContact O-N 3.16Å; I766-A853 HydrophobicContact CG2-CB 3.77Å; I766-R854 HydrophobicContact CB-CG 4.11Å; I766-R854 HydrophobicContact CG2-CG 3.8Å; I766-F857 HydrophobicContact CD1-CB 3.8Å; I766-F857 HydrophobicContact CD1-CD1 4.09Å; I766-F857 HydrophobicContact CD1-CD2 3.59Å; I766-F857 HydrophobicContact CD1-CE2 4.18Å; I766-F857 HydrophobicContact CD1-CG 3.53Å; I766-F857 HydrophobicContact CG1-CB 4.46Å; I766-F857 HydrophobicContact CG1-CG 4.35Å
767	P	90.8	Very high	89.5	Confident	2 Å²	2	36.2 Å²	36.2	1%	0.013	17%	0.174	C	C	.	.	H	α-helix	trans	-59.4	-43.3	174.1	-24.7	33.9	0	0	0	113.6	D764 L769 V770 Y771 Y792 V850	D764-P767 WeakPolarHBondContact O-CD 3.26Å; P767-L769 VanDerWaalsContact C-N 3.32Å; P767-L769 PolarHBondContact O-N 3.45Å; P767-V770 PolarHBondContact O-N 3.31Å; P767-Y771 WeakPolarHBondContact O-CB 3.41Å; P767-Y771 PolarHBondContact O-N 3.01Å; P767-Y792 HydrophobicContact CB-CE2 4.5Å; P767-V850 HydrophobicContact CB-CG1 4.36Å; P767-V850 HydrophobicContact CG-CG1 3.97Å
768	R	89	Confident	88.7	Confident	39 Å²	39	33.3 Å²	33.3	15%	0.147	16%	0.163	C	C	.	.	H	α-helix	trans	-59	-43.3	174.6	-73.6	178.7	-71.8	172.2	-4.6	111.5	D393 D764 F765 I766 Y771 A772 M789 Y792	D393-R768 PolarHBondContact O-NH1 3.12Å; D393-R768 PolarHBondContact O-NH2 3.03Å; D393-R768 IonicContact OD1-NH2 3.32Å; D393-R768 PolarHBondContact OD1-NH2 3.14Å; D393-R768 VanDerWaalsContact OD1-NH2 3.1Å; D393-R768 IonicContact OD2-CZ 2.75Å; D393-R768 IonicContact OD2-NH2 3.49Å; D393-R768 PolarHBondContact OD2-NH2 2.97Å; D764-R768 VanDerWaalsContact C-NE 3.31Å; D764-R768 VanDerWaalsContact O-CB 3.3Å; D764-R768 WeakPolarHBondContact O-CB 3.36Å; D764-R768 WeakPolarHBondContact O-CG 3.41Å; D764-R768 PolarHBondContact O-N 3.49Å; D764-R768 VanDerWaalsContact O-N 3.09Å; D764-R768 PolarHBondContact O-NE 3.16Å; F765-R768 PolarHBondContact O-N 3.34Å; I766-R768 PolarHBondContact O-N 3.47Å; R768-Y771 PolarHBondContact O-N 3.49Å; R768-A772 PolarHBondContact O-N 3.44Å; R768-M789 HydrophobicContact CB-CE 3.66Å; R768-M789 HydrophobicContact CB-SD 4.36Å; R768-M789 HydrophobicContact CG-CE 3.68Å; R768-Y792 HydrophobicContact CB-CE2 4.42Å; R768-Y792 HydrophobicContact CG-CD1 4.37Å; R768-Y792 HydrophobicContact CG-CD2 4.39Å; R768-Y792 HydrophobicContact CG-CE1 3.84Å; R768-Y792 HydrophobicContact CG-CE2 3.86Å
769	L	89.3	Confident	88	Confident	67 Å²	67	35.4 Å²	35.4	35%	0.351	18%	0.181	S	C	.	.	H	α-helix	trans	-64.4	-45.9	178.8	-165.6	71	0	0	0	112.3	F765 I766 P767 Y771 A772 Y773	F765-L769 HydrophobicContact CE1-CD2 4.37Å; F765-L769 WeakPolarHBondContact O-CB 3.36Å; F765-L769 PolarHBondContact O-N 3.11Å; I766-L769 PolarHBondContact O-N 3.38Å; P767-L769 VanDerWaalsContact C-N 3.32Å; P767-L769 PolarHBondContact O-N 3.45Å; L769-Y771 VanDerWaalsContact C-N 3.32Å; L769-Y771 PolarHBondContact O-N 3.27Å; L769-A772 PolarHBondContact O-N 2.9Å; L769-Y773 HydrophobicContact CD1-CD2 4.13Å; L769-Y773 HydrophobicContact CD1-CE2 3.75Å; L769-Y773 HydrophobicContact CG-CD2 4.22Å; L769-Y773 HydrophobicContact CG-CE2 4.26Å; L769-Y773 WeakPolarHBondContact O-CD2 3.46Å; L769-Y773 PolarHBondContact O-N 2.96Å
770	V	91.3	Very high	86.9	Confident	19 Å²	19	39 Å²	39	12%	0.115	22%	0.219	C	C	.	.	H	α-helix	trans	-63.3	-39	177	172	0	0	0	0	111.2	I766 P767 K774 Y775 H849 V850 A853	I766-V770 HydrophobicContact CG2-CG2 4.35Å; I766-V770 WeakPolarHBondContact O-CG2 3.46Å; I766-V770 PolarHBondContact O-N 3.16Å; P767-V770 PolarHBondContact O-N 3.31Å; V770-K774 WeakPolarHBondContact O-CB 3.3Å; V770-K774 PolarHBondContact O-N 3.48Å; V770-Y775 HydrophobicContact CG1-CE2 4.41Å; V770-H849 HydrophobicContact CG1-CB 4.2Å; V770-V850 HydrophobicContact CB-CG2 4.16Å; V770-V850 HydrophobicContact CG1-CG2 3.95Å; V770-A853 HydrophobicContact CG2-CB 3.46Å; V770-A853 VanDerWaalsContact CG2-CB 3.46Å
771	Y	90	Very high	85.9	Confident	28 Å²	28	45.5 Å²	45.5	11%	0.11	25%	0.249	C	C	.	.	H	α-helix	trans	-61.2	-55.7	173.7	-175.7	-100.3	0	0	0	111.4	P767 R768 L769 Y773 K774 Y775 G776 M789 M790 G791 Y792 A795	P767-Y771 WeakPolarHBondContact O-CB 3.41Å; P767-Y771 PolarHBondContact O-N 3.01Å; R768-Y771 PolarHBondContact O-N 3.49Å; L769-Y771 VanDerWaalsContact C-N 3.32Å; L769-Y771 PolarHBondContact O-N 3.27Å; Y771-Y773 VanDerWaalsContact C-N 3.27Å; Y771-Y773 PolarHBondContact O-N 3.2Å; Y771-Y773 VanDerWaalsContact O-N 3.16Å; Y771-K774 PolarHBondContact O-N 3.38Å; Y771-Y775 CarbonylContact O-C 3.57Å; Y771-Y775 PolarHBondContact O-N 3.09Å; Y771-G776 VanDerWaalsContact CE1-CA 3.46Å; Y771-G776 PolarHBondContact O-N 2.94Å; Y771-M789 HydrophobicContact CD1-CE 4.34Å; Y771-M790 PolarHBondContact OH-O 3.43Å; Y771-G791 VanDerWaalsContact OH-C 3.31Å; Y771-Y792 AromaticContact CD1-CD2 3.92Å; Y771-Y792 HydrophobicContact CD1-CD2 3.92Å; Y771-Y792 HydrophobicContact CD1-CG 4.39Å; Y771-Y792 HydrophobicContact CD2-CD2 4.35Å; Y771-Y792 AromaticContact CG-CD2 3.75Å; Y771-Y792 HydrophobicContact CG-CD2 3.75Å; Y771-A795 HydrophobicContact CD2-CB 4.08Å; Y771-A795 HydrophobicContact CE2-CB 3.45Å; Y771-A795 VanDerWaalsContact CE2-CB 3.45Å
772	A	87.4	Confident	84.6	Confident	4 Å²	4	46.2 Å²	46.2	3%	0.033	27%	0.265	C	S	.	.	H	α-helix	trans	-54.6	-38.4	-175.9	0	0	0	0	0	114	R768 L769 A784 M789	R768-A772 PolarHBondContact O-N 3.44Å; L769-A772 PolarHBondContact O-N 2.9Å; A772-A784 HydrophobicContact CB-CB 4.27Å; A772-M789 HydrophobicContact CB-SD 3.9Å
773	Y	87.3	Confident	83.4	Confident	117 Å²	117	55.1 Å²	55.1	46%	0.459	30%	0.298	S	S	.	.	H	α-helix	trans	-85.8	-27.3	-178.7	-80.6	-74.3	0	0	0	115	L769 Y771 G780 A784	L769-Y773 HydrophobicContact CD1-CD2 4.13Å; L769-Y773 HydrophobicContact CD1-CE2 3.75Å; L769-Y773 HydrophobicContact CG-CD2 4.22Å; L769-Y773 HydrophobicContact CG-CE2 4.26Å; L769-Y773 WeakPolarHBondContact O-CD2 3.46Å; L769-Y773 PolarHBondContact O-N 2.96Å; Y771-Y773 VanDerWaalsContact C-N 3.27Å; Y771-Y773 PolarHBondContact O-N 3.2Å; Y771-Y773 VanDerWaalsContact O-N 3.16Å; Y773-G780 PolarHBondContact O-N 2.75Å; Y773-A784 HydrophobicContact CE2-CB 3.95Å
774	K	88.1	Confident	82	Confident	108 Å²	108	57.5 Å²	57.5	47%	0.47	32%	0.318	S	S	.	.	H	α-helix	trans	-122.5	-24.4	-169.3	-171.1	164.4	-174.8	163.7	0	116	V770 Y771 H849	V770-K774 WeakPolarHBondContact O-CB 3.3Å; V770-K774 PolarHBondContact O-N 3.48Å; Y771-K774 PolarHBondContact O-N 3.38Å; K774-H849 PolarHBondContact NZ-CD2 3Å; K774-H849 PolarHBondContact NZ-CE1 3.37Å; K774-H849 VanDerWaalsContact NZ-CE1 3.28Å; K774-H849 PolarHBondContact NZ-NE2 2.62Å
775	Y	86.8	Confident	80.8	Confident	76 Å²	76	58.4 Å²	58.4	30%	0.298	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-131.9	-21.5	-169.7	-65.7	-72.5	0	0	0	115.1	V770 Y771 Q846 H849	V770-Y775 HydrophobicContact CG1-CE2 4.41Å; Y771-Y775 CarbonylContact O-C 3.57Å; Y771-Y775 PolarHBondContact O-N 3.09Å; Y775-Q846 HydrophobicContact CD1-CG 4.5Å; Y775-Q846 HydrophobicContact CE1-CG 3.96Å; Y775-Q846 HydrophobicContact CE2-CB 4.4Å; Y775-Q846 HydrophobicContact CE2-CG 4.06Å; Y775-H849 PolarHBondContact OH-ND1 3.45Å
776	G	85	Confident	79.6	Confident	6 Å²	6	61.6 Å²	61.6	6%	0.062	35%	0.347	C	S	.	.	S	Bend	trans	-77.4	173.5	174.1	0	0	0	0	0	113.2	Y771 C778 A779	Y771-G776 VanDerWaalsContact CE1-CA 3.46Å; Y771-G776 PolarHBondContact O-N 2.94Å; G776-C778 PolarHBondContact O-N 3.17Å; G776-A779 VanDerWaalsContact O-CB 3.27Å; G776-A779 WeakPolarHBondContact O-CB 3.37Å; G776-A779 PolarHBondContact O-N 3.14Å
777	P	82.6	Confident	78.4	Confident	86 Å²	86	63.9 Å²	63.9	56%	0.558	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.8	-10.5	-174.3	24	-34.4	0	0	0	115.5	G787 M790	P777-G787 WeakPolarHBondContact CG-O 3.42Å; P777-M790 WeakPolarHBondContact CD-O 3.46Å
778	C	78.3	Confident	78	Confident	20 Å²	20	64.2 Å²	64.2	14%	0.135	38%	0.375	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.6	8.2	173.5	-56.1	0	0	0	0	114	G776 G780 Q781 C788	G776-C778 PolarHBondContact O-N 3.17Å; C778-G780 PolarHBondContact O-N 3.41Å; C778-Q781 WeakPolarHBondContact O-CB 3.39Å; C778-Q781 PolarHBondContact O-N 3.27Å; C778-C788 HydrophobicContact CB-CB 3.55Å; C778-C788 WeakPolarHBondContact CB-SG 3.36Å; C778-C788 WeakPolarHBondContact SG-CA 3.45Å; C778-C788 WeakPolarHBondContact SG-CB 3.49Å; C778-C788 CovalentContact SG-SG 2.03Å; C778-C788 PolarHBondContact SG-SG 3.25Å
779	A	77	Confident	77.6	Confident	45 Å²	45	63.7 Å²	63.7	37%	0.372	37%	0.374	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.4	133	-175.9	0	0	0	0	0	112.2	G776 Q781	G776-A779 VanDerWaalsContact O-CB 3.27Å; G776-A779 WeakPolarHBondContact O-CB 3.37Å; G776-A779 PolarHBondContact O-N 3.14Å; A779-Q781 PolarHBondContact O-N 2.85Å
780	G	71.1	Confident	77.4	Confident	79 Å²	79	65.4 Å²	65.4	81%	0.814	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.5	-11.9	-177.8	0	0	0	0	0	116.3	Y773 C778 G782	Y773-G780 PolarHBondContact O-N 2.75Å; C778-G780 PolarHBondContact O-N 3.41Å; G780-G782 VanDerWaalsContact C-N 3.29Å; G780-G782 PolarHBondContact O-N 2.99Å
781	Q	71.1	Confident	77.2	Confident	136 Å²	136	65.8 Å²	65.8	64%	0.636	39%	0.39	S	S	*	.	S	Bend	trans	-81.7	-2.2	179.8	-59.3	-172.6	0.2	0	0	114.3	C778 A779 R783	C778-Q781 WeakPolarHBondContact O-CB 3.39Å; C778-Q781 PolarHBondContact O-N 3.27Å; A779-Q781 PolarHBondContact O-N 2.85Å; Q781-R783 PolarHBondContact O-N 3.36Å; Q781-R783 VanDerWaalsContact O-N 3.16Å
782	G	63.3	Low	77.1	Confident	58 Å²	58	64.7 Å²	64.7	60%	0.598	39%	0.385	S	S	*	.	S	Bend	trans	67.6	11.3	177.5	0	0	0	0	0	115.4	G780	G780-G782 VanDerWaalsContact C-N 3.29Å; G780-G782 PolarHBondContact O-N 2.99Å
783	R	63	Low	77.2	Confident	195 Å²	195	65 Å²	65	74%	0.736	39%	0.387	S	S	*	.			trans	-120.8	129.6	-179.9	-66.7	178.7	177.6	178	-0.7	110.3	Q781	Q781-R783 PolarHBondContact O-N 3.36Å; Q781-R783 VanDerWaalsContact O-N 3.16Å
784	A	60.6	Low	77.2	Confident	53 Å²	53	64.3 Å²	64.3	44%	0.438	39%	0.391	S	S	.	.			trans	-107.9	131	167.4	0	0	0	0	0	109.4	A772 Y773	A772-A784 HydrophobicContact CB-CB 4.27Å; Y773-A784 HydrophobicContact CE2-CB 3.95Å
785	G	64.4	Low	77.2	Confident	40 Å²	40	60.9 Å²	60.9	41%	0.412	38%	0.382	S	S	.	.			trans	-162.7	174.1	178.9	0	0	0	0	0	110.3	G787 C788	G785-G787 PolarHBondContact O-N 3.15Å; G785-C788 PolarHBondContact N-SG 3.02Å; G785-C788 WeakPolarHBondContact O-CA 3.45Å; G785-C788 WeakPolarHBondContact O-CB 3.48Å; G785-C788 PolarHBondContact O-N 3.41Å
786	E	63.9	Low	77.3	Confident	111 Å²	111	57.7 Å²	57.7	52%	0.519	37%	0.371	S	S	.	.	G	3₁₀ helix	trans	-61.1	-40.4	-169.4	-63.4	-179.5	145.8	0	0	113.2	C788 M789	E786-C788 PolarHBondContact O-N 2.78Å; E786-C788 VanDerWaalsContact O-N 3.15Å; E786-M789 WeakPolarHBondContact O-CB 3.46Å; E786-M789 PolarHBondContact O-N 3.43Å
787	G	67.2	Low	77.6	Confident	53 Å²	53	58.4 Å²	58.4	55%	0.546	37%	0.374	S	S	.	.	G	3₁₀ helix	trans	-62.3	-19	173.6	0	0	0	0	0	114.5	P777 G785 M789	P777-G787 WeakPolarHBondContact CG-O 3.42Å; G785-G787 PolarHBondContact O-N 3.15Å; G787-M789 VanDerWaalsContact C-N 3.29Å
788	C	80.7	Confident	78	Confident	9 Å²	9	54.6 Å²	54.6	6%	0.061	35%	0.349	C	S	.	.	G	3₁₀ helix	trans	-80.7	-8.6	176.1	-49.5	0	0	0	0	113.4	C778 G785 E786	C778-C788 HydrophobicContact CB-CB 3.55Å; C778-C788 WeakPolarHBondContact CB-SG 3.36Å; C778-C788 WeakPolarHBondContact SG-CA 3.45Å; C778-C788 WeakPolarHBondContact SG-CB 3.49Å; C778-C788 CovalentContact SG-SG 2.03Å; C778-C788 PolarHBondContact SG-SG 3.25Å; G785-C788 PolarHBondContact N-SG 3.02Å; G785-C788 WeakPolarHBondContact O-CA 3.45Å; G785-C788 WeakPolarHBondContact O-CB 3.48Å; G785-C788 PolarHBondContact O-N 3.41Å; E786-C788 PolarHBondContact O-N 2.78Å; E786-C788 VanDerWaalsContact O-N 3.15Å
789	M	81.4	Confident	78.7	Confident	28 Å²	28	55.8 Å²	55.8	14%	0.138	36%	0.356	C	S	.	.	G	3₁₀ helix	trans	-93.4	-8.5	177.9	-65.8	-56.2	-50	0	0	113.5	A353 V354 R768 Y771 A772 E786 G787 G791 Y792	A353-M789 HydrophobicContact CB-CB 4.15Å; V354-M789 HydrophobicContact CG2-CE 4.05Å; R768-M789 HydrophobicContact CB-CE 3.66Å; R768-M789 HydrophobicContact CB-SD 4.36Å; R768-M789 HydrophobicContact CG-CE 3.68Å; Y771-M789 HydrophobicContact CD1-CE 4.34Å; A772-M789 HydrophobicContact CB-SD 3.9Å; E786-M789 WeakPolarHBondContact O-CB 3.46Å; E786-M789 PolarHBondContact O-N 3.43Å; G787-M789 VanDerWaalsContact C-N 3.29Å; M789-G791 PolarHBondContact O-N 3.27Å; M789-Y792 HydrophobicContact CE-CD1 4.31Å; M789-Y792 HydrophobicContact CE-CD2 3.85Å; M789-Y792 HydrophobicContact CE-CG 3.71Å; M789-Y792 WeakPolarHBondContact O-CB 3.44Å; M789-Y792 PolarHBondContact O-N 3.04Å
790	M	85.1	Confident	79.4	Confident	103 Å²	103	53.7 Å²	53.7	51%	0.507	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60	126.3	179.4	-63.8	-58.5	-52.8	0	0	110.9	A353 E357 Y771 P777	A353-M790 HydrophobicContact CB-SD 3.98Å; E357-M790 WeakPolarHBondContact OE1-CA 3.49Å; Y771-M790 PolarHBondContact OH-O 3.43Å; P777-M790 WeakPolarHBondContact CD-O 3.46Å
791	G	86.6	Confident	80.4	Confident	27 Å²	27	53.5 Å²	53.5	28%	0.278	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	92.3	-3	-175.9	0	0	0	0	0	114.9	E357 Y771 M789 V793 N794 A795	E357-G791 PolarHBondContact OE1-N 3.44Å; Y771-G791 VanDerWaalsContact OH-C 3.31Å; M789-G791 PolarHBondContact O-N 3.27Å; G791-V793 PolarHBondContact O-N 3.48Å; G791-N794 PolarHBondContact O-N 3.44Å; G791-A795 PolarHBondContact O-N 2.88Å
792	Y	89.1	Confident	81.2	Confident	4 Å²	4	48 Å²	48	2%	0.016	29%	0.288	C	S	.	.	H	α-helix	trans	-57.4	-44.5	-177.7	171.1	-100.9	0	0	0	112.6	V354 E357 D764 P767 R768 Y771 M789 N794 A795 S796	V354-Y792 HydrophobicContact CB-CD1 4.45Å; V354-Y792 HydrophobicContact CG1-CD1 3.86Å; V354-Y792 HydrophobicContact CG1-CE1 4.1Å; V354-Y792 HydrophobicContact CG2-CD1 3.7Å; V354-Y792 HydrophobicContact CG2-CE1 4.4Å; V354-Y792 HydrophobicContact CG2-CG 4.32Å; E357-Y792 PolarHBondContact OE2-N 3.11Å; D764-Y792 PolarHBondContact OD2-OH 3.37Å; P767-Y792 HydrophobicContact CB-CE2 4.5Å; R768-Y792 HydrophobicContact CB-CE2 4.42Å; R768-Y792 HydrophobicContact CG-CD1 4.37Å; R768-Y792 HydrophobicContact CG-CD2 4.39Å; R768-Y792 HydrophobicContact CG-CE1 3.84Å; R768-Y792 HydrophobicContact CG-CE2 3.86Å; Y771-Y792 AromaticContact CD1-CD2 3.92Å; Y771-Y792 HydrophobicContact CD1-CD2 3.92Å; Y771-Y792 HydrophobicContact CD1-CG 4.39Å; Y771-Y792 HydrophobicContact CD2-CD2 4.35Å; Y771-Y792 AromaticContact CG-CD2 3.75Å; Y771-Y792 HydrophobicContact CG-CD2 3.75Å; M789-Y792 HydrophobicContact CE-CD1 4.31Å; M789-Y792 HydrophobicContact CE-CD2 3.85Å; M789-Y792 HydrophobicContact CE-CG 3.71Å; M789-Y792 WeakPolarHBondContact O-CB 3.44Å; M789-Y792 PolarHBondContact O-N 3.04Å; Y792-N794 VanDerWaalsContact C-N 3.34Å; Y792-N794 PolarHBondContact O-N 3.29Å; Y792-A795 PolarHBondContact O-N 3.24Å; Y792-S796 WeakPolarHBondContact O-CB 3.41Å; Y792-S796 PolarHBondContact O-N 3.29Å; Y792-S796 PolarHBondContact O-OG 3.26Å
793	V	88.4	Confident	82.2	Confident	12 Å²	12	49.5 Å²	49.5	7%	0.073	29%	0.29	C	S	.	.	H	α-helix	trans	-62.9	-45	-177.5	176.6	0	0	0	0	110.1	V354 E357 I358 L379 G791 A795 S796 L797	V354-V793 HydrophobicContact CG1-CG2 3.92Å; E357-V793 HydrophobicContact CB-CB 4.06Å; E357-V793 HydrophobicContact CB-CG2 3.6Å; E357-V793 VanDerWaalsContact OE2-CB 3.28Å; E357-V793 WeakPolarHBondContact OE2-CB 3.24Å; E357-V793 VanDerWaalsContact OE2-CG2 3.27Å; E357-V793 WeakPolarHBondContact OE2-CG2 3.36Å; E357-V793 PolarHBondContact OE2-N 3Å; I358-V793 HydrophobicContact CD1-CG2 4.45Å; I358-V793 HydrophobicContact CG1-CG1 4.2Å; I358-V793 HydrophobicContact CG1-CG2 3.9Å; L379-V793 HydrophobicContact CD2-CG1 3.57Å; G791-V793 PolarHBondContact O-N 3.48Å; V793-A795 VanDerWaalsContact C-N 3.32Å; V793-A795 PolarHBondContact O-N 3.21Å; V793-S796 PolarHBondContact O-N 2.89Å; V793-S796 PolarHBondContact O-OG 3.27Å; V793-L797 HydrophobicContact CG1-CD1 4.04Å; V793-L797 WeakPolarHBondContact O-CD1 3.28Å; V793-L797 WeakPolarHBondContact O-CG 3.43Å
794	N	88.5	Confident	83.4	Confident	102 Å²	102	43 Å²	43	55%	0.545	27%	0.269	S	S	.	.	H	α-helix	trans	-64.5	-34.2	178.3	-167.7	56.9	0	0	0	112.7	G791 Y792 R827	G791-N794 PolarHBondContact O-N 3.44Å; Y792-N794 VanDerWaalsContact C-N 3.34Å; Y792-N794 PolarHBondContact O-N 3.29Å; N794-R827 PolarHBondContact OD1-NH1 3.02Å; N794-R827 PolarHBondContact OD1-NH2 2.87Å
795	A	87.4	Confident	84.6	Confident	35 Å²	35	41.3 Å²	41.3	29%	0.289	25%	0.252	S	S	.	.	H	α-helix	trans	-78.2	-26.2	176.3	0	0	0	0	0	114	Y771 G791 Y792 V793 L797	Y771-A795 HydrophobicContact CD2-CB 4.08Å; Y771-A795 HydrophobicContact CE2-CB 3.45Å; Y771-A795 VanDerWaalsContact CE2-CB 3.45Å; G791-A795 PolarHBondContact O-N 2.88Å; Y792-A795 PolarHBondContact O-N 3.24Å; V793-A795 VanDerWaalsContact C-N 3.32Å; V793-A795 PolarHBondContact O-N 3.21Å; A795-L797 VanDerWaalsContact C-N 3.26Å; A795-L797 PolarHBondContact O-N 3.21Å
796	S	89.4	Confident	85.5	Confident	9 Å²	9	42.5 Å²	42.5	6%	0.063	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80	-0.7	179.9	73.6	0	0	0	0	114.9	Y792 V793	Y792-S796 WeakPolarHBondContact O-CB 3.41Å; Y792-S796 PolarHBondContact O-N 3.29Å; Y792-S796 PolarHBondContact O-OG 3.26Å; V793-S796 PolarHBondContact O-N 2.89Å; V793-S796 PolarHBondContact O-OG 3.27Å
797	L	90.8	Very high	86.3	Confident	22 Å²	22	46.4 Å²	46.4	12%	0.115	26%	0.263	C	S	.	.			trans	-119.5	117.2	-171.7	-71.7	169.3	0	0	0	111.1	M366 L379 V793 A795 R827 R829	M366-L797 HydrophobicContact CE-CD1 3.93Å; M366-L797 HydrophobicContact CE-CD2 4.12Å; M366-L797 HydrophobicContact SD-CD2 4.02Å; L379-L797 HydrophobicContact CD2-CD1 4.04Å; V793-L797 HydrophobicContact CG1-CD1 4.04Å; V793-L797 WeakPolarHBondContact O-CD1 3.28Å; V793-L797 WeakPolarHBondContact O-CG 3.43Å; A795-L797 VanDerWaalsContact C-N 3.26Å; A795-L797 PolarHBondContact O-N 3.21Å; L797-R827 HydrophobicContact CB-CB 4.38Å; L797-R829 HydrophobicContact CD2-CB 4.41Å
798	S	91.6	Very high	86.7	Confident	6 Å²	6	51.4 Å²	51.4	4%	0.042	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76	146.1	170.2	-69.2	0	0	0	0	111.3	R827 Y828 D830 R832	S798-R827 VanDerWaalsContact O-CA 3.29Å; S798-R827 WeakPolarHBondContact O-CA 3.49Å; S798-Y828 VanDerWaalsContact CB-CE1 3.48Å; S798-Y828 PolarHBondContact N-O 3.4Å; S798-Y828 WeakPolarHBondContact O-CD1 3.49Å; S798-Y828 PolarHBondContact O-N 3Å; S798-D830 VanDerWaalsContact OG-C 3.27Å; S798-D830 PolarHBondContact OG-O 3.43Å; S798-R832 PolarHBondContact OG-N 3.19Å; S798-R832 PolarHBondContact OG-O 3.01Å
799	V	92.5	Very high	86.6	Confident	45 Å²	45	51.1 Å²	51.1	27%	0.273	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	139.4	174.1	-179.7	0	0	0	0	110.1	Y825 P835	V799-Y825 HydrophobicContact CG1-CD1 3.91Å; V799-Y825 HydrophobicContact CG1-CG 4.47Å; V799-P835 HydrophobicContact CG1-CG 4.26Å
800	F	92.1	Very high	86.6	Confident	0 Å²	0	53.9 Å²	53.9	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	137.6	172.9	-170.9	-110.8	0	0	0	111.1	P592 D804 F805 Y825 C826 Y828 Y841	P592-F800 HydrophobicContact CB-CB 4.49Å; P592-F800 HydrophobicContact CB-CD1 3.71Å; P592-F800 HydrophobicContact CB-CD2 3.69Å; P592-F800 HydrophobicContact CB-CE1 3.72Å; P592-F800 HydrophobicContact CB-CE2 3.71Å; P592-F800 HydrophobicContact CB-CG 3.69Å; P592-F800 HydrophobicContact CB-CZ 3.71Å; P592-F800 HydrophobicContact CG-CG 4.4Å; P592-F800 WeakPolarHBondContact O-CE2 3.27Å; F800-D804 HydrophobicContact CE2-CB 4.03Å; F800-D804 HydrophobicContact CZ-CB 3.76Å; F800-F805 HydrophobicContact CD1-CE1 4.29Å; F800-F805 HydrophobicContact CD1-CE2 4.05Å; F800-F805 AromaticContact CD1-CZ 3.92Å; F800-F805 HydrophobicContact CD1-CZ 3.92Å; F800-F805 AromaticContact CE1-CD1 3.77Å; F800-F805 HydrophobicContact CE1-CD1 3.77Å; F800-F805 AromaticContact CE1-CD2 3.79Å; F800-F805 HydrophobicContact CE1-CD2 3.79Å; F800-F805 AromaticContact CE1-CE1 3.72Å; F800-F805 HydrophobicContact CE1-CE1 3.72Å; F800-F805 AromaticContact CE1-CE2 3.74Å; F800-F805 HydrophobicContact CE1-CE2 3.74Å; F800-F805 AromaticContact CE1-CG 3.79Å; F800-F805 HydrophobicContact CE1-CG 3.79Å; F800-F805 AromaticContact CE1-CZ 3.69Å; F800-F805 HydrophobicContact CE1-CZ 3.69Å; F800-F805 HydrophobicContact CZ-CD1 4.28Å; F800-F805 HydrophobicContact CZ-CE1 4.48Å; F800-F805 HydrophobicContact CZ-CG 4.42Å; F800-Y825 VanDerWaalsContact O-CA 3.31Å; F800-Y825 WeakPolarHBondContact O-CA 3.25Å; F800-C826 PolarHBondContact N-O 3.1Å; F800-C826 PolarHBondContact O-N 3.46Å; F800-Y828 HydrophobicContact CB-CD1 3.85Å; F800-Y828 HydrophobicContact CB-CE1 3.74Å; F800-Y828 HydrophobicContact CD2-CE1 4.46Å; F800-Y828 HydrophobicContact CG-CE1 4.5Å; F800-Y841 HydrophobicContact CD2-CD1 4.27Å; F800-Y841 AromaticContact CD2-CE1 3.54Å; F800-Y841 HydrophobicContact CD2-CE1 3.54Å; F800-Y841 AromaticContact CD2-CZ 3.73Å; F800-Y841 HydrophobicContact CE2-CE1 4.08Å; F800-Y841 HydrophobicContact CE2-CE2 4.43Å; F800-Y841 AromaticContact CE2-CZ 3.85Å
801	R	91.4	Very high	86.3	Confident	76 Å²	76	49.2 Å²	49.2	29%	0.287	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	124	175	-162.1	-170.6	-72.1	141.3	-4.5	109.2	S803 D804 Y825 P835 D836 Y841	R801-S803 WeakPolarHBondContact CD-OG 3.06Å; R801-S803 WeakPolarHBondContact CG-OG 3.34Å; R801-S803 PolarHBondContact O-N 3.41Å; R801-S803 VanDerWaalsContact O-N 3.12Å; R801-D804 WeakPolarHBondContact O-CB 3.49Å; R801-D804 PolarHBondContact O-N 3.36Å; R801-Y825 HydrophobicContact CB-CD1 4.27Å; R801-Y825 HydrophobicContact CB-CE1 4.18Å; R801-Y825 HydrophobicContact CG-CD1 4.23Å; R801-Y825 HydrophobicContact CG-CE1 3.85Å; R801-P835 HydrophobicContact CB-CB 4.02Å; R801-P835 HydrophobicContact CB-CG 4.26Å; R801-P835 PolarHBondContact NH2-O 2.87Å; R801-D836 IonicContact CZ-OD1 2.67Å; R801-D836 IonicContact NH2-OD1 3.84Å; R801-D836 PolarHBondContact NH2-OD1 3.3Å; R801-Y841 PolarHBondContact N-OH 3.43Å
802	V	87.8	Confident	85.7	Confident	20 Å²	20	55.5 Å²	55.5	12%	0.121	27%	0.268	C	S	.	.	G	3₁₀ helix	trans	-66.2	-19	-170.2	172.7	0	0	0	0	113.3	Y376 D804 F805 V823 K824 C826	Y376-V802 HydrophobicContact CE1-CG2 4.4Å; Y376-V802 VanDerWaalsContact OH-CG1 3.31Å; Y376-V802 WeakPolarHBondContact OH-CG1 3.43Å; V802-D804 PolarHBondContact O-N 2.87Å; V802-F805 HydrophobicContact CG1-CD2 4.11Å; V802-F805 HydrophobicContact CG1-CE2 4.22Å; V802-F805 HydrophobicContact CG2-CE2 4.36Å; V802-F805 WeakPolarHBondContact O-CD2 3.34Å; V802-V823 HydrophobicContact CG2-CG1 4.23Å; V802-V823 WeakPolarHBondContact CG2-O 3.44Å; V802-K824 PolarHBondContact N-O 2.98Å; V802-C826 HydrophobicContact CG2-CB 4.42Å
803	S	85.6	Confident	85	Confident	89 Å²	89	57.6 Å²	57.6	62%	0.622	28%	0.282	S	S	*	.	G	3₁₀ helix	trans	-60.5	-24.1	170.3	48.2	0	0	0	0	114.3	R801 F805	R801-S803 WeakPolarHBondContact CD-OG 3.06Å; R801-S803 WeakPolarHBondContact CG-OG 3.34Å; R801-S803 PolarHBondContact O-N 3.41Å; R801-S803 VanDerWaalsContact O-N 3.12Å; S803-F805 VanDerWaalsContact C-N 3.34Å; S803-F805 PolarHBondContact O-N 3.39Å
804	D	87.1	Confident	84.2	Confident	58 Å²	58	61.6 Å²	61.6	31%	0.31	30%	0.302	S	S	.	.	G	3₁₀ helix	trans	-95.5	9.8	-165	-55.8	6.1	0	0	0	112.1	G593 F800 R801 V802 Y841	G593-D804 WeakPolarHBondContact CA-O 3.27Å; F800-D804 HydrophobicContact CE2-CB 4.03Å; F800-D804 HydrophobicContact CZ-CB 3.76Å; R801-D804 WeakPolarHBondContact O-CB 3.49Å; R801-D804 PolarHBondContact O-N 3.36Å; V802-D804 PolarHBondContact O-N 2.87Å; D804-Y841 WeakPolarHBondContact OD2-CE2 3.5Å; D804-Y841 PolarHBondContact OD2-OH 3Å
805	F	86	Confident	83.4	Confident	18 Å²	18	57 Å²	57	8%	0.079	28%	0.279	C	S	.	.	S	Bend	trans	-69.7	141.8	175.5	-85.3	-61.2	0	0	0	112.6	P368 P592 F800 V802 S803 K807 Q810	P368-F805 HydrophobicContact CG-CZ 4.48Å; P592-F805 HydrophobicContact CB-CE1 3.96Å; P592-F805 HydrophobicContact CB-CZ 4.5Å; F800-F805 HydrophobicContact CD1-CE1 4.29Å; F800-F805 HydrophobicContact CD1-CE2 4.05Å; F800-F805 AromaticContact CD1-CZ 3.92Å; F800-F805 HydrophobicContact CD1-CZ 3.92Å; F800-F805 AromaticContact CE1-CD1 3.77Å; F800-F805 HydrophobicContact CE1-CD1 3.77Å; F800-F805 AromaticContact CE1-CD2 3.79Å; F800-F805 HydrophobicContact CE1-CD2 3.79Å; F800-F805 AromaticContact CE1-CE1 3.72Å; F800-F805 HydrophobicContact CE1-CE1 3.72Å; F800-F805 AromaticContact CE1-CE2 3.74Å; F800-F805 HydrophobicContact CE1-CE2 3.74Å; F800-F805 AromaticContact CE1-CG 3.79Å; F800-F805 HydrophobicContact CE1-CG 3.79Å; F800-F805 AromaticContact CE1-CZ 3.69Å; F800-F805 HydrophobicContact CE1-CZ 3.69Å; F800-F805 HydrophobicContact CZ-CD1 4.28Å; F800-F805 HydrophobicContact CZ-CE1 4.48Å; F800-F805 HydrophobicContact CZ-CG 4.42Å; V802-F805 HydrophobicContact CG1-CD2 4.11Å; V802-F805 HydrophobicContact CG1-CE2 4.22Å; V802-F805 HydrophobicContact CG2-CE2 4.36Å; V802-F805 WeakPolarHBondContact O-CD2 3.34Å; S803-F805 VanDerWaalsContact C-N 3.34Å; S803-F805 PolarHBondContact O-N 3.39Å; F805-K807 PolarHBondContact O-N 3.04Å; F805-Q810 HydrophobicContact CB-CB 4.29Å
806	E	83.8	Confident	82.4	Confident	66 Å²	66	58.2 Å²	58.2	31%	0.308	29%	0.285	S	S	.	.			trans	-61.2	133.3	162.5	-170.5	-165.6	170.1	0	0	109.2	R597 R808 S809 Q810	R597-E806 IonicContact CZ-OE2 3.35Å; R597-E806 IonicContact NE-OE2 3.97Å; R597-E806 PolarHBondContact NE-OE2 3.4Å; R597-E806 IonicContact NH2-OE2 3.48Å; R597-E806 PolarHBondContact NH2-OE2 2.95Å; E806-R808 HydrophobicContact CG-CB 4.44Å; E806-R808 PolarHBondContact O-N 3.25Å; E806-R808 WeakPolarHBondContact OE1-CD 3.48Å; E806-R808 IonicContact OE1-NH1 2.71Å; E806-S809 PolarHBondContact O-N 3.49Å; E806-Q810 PolarHBondContact O-N 3.46Å
807	K	79.3	Confident	81.2	Confident	193 Å²	193	65.9 Å²	65.9	84%	0.839	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.6	-17.4	179.2	-66.6	-176.2	177	-178.3	0	115.5	F805	F805-K807 PolarHBondContact O-N 3.04Å
808	R	76.2	Confident	80.2	Confident	158 Å²	158	69 Å²	69	60%	0.596	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.9	-29	176.5	-65.2	-175.5	177.4	161.8	-4.8	113.8	E806	E806-R808 HydrophobicContact CG-CB 4.44Å; E806-R808 PolarHBondContact O-N 3.25Å; E806-R808 WeakPolarHBondContact OE1-CD 3.48Å; E806-R808 IonicContact OE1-NH1 2.71Å
809	S	78	Confident	79.2	Confident	2 Å²	2	70.4 Å²	70.4	1%	0.014	34%	0.342	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.4	-4	-175.8	-68.4	0	0	0	0	114.1	D371 R597 E806	D371-S809 WeakPolarHBondContact OD1-CA 3.17Å; D371-S809 VanDerWaalsContact OD1-CB 3.22Å; D371-S809 WeakPolarHBondContact OD1-CB 3.47Å; D371-S809 PolarHBondContact OD1-OG 2.96Å; R597-S809 PolarHBondContact NH2-OG 3.38Å; E806-S809 PolarHBondContact O-N 3.49Å
810	Q	81.2	Confident	78.1	Confident	87 Å²	87	77.3 Å²	77.3	41%	0.407	37%	0.372	S	S	.	.	S	Bend	trans	-62.4	130	170.2	-170.5	176.9	3.6	0	0	109.9	F805 E806	F805-Q810 HydrophobicContact CB-CB 4.29Å; E806-Q810 PolarHBondContact O-N 3.46Å
811	P	79.8	Confident	77.4	Confident	5 Å²	5	83.3 Å²	83.3	3%	0.032	40%	0.399	C	S	.	.			trans	-68.3	151.5	176.3	29.4	-35.4	0	0	0	111	P368 C374 Y376 T813	P368-P811 HydrophobicContact CG-CB 4.41Å; P368-P811 HydrophobicContact CG-CG 4.18Å; C374-P811 WeakPolarHBondContact O-CB 3.04Å; Y376-P811 HydrophobicContact CE2-CG 3.7Å; Y376-P811 WeakPolarHBondContact OH-CG 3.47Å; P811-T813 VanDerWaalsContact C-N 3.31Å; P811-T813 PolarHBondContact O-N 3.39Å
812	R	74.2	Confident	76.9	Confident	158 Å²	158	82.2 Å²	82.2	60%	0.596	41%	0.407	S	S	*	.	S	Bend	trans	-72	-21.9	178.9	-75.3	176.8	-179.8	-153.4	2.4	114.3	Q372 Y373	Q372-R812 HydrophobicContact CB-CG 4.17Å; Q372-R812 WeakPolarHBondContact O-CB 3.23Å; Q372-R812 WeakPolarHBondContact O-CG 3.36Å; Q372-R812 PolarHBondContact O-N 3.39Å; Y373-R812 PolarHBondContact OH-NH2 2.96Å; Y373-R812 VanDerWaalsContact OH-NH2 3.13Å
813	T	73.8	Confident	76.7	Confident	49 Å²	49	82 Å²	82	30%	0.301	41%	0.405	S	S	.	.	S	Bend	trans	-104.6	134.5	176.6	53.1	0	0	0	0	110.2	P811 G815	P811-T813 VanDerWaalsContact C-N 3.31Å; P811-T813 PolarHBondContact O-N 3.39Å; T813-G815 PolarHBondContact O-N 3.42Å; T813-G815 VanDerWaalsContact O-N 3.13Å
814	N	71.9	Confident	76.7	Confident	95 Å²	95	84 Å²	84	51%	0.508	40%	0.403	S	S	.	.			trans	-77.3	9.5	179.4	-67.3	-22	0	0	0	113.3	S816 A822 V823	N814-S816 PolarHBondContact O-N 2.03Å; N814-A822 HydrophobicContact CB-CB 4.22Å; N814-A822 WeakPolarHBondContact O-CA 3.37Å; N814-V823 PolarHBondContact O-N 3.4Å
815	G	70.6	Confident	76.9	Confident	6 Å²	6	86.8 Å²	86.8	6%	0.062	41%	0.41	C	S	.	.	S	Bend	trans	79.5	-12.3	-173.7	0	0	0	0	0	115.5	T813 E817 L818 F819	T813-G815 PolarHBondContact O-N 3.42Å; T813-G815 VanDerWaalsContact O-N 3.13Å; G815-E817 PolarHBondContact O-N 2.88Å; G815-E817 VanDerWaalsContact O-N 3.09Å; G815-L818 PolarHBondContact O-N 2.86Å; G815-F819 WeakPolarHBondContact O-CD2 3.34Å; G815-F819 PolarHBondContact O-N 3.3Å
816	S	66.9	Low	77	Confident	60 Å²	60	86 Å²	86	42%	0.42	41%	0.406	S	S	.	.	H	α-helix	trans	-56.8	-28	-175.1	51.6	0	0	0	0	115.4	N814 L818 E820 E821	N814-S816 PolarHBondContact O-N 2.03Å; S816-L818 VanDerWaalsContact C-N 3.26Å; S816-L818 PolarHBondContact O-N 2.9Å; S816-E820 WeakPolarHBondContact O-CA 3.31Å; S816-E820 PolarHBondContact O-N 3.3Å; S816-E820 VanDerWaalsContact O-N 3.15Å; S816-E821 WeakPolarHBondContact CA-O 3.35Å
817	E	65	Low	77.4	Confident	171 Å²	171	85.9 Å²	85.9	80%	0.799	40%	0.403	S	S	*	.	H	α-helix	trans	-69.3	-20.2	174.7	-63.6	177.8	161.2	0	0	113.7	G815	G815-E817 PolarHBondContact O-N 2.88Å; G815-E817 VanDerWaalsContact O-N 3.09Å
818	L	68.8	Low	77.9	Confident	86 Å²	86	77.7 Å²	77.7	45%	0.45	37%	0.367	S	S	.	.	H	α-helix	trans	-121	-13	-174.2	-170.4	62.6	0	0	0	113.1	R378 G815 S816	R378-L818 PolarHBondContact NH2-O 3.29Å; G815-L818 PolarHBondContact O-N 2.86Å; S816-L818 VanDerWaalsContact C-N 3.26Å; S816-L818 PolarHBondContact O-N 2.9Å
819	F	72	Confident	78.4	Confident	37 Å²	37	75.2 Å²	75.2	16%	0.162	36%	0.358	C	S	.	.	H	α-helix	trans	-133.2	4.1	-173.5	-67.9	-78.1	0	0	0	114.3	I365 R378 G815 E821 V823	I365-F819 HydrophobicContact CB-CZ 4.46Å; I365-F819 HydrophobicContact CD1-CD1 3.54Å; I365-F819 HydrophobicContact CD1-CD2 4.4Å; I365-F819 HydrophobicContact CD1-CE1 3.66Å; I365-F819 HydrophobicContact CD1-CG 3.92Å; I365-F819 HydrophobicContact CD1-CZ 4.16Å; I365-F819 HydrophobicContact CG1-CD1 4.01Å; I365-F819 HydrophobicContact CG1-CE1 3.59Å; I365-F819 HydrophobicContact CG1-CZ 4Å; I365-F819 HydrophobicContact CG2-CE1 4.38Å; I365-F819 HydrophobicContact CG2-CE2 4.14Å; I365-F819 HydrophobicContact CG2-CZ 3.9Å; R378-F819 HydrophobicContact CG-CE1 3.57Å; R378-F819 HydrophobicContact CG-CZ 3.5Å; R378-F819 VanDerWaalsContact CG-CZ 3.5Å; G815-F819 WeakPolarHBondContact O-CD2 3.34Å; G815-F819 PolarHBondContact O-N 3.3Å; F819-E821 PolarHBondContact O-N 2.9Å; F819-V823 HydrophobicContact CD2-CG2 4.14Å; F819-V823 HydrophobicContact CG-CG2 4.43Å
820	E	69.6	Low	78.8	Confident	190 Å²	190	76.2 Å²	76.2	89%	0.888	36%	0.363	S	S	*	.	S	Bend	trans	64.9	-47.4	-178.5	-58.2	174	-168.5	0	0	114.1	S816	S816-E820 WeakPolarHBondContact O-CA 3.31Å; S816-E820 PolarHBondContact O-N 3.3Å; S816-E820 VanDerWaalsContact O-N 3.15Å
821	E	76.8	Confident	79.3	Confident	125 Å²	125	73.6 Å²	73.6	58%	0.584	35%	0.35	S	S	*	.	S	Bend	trans	-90.6	164	167.8	-76	-157.1	-171.7	0	0	113.7	S816 F819 K824	S816-E821 WeakPolarHBondContact CA-O 3.35Å; F819-E821 PolarHBondContact O-N 2.9Å; E821-K824 IonicContact OE2-NZ 2.94Å; E821-K824 PolarHBondContact OE2-NZ 3.43Å
822	A	79.9	Confident	79.8	Confident	54 Å²	54	74.7 Å²	74.7	45%	0.446	35%	0.353	S	S	.	.			trans	-75.3	130.1	168.1	0	0	0	0	0	111.5	N814 K824	N814-A822 HydrophobicContact CB-CB 4.22Å; N814-A822 WeakPolarHBondContact O-CA 3.37Å; A822-K824 PolarHBondContact O-N 3.01Å
823	V	83.9	Confident	80.7	Confident	15 Å²	15	70.4 Å²	70.4	9%	0.091	34%	0.34	C	S	.	.			trans	-69.8	111.7	-174.6	-179.6	0	0	0	0	111.1	I365 Y376 V802 N814 F819 Y825	I365-V823 HydrophobicContact CD1-CG1 4.19Å; I365-V823 HydrophobicContact CD1-CG2 3.93Å; I365-V823 HydrophobicContact CG2-CG1 4.08Å; I365-V823 HydrophobicContact CG2-CG2 4.41Å; Y376-V823 HydrophobicContact CD1-CG1 4.13Å; Y376-V823 HydrophobicContact CD2-CB 4.38Å; Y376-V823 HydrophobicContact CD2-CG2 4.08Å; Y376-V823 HydrophobicContact CE1-CB 4.41Å; Y376-V823 HydrophobicContact CE1-CG1 4.01Å; Y376-V823 HydrophobicContact CE2-CB 4.19Å; Y376-V823 HydrophobicContact CE2-CG2 4.35Å; Y376-V823 HydrophobicContact CG-CG2 4.27Å; V802-V823 HydrophobicContact CG2-CG1 4.23Å; V802-V823 WeakPolarHBondContact CG2-O 3.44Å; N814-V823 PolarHBondContact O-N 3.4Å; F819-V823 HydrophobicContact CD2-CG2 4.14Å; F819-V823 HydrophobicContact CG-CG2 4.43Å; V823-Y825 VanDerWaalsContact CG1-O 3.23Å; V823-Y825 WeakPolarHBondContact CG1-O 3.35Å
824	K	86.6	Confident	81.5	Confident	130 Å²	130	70.7 Å²	70.7	57%	0.565	34%	0.342	S	S	*	.			trans	-85.3	-35.8	-179.5	-65.5	157.1	-171.4	151.8	0	112.8	V802 E821 A822	V802-K824 PolarHBondContact N-O 2.98Å; E821-K824 IonicContact OE2-NZ 2.94Å; E821-K824 PolarHBondContact OE2-NZ 3.43Å; A822-K824 PolarHBondContact O-N 3.01Å
825	Y	89.6	Confident	82.4	Confident	117 Å²	117	66.5 Å²	66.5	46%	0.459	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	141.6	178.8	-61.5	-83.8	0	0	0	110	V799 F800 R801 V823 P835	V799-Y825 HydrophobicContact CG1-CD1 3.91Å; V799-Y825 HydrophobicContact CG1-CG 4.47Å; F800-Y825 VanDerWaalsContact O-CA 3.31Å; F800-Y825 WeakPolarHBondContact O-CA 3.25Å; R801-Y825 HydrophobicContact CB-CD1 4.27Å; R801-Y825 HydrophobicContact CB-CE1 4.18Å; R801-Y825 HydrophobicContact CG-CD1 4.23Å; R801-Y825 HydrophobicContact CG-CE1 3.85Å; V823-Y825 VanDerWaalsContact CG1-O 3.23Å; V823-Y825 WeakPolarHBondContact CG1-O 3.35Å; Y825-P835 HydrophobicContact CE1-CG 4.26Å
826	C	90.1	Very high	83.3	Confident	1 Å²	1	71.4 Å²	71.4	1%	0.007	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	159.6	168.8	68.4	0	0	0	0	109.9	C367 Y376 F800 V802	C367-C826 VanDerWaalsContact CA-SG 3.5Å; C367-C826 HydrophobicContact CB-CB 3.96Å; C367-C826 WeakPolarHBondContact CB-SG 3.4Å; C367-C826 WeakPolarHBondContact SG-CB 3.43Å; C367-C826 CovalentContact SG-SG 2.04Å; C367-C826 PolarHBondContact SG-SG 3Å; Y376-C826 HydrophobicContact CD1-CB 4.17Å; Y376-C826 HydrophobicContact CE1-CB 4.05Å; F800-C826 PolarHBondContact N-O 3.1Å; F800-C826 PolarHBondContact O-N 3.46Å; V802-C826 HydrophobicContact CG2-CB 4.42Å
827	R	90.9	Very high	84.3	Confident	64 Å²	64	69.8 Å²	69.8	24%	0.242	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	150.4	179.9	-65.7	-178.2	-178.6	-158.6	-2	111.6	I365 M366 C367 N794 L797 S798	I365-R827 PolarHBondContact O-N 3.33Å; M366-R827 WeakPolarHBondContact CA-O 3.47Å; M366-R827 HydrophobicContact CE-CB 3.68Å; M366-R827 HydrophobicContact SD-CB 4.44Å; C367-R827 PolarHBondContact N-O 3.38Å; C367-R827 PolarHBondContact SG-O 3.45Å; C367-R827 VanDerWaalsContact SG-O 3.41Å; N794-R827 PolarHBondContact OD1-NH1 3.02Å; N794-R827 PolarHBondContact OD1-NH2 2.87Å; L797-R827 HydrophobicContact CB-CB 4.38Å; S798-R827 VanDerWaalsContact O-CA 3.29Å; S798-R827 WeakPolarHBondContact O-CA 3.49Å
828	Y	89.4	Confident	85.5	Confident	22 Å²	22	68 Å²	68	9%	0.086	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145	156.2	178.2	67.4	-72.5	0	0	0	110.8	R591 P592 S798 F800 D830 R832	R591-Y828 HydrophobicContact CB-CE2 4.35Å; P592-Y828 HydrophobicContact CG-CD1 4Å; P592-Y828 HydrophobicContact CG-CD2 3.99Å; P592-Y828 HydrophobicContact CG-CE1 4.39Å; P592-Y828 HydrophobicContact CG-CE2 4.35Å; P592-Y828 HydrophobicContact CG-CG 3.78Å; S798-Y828 VanDerWaalsContact CB-CE1 3.48Å; S798-Y828 PolarHBondContact N-O 3.4Å; S798-Y828 WeakPolarHBondContact O-CD1 3.49Å; S798-Y828 PolarHBondContact O-N 3Å; F800-Y828 HydrophobicContact CB-CD1 3.85Å; F800-Y828 HydrophobicContact CB-CE1 3.74Å; F800-Y828 HydrophobicContact CD2-CE1 4.46Å; F800-Y828 HydrophobicContact CG-CE1 4.5Å; Y828-D830 HydrophobicContact CD2-CB 4.07Å; Y828-D830 HydrophobicContact CE2-CB 3.88Å; Y828-D830 PolarHBondContact O-N 3.07Å; Y828-R832 WeakPolarHBondContact OH-CD 3.41Å
829	R	86.9	Confident	86.4	Confident	105 Å²	105	70.1 Å²	70.1	40%	0.396	35%	0.345	S	S	.	.	S	Bend	trans	-92.6	78.6	-168.7	-169.4	-177.2	143.4	103.4	10.7	112	D764 L797	D764-R829 VanDerWaalsContact CG-NH2 3.34Å; D764-R829 IonicContact OD1-CZ 2.87Å; D764-R829 IonicContact OD1-NH1 3.19Å; D764-R829 IonicContact OD1-NH2 2.72Å; D764-R829 PolarHBondContact OD1-NH2 2.97Å; D764-R829 IonicContact OD2-CZ 3.55Å; D764-R829 IonicContact OD2-NH1 3.99Å; D764-R829 PolarHBondContact OD2-NH1 3.41Å; D764-R829 IonicContact OD2-NH2 3.93Å; D764-R829 PolarHBondContact OD2-NH2 3.39Å; L797-R829 HydrophobicContact CD2-CB 4.41Å
830	D	87.8	Confident	87.2	Confident	23 Å²	23	71.3 Å²	71.3	12%	0.123	36%	0.356	C	S	.	.	S	Bend	trans	-145.3	172.8	168.9	-159	-3.8	0	0	0	109.2	S798 Y828 R832	S798-D830 VanDerWaalsContact OG-C 3.27Å; S798-D830 PolarHBondContact OG-O 3.43Å; Y828-D830 HydrophobicContact CD2-CB 4.07Å; Y828-D830 HydrophobicContact CE2-CB 3.88Å; Y828-D830 PolarHBondContact O-N 3.07Å; D830-R832 HydrophobicContact CB-CG 4.46Å; D830-R832 IonicContact OD2-CZ 2.84Å; D830-R832 IonicContact OD2-NE 2.72Å; D830-R832 PolarHBondContact OD2-NE 2.04Å; D830-R832 IonicContact OD2-NH2 2.76Å; D830-R832 PolarHBondContact OD2-NH2 2.97Å
831	Y	90.3	Very high	88.1	Confident	33 Å²	33	62.8 Å²	62.8	13%	0.129	32%	0.316	C	S	.	.			trans	-107.6	75.2	179.3	-66.5	-82.1	0	0	0	110.8	T844 Q846	Y831-T844 PolarHBondContact O-N 3.43Å; Y831-T844 PolarHBondContact O-OG1 3.33Å; Y831-Q846 HydrophobicContact CD1-CB 3.9Å
832	R	91.5	Very high	88.8	Confident	28 Å²	28	59.3 Å²	59.3	11%	0.106	30%	0.304	C	S	.	.	B	Isolated β-bridge	trans	-123.7	155.1	-176.5	-67.7	173.3	-172.5	-75.6	-13.1	113.8	S798 Y828 D830 Y841 T842 Y843	S798-R832 PolarHBondContact OG-N 3.19Å; S798-R832 PolarHBondContact OG-O 3.01Å; Y828-R832 WeakPolarHBondContact OH-CD 3.41Å; D830-R832 HydrophobicContact CB-CG 4.46Å; D830-R832 IonicContact OD2-CZ 2.84Å; D830-R832 IonicContact OD2-NE 2.72Å; D830-R832 PolarHBondContact OD2-NE 2.04Å; D830-R832 IonicContact OD2-NH2 2.76Å; D830-R832 PolarHBondContact OD2-NH2 2.97Å; R832-Y841 WeakPolarHBondContact CD-O 3.31Å; R832-Y841 PolarHBondContact NH1-O 3.24Å; R832-T842 CarbonylContact C-O 3.02Å; R832-T842 WeakPolarHBondContact CA-O 3.47Å; R832-T842 VanDerWaalsContact CB-O 3.31Å; R832-T842 WeakPolarHBondContact CB-O 3.43Å; R832-Y843 HydrophobicContact CG-CD1 4.22Å; R832-Y843 PolarHBondContact NH2-OH 3.28Å
833	E	91.7	Very high	89.3	Confident	68 Å²	68	61.6 Å²	61.6	32%	0.318	30%	0.301	S	S	.	.			trans	-67.7	145.2	176	-63.8	-59.7	155.3	0	0	111.5	Y841 T842 T844	E833-Y841 WeakPolarHBondContact O-CA 3.07Å; E833-Y841 PolarHBondContact O-N 3.42Å; E833-Y841 VanDerWaalsContact O-N 3.12Å; E833-T842 PolarHBondContact N-O 3.15Å; E833-T844 HydrophobicContact CG-CG2 4.11Å; E833-T844 WeakPolarHBondContact OE1-CA 3.06Å; E833-T844 WeakPolarHBondContact OE1-CB 3.43Å; E833-T844 VanDerWaalsContact OE1-CG2 3.25Å; E833-T844 WeakPolarHBondContact OE1-CG2 3.27Å
834	P	91.8	Very high	89.7	Confident	54 Å²	54	61.6 Å²	61.6	35%	0.351	30%	0.301	S	S	.	.			trans	-68.1	163.8	-175.6	28.1	-35	0	0	0	113.2	D836 S837	P834-D836 PolarHBondContact O-N 3.38Å; P834-D836 VanDerWaalsContact O-N 3.08Å; P834-S837 WeakPolarHBondContact O-CB 3.04Å; P834-S837 PolarHBondContact O-N 3.14Å; P834-S837 VanDerWaalsContact O-N 3.14Å; P834-S837 PolarHBondContact O-OG 2.97Å
835	P	90.8	Very high	89.9	Confident	8 Å²	8	61.5 Å²	61.5	5%	0.052	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66	-10.6	-177.5	27.9	-37.3	0	0	0	115.2	V799 R801 Y825 Y841	V799-P835 HydrophobicContact CG1-CG 4.26Å; R801-P835 HydrophobicContact CB-CB 4.02Å; R801-P835 HydrophobicContact CB-CG 4.26Å; R801-P835 PolarHBondContact NH2-O 2.87Å; Y825-P835 HydrophobicContact CE1-CG 4.26Å; P835-Y841 HydrophobicContact CB-CE1 4.06Å
836	D	88.3	Confident	89.9	Confident	109 Å²	109	58.2 Å²	58.2	58%	0.583	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.1	7.4	-179	-43.5	-67.1	0	0	0	112.1	R801 P834	R801-D836 IonicContact CZ-OD1 2.67Å; R801-D836 IonicContact NH2-OD1 3.84Å; R801-D836 PolarHBondContact NH2-OD1 3.3Å; P834-D836 PolarHBondContact O-N 3.38Å; P834-D836 VanDerWaalsContact O-N 3.08Å
837	S	89.6	Confident	90	Very high	25 Å²	25	59.2 Å²	59.2	18%	0.175	30%	0.3	C	S	.	.	S	Bend	trans	-79.7	163.3	174.3	91.6	0	0	0	0	111.6	P834 E839	P834-S837 WeakPolarHBondContact O-CB 3.04Å; P834-S837 PolarHBondContact O-N 3.14Å; P834-S837 VanDerWaalsContact O-N 3.14Å; P834-S837 PolarHBondContact O-OG 2.97Å; S837-E839 PolarHBondContact O-N 3Å; S837-E839 PolarHBondContact OG-N 2.98Å; S837-E839 PolarHBondContact OG-O 3.47Å; S837-E839 VanDerWaalsContact OG-O 3.06Å
838	P	88.7	Confident	90.2	Very high	135 Å²	135	63 Å²	63	88%	0.877	31%	0.314	S	S	*	.	S	Bend	trans	-67.8	-21.2	175.5	28.2	-35.7	0	0	0	113.7
839	E	88.8	Confident	90.4	Very high	129 Å²	129	65 Å²	65	60%	0.603	32%	0.324	S	S	*	.	S	Bend	trans	-126.2	78.3	173.5	-70.4	-165.3	174.1	0	0	109.7	S837 Y841 T842	S837-E839 PolarHBondContact O-N 3Å; S837-E839 PolarHBondContact OG-N 2.98Å; S837-E839 PolarHBondContact OG-O 3.47Å; S837-E839 VanDerWaalsContact OG-O 3.06Å; E839-Y841 PolarHBondContact O-N 3.1Å; E839-T842 HydrophobicContact CB-CG2 3.83Å; E839-T842 PolarHBondContact O-N 3.29Å; E839-T842 PolarHBondContact O-OG1 3.46Å; E839-T842 VanDerWaalsContact O-OG1 3.09Å
840	P	87.6	Confident	90.7	Very high	62 Å²	62	60.3 Å²	60.3	40%	0.403	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.1	133.8	-171.1	25.3	-34.2	0	0	0	111.6	T842	P840-T842 VanDerWaalsContact C-N 3.3Å; P840-T842 PolarHBondContact O-N 2.94Å
841	Y	89	Confident	90.9	Very high	12 Å²	12	61.7 Å²	61.7	5%	0.047	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	68.1	11.7	176.7	-41.1	-66.4	0	0	0	117.2	F800 R801 D804 R832 E833 P835 E839	F800-Y841 HydrophobicContact CD2-CD1 4.27Å; F800-Y841 AromaticContact CD2-CE1 3.54Å; F800-Y841 HydrophobicContact CD2-CE1 3.54Å; F800-Y841 AromaticContact CD2-CZ 3.73Å; F800-Y841 HydrophobicContact CE2-CE1 4.08Å; F800-Y841 HydrophobicContact CE2-CE2 4.43Å; F800-Y841 AromaticContact CE2-CZ 3.85Å; R801-Y841 PolarHBondContact N-OH 3.43Å; D804-Y841 WeakPolarHBondContact OD2-CE2 3.5Å; D804-Y841 PolarHBondContact OD2-OH 3Å; R832-Y841 WeakPolarHBondContact CD-O 3.31Å; R832-Y841 PolarHBondContact NH1-O 3.24Å; E833-Y841 WeakPolarHBondContact O-CA 3.07Å; E833-Y841 PolarHBondContact O-N 3.42Å; E833-Y841 VanDerWaalsContact O-N 3.12Å; P835-Y841 HydrophobicContact CB-CE1 4.06Å; E839-Y841 PolarHBondContact O-N 3.1Å
842	T	90.9	Very high	91.1	Very high	52 Å²	52	63 Å²	63	32%	0.319	33%	0.332	S	S	.	.	P	Polyproline II helix	trans	-71.3	165.7	167.8	61.9	0	0	0	0	111.3	R832 E833 E839 P840	R832-T842 CarbonylContact C-O 3.02Å; R832-T842 WeakPolarHBondContact CA-O 3.47Å; R832-T842 VanDerWaalsContact CB-O 3.31Å; R832-T842 WeakPolarHBondContact CB-O 3.43Å; E833-T842 PolarHBondContact N-O 3.15Å; E839-T842 HydrophobicContact CB-CG2 3.83Å; E839-T842 PolarHBondContact O-N 3.29Å; E839-T842 PolarHBondContact O-OG1 3.46Å; E839-T842 VanDerWaalsContact O-OG1 3.09Å; P840-T842 VanDerWaalsContact C-N 3.3Å; P840-T842 PolarHBondContact O-N 2.94Å
843	Y	91.3	Very high	91.3	Very high	102 Å²	102	63.1 Å²	63.1	40%	0.4	34%	0.338	S	S	.	.	B	Isolated β-bridge	trans	-76.6	126.1	-179.3	-71.2	-64.2	0	0	0	111.3	R832 F847	R832-Y843 HydrophobicContact CG-CD1 4.22Å; R832-Y843 PolarHBondContact NH2-OH 3.28Å; Y843-F847 HydrophobicContact CD1-CB 4.24Å; Y843-F847 HydrophobicContact CD1-CD1 4.07Å; Y843-F847 AromaticContact CD1-CD2 3.51Å; Y843-F847 HydrophobicContact CD1-CD2 3.51Å; Y843-F847 HydrophobicContact CD1-CE1 4.3Å; Y843-F847 AromaticContact CD1-CE2 3.76Å; Y843-F847 HydrophobicContact CD1-CE2 3.76Å; Y843-F847 AromaticContact CD1-CG 3.67Å; Y843-F847 HydrophobicContact CD1-CG 3.67Å; Y843-F847 HydrophobicContact CD1-CZ 4.15Å; Y843-F847 AromaticContact CE1-CD2 3.72Å; Y843-F847 HydrophobicContact CE1-CD2 3.72Å; Y843-F847 HydrophobicContact CE1-CE1 4.4Å; Y843-F847 AromaticContact CE1-CE2 3.48Å; Y843-F847 HydrophobicContact CE1-CE2 3.48Å; Y843-F847 VanDerWaalsContact CE1-CE2 3.48Å; Y843-F847 HydrophobicContact CE1-CG 4.28Å; Y843-F847 AromaticContact CE1-CZ 3.85Å; Y843-F847 HydrophobicContact CE1-CZ 3.85Å; Y843-F847 HydrophobicContact CG-CD1 4.09Å; Y843-F847 HydrophobicContact CG-CD2 4.33Å; Y843-F847 HydrophobicContact CG-CE1 4.37Å; Y843-F847 HydrophobicContact CG-CG 4.07Å
844	T	91.6	Very high	91.5	Very high	15 Å²	15	61.1 Å²	61.1	9%	0.092	33%	0.328	C	S	.	.	P	Polyproline II helix	trans	-66.7	164.8	176.2	72.9	0	0	0	0	111.6	Y831 E833 Q846 F847	Y831-T844 PolarHBondContact O-N 3.43Å; Y831-T844 PolarHBondContact O-OG1 3.33Å; E833-T844 HydrophobicContact CG-CG2 4.11Å; E833-T844 WeakPolarHBondContact OE1-CA 3.06Å; E833-T844 WeakPolarHBondContact OE1-CB 3.43Å; E833-T844 VanDerWaalsContact OE1-CG2 3.25Å; E833-T844 WeakPolarHBondContact OE1-CG2 3.27Å; T844-Q846 PolarHBondContact O-N 2.74Å; T844-Q846 VanDerWaalsContact O-N 3.14Å; T844-Q846 VanDerWaalsContact OG1-CB 3.3Å; T844-Q846 WeakPolarHBondContact OG1-CB 3.41Å; T844-Q846 PolarHBondContact OG1-N 3.4Å; T844-F847 WeakPolarHBondContact O-CB 3.46Å; T844-F847 PolarHBondContact O-N 2.79Å; T844-F847 VanDerWaalsContact O-N 3.16Å; T844-F847 PolarHBondContact OG1-N 2.87Å
845	L	91.1	Very high	91.6	Very high	127 Å²	127	63.1 Å²	63.1	67%	0.665	34%	0.335	S	S	*	.	H	α-helix	trans	-58.5	-22.3	167	-69.2	174	0	0	0	113.1	W848 H849	L845-W848 PolarHBondContact O-N 3.01Å; L845-H849 PolarHBondContact O-N 3.31Å; L845-H849 PolarHBondContact O-ND1 2.9Å
846	Q	90.8	Very high	91.8	Very high	48 Å²	48	65.3 Å²	65.3	22%	0.224	35%	0.354	C	S	.	.	H	α-helix	trans	-65.7	-40.1	176.5	-51.3	-167.6	-5.6	0	0	111.5	Y775 Y831 T844 W848 H849 V850	Y775-Q846 HydrophobicContact CD1-CG 4.5Å; Y775-Q846 HydrophobicContact CE1-CG 3.96Å; Y775-Q846 HydrophobicContact CE2-CB 4.4Å; Y775-Q846 HydrophobicContact CE2-CG 4.06Å; Y831-Q846 HydrophobicContact CD1-CB 3.9Å; T844-Q846 PolarHBondContact O-N 2.74Å; T844-Q846 VanDerWaalsContact O-N 3.14Å; T844-Q846 VanDerWaalsContact OG1-CB 3.3Å; T844-Q846 WeakPolarHBondContact OG1-CB 3.41Å; T844-Q846 PolarHBondContact OG1-N 3.4Å; Q846-W848 VanDerWaalsContact C-N 3.3Å; Q846-W848 PolarHBondContact O-N 2.94Å; Q846-H849 PolarHBondContact O-N 2.89Å; Q846-V850 WeakPolarHBondContact O-CG2 3.35Å; Q846-V850 PolarHBondContact O-N 3.2Å
847	F	92.1	Very high	92.1	Very high	23 Å²	23	62 Å²	62	10%	0.101	33%	0.334	C	S	.	.	H	α-helix	trans	-53.4	-48.8	176.7	-178.9	-92.8	0	0	0	111.3	Y843 T844 V850 L851	Y843-F847 HydrophobicContact CD1-CB 4.24Å; Y843-F847 HydrophobicContact CD1-CD1 4.07Å; Y843-F847 AromaticContact CD1-CD2 3.51Å; Y843-F847 HydrophobicContact CD1-CD2 3.51Å; Y843-F847 HydrophobicContact CD1-CE1 4.3Å; Y843-F847 AromaticContact CD1-CE2 3.76Å; Y843-F847 HydrophobicContact CD1-CE2 3.76Å; Y843-F847 AromaticContact CD1-CG 3.67Å; Y843-F847 HydrophobicContact CD1-CG 3.67Å; Y843-F847 HydrophobicContact CD1-CZ 4.15Å; Y843-F847 AromaticContact CE1-CD2 3.72Å; Y843-F847 HydrophobicContact CE1-CD2 3.72Å; Y843-F847 HydrophobicContact CE1-CE1 4.4Å; Y843-F847 AromaticContact CE1-CE2 3.48Å; Y843-F847 HydrophobicContact CE1-CE2 3.48Å; Y843-F847 VanDerWaalsContact CE1-CE2 3.48Å; Y843-F847 HydrophobicContact CE1-CG 4.28Å; Y843-F847 AromaticContact CE1-CZ 3.85Å; Y843-F847 HydrophobicContact CE1-CZ 3.85Å; Y843-F847 HydrophobicContact CG-CD1 4.09Å; Y843-F847 HydrophobicContact CG-CD2 4.33Å; Y843-F847 HydrophobicContact CG-CE1 4.37Å; Y843-F847 HydrophobicContact CG-CG 4.07Å; T844-F847 WeakPolarHBondContact O-CB 3.46Å; T844-F847 PolarHBondContact O-N 2.79Å; T844-F847 VanDerWaalsContact O-N 3.16Å; T844-F847 PolarHBondContact OG1-N 2.87Å; F847-V850 PolarHBondContact O-N 2.84Å; F847-L851 HydrophobicContact CE1-CD2 4.05Å; F847-L851 WeakPolarHBondContact O-CB 3.14Å; F847-L851 PolarHBondContact O-N 3.49Å
848	W	94.1	Very high	92.4	Very high	143 Å²	143	61.4 Å²	61.4	54%	0.542	33%	0.329	S	S	.	.	H	α-helix	trans	-69.8	-38.5	-177	-65	105.6	0	0	0	112.8	L845 Q846 L851 A852	L845-W848 PolarHBondContact O-N 3.01Å; Q846-W848 VanDerWaalsContact C-N 3.3Å; Q846-W848 PolarHBondContact O-N 2.94Å; W848-L851 HydrophobicContact CE3-CD2 4.07Å; W848-L851 HydrophobicContact CZ3-CD2 3.98Å; W848-L851 PolarHBondContact O-N 3.35Å; W848-A852 VanDerWaalsContact O-CB 3.32Å; W848-A852 WeakPolarHBondContact O-CB 3.39Å; W848-A852 PolarHBondContact O-N 3.09Å
849	H	93.6	Very high	92.7	Very high	64 Å²	64	59.6 Å²	59.6	30%	0.296	31%	0.311	S	S	.	.	H	α-helix	trans	-63.8	-42.8	172.6	-68	114.1	0	0	0	112.2	V770 K774 Y775 L845 Q846 A853	V770-H849 HydrophobicContact CG1-CB 4.2Å; K774-H849 PolarHBondContact NZ-CD2 3Å; K774-H849 PolarHBondContact NZ-CE1 3.37Å; K774-H849 VanDerWaalsContact NZ-CE1 3.28Å; K774-H849 PolarHBondContact NZ-NE2 2.62Å; Y775-H849 PolarHBondContact OH-ND1 3.45Å; L845-H849 PolarHBondContact O-N 3.31Å; L845-H849 PolarHBondContact O-ND1 2.9Å; Q846-H849 PolarHBondContact O-N 2.89Å; H849-A853 VanDerWaalsContact O-CB 3.28Å; H849-A853 WeakPolarHBondContact O-CB 3.34Å; H849-A853 PolarHBondContact O-N 3.12Å
850	V	92.8	Very high	93	Very high	6 Å²	6	58.2 Å²	58.2	4%	0.036	31%	0.311	C	S	.	.	H	α-helix	trans	-65.8	-41.1	176.6	172.2	0	0	0	0	111.1	P767 V770 Q846 F847 A853 R854	P767-V850 HydrophobicContact CB-CG1 4.36Å; P767-V850 HydrophobicContact CG-CG1 3.97Å; V770-V850 HydrophobicContact CB-CG2 4.16Å; V770-V850 HydrophobicContact CG1-CG2 3.95Å; Q846-V850 WeakPolarHBondContact O-CG2 3.35Å; Q846-V850 PolarHBondContact O-N 3.2Å; F847-V850 PolarHBondContact O-N 2.84Å; V850-A853 PolarHBondContact O-N 2.94Å; V850-R854 WeakPolarHBondContact O-CB 3.37Å; V850-R854 WeakPolarHBondContact O-CG 3.47Å; V850-R854 PolarHBondContact O-N 2.92Å
851	L	92.9	Very high	93.2	Very high	53 Å²	53	55.6 Å²	55.6	28%	0.277	29%	0.293	S	S	.	.	H	α-helix	trans	-64.7	-45.1	176.7	-177.5	60.2	0	0	0	112.2	F847 W848 R854 L855	F847-L851 HydrophobicContact CE1-CD2 4.05Å; F847-L851 WeakPolarHBondContact O-CB 3.14Å; F847-L851 PolarHBondContact O-N 3.49Å; W848-L851 HydrophobicContact CE3-CD2 4.07Å; W848-L851 HydrophobicContact CZ3-CD2 3.98Å; W848-L851 PolarHBondContact O-N 3.35Å; L851-R854 PolarHBondContact O-N 2.72Å; L851-L855 WeakPolarHBondContact O-CG 3.47Å; L851-L855 PolarHBondContact O-N 3.4Å; L851-L855 VanDerWaalsContact O-N 3.11Å
852	A	95.3	Very high	93.4	Very high	60 Å²	60	57.4 Å²	57.4	50%	0.496	30%	0.302	S	S	.	.	H	α-helix	trans	-62.7	-44.5	176.4	0	0	0	0	0	111.8	W848 R854 L855 A856	W848-A852 VanDerWaalsContact O-CB 3.32Å; W848-A852 WeakPolarHBondContact O-CB 3.39Å; W848-A852 PolarHBondContact O-N 3.09Å; A852-R854 VanDerWaalsContact C-N 3.33Å; A852-R854 PolarHBondContact O-N 2.94Å; A852-L855 PolarHBondContact O-N 3.33Å; A852-A856 WeakPolarHBondContact O-CB 3.47Å; A852-A856 PolarHBondContact O-N 3.44Å
853	A	95.3	Very high	93.6	Very high	30 Å²	30	60.8 Å²	60.8	25%	0.248	31%	0.314	C	S	.	.	H	α-helix	trans	-62.6	-37.7	176.6	0	0	0	0	0	112.6	I766 V770 H849 V850 F857	I766-A853 HydrophobicContact CG2-CB 3.77Å; V770-A853 HydrophobicContact CG2-CB 3.46Å; V770-A853 VanDerWaalsContact CG2-CB 3.46Å; H849-A853 VanDerWaalsContact O-CB 3.28Å; H849-A853 WeakPolarHBondContact O-CB 3.34Å; H849-A853 PolarHBondContact O-N 3.12Å; V850-A853 PolarHBondContact O-N 2.94Å; A853-F857 VanDerWaalsContact O-CB 3.29Å; A853-F857 WeakPolarHBondContact O-CB 3.2Å; A853-F857 PolarHBondContact O-N 3.47Å
854	R	94.8	Very high	93.7	Very high	26 Å²	26	59.9 Å²	59.9	10%	0.098	32%	0.315	C	S	.	.	H	α-helix	trans	-61.9	-48.6	174.7	-78.3	172.5	154	173.7	-14.6	112	A760 V761 I766 V850 L851 A852 F857 I858	A760-R854 HydrophobicContact CB-CB 4.4Å; A760-R854 HydrophobicContact CB-CG 4.5Å; A760-R854 WeakPolarHBondContact O-CD 3.4Å; A760-R854 WeakPolarHBondContact O-CG 3.39Å; A760-R854 PolarHBondContact O-NE 2.84Å; A760-R854 PolarHBondContact O-NH2 3.41Å; V761-R854 PolarHBondContact O-NH2 2.99Å; I766-R854 HydrophobicContact CB-CG 4.11Å; I766-R854 HydrophobicContact CG2-CG 3.8Å; V850-R854 WeakPolarHBondContact O-CB 3.37Å; V850-R854 WeakPolarHBondContact O-CG 3.47Å; V850-R854 PolarHBondContact O-N 2.92Å; L851-R854 PolarHBondContact O-N 2.72Å; A852-R854 VanDerWaalsContact C-N 3.33Å; A852-R854 PolarHBondContact O-N 2.94Å; R854-F857 PolarHBondContact O-N 3.06Å; R854-I858 WeakPolarHBondContact O-CG1 3.37Å; R854-I858 PolarHBondContact O-N 2.88Å; R854-I858 VanDerWaalsContact O-N 3.12Å
855	L	94.6	Very high	93.7	Very high	97 Å²	97	59.5 Å²	59.5	51%	0.508	31%	0.312	S	S	.	.	H	α-helix	trans	-65.6	-43.7	178.8	-66.7	172.3	0	0	0	111.7	L851 A852 F857 I858 I859	L851-L855 WeakPolarHBondContact O-CG 3.47Å; L851-L855 PolarHBondContact O-N 3.4Å; L851-L855 VanDerWaalsContact O-N 3.11Å; A852-L855 PolarHBondContact O-N 3.33Å; L855-F857 PolarHBondContact O-N 3.32Å; L855-I858 PolarHBondContact O-N 3.09Å; L855-I859 WeakPolarHBondContact O-CG1 3.13Å; L855-I859 PolarHBondContact O-N 3.48Å
856	A	95.8	Very high	93.7	Very high	53 Å²	53	55.8 Å²	55.8	44%	0.438	29%	0.291	S	S	.	.	H	α-helix	trans	-61.6	-41.8	176.1	0	0	0	0	0	112.3	A852 I859 V860	A852-A856 WeakPolarHBondContact O-CB 3.47Å; A852-A856 PolarHBondContact O-N 3.44Å; A856-I859 PolarHBondContact O-N 3.35Å; A856-V860 WeakPolarHBondContact O-CG2 3.19Å; A856-V860 PolarHBondContact O-N 3.06Å
857	F	94.7	Very high	93.8	Very high	39 Å²	39	56.3 Å²	56.3	17%	0.171	30%	0.304	C	S	.	.	H	α-helix	trans	-62.2	-45.6	176.7	178.2	-91.2	0	0	0	112.2	V398 I759 A760 F765 I766 A853 R854 L855 I859 V860 F861	V398-F857 HydrophobicContact CG1-CZ 4.17Å; I759-F857 HydrophobicContact CB-CE1 3.92Å; I759-F857 HydrophobicContact CB-CZ 4.35Å; I759-F857 HydrophobicContact CG2-CD1 4.46Å; I759-F857 HydrophobicContact CG2-CE1 3.52Å; I759-F857 HydrophobicContact CG2-CZ 3.58Å; A760-F857 HydrophobicContact CB-CD1 4.23Å; F765-F857 HydrophobicContact CE1-CE2 4.44Å; I766-F857 HydrophobicContact CD1-CB 3.8Å; I766-F857 HydrophobicContact CD1-CD1 4.09Å; I766-F857 HydrophobicContact CD1-CD2 3.59Å; I766-F857 HydrophobicContact CD1-CE2 4.18Å; I766-F857 HydrophobicContact CD1-CG 3.53Å; I766-F857 HydrophobicContact CG1-CB 4.46Å; I766-F857 HydrophobicContact CG1-CG 4.35Å; A853-F857 VanDerWaalsContact O-CB 3.29Å; A853-F857 WeakPolarHBondContact O-CB 3.2Å; A853-F857 PolarHBondContact O-N 3.47Å; R854-F857 PolarHBondContact O-N 3.06Å; L855-F857 PolarHBondContact O-N 3.32Å; F857-I859 PolarHBondContact O-N 2.89Å; F857-V860 PolarHBondContact O-N 3.5Å; F857-F861 HydrophobicContact CD1-CB 4.46Å; F857-F861 HydrophobicContact CE1-CB 4.1Å; F857-F861 HydrophobicContact CE1-CD2 4Å; F857-F861 HydrophobicContact CE1-CG 4.22Å; F857-F861 HydrophobicContact CE2-CD2 4.44Å; F857-F861 HydrophobicContact CZ-CB 4.26Å; F857-F861 AromaticContact CZ-CD2 3.63Å; F857-F861 HydrophobicContact CZ-CD2 3.63Å; F857-F861 HydrophobicContact CZ-CE2 4.36Å; F857-F861 HydrophobicContact CZ-CG 4.26Å; F857-F861 WeakPolarHBondContact O-CB 3.48Å; F857-F861 PolarHBondContact O-N 2.93Å
858	I	94.9	Very high	93.7	Very high	13 Å²	13	57.8 Å²	57.8	7%	0.067	31%	0.312	C	S	.	.	H	α-helix	trans	-56.7	-51.9	178.2	-67.1	161	0	0	0	110	A756 F757 A760 R854 L855 V860 F861 E862	A756-I858 HydrophobicContact CB-CG2 4.34Å; F757-I858 HydrophobicContact CD1-CD1 3.79Å; F757-I858 HydrophobicContact CE1-CD1 3.75Å; F757-I858 HydrophobicContact CE2-CG2 4.28Å; F757-I858 HydrophobicContact CG-CD1 4.43Å; F757-I858 HydrophobicContact CZ-CD1 4.34Å; F757-I858 HydrophobicContact CZ-CG2 4.34Å; A760-I858 HydrophobicContact CB-CD1 3.73Å; A760-I858 HydrophobicContact CB-CG1 3.53Å; R854-I858 WeakPolarHBondContact O-CG1 3.37Å; R854-I858 PolarHBondContact O-N 2.88Å; R854-I858 VanDerWaalsContact O-N 3.12Å; L855-I858 PolarHBondContact O-N 3.09Å; I858-V860 PolarHBondContact O-N 2.97Å; I858-F861 PolarHBondContact O-N 2.95Å; I858-E862 WeakPolarHBondContact O-CB 3.4Å; I858-E862 PolarHBondContact O-N 3.31Å
859	I	94.9	Very high	93.4	Very high	98 Å²	98	52.6 Å²	52.6	50%	0.503	29%	0.293	S	S	.	.	H	α-helix	trans	-58.9	-48.3	-178.5	-65.5	166.9	0	0	0	111	L855 A856 F857 H863	L855-I859 WeakPolarHBondContact O-CG1 3.13Å; L855-I859 PolarHBondContact O-N 3.48Å; A856-I859 PolarHBondContact O-N 3.35Å; F857-I859 PolarHBondContact O-N 2.89Å; I859-H863 WeakPolarHBondContact O-CB 3.4Å; I859-H863 PolarHBondContact O-N 3.07Å; I859-H863 VanDerWaalsContact O-N 3.09Å; I859-H863 PolarHBondContact O-ND1 3.39Å
860	V	94.8	Very high	93.2	Very high	99 Å²	99	54.1 Å²	54.1	60%	0.6	31%	0.307	S	S	*	.	H	α-helix	trans	-66.6	-45.3	-178.7	172.2	0	0	0	0	111.6	A856 F857 I858 M864	A856-V860 WeakPolarHBondContact O-CG2 3.19Å; A856-V860 PolarHBondContact O-N 3.06Å; F857-V860 PolarHBondContact O-N 3.5Å; I858-V860 PolarHBondContact O-N 2.97Å; V860-M864 WeakPolarHBondContact O-CB 3.47Å; V860-M864 PolarHBondContact O-N 3.17Å
861	F	92.8	Very high	93.2	Very high	7 Å²	7	58.6 Å²	58.6	3%	0.031	33%	0.33	C	S	.	.	H	α-helix	trans	-61.8	-48	179	-176.5	-80.1	0	0	0	111.2	A401 V402 A756 I759 F857 I858 M864 V865	A401-F861 HydrophobicContact CB-CZ 4.11Å; V402-F861 HydrophobicContact CG2-CD2 4.24Å; V402-F861 HydrophobicContact CG2-CE2 3.51Å; V402-F861 HydrophobicContact CG2-CZ 3.99Å; A756-F861 HydrophobicContact CB-CD1 3.6Å; A756-F861 HydrophobicContact CB-CE1 4.1Å; A756-F861 HydrophobicContact CB-CG 4.29Å; I759-F861 HydrophobicContact CD1-CE2 4.06Å; I759-F861 HydrophobicContact CD1-CZ 4.23Å; F857-F861 HydrophobicContact CD1-CB 4.46Å; F857-F861 HydrophobicContact CE1-CB 4.1Å; F857-F861 HydrophobicContact CE1-CD2 4Å; F857-F861 HydrophobicContact CE1-CG 4.22Å; F857-F861 HydrophobicContact CE2-CD2 4.44Å; F857-F861 HydrophobicContact CZ-CB 4.26Å; F857-F861 AromaticContact CZ-CD2 3.63Å; F857-F861 HydrophobicContact CZ-CD2 3.63Å; F857-F861 HydrophobicContact CZ-CE2 4.36Å; F857-F861 HydrophobicContact CZ-CG 4.26Å; F857-F861 WeakPolarHBondContact O-CB 3.48Å; F857-F861 PolarHBondContact O-N 2.93Å; I858-F861 PolarHBondContact O-N 2.95Å; F861-M864 PolarHBondContact O-N 3.43Å; F861-V865 HydrophobicContact CD1-CG2 4.15Å; F861-V865 HydrophobicContact CE1-CG2 3.99Å; F861-V865 HydrophobicContact CZ-CG2 4.28Å; F861-V865 WeakPolarHBondContact O-CB 3.25Å; F861-V865 VanDerWaalsContact O-CG2 3.25Å; F861-V865 WeakPolarHBondContact O-CG2 3.36Å; F861-V865 PolarHBondContact O-N 3.21Å
862	E	93.6	Very high	93	Very high	50 Å²	50	57.4 Å²	57.4	23%	0.234	32%	0.324	C	S	.	.	H	α-helix	trans	-60	-52.9	-179.5	-176.8	175.7	-169.1	0	0	111.7	I858 M864 V865 F866	I858-E862 WeakPolarHBondContact O-CB 3.4Å; I858-E862 PolarHBondContact O-N 3.31Å; E862-M864 PolarHBondContact O-N 3.19Å; E862-V865 PolarHBondContact O-N 3.23Å; E862-F866 HydrophobicContact CG-CD2 3.62Å; E862-F866 HydrophobicContact CG-CE2 3.47Å; E862-F866 VanDerWaalsContact CG-CE2 3.47Å; E862-F866 WeakPolarHBondContact O-CB 3.31Å; E862-F866 VanDerWaalsContact O-CD2 3.31Å; E862-F866 WeakPolarHBondContact O-CD2 3.46Å; E862-F866 PolarHBondContact O-N 3.36Å
863	H	94.3	Very high	92.6	Very high	123 Å²	123	56.4 Å²	56.4	57%	0.569	32%	0.315	S	S	*	.	H	α-helix	trans	-66.8	-39.1	-178.7	-71.5	74.7	0	0	0	112.1	I859 A867	I859-H863 WeakPolarHBondContact O-CB 3.4Å; I859-H863 PolarHBondContact O-N 3.07Å; I859-H863 VanDerWaalsContact O-N 3.09Å; I859-H863 PolarHBondContact O-ND1 3.39Å; H863-A867 VanDerWaalsContact O-CB 3.26Å; H863-A867 WeakPolarHBondContact O-CB 3.39Å; H863-A867 PolarHBondContact O-N 3.08Å
864	M	93.3	Very high	92.3	Very high	84 Å²	84	64.3 Å²	64.3	41%	0.414	34%	0.34	S	S	.	.	H	α-helix	trans	-60.7	-48.9	174.7	179.3	-174.9	69	0	0	111.2	V402 V860 F861 E862 A867 I868	V402-M864 HydrophobicContact CG1-CE 4.49Å; V402-M864 HydrophobicContact CG2-CE 4.04Å; V860-M864 WeakPolarHBondContact O-CB 3.47Å; V860-M864 PolarHBondContact O-N 3.17Å; F861-M864 PolarHBondContact O-N 3.43Å; E862-M864 PolarHBondContact O-N 3.19Å; M864-A867 PolarHBondContact O-N 3.18Å; M864-I868 HydrophobicContact CG-CD1 3.95Å; M864-I868 VanDerWaalsContact O-CG1 3.27Å; M864-I868 WeakPolarHBondContact O-CG1 3.48Å; M864-I868 PolarHBondContact O-N 3.46Å
865	V	90.8	Very high	92.1	Very high	6 Å²	6	68.5 Å²	68.5	4%	0.036	36%	0.364	C	S	.	.	H	α-helix	trans	-70.5	-37	-176.8	174.2	0	0	0	0	111.6	V402 A405 V752 F861 E862 I868 K869	V402-V865 HydrophobicContact CG1-CG2 4.39Å; V402-V865 HydrophobicContact CG2-CG2 4.31Å; A405-V865 HydrophobicContact CB-CG1 3.44Å; A405-V865 VanDerWaalsContact CB-CG1 3.44Å; V752-V865 HydrophobicContact CB-CG1 4.27Å; V752-V865 HydrophobicContact CG1-CB 3.84Å; V752-V865 HydrophobicContact CG1-CG1 3.62Å; V752-V865 HydrophobicContact CG2-CG1 3.62Å; F861-V865 HydrophobicContact CD1-CG2 4.15Å; F861-V865 HydrophobicContact CE1-CG2 3.99Å; F861-V865 HydrophobicContact CZ-CG2 4.28Å; F861-V865 WeakPolarHBondContact O-CB 3.25Å; F861-V865 VanDerWaalsContact O-CG2 3.25Å; F861-V865 WeakPolarHBondContact O-CG2 3.36Å; F861-V865 PolarHBondContact O-N 3.21Å; E862-V865 PolarHBondContact O-N 3.23Å; V865-I868 PolarHBondContact O-N 2.91Å; V865-K869 PolarHBondContact O-N 3.01Å
866	F	91.9	Very high	91.8	Very high	49 Å²	49	65 Å²	65	22%	0.215	35%	0.345	C	S	.	.	H	α-helix	trans	-69.8	-34.1	173.4	-74.7	-47.8	0	0	0	113.4	I749 V752 I753 E862 K869 T870	I749-F866 HydrophobicContact CG2-CE1 4.14Å; I749-F866 HydrophobicContact CG2-CZ 3.95Å; V752-F866 HydrophobicContact CB-CE1 4.02Å; V752-F866 HydrophobicContact CB-CZ 3.93Å; V752-F866 HydrophobicContact CG1-CD2 4.49Å; V752-F866 HydrophobicContact CG1-CE1 4.2Å; V752-F866 HydrophobicContact CG1-CE2 4.17Å; V752-F866 HydrophobicContact CG1-CZ 4Å; V752-F866 HydrophobicContact CG2-CE1 4.04Å; V752-F866 HydrophobicContact CG2-CZ 4.46Å; I753-F866 HydrophobicContact CG1-CE2 4.41Å; I753-F866 HydrophobicContact CG1-CZ 4.23Å; E862-F866 HydrophobicContact CG-CD2 3.62Å; E862-F866 HydrophobicContact CG-CE2 3.47Å; E862-F866 VanDerWaalsContact CG-CE2 3.47Å; E862-F866 WeakPolarHBondContact O-CB 3.31Å; E862-F866 VanDerWaalsContact O-CD2 3.31Å; E862-F866 WeakPolarHBondContact O-CD2 3.46Å; E862-F866 PolarHBondContact O-N 3.36Å; F866-K869 PolarHBondContact O-N 3.26Å; F866-T870 WeakPolarHBondContact O-CB 3.38Å; F866-T870 PolarHBondContact O-N 3.47Å; F866-T870 PolarHBondContact O-OG1 3.34Å
867	A	92.9	Very high	91.4	Very high	60 Å²	60	65.4 Å²	65.4	50%	0.496	34%	0.344	S	S	.	.	H	α-helix	trans	-62.4	-44.4	171.1	0	0	0	0	0	111.1	H863 M864 T870 L871	H863-A867 VanDerWaalsContact O-CB 3.26Å; H863-A867 WeakPolarHBondContact O-CB 3.39Å; H863-A867 PolarHBondContact O-N 3.08Å; M864-A867 PolarHBondContact O-N 3.18Å; A867-T870 PolarHBondContact O-N 3.04Å; A867-L871 WeakPolarHBondContact O-CB 3.29Å; A867-L871 PolarHBondContact O-N 3.25Å
868	I	90.6	Very high	91.1	Very high	54 Å²	54	67.2 Å²	67.2	28%	0.277	36%	0.355	S	S	.	.	H	α-helix	trans	-64.6	-43.9	175.7	-64.2	163.6	0	0	0	111.3	V406 M864 V865 T870 L871 I872	V406-I868 HydrophobicContact CG2-CG2 3.68Å; M864-I868 HydrophobicContact CG-CD1 3.95Å; M864-I868 VanDerWaalsContact O-CG1 3.27Å; M864-I868 WeakPolarHBondContact O-CG1 3.48Å; M864-I868 PolarHBondContact O-N 3.46Å; V865-I868 PolarHBondContact O-N 2.91Å; I868-T870 VanDerWaalsContact C-N 3.32Å; I868-T870 PolarHBondContact O-N 3.37Å; I868-L871 PolarHBondContact O-N 3.32Å; I868-I872 HydrophobicContact CG2-CD1 3.71Å; I868-I872 HydrophobicContact CG2-CG1 4.37Å; I868-I872 VanDerWaalsContact O-CG1 3.3Å; I868-I872 WeakPolarHBondContact O-CG1 3.44Å; I868-I872 PolarHBondContact O-N 3.46Å
869	K	87.4	Confident	90.6	Very high	34 Å²	34	69.7 Å²	69.7	15%	0.148	37%	0.368	C	S	.	.	H	α-helix	trans	-52.5	-50.9	172.7	169.8	170.8	-178.5	-175	0	110.8	T409 E745 V865 F866 I872 A873	T409-K869 HydrophobicContact CG2-CB 3.87Å; T409-K869 HydrophobicContact CG2-CD 3.62Å; T409-K869 HydrophobicContact CG2-CG 3.49Å; T409-K869 VanDerWaalsContact CG2-CG 3.49Å; E745-K869 IonicContact OE1-NZ 2.77Å; E745-K869 PolarHBondContact OE1-NZ 2.91Å; V865-K869 PolarHBondContact O-N 3.01Å; F866-K869 PolarHBondContact O-N 3.26Å; K869-I872 PolarHBondContact O-N 3.43Å; K869-A873 PolarHBondContact O-N 2.97Å
870	T	88.6	Confident	90.3	Very high	95 Å²	95	66.2 Å²	66.2	58%	0.583	35%	0.352	S	S	*	.	H	α-helix	trans	-65.5	-41.5	-175.8	-54.2	0	0	0	0	111.5	F866 A867 I868 A873 Y874	F866-T870 WeakPolarHBondContact O-CB 3.38Å; F866-T870 PolarHBondContact O-N 3.47Å; F866-T870 PolarHBondContact O-OG1 3.34Å; A867-T870 PolarHBondContact O-N 3.04Å; I868-T870 VanDerWaalsContact C-N 3.32Å; I868-T870 PolarHBondContact O-N 3.37Å; T870-A873 PolarHBondContact O-N 3.02Å; T870-Y874 WeakPolarHBondContact O-CB 3.15Å; T870-Y874 PolarHBondContact O-N 2.99Å
871	L	92.6	Very high	89.7	Confident	101 Å²	101	68.9 Å²	68.9	53%	0.529	36%	0.356	S	S	.	.	H	α-helix	trans	-62.7	-42.5	175.3	-179.4	61.7	0	0	0	112.1	A867 I868 Y874 L875	A867-L871 WeakPolarHBondContact O-CB 3.29Å; A867-L871 PolarHBondContact O-N 3.25Å; I868-L871 PolarHBondContact O-N 3.32Å; L871-Y874 PolarHBondContact O-N 3.41Å; L871-L875 HydrophobicContact CD1-CD1 4.02Å; L871-L875 HydrophobicContact CD1-CG 4.24Å; L871-L875 HydrophobicContact CG-CD1 3.92Å; L871-L875 WeakPolarHBondContact O-CB 3.41Å; L871-L875 VanDerWaalsContact O-CG 3.25Å; L871-L875 WeakPolarHBondContact O-CG 3.22Å; L871-L875 PolarHBondContact O-N 2.76Å
872	I	90.1	Very high	89.1	Confident	27 Å²	27	73 Å²	73	14%	0.138	38%	0.378	C	S	.	.	H	α-helix	trans	-64.4	-45.4	177.6	-70.8	168.8	0	0	0	111	V406 V410 I868 K869 Y874 L875 I876	V406-I872 HydrophobicContact CB-CD1 4.47Å; V406-I872 HydrophobicContact CG1-CD1 3.85Å; V406-I872 HydrophobicContact CG2-CD1 4.32Å; V410-I872 HydrophobicContact CG2-CD1 4.28Å; V410-I872 HydrophobicContact CG2-CG2 3.93Å; I868-I872 HydrophobicContact CG2-CD1 3.71Å; I868-I872 HydrophobicContact CG2-CG1 4.37Å; I868-I872 VanDerWaalsContact O-CG1 3.3Å; I868-I872 WeakPolarHBondContact O-CG1 3.44Å; I868-I872 PolarHBondContact O-N 3.46Å; K869-I872 PolarHBondContact O-N 3.43Å; I872-Y874 VanDerWaalsContact C-N 3.3Å; I872-Y874 PolarHBondContact O-N 2.81Å; I872-L875 PolarHBondContact O-N 2.78Å; I872-I876 HydrophobicContact CG2-CD1 3.74Å; I872-I876 HydrophobicContact CG2-CG1 4.46Å; I872-I876 WeakPolarHBondContact O-CB 3.38Å; I872-I876 WeakPolarHBondContact O-CG1 3.39Å; I872-I876 PolarHBondContact O-N 2.89Å
873	A	85.4	Confident	88.5	Confident	39 Å²	39	70.8 Å²	70.8	32%	0.322	37%	0.368	S	S	.	.	H	α-helix	trans	-62.7	-35.4	176.6	0	0	0	0	0	112.4	E413 K869 T870	E413-A873 HydrophobicContact CG-CB 4.47Å; K869-A873 PolarHBondContact O-N 2.97Å; T870-A873 PolarHBondContact O-N 3.02Å
874	Y	89.4	Confident	88.1	Confident	196 Å²	196	68.5 Å²	68.5	77%	0.769	35%	0.354	S	S	*	.	H	α-helix	trans	-69.6	-38.4	173.6	-179	-98.7	0	0	0	113	T870 L871 I872	T870-Y874 WeakPolarHBondContact O-CB 3.15Å; T870-Y874 PolarHBondContact O-N 2.99Å; L871-Y874 PolarHBondContact O-N 3.41Å; I872-Y874 VanDerWaalsContact C-N 3.3Å; I872-Y874 PolarHBondContact O-N 2.81Å
875	L	90.8	Very high	87.5	Confident	114 Å²	114	68.3 Å²	68.3	60%	0.597	36%	0.355	S	S	*	.	H	α-helix	trans	-76	-24.2	-178.9	-73.4	171.2	0	0	0	113.8	L871 I872 P877	L871-L875 HydrophobicContact CD1-CD1 4.02Å; L871-L875 HydrophobicContact CD1-CG 4.24Å; L871-L875 HydrophobicContact CG-CD1 3.92Å; L871-L875 WeakPolarHBondContact O-CB 3.41Å; L871-L875 VanDerWaalsContact O-CG 3.25Å; L871-L875 WeakPolarHBondContact O-CG 3.22Å; L871-L875 PolarHBondContact O-N 2.76Å; I872-L875 PolarHBondContact O-N 2.78Å; L875-P877 WeakPolarHBondContact O-CD 3.21Å
876	I	88.3	Confident	87	Confident	23 Å²	23	72.5 Å²	72.5	12%	0.118	37%	0.37	C	S	.	.	S	Bend	trans	-104.6	100.8	-176.7	-62.5	179.4	0	0	0	110.2	E413 F414 R417 I872 D878	E413-I876 HydrophobicContact CB-CB 4.2Å; E413-I876 HydrophobicContact CB-CD1 4.24Å; E413-I876 HydrophobicContact CB-CG2 3.85Å; F414-I876 HydrophobicContact CD2-CD1 4.44Å; F414-I876 HydrophobicContact CE2-CD1 4.05Å; R417-I876 VanDerWaalsContact CD-CG2 3.43Å; I872-I876 HydrophobicContact CG2-CD1 3.74Å; I872-I876 HydrophobicContact CG2-CG1 4.46Å; I872-I876 WeakPolarHBondContact O-CB 3.38Å; I872-I876 WeakPolarHBondContact O-CG1 3.39Å; I872-I876 PolarHBondContact O-N 2.89Å; I876-D878 PolarHBondContact O-N 3.12Å
877	P	88.1	Confident	86.5	Confident	62 Å²	62	73 Å²	73	40%	0.403	37%	0.374	S	S	.	.			trans	-72.9	130.6	179	28.6	-34.6	0	0	0	111.8	R417 L875 L879	R417-P877 VanDerWaalsContact CD-O 3.23Å; R417-P877 WeakPolarHBondContact CD-O 3.4Å; R417-P877 VanDerWaalsContact CG-O 3.3Å; R417-P877 WeakPolarHBondContact CG-O 3.38Å; L875-P877 WeakPolarHBondContact O-CD 3.21Å; P877-L879 PolarHBondContact O-N 3.31Å
878	D	87.3	Confident	86.1	Confident	77 Å²	77	77.3 Å²	77.3	41%	0.412	38%	0.377	S	S	.	.	S	Bend	trans	-49.2	-33.3	-179.7	-67.3	-74.7	0	0	0	114.4	K416 R417 I876	K416-D878 WeakPolarHBondContact CD-OD1 3.29Å; K416-D878 WeakPolarHBondContact CE-OD1 3.47Å; K416-D878 IonicContact NZ-OD1 3.75Å; K416-D878 PolarHBondContact NZ-OD1 3.33Å; K416-D878 IonicContact NZ-OD2 2.72Å; R417-D878 WeakPolarHBondContact CA-O 3.49Å; R417-D878 WeakPolarHBondContact CG-O 3.46Å; I876-D878 PolarHBondContact O-N 3.12Å
879	L	85.1	Confident	85.6	Confident	65 Å²	65	79.6 Å²	79.6	34%	0.34	38%	0.382	S	S	.	.	S	Bend	trans	-106	126.5	178	-78.6	163.9	0	0	0	110.7	A420 P877 L883 R884	A420-L879 HydrophobicContact CB-CD2 3.92Å; P877-L879 PolarHBondContact O-N 3.31Å; L879-L883 HydrophobicContact CD2-CD2 3.79Å; L879-L883 HydrophobicContact CD2-CG 4.45Å; L879-R884 HydrophobicContact CB-CG 3.97Å; L879-R884 VanDerWaalsContact CB-NH1 3.29Å; L879-R884 HydrophobicContact CD1-CG 4.25Å; L879-R884 PolarHBondContact O-NH1 2.69Å
880	P	87.6	Confident	85	Confident	25 Å²	25	79.1 Å²	79.1	16%	0.162	38%	0.381	C	S	.	.			trans	-65.6	147.3	169.1	20.4	-23.2	0	0	0	111.7	V421 D882 L883 R884	V421-P880 HydrophobicContact CG2-CG 3.6Å; P880-D882 PolarHBondContact O-N 3.08Å; P880-L883 HydrophobicContact CG-CB 3.83Å; P880-L883 HydrophobicContact CG-CD2 4.26Å; P880-L883 PolarHBondContact O-N 3.48Å; P880-R884 PolarHBondContact O-N 3.03Å
881	K	83.4	Confident	84.5	Confident	155 Å²	155	81.3 Å²	81.3	67%	0.674	38%	0.382	S	S	*	.	H	α-helix	trans	-58.3	-48.2	-177.3	-69.3	-176.3	178.1	-177.9	0	112.2	L883 R884 D885	K881-L883 VanDerWaalsContact C-N 3.33Å; K881-L883 PolarHBondContact O-N 3.25Å; K881-R884 PolarHBondContact O-N 2.88Å; K881-D885 PolarHBondContact O-N 3.47Å; K881-D885 VanDerWaalsContact O-N 3.09Å
882	D	79.1	Confident	84	Confident	95 Å²	95	83.4 Å²	83.4	51%	0.508	38%	0.384	S	S	.	.	H	α-helix	trans	-55.3	-45.4	179.5	-173.5	72	0	0	0	112.4	P880 R884 D885 R886	P880-D882 PolarHBondContact O-N 3.08Å; D882-R884 PolarHBondContact O-N 3.27Å; D882-D885 PolarHBondContact O-N 3.14Å; D882-D885 VanDerWaalsContact O-N 3.14Å; D882-R886 WeakPolarHBondContact O-CG 3.43Å; D882-R886 PolarHBondContact O-N 3.47Å; D882-R886 IonicContact OD2-CZ 3.56Å; D882-R886 IonicContact OD2-NE 2.87Å; D882-R886 PolarHBondContact OD2-NE 2.86Å; D882-R886 IonicContact OD2-NH2 2.92Å; D882-R886 PolarHBondContact OD2-NH2 3.35Å
883	L	82.6	Confident	83.2	Confident	3 Å²	3	83.5 Å²	83.5	2%	0.016	39%	0.385	C	S	.	.	H	α-helix	trans	-61.2	-45.6	177.5	173.3	57.8	0	0	0	112.4	A420 V421 Y424 L879 P880 K881 D885 R886 M887	A420-L883 HydrophobicContact CB-CD2 4.18Å; A420-L883 WeakPolarHBondContact O-CD2 3.37Å; V421-L883 HydrophobicContact CG2-CD2 4.14Å; Y424-L883 HydrophobicContact CD1-CD1 3.56Å; Y424-L883 HydrophobicContact CD2-CD1 3.64Å; Y424-L883 HydrophobicContact CE1-CD1 4.27Å; Y424-L883 HydrophobicContact CE2-CD1 4.34Å; Y424-L883 HydrophobicContact CG-CD1 3.2Å; L879-L883 HydrophobicContact CD2-CD2 3.79Å; L879-L883 HydrophobicContact CD2-CG 4.45Å; P880-L883 HydrophobicContact CG-CB 3.83Å; P880-L883 HydrophobicContact CG-CD2 4.26Å; P880-L883 PolarHBondContact O-N 3.48Å; K881-L883 VanDerWaalsContact C-N 3.33Å; K881-L883 PolarHBondContact O-N 3.25Å; L883-D885 PolarHBondContact O-N 3.26Å; L883-R886 WeakPolarHBondContact O-CB 3.12Å; L883-R886 PolarHBondContact O-N 2.89Å; L883-M887 HydrophobicContact CD1-CG 3.92Å; L883-M887 HydrophobicContact CD1-SD 4.07Å; L883-M887 HydrophobicContact CG-CG 4.41Å; L883-M887 HydrophobicContact CG-SD 4.06Å; L883-M887 WeakPolarHBondContact O-CG 3.38Å; L883-M887 PolarHBondContact O-N 3.4Å
884	R	84.5	Confident	82.5	Confident	75 Å²	75	84.4 Å²	84.4	28%	0.283	38%	0.383	S	S	.	.	H	α-helix	trans	-60.9	-35	175.8	-70.3	-164.8	-65.7	-92.5	-2.6	112.1	L879 P880 K881 D882 R888	L879-R884 HydrophobicContact CB-CG 3.97Å; L879-R884 VanDerWaalsContact CB-NH1 3.29Å; L879-R884 HydrophobicContact CD1-CG 4.25Å; L879-R884 PolarHBondContact O-NH1 2.69Å; P880-R884 PolarHBondContact O-N 3.03Å; K881-R884 PolarHBondContact O-N 2.88Å; D882-R884 PolarHBondContact O-N 3.27Å; R884-R888 WeakPolarHBondContact O-CB 3.01Å; R884-R888 WeakPolarHBondContact O-CG 3.28Å; R884-R888 PolarHBondContact O-N 3.35Å; R884-R888 PolarHBondContact O-NH1 3.28Å
885	D	81.6	Confident	81.9	Confident	79 Å²	79	80.6 Å²	80.6	42%	0.422	37%	0.373	S	S	.	.	H	α-helix	trans	-73.1	-34.5	178.2	-63.2	-15	0	0	0	111.4	K881 D882 L883 R888 R889	K881-D885 PolarHBondContact O-N 3.47Å; K881-D885 VanDerWaalsContact O-N 3.09Å; D882-D885 PolarHBondContact O-N 3.14Å; D882-D885 VanDerWaalsContact O-N 3.14Å; L883-D885 PolarHBondContact O-N 3.26Å; D885-R888 IonicContact OD1-CZ 3.63Å; D885-R888 IonicContact OD1-NH1 3.88Å; D885-R888 PolarHBondContact OD1-NH1 3.29Å; D885-R888 IonicContact OD1-NH2 3.7Å; D885-R889 WeakPolarHBondContact O-CB 3.37Å; D885-R889 PolarHBondContact O-N 3.35Å
886	R	80.3	Confident	81.3	Confident	94 Å²	94	78.4 Å²	78.4	36%	0.355	36%	0.359	S	S	.	.	H	α-helix	trans	-62.4	-54.8	167.7	-63.6	-175.2	-146.3	170.1	4.5	111.9	Y424 D425 D882 L883 R888 R889 E890	Y424-R886 HydrophobicContact CE1-CB 4.15Å; D425-R886 IonicContact OD1-NH1 2.75Å; D425-R886 PolarHBondContact OD1-NH1 3.42Å; D425-R886 VanDerWaalsContact OD1-NH1 3.12Å; D882-R886 WeakPolarHBondContact O-CG 3.43Å; D882-R886 PolarHBondContact O-N 3.47Å; D882-R886 IonicContact OD2-CZ 3.56Å; D882-R886 IonicContact OD2-NE 2.87Å; D882-R886 PolarHBondContact OD2-NE 2.86Å; D882-R886 IonicContact OD2-NH2 2.92Å; D882-R886 PolarHBondContact OD2-NH2 3.35Å; L883-R886 WeakPolarHBondContact O-CB 3.12Å; L883-R886 PolarHBondContact O-N 2.89Å; R886-R888 VanDerWaalsContact C-N 3.34Å; R886-R888 PolarHBondContact O-N 2.77Å; R886-R889 WeakPolarHBondContact O-CA 3.32Å; R886-R889 WeakPolarHBondContact O-CB 3.4Å; R886-R889 PolarHBondContact O-N 3.33Å; R886-E890 PolarHBondContact O-N 3.05Å
887	M	81.3	Confident	80.4	Confident	61 Å²	61	79.8 Å²	79.8	30%	0.3	37%	0.366	S	S	.	.	H	α-helix	trans	-57.9	-42.8	-178.1	-69.3	176.6	73.5	0	0	112.5	Y424 I429 L883 R889 E890 K891	Y424-M887 HydrophobicContact CD2-CG 3.63Å; Y424-M887 HydrophobicContact CD2-SD 4.45Å; Y424-M887 HydrophobicContact CE2-CG 3.64Å; I429-M887 HydrophobicContact CD1-CE 3.64Å; I429-M887 HydrophobicContact CD1-SD 3.97Å; I429-M887 HydrophobicContact CG2-CE 4.08Å; L883-M887 HydrophobicContact CD1-CG 3.92Å; L883-M887 HydrophobicContact CD1-SD 4.07Å; L883-M887 HydrophobicContact CG-CG 4.41Å; L883-M887 HydrophobicContact CG-SD 4.06Å; L883-M887 WeakPolarHBondContact O-CG 3.38Å; L883-M887 PolarHBondContact O-N 3.4Å; M887-R889 VanDerWaalsContact C-N 3.35Å; M887-R889 PolarHBondContact O-N 3.15Å; M887-E890 PolarHBondContact O-N 3.46Å; M887-K891 WeakPolarHBondContact O-CB 3.39Å; M887-K891 PolarHBondContact O-N 2.84Å
888	R	83.4	Confident	79.5	Confident	150 Å²	150	82.1 Å²	82.1	57%	0.566	37%	0.373	S	S	*	.	H	α-helix	trans	-64.1	-39.3	175.2	-75.3	-162.3	-124.5	84.6	-6	112.2	R884 D885 R886 Y892	R884-R888 WeakPolarHBondContact O-CB 3.01Å; R884-R888 WeakPolarHBondContact O-CG 3.28Å; R884-R888 PolarHBondContact O-N 3.35Å; R884-R888 PolarHBondContact O-NH1 3.28Å; D885-R888 IonicContact OD1-CZ 3.63Å; D885-R888 IonicContact OD1-NH1 3.88Å; D885-R888 PolarHBondContact OD1-NH1 3.29Å; D885-R888 IonicContact OD1-NH2 3.7Å; R886-R888 VanDerWaalsContact C-N 3.34Å; R886-R888 PolarHBondContact O-N 2.77Å; R888-Y892 WeakPolarHBondContact O-CB 3.45Å; R888-Y892 PolarHBondContact O-N 3.01Å
889	R	80.4	Confident	79	Confident	101 Å²	101	85.9 Å²	85.9	38%	0.381	38%	0.382	S	S	.	.	H	α-helix	trans	-66.8	-42.2	177.8	-178	-174.3	-178.1	-169.5	2.2	111.9	M162 D885 R886 M887 Y892 L893	M162-R889 PolarHBondContact SD-NH1 3.41Å; M162-R889 PolarHBondContact SD-NH2 3.38Å; D885-R889 WeakPolarHBondContact O-CB 3.37Å; D885-R889 PolarHBondContact O-N 3.35Å; R886-R889 WeakPolarHBondContact O-CA 3.32Å; R886-R889 WeakPolarHBondContact O-CB 3.4Å; R886-R889 PolarHBondContact O-N 3.33Å; M887-R889 VanDerWaalsContact C-N 3.35Å; M887-R889 PolarHBondContact O-N 3.15Å; R889-Y892 PolarHBondContact O-N 2.94Å; R889-L893 HydrophobicContact CG-CD1 4.02Å; R889-L893 VanDerWaalsContact O-CG 3.29Å; R889-L893 WeakPolarHBondContact O-CG 3.42Å; R889-L893 PolarHBondContact O-N 3.3Å
890	E	74.8	Confident	78.7	Confident	25 Å²	25	86.4 Å²	86.4	12%	0.117	38%	0.383	C	S	.	.	H	α-helix	trans	-63.4	-48.3	176.2	177.4	164.7	-152.6	0	0	111.6	F204 Y424 R886 M887 Y892 L893 I894	F204-E890 HydrophobicContact CD1-CB 4.15Å; F204-E890 HydrophobicContact CD1-CG 3.76Å; F204-E890 HydrophobicContact CE1-CB 3.99Å; F204-E890 HydrophobicContact CE1-CG 4.13Å; Y424-E890 WeakPolarHBondContact CE2-OE2 3.27Å; Y424-E890 PolarHBondContact OH-OE2 3.47Å; R886-E890 PolarHBondContact O-N 3.05Å; M887-E890 PolarHBondContact O-N 3.46Å; E890-Y892 VanDerWaalsContact C-N 3.28Å; E890-Y892 PolarHBondContact O-N 3.13Å; E890-L893 PolarHBondContact O-N 3.25Å; E890-L893 VanDerWaalsContact O-N 3.15Å; E890-I894 HydrophobicContact CG-CD1 3.77Å; E890-I894 HydrophobicContact CG-CG1 4.45Å; E890-I894 WeakPolarHBondContact O-CG1 3.46Å; E890-I894 PolarHBondContact O-N 2.04Å
891	K	78.9	Confident	78	Confident	141 Å²	141	87.4 Å²	87.4	61%	0.613	39%	0.393	S	S	*	.	H	α-helix	trans	-57	-41.3	175.1	-173.8	163.1	-175.1	161.6	0	112.3	M887 Q895	M887-K891 WeakPolarHBondContact O-CB 3.39Å; M887-K891 PolarHBondContact O-N 2.84Å; K891-Q895 VanDerWaalsContact O-CG 3.31Å; K891-Q895 WeakPolarHBondContact O-CG 3.31Å; K891-Q895 PolarHBondContact O-N 2.03Å
892	Y	80.6	Confident	77.7	Confident	144 Å²	144	85.9 Å²	85.9	57%	0.565	39%	0.388	S	S	*	.	H	α-helix	trans	-62.7	-48.5	174.3	177.1	-93.7	0	0	0	112.5	R888 R889 E890 I894 Q895 E896	R888-Y892 WeakPolarHBondContact O-CB 3.45Å; R888-Y892 PolarHBondContact O-N 3.01Å; R889-Y892 PolarHBondContact O-N 2.94Å; E890-Y892 VanDerWaalsContact C-N 3.28Å; E890-Y892 PolarHBondContact O-N 3.13Å; Y892-I894 VanDerWaalsContact C-N 3.33Å; Y892-I894 PolarHBondContact O-N 3Å; Y892-Q895 PolarHBondContact O-N 3.34Å; Y892-E896 PolarHBondContact O-N 3.43Å
893	L	73.7	Confident	78	Confident	30 Å²	30	84.7 Å²	84.7	16%	0.157	38%	0.382	C	S	.	.	H	α-helix	trans	-64.3	-36.2	178.7	-71.2	168.1	0	0	0	112.2	F204 R889 E890 E896 M897	F204-L893 HydrophobicContact CE1-CD1 4.28Å; F204-L893 HydrophobicContact CE2-CD1 3.63Å; F204-L893 HydrophobicContact CZ-CD1 3.44Å; F204-L893 VanDerWaalsContact CZ-CD1 3.44Å; R889-L893 HydrophobicContact CG-CD1 4.02Å; R889-L893 VanDerWaalsContact O-CG 3.29Å; R889-L893 WeakPolarHBondContact O-CG 3.42Å; R889-L893 PolarHBondContact O-N 3.3Å; E890-L893 PolarHBondContact O-N 3.25Å; E890-L893 VanDerWaalsContact O-N 3.15Å; L893-E896 PolarHBondContact O-N 2.83Å; L893-M897 WeakPolarHBondContact O-CB 3.32Å; L893-M897 WeakPolarHBondContact O-CE 3.23Å; L893-M897 VanDerWaalsContact O-CG 3.27Å; L893-M897 WeakPolarHBondContact O-CG 3.12Å; L893-M897 PolarHBondContact O-N 2.89Å
894	I	72.2	Confident	77.9	Confident	57 Å²	57	88.4 Å²	88.4	29%	0.292	40%	0.399	S	S	.	.	H	α-helix	trans	-65.1	-42.1	174.5	-69.5	168.9	0	0	0	110.6	E890 Y892 M897 M898	E890-I894 HydrophobicContact CG-CD1 3.77Å; E890-I894 HydrophobicContact CG-CG1 4.45Å; E890-I894 WeakPolarHBondContact O-CG1 3.46Å; E890-I894 PolarHBondContact O-N 2.04Å; Y892-I894 VanDerWaalsContact C-N 3.33Å; Y892-I894 PolarHBondContact O-N 3Å; I894-M897 HydrophobicContact CG1-CE 4.26Å; I894-M897 PolarHBondContact O-N 3.46Å; I894-M898 HydrophobicContact CG2-CE 3.72Å; I894-M898 HydrophobicContact CG2-SD 4.12Å; I894-M898 WeakPolarHBondContact O-CB 3.31Å; I894-M898 VanDerWaalsContact O-CG 3.26Å; I894-M898 WeakPolarHBondContact O-CG 3.09Å; I894-M898 PolarHBondContact O-N 3.37Å
895	Q	75.4	Confident	77.6	Confident	116 Å²	116	92.5 Å²	92.5	54%	0.542	42%	0.415	S	S	.	.	H	α-helix	trans	-64.3	-42.2	174.9	-72.5	175.5	-46.6	0	0	112.2	K891 Y892 M898 Y899	K891-Q895 VanDerWaalsContact O-CG 3.31Å; K891-Q895 WeakPolarHBondContact O-CG 3.31Å; K891-Q895 PolarHBondContact O-N 2.03Å; Y892-Q895 PolarHBondContact O-N 3.34Å; Q895-M898 PolarHBondContact O-N 3.09Å; Q895-Y899 WeakPolarHBondContact O-CB 3.08Å; Q895-Y899 PolarHBondContact O-N 3.44Å
896	E	79.3	Confident	77.6	Confident	68 Å²	68	93 Å²	93	32%	0.318	42%	0.417	S	S	.	.	H	α-helix	trans	-60.9	-46.8	174.9	-173.4	175.1	-154.2	0	0	111.6	Y892 L893 Y899 E900	Y892-E896 PolarHBondContact O-N 3.43Å; L893-E896 PolarHBondContact O-N 2.83Å; E896-Y899 PolarHBondContact O-N 3.17Å; E896-E900 PolarHBondContact O-N 2.7Å
897	M	69	Low	77.9	Confident	53 Å²	53	93.5 Å²	93.5	26%	0.261	42%	0.423	S	S	.	.	H	α-helix	trans	-68.3	-34.1	177.4	-70.1	-175.7	-59	0	0	113.4	F155 L893 I894 A901	F155-M897 HydrophobicContact CD1-CE 4.32Å; F155-M897 HydrophobicContact CD1-SD 4.03Å; F155-M897 HydrophobicContact CE1-CE 4.21Å; F155-M897 HydrophobicContact CE1-SD 3.66Å; L893-M897 WeakPolarHBondContact O-CB 3.32Å; L893-M897 WeakPolarHBondContact O-CE 3.23Å; L893-M897 VanDerWaalsContact O-CG 3.27Å; L893-M897 WeakPolarHBondContact O-CG 3.12Å; L893-M897 PolarHBondContact O-N 2.89Å; I894-M897 HydrophobicContact CG1-CE 4.26Å; I894-M897 PolarHBondContact O-N 3.46Å; M897-A901 WeakPolarHBondContact O-CB 3.29Å; M897-A901 PolarHBondContact O-N 2.67Å
898	M	68.4	Low	78	Confident	111 Å²	111	96.1 Å²	96.1	55%	0.547	43%	0.433	S	S	.	.	H	α-helix	trans	-63.1	-44	172.3	-77.4	175.4	175.2	0	0	110.9	I894 Q895 A901 E902	I894-M898 HydrophobicContact CG2-CE 3.72Å; I894-M898 HydrophobicContact CG2-SD 4.12Å; I894-M898 WeakPolarHBondContact O-CB 3.31Å; I894-M898 VanDerWaalsContact O-CG 3.26Å; I894-M898 WeakPolarHBondContact O-CG 3.09Å; I894-M898 PolarHBondContact O-N 3.37Å; Q895-M898 PolarHBondContact O-N 3.09Å; M898-A901 PolarHBondContact O-N 3.2Å; M898-E902 PolarHBondContact O-N 3.32Å
899	Y	77.8	Confident	78	Confident	156 Å²	156	92.5 Å²	92.5	61%	0.612	42%	0.422	S	S	*	.	H	α-helix	trans	-65	-45.1	177.1	-175.9	-102.7	0	0	0	112.3	Q895 E896 A901 E902 L903	Q895-Y899 WeakPolarHBondContact O-CB 3.08Å; Q895-Y899 PolarHBondContact O-N 3.44Å; E896-Y899 PolarHBondContact O-N 3.17Å; Y899-A901 VanDerWaalsContact C-N 3.34Å; Y899-A901 PolarHBondContact O-N 2.9Å; Y899-E902 PolarHBondContact O-N 3.38Å; Y899-L903 HydrophobicContact CE1-CD1 3.82Å; Y899-L903 VanDerWaalsContact O-CB 3.3Å; Y899-L903 WeakPolarHBondContact O-CB 3.47Å; Y899-L903 PolarHBondContact O-N 3.12Å
900	E	78.8	Confident	78.2	Confident	76 Å²	76	94.3 Å²	94.3	36%	0.355	43%	0.433	S	S	.	.	H	α-helix	trans	-57.3	-45	173.3	-75.4	-165.6	134.4	0	0	112	K158 E896 L903 E904	K158-E900 IonicContact NZ-OE1 2.83Å; K158-E900 PolarHBondContact NZ-OE1 3.29Å; K158-E900 IonicContact NZ-OE2 3.64Å; K158-E900 PolarHBondContact NZ-OE2 2.89Å; E896-E900 PolarHBondContact O-N 2.7Å; E900-L903 PolarHBondContact O-N 2.54Å; E900-E904 PolarHBondContact O-N 3.35Å
901	A	73.2	Confident	78.6	Confident	45 Å²	45	97 Å²	97	37%	0.372	45%	0.448	S	S	.	.	H	α-helix	trans	-68.4	-36.5	-177.7	0	0	0	0	0	113.2	M897 M898 Y899 R905	M897-A901 WeakPolarHBondContact O-CB 3.29Å; M897-A901 PolarHBondContact O-N 2.67Å; M898-A901 PolarHBondContact O-N 3.2Å; Y899-A901 VanDerWaalsContact C-N 3.34Å; Y899-A901 PolarHBondContact O-N 2.9Å; A901-R905 WeakPolarHBondContact O-CB 3.05Å; A901-R905 PolarHBondContact O-N 3.18Å
902	E	77.3	Confident	78.7	Confident	123 Å²	123	96.3 Å²	96.3	58%	0.575	45%	0.447	S	S	*	.	H	α-helix	trans	-67.5	-40.3	172.3	-176.2	166.9	-147	0	0	111.3	M898 Y899 R905 L906	M898-E902 PolarHBondContact O-N 3.32Å; Y899-E902 PolarHBondContact O-N 3.38Å; E902-R905 WeakPolarHBondContact O-CB 3.05Å; E902-R905 PolarHBondContact O-N 2.6Å; E902-L906 HydrophobicContact CG-CD1 4.25Å; E902-L906 WeakPolarHBondContact O-CG 3.48Å; E902-L906 PolarHBondContact O-N 3.01Å
903	L	83.6	Confident	78.7	Confident	71 Å²	71	95.9 Å²	95.9	37%	0.372	45%	0.448	S	S	.	.	H	α-helix	trans	-66.6	-41.5	177.9	-156	158.7	0	0	0	111.5	Y899 E900 R905 L906 Q907	Y899-L903 HydrophobicContact CE1-CD1 3.82Å; Y899-L903 VanDerWaalsContact O-CB 3.3Å; Y899-L903 WeakPolarHBondContact O-CB 3.47Å; Y899-L903 PolarHBondContact O-N 3.12Å; E900-L903 PolarHBondContact O-N 2.54Å; L903-R905 VanDerWaalsContact C-N 3.33Å; L903-R905 PolarHBondContact O-N 2.85Å; L903-L906 PolarHBondContact O-N 2.79Å; L903-Q907 HydrophobicContact CD2-CG 4.26Å; L903-Q907 VanDerWaalsContact CD2-NE2 3.26Å; L903-Q907 WeakPolarHBondContact O-CG 3.42Å; L903-Q907 PolarHBondContact O-N 2.71Å
904	E	80.6	Confident	78.9	Confident	80 Å²	80	100.1 Å²	100.1	37%	0.374	47%	0.465	S	S	.	.	H	α-helix	trans	-59.2	-40.8	169.6	-89	-161.2	-149.3	0	0	112.7	E900 Q907 K908	E900-E904 PolarHBondContact O-N 3.35Å; E904-Q907 PolarHBondContact O-N 3.37Å; E904-K908 WeakPolarHBondContact O-CG 3.22Å; E904-K908 PolarHBondContact O-N 3.15Å; E904-K908 IonicContact OE2-NZ 3.94Å; E904-K908 PolarHBondContact OE2-NZ 3.05Å
905	R	78.9	Confident	79	Confident	162 Å²	162	105 Å²	105	61%	0.611	48%	0.484	S	S	*	.	H	α-helix	trans	-63.9	-46.9	177.1	179	-177.5	168.2	178.8	-4.8	110.8	A901 E902 L903 Q907 K908 E909	A901-R905 WeakPolarHBondContact O-CB 3.05Å; A901-R905 PolarHBondContact O-N 3.18Å; E902-R905 WeakPolarHBondContact O-CB 3.05Å; E902-R905 PolarHBondContact O-N 2.6Å; L903-R905 VanDerWaalsContact C-N 3.33Å; L903-R905 PolarHBondContact O-N 2.85Å; R905-Q907 VanDerWaalsContact C-N 3.26Å; R905-Q907 PolarHBondContact O-N 3.09Å; R905-K908 PolarHBondContact O-N 2.97Å; R905-K908 VanDerWaalsContact O-N 3.16Å; R905-E909 IonicContact CZ-OE1 2.66Å; R905-E909 VanDerWaalsContact CZ-OE1 3.29Å; R905-E909 IonicContact NE-OE1 2.67Å; R905-E909 PolarHBondContact NE-OE1 3.1Å; R905-E909 IonicContact NH2-OE1 2.68Å; R905-E909 PolarHBondContact NH2-OE1 2.92Å; R905-E909 WeakPolarHBondContact O-CG 3.22Å; R905-E909 PolarHBondContact O-N 2.76Å
906	L	82.1	Confident	78.8	Confident	90 Å²	90	106.6 Å²	106.6	47%	0.471	49%	0.489	S	S	.	.	H	α-helix	trans	-63.8	-29.5	176.7	-69.4	169.5	0	0	0	112.7	E902 L903 K910	E902-L906 HydrophobicContact CG-CD1 4.25Å; E902-L906 WeakPolarHBondContact O-CG 3.48Å; E902-L906 PolarHBondContact O-N 3.01Å; L903-L906 PolarHBondContact O-N 2.79Å; L906-K910 WeakPolarHBondContact O-CB 3.5Å; L906-K910 VanDerWaalsContact O-CG 3.28Å; L906-K910 WeakPolarHBondContact O-CG 3.3Å; L906-K910 PolarHBondContact O-N 2.97Å; L906-K910 VanDerWaalsContact O-N 3.17Å
907	Q	86.1	Confident	78.1	Confident	104 Å²	104	107.7 Å²	107.7	49%	0.486	50%	0.498	S	S	.	.	H	α-helix	trans	-68.7	-48.5	169.8	-74	175.9	1.6	0	0	111.7	L903 E904 R905 E909 K910 D911	L903-Q907 HydrophobicContact CD2-CG 4.26Å; L903-Q907 VanDerWaalsContact CD2-NE2 3.26Å; L903-Q907 WeakPolarHBondContact O-CG 3.42Å; L903-Q907 PolarHBondContact O-N 2.71Å; E904-Q907 PolarHBondContact O-N 3.37Å; R905-Q907 VanDerWaalsContact C-N 3.26Å; R905-Q907 PolarHBondContact O-N 3.09Å; Q907-E909 PolarHBondContact O-N 3.03Å; Q907-K910 WeakPolarHBondContact O-CB 3.49Å; Q907-K910 PolarHBondContact O-N 2.98Å; Q907-K910 VanDerWaalsContact O-N 3.11Å; Q907-D911 PolarHBondContact O-N 3.13Å
908	K	83.4	Confident	77.7	Confident	116 Å²	116	114.6 Å²	114.6	50%	0.504	52%	0.521	S	S	.	.	H	α-helix	trans	-59.3	-45.5	177.5	-71.3	161.4	-169.8	157.7	0	111.5	E904 R905 K910 D911 E912	E904-K908 WeakPolarHBondContact O-CG 3.22Å; E904-K908 PolarHBondContact O-N 3.15Å; E904-K908 IonicContact OE2-NZ 3.94Å; E904-K908 PolarHBondContact OE2-NZ 3.05Å; R905-K908 PolarHBondContact O-N 2.97Å; R905-K908 VanDerWaalsContact O-N 3.16Å; K908-K910 VanDerWaalsContact C-N 3.31Å; K908-K910 PolarHBondContact O-N 3.44Å; K908-D911 PolarHBondContact O-N 2.99Å; K908-E912 WeakPolarHBondContact O-CB 3.38Å; K908-E912 WeakPolarHBondContact O-CG 3.35Å; K908-E912 PolarHBondContact O-N 3.2Å
909	E	83.7	Confident	77.2	Confident	74 Å²	74	111.7 Å²	111.7	35%	0.346	51%	0.514	S	S	.	.	H	α-helix	trans	-63.8	-32.3	175.6	-70.2	-179.2	-168.8	0	0	112.8	R905 Q907 K913	R905-E909 IonicContact CZ-OE1 2.66Å; R905-E909 VanDerWaalsContact CZ-OE1 3.29Å; R905-E909 IonicContact NE-OE1 2.67Å; R905-E909 PolarHBondContact NE-OE1 3.1Å; R905-E909 IonicContact NH2-OE1 2.68Å; R905-E909 PolarHBondContact NH2-OE1 2.92Å; R905-E909 WeakPolarHBondContact O-CG 3.22Å; R905-E909 PolarHBondContact O-N 2.76Å; Q907-E909 PolarHBondContact O-N 3.03Å; E909-K913 WeakPolarHBondContact O-CG 3.3Å; E909-K913 PolarHBondContact O-N 3.42Å
910	K	84.1	Confident	76	Confident	139 Å²	139	110.7 Å²	110.7	60%	0.604	52%	0.515	S	S	*	.	H	α-helix	trans	-71.2	-40.9	172.4	-81.3	174.9	178.8	178	0	112.6	L906 Q907 K908 K913 K914	L906-K910 WeakPolarHBondContact O-CB 3.5Å; L906-K910 VanDerWaalsContact O-CG 3.28Å; L906-K910 WeakPolarHBondContact O-CG 3.3Å; L906-K910 PolarHBondContact O-N 2.97Å; L906-K910 VanDerWaalsContact O-N 3.17Å; Q907-K910 WeakPolarHBondContact O-CB 3.49Å; Q907-K910 PolarHBondContact O-N 2.98Å; Q907-K910 VanDerWaalsContact O-N 3.11Å; K908-K910 VanDerWaalsContact C-N 3.31Å; K908-K910 PolarHBondContact O-N 3.44Å; K910-K913 PolarHBondContact O-N 3.18Å; K910-K914 WeakPolarHBondContact O-CG 3.43Å; K910-K914 PolarHBondContact O-N 2.72Å
911	D	82.9	Confident	74.8	Confident	80 Å²	80	115.2 Å²	115.2	43%	0.428	54%	0.536	S	S	.	.	H	α-helix	trans	-78.9	-26.3	-178.1	-71.7	-19.9	0	0	0	112.7	Q907 K908 K914 K915	Q907-D911 PolarHBondContact O-N 3.13Å; K908-D911 PolarHBondContact O-N 2.99Å; D911-K914 WeakPolarHBondContact OD1-CD 3.31Å; D911-K914 WeakPolarHBondContact OD1-CE 3.46Å; D911-K914 IonicContact OD1-NZ 2.7Å; D911-K914 PolarHBondContact OD1-NZ 3.26Å; D911-K915 WeakPolarHBondContact O-CB 3.46Å; D911-K915 WeakPolarHBondContact O-CG 3.4Å; D911-K915 PolarHBondContact O-N 3.21Å
912	E	82.3	Confident	73.8	Confident	127 Å²	127	121.5 Å²	121.5	59%	0.593	56%	0.555	S	S	*	*	H	α-helix	trans	-66.3	-41.1	165	-76.8	-172.5	-178.4	0	0	112.3	K908 K915 K916	K908-E912 WeakPolarHBondContact O-CB 3.38Å; K908-E912 WeakPolarHBondContact O-CG 3.35Å; K908-E912 PolarHBondContact O-N 3.2Å; E912-K915 PolarHBondContact O-N 3.47Å; E912-K916 PolarHBondContact O-N 2.84Å
913	K	79.4	Confident	72.4	Confident	136 Å²	136	122 Å²	122	59%	0.591	56%	0.557	S	S	*	*	H	α-helix	trans	-59.1	-53.9	171.5	-76.7	174.6	179.9	179.3	0	110.9	E909 K910 K915 K916 D917	E909-K913 WeakPolarHBondContact O-CG 3.3Å; E909-K913 PolarHBondContact O-N 3.42Å; K910-K913 PolarHBondContact O-N 3.18Å; K913-K915 PolarHBondContact O-N 3.44Å; K913-K915 VanDerWaalsContact O-N 3.09Å; K913-K916 WeakPolarHBondContact O-CA 3.49Å; K913-K916 WeakPolarHBondContact O-CB 3.28Å; K913-K916 PolarHBondContact O-N 2.82Å; K913-D917 PolarHBondContact O-N 2.76Å; K913-D917 VanDerWaalsContact O-OD2 3.1Å
914	K	77.9	Confident	70.7	Confident	118 Å²	118	129.7 Å²	129.7	51%	0.513	58%	0.581	S	S	.	*	H	α-helix	trans	-54.2	-33.3	174.5	-68.4	174.3	-164.3	158.7	0	113.6	K910 D911 R918	K910-K914 WeakPolarHBondContact O-CG 3.43Å; K910-K914 PolarHBondContact O-N 2.72Å; D911-K914 WeakPolarHBondContact OD1-CD 3.31Å; D911-K914 WeakPolarHBondContact OD1-CE 3.46Å; D911-K914 IonicContact OD1-NZ 2.7Å; D911-K914 PolarHBondContact OD1-NZ 3.26Å; K914-R918 VanDerWaalsContact O-CB 3.28Å; K914-R918 WeakPolarHBondContact O-CB 3.4Å; K914-R918 VanDerWaalsContact O-CG 3.24Å; K914-R918 WeakPolarHBondContact O-CG 3.15Å; K914-R918 PolarHBondContact O-N 3.15Å
915	K	74	Confident	69.3	Low	159 Å²	159	135.3 Å²	135.3	69%	0.691	63%	0.625	S	S	*	*	H	α-helix	trans	-70.7	-39.9	174.6	-83.9	179.4	176.5	179.1	0	112.4	D911 E912 K913 A919	D911-K915 WeakPolarHBondContact O-CB 3.46Å; D911-K915 WeakPolarHBondContact O-CG 3.4Å; D911-K915 PolarHBondContact O-N 3.21Å; E912-K915 PolarHBondContact O-N 3.47Å; K913-K915 PolarHBondContact O-N 3.44Å; K913-K915 VanDerWaalsContact O-N 3.09Å; K915-A919 WeakPolarHBondContact O-CB 3.38Å; K915-A919 PolarHBondContact O-N 3.4Å
916	K	71.1	Confident	68.8	Low	150 Å²	150	134 Å²	134	65%	0.652	63%	0.625	S	S	*	*	H	α-helix	trans	-66.4	-44.4	173.3	-72.1	-174.9	176.5	-175.9	0	111.7	E912 K913 R918 A919 H920	E912-K916 PolarHBondContact O-N 2.84Å; K913-K916 WeakPolarHBondContact O-CA 3.49Å; K913-K916 WeakPolarHBondContact O-CB 3.28Å; K913-K916 PolarHBondContact O-N 2.82Å; K916-R918 VanDerWaalsContact C-N 3.31Å; K916-R918 PolarHBondContact O-N 2.95Å; K916-A919 WeakPolarHBondContact O-CA 3.32Å; K916-A919 WeakPolarHBondContact O-CB 3.4Å; K916-A919 PolarHBondContact O-N 2.89Å; K916-H920 PolarHBondContact O-N 3.48Å
917	D	65.4	Low	68.1	Low	92 Å²	92	136.3 Å²	136.3	49%	0.492	63%	0.633	S	S	.	*	H	α-helix	trans	-59.3	-43.7	176.6	-51.8	-30.8	0	0	0	110.6	K913 A919 H921	K913-D917 PolarHBondContact O-N 2.76Å; K913-D917 VanDerWaalsContact O-OD2 3.1Å; D917-A919 VanDerWaalsContact C-N 3.27Å; D917-A919 PolarHBondContact O-N 3.09Å; D917-H921 PolarHBondContact O-CD2 3.35Å; D917-H921 PolarHBondContact O-N 2.71Å; D917-H921 VanDerWaalsContact O-N 3.12Å
918	R	61.3	Low	67.1	Low	198 Å²	198	138.1 Å²	138.1	75%	0.747	64%	0.642	S	S	*	*	H	α-helix	trans	-70.6	-14.1	173.6	-75.7	177.9	172.1	-165.2	-2.8	115	K914 K916	K914-R918 VanDerWaalsContact O-CB 3.28Å; K914-R918 WeakPolarHBondContact O-CB 3.4Å; K914-R918 VanDerWaalsContact O-CG 3.24Å; K914-R918 WeakPolarHBondContact O-CG 3.15Å; K914-R918 PolarHBondContact O-N 3.15Å; K916-R918 VanDerWaalsContact C-N 3.31Å; K916-R918 PolarHBondContact O-N 2.95Å
919	A	56.7	Low	66.2	Low	50 Å²	50	139.4 Å²	139.4	41%	0.413	65%	0.65	S	S	.	*	H	α-helix	trans	-84.2	-48.1	173	0	0	0	0	0	110.5	K915 K916 D917 H921 K922	K915-A919 WeakPolarHBondContact O-CB 3.38Å; K915-A919 PolarHBondContact O-N 3.4Å; K916-A919 WeakPolarHBondContact O-CA 3.32Å; K916-A919 WeakPolarHBondContact O-CB 3.4Å; K916-A919 PolarHBondContact O-N 2.89Å; D917-A919 VanDerWaalsContact C-N 3.27Å; D917-A919 PolarHBondContact O-N 3.09Å; A919-H921 VanDerWaalsContact C-N 3.28Å; A919-H921 PolarHBondContact O-N 3.19Å; A919-K922 WeakPolarHBondContact O-CA 3.41Å; A919-K922 WeakPolarHBondContact O-CB 3.41Å; A919-K922 PolarHBondContact O-N 3.13Å
920	H	54.1	Low	65.1	Low	135 Å²	135	143.4 Å²	143.4	63%	0.625	67%	0.669	S	S	*	*	H	α-helix	trans	-60.6	-35.6	174.4	-83.3	-23.5	0	0	0	112.8	K916 K922 E923	K916-H920 PolarHBondContact O-N 3.48Å; H920-K922 PolarHBondContact O-N 3.47Å; H920-E923 IonicContact CE1-OE2 2.91Å; H920-E923 IonicContact CG-OE2 2.73Å; H920-E923 IonicContact ND1-OE2 3.85Å; H920-E923 PolarHBondContact ND1-OE2 3.13Å; H920-E923 PolarHBondContact O-N 3.24Å; H920-E923 VanDerWaalsContact O-N 3.15Å
921	H	53.5	Low	63.8	Low	170 Å²	170	143.7 Å²	143.7	79%	0.787	67%	0.673	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.1	12.2	170.4	-75.2	-58.2	0	0	0	115	D917 A919	D917-H921 PolarHBondContact O-CD2 3.35Å; D917-H921 PolarHBondContact O-N 2.71Å; D917-H921 VanDerWaalsContact O-N 3.12Å; A919-H921 VanDerWaalsContact C-N 3.28Å; A919-H921 PolarHBondContact O-N 3.19Å
922	K	52.6	Low	62.4	Low	178 Å²	178	148.3 Å²	148.3	77%	0.774	69%	0.69	S	S	*	*	T	Hydrogen-bonded Turn	trans	-126.1	4.8	170.2	-72.8	-168.5	167.7	-161.5	0	114.1	A919 H920	A919-K922 WeakPolarHBondContact O-CA 3.41Å; A919-K922 WeakPolarHBondContact O-CB 3.41Å; A919-K922 PolarHBondContact O-N 3.13Å; H920-K922 PolarHBondContact O-N 3.47Å
923	E	47.6	Very low	60.9	Low	133 Å²	133	149.9 Å²	149.9	62%	0.621	70%	0.698	S	S	*	*	S	Bend	trans	-105.5	7.1	-177.5	-68.9	178	134.9	0	0	113.4	H920	H920-E923 IonicContact CE1-OE2 2.91Å; H920-E923 IonicContact CG-OE2 2.73Å; H920-E923 IonicContact ND1-OE2 3.85Å; H920-E923 PolarHBondContact ND1-OE2 3.13Å; H920-E923 PolarHBondContact O-N 3.24Å; H920-E923 VanDerWaalsContact O-N 3.15Å
924	W	47.3	Very low	59.4	Low	232 Å²	232	151.1 Å²	151.1	88%	0.879	71%	0.707	S	S	*	*			trans	-119.1	137.9	167.7	-78.4	60.8	0	0	0	109.1
925	P	51.1	Low	57.7	Low	198 Å²	198	154.1 Å²	154.1	100%	1.286	72%	0.724	S	S	*	*			trans	-77.4	0	-171.8	32.9	-36.9	0	0	0	114.1

Retrieved 925 of 925 residues in 1973.7 ms (Link to these results)

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