A0A096NIB6_PAPAN Loading...

Retinoblastoma-like protein 2

Key regulator of entry into cell division. Directly involved in heterochromatin formation by maintaining overall chromatin structure and, in particular, that of constitutive heterochromatin by stabilizing histone methylation. Recruits and targets histone methyltransferases KMT5B and KMT5C, leading to epigenetic transcriptional repression. Controls histone H4 'Lys-20' trimethylation. Probably acts as a transcription repressor by recruiting chromatin-modifying enzymes to promoters. Potent inhibitor of E2F-mediated trans-activation, associates preferentially with E2F5. Binds to cyclins A and E. Binds to and may be involved in the transforming capacity of the adenovirus E1A protein. May act as a tumor suppressor.

AlphaFold DB , UniProt , Accession A0A096NIB6, Species PAPAN (Papio anubis, Olive baboon), Gene RBL2, Length 1,140 aa.

						>A0A096NIB6_PAPAN|A0A096NIB6|RBL2
MPSGGDQSPPPPPPPPAAAASDEEEEDDGEAEDAAPPNESPTPQIQQRFDELCSRLNMDEAARAEAWDSYRSMSESYTLEGNDLHWLACALYVACRKSVPTVSKGTVEGNYVSLTRILKCSEQSLIEFFNKMKKWEDMANLPPHFRERTERLERNFTVSAVIFKKYEPIFQDIFKYPQEEQPRQQRARKQRRQPCTVSEIFHFCWVLFIYAKGNFPMISDDLVNSYHLLLCALDLVYGNALQCSNRKELVNSNFKGLSEDFHAKDSKPSSDPPCIIEKLCSLHDGLVLEAKGIKEHFWKPYIRKLYEKKLLKGKEENLTGFLEPGNFGESFKAINKAYEEYVLSVGNLDERIFLGEDAEEEIGTLSRCLNAGSGTETAERVQMKNILQQHFDKSKALRISTPLTGVRYIKENSPCVTPVSTATHSLSRLHTMLTGLRNAPSEKLEQILRTCSRDPTQAIANRLKEMFEIYSQHFQPDEDFSNCAKEIASKHFRFAEMLYYKVLECVIEQEQKRLGDMDLSGILEQDAFHRSLLACCLEVVTFSYKPPGNFPFITEIFEVPLYHFYKVIEVFIRAEDGLCREVVKHLNQIEEQILDHLAWKPESPLWEKIRDNENRVPTCEEVMPPQNLERADEICIAGSPLTPRRVTEVRADTGGLGRSITSPTTLYDRYSSPPASTTRRRLFVENDSPSDGGTPGRMPPQPLVNAVPVQNVSGEPVSVTPVPGQTLVTMATATVTANNGQTVTIPVQGIANENGGITFFPVQVNVGGQAQAVTGSIQPLSAQALAGSLSSQQMTGTTLQVPGQVAIQQISPGGQQQKQGQSVTSSSNRPRKTSSLSLFFRKVYHLAAVRLRDLCAKLDISDDLRKKIWTCFEFSIIQCPELMMDRHLDQLLMCAIYVMAKVTKEDKSFQNIMRCYRTQPQARSQVYRSVLIKGKRKRRNSGSSDSRSHQNSPTELNKDRTSRDSSPVMRSSSTLPVPQPSSAPPTPTRLTGANSDMEEEERGDLIQFYNNIYIKQIKTFAMKYSQANVMDAPPLSPYPFVRTGSPRRIQLSQNHPVYISPHKNETMLSPREKIFYYFSNSPSKRLREINSMIRTGETPTKKRGILLEDGSESPAKRICPENHSALLRRLQDVANDRGSH
					

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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	30.8	Very low	46.4	Very low	229 Å²	229	125.5 Å²	125.5	100%	1.128	81%	0.809	S	S	*	*				0	121.2	0	-83.5	-67	-161.8	0	0	108.4
2	P	60.3	Low	47.2	Very low	117 Å²	117	124.7 Å²	124.7	76%	0.76	80%	0.804	S	S	*	*			cis	-91.3	174.1	-33.2	0.6	22.9	0	0	0	110.2
3	S	45.1	Very low	46.5	Very low	121 Å²	121	124.6 Å²	124.6	85%	0.846	80%	0.804	S	S	*	*			cis	79.7	144.1	30.7	-41.6	0	0	0	0	113.8
4	G	44.8	Very low	47.1	Very low	80 Å²	80	124.2 Å²	124.2	83%	0.825	80%	0.802	S	S	*	*			cis	-140.1	-175.1	-4.9	0	0	0	0	0	110.2
5	G	45.8	Very low	47.5	Very low	80 Å²	80	123.7 Å²	123.7	83%	0.825	80%	0.799	S	S	*	*				94.7	144.8	52.5	0	0	0	0	0	110.2
6	D	45.8	Very low	47	Very low	142 Å²	142	124.3 Å²	124.3	76%	0.759	80%	0.802	S	S	*	*			cis	-166.8	-166.8	-5.7	-157.7	16.6	0	0	0	106.9
7	Q	43.8	Very low	45.9	Very low	150 Å²	150	122.8 Å²	122.8	70%	0.701	80%	0.803	S	S	*	*			cis	-166.1	126	6.7	-171.7	167.3	100.9	0	0	112.9
8	S	38.5	Very low	45.1	Very low	107 Å²	107	121.5 Å²	121.5	75%	0.748	81%	0.805	S	S	*	*			trans	57.6	175.3	148.7	-54.9	0	0	0	0	122.1
9	P	57	Low	44.1	Very low	121 Å²	121	120.7 Å²	120.7	79%	0.786	81%	0.809	S	S	*	*			cis	-114.5	-141.7	-11.1	41.3	-24	0	0	0	110.7
10	P	45.9	Very low	43.4	Very low	116 Å²	116	119.7 Å²	119.7	75%	0.753	81%	0.809	S	S	*	*			cis	-131.8	-172.9	-16.3	40.7	-20.7	0	0	0	116.1
11	P	52	Low	43	Very low	118 Å²	118	118.6 Å²	118.6	77%	0.766	80%	0.803	S	S	*	*			trans	-124.8	-168.4	-173.5	44.3	-31.9	0	0	0	115.4
12	P	56.7	Low	43	Very low	115 Å²	115	114.7 Å²	114.7	75%	0.747	79%	0.787	S	S	*	*			cis	-122.6	164.4	-36.4	35.5	-20.6	0	0	0	113.8
13	P	37.7	Very low	41.5	Very low	124 Å²	124	117.2 Å²	117.2	81%	0.805	79%	0.789	S	S	*	*				-153.4	173.7	107.4	36.8	-17.1	0	0	0	117.2
14	P	54.5	Low	40.8	Very low	119 Å²	119	119.3 Å²	119.3	77%	0.773	79%	0.785	S	S	*	*			trans	-111.8	-172.4	177.6	44	-35.4	0	0	0	113.6
15	P	52.9	Low	40	Very low	117 Å²	117	123.8 Å²	123.8	76%	0.76	78%	0.784	S	S	*	*			cis	-127	172	-16.3	39.8	-24.5	0	0	0	114.3
16	P	39.5	Very low	39.4	Very low	132 Å²	132	128.9 Å²	128.9	86%	0.857	79%	0.787	S	S	*	*				-148.1	-178.6	112.8	39.5	-24	0	0	0	115
17	A	28.8	Very low	38.5	Very low	99 Å²	99	130 Å²	130	82%	0.818	79%	0.793	S	S	*	*			trans	-118.4	175.4	175.2	0	0	0	0	0	110.4
18	A	31.1	Very low	38.1	Very low	100 Å²	100	130.7 Å²	130.7	83%	0.826	80%	0.801	S	S	*	*			cis	-148.5	149.2	0.1	0	0	0	0	0	109.9
19	A	26.8	Very low	37.6	Very low	107 Å²	107	129 Å²	129	88%	0.884	80%	0.801	S	S	*	*			trans	-147.8	137.4	161.2	0	0	0	0	0	108.1
20	A	30.8	Very low	36.7	Very low	99 Å²	99	133.2 Å²	133.2	82%	0.818	81%	0.81	S	S	*	*			trans	-133.4	122.2	175.3	0	0	0	0	0	108.6
21	S	35	Very low	35.9	Very low	98 Å²	98	132.4 Å²	132.4	69%	0.685	81%	0.813	S	S	*	*			trans	-70.8	168	147	49.1	0	0	0	0	109.1
22	D	29.7	Very low	35	Very low	147 Å²	147	136 Å²	136	79%	0.786	82%	0.82	S	S	*	*				-170.1	-165.5	109	-82.7	-8	0	0	0	108
23	E	29.4	Very low	33.6	Very low	170 Å²	170	138.4 Å²	138.4	79%	0.794	83%	0.826	S	S	*	*			trans	-107.5	164.9	-143.3	-62.5	170.8	135.6	0	0	116.1
24	E	29.1	Very low	33.3	Very low	164 Å²	164	136.7 Å²	136.7	77%	0.766	82%	0.823	S	S	*	*			trans	71	119.3	149.6	-74.5	170.3	-177.4	0	0	124.1
25	E	28.6	Very low	32.2	Very low	174 Å²	174	135.2 Å²	135.2	81%	0.813	82%	0.82	S	S	*	*			trans	69.5	142.4	134.2	-60.3	-163.3	151	0	0	125.8
26	E	33.5	Very low	31.3	Very low	188 Å²	188	135.2 Å²	135.2	88%	0.879	82%	0.821	S	S	*	*			trans	44.8	112.4	161	-63.5	-169.5	158.7	0	0	123.1
27	D	26.2	Very low	31.2	Very low	165 Å²	165	134.5 Å²	134.5	88%	0.882	82%	0.816	S	S	*	*				-156.7	157.8	120.1	-160.2	6.7	0	0	0	110.7
28	D	35.7	Very low	31.9	Very low	164 Å²	164	136.2 Å²	136.2	88%	0.877	81%	0.811	S	S	*	*			trans	-85	145.6	-177.2	-98.2	-42.8	0	0	0	113.3
29	G	27.7	Very low	32.4	Very low	72 Å²	72	139.6 Å²	139.6	74%	0.742	81%	0.81	S	S	*	*			trans	-171.2	100.1	175.7	0	0	0	0	0	116	A31	G29-A31 PolarHBondContact O-N 3.39Å
30	E	39.8	Very low	33.6	Very low	209 Å²	209	139.2 Å²	139.2	98%	0.977	80%	0.801	S	S	*	*			trans	-67.6	126.9	169.6	-65	-174.9	125.4	0	0	111.4
31	A	29.3	Very low	34.9	Very low	99 Å²	99	136.3 Å²	136.3	82%	0.818	77%	0.774	S	S	*	*			trans	-139.6	144.2	169.6	0	0	0	0	0	110.6	G29	G29-A31 PolarHBondContact O-N 3.39Å
32	E	31.5	Very low	36.6	Very low	194 Å²	194	134.2 Å²	134.2	91%	0.907	76%	0.757	S	S	*	*			trans	-74.6	133.7	-166	-60.5	178.7	114.6	0	0	113.7	A34	E32-A34 PolarHBondContact O-N 3.03Å
33	D	27.3	Very low	38.7	Very low	165 Å²	165	132.4 Å²	132.4	88%	0.882	75%	0.753	S	S	*	*			trans	-71.9	85.6	175.2	-175.6	18	0	0	0	111.5	A35	D33-A35 PolarHBondContact O-N 3.23Å
34	A	32	Very low	41.3	Very low	88 Å²	88	130.9 Å²	130.9	73%	0.727	75%	0.746	S	S	*	*			trans	-83.4	102.1	177.2	0	0	0	0	0	110.9	E32	E32-A34 PolarHBondContact O-N 3.03Å
35	A	31.5	Very low	44	Very low	88 Å²	88	124.4 Å²	124.4	73%	0.727	72%	0.716	S	S	*	*	P	Polyproline II helix	trans	-53	136.5	-176.9	0	0	0	0	0	113.8	D33	D33-A35 PolarHBondContact O-N 3.23Å
36	P	34.4	Very low	46.8	Very low	118 Å²	118	120.3 Å²	120.3	77%	0.766	70%	0.697	S	S	*	*	P	Polyproline II helix	trans	-71.3	151.9	-177.4	29.2	-35.5	0	0	0	112.9
37	P	38	Very low	49.5	Very low	117 Å²	117	117 Å²	117	76%	0.76	68%	0.682	S	S	*	*	P	Polyproline II helix	trans	-75.5	156.4	178.7	32.2	-35.7	0	0	0	112.8	E39	P37-E39 PolarHBondContact O-N 2.75Å
38	N	43.5	Very low	52.6	Low	134 Å²	134	115.9 Å²	115.9	72%	0.717	67%	0.665	S	S	*	*			trans	-40.6	119.4	-175.2	-63.4	4.1	0	0	0	114.8
39	E	40.7	Very low	55.3	Low	172 Å²	172	108.1 Å²	108.1	80%	0.804	62%	0.624	S	S	*	*	P	Polyproline II helix	trans	-73.4	151.3	166.1	-63.1	-169.1	136.9	0	0	111.6	P37	P37-E39 PolarHBondContact O-N 2.75Å
40	S	52.3	Low	58.3	Low	99 Å²	99	107.4 Å²	107.4	69%	0.692	60%	0.603	S	S	*	*	P	Polyproline II helix	trans	-74.1	153.3	164.6	49.4	0	0	0	0	110.6	T42	S40-T42 PolarHBondContact O-N 3.15Å; S40-T42 VanDerWaalsContact O-N 3.12Å
41	P	58.5	Low	60.7	Low	38 Å²	38	102.1 Å²	102.1	25%	0.247	58%	0.578	C	S	.	*	P	Polyproline II helix	trans	-58.9	120.8	-178.2	23	-33.9	0	0	0	111	R71	P41-R71 HydrophobicContact CG-CG 4.28Å
42	T	70.1	Confident	63.7	Low	54 Å²	54	97.6 Å²	97.6	33%	0.331	54%	0.54	S	S	.	.	P	Polyproline II helix	trans	-64.8	147.3	-172.8	60.3	0	0	0	0	111.6	S40 Q44 I45	S40-T42 PolarHBondContact O-N 3.15Å; S40-T42 VanDerWaalsContact O-N 3.12Å; T42-Q44 PolarHBondContact O-N 3.18Å; T42-I45 WeakPolarHBondContact O-CB 3.37Å; T42-I45 PolarHBondContact O-N 2.91Å
43	P	73.9	Confident	66.5	Low	109 Å²	109	88.4 Å²	88.4	71%	0.708	50%	0.497	S	S	*	.	H	α-helix	trans	-61	-21.8	-174.3	21.9	-33.4	0	0	0	113.9	I45 Q46 Q47	P43-I45 VanDerWaalsContact C-N 3.35Å; P43-Q46 PolarHBondContact O-N 2.99Å; P43-Q47 PolarHBondContact O-N 3.13Å; P43-Q47 VanDerWaalsContact O-N 3.1Å
44	Q	83.2	Confident	69.4	Low	138 Å²	138	84.5 Å²	84.5	65%	0.645	48%	0.483	S	S	*	.	H	α-helix	trans	-66.5	-33.5	173.6	-61.4	-176.4	8.7	0	0	112.8	T42 R48	T42-Q44 PolarHBondContact O-N 3.18Å; Q44-R48 WeakPolarHBondContact O-CG 3.31Å; Q44-R48 PolarHBondContact O-N 3.35Å
45	I	86.6	Confident	72.1	Confident	27 Å²	27	86.4 Å²	86.4	14%	0.138	47%	0.471	C	S	.	.	H	α-helix	trans	-67.9	-42	176	-62.4	168.8	0	0	0	109.6	T42 P43 R48 F49 W67 Y70 D83 L87	T42-I45 WeakPolarHBondContact O-CB 3.37Å; T42-I45 PolarHBondContact O-N 2.91Å; P43-I45 VanDerWaalsContact C-N 3.35Å; I45-R48 PolarHBondContact O-N 2.97Å; I45-F49 PolarHBondContact O-N 3.05Å; I45-W67 HydrophobicContact CG2-CH2 4.19Å; I45-W67 HydrophobicContact CG2-CZ3 4.24Å; I45-Y70 HydrophobicContact CG2-CE1 4.46Å; I45-D83 HydrophobicContact CD1-CB 4.37Å; I45-D83 HydrophobicContact CG1-CB 4.46Å; I45-D83 HydrophobicContact CG2-CB 4.03Å; I45-L87 HydrophobicContact CG2-CD1 3.78Å
46	Q	88.2	Confident	74.8	Confident	88 Å²	88	82.3 Å²	82.3	41%	0.411	44%	0.437	S	S	.	.	H	α-helix	trans	-63.5	-46.6	177.9	-169.5	172.2	-24.8	0	0	111.8	P43 R48 F49 D50 W67	P43-Q46 PolarHBondContact O-N 2.99Å; Q46-R48 VanDerWaalsContact C-N 3.33Å; Q46-R48 PolarHBondContact O-N 2.93Å; Q46-F49 WeakPolarHBondContact O-CA 3.23Å; Q46-F49 WeakPolarHBondContact O-CB 3.33Å; Q46-F49 PolarHBondContact O-N 3.44Å; Q46-D50 PolarHBondContact O-N 3.45Å; Q46-W67 HydrophobicContact CB-CH2 3.61Å; Q46-W67 HydrophobicContact CB-CZ2 3.53Å; Q46-W67 HydrophobicContact CG-CH2 4Å; Q46-W67 HydrophobicContact CG-CZ2 3.57Å
47	Q	90	Very high	77.2	Confident	120 Å²	120	83.3 Å²	83.3	56%	0.561	44%	0.436	S	S	*	.	H	α-helix	trans	-56.4	-47	177.2	-174	-170.7	-31.6	0	0	111.7	P43 F49 D50 E51	P43-Q47 PolarHBondContact O-N 3.13Å; P43-Q47 VanDerWaalsContact O-N 3.1Å; Q47-F49 VanDerWaalsContact C-N 3.27Å; Q47-F49 PolarHBondContact O-N 2.74Å; Q47-D50 PolarHBondContact O-N 3.16Å; Q47-E51 WeakPolarHBondContact CG-OE1 3.2Å; Q47-E51 PolarHBondContact NE2-OE1 2.95Å; Q47-E51 WeakPolarHBondContact O-CG 3.45Å; Q47-E51 PolarHBondContact O-N 3.17Å
48	R	89.9	Confident	79.5	Confident	141 Å²	141	78.3 Å²	78.3	53%	0.532	40%	0.402	S	S	.	.	H	α-helix	trans	-63.7	-31.9	177.6	-69.8	177.3	174.5	-166.7	-0.5	112.6	Q44 I45 Q46 L52 L84	Q44-R48 WeakPolarHBondContact O-CG 3.31Å; Q44-R48 PolarHBondContact O-N 3.35Å; I45-R48 PolarHBondContact O-N 2.97Å; Q46-R48 VanDerWaalsContact C-N 3.33Å; Q46-R48 PolarHBondContact O-N 2.93Å; R48-L52 WeakPolarHBondContact O-CB 3.49Å; R48-L52 PolarHBondContact O-N 3.04Å; R48-L84 HydrophobicContact CB-CD1 4.3Å; R48-L84 HydrophobicContact CB-CD2 4.03Å; R48-L84 HydrophobicContact CB-CG 4.48Å
49	F	92.6	Very high	81.5	Confident	1 Å²	1	74.4 Å²	74.4	0%	0.004	38%	0.382	C	S	.	.	H	α-helix	trans	-69.9	-40.4	174.1	-179.8	-110.7	0	0	0	112.7	I45 Q46 Q47 L52 C53 R63 A66 W67 L87	I45-F49 PolarHBondContact O-N 3.05Å; Q46-F49 WeakPolarHBondContact O-CA 3.23Å; Q46-F49 WeakPolarHBondContact O-CB 3.33Å; Q46-F49 PolarHBondContact O-N 3.44Å; Q47-F49 VanDerWaalsContact C-N 3.27Å; Q47-F49 PolarHBondContact O-N 2.74Å; F49-L52 WeakPolarHBondContact O-CB 3.48Å; F49-L52 PolarHBondContact O-N 3.05Å; F49-C53 WeakPolarHBondContact CZ-SG 3.38Å; F49-C53 WeakPolarHBondContact O-CB 3.45Å; F49-C53 PolarHBondContact O-N 3.24Å; F49-C53 PolarHBondContact O-SG 3.1Å; F49-R63 HydrophobicContact CE1-CG 3.79Å; F49-R63 HydrophobicContact CZ-CG 4.38Å; F49-A66 HydrophobicContact CE2-CB 4.48Å; F49-A66 HydrophobicContact CZ-CB 3.96Å; F49-W67 HydrophobicContact CB-CE3 4.27Å; F49-W67 HydrophobicContact CB-CZ3 4.07Å; F49-W67 HydrophobicContact CD1-CB 4.44Å; F49-W67 HydrophobicContact CD1-CD2 4.17Å; F49-W67 AromaticContact CD1-CE3 3.61Å; F49-W67 HydrophobicContact CD1-CE3 3.61Å; F49-W67 HydrophobicContact CD1-CZ3 4.26Å; F49-W67 HydrophobicContact CE1-CB 3.85Å; F49-W67 HydrophobicContact CE1-CD2 4.44Å; F49-W67 HydrophobicContact CE1-CE3 4.08Å; F49-W67 HydrophobicContact CE1-CG 4.38Å; F49-W67 AromaticContact CG-CE3 3.92Å; F49-W67 HydrophobicContact CG-CE3 3.92Å; F49-W67 HydrophobicContact CG-CZ3 4.2Å; F49-W67 HydrophobicContact CZ-CB 4.47Å; F49-L87 HydrophobicContact CB-CD1 4.14Å; F49-L87 HydrophobicContact CD2-CB 3.92Å; F49-L87 HydrophobicContact CD2-CD1 4.14Å; F49-L87 HydrophobicContact CD2-CD2 3.7Å; F49-L87 HydrophobicContact CD2-CG 4.14Å; F49-L87 HydrophobicContact CE2-CB 4.26Å; F49-L87 HydrophobicContact CE2-CD2 4Å; F49-L87 HydrophobicContact CG-CD1 4.43Å; F49-L87 HydrophobicContact CG-CD2 4.13Å
50	D	90.7	Very high	83.6	Confident	56 Å²	56	73.7 Å²	73.7	30%	0.299	38%	0.378	S	S	.	.	H	α-helix	trans	-68	-37.7	176.1	-74.3	-41.9	0	0	0	111.8	Q46 Q47 C53 S54	Q46-D50 PolarHBondContact O-N 3.45Å; Q47-D50 PolarHBondContact O-N 3.16Å; D50-C53 PolarHBondContact O-N 2.76Å; D50-S54 WeakPolarHBondContact O-CB 3.16Å; D50-S54 PolarHBondContact O-N 2.92Å; D50-S54 PolarHBondContact O-OG 3.16Å
51	E	91.4	Very high	85.2	Confident	98 Å²	98	72.4 Å²	72.4	46%	0.458	37%	0.374	S	S	.	.	H	α-helix	trans	-61.7	-45.5	170.4	-72.6	171.5	-164	0	0	111.9	Q47 S54 R55	Q47-E51 WeakPolarHBondContact CG-OE1 3.2Å; Q47-E51 PolarHBondContact NE2-OE1 2.95Å; Q47-E51 WeakPolarHBondContact O-CG 3.45Å; Q47-E51 PolarHBondContact O-N 3.17Å; E51-S54 PolarHBondContact O-N 3.22Å; E51-R55 WeakPolarHBondContact O-CG 3.38Å; E51-R55 PolarHBondContact O-N 3.27Å
52	L	90.7	Very high	86.5	Confident	5 Å²	5	70.9 Å²	70.9	3%	0.026	36%	0.364	C	S	.	.	H	α-helix	trans	-58.7	-49.6	173.7	170.7	59.7	0	0	0	111.6	R48 F49 S54 R55 L56 L84 C120	R48-L52 WeakPolarHBondContact O-CB 3.49Å; R48-L52 PolarHBondContact O-N 3.04Å; F49-L52 WeakPolarHBondContact O-CB 3.48Å; F49-L52 PolarHBondContact O-N 3.05Å; L52-S54 PolarHBondContact O-N 2.88Å; L52-R55 PolarHBondContact O-N 3.28Å; L52-L56 HydrophobicContact CD1-CD1 3.7Å; L52-L56 HydrophobicContact CD1-CG 4.19Å; L52-L56 HydrophobicContact CG-CD1 4.14Å; L52-L56 WeakPolarHBondContact O-CG 3.47Å; L52-L56 PolarHBondContact O-N 3.47Å; L52-L84 HydrophobicContact CD2-CD2 4.19Å; L52-C120 HydrophobicContact CD1-CB 3.49Å; L52-C120 VanDerWaalsContact CD1-CB 3.49Å
53	C	90.3	Very high	87.4	Confident	0 Å²	0	71 Å²	71	0%	0	36%	0.358	C	S	.	.	H	α-helix	trans	-63.6	-30.9	178.5	-71.4	0	0	0	0	112.5	F49 D50 N57 M58 R63	F49-C53 WeakPolarHBondContact CZ-SG 3.38Å; F49-C53 WeakPolarHBondContact O-CB 3.45Å; F49-C53 PolarHBondContact O-N 3.24Å; F49-C53 PolarHBondContact O-SG 3.1Å; D50-C53 PolarHBondContact O-N 2.76Å; C53-N57 PolarHBondContact O-N 2.97Å; C53-N57 VanDerWaalsContact O-N 3.12Å; C53-M58 HydrophobicContact CB-CB 4.05Å; C53-M58 HydrophobicContact CB-CG 4.08Å; C53-M58 PolarHBondContact O-N 3.09Å; C53-R63 HydrophobicContact CB-CG 4.3Å
54	S	89.4	Confident	88.2	Confident	83 Å²	83	68 Å²	68	58%	0.58	34%	0.343	S	S	*	.	H	α-helix	trans	-71.8	-45.8	174.4	-59.2	0	0	0	0	111.9	D50 E51 L52 L56 N57	D50-S54 WeakPolarHBondContact O-CB 3.16Å; D50-S54 PolarHBondContact O-N 2.92Å; D50-S54 PolarHBondContact O-OG 3.16Å; E51-S54 PolarHBondContact O-N 3.22Å; L52-S54 PolarHBondContact O-N 2.88Å; S54-L56 PolarHBondContact O-N 3.25Å; S54-N57 PolarHBondContact O-N 3.17Å; S54-N57 VanDerWaalsContact O-N 3.07Å
55	R	89.3	Confident	88.5	Confident	129 Å²	129	65.1 Å²	65.1	49%	0.487	33%	0.329	S	S	.	.	H	α-helix	trans	-58.7	-31.2	173.9	-72.7	172.3	69.5	-172	1.9	112.7	E51 L52 R116 C120	E51-R55 WeakPolarHBondContact O-CG 3.38Å; E51-R55 PolarHBondContact O-N 3.27Å; L52-R55 PolarHBondContact O-N 3.28Å; R55-R116 PolarHBondContact O-NH2 2.77Å; R55-C120 PolarHBondContact NH1-O 2.87Å
56	L	86.5	Confident	88.8	Confident	1 Å²	1	63.8 Å²	63.8	1%	0.005	32%	0.323	C	S	.	.	H	α-helix	trans	-86.3	-15.4	178	-68.1	174.9	0	0	0	114.1	L52 S54 M58 L91 V112 R116 I117 C120	L52-L56 HydrophobicContact CD1-CD1 3.7Å; L52-L56 HydrophobicContact CD1-CG 4.19Å; L52-L56 HydrophobicContact CG-CD1 4.14Å; L52-L56 WeakPolarHBondContact O-CG 3.47Å; L52-L56 PolarHBondContact O-N 3.47Å; S54-L56 PolarHBondContact O-N 3.25Å; L56-M58 HydrophobicContact CB-CG 3.88Å; L56-M58 HydrophobicContact CB-SD 4Å; L56-L91 HydrophobicContact CD1-CD2 3.53Å; L56-V112 HydrophobicContact CD2-CG1 4.09Å; L56-R116 HydrophobicContact CD2-CB 4.42Å; L56-R116 HydrophobicContact CD2-CG 3.75Å; L56-R116 PolarHBondContact O-NH2 2.79Å; L56-I117 HydrophobicContact CD1-CG1 4.27Å; L56-I117 HydrophobicContact CD1-CG2 4.47Å; L56-C120 HydrophobicContact CD2-CB 3.9Å; L56-C120 HydrophobicContact CG-CB 4.11Å
57	N	86.2	Confident	89	Confident	139 Å²	139	60.9 Å²	60.9	74%	0.743	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.3	51.2	-169.5	-166.2	95.1	0	0	0	111.8	C53 S54	C53-N57 PolarHBondContact O-N 2.97Å; C53-N57 VanDerWaalsContact O-N 3.12Å; S54-N57 PolarHBondContact O-N 3.17Å; S54-N57 VanDerWaalsContact O-N 3.07Å
58	M	85	Confident	89.1	Confident	12 Å²	12	59.3 Å²	59.3	6%	0.059	30%	0.303	C	S	.	.			trans	-72.8	142.1	177.2	-65.5	-52.2	-47.4	0	0	112.5	C53 L56 A62 R63 L91 C95 N110 V112	C53-M58 HydrophobicContact CB-CB 4.05Å; C53-M58 HydrophobicContact CB-CG 4.08Å; C53-M58 PolarHBondContact O-N 3.09Å; L56-M58 HydrophobicContact CB-CG 3.88Å; L56-M58 HydrophobicContact CB-SD 4Å; M58-A62 HydrophobicContact CE-CB 3.8Å; M58-R63 PolarHBondContact O-NH2 2.98Å; M58-L91 HydrophobicContact CE-CD1 4.04Å; M58-L91 HydrophobicContact CG-CD1 4.13Å; M58-L91 HydrophobicContact CG-CD2 4.25Å; M58-L91 HydrophobicContact SD-CD1 4.27Å; M58-L91 HydrophobicContact SD-CD2 4.41Å; M58-C95 WeakPolarHBondContact CE-SG 3.09Å; M58-N110 HydrophobicContact CE-CB 4.21Å; M58-N110 WeakPolarHBondContact CE-ND2 3.47Å; M58-V112 HydrophobicContact SD-CG2 3.91Å
59	D	85.1	Confident	89.1	Confident	53 Å²	53	54.1 Å²	54.1	28%	0.283	29%	0.288	S	S	.	.			trans	-66.6	167.4	165.3	71.4	-73.7	0	0	0	111.6	A61 A62 R63 N110	D59-A61 WeakPolarHBondContact OD2-CA 3.48Å; D59-A61 WeakPolarHBondContact OD2-CB 3.42Å; D59-A61 PolarHBondContact OD2-N 3.38Å; D59-A62 VanDerWaalsContact OD1-CB 3.22Å; D59-A62 WeakPolarHBondContact OD1-CB 3.49Å; D59-A62 PolarHBondContact OD2-N 3.07Å; D59-R63 WeakPolarHBondContact O-CB 3.49Å; D59-R63 PolarHBondContact O-N 2.81Å; D59-R63 PolarHBondContact O-NH1 3.05Å; D59-N110 VanDerWaalsContact OD1-CG 3.27Å; D59-N110 PolarHBondContact OD1-ND2 2.97Å; D59-N110 PolarHBondContact OD1-OD1 3.32Å
60	E	85.5	Confident	89.1	Confident	157 Å²	157	54.3 Å²	54.3	73%	0.734	29%	0.289	S	S	*	.	H	α-helix	trans	-75.8	-32.4	-176.1	-165.1	171	-173.8	0	0	113.8	A64	E60-A64 WeakPolarHBondContact O-CB 3.19Å; E60-A64 PolarHBondContact O-N 3.28Å
61	A	85.6	Confident	89	Confident	72 Å²	72	55.3 Å²	55.3	60%	0.595	29%	0.289	S	S	*	.	H	α-helix	trans	-71.5	-46.4	-178.3	0	0	0	0	0	111.4	D59 A64 E65	D59-A61 WeakPolarHBondContact OD2-CA 3.48Å; D59-A61 WeakPolarHBondContact OD2-CB 3.42Å; D59-A61 PolarHBondContact OD2-N 3.38Å; A61-A64 PolarHBondContact O-N 3.34Å; A61-E65 WeakPolarHBondContact O-CB 3.35Å; A61-E65 PolarHBondContact O-N 3.44Å
62	A	86.2	Confident	88.8	Confident	5 Å²	5	53.2 Å²	53.2	4%	0.041	29%	0.285	C	S	.	.	H	α-helix	trans	-69.3	-32	176.5	0	0	0	0	0	112.7	M58 D59 A66 A94 N110	M58-A62 HydrophobicContact CE-CB 3.8Å; D59-A62 VanDerWaalsContact OD1-CB 3.22Å; D59-A62 WeakPolarHBondContact OD1-CB 3.49Å; D59-A62 PolarHBondContact OD2-N 3.07Å; A62-A66 WeakPolarHBondContact O-CB 3.35Å; A62-A66 PolarHBondContact O-N 3.13Å; A62-A66 VanDerWaalsContact O-N 3.07Å; A62-A94 HydrophobicContact CB-CB 4.02Å; A62-N110 WeakPolarHBondContact CB-ND2 3.26Å
63	R	89.5	Confident	88.6	Confident	57 Å²	57	54 Å²	54	22%	0.215	29%	0.289	C	S	.	.	H	α-helix	trans	-60.9	-51.7	170.6	-178.8	-172	-64.9	90.2	11.6	110.7	F49 C53 M58 D59 W67	F49-R63 HydrophobicContact CE1-CG 3.79Å; F49-R63 HydrophobicContact CZ-CG 4.38Å; C53-R63 HydrophobicContact CB-CG 4.3Å; M58-R63 PolarHBondContact O-NH2 2.98Å; D59-R63 WeakPolarHBondContact O-CB 3.49Å; D59-R63 PolarHBondContact O-N 2.81Å; D59-R63 PolarHBondContact O-NH1 3.05Å; R63-W67 WeakPolarHBondContact O-CB 3.42Å; R63-W67 PolarHBondContact O-N 2.93Å; R63-W67 VanDerWaalsContact O-N 3.08Å
64	A	90	Very high	88.3	Confident	46 Å²	46	55.6 Å²	55.6	38%	0.38	30%	0.3	S	S	.	.	H	α-helix	trans	-63.8	-47.3	-179.2	0	0	0	0	0	112	E60 A61 A66 W67 D68	E60-A64 WeakPolarHBondContact O-CB 3.19Å; E60-A64 PolarHBondContact O-N 3.28Å; A61-A64 PolarHBondContact O-N 3.34Å; A64-A66 PolarHBondContact O-N 2.93Å; A64-W67 PolarHBondContact O-N 3.26Å; A64-D68 PolarHBondContact O-N 3.18Å
65	E	89.9	Confident	87.9	Confident	77 Å²	77	57.3 Å²	57.3	36%	0.36	30%	0.299	S	S	.	.	H	α-helix	trans	-61.3	-42.3	179.4	-175.8	177.2	-143.5	0	0	112.2	A61 S69 A94 K97	A61-E65 WeakPolarHBondContact O-CB 3.35Å; A61-E65 PolarHBondContact O-N 3.44Å; E65-S69 WeakPolarHBondContact O-CB 3.15Å; E65-S69 PolarHBondContact O-N 3.48Å; E65-A94 HydrophobicContact CB-CB 4.38Å; E65-K97 VanDerWaalsContact CD-NZ 3.28Å; E65-K97 VanDerWaalsContact OE1-CD 3.27Å; E65-K97 WeakPolarHBondContact OE1-CD 3.44Å; E65-K97 WeakPolarHBondContact OE1-CE 3.49Å; E65-K97 IonicContact OE1-NZ 3.77Å; E65-K97 PolarHBondContact OE1-NZ 3.25Å; E65-K97 WeakPolarHBondContact OE2-CD 3.49Å; E65-K97 IonicContact OE2-NZ 2.71Å
66	A	91.9	Very high	87.1	Confident	0 Å²	0	55 Å²	55	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-65	-38.4	176.5	0	0	0	0	0	112.2	F49 A62 A64 Y70 A90 L91 A94	F49-A66 HydrophobicContact CE2-CB 4.48Å; F49-A66 HydrophobicContact CZ-CB 3.96Å; A62-A66 WeakPolarHBondContact O-CB 3.35Å; A62-A66 PolarHBondContact O-N 3.13Å; A62-A66 VanDerWaalsContact O-N 3.07Å; A64-A66 PolarHBondContact O-N 2.93Å; A66-Y70 WeakPolarHBondContact O-CB 3.11Å; A66-Y70 PolarHBondContact O-N 3.43Å; A66-A90 HydrophobicContact CB-CB 4.21Å; A66-A90 WeakPolarHBondContact O-CB 3.39Å; A66-L91 HydrophobicContact CB-CB 4.2Å; A66-L91 HydrophobicContact CB-CD1 3.97Å; A66-A94 HydrophobicContact CB-CB 4.12Å
67	W	93.3	Very high	86.6	Confident	27 Å²	27	60 Å²	60	10%	0.102	32%	0.322	C	S	.	.	H	α-helix	trans	-70.9	-43.2	178.8	-170.8	-123.8	0	0	0	113	I45 Q46 F49 R63 A64 Y70 R71 L87	I45-W67 HydrophobicContact CG2-CH2 4.19Å; I45-W67 HydrophobicContact CG2-CZ3 4.24Å; Q46-W67 HydrophobicContact CB-CH2 3.61Å; Q46-W67 HydrophobicContact CB-CZ2 3.53Å; Q46-W67 HydrophobicContact CG-CH2 4Å; Q46-W67 HydrophobicContact CG-CZ2 3.57Å; F49-W67 HydrophobicContact CB-CE3 4.27Å; F49-W67 HydrophobicContact CB-CZ3 4.07Å; F49-W67 HydrophobicContact CD1-CB 4.44Å; F49-W67 HydrophobicContact CD1-CD2 4.17Å; F49-W67 AromaticContact CD1-CE3 3.61Å; F49-W67 HydrophobicContact CD1-CE3 3.61Å; F49-W67 HydrophobicContact CD1-CZ3 4.26Å; F49-W67 HydrophobicContact CE1-CB 3.85Å; F49-W67 HydrophobicContact CE1-CD2 4.44Å; F49-W67 HydrophobicContact CE1-CE3 4.08Å; F49-W67 HydrophobicContact CE1-CG 4.38Å; F49-W67 AromaticContact CG-CE3 3.92Å; F49-W67 HydrophobicContact CG-CE3 3.92Å; F49-W67 HydrophobicContact CG-CZ3 4.2Å; F49-W67 HydrophobicContact CZ-CB 4.47Å; R63-W67 WeakPolarHBondContact O-CB 3.42Å; R63-W67 PolarHBondContact O-N 2.93Å; R63-W67 VanDerWaalsContact O-N 3.08Å; A64-W67 PolarHBondContact O-N 3.26Å; W67-Y70 HydrophobicContact CE3-CD1 4.48Å; W67-Y70 HydrophobicContact CZ3-CD1 4.17Å; W67-Y70 WeakPolarHBondContact O-CB 3.33Å; W67-Y70 PolarHBondContact O-N 3.28Å; W67-R71 PolarHBondContact O-N 3.27Å; W67-L87 HydrophobicContact CE3-CD2 3.66Å; W67-L87 HydrophobicContact CZ3-CD1 4.28Å; W67-L87 HydrophobicContact CZ3-CD2 3.72Å
68	D	91.3	Very high	86.3	Confident	86 Å²	86	60 Å²	60	46%	0.46	33%	0.328	S	S	.	.	H	α-helix	trans	-69.8	-39	176.4	-74.9	-20.5	0	0	0	111.7	A64 Y70 R71 S72	A64-D68 PolarHBondContact O-N 3.18Å; D68-Y70 VanDerWaalsContact C-N 3.27Å; D68-Y70 PolarHBondContact O-N 3.02Å; D68-R71 PolarHBondContact O-N 3.06Å; D68-R71 IonicContact OD1-CZ 3.49Å; D68-R71 IonicContact OD1-NH1 2.77Å; D68-R71 PolarHBondContact OD1-NH1 3.4Å; D68-R71 IonicContact OD1-NH2 3.2Å; D68-R71 PolarHBondContact OD1-NH2 3.08Å; D68-S72 PolarHBondContact O-N 3.07Å; D68-S72 VanDerWaalsContact O-N 3.1Å
69	S	90.3	Very high	86.1	Confident	32 Å²	32	60.8 Å²	60.8	22%	0.224	33%	0.331	C	S	.	.	H	α-helix	trans	-62.7	-33.9	170.4	-176.5	0	0	0	0	112	E65 M73	E65-S69 WeakPolarHBondContact O-CB 3.15Å; E65-S69 PolarHBondContact O-N 3.48Å; S69-M73 VanDerWaalsContact O-CG 3.27Å; S69-M73 WeakPolarHBondContact O-CG 3.35Å; S69-M73 PolarHBondContact O-N 3.21Å
70	Y	92.8	Very high	85.7	Confident	5 Å²	5	63.1 Å²	63.1	2%	0.02	34%	0.341	C	S	.	.	H	α-helix	trans	-66.6	-51.9	175.1	-177.3	-106	0	0	0	111.4	I45 A66 W67 D68 S72 M73 S74 L79 D83 W86 L87 W135	I45-Y70 HydrophobicContact CG2-CE1 4.46Å; A66-Y70 WeakPolarHBondContact O-CB 3.11Å; A66-Y70 PolarHBondContact O-N 3.43Å; W67-Y70 HydrophobicContact CE3-CD1 4.48Å; W67-Y70 HydrophobicContact CZ3-CD1 4.17Å; W67-Y70 WeakPolarHBondContact O-CB 3.33Å; W67-Y70 PolarHBondContact O-N 3.28Å; D68-Y70 VanDerWaalsContact C-N 3.27Å; D68-Y70 PolarHBondContact O-N 3.02Å; Y70-S72 PolarHBondContact O-N 2.91Å; Y70-M73 PolarHBondContact O-N 2.83Å; Y70-M73 VanDerWaalsContact O-N 3.14Å; Y70-S74 PolarHBondContact O-N 3.18Å; Y70-S74 PolarHBondContact O-OG 3.03Å; Y70-L79 HydrophobicContact CD2-CD1 4.26Å; Y70-L79 HydrophobicContact CE2-CD1 3.48Å; Y70-L79 VanDerWaalsContact CE2-CD1 3.48Å; Y70-D83 PolarHBondContact OH-OD1 2.9Å; Y70-W86 HydrophobicContact CD2-CB 4.24Å; Y70-W86 HydrophobicContact CE2-CB 3.63Å; Y70-L87 HydrophobicContact CD1-CD2 3.7Å; Y70-L87 HydrophobicContact CD1-CG 4.26Å; Y70-L87 HydrophobicContact CD2-CD2 3.77Å; Y70-L87 HydrophobicContact CD2-CG 3.89Å; Y70-L87 HydrophobicContact CE1-CD2 4.32Å; Y70-L87 HydrophobicContact CE1-CG 4.43Å; Y70-L87 HydrophobicContact CE2-CD2 4.4Å; Y70-L87 HydrophobicContact CE2-CG 4.1Å; Y70-L87 HydrophobicContact CG-CD2 3.39Å; Y70-L87 HydrophobicContact CG-CG 3.99Å; Y70-W135 AromaticContact CD2-CH2 3.89Å; Y70-W135 HydrophobicContact CD2-CH2 3.89Å; Y70-W135 HydrophobicContact CD2-CZ3 4.46Å
71	R	89.7	Confident	85.5	Confident	77 Å²	77	57.8 Å²	57.8	29%	0.291	33%	0.328	S	S	.	.	H	α-helix	trans	-55.5	-51.3	-178.2	-161.3	-173	-49.7	107.8	18.4	111.7	P41 W67 D68 M73 S74 E75	P41-R71 HydrophobicContact CG-CG 4.28Å; W67-R71 PolarHBondContact O-N 3.27Å; D68-R71 PolarHBondContact O-N 3.06Å; D68-R71 IonicContact OD1-CZ 3.49Å; D68-R71 IonicContact OD1-NH1 2.77Å; D68-R71 PolarHBondContact OD1-NH1 3.4Å; D68-R71 IonicContact OD1-NH2 3.2Å; D68-R71 PolarHBondContact OD1-NH2 3.08Å; R71-M73 VanDerWaalsContact C-N 3.28Å; R71-M73 PolarHBondContact O-N 3.08Å; R71-S74 WeakPolarHBondContact CA-OG 3.04Å; R71-S74 PolarHBondContact O-N 3.09Å; R71-S74 VanDerWaalsContact O-N 3.09Å; R71-S74 PolarHBondContact O-OG 2.9Å; R71-E75 WeakPolarHBondContact CG-OE1 3.3Å; R71-E75 WeakPolarHBondContact O-CG 3.4Å; R71-E75 PolarHBondContact O-N 3.21Å
72	S	86.8	Confident	85.5	Confident	55 Å²	55	57.5 Å²	57.5	39%	0.385	32%	0.316	S	S	.	.	H	α-helix	trans	-59.2	-35.9	179.4	177.9	0	0	0	0	113.4	D68 Y70 S76	D68-S72 PolarHBondContact O-N 3.07Å; D68-S72 VanDerWaalsContact O-N 3.1Å; Y70-S72 PolarHBondContact O-N 2.91Å; S72-S76 WeakPolarHBondContact O-CB 3.49Å; S72-S76 PolarHBondContact O-N 2.89Å; S72-S76 PolarHBondContact O-OG 2.9Å
73	M	85.9	Confident	85.6	Confident	22 Å²	22	59.9 Å²	59.9	11%	0.108	33%	0.328	C	S	.	.	H	α-helix	trans	-74.2	-38.7	175.1	-66.6	-59.3	100.5	0	0	112.2	S69 Y70 R71 E75 S76 Y77 W135 M138 A139	S69-M73 VanDerWaalsContact O-CG 3.27Å; S69-M73 WeakPolarHBondContact O-CG 3.35Å; S69-M73 PolarHBondContact O-N 3.21Å; Y70-M73 PolarHBondContact O-N 2.83Å; Y70-M73 VanDerWaalsContact O-N 3.14Å; R71-M73 VanDerWaalsContact C-N 3.28Å; R71-M73 PolarHBondContact O-N 3.08Å; M73-E75 VanDerWaalsContact C-N 3.33Å; M73-E75 PolarHBondContact O-N 2.98Å; M73-S76 PolarHBondContact O-N 3.26Å; M73-Y77 PolarHBondContact O-N 3.15Å; M73-Y77 HydrophobicContact SD-CD2 4.06Å; M73-Y77 HydrophobicContact SD-CE2 3.91Å; M73-W135 HydrophobicContact CB-CH2 3.57Å; M73-W135 HydrophobicContact CB-CZ2 4.22Å; M73-W135 HydrophobicContact CB-CZ3 3.97Å; M73-W135 HydrophobicContact CG-CH2 3.65Å; M73-W135 HydrophobicContact CG-CZ2 3.77Å; M73-W135 HydrophobicContact CG-CZ3 4.19Å; M73-M138 HydrophobicContact SD-CB 3.9Å; M73-A139 HydrophobicContact CG-CB 4.49Å; M73-A139 HydrophobicContact SD-CB 3.96Å
74	S	83.6	Confident	85.6	Confident	33 Å²	33	58.7 Å²	58.7	23%	0.231	33%	0.326	C	S	.	.	H	α-helix	trans	-66.7	-31.6	176.3	62.5	0	0	0	0	113.5	Y70 R71 S76	Y70-S74 PolarHBondContact O-N 3.18Å; Y70-S74 PolarHBondContact O-OG 3.03Å; R71-S74 WeakPolarHBondContact CA-OG 3.04Å; R71-S74 PolarHBondContact O-N 3.09Å; R71-S74 VanDerWaalsContact O-N 3.09Å; R71-S74 PolarHBondContact O-OG 2.9Å; S74-S76 VanDerWaalsContact C-N 3.32Å
75	E	81.9	Confident	85.7	Confident	119 Å²	119	57.3 Å²	57.3	56%	0.556	31%	0.312	S	S	*	.	H	α-helix	trans	-69.6	-30.8	173.4	-71.1	165.4	-178.1	0	0	112.1	R71 M73	R71-E75 WeakPolarHBondContact CG-OE1 3.3Å; R71-E75 WeakPolarHBondContact O-CG 3.4Å; R71-E75 PolarHBondContact O-N 3.21Å; M73-E75 VanDerWaalsContact C-N 3.33Å; M73-E75 PolarHBondContact O-N 2.98Å
76	S	73.1	Confident	85.8	Confident	80 Å²	80	53.9 Å²	53.9	56%	0.559	30%	0.295	S	S	*	.	H	α-helix	trans	-98.6	-24.9	-172.4	-54.9	0	0	0	0	114.6	S72 M73 S74	S72-S76 WeakPolarHBondContact O-CB 3.49Å; S72-S76 PolarHBondContact O-N 2.89Å; S72-S76 PolarHBondContact O-OG 2.9Å; M73-S76 PolarHBondContact O-N 3.26Å; S74-S76 VanDerWaalsContact C-N 3.32Å
77	Y	76.1	Confident	85.8	Confident	106 Å²	106	53.9 Å²	53.9	42%	0.416	30%	0.295	S	S	.	.	S	Bend	trans	-142.6	140.1	-172.1	-59.9	-80.3	0	0	0	112.2	M73 L79 M138	M73-Y77 PolarHBondContact O-N 3.15Å; M73-Y77 HydrophobicContact SD-CD2 4.06Å; M73-Y77 HydrophobicContact SD-CE2 3.91Å; Y77-L79 PolarHBondContact O-N 2.86Å; Y77-M138 HydrophobicContact CD1-CG 4.08Å; Y77-M138 HydrophobicContact CD1-SD 4.32Å; Y77-M138 HydrophobicContact CD2-CB 3.81Å; Y77-M138 HydrophobicContact CD2-CG 3.87Å; Y77-M138 HydrophobicContact CD2-SD 4.14Å; Y77-M138 HydrophobicContact CE1-CG 4.11Å; Y77-M138 HydrophobicContact CE2-CB 3.58Å; Y77-M138 HydrophobicContact CE2-CG 3.91Å; Y77-M138 WeakPolarHBondContact CE2-O 3.36Å; Y77-M138 HydrophobicContact CG-CB 4.4Å; Y77-M138 HydrophobicContact CG-CG 3.95Å; Y77-M138 HydrophobicContact CG-SD 3.88Å; Y77-M138 PolarHBondContact OH-O 2.67Å
78	T	78.1	Confident	85.8	Confident	140 Å²	140	52.6 Å²	52.6	86%	0.859	29%	0.291	S	S	*	.			trans	-71.1	111.5	173.7	-30.3	0	0	0	0	111	E80	T78-E80 PolarHBondContact O-N 3.5Å
79	L	81.9	Confident	85.9	Confident	27 Å²	27	48.5 Å²	48.5	14%	0.141	27%	0.269	C	S	.	.			trans	-90.9	88.1	-173.2	-65.9	-171.7	0	0	0	112.7	Y70 Y77 G81 W86 W135 M138	Y70-L79 HydrophobicContact CD2-CD1 4.26Å; Y70-L79 HydrophobicContact CE2-CD1 3.48Å; Y70-L79 VanDerWaalsContact CE2-CD1 3.48Å; Y77-L79 PolarHBondContact O-N 2.86Å; L79-G81 PolarHBondContact O-N 3.24Å; L79-W86 HydrophobicContact CD1-CG 4.42Å; L79-W86 HydrophobicContact CD2-CD2 4.37Å; L79-W86 HydrophobicContact CD2-CZ2 4.36Å; L79-W135 HydrophobicContact CD1-CZ3 4.34Å; L79-W135 HydrophobicContact CD2-CZ3 4.32Å; L79-M138 HydrophobicContact CD2-CE 3.71Å; L79-M138 HydrophobicContact CD2-SD 4.14Å
80	E	75.8	Confident	86	Confident	103 Å²	103	47.1 Å²	47.1	48%	0.481	26%	0.259	S	S	.	.			trans	-61	128.5	-179.5	-64.9	171.5	175.4	0	0	114.3	T78 W86 K131	T78-E80 PolarHBondContact O-N 3.5Å; E80-W86 PolarHBondContact O-NE1 3.37Å; E80-W86 VanDerWaalsContact O-NE1 3.1Å; E80-K131 PolarHBondContact O-NZ 3.21Å
81	G	81.1	Confident	85.9	Confident	44 Å²	44	46.9 Å²	46.9	45%	0.454	26%	0.258	S	S	.	.	S	Bend	trans	70.3	166.7	172.4	0	0	0	0	0	115	L79 D83 W86 K131	L79-G81 PolarHBondContact O-N 3.24Å; G81-D83 PolarHBondContact O-N 2.76Å; G81-W86 PolarHBondContact O-NE1 2.89Å; G81-K131 PolarHBondContact O-NZ 3.23Å
82	N	85.5	Confident	85.8	Confident	67 Å²	67	43.2 Å²	43.2	36%	0.358	24%	0.244	S	C	.	.			trans	-21.9	116.4	-169.2	-170.7	0.9	0	0	0	116.4	L84 H85 K131	N82-L84 VanDerWaalsContact C-N 3.32Å; N82-L84 PolarHBondContact O-N 2.78Å; N82-L84 PolarHBondContact OD1-N 2.92Å; N82-H85 PolarHBondContact ND2-CD2 2.97Å; N82-H85 PolarHBondContact ND2-NE2 3.48Å; N82-H85 WeakPolarHBondContact O-CB 3.29Å; N82-H85 PolarHBondContact O-N 2.89Å; N82-H85 VanDerWaalsContact O-N 3.16Å; N82-K131 PolarHBondContact O-NZ 3.33Å
83	D	88.3	Confident	86	Confident	55 Å²	55	40.9 Å²	40.9	29%	0.294	23%	0.227	S	C	.	.	H	α-helix	trans	-57.1	-39	177.8	-53.6	-94.1	0	0	0	113.1	I45 Y70 G81 H85 W86 L87	I45-D83 HydrophobicContact CD1-CB 4.37Å; I45-D83 HydrophobicContact CG1-CB 4.46Å; I45-D83 HydrophobicContact CG2-CB 4.03Å; Y70-D83 PolarHBondContact OH-OD1 2.9Å; G81-D83 PolarHBondContact O-N 2.76Å; D83-H85 PolarHBondContact O-N 2.7Å; D83-W86 WeakPolarHBondContact O-CA 3.01Å; D83-W86 WeakPolarHBondContact O-CB 3.5Å; D83-W86 PolarHBondContact O-N 3.18Å; D83-L87 PolarHBondContact O-N 3.41Å
84	L	90.3	Very high	86.1	Confident	31 Å²	31	40 Å²	40	16%	0.162	22%	0.223	C	C	.	.	H	α-helix	trans	-60.8	-30.4	179	-76.1	172.9	0	0	0	112.2	R48 L52 N82 W86 L87 A88	R48-L84 HydrophobicContact CB-CD1 4.3Å; R48-L84 HydrophobicContact CB-CD2 4.03Å; R48-L84 HydrophobicContact CB-CG 4.48Å; L52-L84 HydrophobicContact CD2-CD2 4.19Å; N82-L84 VanDerWaalsContact C-N 3.32Å; N82-L84 PolarHBondContact O-N 2.78Å; N82-L84 PolarHBondContact OD1-N 2.92Å; L84-W86 VanDerWaalsContact C-N 3.31Å; L84-L87 HydrophobicContact CD2-CD1 4.27Å; L84-A88 VanDerWaalsContact O-CB 3.27Å; L84-A88 WeakPolarHBondContact O-CB 3.48Å; L84-A88 PolarHBondContact O-N 3.42Å
85	H	91.9	Very high	86	Confident	18 Å²	18	38.4 Å²	38.4	8%	0.083	21%	0.212	C	C	.	.	H	α-helix	trans	-75.4	-21.2	176.6	-62.1	-165.6	0	0	0	112.5	N82 D83 C89 Q123 K131	N82-H85 PolarHBondContact ND2-CD2 2.97Å; N82-H85 PolarHBondContact ND2-NE2 3.48Å; N82-H85 WeakPolarHBondContact O-CB 3.29Å; N82-H85 PolarHBondContact O-N 2.89Å; N82-H85 VanDerWaalsContact O-N 3.16Å; D83-H85 PolarHBondContact O-N 2.7Å; H85-C89 PolarHBondContact O-SG 3.08Å; H85-Q123 HydrophobicContact CB-CG 4.17Å; H85-Q123 PolarHBondContact O-NE2 3.48Å; H85-Q123 PolarHBondContact O-OE1 3.4Å; H85-K131 HydrophobicContact CB-CD 3.61Å
86	W	92.6	Very high	85.9	Confident	5 Å²	5	33.2 Å²	33.2	2%	0.019	19%	0.188	C	C	.	.	H	α-helix	trans	-84.9	-42.8	172.1	-68.3	124.7	0	0	0	111.1	Y70 L79 E80 G81 D83 L84 A88 C89 A90 K131 K134 W135 M138	Y70-W86 HydrophobicContact CD2-CB 4.24Å; Y70-W86 HydrophobicContact CE2-CB 3.63Å; L79-W86 HydrophobicContact CD1-CG 4.42Å; L79-W86 HydrophobicContact CD2-CD2 4.37Å; L79-W86 HydrophobicContact CD2-CZ2 4.36Å; E80-W86 PolarHBondContact O-NE1 3.37Å; E80-W86 VanDerWaalsContact O-NE1 3.1Å; G81-W86 PolarHBondContact O-NE1 2.89Å; D83-W86 WeakPolarHBondContact O-CA 3.01Å; D83-W86 WeakPolarHBondContact O-CB 3.5Å; D83-W86 PolarHBondContact O-N 3.18Å; L84-W86 VanDerWaalsContact C-N 3.31Å; W86-A88 VanDerWaalsContact C-N 3.26Å; W86-A88 PolarHBondContact O-N 2.67Å; W86-C89 WeakPolarHBondContact O-CA 3.21Å; W86-C89 WeakPolarHBondContact O-CB 3.37Å; W86-C89 PolarHBondContact O-N 2.84Å; W86-A90 PolarHBondContact O-N 3.13Å; W86-K131 HydrophobicContact CD2-CD 3.78Å; W86-K131 HydrophobicContact CD2-CG 4.33Å; W86-K131 VanDerWaalsContact CE2-NZ 3.32Å; W86-K131 HydrophobicContact CE3-CB 4.01Å; W86-K131 HydrophobicContact CE3-CD 3.93Å; W86-K131 HydrophobicContact CE3-CG 4.05Å; W86-K131 HydrophobicContact CG-CD 4.29Å; W86-K131 HydrophobicContact CH2-CB 4.46Å; W86-K131 HydrophobicContact CH2-CD 4.47Å; W86-K131 HydrophobicContact CH2-CG 4.06Å; W86-K131 HydrophobicContact CZ2-CD 4.28Å; W86-K131 HydrophobicContact CZ2-CG 4.27Å; W86-K131 HydrophobicContact CZ3-CB 3.88Å; W86-K131 HydrophobicContact CZ3-CD 4.29Å; W86-K131 HydrophobicContact CZ3-CG 3.92Å; W86-K134 HydrophobicContact CH2-CB 3.87Å; W86-K134 HydrophobicContact CH2-CD 3.64Å; W86-K134 HydrophobicContact CH2-CG 4.43Å; W86-K134 HydrophobicContact CZ3-CB 3.97Å; W86-K134 HydrophobicContact CZ3-CD 4.4Å; W86-W135 HydrophobicContact CB-CZ3 4.23Å; W86-W135 AromaticContact CE3-CE3 3.65Å; W86-W135 HydrophobicContact CE3-CE3 3.65Å; W86-W135 HydrophobicContact CE3-CZ3 4.08Å; W86-W135 HydrophobicContact CZ3-CE3 4.11Å; W86-M138 HydrophobicContact CE3-CE 4.42Å; W86-M138 HydrophobicContact CH2-CE 4.07Å; W86-M138 HydrophobicContact CZ3-CE 3.81Å
87	L	92.6	Very high	85.8	Confident	0 Å²	0	33.5 Å²	33.5	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-59.1	-36.4	171.5	-72.2	159.9	0	0	0	111.9	I45 F49 W67 Y70 D83 L84 C89 A90 L91	I45-L87 HydrophobicContact CG2-CD1 3.78Å; F49-L87 HydrophobicContact CB-CD1 4.14Å; F49-L87 HydrophobicContact CD2-CB 3.92Å; F49-L87 HydrophobicContact CD2-CD1 4.14Å; F49-L87 HydrophobicContact CD2-CD2 3.7Å; F49-L87 HydrophobicContact CD2-CG 4.14Å; F49-L87 HydrophobicContact CE2-CB 4.26Å; F49-L87 HydrophobicContact CE2-CD2 4Å; F49-L87 HydrophobicContact CG-CD1 4.43Å; F49-L87 HydrophobicContact CG-CD2 4.13Å; W67-L87 HydrophobicContact CE3-CD2 3.66Å; W67-L87 HydrophobicContact CZ3-CD1 4.28Å; W67-L87 HydrophobicContact CZ3-CD2 3.72Å; Y70-L87 HydrophobicContact CD1-CD2 3.7Å; Y70-L87 HydrophobicContact CD1-CG 4.26Å; Y70-L87 HydrophobicContact CD2-CD2 3.77Å; Y70-L87 HydrophobicContact CD2-CG 3.89Å; Y70-L87 HydrophobicContact CE1-CD2 4.32Å; Y70-L87 HydrophobicContact CE1-CG 4.43Å; Y70-L87 HydrophobicContact CE2-CD2 4.4Å; Y70-L87 HydrophobicContact CE2-CG 4.1Å; Y70-L87 HydrophobicContact CG-CD2 3.39Å; Y70-L87 HydrophobicContact CG-CG 3.99Å; D83-L87 PolarHBondContact O-N 3.41Å; L84-L87 HydrophobicContact CD2-CD1 4.27Å; L87-C89 VanDerWaalsContact C-N 3.32Å; L87-C89 PolarHBondContact O-N 2.75Å; L87-A90 PolarHBondContact O-N 2.88Å; L87-L91 VanDerWaalsContact O-CB 3.23Å; L87-L91 WeakPolarHBondContact O-CB 3.37Å; L87-L91 PolarHBondContact O-N 3.01Å
88	A	92.2	Very high	84.8	Confident	0 Å²	0	33.2 Å²	33.2	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-62.8	-35.1	171.5	0	0	0	0	0	113	L84 W86 Y92 I117	L84-A88 VanDerWaalsContact O-CB 3.27Å; L84-A88 WeakPolarHBondContact O-CB 3.48Å; L84-A88 PolarHBondContact O-N 3.42Å; W86-A88 VanDerWaalsContact C-N 3.26Å; W86-A88 PolarHBondContact O-N 2.67Å; A88-Y92 VanDerWaalsContact O-CB 3.31Å; A88-Y92 WeakPolarHBondContact O-CB 3.39Å; A88-Y92 PolarHBondContact O-N 2.98Å; A88-I117 HydrophobicContact CB-CG2 4.03Å
89	C	92.7	Very high	83.5	Confident	0 Å²	0	29 Å²	29	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-68.9	-46.3	172.9	-61.5	0	0	0	0	111	H85 W86 L87 L91 Y92 V93 M132 W135	H85-C89 PolarHBondContact O-SG 3.08Å; W86-C89 WeakPolarHBondContact O-CA 3.21Å; W86-C89 WeakPolarHBondContact O-CB 3.37Å; W86-C89 PolarHBondContact O-N 2.84Å; L87-C89 VanDerWaalsContact C-N 3.32Å; L87-C89 PolarHBondContact O-N 2.75Å; C89-L91 VanDerWaalsContact C-N 3.35Å; C89-L91 PolarHBondContact O-N 3.38Å; C89-Y92 PolarHBondContact O-N 3.24Å; C89-V93 WeakPolarHBondContact O-CG2 3.34Å; C89-V93 PolarHBondContact O-N 3.15Å; C89-V93 VanDerWaalsContact O-N 3.09Å; C89-M132 HydrophobicContact CB-SD 3.92Å; C89-W135 HydrophobicContact CB-CB 4.08Å; C89-W135 HydrophobicContact CB-CD2 4.17Å; C89-W135 HydrophobicContact CB-CG 3.87Å
90	A	92.4	Very high	81.7	Confident	2 Å²	2	32.8 Å²	32.8	2%	0.017	19%	0.193	C	C	.	.	H	α-helix	trans	-59.6	-44.2	175.8	0	0	0	0	0	112.1	A66 W86 L87 V93 A94 W135	A66-A90 HydrophobicContact CB-CB 4.21Å; A66-A90 WeakPolarHBondContact O-CB 3.39Å; W86-A90 PolarHBondContact O-N 3.13Å; L87-A90 PolarHBondContact O-N 2.88Å; A90-V93 WeakPolarHBondContact O-CB 3.46Å; A90-V93 PolarHBondContact O-N 2.74Å; A90-A94 PolarHBondContact O-N 3.38Å; A90-W135 HydrophobicContact CB-CH2 4.46Å; A90-W135 HydrophobicContact CB-CZ2 3.67Å
91	L	90.5	Very high	80.4	Confident	0 Å²	0	30.2 Å²	30.2	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-67.4	-38.4	178.1	-169.9	64.7	0	0	0	112	L56 M58 A66 L87 C89 V93 A94 C95	L56-L91 HydrophobicContact CD1-CD2 3.53Å; M58-L91 HydrophobicContact CE-CD1 4.04Å; M58-L91 HydrophobicContact CG-CD1 4.13Å; M58-L91 HydrophobicContact CG-CD2 4.25Å; M58-L91 HydrophobicContact SD-CD1 4.27Å; M58-L91 HydrophobicContact SD-CD2 4.41Å; A66-L91 HydrophobicContact CB-CB 4.2Å; A66-L91 HydrophobicContact CB-CD1 3.97Å; L87-L91 VanDerWaalsContact O-CB 3.23Å; L87-L91 WeakPolarHBondContact O-CB 3.37Å; L87-L91 PolarHBondContact O-N 3.01Å; C89-L91 VanDerWaalsContact C-N 3.35Å; C89-L91 PolarHBondContact O-N 3.38Å; L91-V93 VanDerWaalsContact C-N 3.31Å; L91-V93 PolarHBondContact O-N 3.27Å; L91-A94 PolarHBondContact O-N 2.78Å; L91-C95 WeakPolarHBondContact O-CB 3.35Å; L91-C95 PolarHBondContact O-N 3.08Å; L91-C95 PolarHBondContact O-SG 3.33Å
92	Y	89.3	Confident	78.6	Confident	1 Å²	1	35.6 Å²	35.6	0%	0.004	21%	0.207	C	C	.	.	H	α-helix	trans	-61	-38.9	172.7	175.3	-97.3	0	0	0	112.3	A88 C89 R96 L114 I117 F128 M132 F145 L152	A88-Y92 VanDerWaalsContact O-CB 3.31Å; A88-Y92 WeakPolarHBondContact O-CB 3.39Å; A88-Y92 PolarHBondContact O-N 2.98Å; C89-Y92 PolarHBondContact O-N 3.24Å; Y92-R96 HydrophobicContact CE2-CG 4.23Å; Y92-R96 WeakPolarHBondContact O-CG 3.4Å; Y92-R96 PolarHBondContact O-N 3.21Å; Y92-L114 HydrophobicContact CD2-CD1 3.86Å; Y92-L114 HydrophobicContact CE2-CB 4.34Å; Y92-L114 HydrophobicContact CE2-CD1 4.18Å; Y92-I117 HydrophobicContact CD2-CD1 4.35Å; Y92-F128 HydrophobicContact CD1-CE2 4.47Å; Y92-F128 AromaticContact CD1-CZ 3.74Å; Y92-F128 HydrophobicContact CD1-CZ 3.74Å; Y92-F128 HydrophobicContact CD2-CZ 4.14Å; Y92-F128 HydrophobicContact CE1-CZ 4.15Å; Y92-F128 HydrophobicContact CG-CE2 4.2Å; Y92-F128 AromaticContact CG-CZ 3.73Å; Y92-F128 HydrophobicContact CG-CZ 3.73Å; Y92-M132 HydrophobicContact CD1-CE 4.12Å; Y92-M132 HydrophobicContact CD1-SD 4.01Å; Y92-M132 HydrophobicContact CE1-CE 4.45Å; Y92-F145 HydrophobicContact CD1-CE1 4.48Å; Y92-F145 HydrophobicContact CD1-CZ 4.24Å; Y92-F145 HydrophobicContact CE1-CE1 4.08Å; Y92-F145 AromaticContact CE1-CZ 3.95Å; Y92-F145 HydrophobicContact CE1-CZ 3.95Å; Y92-L152 WeakPolarHBondContact OH-CD2 3.17Å
93	V	89.3	Confident	76.6	Confident	5 Å²	5	37.2 Å²	37.2	3%	0.03	22%	0.224	C	C	.	.	H	α-helix	trans	-64.8	-49.3	174.7	175.2	0	0	0	0	111.3	C89 A90 L91 C95 R96 K97 M132 L141 F145	C89-V93 WeakPolarHBondContact O-CG2 3.34Å; C89-V93 PolarHBondContact O-N 3.15Å; C89-V93 VanDerWaalsContact O-N 3.09Å; A90-V93 WeakPolarHBondContact O-CB 3.46Å; A90-V93 PolarHBondContact O-N 2.74Å; L91-V93 VanDerWaalsContact C-N 3.31Å; L91-V93 PolarHBondContact O-N 3.27Å; V93-C95 PolarHBondContact O-N 2.92Å; V93-R96 PolarHBondContact O-N 3.21Å; V93-R96 VanDerWaalsContact O-N 3.11Å; V93-K97 PolarHBondContact O-N 2.98Å; V93-M132 HydrophobicContact CG2-CE 3.56Å; V93-M132 HydrophobicContact CG2-SD 4.47Å; V93-L141 HydrophobicContact CG1-CD1 4.25Å; V93-L141 HydrophobicContact CG1-CD2 4.2Å; V93-L141 HydrophobicContact CG2-CD1 3.57Å; V93-F145 HydrophobicContact CB-CZ 4.37Å; V93-F145 HydrophobicContact CG1-CZ 4.5Å; V93-F145 HydrophobicContact CG2-CE1 4.19Å; V93-F145 HydrophobicContact CG2-CZ 4.04Å
94	A	88.1	Confident	74.2	Confident	3 Å²	3	44.5 Å²	44.5	3%	0.025	25%	0.253	C	S	.	.	H	α-helix	trans	-59.9	-45.8	177.9	0	0	0	0	0	111.6	A62 E65 A66 A90 L91 R96 K97	A62-A94 HydrophobicContact CB-CB 4.02Å; E65-A94 HydrophobicContact CB-CB 4.38Å; A66-A94 HydrophobicContact CB-CB 4.12Å; A90-A94 PolarHBondContact O-N 3.38Å; L91-A94 PolarHBondContact O-N 2.78Å; A94-R96 PolarHBondContact O-N 3.18Å; A94-K97 PolarHBondContact O-N 3.07Å
95	C	82.9	Confident	72.1	Confident	0 Å²	0	45.5 Å²	45.5	0%	0	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-12.6	174.7	-76.6	0	0	0	0	115.4	M58 L91 V93 G109	M58-C95 WeakPolarHBondContact CE-SG 3.09Å; L91-C95 WeakPolarHBondContact O-CB 3.35Å; L91-C95 PolarHBondContact O-N 3.08Å; L91-C95 PolarHBondContact O-SG 3.33Å; V93-C95 PolarHBondContact O-N 2.92Å; C95-G109 VanDerWaalsContact O-CA 3.29Å; C95-G109 WeakPolarHBondContact O-CA 3.38Å
96	R	78.7	Confident	69.7	Low	11 Å²	11	50.1 Å²	50.1	4%	0.042	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	-117.3	0.9	-177.5	-68.8	-69.7	171.9	-105.4	-16.2	113.8	Y92 V93 A94 E108 V112 F145 G346	Y92-R96 HydrophobicContact CE2-CG 4.23Å; Y92-R96 WeakPolarHBondContact O-CG 3.4Å; Y92-R96 PolarHBondContact O-N 3.21Å; V93-R96 PolarHBondContact O-N 3.21Å; V93-R96 VanDerWaalsContact O-N 3.11Å; A94-R96 PolarHBondContact O-N 3.18Å; R96-E108 PolarHBondContact NH1-O 3.19Å; R96-V112 PolarHBondContact NH2-O 3.09Å; R96-F145 HydrophobicContact CB-CE2 3.75Å; R96-F145 HydrophobicContact CB-CZ 4.08Å; R96-G346 PolarHBondContact NH2-O 3.27Å
97	K	70.9	Confident	67.6	Low	86 Å²	86	51.9 Å²	51.9	37%	0.374	31%	0.312	S	S	.	.	S	Bend	trans	-76.9	150.6	161.7	-73.2	163	173.5	174.9	0	109.1	E65 V93 A94 V99	E65-K97 VanDerWaalsContact CD-NZ 3.28Å; E65-K97 VanDerWaalsContact OE1-CD 3.27Å; E65-K97 WeakPolarHBondContact OE1-CD 3.44Å; E65-K97 WeakPolarHBondContact OE1-CE 3.49Å; E65-K97 IonicContact OE1-NZ 3.77Å; E65-K97 PolarHBondContact OE1-NZ 3.25Å; E65-K97 WeakPolarHBondContact OE2-CD 3.49Å; E65-K97 IonicContact OE2-NZ 2.71Å; V93-K97 PolarHBondContact O-N 2.98Å; A94-K97 PolarHBondContact O-N 3.07Å; K97-V99 PolarHBondContact O-N 2.87Å
98	S	55.4	Low	65.7	Low	99 Å²	99	56.3 Å²	56.3	69%	0.692	33%	0.333	S	S	*	.			trans	-72.4	114.4	-168	56.5	0	0	0	0	112.6
99	V	51.8	Low	64.1	Low	52 Å²	52	56.5 Å²	56.5	32%	0.315	34%	0.335	S	S	.	.			trans	-101.2	124.9	174.1	-176.3	0	0	0	0	109.5	K97 T101	K97-V99 PolarHBondContact O-N 2.87Å; V99-T101 PolarHBondContact O-N 3.18Å
100	P	44.3	Very low	62.8	Low	107 Å²	107	58.2 Å²	58.2	70%	0.695	34%	0.344	S	S	*	.			trans	-76.2	115.8	-176.8	28.9	-33.7	0	0	0	112.3
101	T	48.6	Very low	61.7	Low	49 Å²	49	63.5 Å²	63.5	30%	0.301	37%	0.365	S	S	.	.			trans	-83.8	137.2	178.1	25.9	0	0	0	0	113.4	V99 S103 G105 Y111	V99-T101 PolarHBondContact O-N 3.18Å; T101-S103 PolarHBondContact O-N 3.31Å; T101-G105 PolarHBondContact OG1-O 3.18Å; T101-Y111 HydrophobicContact CG2-CE2 4.16Å
102	V	42.9	Very low	61.1	Low	156 Å²	156	63.8 Å²	63.8	95%	0.945	37%	0.366	S	S	*	.	S	Bend	trans	-65.9	-12	-166.8	-177.7	0	0	0	0	114.9
103	S	43.3	Very low	60.7	Low	101 Å²	101	64.6 Å²	64.6	71%	0.706	37%	0.372	S	S	*	.	S	Bend	trans	-148.1	128.6	170.6	61.5	0	0	0	0	113	T101	T101-S103 PolarHBondContact O-N 3.31Å
104	K	38.5	Very low	60.6	Low	208 Å²	208	64.4 Å²	64.4	90%	0.904	37%	0.371	S	S	*	.	S	Bend	trans	58.1	81.2	175.1	-63.4	-172.1	177.9	-176.8	0	116.2
105	G	44.5	Very low	60.4	Low	53 Å²	53	64.9 Å²	64.9	55%	0.546	37%	0.374	S	S	.	.	S	Bend	trans	95.9	160.5	161.1	0	0	0	0	0	114.7	T101 V107	T101-G105 PolarHBondContact OG1-O 3.18Å; G105-V107 PolarHBondContact O-N 3.49Å
106	T	41.3	Very low	60.6	Low	115 Å²	115	70 Å²	70	71%	0.706	39%	0.393	S	S	*	.			trans	-82.6	100.5	168.6	45.6	0	0	0	0	109
107	V	50.3	Low	61.1	Low	41 Å²	41	69.5 Å²	69.5	25%	0.248	39%	0.391	C	S	.	.			trans	-85.6	141	170.2	-175.9	0	0	0	0	108.7	G105 G109 Y111	G105-V107 PolarHBondContact O-N 3.49Å; V107-G109 VanDerWaalsContact C-N 3.32Å; V107-G109 PolarHBondContact O-N 2.79Å; V107-Y111 HydrophobicContact CG1-CE1 4Å
108	E	52.8	Low	62	Low	93 Å²	93	66 Å²	66	44%	0.435	38%	0.376	S	S	.	.	S	Bend	trans	-77.8	77.3	-173	-71	-167.2	113.7	0	0	113.9	R96 R148	R96-E108 PolarHBondContact NH1-O 3.19Å; E108-R148 IonicContact OE1-CZ 3.13Å; E108-R148 IonicContact OE1-NH1 2.81Å; E108-R148 PolarHBondContact OE1-NH1 3.31Å; E108-R148 IonicContact OE1-NH2 2.58Å; E108-R148 IonicContact OE2-CZ 2.68Å; E108-R148 VanDerWaalsContact OE2-CZ 3.24Å; E108-R148 IonicContact OE2-NH1 2.79Å; E108-R148 PolarHBondContact OE2-NH1 2.93Å; E108-R148 IonicContact OE2-NH2 2.68Å; E108-R148 PolarHBondContact OE2-NH2 3.25Å
109	G	57.9	Low	63.4	Low	5 Å²	5	66.2 Å²	66.2	5%	0.052	37%	0.365	C	S	.	.	S	Bend	trans	99.8	-171.4	160.5	0	0	0	0	0	115.2	C95 V107 Y111	C95-G109 VanDerWaalsContact O-CA 3.29Å; C95-G109 WeakPolarHBondContact O-CA 3.38Å; V107-G109 VanDerWaalsContact C-N 3.32Å; V107-G109 PolarHBondContact O-N 2.79Å; G109-Y111 PolarHBondContact O-N 3.46Å
110	N	66.1	Low	65.2	Low	36 Å²	36	64.6 Å²	64.6	19%	0.193	36%	0.355	C	S	.	.	S	Bend	trans	-76.3	22.6	-158.8	-70.9	-30.8	0	0	0	116.4	M58 D59 A62 V112	M58-N110 HydrophobicContact CE-CB 4.21Å; M58-N110 WeakPolarHBondContact CE-ND2 3.47Å; D59-N110 VanDerWaalsContact OD1-CG 3.27Å; D59-N110 PolarHBondContact OD1-ND2 2.97Å; D59-N110 PolarHBondContact OD1-OD1 3.32Å; A62-N110 WeakPolarHBondContact CB-ND2 3.26Å; N110-V112 HydrophobicContact CB-CG2 4.35Å; N110-V112 WeakPolarHBondContact O-CG2 3.49Å; N110-V112 PolarHBondContact O-N 2.99Å
111	Y	68.4	Low	67.3	Low	113 Å²	113	59.6 Å²	59.6	44%	0.443	32%	0.323	S	S	.	.	S	Bend	trans	53.7	15.2	-175.8	-60.9	-90.1	0	0	0	115.1	T101 V107 G109 L343	T101-Y111 HydrophobicContact CG2-CE2 4.16Å; V107-Y111 HydrophobicContact CG1-CE1 4Å; G109-Y111 PolarHBondContact O-N 3.46Å; Y111-L343 VanDerWaalsContact O-CD2 3.29Å; Y111-L343 WeakPolarHBondContact O-CD2 3.24Å
112	V	78.1	Confident	69.1	Low	6 Å²	6	64.6 Å²	64.6	4%	0.036	34%	0.343	C	S	.	.			trans	-85.7	126.8	171.8	-170.8	0	0	0	0	108.8	L56 M58 R96 N110 R116 I117	L56-V112 HydrophobicContact CD2-CG1 4.09Å; M58-V112 HydrophobicContact SD-CG2 3.91Å; R96-V112 PolarHBondContact NH2-O 3.09Å; N110-V112 HydrophobicContact CB-CG2 4.35Å; N110-V112 WeakPolarHBondContact O-CG2 3.49Å; N110-V112 PolarHBondContact O-N 2.99Å; V112-R116 HydrophobicContact CG1-CB 4.34Å; V112-I117 HydrophobicContact CG1-CD1 4.23Å; V112-I117 HydrophobicContact CG1-CG1 3.62Å
113	S	81	Confident	71.3	Confident	18 Å²	18	57.5 Å²	57.5	13%	0.126	30%	0.299	C	S	.	.			trans	-80.6	149.8	172.3	63.8	0	0	0	0	111	T115 R116 I117	S113-T115 VanDerWaalsContact C-N 3.26Å; S113-T115 PolarHBondContact O-N 3.01Å; S113-R116 PolarHBondContact O-N 2.85Å; S113-R116 PolarHBondContact OG-N 3.01Å; S113-I117 PolarHBondContact O-N 2.96Å
114	L	86.9	Confident	73.5	Confident	0 Å²	0	53.1 Å²	53.1	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-55.6	-44.1	177.4	174.5	59.4	0	0	0	111	Y92 R116 I117 L118 L125 F128 L152	Y92-L114 HydrophobicContact CD2-CD1 3.86Å; Y92-L114 HydrophobicContact CE2-CB 4.34Å; Y92-L114 HydrophobicContact CE2-CD1 4.18Å; L114-R116 PolarHBondContact O-N 3.24Å; L114-R116 VanDerWaalsContact O-N 3.17Å; L114-I117 PolarHBondContact O-N 2.96Å; L114-L118 HydrophobicContact CD1-CD1 4.03Å; L114-L118 HydrophobicContact CD1-CD2 4.24Å; L114-L118 HydrophobicContact CD1-CG 3.92Å; L114-L118 HydrophobicContact CD2-CD1 4.49Å; L114-L118 HydrophobicContact CG-CD1 3.91Å; L114-L118 HydrophobicContact CG-CG 4.23Å; L114-L118 WeakPolarHBondContact O-CG 3.5Å; L114-L118 PolarHBondContact O-N 2.85Å; L114-L125 HydrophobicContact CD2-CD1 3.87Å; L114-F128 HydrophobicContact CD1-CD1 3.99Å; L114-F128 HydrophobicContact CD1-CD2 4.13Å; L114-F128 HydrophobicContact CD1-CE1 3.71Å; L114-F128 HydrophobicContact CD1-CE2 3.84Å; L114-F128 HydrophobicContact CD1-CG 4.2Å; L114-F128 HydrophobicContact CD1-CZ 3.63Å; L114-F128 HydrophobicContact CD2-CD1 3.94Å; L114-F128 HydrophobicContact CD2-CE1 3.72Å; L114-F128 HydrophobicContact CD2-CZ 4.42Å; L114-F128 HydrophobicContact CG-CE1 4.39Å; L114-L152 HydrophobicContact CD2-CD2 3.83Å
115	T	84.6	Confident	75.8	Confident	14 Å²	14	43.2 Å²	43.2	9%	0.086	23%	0.226	C	C	.	.	H	α-helix	trans	-56.1	-33.9	178.3	-35	0	0	0	0	112.8	S113 K119 D349 I352	S113-T115 VanDerWaalsContact C-N 3.26Å; S113-T115 PolarHBondContact O-N 3.01Å; T115-K119 VanDerWaalsContact O-CG 3.32Å; T115-K119 WeakPolarHBondContact O-CG 3.38Å; T115-K119 PolarHBondContact O-N 3.23Å; T115-K119 VanDerWaalsContact O-N 3.12Å; T115-D349 PolarHBondContact OG1-N 3.34Å; T115-I352 HydrophobicContact CG2-CD1 4.31Å
116	R	85.8	Confident	77.6	Confident	108 Å²	108	40.9 Å²	40.9	41%	0.408	20%	0.201	S	C	.	.	H	α-helix	trans	-73.8	-39.6	177	-168.9	-175.9	169.5	-170.9	-6.3	112.1	R55 L56 V112 S113 L114 L118 C120	R55-R116 PolarHBondContact O-NH2 2.77Å; L56-R116 HydrophobicContact CD2-CB 4.42Å; L56-R116 HydrophobicContact CD2-CG 3.75Å; L56-R116 PolarHBondContact O-NH2 2.79Å; V112-R116 HydrophobicContact CG1-CB 4.34Å; S113-R116 PolarHBondContact O-N 2.85Å; S113-R116 PolarHBondContact OG-N 3.01Å; L114-R116 PolarHBondContact O-N 3.24Å; L114-R116 VanDerWaalsContact O-N 3.17Å; R116-L118 VanDerWaalsContact C-N 3.33Å; R116-L118 PolarHBondContact O-N 2.72Å; R116-C120 WeakPolarHBondContact O-CB 3.35Å; R116-C120 PolarHBondContact O-N 3.31Å; R116-C120 VanDerWaalsContact O-N 3.15Å; R116-C120 PolarHBondContact O-SG 2.7Å; R116-C120 VanDerWaalsContact O-SG 3.38Å
117	I	89	Confident	79.7	Confident	0 Å²	0	36.9 Å²	36.9	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-57.1	-51.2	174.2	-58.1	178.6	0	0	0	109.2	L56 A88 Y92 V112 S113 L114 K119 C120 S121	L56-I117 HydrophobicContact CD1-CG1 4.27Å; L56-I117 HydrophobicContact CD1-CG2 4.47Å; A88-I117 HydrophobicContact CB-CG2 4.03Å; Y92-I117 HydrophobicContact CD2-CD1 4.35Å; V112-I117 HydrophobicContact CG1-CD1 4.23Å; V112-I117 HydrophobicContact CG1-CG1 3.62Å; S113-I117 PolarHBondContact O-N 2.96Å; L114-I117 PolarHBondContact O-N 2.96Å; I117-K119 PolarHBondContact O-N 3.27Å; I117-C120 CarbonylContact O-C 3.56Å; I117-C120 WeakPolarHBondContact O-CA 3.36Å; I117-C120 PolarHBondContact O-N 2.82Å; I117-S121 PolarHBondContact O-N 2.93Å; I117-S121 PolarHBondContact O-OG 3.42Å
118	L	89.4	Confident	81.6	Confident	11 Å²	11	34.9 Å²	34.9	6%	0.058	16%	0.162	C	C	.	.	H	α-helix	trans	-62	-44.7	-176.9	-64.8	-178.1	0	0	0	113.7	L114 R116 C120 S121 E122 Q123 L125 F128	L114-L118 HydrophobicContact CD1-CD1 4.03Å; L114-L118 HydrophobicContact CD1-CD2 4.24Å; L114-L118 HydrophobicContact CD1-CG 3.92Å; L114-L118 HydrophobicContact CD2-CD1 4.49Å; L114-L118 HydrophobicContact CG-CD1 3.91Å; L114-L118 HydrophobicContact CG-CG 4.23Å; L114-L118 WeakPolarHBondContact O-CG 3.5Å; L114-L118 PolarHBondContact O-N 2.85Å; R116-L118 VanDerWaalsContact C-N 3.33Å; R116-L118 PolarHBondContact O-N 2.72Å; L118-C120 PolarHBondContact O-N 3.32Å; L118-S121 PolarHBondContact O-N 3.31Å; L118-E122 PolarHBondContact O-N 2.94Å; L118-Q123 WeakPolarHBondContact CB-O 3.4Å; L118-Q123 HydrophobicContact CD2-CB 4.08Å; L118-Q123 HydrophobicContact CD2-CG 4.14Å; L118-Q123 PolarHBondContact O-N 3.38Å; L118-L125 HydrophobicContact CD1-CB 4.08Å; L118-L125 HydrophobicContact CD1-CD1 3.66Å; L118-L125 HydrophobicContact CD1-CG 4.49Å; L118-F128 HydrophobicContact CD1-CB 4.26Å; L118-F128 HydrophobicContact CD2-CB 3.64Å; L118-F128 HydrophobicContact CD2-CD2 3.8Å; L118-F128 HydrophobicContact CD2-CG 3.85Å
119	K	86.6	Confident	83.2	Confident	105 Å²	105	30.5 Å²	30.5	46%	0.457	14%	0.141	S	C	.	.	H	α-helix	trans	-63.4	-24.6	172.9	-71.1	175.7	-167.6	-107.3	0	113.3	T115 I117 E361	T115-K119 VanDerWaalsContact O-CG 3.32Å; T115-K119 WeakPolarHBondContact O-CG 3.38Å; T115-K119 PolarHBondContact O-N 3.23Å; T115-K119 VanDerWaalsContact O-N 3.12Å; I117-K119 PolarHBondContact O-N 3.27Å; K119-E361 VanDerWaalsContact CE-OE1 3.25Å; K119-E361 WeakPolarHBondContact CE-OE1 3.49Å; K119-E361 WeakPolarHBondContact CE-OE2 3.29Å; K119-E361 IonicContact NZ-OE1 3.99Å; K119-E361 PolarHBondContact NZ-OE1 3.05Å; K119-E361 IonicContact NZ-OE2 2.7Å; K119-E361 PolarHBondContact NZ-OE2 3.24Å
120	C	88.3	Confident	84.4	Confident	18 Å²	18	31 Å²	31	12%	0.122	14%	0.143	C	C	.	.	H	α-helix	trans	-89.9	-24.1	176.8	-69	0	0	0	0	113.6	L52 R55 L56 R116 I117 L118	L52-C120 HydrophobicContact CD1-CB 3.49Å; L52-C120 VanDerWaalsContact CD1-CB 3.49Å; R55-C120 PolarHBondContact NH1-O 2.87Å; L56-C120 HydrophobicContact CD2-CB 3.9Å; L56-C120 HydrophobicContact CG-CB 4.11Å; R116-C120 WeakPolarHBondContact O-CB 3.35Å; R116-C120 PolarHBondContact O-N 3.31Å; R116-C120 VanDerWaalsContact O-N 3.15Å; R116-C120 PolarHBondContact O-SG 2.7Å; R116-C120 VanDerWaalsContact O-SG 3.38Å; I117-C120 CarbonylContact O-C 3.56Å; I117-C120 WeakPolarHBondContact O-CA 3.36Å; I117-C120 PolarHBondContact O-N 2.82Å; L118-C120 PolarHBondContact O-N 3.32Å
121	S	88.7	Confident	85.5	Confident	2 Å²	2	30.3 Å²	30.3	1%	0.014	14%	0.138	C	C	.	.	H	α-helix	trans	-100.4	5.7	176.7	68.4	0	0	0	0	114.3	I117 L118 Q123	I117-S121 PolarHBondContact O-N 2.93Å; I117-S121 PolarHBondContact O-OG 3.42Å; L118-S121 PolarHBondContact O-N 3.31Å; S121-Q123 PolarHBondContact O-N 3.44Å
122	E	87.3	Confident	86.5	Confident	154 Å²	154	24.9 Å²	24.9	72%	0.72	12%	0.117	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.9	32.4	179.1	-69.7	162.9	-145.5	0	0	113.8	L118	L118-E122 PolarHBondContact O-N 2.94Å
123	Q	88.8	Confident	86.8	Confident	6 Å²	6	27 Å²	27	3%	0.028	13%	0.126	C	C	.	.			trans	-108.8	128.4	-174.9	-178.5	177.5	17.3	0	0	110.9	H85 L118 S121 E127 F128	H85-Q123 HydrophobicContact CB-CG 4.17Å; H85-Q123 PolarHBondContact O-NE2 3.48Å; H85-Q123 PolarHBondContact O-OE1 3.4Å; L118-Q123 WeakPolarHBondContact CB-O 3.4Å; L118-Q123 HydrophobicContact CD2-CB 4.08Å; L118-Q123 HydrophobicContact CD2-CG 4.14Å; L118-Q123 PolarHBondContact O-N 3.38Å; S121-Q123 PolarHBondContact O-N 3.44Å; Q123-E127 HydrophobicContact CG-CB 4.06Å; Q123-F128 HydrophobicContact CG-CB 4.45Å; Q123-F128 VanDerWaalsContact NE2-CA 3.31Å
124	S	88.4	Confident	87	Confident	10 Å²	10	28.8 Å²	28.8	7%	0.07	13%	0.131	C	C	.	.			trans	-69.6	150.8	174.3	70.1	0	0	0	0	112	I126 E127 F128	S124-I126 PolarHBondContact O-N 3.37Å; S124-E127 WeakPolarHBondContact CB-OE2 3.12Å; S124-E127 PolarHBondContact N-OE2 2.84Å; S124-E127 VanDerWaalsContact N-OE2 3.14Å; S124-E127 PolarHBondContact O-N 3.33Å; S124-E127 VanDerWaalsContact OG-CD 3.31Å; S124-E127 VanDerWaalsContact OG-CG 3.25Å; S124-E127 WeakPolarHBondContact OG-CG 3.47Å; S124-E127 PolarHBondContact OG-N 2.99Å; S124-E127 PolarHBondContact OG-OE2 3.46Å; S124-F128 PolarHBondContact O-N 2.87Å
125	L	87.1	Confident	87.1	Confident	0 Å²	0	28.8 Å²	28.8	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-57.9	-34	179.3	-178.4	62.7	0	0	0	113	L114 L118 F128 F129 F156 L348 E361	L114-L125 HydrophobicContact CD2-CD1 3.87Å; L118-L125 HydrophobicContact CD1-CB 4.08Å; L118-L125 HydrophobicContact CD1-CD1 3.66Å; L118-L125 HydrophobicContact CD1-CG 4.49Å; L125-F128 WeakPolarHBondContact O-CB 3.34Å; L125-F128 PolarHBondContact O-N 2.91Å; L125-F129 HydrophobicContact CD1-CD2 4.22Å; L125-F129 HydrophobicContact CD1-CE2 3.53Å; L125-F129 HydrophobicContact CD1-CZ 3.88Å; L125-F129 HydrophobicContact CD2-CE2 4.24Å; L125-F129 HydrophobicContact CG-CD2 4.18Å; L125-F129 HydrophobicContact CG-CE2 3.64Å; L125-F129 HydrophobicContact CG-CZ 4.44Å; L125-F129 WeakPolarHBondContact O-CD2 3.29Å; L125-F129 PolarHBondContact O-N 3.28Å; L125-F156 HydrophobicContact CD2-CD1 4.18Å; L125-F156 HydrophobicContact CD2-CD2 3.5Å; L125-F156 VanDerWaalsContact CD2-CD2 3.5Å; L125-F156 HydrophobicContact CD2-CE1 4.17Å; L125-F156 HydrophobicContact CD2-CE2 3.52Å; L125-F156 HydrophobicContact CD2-CG 3.86Å; L125-F156 HydrophobicContact CD2-CZ 3.88Å; L125-L348 HydrophobicContact CD1-CD1 4.02Å; L125-L348 HydrophobicContact CD2-CD1 3.73Å; L125-L348 HydrophobicContact CD2-CD2 3.61Å; L125-L348 HydrophobicContact CD2-CG 4.34Å; L125-E361 PolarHBondContact N-O 2.97Å
126	I	83.4	Confident	87.2	Confident	3 Å²	3	28.3 Å²	28.3	2%	0.015	13%	0.128	C	C	.	.	H	α-helix	trans	-70	-38.7	176	-72.7	174	0	0	0	111.8	S124 F128 N130 F156 I362 L387 H390	S124-I126 PolarHBondContact O-N 3.37Å; I126-F128 VanDerWaalsContact C-N 3.34Å; I126-N130 PolarHBondContact O-N 3.34Å; I126-N130 PolarHBondContact O-ND2 3Å; I126-F156 HydrophobicContact CG1-CE1 4.42Å; I126-I362 WeakPolarHBondContact CB-O 3.47Å; I126-I362 HydrophobicContact CD1-CG2 4.2Å; I126-I362 WeakPolarHBondContact CD1-O 3.26Å; I126-I362 WeakPolarHBondContact CG1-O 3.27Å; I126-I362 PolarHBondContact N-O 2.92Å; I126-L387 HydrophobicContact CB-CD2 4.21Å; I126-L387 HydrophobicContact CD1-CD2 4.39Å; I126-L387 HydrophobicContact CG2-CD2 3.59Å; I126-H390 HydrophobicContact CG1-CB 4.49Å; I126-H390 HydrophobicContact CG2-CB 3.39Å; I126-H390 VanDerWaalsContact CG2-CG 3.48Å
127	E	84.8	Confident	87	Confident	31 Å²	31	26 Å²	26	15%	0.145	12%	0.123	C	C	.	.	H	α-helix	trans	-68.2	-35.8	173.8	-71.2	168.2	114.5	0	0	111.8	Q123 S124 N130 K131 I386	Q123-E127 HydrophobicContact CG-CB 4.06Å; S124-E127 WeakPolarHBondContact CB-OE2 3.12Å; S124-E127 PolarHBondContact N-OE2 2.84Å; S124-E127 VanDerWaalsContact N-OE2 3.14Å; S124-E127 PolarHBondContact O-N 3.33Å; S124-E127 VanDerWaalsContact OG-CD 3.31Å; S124-E127 VanDerWaalsContact OG-CG 3.25Å; S124-E127 WeakPolarHBondContact OG-CG 3.47Å; S124-E127 PolarHBondContact OG-N 2.99Å; S124-E127 PolarHBondContact OG-OE2 3.46Å; E127-N130 PolarHBondContact O-N 3.18Å; E127-K131 PolarHBondContact O-N 3.24Å; E127-I386 HydrophobicContact CG-CG2 4.49Å
128	F	90.1	Very high	86.8	Confident	0 Å²	0	26.8 Å²	26.8	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-56.3	-57.2	173.5	175.9	-98.4	0	0	0	111.8	Y92 L114 L118 Q123 S124 L125 I126 N130 K131 M132	Y92-F128 HydrophobicContact CD1-CE2 4.47Å; Y92-F128 AromaticContact CD1-CZ 3.74Å; Y92-F128 HydrophobicContact CD1-CZ 3.74Å; Y92-F128 HydrophobicContact CD2-CZ 4.14Å; Y92-F128 HydrophobicContact CE1-CZ 4.15Å; Y92-F128 HydrophobicContact CG-CE2 4.2Å; Y92-F128 AromaticContact CG-CZ 3.73Å; Y92-F128 HydrophobicContact CG-CZ 3.73Å; L114-F128 HydrophobicContact CD1-CD1 3.99Å; L114-F128 HydrophobicContact CD1-CD2 4.13Å; L114-F128 HydrophobicContact CD1-CE1 3.71Å; L114-F128 HydrophobicContact CD1-CE2 3.84Å; L114-F128 HydrophobicContact CD1-CG 4.2Å; L114-F128 HydrophobicContact CD1-CZ 3.63Å; L114-F128 HydrophobicContact CD2-CD1 3.94Å; L114-F128 HydrophobicContact CD2-CE1 3.72Å; L114-F128 HydrophobicContact CD2-CZ 4.42Å; L114-F128 HydrophobicContact CG-CE1 4.39Å; L118-F128 HydrophobicContact CD1-CB 4.26Å; L118-F128 HydrophobicContact CD2-CB 3.64Å; L118-F128 HydrophobicContact CD2-CD2 3.8Å; L118-F128 HydrophobicContact CD2-CG 3.85Å; Q123-F128 HydrophobicContact CG-CB 4.45Å; Q123-F128 VanDerWaalsContact NE2-CA 3.31Å; S124-F128 PolarHBondContact O-N 2.87Å; L125-F128 WeakPolarHBondContact O-CB 3.34Å; L125-F128 PolarHBondContact O-N 2.91Å; I126-F128 VanDerWaalsContact C-N 3.34Å; F128-N130 PolarHBondContact O-N 3.05Å; F128-N130 VanDerWaalsContact O-N 3.12Å; F128-K131 PolarHBondContact O-N 3.14Å; F128-K131 VanDerWaalsContact O-N 3.15Å; F128-M132 HydrophobicContact CE1-CB 4.18Å; F128-M132 HydrophobicContact CE1-CG 4.24Å; F128-M132 HydrophobicContact CE2-CB 4.31Å; F128-M132 HydrophobicContact CE2-CG 4.48Å; F128-M132 HydrophobicContact CE2-SD 4.25Å; F128-M132 HydrophobicContact CZ-CB 4.06Å; F128-M132 HydrophobicContact CZ-CG 3.93Å; F128-M132 HydrophobicContact CZ-SD 3.98Å; F128-M132 WeakPolarHBondContact O-CB 3.49Å; F128-M132 PolarHBondContact O-N 3.39Å
129	F	87.2	Confident	86.5	Confident	0 Å²	0	27.5 Å²	27.5	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-60.2	-29.2	-179.8	-68	-57.6	0	0	0	113.3	L125 K133 T149 L152 E153 F156	L125-F129 HydrophobicContact CD1-CD2 4.22Å; L125-F129 HydrophobicContact CD1-CE2 3.53Å; L125-F129 HydrophobicContact CD1-CZ 3.88Å; L125-F129 HydrophobicContact CD2-CE2 4.24Å; L125-F129 HydrophobicContact CG-CD2 4.18Å; L125-F129 HydrophobicContact CG-CE2 3.64Å; L125-F129 HydrophobicContact CG-CZ 4.44Å; L125-F129 WeakPolarHBondContact O-CD2 3.29Å; L125-F129 PolarHBondContact O-N 3.28Å; F129-K133 WeakPolarHBondContact O-CG 3.43Å; F129-K133 PolarHBondContact O-N 3.47Å; F129-T149 HydrophobicContact CD1-CG2 4.43Å; F129-L152 HydrophobicContact CE1-CB 4.39Å; F129-L152 HydrophobicContact CE1-CD2 4.38Å; F129-L152 HydrophobicContact CE1-CG 4.11Å; F129-L152 HydrophobicContact CZ-CG 4.12Å; F129-E153 HydrophobicContact CB-CG 4.1Å; F129-E153 HydrophobicContact CD1-CB 3.7Å; F129-E153 HydrophobicContact CD1-CG 4.02Å; F129-E153 HydrophobicContact CD2-CB 4.35Å; F129-E153 HydrophobicContact CD2-CG 4.02Å; F129-E153 HydrophobicContact CE1-CB 3.77Å; F129-E153 HydrophobicContact CE1-CG 4.45Å; F129-E153 HydrophobicContact CE2-CB 4.39Å; F129-E153 HydrophobicContact CE2-CG 4.43Å; F129-E153 HydrophobicContact CG-CB 4.02Å; F129-E153 HydrophobicContact CG-CG 3.8Å; F129-E153 HydrophobicContact CZ-CB 4.12Å; F129-F156 HydrophobicContact CD2-CD1 4.23Å; F129-F156 HydrophobicContact CE2-CB 4.19Å; F129-F156 AromaticContact CE2-CD1 3.62Å; F129-F156 HydrophobicContact CE2-CD1 3.62Å; F129-F156 HydrophobicContact CE2-CE1 4.35Å; F129-F156 HydrophobicContact CE2-CG 4.07Å; F129-F156 HydrophobicContact CZ-CB 4.38Å
130	N	83.2	Confident	86.3	Confident	15 Å²	15	28.7 Å²	28.7	8%	0.08	15%	0.146	C	C	.	.	H	α-helix	trans	-84.1	-23.3	178.5	-71.3	-63.4	0	0	0	114.7	I126 E127 F128 K134 I386 K393	I126-N130 PolarHBondContact O-N 3.34Å; I126-N130 PolarHBondContact O-ND2 3Å; E127-N130 PolarHBondContact O-N 3.18Å; F128-N130 PolarHBondContact O-N 3.05Å; F128-N130 VanDerWaalsContact O-N 3.12Å; N130-K134 WeakPolarHBondContact O-CG 3.46Å; N130-I386 HydrophobicContact CB-CG2 4.03Å; N130-K393 PolarHBondContact OD1-NZ 3.36Å
131	K	87.9	Confident	86.1	Confident	22 Å²	22	28.6 Å²	28.6	10%	0.096	15%	0.145	C	C	.	.	H	α-helix	trans	-84.4	-41.2	166.2	-84.2	-168.9	170.6	-152.1	0	111.6	E80 G81 N82 H85 W86 E127 F128 K133 K134 W135	E80-K131 PolarHBondContact O-NZ 3.21Å; G81-K131 PolarHBondContact O-NZ 3.23Å; N82-K131 PolarHBondContact O-NZ 3.33Å; H85-K131 HydrophobicContact CB-CD 3.61Å; W86-K131 HydrophobicContact CD2-CD 3.78Å; W86-K131 HydrophobicContact CD2-CG 4.33Å; W86-K131 VanDerWaalsContact CE2-NZ 3.32Å; W86-K131 HydrophobicContact CE3-CB 4.01Å; W86-K131 HydrophobicContact CE3-CD 3.93Å; W86-K131 HydrophobicContact CE3-CG 4.05Å; W86-K131 HydrophobicContact CG-CD 4.29Å; W86-K131 HydrophobicContact CH2-CB 4.46Å; W86-K131 HydrophobicContact CH2-CD 4.47Å; W86-K131 HydrophobicContact CH2-CG 4.06Å; W86-K131 HydrophobicContact CZ2-CD 4.28Å; W86-K131 HydrophobicContact CZ2-CG 4.27Å; W86-K131 HydrophobicContact CZ3-CB 3.88Å; W86-K131 HydrophobicContact CZ3-CD 4.29Å; W86-K131 HydrophobicContact CZ3-CG 3.92Å; E127-K131 PolarHBondContact O-N 3.24Å; F128-K131 PolarHBondContact O-N 3.14Å; F128-K131 VanDerWaalsContact O-N 3.15Å; K131-K133 PolarHBondContact O-N 2.86Å; K131-K134 CarbonylContact O-C 3.58Å; K131-K134 WeakPolarHBondContact O-CA 3.23Å; K131-K134 WeakPolarHBondContact O-CB 3.35Å; K131-K134 PolarHBondContact O-N 3.15Å; K131-W135 PolarHBondContact O-N 3.34Å
132	M	89.9	Confident	85.7	Confident	0 Å²	0	31.6 Å²	31.6	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-57.7	-42.4	179.8	-171.9	65.8	-153.6	0	0	112.5	C89 Y92 V93 F128 K134 W135 E136 L141 F145 T149	C89-M132 HydrophobicContact CB-SD 3.92Å; Y92-M132 HydrophobicContact CD1-CE 4.12Å; Y92-M132 HydrophobicContact CD1-SD 4.01Å; Y92-M132 HydrophobicContact CE1-CE 4.45Å; V93-M132 HydrophobicContact CG2-CE 3.56Å; V93-M132 HydrophobicContact CG2-SD 4.47Å; F128-M132 HydrophobicContact CE1-CB 4.18Å; F128-M132 HydrophobicContact CE1-CG 4.24Å; F128-M132 HydrophobicContact CE2-CB 4.31Å; F128-M132 HydrophobicContact CE2-CG 4.48Å; F128-M132 HydrophobicContact CE2-SD 4.25Å; F128-M132 HydrophobicContact CZ-CB 4.06Å; F128-M132 HydrophobicContact CZ-CG 3.93Å; F128-M132 HydrophobicContact CZ-SD 3.98Å; F128-M132 WeakPolarHBondContact O-CB 3.49Å; F128-M132 PolarHBondContact O-N 3.39Å; M132-K134 VanDerWaalsContact C-N 3.32Å; M132-K134 PolarHBondContact O-N 3.35Å; M132-W135 CarbonylContact O-C 3.52Å; M132-W135 WeakPolarHBondContact O-CA 3.27Å; M132-W135 VanDerWaalsContact O-CB 3.25Å; M132-W135 WeakPolarHBondContact O-CB 3.39Å; M132-W135 PolarHBondContact O-N 3.48Å; M132-E136 HydrophobicContact CE-CG 3.83Å; M132-E136 WeakPolarHBondContact O-CG 3.35Å; M132-E136 PolarHBondContact O-N 2.64Å; M132-L141 HydrophobicContact CE-CD1 3.96Å; M132-F145 HydrophobicContact CE-CD1 4.42Å; M132-F145 HydrophobicContact CE-CE1 3.64Å; M132-F145 HydrophobicContact CE-CZ 4.47Å; M132-T149 HydrophobicContact CG-CG2 3.84Å
133	K	85.1	Confident	85.2	Confident	49 Å²	49	29.5 Å²	29.5	21%	0.213	16%	0.164	C	C	.	.	H	α-helix	trans	-63.9	-33.1	174.2	-78	-178.4	169	-179.4	0	114	F129 K131 W135 D137 E153	F129-K133 WeakPolarHBondContact O-CG 3.43Å; F129-K133 PolarHBondContact O-N 3.47Å; K131-K133 PolarHBondContact O-N 2.86Å; K133-W135 VanDerWaalsContact C-N 3.34Å; K133-D137 PolarHBondContact O-N 3.43Å; K133-E153 IonicContact NZ-OE1 2.72Å; K133-E153 PolarHBondContact NZ-OE1 2.92Å; K133-E153 VanDerWaalsContact NZ-OE1 3.13Å; K133-E153 IonicContact NZ-OE2 2.65Å; K133-E153 PolarHBondContact NZ-OE2 3.13Å
134	K	84.8	Confident	84.7	Confident	56 Å²	56	35.1 Å²	35.1	24%	0.243	19%	0.19	C	C	.	.	H	α-helix	trans	-69.3	-37.2	170.9	-59.7	172.6	-175.7	-177.3	0	110.2	W86 N130 K131 M132 D137 M138	W86-K134 HydrophobicContact CH2-CB 3.87Å; W86-K134 HydrophobicContact CH2-CD 3.64Å; W86-K134 HydrophobicContact CH2-CG 4.43Å; W86-K134 HydrophobicContact CZ3-CB 3.97Å; W86-K134 HydrophobicContact CZ3-CD 4.4Å; N130-K134 WeakPolarHBondContact O-CG 3.46Å; K131-K134 CarbonylContact O-C 3.58Å; K131-K134 WeakPolarHBondContact O-CA 3.23Å; K131-K134 WeakPolarHBondContact O-CB 3.35Å; K131-K134 PolarHBondContact O-N 3.15Å; M132-K134 VanDerWaalsContact C-N 3.32Å; M132-K134 PolarHBondContact O-N 3.35Å; K134-D137 PolarHBondContact O-N 3.02Å; K134-M138 WeakPolarHBondContact O-CB 3.45Å; K134-M138 WeakPolarHBondContact O-CG 3.36Å; K134-M138 PolarHBondContact O-N 3.33Å
135	W	89.8	Confident	84.5	Confident	0 Å²	0	35.2 Å²	35.2	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-64.8	-43.4	177.1	-158.3	-101.8	0	0	0	112.4	Y70 M73 L79 W86 C89 A90 K131 M132 K133 D137 M138 A139	Y70-W135 AromaticContact CD2-CH2 3.89Å; Y70-W135 HydrophobicContact CD2-CH2 3.89Å; Y70-W135 HydrophobicContact CD2-CZ3 4.46Å; M73-W135 HydrophobicContact CB-CH2 3.57Å; M73-W135 HydrophobicContact CB-CZ2 4.22Å; M73-W135 HydrophobicContact CB-CZ3 3.97Å; M73-W135 HydrophobicContact CG-CH2 3.65Å; M73-W135 HydrophobicContact CG-CZ2 3.77Å; M73-W135 HydrophobicContact CG-CZ3 4.19Å; L79-W135 HydrophobicContact CD1-CZ3 4.34Å; L79-W135 HydrophobicContact CD2-CZ3 4.32Å; W86-W135 HydrophobicContact CB-CZ3 4.23Å; W86-W135 AromaticContact CE3-CE3 3.65Å; W86-W135 HydrophobicContact CE3-CE3 3.65Å; W86-W135 HydrophobicContact CE3-CZ3 4.08Å; W86-W135 HydrophobicContact CZ3-CE3 4.11Å; C89-W135 HydrophobicContact CB-CB 4.08Å; C89-W135 HydrophobicContact CB-CD2 4.17Å; C89-W135 HydrophobicContact CB-CG 3.87Å; A90-W135 HydrophobicContact CB-CH2 4.46Å; A90-W135 HydrophobicContact CB-CZ2 3.67Å; K131-W135 PolarHBondContact O-N 3.34Å; M132-W135 CarbonylContact O-C 3.52Å; M132-W135 WeakPolarHBondContact O-CA 3.27Å; M132-W135 VanDerWaalsContact O-CB 3.25Å; M132-W135 WeakPolarHBondContact O-CB 3.39Å; M132-W135 PolarHBondContact O-N 3.48Å; K133-W135 VanDerWaalsContact C-N 3.34Å; W135-D137 VanDerWaalsContact C-N 3.33Å; W135-D137 PolarHBondContact O-N 3.32Å; W135-M138 HydrophobicContact CE3-CE 3.64Å; W135-M138 HydrophobicContact CZ3-CE 4.06Å; W135-M138 PolarHBondContact O-N 3.22Å; W135-A139 VanDerWaalsContact O-CB 3.31Å; W135-A139 WeakPolarHBondContact O-CB 3.41Å; W135-A139 PolarHBondContact O-N 2.55Å
136	E	86.1	Confident	84.3	Confident	5 Å²	5	38.2 Å²	38.2	2%	0.023	20%	0.2	C	C	.	.	H	α-helix	trans	-58.6	-42.1	175.1	-78	164.7	164.8	0	0	112.6	M132 N140 L141 R146 T149	M132-E136 HydrophobicContact CE-CG 3.83Å; M132-E136 WeakPolarHBondContact O-CG 3.35Å; M132-E136 PolarHBondContact O-N 2.64Å; E136-N140 WeakPolarHBondContact O-CA 3.4Å; E136-N140 PolarHBondContact O-N 2.84Å; E136-L141 HydrophobicContact CG-CB 4.41Å; E136-L141 HydrophobicContact CG-CD1 3.88Å; E136-L141 HydrophobicContact CG-CG 4.49Å; E136-L141 PolarHBondContact O-N 2.91Å; E136-R146 HydrophobicContact CB-CG 4.3Å; E136-R146 HydrophobicContact CG-CG 4.33Å; E136-R146 VanDerWaalsContact O-CZ 3.31Å; E136-R146 PolarHBondContact O-NH2 3.07Å; E136-T149 WeakPolarHBondContact OE1-CB 3.49Å; E136-T149 WeakPolarHBondContact OE1-CG2 3.19Å; E136-T149 PolarHBondContact OE1-OG1 2.81Å
137	D	81	Confident	84.2	Confident	58 Å²	58	44.3 Å²	44.3	31%	0.31	23%	0.229	S	C	.	.	H	α-helix	trans	-66.7	-48.6	173.5	-78.3	-12.8	0	0	0	112.2	K133 K134 W135 N140 R146	K133-D137 PolarHBondContact O-N 3.43Å; K134-D137 PolarHBondContact O-N 3.02Å; W135-D137 VanDerWaalsContact C-N 3.33Å; W135-D137 PolarHBondContact O-N 3.32Å; D137-N140 PolarHBondContact O-N 3.05Å; D137-R146 IonicContact OD1-CZ 2.99Å; D137-R146 IonicContact OD1-NH1 3.97Å; D137-R146 PolarHBondContact OD1-NH1 3.4Å
138	M	84.9	Confident	84	Confident	17 Å²	17	44.4 Å²	44.4	8%	0.084	23%	0.228	C	C	.	.	H	α-helix	trans	-69.5	-45.9	-175.1	-70.3	178.4	-38.5	0	0	112.9	M73 Y77 L79 W86 K134 W135 N140	M73-M138 HydrophobicContact SD-CB 3.9Å; Y77-M138 HydrophobicContact CD1-CG 4.08Å; Y77-M138 HydrophobicContact CD1-SD 4.32Å; Y77-M138 HydrophobicContact CD2-CB 3.81Å; Y77-M138 HydrophobicContact CD2-CG 3.87Å; Y77-M138 HydrophobicContact CD2-SD 4.14Å; Y77-M138 HydrophobicContact CE1-CG 4.11Å; Y77-M138 HydrophobicContact CE2-CB 3.58Å; Y77-M138 HydrophobicContact CE2-CG 3.91Å; Y77-M138 WeakPolarHBondContact CE2-O 3.36Å; Y77-M138 HydrophobicContact CG-CB 4.4Å; Y77-M138 HydrophobicContact CG-CG 3.95Å; Y77-M138 HydrophobicContact CG-SD 3.88Å; Y77-M138 PolarHBondContact OH-O 2.67Å; L79-M138 HydrophobicContact CD2-CE 3.71Å; L79-M138 HydrophobicContact CD2-SD 4.14Å; W86-M138 HydrophobicContact CE3-CE 4.42Å; W86-M138 HydrophobicContact CH2-CE 4.07Å; W86-M138 HydrophobicContact CZ3-CE 3.81Å; K134-M138 WeakPolarHBondContact O-CB 3.45Å; K134-M138 WeakPolarHBondContact O-CG 3.36Å; K134-M138 PolarHBondContact O-N 3.33Å; W135-M138 HydrophobicContact CE3-CE 3.64Å; W135-M138 HydrophobicContact CZ3-CE 4.06Å; W135-M138 PolarHBondContact O-N 3.22Å; M138-N140 VanDerWaalsContact C-N 3.25Å; M138-N140 PolarHBondContact O-N 2.9Å
139	A	83.8	Confident	83.7	Confident	26 Å²	26	44.4 Å²	44.4	22%	0.215	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.7	8.1	179.6	0	0	0	0	0	113.4	M73 W135 L141	M73-A139 HydrophobicContact CG-CB 4.49Å; M73-A139 HydrophobicContact SD-CB 3.96Å; W135-A139 VanDerWaalsContact O-CB 3.31Å; W135-A139 WeakPolarHBondContact O-CB 3.41Å; W135-A139 PolarHBondContact O-N 2.55Å; A139-L141 HydrophobicContact CB-CD2 4.03Å; A139-L141 HydrophobicContact CB-CG 4.24Å; A139-L141 PolarHBondContact O-N 3.34Å
140	N	81.3	Confident	83.5	Confident	130 Å²	130	49.5 Å²	49.5	70%	0.695	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	46	50.4	178.7	-166.6	22.8	0	0	0	114.2	E136 D137 M138	E136-N140 WeakPolarHBondContact O-CA 3.4Å; E136-N140 PolarHBondContact O-N 2.84Å; D137-N140 PolarHBondContact O-N 3.05Å; M138-N140 VanDerWaalsContact C-N 3.25Å; M138-N140 PolarHBondContact O-N 2.9Å
141	L	84	Confident	83.4	Confident	16 Å²	16	54.5 Å²	54.5	8%	0.084	27%	0.269	C	S	.	.			trans	-68.5	145.5	-171.6	-62.4	-174.1	0	0	0	112.5	V93 M132 E136 A139 F145 R146	V93-L141 HydrophobicContact CG1-CD1 4.25Å; V93-L141 HydrophobicContact CG1-CD2 4.2Å; V93-L141 HydrophobicContact CG2-CD1 3.57Å; M132-L141 HydrophobicContact CE-CD1 3.96Å; E136-L141 HydrophobicContact CG-CB 4.41Å; E136-L141 HydrophobicContact CG-CD1 3.88Å; E136-L141 HydrophobicContact CG-CG 4.49Å; E136-L141 PolarHBondContact O-N 2.91Å; A139-L141 HydrophobicContact CB-CD2 4.03Å; A139-L141 HydrophobicContact CB-CG 4.24Å; A139-L141 PolarHBondContact O-N 3.34Å; L141-F145 HydrophobicContact CD1-CD1 3.99Å; L141-F145 HydrophobicContact CD1-CE1 4.17Å; L141-R146 PolarHBondContact O-NE 3.07Å
142	P	81.1	Confident	83.2	Confident	66 Å²	66	53.8 Å²	53.8	43%	0.429	27%	0.266	S	S	.	.			trans	-59.3	151.5	-175.9	-26.3	35.3	0	0	0	113.9	H144 F145 R146	P142-H144 VanDerWaalsContact C-N 3.33Å; P142-H144 PolarHBondContact O-N 2.72Å; P142-F145 WeakPolarHBondContact O-CB 3.35Å; P142-F145 PolarHBondContact O-N 3.33Å; P142-R146 PolarHBondContact O-N 3.22Å
143	P	75.9	Confident	82.9	Confident	109 Å²	109	54.8 Å²	54.8	71%	0.708	27%	0.271	S	S	*	.	H	α-helix	trans	-53.4	-42.3	-176.9	-29.4	36.1	0	0	0	114.8	F145 R146 E147	P143-F145 PolarHBondContact O-N 3.29Å; P143-R146 PolarHBondContact O-N 2.85Å; P143-E147 PolarHBondContact O-N 3.29Å
144	H	79	Confident	82.7	Confident	124 Å²	124	54.9 Å²	54.9	57%	0.574	27%	0.27	S	S	*	.	H	α-helix	trans	-60.6	-31.2	178.5	84.8	-92	0	0	0	112.8	P142 R148	P142-H144 VanDerWaalsContact C-N 3.33Å; P142-H144 PolarHBondContact O-N 2.72Å; H144-R148 PolarHBondContact O-N 2.69Å; H144-R148 VanDerWaalsContact O-N 3.09Å
145	F	84.6	Confident	82.6	Confident	13 Å²	13	52.9 Å²	52.9	6%	0.057	26%	0.262	C	S	.	.	H	α-helix	trans	-75.9	-44.1	179.3	-163.8	-72.8	0	0	0	110.2	Y92 V93 R96 M132 L141 P142 P143 E147 R148 T149	Y92-F145 HydrophobicContact CD1-CE1 4.48Å; Y92-F145 HydrophobicContact CD1-CZ 4.24Å; Y92-F145 HydrophobicContact CE1-CE1 4.08Å; Y92-F145 AromaticContact CE1-CZ 3.95Å; Y92-F145 HydrophobicContact CE1-CZ 3.95Å; V93-F145 HydrophobicContact CB-CZ 4.37Å; V93-F145 HydrophobicContact CG1-CZ 4.5Å; V93-F145 HydrophobicContact CG2-CE1 4.19Å; V93-F145 HydrophobicContact CG2-CZ 4.04Å; R96-F145 HydrophobicContact CB-CE2 3.75Å; R96-F145 HydrophobicContact CB-CZ 4.08Å; M132-F145 HydrophobicContact CE-CD1 4.42Å; M132-F145 HydrophobicContact CE-CE1 3.64Å; M132-F145 HydrophobicContact CE-CZ 4.47Å; L141-F145 HydrophobicContact CD1-CD1 3.99Å; L141-F145 HydrophobicContact CD1-CE1 4.17Å; P142-F145 WeakPolarHBondContact O-CB 3.35Å; P142-F145 PolarHBondContact O-N 3.33Å; P143-F145 PolarHBondContact O-N 3.29Å; F145-E147 VanDerWaalsContact C-N 3.33Å; F145-E147 PolarHBondContact O-N 2.66Å; F145-R148 WeakPolarHBondContact O-CB 3.25Å; F145-R148 PolarHBondContact O-N 3.18Å; F145-R148 VanDerWaalsContact O-N 3.11Å; F145-T149 PolarHBondContact O-N 2.9Å; F145-T149 PolarHBondContact O-OG1 3.23Å
146	R	83.1	Confident	82.4	Confident	63 Å²	63	53.2 Å²	53.2	24%	0.238	26%	0.264	C	S	.	.	H	α-helix	trans	-57.5	-47	173.9	-61.3	-179.5	-176.6	-117.9	10.3	110.6	E136 D137 L141 P142 P143 R148 T149 E150	E136-R146 HydrophobicContact CB-CG 4.3Å; E136-R146 HydrophobicContact CG-CG 4.33Å; E136-R146 VanDerWaalsContact O-CZ 3.31Å; E136-R146 PolarHBondContact O-NH2 3.07Å; D137-R146 IonicContact OD1-CZ 2.99Å; D137-R146 IonicContact OD1-NH1 3.97Å; D137-R146 PolarHBondContact OD1-NH1 3.4Å; L141-R146 PolarHBondContact O-NE 3.07Å; P142-R146 PolarHBondContact O-N 3.22Å; P143-R146 PolarHBondContact O-N 2.85Å; R146-R148 VanDerWaalsContact C-N 3.31Å; R146-R148 PolarHBondContact O-N 3.24Å; R146-T149 PolarHBondContact O-N 3.17Å; R146-E150 WeakPolarHBondContact O-CG 3.15Å; R146-E150 PolarHBondContact O-N 3.46Å
147	E	79.7	Confident	82.2	Confident	130 Å²	130	53.7 Å²	53.7	61%	0.607	27%	0.267	S	S	*	.	H	α-helix	trans	-59.2	-40	175	-173.8	179.9	-174.1	0	0	112.1	P143 F145 T149 E150 R151	P143-E147 PolarHBondContact O-N 3.29Å; F145-E147 VanDerWaalsContact C-N 3.33Å; F145-E147 PolarHBondContact O-N 2.66Å; E147-T149 PolarHBondContact O-N 3.13Å; E147-E150 PolarHBondContact O-N 2.91Å; E147-R151 VanDerWaalsContact O-CB 3.24Å; E147-R151 WeakPolarHBondContact O-CB 3.07Å; E147-R151 PolarHBondContact O-N 2.93Å
148	R	81.7	Confident	82.3	Confident	34 Å²	34	51 Å²	51	13%	0.128	25%	0.253	C	S	.	.	H	α-helix	trans	-60.1	-45.7	174.8	-167.5	-170.6	-167	121.2	5.8	111.8	E108 H144 F145 R146 L152 V345	E108-R148 IonicContact OE1-CZ 3.13Å; E108-R148 IonicContact OE1-NH1 2.81Å; E108-R148 PolarHBondContact OE1-NH1 3.31Å; E108-R148 IonicContact OE1-NH2 2.58Å; E108-R148 IonicContact OE2-CZ 2.68Å; E108-R148 VanDerWaalsContact OE2-CZ 3.24Å; E108-R148 IonicContact OE2-NH1 2.79Å; E108-R148 PolarHBondContact OE2-NH1 2.93Å; E108-R148 IonicContact OE2-NH2 2.68Å; E108-R148 PolarHBondContact OE2-NH2 3.25Å; H144-R148 PolarHBondContact O-N 2.69Å; H144-R148 VanDerWaalsContact O-N 3.09Å; F145-R148 WeakPolarHBondContact O-CB 3.25Å; F145-R148 PolarHBondContact O-N 3.18Å; F145-R148 VanDerWaalsContact O-N 3.11Å; R146-R148 VanDerWaalsContact C-N 3.31Å; R146-R148 PolarHBondContact O-N 3.24Å; R148-L152 WeakPolarHBondContact O-CB 3.42Å; R148-L152 PolarHBondContact O-N 3.23Å; R148-V345 PolarHBondContact NH2-O 2.94Å; R148-V345 VanDerWaalsContact NH2-O 3.1Å
149	T	84.6	Confident	82.4	Confident	0 Å²	0	50.2 Å²	50.2	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-68.6	-42.4	177.9	-53.9	0	0	0	0	112	F129 M132 E136 F145 R146 E147 L152 E153	F129-T149 HydrophobicContact CD1-CG2 4.43Å; M132-T149 HydrophobicContact CG-CG2 3.84Å; E136-T149 WeakPolarHBondContact OE1-CB 3.49Å; E136-T149 WeakPolarHBondContact OE1-CG2 3.19Å; E136-T149 PolarHBondContact OE1-OG1 2.81Å; F145-T149 PolarHBondContact O-N 2.9Å; F145-T149 PolarHBondContact O-OG1 3.23Å; R146-T149 PolarHBondContact O-N 3.17Å; E147-T149 PolarHBondContact O-N 3.13Å; T149-L152 WeakPolarHBondContact O-CB 3.21Å; T149-L152 PolarHBondContact O-N 2.85Å; T149-L152 VanDerWaalsContact O-N 3.13Å; T149-E153 PolarHBondContact O-N 3.3Å
150	E	81.6	Confident	82.4	Confident	106 Å²	106	50 Å²	50	50%	0.495	25%	0.247	S	C	.	.	H	α-helix	trans	-64.6	-40.1	177.1	-71.8	-167.1	147.4	0	0	111.8	R146 E147 L152 E153 R154	R146-E150 WeakPolarHBondContact O-CG 3.15Å; R146-E150 PolarHBondContact O-N 3.46Å; E147-E150 PolarHBondContact O-N 2.91Å; E150-L152 VanDerWaalsContact C-N 3.29Å; E150-L152 PolarHBondContact O-N 3.04Å; E150-E153 PolarHBondContact O-N 2.87Å; E150-R154 WeakPolarHBondContact O-CB 3.36Å; E150-R154 PolarHBondContact O-N 3.43Å
151	R	80.6	Confident	82.5	Confident	120 Å²	120	44.7 Å²	44.7	45%	0.453	22%	0.219	S	C	.	.	H	α-helix	trans	-61.9	-37.3	171.2	-173.9	170.5	66.1	-174.1	-0.2	111.7	E147 N155 D220	E147-R151 VanDerWaalsContact O-CB 3.24Å; E147-R151 WeakPolarHBondContact O-CB 3.07Å; E147-R151 PolarHBondContact O-N 2.93Å; R151-N155 WeakPolarHBondContact O-CB 3.36Å; R151-N155 PolarHBondContact O-N 3.01Å; R151-D220 WeakPolarHBondContact CD-OD2 3.16Å; R151-D220 WeakPolarHBondContact CG-OD2 3.27Å
152	L	85.1	Confident	82.7	Confident	7 Å²	7	43.9 Å²	43.9	4%	0.037	22%	0.215	C	C	.	.	H	α-helix	trans	-68.4	-45.9	177.1	-174.7	60.7	0	0	0	112.4	Y92 L114 F129 R148 T149 E150 R154 N155 F156 N347 L348	Y92-L152 WeakPolarHBondContact OH-CD2 3.17Å; L114-L152 HydrophobicContact CD2-CD2 3.83Å; F129-L152 HydrophobicContact CE1-CB 4.39Å; F129-L152 HydrophobicContact CE1-CD2 4.38Å; F129-L152 HydrophobicContact CE1-CG 4.11Å; F129-L152 HydrophobicContact CZ-CG 4.12Å; R148-L152 WeakPolarHBondContact O-CB 3.42Å; R148-L152 PolarHBondContact O-N 3.23Å; T149-L152 WeakPolarHBondContact O-CB 3.21Å; T149-L152 PolarHBondContact O-N 2.85Å; T149-L152 VanDerWaalsContact O-N 3.13Å; E150-L152 VanDerWaalsContact C-N 3.29Å; E150-L152 PolarHBondContact O-N 3.04Å; L152-R154 VanDerWaalsContact C-N 3.34Å; L152-N155 PolarHBondContact O-N 2.57Å; L152-F156 WeakPolarHBondContact O-CB 3.43Å; L152-F156 PolarHBondContact O-N 2.98Å; L152-N347 HydrophobicContact CD1-CB 4.48Å; L152-L348 HydrophobicContact CD1-CB 4.01Å
153	E	83.8	Confident	83.1	Confident	22 Å²	22	42.1 Å²	42.1	10%	0.103	20%	0.201	C	C	.	.	H	α-helix	trans	-61.2	-42	173.5	-171.4	-161.4	-134.4	0	0	110.9	F129 K133 T149 E150 T157 K393	F129-E153 HydrophobicContact CB-CG 4.1Å; F129-E153 HydrophobicContact CD1-CB 3.7Å; F129-E153 HydrophobicContact CD1-CG 4.02Å; F129-E153 HydrophobicContact CD2-CB 4.35Å; F129-E153 HydrophobicContact CD2-CG 4.02Å; F129-E153 HydrophobicContact CE1-CB 3.77Å; F129-E153 HydrophobicContact CE1-CG 4.45Å; F129-E153 HydrophobicContact CE2-CB 4.39Å; F129-E153 HydrophobicContact CE2-CG 4.43Å; F129-E153 HydrophobicContact CG-CB 4.02Å; F129-E153 HydrophobicContact CG-CG 3.8Å; F129-E153 HydrophobicContact CZ-CB 4.12Å; K133-E153 IonicContact NZ-OE1 2.72Å; K133-E153 PolarHBondContact NZ-OE1 2.92Å; K133-E153 VanDerWaalsContact NZ-OE1 3.13Å; K133-E153 IonicContact NZ-OE2 2.65Å; K133-E153 PolarHBondContact NZ-OE2 3.13Å; T149-E153 PolarHBondContact O-N 3.3Å; E150-E153 PolarHBondContact O-N 2.87Å; E153-T157 WeakPolarHBondContact O-CB 3.41Å; E153-T157 PolarHBondContact O-N 3.38Å; E153-T157 PolarHBondContact O-OG1 3.4Å; E153-K393 IonicContact OE1-NZ 3.16Å; E153-K393 PolarHBondContact OE1-NZ 3.33Å
154	R	79.6	Confident	83.6	Confident	50 Å²	50	43.3 Å²	43.3	19%	0.189	20%	0.195	C	C	.	.	H	α-helix	trans	-64.1	-49.2	176.9	-177.6	-176.6	179.4	88	15.8	112.1	E150 L152 T157 V158 D220 P546	E150-R154 WeakPolarHBondContact O-CB 3.36Å; E150-R154 PolarHBondContact O-N 3.43Å; L152-R154 VanDerWaalsContact C-N 3.34Å; R154-T157 WeakPolarHBondContact O-CB 3.28Å; R154-T157 PolarHBondContact O-N 3.02Å; R154-V158 WeakPolarHBondContact O-CG2 3.48Å; R154-V158 PolarHBondContact O-N 3.43Å; R154-D220 VanDerWaalsContact CZ-O 3.3Å; R154-D220 PolarHBondContact NE-O 3.21Å; R154-D220 PolarHBondContact NH2-O 2.62Å; R154-P546 VanDerWaalsContact CZ-O 3.32Å; R154-P546 PolarHBondContact NH1-O 3.07Å; R154-P546 PolarHBondContact NH2-O 3.27Å
155	N	83.8	Confident	83.9	Confident	15 Å²	15	38.6 Å²	38.6	8%	0.08	17%	0.173	C	C	.	.	H	α-helix	trans	-61.7	-45.2	178.8	179.8	-14.8	0	0	0	110.7	R151 L152 T157 V158 S159 K212	R151-N155 WeakPolarHBondContact O-CB 3.36Å; R151-N155 PolarHBondContact O-N 3.01Å; L152-N155 PolarHBondContact O-N 2.57Å; N155-T157 PolarHBondContact O-N 3.07Å; N155-V158 PolarHBondContact O-N 2.99Å; N155-S159 WeakPolarHBondContact O-CB 3.08Å; N155-S159 PolarHBondContact O-N 3.29Å; N155-S159 PolarHBondContact O-OG 2.86Å; N155-S159 PolarHBondContact OD1-OG 3.09Å; N155-K212 PolarHBondContact OD1-NZ 2.73Å
156	F	85.6	Confident	84.2	Confident	6 Å²	6	38 Å²	38	3%	0.026	17%	0.17	C	C	.	.	H	α-helix	trans	-55.7	-48.2	170.6	163.6	-113.7	0	0	0	112	L125 I126 F129 L152 V158 S159 A160 L348 F353 I362 H390	L125-F156 HydrophobicContact CD2-CD1 4.18Å; L125-F156 HydrophobicContact CD2-CD2 3.5Å; L125-F156 VanDerWaalsContact CD2-CD2 3.5Å; L125-F156 HydrophobicContact CD2-CE1 4.17Å; L125-F156 HydrophobicContact CD2-CE2 3.52Å; L125-F156 HydrophobicContact CD2-CG 3.86Å; L125-F156 HydrophobicContact CD2-CZ 3.88Å; I126-F156 HydrophobicContact CG1-CE1 4.42Å; F129-F156 HydrophobicContact CD2-CD1 4.23Å; F129-F156 HydrophobicContact CE2-CB 4.19Å; F129-F156 AromaticContact CE2-CD1 3.62Å; F129-F156 HydrophobicContact CE2-CD1 3.62Å; F129-F156 HydrophobicContact CE2-CE1 4.35Å; F129-F156 HydrophobicContact CE2-CG 4.07Å; F129-F156 HydrophobicContact CZ-CB 4.38Å; L152-F156 WeakPolarHBondContact O-CB 3.43Å; L152-F156 PolarHBondContact O-N 2.98Å; F156-V158 PolarHBondContact O-N 2.99Å; F156-S159 PolarHBondContact O-N 2.91Å; F156-A160 HydrophobicContact CE2-CB 4.15Å; F156-A160 HydrophobicContact CZ-CB 4.35Å; F156-A160 WeakPolarHBondContact O-CB 3.36Å; F156-A160 PolarHBondContact O-N 2.82Å; F156-L348 HydrophobicContact CB-CD2 3.91Å; F156-L348 HydrophobicContact CD2-CD2 3.6Å; F156-L348 HydrophobicContact CG-CD2 4.07Å; F156-F353 HydrophobicContact CD2-CE1 4.42Å; F156-F353 AromaticContact CD2-CZ 3.78Å; F156-F353 HydrophobicContact CD2-CZ 3.78Å; F156-F353 AromaticContact CE2-CE1 3.84Å; F156-F353 HydrophobicContact CE2-CE1 3.84Å; F156-F353 AromaticContact CE2-CZ 3.66Å; F156-F353 HydrophobicContact CE2-CZ 3.66Å; F156-I362 HydrophobicContact CE2-CG2 4.09Å; F156-I362 HydrophobicContact CZ-CG2 3.66Å; F156-H390 AromaticContact CE1-CE1 3.72Å; F156-H390 AromaticContact CE1-NE2 3.88Å
157	T	81.3	Confident	84.5	Confident	16 Å²	16	39.1 Å²	39.1	10%	0.098	18%	0.178	C	C	.	.	H	α-helix	trans	-61.6	-44.4	-179.6	-59.2	0	0	0	0	112.2	E153 R154 N155 S159 V161 L397	E153-T157 WeakPolarHBondContact O-CB 3.41Å; E153-T157 PolarHBondContact O-N 3.38Å; E153-T157 PolarHBondContact O-OG1 3.4Å; R154-T157 WeakPolarHBondContact O-CB 3.28Å; R154-T157 PolarHBondContact O-N 3.02Å; N155-T157 PolarHBondContact O-N 3.07Å; T157-S159 VanDerWaalsContact C-N 3.34Å; T157-S159 PolarHBondContact O-N 3.1Å; T157-V161 WeakPolarHBondContact O-CG2 3.17Å; T157-V161 PolarHBondContact O-N 3.14Å; T157-V161 VanDerWaalsContact O-N 3.1Å; T157-L397 HydrophobicContact CG2-CD1 4.21Å
158	V	83.1	Confident	84.9	Confident	1 Å²	1	35.8 Å²	35.8	1%	0.006	17%	0.168	C	C	.	.	H	α-helix	trans	-58	-47.9	173.8	165.3	0	0	0	0	110.3	R154 N155 F156 V161 I162 L222	R154-V158 WeakPolarHBondContact O-CG2 3.48Å; R154-V158 PolarHBondContact O-N 3.43Å; N155-V158 PolarHBondContact O-N 2.99Å; F156-V158 PolarHBondContact O-N 2.99Å; V158-V161 PolarHBondContact O-N 3.02Å; V158-I162 HydrophobicContact CG1-CD1 3.63Å; V158-I162 WeakPolarHBondContact O-CB 3.47Å; V158-I162 VanDerWaalsContact O-CG1 3.27Å; V158-I162 WeakPolarHBondContact O-CG1 3.37Å; V158-I162 PolarHBondContact O-N 3.23Å; V158-L222 HydrophobicContact CG1-CD1 4.24Å; V158-L222 HydrophobicContact CG2-CB 4.43Å
159	S	87.2	Confident	85.3	Confident	0 Å²	0	34.3 Å²	34.3	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-67.7	-40.1	-176.3	-50.1	0	0	0	0	112.3	N155 F156 T157 V161 I162 F163 K212 E350	N155-S159 WeakPolarHBondContact O-CB 3.08Å; N155-S159 PolarHBondContact O-N 3.29Å; N155-S159 PolarHBondContact O-OG 2.86Å; N155-S159 PolarHBondContact OD1-OG 3.09Å; F156-S159 PolarHBondContact O-N 2.91Å; T157-S159 VanDerWaalsContact C-N 3.34Å; T157-S159 PolarHBondContact O-N 3.1Å; S159-V161 PolarHBondContact O-N 2.61Å; S159-I162 PolarHBondContact O-N 3.37Å; S159-F163 WeakPolarHBondContact O-CB 3.31Å; S159-F163 PolarHBondContact O-N 3.01Å; S159-K212 WeakPolarHBondContact OG-CE 3.19Å; S159-K212 PolarHBondContact OG-NZ 3.13Å; S159-E350 PolarHBondContact OG-OE2 3.06Å; S159-E350 VanDerWaalsContact OG-OE2 3.07Å
160	A	84.3	Confident	85.7	Confident	21 Å²	21	34.6 Å²	34.6	17%	0.174	16%	0.163	C	C	.	.	H	α-helix	trans	-64.8	-36.9	175.3	0	0	0	0	0	112.8	F156 K164 F353	F156-A160 HydrophobicContact CE2-CB 4.15Å; F156-A160 HydrophobicContact CZ-CB 4.35Å; F156-A160 WeakPolarHBondContact O-CB 3.36Å; F156-A160 PolarHBondContact O-N 2.82Å; A160-K164 WeakPolarHBondContact O-CG 3.23Å; A160-K164 PolarHBondContact O-N 2.79Å; A160-F353 HydrophobicContact CB-CE1 3.63Å; A160-F353 HydrophobicContact CB-CZ 3.72Å
161	V	83.1	Confident	86	Confident	19 Å²	19	32.4 Å²	32.4	12%	0.115	15%	0.153	C	C	.	.	H	α-helix	trans	-70.7	-39	174.2	169.8	0	0	0	0	111.2	T157 V158 S159 K165 L222 L397 P418 V419	T157-V161 WeakPolarHBondContact O-CG2 3.17Å; T157-V161 PolarHBondContact O-N 3.14Å; T157-V161 VanDerWaalsContact O-N 3.1Å; V158-V161 PolarHBondContact O-N 3.02Å; S159-V161 PolarHBondContact O-N 2.61Å; V161-K165 PolarHBondContact O-N 3.02Å; V161-L222 HydrophobicContact CB-CD1 4.13Å; V161-L222 HydrophobicContact CG1-CD1 3.77Å; V161-L222 HydrophobicContact CG1-CD2 4.46Å; V161-L397 HydrophobicContact CG2-CD1 4.01Å; V161-P418 HydrophobicContact CG1-CB 3.99Å; V161-P418 HydrophobicContact CG1-CG 4.03Å; V161-P418 HydrophobicContact CG2-CG 4.19Å; V161-V419 HydrophobicContact CG1-CG2 3.86Å
162	I	88.3	Confident	86.4	Confident	0 Å²	0	30.6 Å²	30.6	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-70.8	-39	178.9	-71.3	172.7	0	0	0	111.3	V158 S159 K164 K165 Y166 W205 F208 L222 L229	V158-I162 HydrophobicContact CG1-CD1 3.63Å; V158-I162 WeakPolarHBondContact O-CB 3.47Å; V158-I162 VanDerWaalsContact O-CG1 3.27Å; V158-I162 WeakPolarHBondContact O-CG1 3.37Å; V158-I162 PolarHBondContact O-N 3.23Å; S159-I162 PolarHBondContact O-N 3.37Å; I162-K164 VanDerWaalsContact C-N 3.32Å; I162-K164 PolarHBondContact O-N 3.2Å; I162-K165 CarbonylContact O-C 3.48Å; I162-K165 WeakPolarHBondContact O-CA 3.27Å; I162-K165 PolarHBondContact O-N 3.4Å; I162-Y166 PolarHBondContact O-N 3.36Å; I162-W205 HydrophobicContact CG2-CH2 4.21Å; I162-W205 HydrophobicContact CG2-CZ3 4.08Å; I162-F208 HydrophobicContact CD1-CZ 4.32Å; I162-F208 HydrophobicContact CG2-CE1 3.94Å; I162-F208 HydrophobicContact CG2-CZ 3.86Å; I162-L222 HydrophobicContact CD1-CD1 4.29Å; I162-L222 HydrophobicContact CG1-CD1 4.02Å; I162-L229 HydrophobicContact CG2-CB 4.22Å; I162-L229 HydrophobicContact CG2-CD2 3.61Å; I162-L229 HydrophobicContact CG2-CG 4.39Å
163	F	89.6	Confident	86.6	Confident	28 Å²	28	30.2 Å²	30.2	12%	0.123	15%	0.151	C	C	.	.	H	α-helix	trans	-60.1	-41.5	175	-167.9	-99.6	0	0	0	112	S159 K165 Y166 E167 F201 W205 F353 L354	S159-F163 WeakPolarHBondContact O-CB 3.31Å; S159-F163 PolarHBondContact O-N 3.01Å; F163-K165 PolarHBondContact O-N 2.97Å; F163-Y166 HydrophobicContact CD2-CD1 4.07Å; F163-Y166 AromaticContact CE2-CD1 4Å; F163-Y166 HydrophobicContact CE2-CD1 4Å; F163-Y166 HydrophobicContact CE2-CE1 4.48Å; F163-Y166 WeakPolarHBondContact O-CB 3.25Å; F163-Y166 PolarHBondContact O-N 3.1Å; F163-E167 PolarHBondContact O-N 3.25Å; F163-F201 HydrophobicContact CE2-CE1 4.47Å; F163-F201 HydrophobicContact CE2-CZ 4.23Å; F163-F201 HydrophobicContact CZ-CE1 4.21Å; F163-F201 AromaticContact CZ-CZ 3.99Å; F163-F201 HydrophobicContact CZ-CZ 3.99Å; F163-W205 HydrophobicContact CB-CH2 3.71Å; F163-W205 HydrophobicContact CB-CZ2 4.08Å; F163-W205 HydrophobicContact CB-CZ3 4.17Å; F163-W205 AromaticContact CD2-CD2 3.71Å; F163-W205 HydrophobicContact CD2-CD2 3.71Å; F163-W205 AromaticContact CD2-CE2 3.67Å; F163-W205 AromaticContact CD2-CE3 3.78Å; F163-W205 HydrophobicContact CD2-CE3 3.78Å; F163-W205 HydrophobicContact CD2-CG 4.42Å; F163-W205 AromaticContact CD2-CH2 3.83Å; F163-W205 HydrophobicContact CD2-CH2 3.83Å; F163-W205 AromaticContact CD2-CZ2 3.75Å; F163-W205 HydrophobicContact CD2-CZ2 3.75Å; F163-W205 AromaticContact CD2-CZ3 3.84Å; F163-W205 HydrophobicContact CD2-CZ3 3.84Å; F163-W205 HydrophobicContact CE2-CD2 4.09Å; F163-W205 HydrophobicContact CE2-CE3 4.39Å; F163-W205 HydrophobicContact CE2-CG 4.35Å; F163-W205 HydrophobicContact CG-CH2 4.29Å; F163-W205 HydrophobicContact CG-CZ2 4.37Å; F163-F353 HydrophobicContact CB-CB 4.38Å; F163-F353 HydrophobicContact CB-CD1 4.48Å; F163-F353 HydrophobicContact CB-CG 4.25Å; F163-F353 HydrophobicContact CD1-CB 3.85Å; F163-F353 HydrophobicContact CD1-CG 4.42Å; F163-F353 HydrophobicContact CD2-CB 3.65Å; F163-F353 HydrophobicContact CD2-CG 4.34Å; F163-F353 HydrophobicContact CE1-CB 3.97Å; F163-F353 VanDerWaalsContact CE1-O 3.3Å; F163-F353 WeakPolarHBondContact CE1-O 3.46Å; F163-F353 HydrophobicContact CE2-CB 3.78Å; F163-F353 HydrophobicContact CG-CB 3.68Å; F163-F353 HydrophobicContact CG-CG 4.08Å; F163-F353 HydrophobicContact CZ-CB 3.94Å; F163-F353 WeakPolarHBondContact CZ-O 3.38Å; F163-L354 HydrophobicContact CE2-CD2 3.83Å; F163-L354 HydrophobicContact CZ-CD2 4.12Å
164	K	85.4	Confident	86.8	Confident	134 Å²	134	29.2 Å²	29.2	58%	0.583	15%	0.146	S	C	*	.	H	α-helix	trans	-66.9	-13.5	174.1	-71.2	-179.6	178.4	-175.4	0	114.7	A160 I162	A160-K164 WeakPolarHBondContact O-CG 3.23Å; A160-K164 PolarHBondContact O-N 2.79Å; I162-K164 VanDerWaalsContact C-N 3.32Å; I162-K164 PolarHBondContact O-N 3.2Å
165	K	85.8	Confident	86.9	Confident	26 Å²	26	31.1 Å²	31.1	11%	0.113	16%	0.155	C	C	.	.	H	α-helix	trans	-94.9	-32.8	166.3	-88.9	-82.4	-164.5	164.4	0	111.5	V161 I162 F163 P168 I169 Y226 H283 D284 T417 V419	V161-K165 PolarHBondContact O-N 3.02Å; I162-K165 CarbonylContact O-C 3.48Å; I162-K165 WeakPolarHBondContact O-CA 3.27Å; I162-K165 PolarHBondContact O-N 3.4Å; F163-K165 PolarHBondContact O-N 2.97Å; K165-P168 WeakPolarHBondContact O-CD 3.35Å; K165-P168 WeakPolarHBondContact O-CG 3.5Å; K165-I169 HydrophobicContact CB-CD1 4.25Å; K165-I169 HydrophobicContact CD-CD1 4.33Å; K165-I169 WeakPolarHBondContact O-CB 3.43Å; K165-I169 VanDerWaalsContact O-CD1 3.23Å; K165-I169 WeakPolarHBondContact O-CD1 3.45Å; K165-I169 WeakPolarHBondContact O-CG1 3.46Å; K165-I169 PolarHBondContact O-N 3.1Å; K165-Y226 HydrophobicContact CB-CD2 4.48Å; K165-Y226 HydrophobicContact CB-CE2 4.04Å; K165-Y226 HydrophobicContact CD-CE2 4.38Å; K165-Y226 HydrophobicContact CG-CE2 4.33Å; K165-H283 PolarHBondContact NZ-O 3.09Å; K165-H283 VanDerWaalsContact NZ-O 3.07Å; K165-D284 IonicContact NZ-OD2 3.62Å; K165-D284 PolarHBondContact NZ-OD2 2.88Å; K165-T417 VanDerWaalsContact CE-OG1 3.23Å; K165-T417 WeakPolarHBondContact CE-OG1 3.23Å; K165-V419 HydrophobicContact CG-CB 4.5Å; K165-V419 HydrophobicContact CG-CG2 4.24Å
166	Y	92.3	Very high	86.1	Confident	0 Å²	0	36.9 Å²	36.9	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-58.8	-51	-178.2	173.9	-125.7	0	0	0	112.4	I162 F163 I169 F170 F201 C204 W205 L229 L233	I162-Y166 PolarHBondContact O-N 3.36Å; F163-Y166 HydrophobicContact CD2-CD1 4.07Å; F163-Y166 AromaticContact CE2-CD1 4Å; F163-Y166 HydrophobicContact CE2-CD1 4Å; F163-Y166 HydrophobicContact CE2-CE1 4.48Å; F163-Y166 WeakPolarHBondContact O-CB 3.25Å; F163-Y166 PolarHBondContact O-N 3.1Å; Y166-I169 PolarHBondContact O-N 3.12Å; Y166-F170 HydrophobicContact CD2-CB 4.49Å; Y166-F170 HydrophobicContact CE2-CB 4.23Å; Y166-F170 AromaticContact CE2-CD2 3.83Å; Y166-F170 HydrophobicContact CE2-CD2 3.83Å; Y166-F170 HydrophobicContact CE2-CG 4.43Å; Y166-F170 AromaticContact CZ-CD2 3.87Å; Y166-F170 VanDerWaalsContact O-CB 3.29Å; Y166-F170 WeakPolarHBondContact O-CB 3.41Å; Y166-F170 PolarHBondContact O-N 3.04Å; Y166-F201 HydrophobicContact CD1-CD2 4.39Å; Y166-F201 AromaticContact CD1-CE2 3.65Å; Y166-F201 HydrophobicContact CD1-CE2 3.65Å; Y166-F201 AromaticContact CD1-CZ 3.9Å; Y166-F201 HydrophobicContact CD1-CZ 3.9Å; Y166-F201 HydrophobicContact CE1-CD1 4.45Å; Y166-F201 AromaticContact CE1-CD2 3.52Å; Y166-F201 HydrophobicContact CE1-CD2 3.52Å; Y166-F201 HydrophobicContact CE1-CE1 4.2Å; Y166-F201 AromaticContact CE1-CE2 3.2Å; Y166-F201 HydrophobicContact CE1-CE2 3.2Å; Y166-F201 HydrophobicContact CE1-CG 4.16Å; Y166-F201 AromaticContact CE1-CZ 3.59Å; Y166-F201 HydrophobicContact CE1-CZ 3.59Å; Y166-F201 AromaticContact CZ-CD2 3.74Å; Y166-F201 AromaticContact CZ-CE2 3.85Å; Y166-F201 WeakPolarHBondContact OH-CA 3.4Å; Y166-F201 PolarHBondContact OH-O 3.09Å; Y166-C204 WeakPolarHBondContact OH-CB 3.48Å; Y166-W205 HydrophobicContact CD1-CD2 4.36Å; Y166-W205 AromaticContact CD1-CE3 3.62Å; Y166-W205 HydrophobicContact CD1-CE3 3.62Å; Y166-W205 HydrophobicContact CD1-CZ3 4.26Å; Y166-W205 HydrophobicContact CE1-CB 3.88Å; Y166-W205 HydrophobicContact CE1-CE3 4.08Å; Y166-W205 AromaticContact CG-CE3 3.91Å; Y166-W205 HydrophobicContact CG-CE3 3.91Å; Y166-W205 HydrophobicContact CG-CZ3 4.22Å; Y166-L229 HydrophobicContact CD2-CD1 3.72Å; Y166-L229 HydrophobicContact CD2-CD2 4.03Å; Y166-L229 HydrophobicContact CD2-CG 4.29Å; Y166-L229 HydrophobicContact CE2-CD1 4.24Å; Y166-L229 HydrophobicContact CG-CD1 4.31Å; Y166-L229 HydrophobicContact CG-CD2 4.28Å; Y166-L233 HydrophobicContact CD2-CD2 4.22Å; Y166-L233 HydrophobicContact CE2-CD2 3.82Å; Y166-L233 HydrophobicContact CE2-CG 4.48Å
167	E	88.1	Confident	84.9	Confident	86 Å²	86	39.7 Å²	39.7	40%	0.402	20%	0.196	S	C	.	.	H	α-helix	trans	-54	-59	-178.2	176.4	-178.7	-164.1	0	0	113.8	F163 I169 F170 Q171	F163-E167 PolarHBondContact O-N 3.25Å; E167-I169 VanDerWaalsContact C-N 3.33Å; E167-I169 PolarHBondContact O-N 3.21Å; E167-F170 PolarHBondContact O-N 3.3Å; E167-Q171 WeakPolarHBondContact O-CG 3.42Å; E167-Q171 PolarHBondContact O-N 3.37Å; E167-Q171 PolarHBondContact OE1-NE2 3.01Å; E167-Q171 VanDerWaalsContact OE1-NE2 3.09Å
168	P	87.8	Confident	83.3	Confident	61 Å²	61	46.9 Å²	46.9	40%	0.396	23%	0.228	S	C	.	.	H	α-helix	trans	-65.7	-33.1	-178.8	24	-34.2	0	0	0	113	K165 F170 Q171 D172	K165-P168 WeakPolarHBondContact O-CD 3.35Å; K165-P168 WeakPolarHBondContact O-CG 3.5Å; P168-F170 VanDerWaalsContact C-N 3.35Å; P168-Q171 PolarHBondContact O-N 3.19Å; P168-D172 PolarHBondContact O-N 2.83Å
169	I	90.8	Very high	81.5	Confident	2 Å²	2	55.9 Å²	55.9	1%	0.01	27%	0.27	C	S	.	.	H	α-helix	trans	-67.3	-39.4	175.5	-62.5	169.3	0	0	0	110.3	K165 Y166 E167 D172 I173 Y226 L230 L233 L279 H283	K165-I169 HydrophobicContact CB-CD1 4.25Å; K165-I169 HydrophobicContact CD-CD1 4.33Å; K165-I169 WeakPolarHBondContact O-CB 3.43Å; K165-I169 VanDerWaalsContact O-CD1 3.23Å; K165-I169 WeakPolarHBondContact O-CD1 3.45Å; K165-I169 WeakPolarHBondContact O-CG1 3.46Å; K165-I169 PolarHBondContact O-N 3.1Å; Y166-I169 PolarHBondContact O-N 3.12Å; E167-I169 VanDerWaalsContact C-N 3.33Å; E167-I169 PolarHBondContact O-N 3.21Å; I169-D172 PolarHBondContact O-N 3.31Å; I169-I173 HydrophobicContact CG2-CD1 3.85Å; I169-I173 WeakPolarHBondContact O-CD1 3.46Å; I169-I173 VanDerWaalsContact O-CG1 3.27Å; I169-I173 WeakPolarHBondContact O-CG1 3.38Å; I169-I173 PolarHBondContact O-N 3.08Å; I169-Y226 HydrophobicContact CD1-CE2 3.77Å; I169-Y226 VanDerWaalsContact CD1-OH 3.27Å; I169-Y226 WeakPolarHBondContact CD1-OH 3.49Å; I169-L230 HydrophobicContact CD1-CD2 4.23Å; I169-L233 HydrophobicContact CB-CD1 4.34Å; I169-L233 HydrophobicContact CG2-CD1 3.55Å; I169-L279 HydrophobicContact CG2-CD2 4.49Å; I169-H283 HydrophobicContact CD1-CB 4.02Å; I169-H283 HydrophobicContact CG1-CB 4.23Å
170	F	92.3	Very high	79.4	Confident	6 Å²	6	61 Å²	61	3%	0.026	29%	0.294	C	S	.	.	H	α-helix	trans	-65.9	-39.3	176.3	-171.4	-81.6	0	0	0	111.5	Y166 E167 P168 I173 F174 V197 I200 F201 L233	Y166-F170 HydrophobicContact CD2-CB 4.49Å; Y166-F170 HydrophobicContact CE2-CB 4.23Å; Y166-F170 AromaticContact CE2-CD2 3.83Å; Y166-F170 HydrophobicContact CE2-CD2 3.83Å; Y166-F170 HydrophobicContact CE2-CG 4.43Å; Y166-F170 AromaticContact CZ-CD2 3.87Å; Y166-F170 VanDerWaalsContact O-CB 3.29Å; Y166-F170 WeakPolarHBondContact O-CB 3.41Å; Y166-F170 PolarHBondContact O-N 3.04Å; E167-F170 PolarHBondContact O-N 3.3Å; P168-F170 VanDerWaalsContact C-N 3.35Å; F170-I173 PolarHBondContact O-N 3.23Å; F170-F174 HydrophobicContact CD1-CB 4.12Å; F170-F174 HydrophobicContact CD1-CD2 4.08Å; F170-F174 AromaticContact CD2-CD2 3.73Å; F170-F174 HydrophobicContact CD2-CD2 3.73Å; F170-F174 HydrophobicContact CD2-CE2 4.11Å; F170-F174 HydrophobicContact CE1-CB 3.72Å; F170-F174 AromaticContact CE1-CD2 3.87Å; F170-F174 HydrophobicContact CE1-CD2 3.87Å; F170-F174 HydrophobicContact CE1-CG 4.1Å; F170-F174 AromaticContact CE2-CD2 3.49Å; F170-F174 HydrophobicContact CE2-CD2 3.49Å; F170-F174 VanDerWaalsContact CE2-CD2 3.49Å; F170-F174 AromaticContact CE2-CE2 3.81Å; F170-F174 HydrophobicContact CE2-CE2 3.81Å; F170-F174 HydrophobicContact CE2-CG 4.35Å; F170-F174 HydrophobicContact CG-CD2 4.01Å; F170-F174 HydrophobicContact CZ-CB 4.1Å; F170-F174 AromaticContact CZ-CD2 3.57Å; F170-F174 HydrophobicContact CZ-CD2 3.57Å; F170-F174 HydrophobicContact CZ-CE2 4.24Å; F170-F174 AromaticContact CZ-CG 3.98Å; F170-F174 HydrophobicContact CZ-CG 3.98Å; F170-F174 PolarHBondContact O-N 2.61Å; F170-V197 HydrophobicContact CE1-CG1 3.64Å; F170-V197 HydrophobicContact CZ-CG1 4.07Å; F170-I200 HydrophobicContact CE2-CG2 4.09Å; F170-I200 HydrophobicContact CZ-CB 4.43Å; F170-I200 HydrophobicContact CZ-CG2 4.02Å; F170-F201 HydrophobicContact CB-CD2 4.22Å; F170-F201 HydrophobicContact CB-CE2 4.36Å; F170-F201 HydrophobicContact CD1-CB 4.5Å; F170-F201 AromaticContact CD1-CD2 3.69Å; F170-F201 HydrophobicContact CD1-CD2 3.69Å; F170-F201 HydrophobicContact CD1-CE2 4.48Å; F170-F201 AromaticContact CD2-CD2 4Å; F170-F201 HydrophobicContact CD2-CD2 4Å; F170-F201 HydrophobicContact CE1-CB 3.91Å; F170-F201 AromaticContact CE1-CD2 3.97Å; F170-F201 HydrophobicContact CE1-CD2 3.97Å; F170-F201 HydrophobicContact CE1-CG 4.44Å; F170-F201 HydrophobicContact CE2-CB 4.16Å; F170-F201 HydrophobicContact CE2-CD2 4.26Å; F170-F201 AromaticContact CG-CD2 3.7Å; F170-F201 HydrophobicContact CG-CD2 3.7Å; F170-F201 HydrophobicContact CG-CE2 4.33Å; F170-F201 HydrophobicContact CZ-CB 3.73Å; F170-F201 HydrophobicContact CZ-CD2 4.25Å; F170-L233 HydrophobicContact CD2-CD2 4Å
171	Q	88.9	Confident	77.3	Confident	60 Å²	60	68.2 Å²	68.2	28%	0.28	32%	0.324	S	S	.	.	H	α-helix	trans	-68.6	-30.2	175.8	-67.2	173.3	17.2	0	0	113.2	E167 P168 I173 F174 Y176 N251	E167-Q171 WeakPolarHBondContact O-CG 3.42Å; E167-Q171 PolarHBondContact O-N 3.37Å; E167-Q171 PolarHBondContact OE1-NE2 3.01Å; E167-Q171 VanDerWaalsContact OE1-NE2 3.09Å; P168-Q171 PolarHBondContact O-N 3.19Å; Q171-I173 VanDerWaalsContact C-N 3.32Å; Q171-F174 CarbonylContact C-O 3.34Å; Q171-Y176 HydrophobicContact CG-CD2 4Å; Q171-N251 PolarHBondContact O-ND2 2.96Å
172	D	88.8	Confident	75.5	Confident	82 Å²	82	73.2 Å²	73.2	44%	0.439	36%	0.357	S	S	.	.	H	α-helix	trans	-67.7	-32.2	171	-95.8	6.7	0	0	0	111.9	P168 I169 F254 H283	P168-D172 PolarHBondContact O-N 2.83Å; I169-D172 PolarHBondContact O-N 3.31Å; D172-F254 WeakPolarHBondContact O-CB 3.45Å; D172-F254 WeakPolarHBondContact O-CD2 3.3Å; D172-H283 IonicContact OD2-CE1 3.35Å; D172-H283 PolarHBondContact OD2-CE1 3.4Å
173	I	88.6	Confident	73.8	Confident	0 Å²	0	78.5 Å²	78.5	0%	0	38%	0.377	C	S	.	.	H	α-helix	trans	-91.5	-39.2	-176.8	-59.4	160.7	0	0	0	112.6	I169 F170 Q171 L233 Y237 V250 N251 F254 L279	I169-I173 HydrophobicContact CG2-CD1 3.85Å; I169-I173 WeakPolarHBondContact O-CD1 3.46Å; I169-I173 VanDerWaalsContact O-CG1 3.27Å; I169-I173 WeakPolarHBondContact O-CG1 3.38Å; I169-I173 PolarHBondContact O-N 3.08Å; F170-I173 PolarHBondContact O-N 3.23Å; Q171-I173 VanDerWaalsContact C-N 3.32Å; I173-L233 HydrophobicContact CD1-CB 4.21Å; I173-L233 HydrophobicContact CD1-CD1 4.43Å; I173-L233 HydrophobicContact CD1-CD2 4.1Å; I173-Y237 HydrophobicContact CG2-CD2 3.45Å; I173-Y237 VanDerWaalsContact CG2-CD2 3.45Å; I173-Y237 HydrophobicContact CG2-CE2 4.09Å; I173-Y237 HydrophobicContact CG2-CG 4.28Å; I173-V250 WeakPolarHBondContact O-CG1 3.47Å; I173-N251 PolarHBondContact O-N 2.95Å; I173-F254 HydrophobicContact CG1-CD2 4.2Å; I173-F254 HydrophobicContact CG1-CE2 3.78Å; I173-F254 HydrophobicContact CG1-CZ 4.02Å; I173-L279 HydrophobicContact CD1-CD2 3.67Å; I173-L279 HydrophobicContact CG1-CD2 4.16Å
174	F	88.8	Confident	71.7	Confident	1 Å²	1	84.4 Å²	84.4	0%	0.004	41%	0.405	C	S	.	.	B	Isolated β-bridge	trans	-123.4	152.2	-174.3	-60.6	-75.9	0	0	0	111.1	F170 Q171 V197 V236 A240 L249 V250	F170-F174 HydrophobicContact CD1-CB 4.12Å; F170-F174 HydrophobicContact CD1-CD2 4.08Å; F170-F174 AromaticContact CD2-CD2 3.73Å; F170-F174 HydrophobicContact CD2-CD2 3.73Å; F170-F174 HydrophobicContact CD2-CE2 4.11Å; F170-F174 HydrophobicContact CE1-CB 3.72Å; F170-F174 AromaticContact CE1-CD2 3.87Å; F170-F174 HydrophobicContact CE1-CD2 3.87Å; F170-F174 HydrophobicContact CE1-CG 4.1Å; F170-F174 AromaticContact CE2-CD2 3.49Å; F170-F174 HydrophobicContact CE2-CD2 3.49Å; F170-F174 VanDerWaalsContact CE2-CD2 3.49Å; F170-F174 AromaticContact CE2-CE2 3.81Å; F170-F174 HydrophobicContact CE2-CE2 3.81Å; F170-F174 HydrophobicContact CE2-CG 4.35Å; F170-F174 HydrophobicContact CG-CD2 4.01Å; F170-F174 HydrophobicContact CZ-CB 4.1Å; F170-F174 AromaticContact CZ-CD2 3.57Å; F170-F174 HydrophobicContact CZ-CD2 3.57Å; F170-F174 HydrophobicContact CZ-CE2 4.24Å; F170-F174 AromaticContact CZ-CG 3.98Å; F170-F174 HydrophobicContact CZ-CG 3.98Å; F170-F174 PolarHBondContact O-N 2.61Å; Q171-F174 CarbonylContact C-O 3.34Å; F174-V197 HydrophobicContact CB-CG1 4.09Å; F174-V236 HydrophobicContact CE2-CG1 4.43Å; F174-V236 HydrophobicContact CZ-CG1 4Å; F174-A240 HydrophobicContact CE1-CB 3.96Å; F174-L249 WeakPolarHBondContact CA-O 3.18Å; F174-L249 HydrophobicContact CD1-CB 4.33Å; F174-V250 HydrophobicContact CD1-CG2 4.44Å; F174-V250 HydrophobicContact CE1-CG2 4.29Å
175	K	82.4	Confident	69.6	Low	89 Å²	89	87.7 Å²	87.7	39%	0.387	42%	0.423	S	S	.	.			trans	-63.5	138.8	-178.8	-68.1	176.1	-179.8	168.3	0	111.7	V197 E248 L249 V250	K175-V197 WeakPolarHBondContact O-CG1 3.31Å; K175-E248 WeakPolarHBondContact CD-O 3.37Å; K175-E248 WeakPolarHBondContact CE-O 3.31Å; K175-E248 PolarHBondContact NZ-O 2.94Å; K175-L249 PolarHBondContact N-O 3.15Å; K175-V250 WeakPolarHBondContact CE-O 3.33Å
176	Y	66.4	Low	67.9	Low	137 Å²	137	95.3 Å²	95.3	54%	0.537	45%	0.45	S	S	.	.			trans	-58.1	135.8	176.2	-167.6	-81.2	0	0	0	111.1	Q171 Q178	Q171-Y176 HydrophobicContact CG-CD2 4Å; Y176-Q178 VanDerWaalsContact C-N 3.28Å; Y176-Q178 HydrophobicContact CD1-CG 3.79Å; Y176-Q178 HydrophobicContact CE1-CG 4.41Å; Y176-Q178 PolarHBondContact O-N 2.86Å
177	P	60.9	Low	65.7	Low	64 Å²	64	99.5 Å²	99.5	42%	0.416	49%	0.486	S	S	.	.			trans	-75.2	77.1	175.7	32.5	-35.4	0	0	0	111	E179	P177-E179 PolarHBondContact O-N 2.92Å
178	Q	47.1	Very low	63.9	Low	167 Å²	167	107.8 Å²	107.8	78%	0.78	51%	0.513	S	S	*	.			trans	-75.3	119.8	166.4	-71.6	-161.6	-28.4	0	0	109.4	Y176 E180	Y176-Q178 VanDerWaalsContact C-N 3.28Å; Y176-Q178 HydrophobicContact CD1-CG 3.79Å; Y176-Q178 HydrophobicContact CE1-CG 4.41Å; Y176-Q178 PolarHBondContact O-N 2.86Å; Q178-E180 PolarHBondContact O-N 2.96Å; Q178-E180 VanDerWaalsContact O-N 3.16Å
179	E	44.3	Very low	62.1	Low	191 Å²	191	114.7 Å²	114.7	89%	0.893	54%	0.537	S	S	*	.			trans	20.1	75.9	168.2	-61.7	-173.5	145.4	0	0	115.8	P177 Q181	P177-E179 PolarHBondContact O-N 2.92Å; E179-Q181 PolarHBondContact O-N 3.4Å; E179-Q181 VanDerWaalsContact O-N 3.1Å
180	E	44.2	Very low	60.1	Low	106 Å²	106	121.9 Å²	121.9	50%	0.495	57%	0.57	S	S	.	*			trans	-59.9	115.7	163.8	-71.8	-163	149.8	0	0	108.5	Q178 R183 T196	Q178-E180 PolarHBondContact O-N 2.96Å; Q178-E180 VanDerWaalsContact O-N 3.16Å; E180-R183 IonicContact OE2-NH2 3.54Å; E180-R183 PolarHBondContact OE2-NH2 2.86Å; E180-T196 WeakPolarHBondContact OE1-CB 3.48Å; E180-T196 WeakPolarHBondContact OE1-CG2 3.44Å; E180-T196 WeakPolarHBondContact OE2-CG2 3.35Å; E180-T196 PolarHBondContact OE2-OG1 3.36Å
181	Q	40.5	Very low	58.2	Low	174 Å²	174	132.5 Å²	132.5	81%	0.813	61%	0.61	S	S	*	*			trans	-53.7	133.3	175.1	-71	-172.2	-2.4	0	0	110.1	E179 R183	E179-Q181 PolarHBondContact O-N 3.4Å; E179-Q181 VanDerWaalsContact O-N 3.1Å; Q181-R183 PolarHBondContact O-N 2.97Å; Q181-R183 VanDerWaalsContact O-N 3.16Å
182	P	44.3	Very low	56.8	Low	124 Å²	124	136.5 Å²	136.5	81%	0.805	62%	0.623	S	S	*	*			trans	-57.6	122.4	-169.8	19.8	-32.1	0	0	0	111.4	Q184	P182-Q184 PolarHBondContact O-N 3.12Å
183	R	53.4	Low	55.7	Low	111 Å²	111	138.7 Å²	138.7	42%	0.419	63%	0.63	S	S	.	*			trans	-61.9	111	-170	-58	-173.3	-160.2	158.6	19.1	110.9	E180 Q181 Q185 T196 E199	E180-R183 IonicContact OE2-NH2 3.54Å; E180-R183 PolarHBondContact OE2-NH2 2.86Å; Q181-R183 PolarHBondContact O-N 2.97Å; Q181-R183 VanDerWaalsContact O-N 3.16Å; R183-Q185 PolarHBondContact O-N 2.81Å; R183-T196 PolarHBondContact NH2-OG1 2.91Å; R183-E199 IonicContact CZ-OE1 3.5Å; R183-E199 VanDerWaalsContact CZ-OE1 3.23Å; R183-E199 IonicContact NH1-OE1 2.76Å; R183-E199 PolarHBondContact NH1-OE1 3Å; R183-E199 IonicContact NH2-OE1 3.23Å; R183-E199 PolarHBondContact NH2-OE1 3.39Å
184	Q	45	Very low	54.9	Low	152 Å²	152	141.8 Å²	141.8	71%	0.71	65%	0.651	S	S	*	*			trans	-56	124.4	172.9	-69.3	-177.5	-11.5	0	0	110.7	P182 R186	P182-Q184 PolarHBondContact O-N 3.12Å; Q184-R186 PolarHBondContact O-N 2.91Å
185	Q	42.3	Very low	54.5	Low	203 Å²	203	142 Å²	142	95%	0.949	65%	0.652	S	S	*	*			trans	-66.2	106.5	178	-64.2	-173.6	8	0	0	110.3	R183	R183-Q185 PolarHBondContact O-N 2.81Å
186	R	49.9	Very low	54.7	Low	185 Å²	185	138.4 Å²	138.4	70%	0.698	64%	0.637	S	S	*	*			trans	-100.3	152.5	175.2	-71.3	-171.1	176.9	-170.9	-0.2	112	Q184	Q184-R186 PolarHBondContact O-N 2.91Å
187	A	46.2	Very low	55.6	Low	89 Å²	89	132.8 Å²	132.8	74%	0.736	62%	0.618	S	S	*	*			trans	-64.7	158.2	-164.2	0	0	0	0	0	115.2	K189	A187-K189 PolarHBondContact O-N 3.01Å
188	R	50	Low	56.8	Low	259 Å²	259	132 Å²	132	98%	0.977	61%	0.614	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.9	21.6	-161.6	-148.4	175.4	-173.5	171.4	1.5	118.1
189	K	50.2	Low	58.8	Low	207 Å²	207	126.4 Å²	126.4	90%	0.9	59%	0.587	S	S	*	*	T	Hydrogen-bonded Turn	trans	-138	7.1	-175.5	-78	-168.2	174.8	-177.6	0	116.3	A187	A187-K189 PolarHBondContact O-N 3.01Å
190	Q	47.8	Very low	61	Low	152 Å²	152	117.4 Å²	117.4	71%	0.71	55%	0.545	S	S	*	.	S	Bend	trans	-93.8	148.4	177.4	-77.3	-172.2	-28.8	0	0	114.3
191	R	52	Low	63.3	Low	230 Å²	230	114.2 Å²	114.2	87%	0.868	53%	0.53	S	S	*	.			trans	-24.3	129.2	174.6	-161	178	-164.6	174.8	3.6	114.1	Q193	R191-Q193 PolarHBondContact O-N 3.06Å
192	R	60.5	Low	65.8	Low	144 Å²	144	108.7 Å²	108.7	54%	0.543	50%	0.504	S	S	.	.	P	Polyproline II helix	trans	-47.3	123.2	173.1	-69.1	-176.8	177.3	-146.3	-9.1	109.3	P324 G325 E329	R192-P324 WeakPolarHBondContact CB-O 3.37Å; R192-P324 WeakPolarHBondContact CD-O 3.31Å; R192-G325 PolarHBondContact NH1-O 3.19Å; R192-E329 IonicContact CZ-OE1 3.38Å; R192-E329 IonicContact NH1-OE1 3.71Å; R192-E329 PolarHBondContact NH1-OE1 3.12Å; R192-E329 IonicContact NH2-OE1 2.7Å; R192-E329 PolarHBondContact NH2-OE1 3.23Å
193	Q	64.7	Low	68.1	Low	127 Å²	127	102.9 Å²	102.9	59%	0.593	47%	0.466	S	S	*	.	P	Polyproline II helix	trans	-65.9	141.8	-174.5	-70	-174.2	-6.6	0	0	110.3	R191	R191-Q193 PolarHBondContact O-N 3.06Å
194	P	72.6	Confident	70.1	Confident	66 Å²	66	97.6 Å²	97.6	43%	0.429	45%	0.446	S	S	.	.	P	Polyproline II helix	trans	-57.3	153	159.7	-18.1	31.9	0	0	0	109.9	P324	P194-P324 HydrophobicContact CB-CG 4.32Å; P194-P324 HydrophobicContact CG-CG 4.39Å
195	C	81	Confident	72.6	Confident	4 Å²	4	90.4 Å²	90.4	3%	0.027	41%	0.412	C	S	.	.			trans	-65.2	-178.2	174.2	48.7	0	0	0	0	112.4	E199 I200 R246 F327	C195-E199 WeakPolarHBondContact CA-OE2 3.07Å; C195-E199 HydrophobicContact CB-CB 4.45Å; C195-E199 WeakPolarHBondContact CB-OE2 3.3Å; C195-I200 HydrophobicContact CB-CG1 4.46Å; C195-R246 PolarHBondContact O-NH1 2.61Å; C195-R246 PolarHBondContact O-NH2 3.11Å; C195-R246 PolarHBondContact SG-NH2 3.35Å; C195-F327 HydrophobicContact CB-CD1 3.54Å; C195-F327 HydrophobicContact CB-CE1 3.47Å; C195-F327 VanDerWaalsContact CB-CE1 3.47Å; C195-F327 HydrophobicContact CB-CG 4.12Å; C195-F327 HydrophobicContact CB-CZ 4.01Å
196	T	85.1	Confident	75.1	Confident	14 Å²	14	80.9 Å²	80.9	9%	0.086	37%	0.368	C	S	.	.			trans	-127	172	167	70.1	0	0	0	0	112.4	E180 R183 S198 E199 I200	E180-T196 WeakPolarHBondContact OE1-CB 3.48Å; E180-T196 WeakPolarHBondContact OE1-CG2 3.44Å; E180-T196 WeakPolarHBondContact OE2-CG2 3.35Å; E180-T196 PolarHBondContact OE2-OG1 3.36Å; R183-T196 PolarHBondContact NH2-OG1 2.91Å; T196-S198 VanDerWaalsContact C-N 3.3Å; T196-S198 PolarHBondContact O-N 3.4Å; T196-E199 PolarHBondContact N-OE2 3.22Å; T196-E199 PolarHBondContact O-N 3.23Å; T196-I200 WeakPolarHBondContact O-CG1 3.29Å; T196-I200 PolarHBondContact O-N 2.93Å
197	V	85.8	Confident	77.2	Confident	20 Å²	20	72 Å²	72	12%	0.121	34%	0.335	C	S	.	.	H	α-helix	trans	-64.7	-37.9	-177.8	-175.8	0	0	0	0	111	F170 F174 K175 I200 F201 L249	F170-V197 HydrophobicContact CE1-CG1 3.64Å; F170-V197 HydrophobicContact CZ-CG1 4.07Å; F174-V197 HydrophobicContact CB-CG1 4.09Å; K175-V197 WeakPolarHBondContact O-CG1 3.31Å; V197-I200 PolarHBondContact O-N 3.12Å; V197-F201 PolarHBondContact O-N 3.11Å; V197-L249 HydrophobicContact CG2-CD2 3.51Å
198	S	86.3	Confident	79.5	Confident	48 Å²	48	67.8 Å²	67.8	34%	0.336	30%	0.3	S	S	.	.	H	α-helix	trans	-61.8	-44.6	172.5	-179.1	0	0	0	0	111.9	T196 I200 F201 H202	T196-S198 VanDerWaalsContact C-N 3.3Å; T196-S198 PolarHBondContact O-N 3.4Å; S198-I200 VanDerWaalsContact C-N 3.28Å; S198-I200 PolarHBondContact O-N 2.88Å; S198-F201 WeakPolarHBondContact O-CB 3.39Å; S198-F201 PolarHBondContact O-N 3.33Å; S198-F201 VanDerWaalsContact O-N 3.15Å; S198-H202 PolarHBondContact O-N 3.17Å; S198-H202 PolarHBondContact O-ND1 3.46Å; S198-H202 PolarHBondContact OG-CE1 2.95Å
199	E	89.4	Confident	81.6	Confident	49 Å²	49	55.5 Å²	55.5	23%	0.229	25%	0.253	C	S	.	.	H	α-helix	trans	-62.2	-34.7	176	-66.4	171.7	-165	0	0	112.5	R183 C195 T196 F203 F327	R183-E199 IonicContact CZ-OE1 3.5Å; R183-E199 VanDerWaalsContact CZ-OE1 3.23Å; R183-E199 IonicContact NH1-OE1 2.76Å; R183-E199 PolarHBondContact NH1-OE1 3Å; R183-E199 IonicContact NH2-OE1 3.23Å; R183-E199 PolarHBondContact NH2-OE1 3.39Å; C195-E199 WeakPolarHBondContact CA-OE2 3.07Å; C195-E199 HydrophobicContact CB-CB 4.45Å; C195-E199 WeakPolarHBondContact CB-OE2 3.3Å; T196-E199 PolarHBondContact N-OE2 3.22Å; T196-E199 PolarHBondContact O-N 3.23Å; E199-F203 VanDerWaalsContact O-CB 3.25Å; E199-F203 WeakPolarHBondContact O-CB 3.26Å; E199-F203 PolarHBondContact O-N 3.38Å; E199-F327 HydrophobicContact CB-CE1 4.01Å; E199-F327 HydrophobicContact CB-CZ 4.14Å
200	I	90.6	Very high	83.6	Confident	1 Å²	1	46.5 Å²	46.5	1%	0.005	21%	0.214	C	C	.	.	H	α-helix	trans	-71.4	-37.8	174.8	-67.2	167.8	0	0	0	111.3	F170 C195 T196 V197 S198 F203 C204 V236 L249 L322	F170-I200 HydrophobicContact CE2-CG2 4.09Å; F170-I200 HydrophobicContact CZ-CB 4.43Å; F170-I200 HydrophobicContact CZ-CG2 4.02Å; C195-I200 HydrophobicContact CB-CG1 4.46Å; T196-I200 WeakPolarHBondContact O-CG1 3.29Å; T196-I200 PolarHBondContact O-N 2.93Å; V197-I200 PolarHBondContact O-N 3.12Å; S198-I200 VanDerWaalsContact C-N 3.28Å; S198-I200 PolarHBondContact O-N 2.88Å; I200-F203 PolarHBondContact O-N 3.35Å; I200-C204 WeakPolarHBondContact O-CB 3.47Å; I200-C204 PolarHBondContact O-N 3.26Å; I200-V236 HydrophobicContact CG2-CG1 3.6Å; I200-L249 HydrophobicContact CD1-CD1 3.41Å; I200-L249 VanDerWaalsContact CD1-CD1 3.41Å; I200-L249 HydrophobicContact CD1-CD2 4.48Å; I200-L322 HydrophobicContact CG1-CD2 4.41Å
201	F	92	Very high	85.7	Confident	40 Å²	40	39.2 Å²	39.2	18%	0.175	18%	0.18	C	C	.	.	H	α-helix	trans	-60.5	-44.4	173.8	-179.8	-99.3	0	0	0	111.5	F163 Y166 F170 V197 S198 W205 L354	F163-F201 HydrophobicContact CE2-CE1 4.47Å; F163-F201 HydrophobicContact CE2-CZ 4.23Å; F163-F201 HydrophobicContact CZ-CE1 4.21Å; F163-F201 AromaticContact CZ-CZ 3.99Å; F163-F201 HydrophobicContact CZ-CZ 3.99Å; Y166-F201 HydrophobicContact CD1-CD2 4.39Å; Y166-F201 AromaticContact CD1-CE2 3.65Å; Y166-F201 HydrophobicContact CD1-CE2 3.65Å; Y166-F201 AromaticContact CD1-CZ 3.9Å; Y166-F201 HydrophobicContact CD1-CZ 3.9Å; Y166-F201 HydrophobicContact CE1-CD1 4.45Å; Y166-F201 AromaticContact CE1-CD2 3.52Å; Y166-F201 HydrophobicContact CE1-CD2 3.52Å; Y166-F201 HydrophobicContact CE1-CE1 4.2Å; Y166-F201 AromaticContact CE1-CE2 3.2Å; Y166-F201 HydrophobicContact CE1-CE2 3.2Å; Y166-F201 HydrophobicContact CE1-CG 4.16Å; Y166-F201 AromaticContact CE1-CZ 3.59Å; Y166-F201 HydrophobicContact CE1-CZ 3.59Å; Y166-F201 AromaticContact CZ-CD2 3.74Å; Y166-F201 AromaticContact CZ-CE2 3.85Å; Y166-F201 WeakPolarHBondContact OH-CA 3.4Å; Y166-F201 PolarHBondContact OH-O 3.09Å; F170-F201 HydrophobicContact CB-CD2 4.22Å; F170-F201 HydrophobicContact CB-CE2 4.36Å; F170-F201 HydrophobicContact CD1-CB 4.5Å; F170-F201 AromaticContact CD1-CD2 3.69Å; F170-F201 HydrophobicContact CD1-CD2 3.69Å; F170-F201 HydrophobicContact CD1-CE2 4.48Å; F170-F201 AromaticContact CD2-CD2 4Å; F170-F201 HydrophobicContact CD2-CD2 4Å; F170-F201 HydrophobicContact CE1-CB 3.91Å; F170-F201 AromaticContact CE1-CD2 3.97Å; F170-F201 HydrophobicContact CE1-CD2 3.97Å; F170-F201 HydrophobicContact CE1-CG 4.44Å; F170-F201 HydrophobicContact CE2-CB 4.16Å; F170-F201 HydrophobicContact CE2-CD2 4.26Å; F170-F201 AromaticContact CG-CD2 3.7Å; F170-F201 HydrophobicContact CG-CD2 3.7Å; F170-F201 HydrophobicContact CG-CE2 4.33Å; F170-F201 HydrophobicContact CZ-CB 3.73Å; F170-F201 HydrophobicContact CZ-CD2 4.25Å; V197-F201 PolarHBondContact O-N 3.11Å; S198-F201 WeakPolarHBondContact O-CB 3.39Å; S198-F201 PolarHBondContact O-N 3.33Å; S198-F201 VanDerWaalsContact O-N 3.15Å; F201-W205 PolarHBondContact O-N 3.13Å; F201-L354 HydrophobicContact CD1-CD2 3.99Å; F201-L354 HydrophobicContact CE1-CD2 3.63Å
202	H	92.6	Very high	87.5	Confident	58 Å²	58	28.3 Å²	28.3	27%	0.269	14%	0.139	S	C	.	.	H	α-helix	trans	-66.6	-47.3	174.1	-70.3	72.7	0	0	0	111.4	S198 C204 W205 V206 F331 L354	S198-H202 PolarHBondContact O-N 3.17Å; S198-H202 PolarHBondContact O-ND1 3.46Å; S198-H202 PolarHBondContact OG-CE1 2.95Å; H202-C204 PolarHBondContact O-N 2.71Å; H202-W205 PolarHBondContact O-N 3.03Å; H202-V206 WeakPolarHBondContact O-CB 3.18Å; H202-V206 VanDerWaalsContact O-CG2 3.29Å; H202-V206 WeakPolarHBondContact O-CG2 3.17Å; H202-V206 PolarHBondContact O-N 3.34Å; H202-F331 HydrophobicContact CB-CE2 4.28Å; H202-F331 HydrophobicContact CB-CZ 3.97Å; H202-L354 HydrophobicContact CB-CD1 4.39Å
203	F	93.9	Very high	88.7	Confident	2 Å²	2	21.9 Å²	21.9	1%	0.009	12%	0.118	C	C	.	.	H	α-helix	trans	-58.3	-46	179.3	175.1	-83.8	0	0	0	112.7	E199 I200 V206 L207 V236 L311 F321 F327 F331 I334	E199-F203 VanDerWaalsContact O-CB 3.25Å; E199-F203 WeakPolarHBondContact O-CB 3.26Å; E199-F203 PolarHBondContact O-N 3.38Å; I200-F203 PolarHBondContact O-N 3.35Å; F203-V206 PolarHBondContact O-N 2.87Å; F203-L207 HydrophobicContact CE1-CB 4.34Å; F203-L207 HydrophobicContact CE1-CD2 3.87Å; F203-L207 HydrophobicContact CZ-CD2 4.34Å; F203-L207 VanDerWaalsContact O-CB 3.31Å; F203-L207 WeakPolarHBondContact O-CB 3.2Å; F203-L207 PolarHBondContact O-N 3.47Å; F203-V236 HydrophobicContact CD1-CG2 4.46Å; F203-V236 HydrophobicContact CE1-CG2 4.34Å; F203-L311 HydrophobicContact CZ-CD2 3.97Å; F203-F321 HydrophobicContact CD1-CE2 4.27Å; F203-F321 AromaticContact CE1-CD2 3.78Å; F203-F321 HydrophobicContact CE1-CD2 3.78Å; F203-F321 AromaticContact CE1-CE2 3.33Å; F203-F321 HydrophobicContact CE1-CE2 3.33Å; F203-F321 HydrophobicContact CE1-CZ 4.18Å; F203-F321 HydrophobicContact CE2-CD2 4.45Å; F203-F321 AromaticContact CZ-CD2 3.57Å; F203-F321 HydrophobicContact CZ-CD2 3.57Å; F203-F321 AromaticContact CZ-CE2 3.64Å; F203-F321 HydrophobicContact CZ-CE2 3.64Å; F203-F327 HydrophobicContact CB-CE2 3.81Å; F203-F327 HydrophobicContact CB-CZ 3.9Å; F203-F327 HydrophobicContact CD1-CE2 4.33Å; F203-F327 HydrophobicContact CD2-CD2 4.25Å; F203-F327 AromaticContact CD2-CE2 3.57Å; F203-F327 HydrophobicContact CD2-CE2 3.57Å; F203-F327 HydrophobicContact CD2-CZ 4.21Å; F203-F327 HydrophobicContact CE2-CE2 4.25Å; F203-F327 AromaticContact CG-CE2 3.64Å; F203-F327 HydrophobicContact CG-CE2 3.64Å; F203-F327 HydrophobicContact CG-CZ 4.22Å; F203-F331 HydrophobicContact CB-CD2 3.92Å; F203-F331 HydrophobicContact CB-CE2 4.13Å; F203-F331 HydrophobicContact CD2-CB 3.96Å; F203-F331 AromaticContact CD2-CD2 3.77Å; F203-F331 HydrophobicContact CD2-CD2 3.77Å; F203-F331 HydrophobicContact CD2-CG 4.24Å; F203-F331 HydrophobicContact CG-CD2 4.33Å; F203-I334 HydrophobicContact CE2-CD1 4.08Å; F203-I334 HydrophobicContact CZ-CD1 4.26Å
204	C	95.3	Very high	89.7	Confident	0 Å²	0	18.2 Å²	18.2	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-70.2	-34.5	-176.1	-173.4	0	0	0	0	111.9	Y166 I200 H202 F208 V236	Y166-C204 WeakPolarHBondContact OH-CB 3.48Å; I200-C204 WeakPolarHBondContact O-CB 3.47Å; I200-C204 PolarHBondContact O-N 3.26Å; H202-C204 PolarHBondContact O-N 2.71Å; C204-F208 WeakPolarHBondContact O-CB 3.33Å; C204-F208 PolarHBondContact O-N 2.57Å; C204-F208 VanDerWaalsContact O-N 3.08Å; C204-V236 HydrophobicContact CB-CG2 4.1Å
205	W	95.7	Very high	90.2	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-65.8	-48.3	170.8	-173.5	-108.2	0	0	0	111.6	I162 F163 Y166 F201 H202 L207 F208 I209 L229 E350 F353 L354	I162-W205 HydrophobicContact CG2-CH2 4.21Å; I162-W205 HydrophobicContact CG2-CZ3 4.08Å; F163-W205 HydrophobicContact CB-CH2 3.71Å; F163-W205 HydrophobicContact CB-CZ2 4.08Å; F163-W205 HydrophobicContact CB-CZ3 4.17Å; F163-W205 AromaticContact CD2-CD2 3.71Å; F163-W205 HydrophobicContact CD2-CD2 3.71Å; F163-W205 AromaticContact CD2-CE2 3.67Å; F163-W205 AromaticContact CD2-CE3 3.78Å; F163-W205 HydrophobicContact CD2-CE3 3.78Å; F163-W205 HydrophobicContact CD2-CG 4.42Å; F163-W205 AromaticContact CD2-CH2 3.83Å; F163-W205 HydrophobicContact CD2-CH2 3.83Å; F163-W205 AromaticContact CD2-CZ2 3.75Å; F163-W205 HydrophobicContact CD2-CZ2 3.75Å; F163-W205 AromaticContact CD2-CZ3 3.84Å; F163-W205 HydrophobicContact CD2-CZ3 3.84Å; F163-W205 HydrophobicContact CE2-CD2 4.09Å; F163-W205 HydrophobicContact CE2-CE3 4.39Å; F163-W205 HydrophobicContact CE2-CG 4.35Å; F163-W205 HydrophobicContact CG-CH2 4.29Å; F163-W205 HydrophobicContact CG-CZ2 4.37Å; Y166-W205 HydrophobicContact CD1-CD2 4.36Å; Y166-W205 AromaticContact CD1-CE3 3.62Å; Y166-W205 HydrophobicContact CD1-CE3 3.62Å; Y166-W205 HydrophobicContact CD1-CZ3 4.26Å; Y166-W205 HydrophobicContact CE1-CB 3.88Å; Y166-W205 HydrophobicContact CE1-CE3 4.08Å; Y166-W205 AromaticContact CG-CE3 3.91Å; Y166-W205 HydrophobicContact CG-CE3 3.91Å; Y166-W205 HydrophobicContact CG-CZ3 4.22Å; F201-W205 PolarHBondContact O-N 3.13Å; H202-W205 PolarHBondContact O-N 3.03Å; W205-L207 VanDerWaalsContact C-N 3.34Å; W205-L207 PolarHBondContact O-N 2.79Å; W205-F208 HydrophobicContact CD2-CD1 4.29Å; W205-F208 AromaticContact CE3-CD1 3.78Å; W205-F208 HydrophobicContact CE3-CD1 3.78Å; W205-F208 HydrophobicContact CE3-CE1 4.3Å; W205-F208 AromaticContact CH2-CD1 3.97Å; W205-F208 HydrophobicContact CH2-CD1 3.97Å; W205-F208 AromaticContact CH2-CE1 3.65Å; W205-F208 HydrophobicContact CH2-CE1 3.65Å; W205-F208 HydrophobicContact CZ2-CD1 4.45Å; W205-F208 HydrophobicContact CZ2-CE1 4.31Å; W205-F208 AromaticContact CZ3-CD1 3.61Å; W205-F208 HydrophobicContact CZ3-CD1 3.61Å; W205-F208 AromaticContact CZ3-CE1 3.66Å; W205-F208 HydrophobicContact CZ3-CE1 3.66Å; W205-F208 WeakPolarHBondContact O-CB 3.12Å; W205-F208 PolarHBondContact O-N 3.06Å; W205-F208 VanDerWaalsContact O-N 3.12Å; W205-I209 HydrophobicContact CD2-CG2 4.17Å; W205-I209 HydrophobicContact CZ2-CG2 3.8Å; W205-I209 WeakPolarHBondContact O-CG1 3.22Å; W205-I209 PolarHBondContact O-N 2.92Å; W205-L229 HydrophobicContact CE3-CD1 4.42Å; W205-L229 HydrophobicContact CZ3-CD1 4.38Å; W205-E350 PolarHBondContact NE1-O 2.89Å; W205-F353 AromaticContact CZ2-CD2 3.83Å; W205-F353 HydrophobicContact CZ2-CD2 3.83Å; W205-F353 HydrophobicContact CZ2-CE2 4.39Å; W205-L354 HydrophobicContact CB-CD1 4.26Å; W205-L354 HydrophobicContact CB-CD2 4.26Å; W205-L354 HydrophobicContact CG-CD1 4.29Å; W205-L354 HydrophobicContact CG-CD2 4.32Å; W205-L354 HydrophobicContact CG-CG 4.4Å
206	V	94.8	Very high	89.8	Confident	3 Å²	3	19.2 Å²	19.2	2%	0.018	11%	0.105	C	C	.	.	H	α-helix	trans	-62.1	-39	-180	171.8	0	0	0	0	112	H202 F203 I209 Y210 I334 R351 L354	H202-V206 WeakPolarHBondContact O-CB 3.18Å; H202-V206 VanDerWaalsContact O-CG2 3.29Å; H202-V206 WeakPolarHBondContact O-CG2 3.17Å; H202-V206 PolarHBondContact O-N 3.34Å; F203-V206 PolarHBondContact O-N 2.87Å; V206-I209 WeakPolarHBondContact O-CG1 3.43Å; V206-Y210 WeakPolarHBondContact O-CB 3.11Å; V206-Y210 PolarHBondContact O-N 3.3Å; V206-Y210 VanDerWaalsContact O-N 3.1Å; V206-I334 HydrophobicContact CG1-CG2 3.92Å; V206-R351 HydrophobicContact CG2-CG 4.24Å; V206-L354 HydrophobicContact CG2-CD1 4.25Å
207	L	95.1	Very high	88.9	Confident	0 Å²	0	22.5 Å²	22.5	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-64.7	-41.8	173.4	178.5	64.7	0	0	0	111.8	F203 W205 A211 L235 W298 I302 L305 I334	F203-L207 HydrophobicContact CE1-CB 4.34Å; F203-L207 HydrophobicContact CE1-CD2 3.87Å; F203-L207 HydrophobicContact CZ-CD2 4.34Å; F203-L207 VanDerWaalsContact O-CB 3.31Å; F203-L207 WeakPolarHBondContact O-CB 3.2Å; F203-L207 PolarHBondContact O-N 3.47Å; W205-L207 VanDerWaalsContact C-N 3.34Å; W205-L207 PolarHBondContact O-N 2.79Å; L207-A211 WeakPolarHBondContact O-CB 3.24Å; L207-A211 PolarHBondContact O-N 2.71Å; L207-A211 VanDerWaalsContact O-N 3.08Å; L207-L235 HydrophobicContact CD2-CD2 4.26Å; L207-W298 HydrophobicContact CD2-CH2 4.22Å; L207-W298 HydrophobicContact CD2-CZ2 4.27Å; L207-W298 HydrophobicContact CG-CH2 4.07Å; L207-I302 HydrophobicContact CD1-CD1 4.08Å; L207-L305 HydrophobicContact CD1-CD1 3.65Å; L207-I334 HydrophobicContact CD1-CD1 4.12Å
208	F	95.4	Very high	88.4	Confident	0 Å²	0	21.8 Å²	21.8	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-62.9	-51.9	176.7	160.8	-106.3	0	0	0	112.1	I162 C204 W205 Y210 A211 K212 S225 L228 L229 A232	I162-F208 HydrophobicContact CD1-CZ 4.32Å; I162-F208 HydrophobicContact CG2-CE1 3.94Å; I162-F208 HydrophobicContact CG2-CZ 3.86Å; C204-F208 WeakPolarHBondContact O-CB 3.33Å; C204-F208 PolarHBondContact O-N 2.57Å; C204-F208 VanDerWaalsContact O-N 3.08Å; W205-F208 HydrophobicContact CD2-CD1 4.29Å; W205-F208 AromaticContact CE3-CD1 3.78Å; W205-F208 HydrophobicContact CE3-CD1 3.78Å; W205-F208 HydrophobicContact CE3-CE1 4.3Å; W205-F208 AromaticContact CH2-CD1 3.97Å; W205-F208 HydrophobicContact CH2-CD1 3.97Å; W205-F208 AromaticContact CH2-CE1 3.65Å; W205-F208 HydrophobicContact CH2-CE1 3.65Å; W205-F208 HydrophobicContact CZ2-CD1 4.45Å; W205-F208 HydrophobicContact CZ2-CE1 4.31Å; W205-F208 AromaticContact CZ3-CD1 3.61Å; W205-F208 HydrophobicContact CZ3-CD1 3.61Å; W205-F208 AromaticContact CZ3-CE1 3.66Å; W205-F208 HydrophobicContact CZ3-CE1 3.66Å; W205-F208 WeakPolarHBondContact O-CB 3.12Å; W205-F208 PolarHBondContact O-N 3.06Å; W205-F208 VanDerWaalsContact O-N 3.12Å; F208-Y210 VanDerWaalsContact C-N 3.34Å; F208-Y210 PolarHBondContact O-N 3.12Å; F208-A211 PolarHBondContact O-N 3.01Å; F208-K212 HydrophobicContact CE1-CD 4.13Å; F208-K212 HydrophobicContact CE2-CB 4.38Å; F208-K212 HydrophobicContact CE2-CD 4.23Å; F208-K212 HydrophobicContact CZ-CB 4.5Å; F208-K212 HydrophobicContact CZ-CD 3.63Å; F208-K212 VanDerWaalsContact O-CB 3.3Å; F208-K212 WeakPolarHBondContact O-CB 3.44Å; F208-K212 PolarHBondContact O-N 2.71Å; F208-S225 VanDerWaalsContact CE2-O 3.28Å; F208-S225 WeakPolarHBondContact CE2-O 3.27Å; F208-L228 HydrophobicContact CD2-CD2 4.27Å; F208-L228 HydrophobicContact CD2-CG 4.39Å; F208-L228 HydrophobicContact CE2-CB 4.19Å; F208-L228 HydrophobicContact CE2-CD2 4.14Å; F208-L228 HydrophobicContact CE2-CG 4.43Å; F208-L229 HydrophobicContact CB-CD1 4.03Å; F208-L229 HydrophobicContact CD1-CD1 4.01Å; F208-L229 HydrophobicContact CD2-CB 3.92Å; F208-L229 HydrophobicContact CD2-CD1 4.08Å; F208-L229 HydrophobicContact CE2-CB 3.91Å; F208-L229 HydrophobicContact CG-CB 4.43Å; F208-L229 HydrophobicContact CG-CD1 3.74Å; F208-L229 HydrophobicContact CZ-CB 4.41Å; F208-A232 HydrophobicContact CB-CB 4.25Å
209	I	93	Very high	87.8	Confident	0 Å²	0	20 Å²	20	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-66.2	-34.3	-178.2	65	-174.1	0	0	0	112.2	W205 V206 G213 Y338 E350 R351	W205-I209 HydrophobicContact CD2-CG2 4.17Å; W205-I209 HydrophobicContact CZ2-CG2 3.8Å; W205-I209 WeakPolarHBondContact O-CG1 3.22Å; W205-I209 PolarHBondContact O-N 2.92Å; V206-I209 WeakPolarHBondContact O-CG1 3.43Å; I209-G213 PolarHBondContact O-N 2.69Å; I209-Y338 HydrophobicContact CB-CE2 4.12Å; I209-Y338 HydrophobicContact CD1-CD1 4.23Å; I209-Y338 HydrophobicContact CD1-CD2 4.47Å; I209-Y338 HydrophobicContact CD1-CE1 3.72Å; I209-Y338 HydrophobicContact CD1-CE2 4.01Å; I209-Y338 HydrophobicContact CG1-CD2 4.06Å; I209-Y338 HydrophobicContact CG1-CE1 4.33Å; I209-Y338 HydrophobicContact CG1-CE2 3.72Å; I209-E350 HydrophobicContact CB-CB 4.21Å; I209-E350 HydrophobicContact CD1-CB 4.02Å; I209-E350 HydrophobicContact CG2-CB 3.9Å; I209-E350 WeakPolarHBondContact CG2-OE2 3.39Å; I209-R351 HydrophobicContact CD1-CG 3.81Å
210	Y	92	Very high	86.8	Confident	18 Å²	18	18.6 Å²	18.6	7%	0.071	10%	0.097	C	C	.	.	H	α-helix	trans	-66.9	-43	174.3	-174.1	-118.7	0	0	0	112.1	V206 F208 G213 N214 Y301 L305 L310 I334 A337 Y338	V206-Y210 WeakPolarHBondContact O-CB 3.11Å; V206-Y210 PolarHBondContact O-N 3.3Å; V206-Y210 VanDerWaalsContact O-N 3.1Å; F208-Y210 VanDerWaalsContact C-N 3.34Å; F208-Y210 PolarHBondContact O-N 3.12Å; Y210-G213 PolarHBondContact O-N 3.09Å; Y210-N214 PolarHBondContact O-N 2.87Å; Y210-N214 PolarHBondContact O-ND2 3.19Å; Y210-Y301 WeakPolarHBondContact CD1-OH 3.25Å; Y210-Y301 VanDerWaalsContact CE1-OH 3.24Å; Y210-Y301 WeakPolarHBondContact CE1-OH 3.32Å; Y210-Y301 PolarHBondContact O-OH 3.13Å; Y210-L305 HydrophobicContact CD1-CD2 4.31Å; Y210-L305 HydrophobicContact CE1-CD2 3.77Å; Y210-L310 HydrophobicContact CE1-CD1 4.12Å; Y210-I334 HydrophobicContact CD1-CG2 4.13Å; Y210-I334 HydrophobicContact CG-CG2 4.3Å; Y210-A337 HydrophobicContact CE1-CB 4.45Å; Y210-A337 HydrophobicContact CE2-CB 3.99Å; Y210-A337 WeakPolarHBondContact CE2-O 3.2Å; Y210-Y338 HydrophobicContact CD2-CD2 4.06Å
211	A	91.4	Very high	86.4	Confident	0 Å²	0	19.1 Å²	19.1	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-63.6	-46.8	173.7	0	0	0	0	0	111.9	L207 F208 G213 N214 F215 L228 W298 Y301	L207-A211 WeakPolarHBondContact O-CB 3.24Å; L207-A211 PolarHBondContact O-N 2.71Å; L207-A211 VanDerWaalsContact O-N 3.08Å; F208-A211 PolarHBondContact O-N 3.01Å; A211-G213 VanDerWaalsContact C-N 3.32Å; A211-G213 PolarHBondContact O-N 3.01Å; A211-N214 WeakPolarHBondContact O-CB 3.47Å; A211-N214 PolarHBondContact O-N 2.67Å; A211-F215 WeakPolarHBondContact O-CD2 3.27Å; A211-L228 HydrophobicContact CB-CD2 4.38Å; A211-W298 HydrophobicContact CB-CE3 4.29Å; A211-W298 HydrophobicContact CB-CH2 4.41Å; A211-W298 HydrophobicContact CB-CZ3 3.56Å; A211-Y301 HydrophobicContact CB-CD1 3.96Å; A211-Y301 HydrophobicContact CB-CE1 3.57Å
212	K	90.3	Very high	86	Confident	0 Å²	0	17.4 Å²	17.4	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-55.6	-44.1	176.1	172.8	170.7	156.6	-81.5	0	112.1	N155 S159 F208 N214 F215 L228 E350	N155-K212 PolarHBondContact OD1-NZ 2.73Å; S159-K212 WeakPolarHBondContact OG-CE 3.19Å; S159-K212 PolarHBondContact OG-NZ 3.13Å; F208-K212 HydrophobicContact CE1-CD 4.13Å; F208-K212 HydrophobicContact CE2-CB 4.38Å; F208-K212 HydrophobicContact CE2-CD 4.23Å; F208-K212 HydrophobicContact CZ-CB 4.5Å; F208-K212 HydrophobicContact CZ-CD 3.63Å; F208-K212 VanDerWaalsContact O-CB 3.3Å; F208-K212 WeakPolarHBondContact O-CB 3.44Å; F208-K212 PolarHBondContact O-N 2.71Å; K212-N214 PolarHBondContact O-N 2.74Å; K212-F215 PolarHBondContact O-N 3.36Å; K212-L228 HydrophobicContact CB-CD2 4Å; K212-E350 IonicContact NZ-OE1 3.13Å; K212-E350 PolarHBondContact NZ-OE1 3.35Å; K212-E350 IonicContact NZ-OE2 3.73Å; K212-E350 PolarHBondContact NZ-OE2 3.47Å
213	G	86	Confident	85.8	Confident	10 Å²	10	14.7 Å²	14.7	10%	0.103	8%	0.081	C	C	.	.	H	α-helix	trans	-63.6	-18.3	176.7	0	0	0	0	0	115.1	I209 Y210 A211 Y341	I209-G213 PolarHBondContact O-N 2.69Å; Y210-G213 PolarHBondContact O-N 3.09Å; A211-G213 VanDerWaalsContact C-N 3.32Å; A211-G213 PolarHBondContact O-N 3.01Å; G213-Y341 VanDerWaalsContact CA-OH 3.25Å; G213-Y341 WeakPolarHBondContact CA-OH 3.24Å; G213-Y341 WeakPolarHBondContact O-CE2 3.25Å; G213-Y341 VanDerWaalsContact O-CZ 3.31Å; G213-Y341 PolarHBondContact O-OH 2.94Å
214	N	85.1	Confident	85.5	Confident	50 Å²	50	16 Å²	16	27%	0.267	9%	0.087	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.7	-2.6	174.5	-78.1	-108.1	0	0	0	113.3	Y210 A211 K212 Y301	Y210-N214 PolarHBondContact O-N 2.87Å; Y210-N214 PolarHBondContact O-ND2 3.19Å; A211-N214 WeakPolarHBondContact O-CB 3.47Å; A211-N214 PolarHBondContact O-N 2.67Å; K212-N214 PolarHBondContact O-N 2.74Å; N214-Y301 HydrophobicContact CB-CD2 4.3Å; N214-Y301 HydrophobicContact CB-CE2 3.48Å; N214-Y301 VanDerWaalsContact CB-CE2 3.48Å; N214-Y301 VanDerWaalsContact CG-CE2 3.48Å; N214-Y301 PolarHBondContact ND2-OH 2.97Å
215	F	82.8	Confident	85.3	Confident	34 Å²	34	16 Å²	16	15%	0.149	9%	0.087	C	C	.	.			trans	-130.4	83.7	-176.8	-64.7	-59.2	0	0	0	112.1	A211 K212 M217 I218 S219 F297 Y301	A211-F215 WeakPolarHBondContact O-CD2 3.27Å; K212-F215 PolarHBondContact O-N 3.36Å; F215-M217 PolarHBondContact O-N 2.88Å; F215-M217 VanDerWaalsContact O-N 3.15Å; F215-I218 HydrophobicContact CB-CB 3.86Å; F215-I218 HydrophobicContact CB-CD1 3.91Å; F215-I218 HydrophobicContact CB-CG1 3.98Å; F215-I218 HydrophobicContact CD2-CD1 4.16Å; F215-I218 HydrophobicContact CG-CD1 4.03Å; F215-I218 WeakPolarHBondContact O-CA 3.38Å; F215-I218 PolarHBondContact O-N 3.37Å; F215-S219 PolarHBondContact O-N 3.48Å; F215-F297 HydrophobicContact CD1-CD1 4.17Å; F215-F297 HydrophobicContact CE1-CB 4.4Å; F215-F297 AromaticContact CE1-CD1 3.99Å; F215-F297 HydrophobicContact CE1-CD1 3.99Å; F215-F297 HydrophobicContact CE2-CB 4.38Å; F215-F297 HydrophobicContact CZ-CB 4.02Å; F215-F297 HydrophobicContact CZ-CD1 4.45Å; F215-Y301 HydrophobicContact CE2-CD2 4.26Å; F215-Y301 HydrophobicContact CE2-CG 4.09Å; F215-Y301 HydrophobicContact CZ-CD2 4.1Å; F215-Y301 HydrophobicContact CZ-CG 4.09Å
216	P	72.9	Confident	85.1	Confident	57 Å²	57	16 Å²	16	37%	0.37	9%	0.087	S	C	.	.	H	α-helix	trans	-56.7	-31.7	180	-26.6	35.5	0	0	0	114.4	I218 S219	P216-I218 PolarHBondContact O-N 3.08Å; P216-S219 WeakPolarHBondContact CA-OG 3.4Å; P216-S219 PolarHBondContact O-OG 2.93Å
217	M	67.4	Low	85.1	Confident	83 Å²	83	15.8 Å²	15.8	41%	0.409	9%	0.086	S	C	.	.	H	α-helix	trans	-72.2	-12.4	176.7	-54.5	-57.8	166.4	0	0	113.4	F215 A484	F215-M217 PolarHBondContact O-N 2.88Å; F215-M217 VanDerWaalsContact O-N 3.15Å; M217-A484 HydrophobicContact CE-CB 4.29Å
218	I	74.3	Confident	85.1	Confident	5 Å²	5	15.8 Å²	15.8	3%	0.026	9%	0.086	C	C	.	.	H	α-helix	trans	-106.9	-38.6	178	-60.8	-179.4	0	0	0	110.7	F215 P216 D220 D221 N224 S225 L228 F297	F215-I218 HydrophobicContact CB-CB 3.86Å; F215-I218 HydrophobicContact CB-CD1 3.91Å; F215-I218 HydrophobicContact CB-CG1 3.98Å; F215-I218 HydrophobicContact CD2-CD1 4.16Å; F215-I218 HydrophobicContact CG-CD1 4.03Å; F215-I218 WeakPolarHBondContact O-CA 3.38Å; F215-I218 PolarHBondContact O-N 3.37Å; P216-I218 PolarHBondContact O-N 3.08Å; I218-D220 PolarHBondContact O-N 3.22Å; I218-D220 VanDerWaalsContact O-N 3.15Å; I218-D221 PolarHBondContact O-N 3.01Å; I218-D221 VanDerWaalsContact O-N 3.11Å; I218-D221 VanDerWaalsContact O-O 3.09Å; I218-N224 HydrophobicContact CB-CB 4.49Å; I218-N224 HydrophobicContact CG1-CB 4.4Å; I218-N224 HydrophobicContact CG2-CB 3.99Å; I218-S225 PolarHBondContact O-OG 3.36Å; I218-L228 HydrophobicContact CG2-CB 4.3Å; I218-L228 HydrophobicContact CG2-CD2 4.1Å; I218-F297 HydrophobicContact CD1-CB 4.31Å; I218-F297 HydrophobicContact CD1-CD1 3.9Å; I218-F297 HydrophobicContact CD1-CE1 4.45Å; I218-F297 HydrophobicContact CD1-CG 4.11Å
219	S	73.7	Confident	85.1	Confident	10 Å²	10	15.8 Å²	15.8	7%	0.07	9%	0.086	C	C	.	.	H	α-helix	trans	-56.6	-32.5	-175.4	59.6	0	0	0	0	114.7	F215 P216	F215-S219 PolarHBondContact O-N 3.48Å; P216-S219 WeakPolarHBondContact CA-OG 3.4Å; P216-S219 PolarHBondContact O-OG 2.93Å
220	D	69.6	Low	85.2	Confident	19 Å²	19	15.8 Å²	15.8	10%	0.102	9%	0.086	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96	-3	-173.8	-65.8	18.8	0	0	0	112.6	R151 R154 I218	R151-D220 WeakPolarHBondContact CD-OD2 3.16Å; R151-D220 WeakPolarHBondContact CG-OD2 3.27Å; R154-D220 VanDerWaalsContact CZ-O 3.3Å; R154-D220 PolarHBondContact NE-O 3.21Å; R154-D220 PolarHBondContact NH2-O 2.62Å; I218-D220 PolarHBondContact O-N 3.22Å; I218-D220 VanDerWaalsContact O-N 3.15Å
221	D	80.8	Confident	85.4	Confident	12 Å²	12	15 Å²	15	6%	0.064	8%	0.083	C	C	.	.			trans	-111.5	118.7	-178.2	-175.1	-51.7	0	0	0	109.8	I218 V223 N224 S225	I218-D221 PolarHBondContact O-N 3.01Å; I218-D221 VanDerWaalsContact O-N 3.11Å; I218-D221 VanDerWaalsContact O-O 3.09Å; D221-V223 VanDerWaalsContact C-N 3.34Å; D221-V223 PolarHBondContact O-N 2.67Å; D221-V223 WeakPolarHBondContact OD1-CA 3.49Å; D221-V223 PolarHBondContact OD1-N 2.7Å; D221-N224 HydrophobicContact CB-CB 4.07Å; D221-N224 PolarHBondContact OD1-N 3.06Å; D221-N224 PolarHBondContact OD2-ND2 3.18Å; D221-S225 VanDerWaalsContact O-CB 3.22Å; D221-S225 WeakPolarHBondContact O-CB 3.18Å; D221-S225 PolarHBondContact O-N 3.25Å; D221-S225 PolarHBondContact O-OG 3.34Å
222	L	85	Confident	85.6	Confident	4 Å²	4	15 Å²	15	2%	0.021	8%	0.083	C	C	.	.	H	α-helix	trans	-64.9	-37	-177.3	-178.7	67.4	0	0	0	112.7	V158 V161 I162 Y226 L397 P418 V419 A422	V158-L222 HydrophobicContact CG1-CD1 4.24Å; V158-L222 HydrophobicContact CG2-CB 4.43Å; V161-L222 HydrophobicContact CB-CD1 4.13Å; V161-L222 HydrophobicContact CG1-CD1 3.77Å; V161-L222 HydrophobicContact CG1-CD2 4.46Å; I162-L222 HydrophobicContact CD1-CD1 4.29Å; I162-L222 HydrophobicContact CG1-CD1 4.02Å; L222-Y226 WeakPolarHBondContact O-CB 3.28Å; L222-Y226 PolarHBondContact O-N 3.48Å; L222-L397 HydrophobicContact CD2-CD1 4.01Å; L222-L397 HydrophobicContact CD2-CD2 4.23Å; L222-P418 HydrophobicContact CD2-CB 4.17Å; L222-V419 HydrophobicContact CD1-CG2 4.05Å; L222-V419 HydrophobicContact CD2-CG2 4.21Å; L222-V419 HydrophobicContact CG-CG2 4.11Å; L222-A422 HydrophobicContact CD2-CB 4.29Å
223	V	86.9	Confident	85.8	Confident	2 Å²	2	15 Å²	15	1%	0.012	8%	0.083	C	C	.	.	H	α-helix	trans	-75.9	-50.1	-175.6	176.4	0	0	0	0	109.1	D221 S225 Y226 H227 L286 A422 T423 L426	D221-V223 VanDerWaalsContact C-N 3.34Å; D221-V223 PolarHBondContact O-N 2.67Å; D221-V223 WeakPolarHBondContact OD1-CA 3.49Å; D221-V223 PolarHBondContact OD1-N 2.7Å; V223-S225 PolarHBondContact O-N 3.27Å; V223-Y226 WeakPolarHBondContact O-CB 3.45Å; V223-Y226 PolarHBondContact O-N 2.93Å; V223-Y226 VanDerWaalsContact O-N 3.13Å; V223-H227 PolarHBondContact O-N 3.48Å; V223-H227 PolarHBondContact O-ND1 3.27Å; V223-H227 VanDerWaalsContact O-ND1 3.16Å; V223-L286 HydrophobicContact CG1-CD1 4.45Å; V223-A422 HydrophobicContact CG2-CB 3.62Å; V223-T423 HydrophobicContact CG1-CG2 4.15Å; V223-T423 HydrophobicContact CG2-CG2 4.23Å; V223-L426 HydrophobicContact CG1-CD2 4.28Å
224	N	88.9	Confident	86.2	Confident	28 Å²	28	14.9 Å²	14.9	15%	0.15	8%	0.08	C	C	.	.	H	α-helix	trans	-65.4	-40.9	-179.9	-61.1	-28.2	0	0	0	111.5	I218 D221 Y226 H227 L228 I293	I218-N224 HydrophobicContact CB-CB 4.49Å; I218-N224 HydrophobicContact CG1-CB 4.4Å; I218-N224 HydrophobicContact CG2-CB 3.99Å; D221-N224 HydrophobicContact CB-CB 4.07Å; D221-N224 PolarHBondContact OD1-N 3.06Å; D221-N224 PolarHBondContact OD2-ND2 3.18Å; N224-Y226 VanDerWaalsContact C-N 3.34Å; N224-H227 PolarHBondContact O-N 3.32Å; N224-L228 WeakPolarHBondContact O-CB 3.43Å; N224-L228 PolarHBondContact O-N 3.42Å; N224-I293 HydrophobicContact CB-CD1 3.92Å
225	S	90.4	Very high	86.6	Confident	0 Å²	0	13.4 Å²	13.4	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-65.4	-35.8	172.9	-79.7	0	0	0	0	112.2	F208 I218 D221 V223 L228 L229	F208-S225 VanDerWaalsContact CE2-O 3.28Å; F208-S225 WeakPolarHBondContact CE2-O 3.27Å; I218-S225 PolarHBondContact O-OG 3.36Å; D221-S225 VanDerWaalsContact O-CB 3.22Å; D221-S225 WeakPolarHBondContact O-CB 3.18Å; D221-S225 PolarHBondContact O-N 3.25Å; D221-S225 PolarHBondContact O-OG 3.34Å; V223-S225 PolarHBondContact O-N 3.27Å; S225-L228 WeakPolarHBondContact O-CB 3.3Å; S225-L228 PolarHBondContact O-N 3.12Å; S225-L229 PolarHBondContact O-N 3.08Å
226	Y	92.4	Very high	87	Confident	0 Å²	0	11.8 Å²	11.8	0%	0	7%	0.065	C	C	.	.	H	α-helix	trans	-65.9	-42.3	174.4	176.9	-115.4	0	0	0	112	K165 I169 L222 V223 N224 L228 L229 L230 H283 V419	K165-Y226 HydrophobicContact CB-CD2 4.48Å; K165-Y226 HydrophobicContact CB-CE2 4.04Å; K165-Y226 HydrophobicContact CD-CE2 4.38Å; K165-Y226 HydrophobicContact CG-CE2 4.33Å; I169-Y226 HydrophobicContact CD1-CE2 3.77Å; I169-Y226 VanDerWaalsContact CD1-OH 3.27Å; I169-Y226 WeakPolarHBondContact CD1-OH 3.49Å; L222-Y226 WeakPolarHBondContact O-CB 3.28Å; L222-Y226 PolarHBondContact O-N 3.48Å; V223-Y226 WeakPolarHBondContact O-CB 3.45Å; V223-Y226 PolarHBondContact O-N 2.93Å; V223-Y226 VanDerWaalsContact O-N 3.13Å; N224-Y226 VanDerWaalsContact C-N 3.34Å; Y226-L228 VanDerWaalsContact C-N 3.33Å; Y226-L228 PolarHBondContact O-N 2.9Å; Y226-L229 WeakPolarHBondContact O-CB 3.37Å; Y226-L229 PolarHBondContact O-N 2.77Å; Y226-L230 HydrophobicContact CE1-CD1 3.95Å; Y226-L230 HydrophobicContact CE1-CG 4.32Å; Y226-L230 HydrophobicContact CE2-CD2 4.14Å; Y226-L230 HydrophobicContact CE2-CG 4.45Å; Y226-L230 PolarHBondContact O-N 3.1Å; Y226-L230 VanDerWaalsContact O-N 3.08Å; Y226-H283 WeakPolarHBondContact OH-CB 3.33Å; Y226-H283 PolarHBondContact OH-O 3Å; Y226-V419 HydrophobicContact CD1-CG1 3.36Å; Y226-V419 HydrophobicContact CD2-CG1 4.08Å; Y226-V419 HydrophobicContact CD2-CG2 4.45Å; Y226-V419 HydrophobicContact CE1-CG1 3.63Å; Y226-V419 HydrophobicContact CE2-CG1 4.33Å; Y226-V419 HydrophobicContact CG-CG1 3.6Å; Y226-V419 HydrophobicContact CG-CG2 4.38Å
227	H	93.8	Very high	87.9	Confident	0 Å²	0	9.3 Å²	9.3	0%	0	5%	0.048	C	C	.	.	H	α-helix	trans	-62.9	-37.5	172.9	-72.8	133.6	0	0	0	113	V223 N224 L229 L230 C231 L286 A290 I293	V223-H227 PolarHBondContact O-N 3.48Å; V223-H227 PolarHBondContact O-ND1 3.27Å; V223-H227 VanDerWaalsContact O-ND1 3.16Å; N224-H227 PolarHBondContact O-N 3.32Å; H227-L229 VanDerWaalsContact C-N 3.32Å; H227-L229 PolarHBondContact O-N 2.84Å; H227-L230 PolarHBondContact O-N 2.84Å; H227-C231 PolarHBondContact O-N 3.45Å; H227-C231 PolarHBondContact O-SG 2.92Å; H227-L286 PolarHBondContact NE2-N 2.95Å; H227-L286 VanDerWaalsContact NE2-N 3.13Å; H227-L286 PolarHBondContact NE2-O 3.11Å; H227-A290 VanDerWaalsContact CD2-CB 3.45Å; H227-A290 WeakPolarHBondContact CD2-CB 3.25Å; H227-I293 HydrophobicContact CB-CD1 3.54Å
228	L	94.7	Very high	88.9	Confident	0 Å²	0	5.4 Å²	5.4	0%	0	3%	0.029	C	C	.	.	H	α-helix	trans	-61.6	-39.4	173.7	-166.5	76.7	0	0	0	111.4	F208 A211 K212 I218 N224 S225 Y226 C231 A232 I293 W298	F208-L228 HydrophobicContact CD2-CD2 4.27Å; F208-L228 HydrophobicContact CD2-CG 4.39Å; F208-L228 HydrophobicContact CE2-CB 4.19Å; F208-L228 HydrophobicContact CE2-CD2 4.14Å; F208-L228 HydrophobicContact CE2-CG 4.43Å; A211-L228 HydrophobicContact CB-CD2 4.38Å; K212-L228 HydrophobicContact CB-CD2 4Å; I218-L228 HydrophobicContact CG2-CB 4.3Å; I218-L228 HydrophobicContact CG2-CD2 4.1Å; N224-L228 WeakPolarHBondContact O-CB 3.43Å; N224-L228 PolarHBondContact O-N 3.42Å; S225-L228 WeakPolarHBondContact O-CB 3.3Å; S225-L228 PolarHBondContact O-N 3.12Å; Y226-L228 VanDerWaalsContact C-N 3.33Å; Y226-L228 PolarHBondContact O-N 2.9Å; L228-C231 WeakPolarHBondContact O-CB 3.39Å; L228-C231 PolarHBondContact O-N 3.44Å; L228-A232 PolarHBondContact O-N 2.89Å; L228-I293 HydrophobicContact CB-CG2 4.43Å; L228-I293 HydrophobicContact CD1-CG2 3.92Å; L228-W298 HydrophobicContact CD1-CE3 3.66Å; L228-W298 HydrophobicContact CD1-CZ3 4.23Å; L228-W298 HydrophobicContact CG-CE3 4.16Å; L228-W298 HydrophobicContact CG-CZ3 4.25Å
229	L	96	Very high	89.5	Confident	0 Å²	0	5.4 Å²	5.4	0%	0	3%	0.029	C	C	.	.	H	α-helix	trans	-62.9	-42.6	172	-178.8	71.4	0	0	0	111.9	I162 Y166 W205 F208 S225 Y226 H227 C231 A232 L233	I162-L229 HydrophobicContact CG2-CB 4.22Å; I162-L229 HydrophobicContact CG2-CD2 3.61Å; I162-L229 HydrophobicContact CG2-CG 4.39Å; Y166-L229 HydrophobicContact CD2-CD1 3.72Å; Y166-L229 HydrophobicContact CD2-CD2 4.03Å; Y166-L229 HydrophobicContact CD2-CG 4.29Å; Y166-L229 HydrophobicContact CE2-CD1 4.24Å; Y166-L229 HydrophobicContact CG-CD1 4.31Å; Y166-L229 HydrophobicContact CG-CD2 4.28Å; W205-L229 HydrophobicContact CE3-CD1 4.42Å; W205-L229 HydrophobicContact CZ3-CD1 4.38Å; F208-L229 HydrophobicContact CB-CD1 4.03Å; F208-L229 HydrophobicContact CD1-CD1 4.01Å; F208-L229 HydrophobicContact CD2-CB 3.92Å; F208-L229 HydrophobicContact CD2-CD1 4.08Å; F208-L229 HydrophobicContact CE2-CB 3.91Å; F208-L229 HydrophobicContact CG-CB 4.43Å; F208-L229 HydrophobicContact CG-CD1 3.74Å; F208-L229 HydrophobicContact CZ-CB 4.41Å; S225-L229 PolarHBondContact O-N 3.08Å; Y226-L229 WeakPolarHBondContact O-CB 3.37Å; Y226-L229 PolarHBondContact O-N 2.77Å; H227-L229 VanDerWaalsContact C-N 3.32Å; H227-L229 PolarHBondContact O-N 2.84Å; L229-C231 PolarHBondContact O-N 3.27Å; L229-A232 WeakPolarHBondContact O-CB 3.16Å; L229-A232 PolarHBondContact O-N 3.1Å; L229-A232 VanDerWaalsContact O-N 3.1Å; L229-L233 HydrophobicContact CG-CD1 4.13Å; L229-L233 WeakPolarHBondContact O-CG 3.41Å; L229-L233 PolarHBondContact O-N 3.02Å
230	L	95.6	Very high	90.1	Very high	0 Å²	0	4.9 Å²	4.9	0%	0	3%	0.026	C	C	.	.	H	α-helix	trans	-62	-33.4	175.8	-61.2	-172.6	0	0	0	112	I169 Y226 H227 L233 D234 I276 L279	I169-L230 HydrophobicContact CD1-CD2 4.23Å; Y226-L230 HydrophobicContact CE1-CD1 3.95Å; Y226-L230 HydrophobicContact CE1-CG 4.32Å; Y226-L230 HydrophobicContact CE2-CD2 4.14Å; Y226-L230 HydrophobicContact CE2-CG 4.45Å; Y226-L230 PolarHBondContact O-N 3.1Å; Y226-L230 VanDerWaalsContact O-N 3.08Å; H227-L230 PolarHBondContact O-N 2.84Å; L230-L233 HydrophobicContact CD2-CD1 4.25Å; L230-D234 VanDerWaalsContact O-CB 3.25Å; L230-D234 WeakPolarHBondContact O-CB 3.36Å; L230-D234 PolarHBondContact O-N 3.42Å; L230-I276 HydrophobicContact CB-CD1 3.7Å; L230-L279 HydrophobicContact CB-CD1 4.45Å; L230-L279 HydrophobicContact CD1-CB 4.4Å; L230-L279 HydrophobicContact CD2-CB 4.27Å
231	C	95.8	Very high	90.7	Very high	0 Å²	0	5.2 Å²	5.2	0%	0	3%	0.028	C	C	.	.	H	α-helix	trans	-68.9	-34.9	172.9	-61.9	0	0	0	0	112.9	H227 L228 L229 L235 W298	H227-C231 PolarHBondContact O-N 3.45Å; H227-C231 PolarHBondContact O-SG 2.92Å; L228-C231 WeakPolarHBondContact O-CB 3.39Å; L228-C231 PolarHBondContact O-N 3.44Å; L229-C231 PolarHBondContact O-N 3.27Å; C231-L235 WeakPolarHBondContact O-CB 3.48Å; C231-L235 PolarHBondContact O-N 3.47Å; C231-L235 VanDerWaalsContact O-N 3.09Å; C231-W298 HydrophobicContact CB-CB 4.19Å; C231-W298 HydrophobicContact CB-CD2 3.87Å; C231-W298 HydrophobicContact CB-CE3 4.48Å; C231-W298 HydrophobicContact CB-CG 3.71Å; C231-W298 PolarHBondContact O-NE1 3.11Å
232	A	95.8	Very high	90.5	Very high	0 Å²	0	6.3 Å²	6.3	0%	0	3%	0.032	C	C	.	.	H	α-helix	trans	-66.1	-46.9	173.9	0	0	0	0	0	112.1	F208 L228 L229 L235 V236 W298	F208-A232 HydrophobicContact CB-CB 4.25Å; L228-A232 PolarHBondContact O-N 2.89Å; L229-A232 WeakPolarHBondContact O-CB 3.16Å; L229-A232 PolarHBondContact O-N 3.1Å; L229-A232 VanDerWaalsContact O-N 3.1Å; A232-L235 PolarHBondContact O-N 3.18Å; A232-V236 WeakPolarHBondContact O-CG2 3.47Å; A232-V236 PolarHBondContact O-N 3.29Å; A232-W298 VanDerWaalsContact CA-CZ2 3.4Å; A232-W298 HydrophobicContact CB-CH2 3.55Å; A232-W298 HydrophobicContact CB-CZ2 3.82Å; A232-W298 HydrophobicContact CB-CZ3 4.35Å
233	L	94.9	Very high	90	Very high	0 Å²	0	6.9 Å²	6.9	0%	0	4%	0.036	C	C	.	.	H	α-helix	trans	-60.9	-45	176.3	-73.8	164	0	0	0	112.2	Y166 I169 F170 I173 L229 L230 V236 Y237 L279	Y166-L233 HydrophobicContact CD2-CD2 4.22Å; Y166-L233 HydrophobicContact CE2-CD2 3.82Å; Y166-L233 HydrophobicContact CE2-CG 4.48Å; I169-L233 HydrophobicContact CB-CD1 4.34Å; I169-L233 HydrophobicContact CG2-CD1 3.55Å; F170-L233 HydrophobicContact CD2-CD2 4Å; I173-L233 HydrophobicContact CD1-CB 4.21Å; I173-L233 HydrophobicContact CD1-CD1 4.43Å; I173-L233 HydrophobicContact CD1-CD2 4.1Å; L229-L233 HydrophobicContact CG-CD1 4.13Å; L229-L233 WeakPolarHBondContact O-CG 3.41Å; L229-L233 PolarHBondContact O-N 3.02Å; L230-L233 HydrophobicContact CD2-CD1 4.25Å; L233-V236 PolarHBondContact O-N 3.21Å; L233-Y237 VanDerWaalsContact O-CB 3.26Å; L233-Y237 WeakPolarHBondContact O-CB 3.34Å; L233-Y237 PolarHBondContact O-N 2.91Å; L233-L279 HydrophobicContact CB-CD1 4.24Å
234	D	93.9	Very high	88.7	Confident	8 Å²	8	11.6 Å²	11.6	4%	0.043	7%	0.07	C	C	.	.	H	α-helix	trans	-60	-44.5	176	168.7	112.2	0	0	0	112.3	L230 Y237 G238 I275 I276 L279 K294	L230-D234 VanDerWaalsContact O-CB 3.25Å; L230-D234 WeakPolarHBondContact O-CB 3.36Å; L230-D234 PolarHBondContact O-N 3.42Å; D234-Y237 PolarHBondContact O-N 3.08Å; D234-G238 PolarHBondContact O-N 2.84Å; D234-I275 HydrophobicContact CB-CG1 4.21Å; D234-I275 PolarHBondContact OD1-N 2.8Å; D234-I276 PolarHBondContact OD1-N 3.29Å; D234-L279 HydrophobicContact CB-CD1 4.26Å; D234-K294 VanDerWaalsContact CG-NZ 3.26Å; D234-K294 IonicContact OD1-NZ 3.13Å; D234-K294 PolarHBondContact OD1-NZ 2.95Å; D234-K294 WeakPolarHBondContact OD2-CE 3.24Å; D234-K294 IonicContact OD2-NZ 2.66Å; D234-K294 PolarHBondContact OD2-NZ 3.46Å
235	L	93.1	Very high	87.2	Confident	20 Å²	20	16.7 Å²	16.7	11%	0.105	10%	0.097	C	C	.	.	H	α-helix	trans	-62.8	-44.4	176.5	178.3	69.3	0	0	0	112.5	L207 C231 A232 N239 W298 I302 L318 F321	L207-L235 HydrophobicContact CD2-CD2 4.26Å; C231-L235 WeakPolarHBondContact O-CB 3.48Å; C231-L235 PolarHBondContact O-N 3.47Å; C231-L235 VanDerWaalsContact O-N 3.09Å; A232-L235 PolarHBondContact O-N 3.18Å; L235-N239 WeakPolarHBondContact O-CB 3.1Å; L235-N239 PolarHBondContact O-N 3.1Å; L235-N239 VanDerWaalsContact O-N 3.14Å; L235-N239 PolarHBondContact O-ND2 2.9Å; L235-W298 HydrophobicContact CB-CZ2 4.36Å; L235-W298 HydrophobicContact CD2-CZ2 3.78Å; L235-I302 HydrophobicContact CD2-CD1 4.02Å; L235-I302 HydrophobicContact CD2-CG1 4.03Å; L235-I302 HydrophobicContact CD2-CG2 3.9Å; L235-L318 HydrophobicContact CD1-CB 4.39Å; L235-F321 HydrophobicContact CD1-CE1 4.3Å; L235-F321 HydrophobicContact CD2-CE1 4.1Å; L235-F321 HydrophobicContact CD2-CZ 4.36Å; L235-F321 HydrophobicContact CG-CE1 3.91Å; L235-F321 HydrophobicContact CG-CZ 4.14Å
236	V	92	Very high	86	Confident	0 Å²	0	18.5 Å²	18.5	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-70.1	-38.4	-179.3	173.3	0	0	0	0	111	F174 I200 F203 C204 A232 L233 N239 A240 F321 L322	F174-V236 HydrophobicContact CE2-CG1 4.43Å; F174-V236 HydrophobicContact CZ-CG1 4Å; I200-V236 HydrophobicContact CG2-CG1 3.6Å; F203-V236 HydrophobicContact CD1-CG2 4.46Å; F203-V236 HydrophobicContact CE1-CG2 4.34Å; C204-V236 HydrophobicContact CB-CG2 4.1Å; A232-V236 WeakPolarHBondContact O-CG2 3.47Å; A232-V236 PolarHBondContact O-N 3.29Å; L233-V236 PolarHBondContact O-N 3.21Å; V236-N239 PolarHBondContact O-N 3.29Å; V236-A240 WeakPolarHBondContact O-CB 3.49Å; V236-A240 PolarHBondContact O-N 2.98Å; V236-F321 HydrophobicContact CG2-CE2 4.28Å; V236-F321 HydrophobicContact CG2-CZ 4.04Å; V236-L322 HydrophobicContact CG1-CD1 4.37Å
237	Y	90.4	Very high	84.8	Confident	4 Å²	4	21.6 Å²	21.6	2%	0.016	12%	0.117	C	C	.	.	H	α-helix	trans	-61.5	-50.3	173	175.4	-98.8	0	0	0	112.4	I173 L233 D234 N239 A240 L241 V250 F254 G256 P273 I275	I173-Y237 HydrophobicContact CG2-CD2 3.45Å; I173-Y237 VanDerWaalsContact CG2-CD2 3.45Å; I173-Y237 HydrophobicContact CG2-CE2 4.09Å; I173-Y237 HydrophobicContact CG2-CG 4.28Å; L233-Y237 VanDerWaalsContact O-CB 3.26Å; L233-Y237 WeakPolarHBondContact O-CB 3.34Å; L233-Y237 PolarHBondContact O-N 2.91Å; D234-Y237 PolarHBondContact O-N 3.08Å; Y237-N239 VanDerWaalsContact C-N 3.28Å; Y237-N239 PolarHBondContact O-N 3.33Å; Y237-A240 PolarHBondContact O-N 2.78Å; Y237-A240 VanDerWaalsContact O-N 3.08Å; Y237-L241 HydrophobicContact CD1-CD1 4Å; Y237-L241 HydrophobicContact CE1-CD1 3.4Å; Y237-L241 HydrophobicContact CE1-CG 4.42Å; Y237-L241 HydrophobicContact CE2-CD1 4.1Å; Y237-L241 VanDerWaalsContact CZ-CD1 3.5Å; Y237-L241 PolarHBondContact O-N 2.81Å; Y237-V250 HydrophobicContact CD2-CG1 4.34Å; Y237-V250 HydrophobicContact CE2-CG1 3.73Å; Y237-F254 AromaticContact CE2-CD1 3.89Å; Y237-F254 HydrophobicContact CE2-CD1 3.89Å; Y237-F254 AromaticContact CE2-CE1 3.95Å; Y237-F254 HydrophobicContact CE2-CE1 3.95Å; Y237-F254 AromaticContact CZ-CE1 3.95Å; Y237-G256 PolarHBondContact OH-O 3.2Å; Y237-G256 VanDerWaalsContact OH-O 3.08Å; Y237-P273 HydrophobicContact CE1-CG 4.44Å; Y237-I275 HydrophobicContact CD1-CB 4.44Å; Y237-I275 HydrophobicContact CD1-CD1 3.48Å; Y237-I275 VanDerWaalsContact CD1-CD1 3.48Å; Y237-I275 HydrophobicContact CD1-CG1 3.77Å; Y237-I275 HydrophobicContact CD1-CG2 3.84Å; Y237-I275 HydrophobicContact CD2-CD1 4.08Å; Y237-I275 HydrophobicContact CE1-CB 4.32Å; Y237-I275 HydrophobicContact CE1-CD1 3.86Å; Y237-I275 HydrophobicContact CE1-CG1 4.13Å; Y237-I275 HydrophobicContact CE1-CG2 3.31Å; Y237-I275 HydrophobicContact CE2-CD1 4.38Å; Y237-I275 HydrophobicContact CG-CD1 3.57Å; Y237-I275 HydrophobicContact CG-CG1 4.3Å
238	G	88.1	Confident	83.7	Confident	1 Å²	1	29.1 Å²	29.1	1%	0.01	15%	0.152	C	C	.	.	H	α-helix	trans	-58.1	-41.4	178	0	0	0	0	0	112.3	D234 Q242	D234-G238 PolarHBondContact O-N 2.84Å; G238-Q242 PolarHBondContact O-N 3.18Å
239	N	88.3	Confident	82.9	Confident	5 Å²	5	29.8 Å²	29.8	3%	0.027	16%	0.156	C	C	.	.	H	α-helix	trans	-67.8	-35.3	175	-88.7	-95.4	0	0	0	113.4	L235 V236 Y237 C243 L318 T319 G320 F321 L322	L235-N239 WeakPolarHBondContact O-CB 3.1Å; L235-N239 PolarHBondContact O-N 3.1Å; L235-N239 VanDerWaalsContact O-N 3.14Å; L235-N239 PolarHBondContact O-ND2 2.9Å; V236-N239 PolarHBondContact O-N 3.29Å; Y237-N239 VanDerWaalsContact C-N 3.28Å; Y237-N239 PolarHBondContact O-N 3.33Å; N239-C243 WeakPolarHBondContact O-CB 3.27Å; N239-C243 PolarHBondContact O-N 3.32Å; N239-L318 PolarHBondContact ND2-O 3.03Å; N239-T319 VanDerWaalsContact OD1-CA 3.27Å; N239-T319 WeakPolarHBondContact OD1-CA 3.48Å; N239-G320 PolarHBondContact OD1-N 3.19Å; N239-F321 HydrophobicContact CB-CE1 4.01Å; N239-F321 HydrophobicContact CB-CZ 3.97Å; N239-F321 WeakPolarHBondContact ND2-CE1 3.44Å; N239-F321 WeakPolarHBondContact OD1-CD1 3.28Å; N239-L322 HydrophobicContact CB-CD1 3.84Å; N239-L322 HydrophobicContact CB-CG 4.07Å
240	A	86.4	Confident	82.3	Confident	0 Å²	0	29.8 Å²	29.8	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-67.8	-37.1	178.3	0	0	0	0	0	111.9	F174 V236 Y237 V250 L322	F174-A240 HydrophobicContact CE1-CB 3.96Å; V236-A240 WeakPolarHBondContact O-CB 3.49Å; V236-A240 PolarHBondContact O-N 2.98Å; Y237-A240 PolarHBondContact O-N 2.78Å; Y237-A240 VanDerWaalsContact O-N 3.08Å; A240-V250 HydrophobicContact CB-CG2 4.42Å; A240-L322 HydrophobicContact CB-CD1 4.02Å
241	L	80.6	Confident	81.7	Confident	25 Å²	25	31.3 Å²	31.3	13%	0.131	16%	0.164	C	C	.	.	H	α-helix	trans	-72.8	-35.6	177.3	-72.1	-179.8	0	0	0	113.8	Y237 C243 V250 F261 P273	Y237-L241 HydrophobicContact CD1-CD1 4Å; Y237-L241 HydrophobicContact CE1-CD1 3.4Å; Y237-L241 HydrophobicContact CE1-CG 4.42Å; Y237-L241 HydrophobicContact CE2-CD1 4.1Å; Y237-L241 VanDerWaalsContact CZ-CD1 3.5Å; Y237-L241 PolarHBondContact O-N 2.81Å; L241-C243 VanDerWaalsContact C-N 3.35Å; L241-V250 HydrophobicContact CD2-CG2 3.95Å; L241-V250 HydrophobicContact CG-CG2 4.45Å; L241-F261 HydrophobicContact CD2-CD2 4.18Å; L241-F261 HydrophobicContact CD2-CE2 3.56Å; L241-P273 HydrophobicContact CB-CG 4.4Å; L241-P273 HydrophobicContact CD1-CG 3.63Å
242	Q	77.8	Confident	80.8	Confident	36 Å²	36	34.1 Å²	34.1	17%	0.168	18%	0.184	C	C	.	.	H	α-helix	trans	-77.8	-17.7	177	-73.7	-176.3	-41.3	0	0	113.5	G238 S244 S269 S270	G238-Q242 PolarHBondContact O-N 3.18Å; Q242-S244 PolarHBondContact O-N 2.86Å; Q242-S269 PolarHBondContact NE2-O 3.02Å; Q242-S270 PolarHBondContact NE2-O 3.49Å
243	C	73.5	Confident	79.9	Confident	15 Å²	15	40.8 Å²	40.8	10%	0.101	22%	0.219	C	C	.	.	S	Bend	trans	-76.6	105.6	176.1	-171.4	0	0	0	0	110.5	N239 L241 N245 R246	N239-C243 WeakPolarHBondContact O-CB 3.27Å; N239-C243 PolarHBondContact O-N 3.32Å; L241-C243 VanDerWaalsContact C-N 3.35Å; C243-N245 PolarHBondContact O-N 3.39Å; C243-R246 HydrophobicContact CB-CB 3.96Å; C243-R246 HydrophobicContact CB-CG 4.26Å; C243-R246 PolarHBondContact O-N 3.35Å; C243-R246 VanDerWaalsContact SG-CG 3.55Å
244	S	59.7	Low	79.3	Confident	102 Å²	102	41.2 Å²	41.2	71%	0.713	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53	-24.3	-165.9	-43.1	0	0	0	0	116.5	Q242	Q242-S244 PolarHBondContact O-N 2.86Å
245	N	58.6	Low	78.2	Confident	134 Å²	134	48.3 Å²	48.3	72%	0.717	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.2	14.2	-177.7	-58.7	-25.1	0	0	0	113	C243	C243-N245 PolarHBondContact O-N 3.39Å
246	R	65.4	Low	76.9	Confident	38 Å²	38	48.1 Å²	48.1	14%	0.143	26%	0.255	C	S	.	.			trans	-138.4	5.1	-164.2	-61.6	-65	-70.8	-165.3	-10.8	116.3	C195 C243 E248 L249	C195-R246 PolarHBondContact O-NH1 2.61Å; C195-R246 PolarHBondContact O-NH2 3.11Å; C195-R246 PolarHBondContact SG-NH2 3.35Å; C243-R246 HydrophobicContact CB-CB 3.96Å; C243-R246 HydrophobicContact CB-CG 4.26Å; C243-R246 PolarHBondContact O-N 3.35Å; C243-R246 VanDerWaalsContact SG-CG 3.55Å; R246-E248 PolarHBondContact O-N 3.26Å; R246-L249 HydrophobicContact CB-CD1 4.04Å; R246-L249 HydrophobicContact CB-CG 4.47Å; R246-L249 VanDerWaalsContact NH2-CD2 3.29Å; R246-L249 WeakPolarHBondContact O-CG 3.43Å; R246-L249 PolarHBondContact O-N 3.13Å; R246-L249 VanDerWaalsContact O-N 3.09Å
247	K	66.6	Low	75.8	Confident	66 Å²	66	50 Å²	50	29%	0.287	26%	0.264	S	S	.	.	G	3₁₀ helix	trans	-50.1	-30	168.7	-66.7	-171.2	-179.7	-177.5	0	112.5	L249 V250 F261 S266	K247-L249 PolarHBondContact O-N 2.97Å; K247-V250 PolarHBondContact O-N 3.3Å; K247-F261 HydrophobicContact CB-CE2 4.17Å; K247-F261 HydrophobicContact CB-CZ 4.33Å; K247-F261 HydrophobicContact CD-CE2 4.29Å; K247-F261 HydrophobicContact CG-CE2 4.47Å; K247-S266 PolarHBondContact NZ-OG 3.29Å
248	E	70.1	Confident	74.4	Confident	157 Å²	157	53.6 Å²	53.6	73%	0.734	29%	0.29	S	S	*	.	G	3₁₀ helix	trans	-62.8	-15.4	179.5	-62.1	-179.4	177.6	0	0	115.7	K175 R246 V250	K175-E248 WeakPolarHBondContact CD-O 3.37Å; K175-E248 WeakPolarHBondContact CE-O 3.31Å; K175-E248 PolarHBondContact NZ-O 2.94Å; R246-E248 PolarHBondContact O-N 3.26Å; E248-V250 VanDerWaalsContact C-N 3.34Å
249	L	77.9	Confident	72.7	Confident	15 Å²	15	62.8 Å²	62.8	8%	0.079	33%	0.333	C	S	.	.	G	3₁₀ helix	trans	-71.1	-31.1	175.9	-63.4	170.1	0	0	0	113.2	F174 K175 V197 I200 R246 K247	F174-L249 WeakPolarHBondContact CA-O 3.18Å; F174-L249 HydrophobicContact CD1-CB 4.33Å; K175-L249 PolarHBondContact N-O 3.15Å; V197-L249 HydrophobicContact CG2-CD2 3.51Å; I200-L249 HydrophobicContact CD1-CD1 3.41Å; I200-L249 VanDerWaalsContact CD1-CD1 3.41Å; I200-L249 HydrophobicContact CD1-CD2 4.48Å; R246-L249 HydrophobicContact CB-CD1 4.04Å; R246-L249 HydrophobicContact CB-CG 4.47Å; R246-L249 VanDerWaalsContact NH2-CD2 3.29Å; R246-L249 WeakPolarHBondContact O-CG 3.43Å; R246-L249 PolarHBondContact O-N 3.13Å; R246-L249 VanDerWaalsContact O-N 3.09Å; K247-L249 PolarHBondContact O-N 2.97Å
250	V	83.7	Confident	71	Confident	0 Å²	0	67.8 Å²	67.8	0%	0	36%	0.36	C	S	.	.	B	Isolated β-bridge	trans	-72.7	139.1	-172.3	-178.1	0	0	0	0	108.9	I173 F174 K175 Y237 A240 L241 K247 E248 S252 L257	I173-V250 WeakPolarHBondContact O-CG1 3.47Å; F174-V250 HydrophobicContact CD1-CG2 4.44Å; F174-V250 HydrophobicContact CE1-CG2 4.29Å; K175-V250 WeakPolarHBondContact CE-O 3.33Å; Y237-V250 HydrophobicContact CD2-CG1 4.34Å; Y237-V250 HydrophobicContact CE2-CG1 3.73Å; A240-V250 HydrophobicContact CB-CG2 4.42Å; L241-V250 HydrophobicContact CD2-CG2 3.95Å; L241-V250 HydrophobicContact CG-CG2 4.45Å; K247-V250 PolarHBondContact O-N 3.3Å; E248-V250 VanDerWaalsContact C-N 3.34Å; V250-S252 PolarHBondContact O-N 3.16Å; V250-L257 HydrophobicContact CG1-CD2 3.92Å
251	N	82.1	Confident	69.5	Low	32 Å²	32	69.6 Å²	69.6	17%	0.171	37%	0.368	C	S	.	.			trans	-68.1	114.2	177.6	-174.4	-15.9	0	0	0	108.7	Q171 I173 N253 F254 L257	Q171-N251 PolarHBondContact O-ND2 2.96Å; I173-N251 PolarHBondContact O-N 2.95Å; N251-N253 PolarHBondContact O-N 3.34Å; N251-N253 VanDerWaalsContact O-N 3.07Å; N251-N253 WeakPolarHBondContact OD1-CB 3.38Å; N251-N253 PolarHBondContact OD1-N 3.47Å; N251-N253 VanDerWaalsContact OD1-N 3.08Å; N251-F254 WeakPolarHBondContact O-CB 3.39Å; N251-F254 PolarHBondContact O-N 3.26Å; N251-L257 WeakPolarHBondContact O-CD1 3.35Å
252	S	77.3	Confident	68.2	Low	59 Å²	59	75.4 Å²	75.4	41%	0.413	39%	0.394	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-13.7	-177.1	-49.8	0	0	0	0	113.7	V250	V250-S252 PolarHBondContact O-N 3.16Å
253	N	77.1	Confident	67.1	Low	140 Å²	140	76 Å²	76	75%	0.749	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.7	0.4	173.8	-59.9	-42.5	0	0	0	113.1	N251 K255	N251-N253 PolarHBondContact O-N 3.34Å; N251-N253 VanDerWaalsContact O-N 3.07Å; N251-N253 WeakPolarHBondContact OD1-CB 3.38Å; N251-N253 PolarHBondContact OD1-N 3.47Å; N251-N253 VanDerWaalsContact OD1-N 3.08Å; N253-K255 PolarHBondContact O-N 2.87Å
254	F	82.5	Confident	65.9	Low	9 Å²	9	84.9 Å²	84.9	4%	0.039	44%	0.442	C	S	.	.			trans	-66.1	119.9	-177.3	-179.2	-122.2	0	0	0	111.5	D172 I173 Y237 N251 G256 L257 I275 L279 L282	D172-F254 WeakPolarHBondContact O-CB 3.45Å; D172-F254 WeakPolarHBondContact O-CD2 3.3Å; I173-F254 HydrophobicContact CG1-CD2 4.2Å; I173-F254 HydrophobicContact CG1-CE2 3.78Å; I173-F254 HydrophobicContact CG1-CZ 4.02Å; Y237-F254 AromaticContact CE2-CD1 3.89Å; Y237-F254 HydrophobicContact CE2-CD1 3.89Å; Y237-F254 AromaticContact CE2-CE1 3.95Å; Y237-F254 HydrophobicContact CE2-CE1 3.95Å; Y237-F254 AromaticContact CZ-CE1 3.95Å; N251-F254 WeakPolarHBondContact O-CB 3.39Å; N251-F254 PolarHBondContact O-N 3.26Å; F254-G256 VanDerWaalsContact CE1-CA 3.46Å; F254-G256 PolarHBondContact O-N 3.02Å; F254-L257 HydrophobicContact CB-CD1 4.26Å; F254-L257 HydrophobicContact CB-CG 4.31Å; F254-L257 HydrophobicContact CD1-CG 4.41Å; F254-L257 PolarHBondContact O-N 3.14Å; F254-L257 VanDerWaalsContact O-N 3.15Å; F254-I275 HydrophobicContact CE1-CD1 3.94Å; F254-I275 HydrophobicContact CZ-CD1 3.98Å; F254-L279 HydrophobicContact CE2-CD2 4.42Å; F254-L279 HydrophobicContact CZ-CD2 4.05Å; F254-L282 HydrophobicContact CE2-CD1 3.97Å
255	K	70.1	Confident	65	Low	156 Å²	156	87.4 Å²	87.4	68%	0.678	45%	0.447	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.8	8.8	-176.3	-63.2	172.6	-179.7	165.5	0	114.6	N253 K278 L282	N253-K255 PolarHBondContact O-N 2.87Å; K255-K278 WeakPolarHBondContact O-CD 3.4Å; K255-K278 WeakPolarHBondContact O-CE 3.42Å; K255-K278 PolarHBondContact O-NZ 3.41Å; K255-L282 HydrophobicContact CB-CD1 4.4Å; K255-L282 HydrophobicContact CD-CD2 4.29Å
256	G	65.8	Low	64.5	Low	17 Å²	17	82.9 Å²	82.9	18%	0.175	43%	0.426	C	S	.	.	T	Hydrogen-bonded Turn	trans	-116.9	12.9	175.1	0	0	0	0	0	114.6	Y237 F254	Y237-G256 PolarHBondContact OH-O 3.2Å; Y237-G256 VanDerWaalsContact OH-O 3.08Å; F254-G256 VanDerWaalsContact CE1-CA 3.46Å; F254-G256 PolarHBondContact O-N 3.02Å
257	L	68.9	Low	63.9	Low	38 Å²	38	90.4 Å²	90.4	20%	0.199	46%	0.46	C	S	.	.			trans	-74.5	148.6	167.8	-71.2	164.7	0	0	0	111	V250 N251 F254 F261	V250-L257 HydrophobicContact CG1-CD2 3.92Å; N251-L257 WeakPolarHBondContact O-CD1 3.35Å; F254-L257 HydrophobicContact CB-CD1 4.26Å; F254-L257 HydrophobicContact CB-CG 4.31Å; F254-L257 HydrophobicContact CD1-CG 4.41Å; F254-L257 PolarHBondContact O-N 3.14Å; F254-L257 VanDerWaalsContact O-N 3.15Å; L257-F261 HydrophobicContact CD1-CD1 4.17Å; L257-F261 HydrophobicContact CD1-CE1 4.26Å; L257-F261 HydrophobicContact CD2-CB 4.49Å; L257-F261 HydrophobicContact CD2-CD1 4.06Å; L257-F261 HydrophobicContact CD2-CD2 3.74Å; L257-F261 HydrophobicContact CD2-CE1 4.16Å; L257-F261 HydrophobicContact CD2-CE2 3.86Å; L257-F261 HydrophobicContact CD2-CG 3.84Å; L257-F261 HydrophobicContact CD2-CZ 4.06Å
258	S	61.9	Low	63.3	Low	80 Å²	80	91.3 Å²	91.3	56%	0.559	47%	0.472	S	S	*	.			trans	-78.6	152.2	169.5	-163.8	0	0	0	0	110.5	D260 F261	S258-D260 PolarHBondContact O-N 2.94Å; S258-F261 WeakPolarHBondContact O-CB 3.41Å; S258-F261 PolarHBondContact O-N 2.72Å
259	E	52.8	Low	62.6	Low	194 Å²	194	87.3 Å²	87.3	91%	0.907	46%	0.462	S	S	*	.	G	3₁₀ helix	trans	-61.1	-31	179	-59.4	-174.8	157.7	0	0	111.7	F261	E259-F261 PolarHBondContact O-N 3.13Å
260	D	52.4	Low	61.6	Low	111 Å²	111	90.8 Å²	90.8	59%	0.594	49%	0.487	S	S	*	.	G	3₁₀ helix	trans	-69.4	-4.8	175.3	-53.1	-69.2	0	0	0	115.2	S258 H262 A263	S258-D260 PolarHBondContact O-N 2.94Å; D260-H262 PolarHBondContact O-N 3.32Å; D260-A263 VanDerWaalsContact O-CB 3.31Å; D260-A263 WeakPolarHBondContact O-CB 3.43Å; D260-A263 PolarHBondContact O-N 2.95Å
261	F	54.2	Low	60.7	Low	37 Å²	37	95.7 Å²	95.7	16%	0.162	51%	0.513	C	S	.	.	G	3₁₀ helix	trans	-57.3	-27.9	-170.6	179.6	-111.2	0	0	0	114	L241 K247 L257 S258 E259	L241-F261 HydrophobicContact CD2-CD2 4.18Å; L241-F261 HydrophobicContact CD2-CE2 3.56Å; K247-F261 HydrophobicContact CB-CE2 4.17Å; K247-F261 HydrophobicContact CB-CZ 4.33Å; K247-F261 HydrophobicContact CD-CE2 4.29Å; K247-F261 HydrophobicContact CG-CE2 4.47Å; L257-F261 HydrophobicContact CD1-CD1 4.17Å; L257-F261 HydrophobicContact CD1-CE1 4.26Å; L257-F261 HydrophobicContact CD2-CB 4.49Å; L257-F261 HydrophobicContact CD2-CD1 4.06Å; L257-F261 HydrophobicContact CD2-CD2 3.74Å; L257-F261 HydrophobicContact CD2-CE1 4.16Å; L257-F261 HydrophobicContact CD2-CE2 3.86Å; L257-F261 HydrophobicContact CD2-CG 3.84Å; L257-F261 HydrophobicContact CD2-CZ 4.06Å; S258-F261 WeakPolarHBondContact O-CB 3.41Å; S258-F261 PolarHBondContact O-N 2.72Å; E259-F261 PolarHBondContact O-N 3.13Å
262	H	54.2	Low	60.2	Low	148 Å²	148	96.4 Å²	96.4	69%	0.685	52%	0.52	S	S	*	.	G	3₁₀ helix	trans	-90.7	-4	177.8	-69.4	-76.9	0	0	0	114.8	D260 K264	D260-H262 PolarHBondContact O-N 3.32Å; H262-K264 PolarHBondContact O-N 3.29Å
263	A	53.3	Low	60.3	Low	47 Å²	47	95.8 Å²	95.8	39%	0.388	51%	0.514	S	S	.	.			trans	-71.6	112.1	176.7	0	0	0	0	0	110.7	D260 D265 S266	D260-A263 VanDerWaalsContact O-CB 3.31Å; D260-A263 WeakPolarHBondContact O-CB 3.43Å; D260-A263 PolarHBondContact O-N 2.95Å; A263-D265 PolarHBondContact O-N 3.19Å; A263-S266 WeakPolarHBondContact O-CB 3.44Å; A263-S266 PolarHBondContact O-N 3.24Å; A263-S266 VanDerWaalsContact O-N 3.15Å; A263-S266 PolarHBondContact O-OG 2.99Å
264	K	48.9	Very low	60.8	Low	203 Å²	203	93 Å²	93	88%	0.883	51%	0.505	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60	-26.8	-178	-75.2	-175.2	174.4	179.2	0	113.6	H262	H262-K264 PolarHBondContact O-N 3.29Å
265	D	42	Very low	61.2	Low	155 Å²	155	93.1 Å²	93.1	83%	0.829	51%	0.506	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.9	10.5	-177.1	-52.9	-74.3	0	0	0	113.5	A263 K267	A263-D265 PolarHBondContact O-N 3.19Å; D265-K267 PolarHBondContact O-N 2.9Å
266	S	48.1	Very low	62.3	Low	39 Å²	39	85.8 Å²	85.8	27%	0.273	47%	0.474	S	S	.	.			trans	-64.1	101	175	55.3	0	0	0	0	111.7	K247 A263	K247-S266 PolarHBondContact NZ-OG 3.29Å; A263-S266 WeakPolarHBondContact O-CB 3.44Å; A263-S266 PolarHBondContact O-N 3.24Å; A263-S266 VanDerWaalsContact O-N 3.15Å; A263-S266 PolarHBondContact O-OG 2.99Å
267	K	51.2	Low	63.5	Low	195 Å²	195	90 Å²	90	85%	0.848	49%	0.489	S	S	*	.	P	Polyproline II helix	trans	-56.8	129	163.3	-72.7	-177.8	179.6	176.4	0	108.2	D265 S269	D265-K267 PolarHBondContact O-N 2.9Å; K267-S269 PolarHBondContact O-N 3.15Å
268	P	54.1	Low	64.4	Low	86 Å²	86	91.9 Å²	91.9	56%	0.558	50%	0.496	S	S	*	.	P	Polyproline II helix	trans	-62.4	138.7	172.5	27.1	-33.3	0	0	0	109.5
269	S	55.6	Low	65.8	Low	72 Å²	72	88.1 Å²	88.1	50%	0.503	47%	0.469	S	S	.	.	P	Polyproline II helix	trans	-59.5	147.3	170.5	49	0	0	0	0	110.7	Q242 K267 D271	Q242-S269 PolarHBondContact NE2-O 3.02Å; K267-S269 PolarHBondContact O-N 3.15Å; S269-D271 PolarHBondContact O-N 3.12Å; S269-D271 PolarHBondContact OG-O 3.5Å
270	S	57.2	Low	67.6	Low	89 Å²	89	79 Å²	79	62%	0.622	43%	0.427	S	S	*	.	S	Bend	trans	-53.5	-38.6	170.2	49.3	0	0	0	0	111.4	Q242 N317	Q242-S270 PolarHBondContact NE2-O 3.49Å; S270-N317 PolarHBondContact O-ND2 2.77Å
271	D	64.4	Low	69.3	Low	102 Å²	102	77.9 Å²	77.9	55%	0.545	43%	0.428	S	S	.	.	S	Bend	trans	-99.1	136.7	-171	-60.4	20.9	0	0	0	109.4	S269	S269-D271 PolarHBondContact O-N 3.12Å; S269-D271 PolarHBondContact OG-O 3.5Å
272	P	71.3	Confident	70.9	Confident	48 Å²	48	78.8 Å²	78.8	31%	0.312	43%	0.434	S	S	.	.	P	Polyproline II helix	trans	-69.5	137.9	178.3	27.2	-33	0	0	0	111.1	C274 T319	P272-C274 PolarHBondContact O-N 3.38Å; P272-T319 HydrophobicContact CB-CG2 4.48Å; P272-T319 HydrophobicContact CG-CG2 4.29Å
273	P	80.1	Confident	72.5	Confident	45 Å²	45	72.6 Å²	72.6	29%	0.292	41%	0.406	S	S	.	.	P	Polyproline II helix	trans	-66.2	134.6	179.6	26.5	-33.8	0	0	0	111.6	Y237 L241	Y237-P273 HydrophobicContact CE1-CG 4.44Å; L241-P273 HydrophobicContact CB-CG 4.4Å; L241-P273 HydrophobicContact CD1-CG 3.63Å
274	C	87.1	Confident	73.9	Confident	82 Å²	82	74.2 Å²	74.2	55%	0.554	41%	0.408	S	S	*	.	P	Polyproline II helix	trans	-98.1	121.6	179.3	-178.1	0	0	0	0	109.8	P272 K294	P272-C274 PolarHBondContact O-N 3.38Å; C274-K294 PolarHBondContact SG-NZ 3.04Å
275	I	91.2	Very high	75.7	Confident	11 Å²	11	65.1 Å²	65.1	6%	0.056	37%	0.371	C	S	.	.			trans	-115.3	4.7	-179.9	57.6	162.6	0	0	0	113.7	D234 Y237 F254 E277 K278 L279	D234-I275 HydrophobicContact CB-CG1 4.21Å; D234-I275 PolarHBondContact OD1-N 2.8Å; Y237-I275 HydrophobicContact CD1-CB 4.44Å; Y237-I275 HydrophobicContact CD1-CD1 3.48Å; Y237-I275 VanDerWaalsContact CD1-CD1 3.48Å; Y237-I275 HydrophobicContact CD1-CG1 3.77Å; Y237-I275 HydrophobicContact CD1-CG2 3.84Å; Y237-I275 HydrophobicContact CD2-CD1 4.08Å; Y237-I275 HydrophobicContact CE1-CB 4.32Å; Y237-I275 HydrophobicContact CE1-CD1 3.86Å; Y237-I275 HydrophobicContact CE1-CG1 4.13Å; Y237-I275 HydrophobicContact CE1-CG2 3.31Å; Y237-I275 HydrophobicContact CE2-CD1 4.38Å; Y237-I275 HydrophobicContact CG-CD1 3.57Å; Y237-I275 HydrophobicContact CG-CG1 4.3Å; F254-I275 HydrophobicContact CE1-CD1 3.94Å; F254-I275 HydrophobicContact CZ-CD1 3.98Å; I275-E277 PolarHBondContact O-N 3.24Å; I275-E277 VanDerWaalsContact O-N 3.09Å; I275-K278 WeakPolarHBondContact O-CA 3.4Å; I275-K278 WeakPolarHBondContact O-CB 3.11Å; I275-K278 PolarHBondContact O-N 2.86Å; I275-L279 HydrophobicContact CD1-CD1 3.92Å; I275-L279 HydrophobicContact CD1-CD2 3.97Å; I275-L279 HydrophobicContact CD1-CG 3.91Å; I275-L279 HydrophobicContact CG1-CD1 4.02Å; I275-L279 HydrophobicContact CG1-CG 4.1Å; I275-L279 PolarHBondContact O-N 3.25Å
276	I	92.6	Very high	77.9	Confident	2 Å²	2	59 Å²	59	1%	0.01	34%	0.339	C	S	.	.	H	α-helix	trans	-50.9	-38	-175.9	-161.5	64.4	0	0	0	114	L230 D234 C280 A290 K291	L230-I276 HydrophobicContact CB-CD1 3.7Å; D234-I276 PolarHBondContact OD1-N 3.29Å; I276-C280 WeakPolarHBondContact O-CB 3.08Å; I276-C280 PolarHBondContact O-N 3.23Å; I276-C280 PolarHBondContact O-SG 2.81Å; I276-A290 HydrophobicContact CD1-CB 4.26Å; I276-A290 HydrophobicContact CG1-CB 3.89Å; I276-K291 HydrophobicContact CG2-CG 4.36Å
277	E	91.1	Very high	79.8	Confident	106 Å²	106	59.7 Å²	59.7	50%	0.495	34%	0.341	S	S	.	.	H	α-helix	trans	-67.5	-40.2	175.5	-58.8	-170.7	176.4	0	0	112.3	I275 C280 S281 V287 K291	I275-E277 PolarHBondContact O-N 3.24Å; I275-E277 VanDerWaalsContact O-N 3.09Å; E277-C280 PolarHBondContact O-N 3.45Å; E277-S281 PolarHBondContact O-N 2.94Å; E277-S281 PolarHBondContact O-OG 3.3Å; E277-V287 HydrophobicContact CG-CG1 4.01Å; E277-K291 WeakPolarHBondContact OE1-CE 3.3Å; E277-K291 IonicContact OE1-NZ 2.72Å; E277-K291 PolarHBondContact OE1-NZ 2.95Å
278	K	89.4	Confident	81.5	Confident	78 Å²	78	57.4 Å²	57.4	34%	0.339	34%	0.338	S	S	.	.	H	α-helix	trans	-66.1	-47	176.7	-163.8	80.3	-157.2	-151.2	0	110.6	K255 I275 C280 S281 L282	K255-K278 WeakPolarHBondContact O-CD 3.4Å; K255-K278 WeakPolarHBondContact O-CE 3.42Å; K255-K278 PolarHBondContact O-NZ 3.41Å; I275-K278 WeakPolarHBondContact O-CA 3.4Å; I275-K278 WeakPolarHBondContact O-CB 3.11Å; I275-K278 PolarHBondContact O-N 2.86Å; K278-C280 VanDerWaalsContact C-N 3.29Å; K278-C280 PolarHBondContact O-N 3.14Å; K278-S281 WeakPolarHBondContact CA-OG 3.37Å; K278-S281 PolarHBondContact O-N 2.86Å; K278-S281 VanDerWaalsContact O-N 3.13Å; K278-S281 PolarHBondContact O-OG 2.78Å; K278-L282 HydrophobicContact CG-CD1 3.87Å; K278-L282 HydrophobicContact CG-CG 4.32Å; K278-L282 WeakPolarHBondContact O-CB 3.2Å; K278-L282 WeakPolarHBondContact O-CG 3.34Å; K278-L282 PolarHBondContact O-N 2.68Å
279	L	90.3	Very high	83.1	Confident	0 Å²	0	54.9 Å²	54.9	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-58.2	-43.1	176.3	-65	-179.6	0	0	0	111.5	I169 I173 L230 L233 D234 F254 I275 L282 H283	I169-L279 HydrophobicContact CG2-CD2 4.49Å; I173-L279 HydrophobicContact CD1-CD2 3.67Å; I173-L279 HydrophobicContact CG1-CD2 4.16Å; L230-L279 HydrophobicContact CB-CD1 4.45Å; L230-L279 HydrophobicContact CD1-CB 4.4Å; L230-L279 HydrophobicContact CD2-CB 4.27Å; L233-L279 HydrophobicContact CB-CD1 4.24Å; D234-L279 HydrophobicContact CB-CD1 4.26Å; F254-L279 HydrophobicContact CE2-CD2 4.42Å; F254-L279 HydrophobicContact CZ-CD2 4.05Å; I275-L279 HydrophobicContact CD1-CD1 3.92Å; I275-L279 HydrophobicContact CD1-CD2 3.97Å; I275-L279 HydrophobicContact CD1-CG 3.91Å; I275-L279 HydrophobicContact CG1-CD1 4.02Å; I275-L279 HydrophobicContact CG1-CG 4.1Å; I275-L279 PolarHBondContact O-N 3.25Å; L279-L282 PolarHBondContact O-N 3.47Å; L279-H283 WeakPolarHBondContact O-CB 3.37Å; L279-H283 PolarHBondContact O-CD2 2.73Å; L279-H283 VanDerWaalsContact O-CD2 3.29Å; L279-H283 PolarHBondContact O-N 2.81Å; L279-H283 VanDerWaalsContact O-N 3.1Å
280	C	91.6	Very high	84.8	Confident	3 Å²	3	51.5 Å²	51.5	2%	0.02	29%	0.294	C	S	.	.	H	α-helix	trans	-60.2	-47.6	173.6	-73.1	0	0	0	0	112.4	I276 E277 K278 L282 D284 G285 V287	I276-C280 WeakPolarHBondContact O-CB 3.08Å; I276-C280 PolarHBondContact O-N 3.23Å; I276-C280 PolarHBondContact O-SG 2.81Å; E277-C280 PolarHBondContact O-N 3.45Å; K278-C280 VanDerWaalsContact C-N 3.29Å; K278-C280 PolarHBondContact O-N 3.14Å; C280-L282 VanDerWaalsContact C-N 3.33Å; C280-L282 PolarHBondContact O-N 3.23Å; C280-D284 PolarHBondContact O-N 3.41Å; C280-G285 VanDerWaalsContact CB-O 3.3Å; C280-G285 WeakPolarHBondContact CB-O 3.36Å; C280-G285 PolarHBondContact O-N 2.64Å; C280-V287 HydrophobicContact CB-CG2 3.59Å
281	S	88.1	Confident	86.4	Confident	87 Å²	87	51.4 Å²	51.4	61%	0.608	28%	0.283	S	S	*	.	H	α-helix	trans	-69	-24.2	-179.7	66	0	0	0	0	114.8	E277 K278	E277-S281 PolarHBondContact O-N 2.94Å; E277-S281 PolarHBondContact O-OG 3.3Å; K278-S281 WeakPolarHBondContact CA-OG 3.37Å; K278-S281 PolarHBondContact O-N 2.86Å; K278-S281 VanDerWaalsContact O-N 3.13Å; K278-S281 PolarHBondContact O-OG 2.78Å
282	L	86.6	Confident	87.5	Confident	57 Å²	57	47.7 Å²	47.7	30%	0.298	27%	0.268	S	S	.	.	H	α-helix	trans	-90	-24.1	178.8	-68.3	175.2	0	0	0	113.9	F254 K255 K278 L279 C280	F254-L282 HydrophobicContact CE2-CD1 3.97Å; K255-L282 HydrophobicContact CB-CD1 4.4Å; K255-L282 HydrophobicContact CD-CD2 4.29Å; K278-L282 HydrophobicContact CG-CD1 3.87Å; K278-L282 HydrophobicContact CG-CG 4.32Å; K278-L282 WeakPolarHBondContact O-CB 3.2Å; K278-L282 WeakPolarHBondContact O-CG 3.34Å; K278-L282 PolarHBondContact O-N 2.68Å; L279-L282 PolarHBondContact O-N 3.47Å; C280-L282 VanDerWaalsContact C-N 3.33Å; C280-L282 PolarHBondContact O-N 3.23Å
283	H	87.9	Confident	88.4	Confident	18 Å²	18	45.9 Å²	45.9	8%	0.083	26%	0.256	C	S	.	.	H	α-helix	trans	-132.8	22.7	-165.3	-49.5	-60.4	0	0	0	115.9	K165 I169 D172 Y226 L279	K165-H283 PolarHBondContact NZ-O 3.09Å; K165-H283 VanDerWaalsContact NZ-O 3.07Å; I169-H283 HydrophobicContact CD1-CB 4.02Å; I169-H283 HydrophobicContact CG1-CB 4.23Å; D172-H283 IonicContact OD2-CE1 3.35Å; D172-H283 PolarHBondContact OD2-CE1 3.4Å; Y226-H283 WeakPolarHBondContact OH-CB 3.33Å; Y226-H283 PolarHBondContact OH-O 3Å; L279-H283 WeakPolarHBondContact O-CB 3.37Å; L279-H283 PolarHBondContact O-CD2 2.73Å; L279-H283 VanDerWaalsContact O-CD2 3.29Å; L279-H283 PolarHBondContact O-N 2.81Å; L279-H283 VanDerWaalsContact O-N 3.1Å
284	D	83.7	Confident	88.9	Confident	80 Å²	80	45.1 Å²	45.1	43%	0.428	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	73.1	24.6	178.3	-38.5	-56.8	0	0	0	115.5	K165 C280 S420 T423	K165-D284 IonicContact NZ-OD2 3.62Å; K165-D284 PolarHBondContact NZ-OD2 2.88Å; C280-D284 PolarHBondContact O-N 3.41Å; D284-S420 WeakPolarHBondContact OD2-CB 3.2Å; D284-S420 PolarHBondContact OD2-OG 2.97Å; D284-T423 VanDerWaalsContact O-CB 3.27Å; D284-T423 WeakPolarHBondContact O-CB 3.41Å; D284-T423 WeakPolarHBondContact O-CG2 3.34Å; D284-T423 PolarHBondContact O-OG1 3.44Å
285	G	85.9	Confident	89	Confident	12 Å²	12	45.8 Å²	45.8	12%	0.124	24%	0.243	C	C	.	.			trans	-84.9	142.7	-178.2	0	0	0	0	0	114.1	C280 V287	C280-G285 VanDerWaalsContact CB-O 3.3Å; C280-G285 WeakPolarHBondContact CB-O 3.36Å; C280-G285 PolarHBondContact O-N 2.64Å; G285-V287 PolarHBondContact O-N 3.01Å
286	L	87.8	Confident	88.8	Confident	27 Å²	27	51.9 Å²	51.9	14%	0.141	27%	0.271	C	S	.	.			trans	-83.4	110.3	174.1	-50.4	179.4	0	0	0	110.8	V223 H227 L288 A290 T423 L426	V223-L286 HydrophobicContact CG1-CD1 4.45Å; H227-L286 PolarHBondContact NE2-N 2.95Å; H227-L286 VanDerWaalsContact NE2-N 3.13Å; H227-L286 PolarHBondContact NE2-O 3.11Å; L286-L288 PolarHBondContact O-N 3.25Å; L286-A290 VanDerWaalsContact O-CB 3.28Å; L286-A290 WeakPolarHBondContact O-CB 3.36Å; L286-A290 PolarHBondContact O-N 2.93Å; L286-T423 HydrophobicContact CG-CG2 4.36Å; L286-L426 HydrophobicContact CD1-CB 4.06Å; L286-L426 HydrophobicContact CD1-CD2 3.66Å; L286-L426 HydrophobicContact CD1-CG 3.8Å
287	V	89.1	Confident	88.5	Confident	54 Å²	54	54.5 Å²	54.5	33%	0.327	28%	0.282	S	S	.	.	H	α-helix	trans	-58.2	-40.6	-172.1	177.9	0	0	0	0	113.7	E277 C280 G285 K291	E277-V287 HydrophobicContact CG-CG1 4.01Å; C280-V287 HydrophobicContact CB-CG2 3.59Å; G285-V287 PolarHBondContact O-N 3.01Å; V287-K291 HydrophobicContact CG1-CD 4.27Å; V287-K291 WeakPolarHBondContact O-CG 3.41Å; V287-K291 PolarHBondContact O-N 3.47Å
288	L	87.6	Confident	88.6	Confident	147 Å²	147	49.6 Å²	49.6	77%	0.77	26%	0.259	S	S	*	.	H	α-helix	trans	-70.7	-49.9	-175.3	-65.3	177.3	0	0	0	112.3	L286 A290 K291 G292	L286-L288 PolarHBondContact O-N 3.25Å; L288-A290 VanDerWaalsContact C-N 3.3Å; L288-A290 PolarHBondContact O-N 2.93Å; L288-K291 PolarHBondContact O-N 3.4Å; L288-G292 PolarHBondContact O-N 3.44Å
289	E	86.4	Confident	88.6	Confident	33 Å²	33	49.5 Å²	49.5	15%	0.154	26%	0.259	C	S	.	.	H	α-helix	trans	-64.7	-36.4	176.5	-57.6	-75	-154.9	0	0	110.5	K291 G292 I293 H430 K490 Y544	E289-K291 PolarHBondContact O-N 2.82Å; E289-G292 PolarHBondContact O-N 2.89Å; E289-I293 WeakPolarHBondContact O-CG1 3.33Å; E289-I293 PolarHBondContact O-N 3.25Å; E289-H430 IonicContact OE1-CE1 2.74Å; E289-H430 IonicContact OE1-NE2 2.67Å; E289-K490 IonicContact OE1-NZ 3.28Å; E289-K490 PolarHBondContact OE1-NZ 2.96Å; E289-K490 IonicContact OE2-NZ 2.7Å; E289-K490 PolarHBondContact OE2-NZ 3.5Å; E289-Y544 PolarHBondContact OE1-OH 3.32Å
290	A	90.8	Very high	88.6	Confident	0 Å²	0	52.3 Å²	52.3	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-59.2	-45.4	173.1	0	0	0	0	0	112.8	H227 I276 L286 L288 K294	H227-A290 VanDerWaalsContact CD2-CB 3.45Å; H227-A290 WeakPolarHBondContact CD2-CB 3.25Å; I276-A290 HydrophobicContact CD1-CB 4.26Å; I276-A290 HydrophobicContact CG1-CB 3.89Å; L286-A290 VanDerWaalsContact O-CB 3.28Å; L286-A290 WeakPolarHBondContact O-CB 3.36Å; L286-A290 PolarHBondContact O-N 2.93Å; L288-A290 VanDerWaalsContact C-N 3.3Å; L288-A290 PolarHBondContact O-N 2.93Å; A290-K294 WeakPolarHBondContact O-CB 3.47Å; A290-K294 PolarHBondContact O-N 3.27Å
291	K	91.4	Very high	88.6	Confident	88 Å²	88	52.8 Å²	52.8	38%	0.383	28%	0.279	S	S	.	.	H	α-helix	trans	-64.9	-41.6	175.2	-76.7	-179.6	177.8	-173.6	0	111.7	I276 E277 V287 L288 E289 K294 E295	I276-K291 HydrophobicContact CG2-CG 4.36Å; E277-K291 WeakPolarHBondContact OE1-CE 3.3Å; E277-K291 IonicContact OE1-NZ 2.72Å; E277-K291 PolarHBondContact OE1-NZ 2.95Å; V287-K291 HydrophobicContact CG1-CD 4.27Å; V287-K291 WeakPolarHBondContact O-CG 3.41Å; V287-K291 PolarHBondContact O-N 3.47Å; L288-K291 PolarHBondContact O-N 3.4Å; E289-K291 PolarHBondContact O-N 2.82Å; K291-K294 PolarHBondContact O-N 3.45Å; K291-E295 WeakPolarHBondContact O-CB 3.29Å; K291-E295 PolarHBondContact O-N 3.16Å
292	G	88.3	Confident	88.9	Confident	23 Å²	23	48.7 Å²	48.7	24%	0.237	25%	0.25	C	C	.	.	H	α-helix	trans	-59.7	-47.1	175.9	0	0	0	0	0	112.5	L288 E289 E295 H296	L288-G292 PolarHBondContact O-N 3.44Å; E289-G292 PolarHBondContact O-N 2.89Å; G292-E295 PolarHBondContact O-N 3.36Å; G292-H296 WeakPolarHBondContact O-CB 3.38Å; G292-H296 PolarHBondContact O-CD2 3.3Å; G292-H296 VanDerWaalsContact O-CD2 3.3Å; G292-H296 PolarHBondContact O-N 3.23Å
293	I	89.1	Confident	89.2	Confident	10 Å²	10	51.4 Å²	51.4	5%	0.051	26%	0.256	C	S	.	.	H	α-helix	trans	-63.5	-41.5	175.5	-70.2	165.5	0	0	0	111	N224 H227 L228 E289 E295 F297 W298	N224-I293 HydrophobicContact CB-CD1 3.92Å; H227-I293 HydrophobicContact CB-CD1 3.54Å; L228-I293 HydrophobicContact CB-CG2 4.43Å; L228-I293 HydrophobicContact CD1-CG2 3.92Å; E289-I293 WeakPolarHBondContact O-CG1 3.33Å; E289-I293 PolarHBondContact O-N 3.25Å; I293-E295 PolarHBondContact O-N 3.02Å; I293-F297 PolarHBondContact O-N 2.86Å; I293-W298 PolarHBondContact O-N 3.13Å
294	K	91.3	Very high	89.4	Confident	29 Å²	29	55.6 Å²	55.6	13%	0.126	27%	0.274	C	S	.	.	I	π-helix	trans	-60.3	-43.8	176.4	-172.1	169.4	173.8	173.8	0	112.4	D234 C274 A290 K291 K299	D234-K294 VanDerWaalsContact CG-NZ 3.26Å; D234-K294 IonicContact OD1-NZ 3.13Å; D234-K294 PolarHBondContact OD1-NZ 2.95Å; D234-K294 WeakPolarHBondContact OD2-CE 3.24Å; D234-K294 IonicContact OD2-NZ 2.66Å; D234-K294 PolarHBondContact OD2-NZ 3.46Å; C274-K294 PolarHBondContact SG-NZ 3.04Å; A290-K294 WeakPolarHBondContact O-CB 3.47Å; A290-K294 PolarHBondContact O-N 3.27Å; K291-K294 PolarHBondContact O-N 3.45Å; K294-K299 WeakPolarHBondContact O-CB 3.47Å; K294-K299 WeakPolarHBondContact O-CG 3.32Å; K294-K299 PolarHBondContact O-N 3.48Å
295	E	89.7	Confident	89.9	Confident	97 Å²	97	51.9 Å²	51.9	45%	0.453	25%	0.254	S	S	.	.	I	π-helix	trans	-82.3	-47.2	-173	-153.9	62.9	-140.5	0	0	113.3	K291 G292 I293 K299 P300	K291-E295 WeakPolarHBondContact O-CB 3.29Å; K291-E295 PolarHBondContact O-N 3.16Å; G292-E295 PolarHBondContact O-N 3.36Å; I293-E295 PolarHBondContact O-N 3.02Å; E295-K299 VanDerWaalsContact OE1-CD 3.24Å; E295-K299 WeakPolarHBondContact OE1-CD 3.49Å; E295-K299 IonicContact OE1-NZ 2.62Å; E295-K299 PolarHBondContact OE1-NZ 3.05Å; E295-K299 WeakPolarHBondContact OE2-CE 3.37Å; E295-K299 IonicContact OE2-NZ 3.18Å; E295-K299 PolarHBondContact OE2-NZ 2.91Å; E295-P300 WeakPolarHBondContact O-CD 3.46Å
296	H	85.8	Confident	90.2	Very high	139 Å²	139	51.9 Å²	51.9	64%	0.644	25%	0.25	S	S	*	.	I	π-helix	trans	-92	-23.2	-170.1	-59.5	-69.8	0	0	0	114.2	G292	G292-H296 WeakPolarHBondContact O-CB 3.38Å; G292-H296 PolarHBondContact O-CD2 3.3Å; G292-H296 VanDerWaalsContact O-CD2 3.3Å; G292-H296 PolarHBondContact O-N 3.23Å
297	F	87	Confident	90.4	Very high	56 Å²	56	55.7 Å²	55.7	25%	0.246	27%	0.268	C	S	.	.	I	π-helix	trans	-116	-54.5	-176.2	-61.5	-98.4	0	0	0	111.9	F215 I218 I293 Y301	F215-F297 HydrophobicContact CD1-CD1 4.17Å; F215-F297 HydrophobicContact CE1-CB 4.4Å; F215-F297 AromaticContact CE1-CD1 3.99Å; F215-F297 HydrophobicContact CE1-CD1 3.99Å; F215-F297 HydrophobicContact CE2-CB 4.38Å; F215-F297 HydrophobicContact CZ-CB 4.02Å; F215-F297 HydrophobicContact CZ-CD1 4.45Å; I218-F297 HydrophobicContact CD1-CB 4.31Å; I218-F297 HydrophobicContact CD1-CD1 3.9Å; I218-F297 HydrophobicContact CD1-CE1 4.45Å; I218-F297 HydrophobicContact CD1-CG 4.11Å; I293-F297 PolarHBondContact O-N 2.86Å; F297-Y301 VanDerWaalsContact O-CB 3.26Å; F297-Y301 WeakPolarHBondContact O-CB 3.43Å; F297-Y301 PolarHBondContact O-N 2.98Å
298	W	92.1	Very high	90.5	Very high	4 Å²	4	58.9 Å²	58.9	2%	0.015	28%	0.277	C	S	.	.	I	π-helix	trans	-68.4	-57.1	-173.5	-174.2	-109.2	0	0	0	112.9	L207 A211 L228 C231 A232 L235 I293 Y301 I302	L207-W298 HydrophobicContact CD2-CH2 4.22Å; L207-W298 HydrophobicContact CD2-CZ2 4.27Å; L207-W298 HydrophobicContact CG-CH2 4.07Å; A211-W298 HydrophobicContact CB-CE3 4.29Å; A211-W298 HydrophobicContact CB-CH2 4.41Å; A211-W298 HydrophobicContact CB-CZ3 3.56Å; L228-W298 HydrophobicContact CD1-CE3 3.66Å; L228-W298 HydrophobicContact CD1-CZ3 4.23Å; L228-W298 HydrophobicContact CG-CE3 4.16Å; L228-W298 HydrophobicContact CG-CZ3 4.25Å; C231-W298 HydrophobicContact CB-CB 4.19Å; C231-W298 HydrophobicContact CB-CD2 3.87Å; C231-W298 HydrophobicContact CB-CE3 4.48Å; C231-W298 HydrophobicContact CB-CG 3.71Å; C231-W298 PolarHBondContact O-NE1 3.11Å; A232-W298 VanDerWaalsContact CA-CZ2 3.4Å; A232-W298 HydrophobicContact CB-CH2 3.55Å; A232-W298 HydrophobicContact CB-CZ2 3.82Å; A232-W298 HydrophobicContact CB-CZ3 4.35Å; L235-W298 HydrophobicContact CB-CZ2 4.36Å; L235-W298 HydrophobicContact CD2-CZ2 3.78Å; I293-W298 PolarHBondContact O-N 3.13Å; W298-Y301 PolarHBondContact O-N 2.86Å; W298-I302 HydrophobicContact CD2-CD1 4.29Å; W298-I302 HydrophobicContact CD2-CG1 3.9Å; W298-I302 HydrophobicContact CE3-CD1 4.46Å; W298-I302 HydrophobicContact CE3-CG1 4.45Å; W298-I302 HydrophobicContact CG-CG1 4.25Å; W298-I302 HydrophobicContact CH2-CD1 3.85Å; W298-I302 HydrophobicContact CH2-CG1 4.48Å; W298-I302 HydrophobicContact CZ2-CD1 3.59Å; W298-I302 HydrophobicContact CZ2-CG1 3.89Å; W298-I302 HydrophobicContact CZ3-CD1 4.29Å; W298-I302 WeakPolarHBondContact O-CG1 3.39Å; W298-I302 PolarHBondContact O-N 3.12Å
299	K	91.1	Very high	90.6	Very high	76 Å²	76	59.4 Å²	59.4	33%	0.33	27%	0.273	S	S	.	.	H	α-helix	trans	-53.3	-50.4	-179.2	-90.8	174.4	168.4	177.1	0	113.4	K294 E295 Y301 I302 R303 L318	K294-K299 WeakPolarHBondContact O-CB 3.47Å; K294-K299 WeakPolarHBondContact O-CG 3.32Å; K294-K299 PolarHBondContact O-N 3.48Å; E295-K299 VanDerWaalsContact OE1-CD 3.24Å; E295-K299 WeakPolarHBondContact OE1-CD 3.49Å; E295-K299 IonicContact OE1-NZ 2.62Å; E295-K299 PolarHBondContact OE1-NZ 3.05Å; E295-K299 WeakPolarHBondContact OE2-CE 3.37Å; E295-K299 IonicContact OE2-NZ 3.18Å; E295-K299 PolarHBondContact OE2-NZ 2.91Å; K299-Y301 VanDerWaalsContact C-N 3.35Å; K299-Y301 PolarHBondContact O-N 3.36Å; K299-I302 PolarHBondContact O-N 2.81Å; K299-R303 PolarHBondContact O-N 3.49Å; K299-R303 VanDerWaalsContact O-N 3.14Å; K299-L318 HydrophobicContact CG-CD1 4.38Å
300	P	90.4	Very high	90.8	Very high	59 Å²	59	59 Å²	59	38%	0.383	27%	0.272	S	S	.	.	H	α-helix	trans	-62.7	-39.3	178	-24.5	35.7	0	0	0	112.9	E295 R303 K304	E295-P300 WeakPolarHBondContact O-CD 3.46Å; P300-R303 PolarHBondContact O-N 2.9Å; P300-K304 PolarHBondContact O-N 3.39Å
301	Y	91.4	Very high	90.9	Very high	13 Å²	13	59.1 Å²	59.1	5%	0.051	27%	0.273	C	S	.	.	H	α-helix	trans	-68.1	-41.7	179.2	-178.6	-94.6	0	0	0	112.8	Y210 A211 N214 F215 F297 W298 K299 R303 K304 L305	Y210-Y301 WeakPolarHBondContact CD1-OH 3.25Å; Y210-Y301 VanDerWaalsContact CE1-OH 3.24Å; Y210-Y301 WeakPolarHBondContact CE1-OH 3.32Å; Y210-Y301 PolarHBondContact O-OH 3.13Å; A211-Y301 HydrophobicContact CB-CD1 3.96Å; A211-Y301 HydrophobicContact CB-CE1 3.57Å; N214-Y301 HydrophobicContact CB-CD2 4.3Å; N214-Y301 HydrophobicContact CB-CE2 3.48Å; N214-Y301 VanDerWaalsContact CB-CE2 3.48Å; N214-Y301 VanDerWaalsContact CG-CE2 3.48Å; N214-Y301 PolarHBondContact ND2-OH 2.97Å; F215-Y301 HydrophobicContact CE2-CD2 4.26Å; F215-Y301 HydrophobicContact CE2-CG 4.09Å; F215-Y301 HydrophobicContact CZ-CD2 4.1Å; F215-Y301 HydrophobicContact CZ-CG 4.09Å; F297-Y301 VanDerWaalsContact O-CB 3.26Å; F297-Y301 WeakPolarHBondContact O-CB 3.43Å; F297-Y301 PolarHBondContact O-N 2.98Å; W298-Y301 PolarHBondContact O-N 2.86Å; K299-Y301 VanDerWaalsContact C-N 3.35Å; K299-Y301 PolarHBondContact O-N 3.36Å; Y301-R303 VanDerWaalsContact C-N 3.33Å; Y301-R303 PolarHBondContact O-N 3.29Å; Y301-K304 CarbonylContact O-C 3.52Å; Y301-K304 WeakPolarHBondContact O-CA 3.38Å; Y301-K304 VanDerWaalsContact O-CB 3.3Å; Y301-K304 WeakPolarHBondContact O-CB 3.47Å; Y301-K304 PolarHBondContact O-N 2.87Å; Y301-K304 VanDerWaalsContact O-N 3.14Å; Y301-L305 HydrophobicContact CD1-CD1 4.37Å; Y301-L305 HydrophobicContact CD1-CG 4.32Å; Y301-L305 HydrophobicContact CE1-CD1 3.88Å; Y301-L305 HydrophobicContact CE1-CD2 3.94Å; Y301-L305 HydrophobicContact CE1-CG 3.97Å; Y301-L305 PolarHBondContact O-N 3.39Å
302	I	94.3	Very high	90.7	Very high	0 Å²	0	58.7 Å²	58.7	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-65.2	-37	176.8	-62.9	-61.7	0	0	0	111	L207 L235 W298 K299 L305 Y306 L311 L318	L207-I302 HydrophobicContact CD1-CD1 4.08Å; L235-I302 HydrophobicContact CD2-CD1 4.02Å; L235-I302 HydrophobicContact CD2-CG1 4.03Å; L235-I302 HydrophobicContact CD2-CG2 3.9Å; W298-I302 HydrophobicContact CD2-CD1 4.29Å; W298-I302 HydrophobicContact CD2-CG1 3.9Å; W298-I302 HydrophobicContact CE3-CD1 4.46Å; W298-I302 HydrophobicContact CE3-CG1 4.45Å; W298-I302 HydrophobicContact CG-CG1 4.25Å; W298-I302 HydrophobicContact CH2-CD1 3.85Å; W298-I302 HydrophobicContact CH2-CG1 4.48Å; W298-I302 HydrophobicContact CZ2-CD1 3.59Å; W298-I302 HydrophobicContact CZ2-CG1 3.89Å; W298-I302 HydrophobicContact CZ3-CD1 4.29Å; W298-I302 WeakPolarHBondContact O-CG1 3.39Å; W298-I302 PolarHBondContact O-N 3.12Å; K299-I302 PolarHBondContact O-N 2.81Å; I302-L305 HydrophobicContact CD1-CD1 3.96Å; I302-L305 WeakPolarHBondContact O-CB 3.49Å; I302-L305 PolarHBondContact O-N 2.67Å; I302-L305 VanDerWaalsContact O-N 3.11Å; I302-Y306 HydrophobicContact CG2-CD2 4.33Å; I302-Y306 HydrophobicContact CG2-CE2 4.07Å; I302-Y306 WeakPolarHBondContact O-CD2 3.41Å; I302-Y306 PolarHBondContact O-N 3.17Å; I302-L311 HydrophobicContact CG2-CD1 3.83Å; I302-L318 HydrophobicContact CB-CD1 4.33Å; I302-L318 HydrophobicContact CG2-CB 4.34Å; I302-L318 HydrophobicContact CG2-CD1 4.1Å; I302-L318 HydrophobicContact CG2-CD2 4.19Å; I302-L318 HydrophobicContact CG2-CG 4.45Å
303	R	92.2	Very high	90.7	Very high	115 Å²	115	59.5 Å²	59.5	43%	0.434	28%	0.279	S	S	.	.	H	α-helix	trans	-59.1	-46.5	169.9	-166.5	-176.8	-68.2	128.3	-0.5	111.6	K299 P300 Y301 L305 Y306 E307 E315 L318	K299-R303 PolarHBondContact O-N 3.49Å; K299-R303 VanDerWaalsContact O-N 3.14Å; P300-R303 PolarHBondContact O-N 2.9Å; Y301-R303 VanDerWaalsContact C-N 3.33Å; Y301-R303 PolarHBondContact O-N 3.29Å; R303-L305 PolarHBondContact O-N 3.46Å; R303-L305 VanDerWaalsContact O-N 3.1Å; R303-Y306 WeakPolarHBondContact O-CA 3.49Å; R303-Y306 WeakPolarHBondContact O-CB 3.33Å; R303-Y306 PolarHBondContact O-N 3.14Å; R303-E307 HydrophobicContact CG-CG 4.47Å; R303-E307 WeakPolarHBondContact CG-OE1 3.11Å; R303-E307 WeakPolarHBondContact O-CG 3.4Å; R303-E307 PolarHBondContact O-N 3.46Å; R303-E315 HydrophobicContact CG-CG 4.04Å; R303-L318 HydrophobicContact CB-CD2 4.16Å
304	K	92.2	Very high	90.5	Very high	105 Å²	105	65.5 Å²	65.5	46%	0.457	31%	0.305	S	S	.	.	H	α-helix	trans	-56.7	-25.2	173.7	-165	177.2	-174.5	175.3	0	113.9	P300 Y301 K308	P300-K304 PolarHBondContact O-N 3.39Å; Y301-K304 CarbonylContact O-C 3.52Å; Y301-K304 WeakPolarHBondContact O-CA 3.38Å; Y301-K304 VanDerWaalsContact O-CB 3.3Å; Y301-K304 WeakPolarHBondContact O-CB 3.47Å; Y301-K304 PolarHBondContact O-N 2.87Å; Y301-K304 VanDerWaalsContact O-N 3.14Å; K304-K308 WeakPolarHBondContact O-CB 3.11Å; K304-K308 VanDerWaalsContact O-CG 3.27Å; K304-K308 WeakPolarHBondContact O-CG 3.32Å; K304-K308 PolarHBondContact O-N 3.38Å
305	L	93.3	Very high	90.1	Very high	2 Å²	2	68 Å²	68	1%	0.01	32%	0.317	C	S	.	.	H	α-helix	trans	-77.9	-32.2	171.9	-59.8	-171.8	0	0	0	113.4	L207 Y210 Y301 I302 R303 K309 L310 L311	L207-L305 HydrophobicContact CD1-CD1 3.65Å; Y210-L305 HydrophobicContact CD1-CD2 4.31Å; Y210-L305 HydrophobicContact CE1-CD2 3.77Å; Y301-L305 HydrophobicContact CD1-CD1 4.37Å; Y301-L305 HydrophobicContact CD1-CG 4.32Å; Y301-L305 HydrophobicContact CE1-CD1 3.88Å; Y301-L305 HydrophobicContact CE1-CD2 3.94Å; Y301-L305 HydrophobicContact CE1-CG 3.97Å; Y301-L305 PolarHBondContact O-N 3.39Å; I302-L305 HydrophobicContact CD1-CD1 3.96Å; I302-L305 WeakPolarHBondContact O-CB 3.49Å; I302-L305 PolarHBondContact O-N 2.67Å; I302-L305 VanDerWaalsContact O-N 3.11Å; R303-L305 PolarHBondContact O-N 3.46Å; R303-L305 VanDerWaalsContact O-N 3.1Å; L305-K309 PolarHBondContact O-N 3.46Å; L305-L310 HydrophobicContact CB-CB 4.44Å; L305-L310 HydrophobicContact CD2-CD1 3.88Å; L305-L310 PolarHBondContact O-N 2.82Å; L305-L311 HydrophobicContact CB-CB 4.32Å; L305-L311 HydrophobicContact CB-CD1 3.87Å; L305-L311 HydrophobicContact CB-CG 3.9Å; L305-L311 HydrophobicContact CD1-CD1 4.05Å; L305-L311 HydrophobicContact CD1-CG 4.3Å; L305-L311 PolarHBondContact O-N 3.23Å
306	Y	92.4	Very high	89.7	Confident	12 Å²	12	71.9 Å²	71.9	5%	0.047	34%	0.335	C	S	.	.	H	α-helix	trans	-71.1	-45.9	171.1	-80	-83.8	0	0	0	111.3	I302 R303 K308 K309 L311 E315 L318 T319	I302-Y306 HydrophobicContact CG2-CD2 4.33Å; I302-Y306 HydrophobicContact CG2-CE2 4.07Å; I302-Y306 WeakPolarHBondContact O-CD2 3.41Å; I302-Y306 PolarHBondContact O-N 3.17Å; R303-Y306 WeakPolarHBondContact O-CA 3.49Å; R303-Y306 WeakPolarHBondContact O-CB 3.33Å; R303-Y306 PolarHBondContact O-N 3.14Å; Y306-K308 VanDerWaalsContact C-N 3.29Å; Y306-K308 PolarHBondContact O-N 3.29Å; Y306-K309 WeakPolarHBondContact O-CA 3.15Å; Y306-K309 PolarHBondContact O-N 3.31Å; Y306-L311 HydrophobicContact CD1-CB 3.93Å; Y306-L311 HydrophobicContact CD2-CB 3.99Å; Y306-L311 HydrophobicContact CD2-CD1 4.08Å; Y306-L311 HydrophobicContact CE1-CB 3.98Å; Y306-L311 HydrophobicContact CE2-CB 4.02Å; Y306-L311 HydrophobicContact CE2-CD1 3.8Å; Y306-L311 HydrophobicContact CG-CB 3.95Å; Y306-E315 HydrophobicContact CG-CB 4.39Å; Y306-E315 HydrophobicContact CG-CG 4.35Å; Y306-L318 HydrophobicContact CD2-CD2 3.83Å; Y306-L318 HydrophobicContact CE2-CB 4.05Å; Y306-L318 HydrophobicContact CE2-CD2 3.91Å; Y306-L318 PolarHBondContact OH-O 2.75Å; Y306-T319 PolarHBondContact OH-N 2.89Å; Y306-T319 PolarHBondContact OH-O 3.4Å
307	E	91.9	Very high	89.4	Confident	107 Å²	107	68.2 Å²	68.2	50%	0.5	32%	0.32	S	S	.	.	H	α-helix	trans	-52.7	-47.1	173.9	-67.1	162.8	-154.7	0	0	111.2	R303 K309	R303-E307 HydrophobicContact CG-CG 4.47Å; R303-E307 WeakPolarHBondContact CG-OE1 3.11Å; R303-E307 WeakPolarHBondContact O-CG 3.4Å; R303-E307 PolarHBondContact O-N 3.46Å; E307-K309 PolarHBondContact O-N 2.82Å
308	K	91.1	Very high	89.4	Confident	121 Å²	121	66.5 Å²	66.5	53%	0.526	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.1	-3.1	175.1	-74.4	-176.7	171.4	-167.9	0	114.6	K304 Y306 L310	K304-K308 WeakPolarHBondContact O-CB 3.11Å; K304-K308 VanDerWaalsContact O-CG 3.27Å; K304-K308 WeakPolarHBondContact O-CG 3.32Å; K304-K308 PolarHBondContact O-N 3.38Å; Y306-K308 VanDerWaalsContact C-N 3.29Å; Y306-K308 PolarHBondContact O-N 3.29Å; K308-L310 HydrophobicContact CB-CD1 4.13Å; K308-L310 HydrophobicContact CB-CG 4.02Å; K308-L310 HydrophobicContact CD-CD1 4.21Å; K308-L310 PolarHBondContact O-N 3.45Å
309	K	90.9	Very high	89.1	Confident	159 Å²	159	66.8 Å²	66.8	69%	0.691	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.9	22.7	-177.2	-55.1	173	-175.4	172.9	0	114.3	L305 Y306 E307 L311	L305-K309 PolarHBondContact O-N 3.46Å; Y306-K309 WeakPolarHBondContact O-CA 3.15Å; Y306-K309 PolarHBondContact O-N 3.31Å; E307-K309 PolarHBondContact O-N 2.82Å; K309-L311 CarbonylContact C-O 3.51Å
310	L	90.1	Very high	88.8	Confident	25 Å²	25	63.6 Å²	63.6	13%	0.131	31%	0.305	C	S	.	.	S	Bend	trans	-74.9	-43	170.4	-62.7	174.1	0	0	0	109.5	Y210 L305 K308 S330 A333 I334 A337	Y210-L310 HydrophobicContact CE1-CD1 4.12Å; L305-L310 HydrophobicContact CB-CB 4.44Å; L305-L310 HydrophobicContact CD2-CD1 3.88Å; L305-L310 PolarHBondContact O-N 2.82Å; K308-L310 HydrophobicContact CB-CD1 4.13Å; K308-L310 HydrophobicContact CB-CG 4.02Å; K308-L310 HydrophobicContact CD-CD1 4.21Å; K308-L310 PolarHBondContact O-N 3.45Å; L310-S330 VanDerWaalsContact O-CA 3.26Å; L310-S330 WeakPolarHBondContact O-CA 3.4Å; L310-S330 WeakPolarHBondContact O-CB 3.36Å; L310-S330 PolarHBondContact O-OG 3.14Å; L310-A333 HydrophobicContact CD2-CB 3.99Å; L310-I334 HydrophobicContact CB-CG1 4.23Å; L310-A337 HydrophobicContact CD1-CB 4.39Å; L310-A337 HydrophobicContact CD2-CB 4.18Å
311	L	92.3	Very high	88.6	Confident	2 Å²	2	60.8 Å²	60.8	1%	0.01	29%	0.286	C	S	.	.	S	Bend	trans	-92.2	147.6	162	-68.6	177.6	0	0	0	110.4	F203 I302 L305 Y306 K309 F321 S330 I334	F203-L311 HydrophobicContact CZ-CD2 3.97Å; I302-L311 HydrophobicContact CG2-CD1 3.83Å; L305-L311 HydrophobicContact CB-CB 4.32Å; L305-L311 HydrophobicContact CB-CD1 3.87Å; L305-L311 HydrophobicContact CB-CG 3.9Å; L305-L311 HydrophobicContact CD1-CD1 4.05Å; L305-L311 HydrophobicContact CD1-CG 4.3Å; L305-L311 PolarHBondContact O-N 3.23Å; Y306-L311 HydrophobicContact CD1-CB 3.93Å; Y306-L311 HydrophobicContact CD2-CB 3.99Å; Y306-L311 HydrophobicContact CD2-CD1 4.08Å; Y306-L311 HydrophobicContact CE1-CB 3.98Å; Y306-L311 HydrophobicContact CE2-CB 4.02Å; Y306-L311 HydrophobicContact CE2-CD1 3.8Å; Y306-L311 HydrophobicContact CG-CB 3.95Å; K309-L311 CarbonylContact C-O 3.51Å; L311-F321 HydrophobicContact CD2-CB 4.07Å; L311-F321 HydrophobicContact CD2-CD1 4.5Å; L311-F321 HydrophobicContact CD2-CD2 4.5Å; L311-F321 HydrophobicContact CD2-CG 4.13Å; L311-S330 WeakPolarHBondContact CA-OG 3.26Å; L311-I334 HydrophobicContact CD2-CD1 3.69Å; L311-I334 HydrophobicContact CG-CD1 4.3Å
312	K	88.3	Confident	88.4	Confident	78 Å²	78	60.4 Å²	60.4	34%	0.339	29%	0.285	S	S	.	.			trans	-130.2	137.8	176.9	-68.1	-170.8	177.9	-168.6	0	110.1	F321 N326 E329 S330	K312-F321 WeakPolarHBondContact O-CA 3.45Å; K312-F321 WeakPolarHBondContact O-CB 3.49Å; K312-F321 PolarHBondContact O-N 2.91Å; K312-N326 HydrophobicContact CB-CB 3.94Å; K312-E329 IonicContact NZ-OE2 2.67Å; K312-E329 PolarHBondContact NZ-OE2 3.03Å; K312-S330 PolarHBondContact N-OG 3.07Å; K312-S330 VanDerWaalsContact N-OG 3.12Å
313	G	87.1	Confident	88	Confident	40 Å²	40	64.4 Å²	64.4	41%	0.412	30%	0.304	S	S	.	.	S	Bend	trans	147.3	-149	-173.6	0	0	0	0	0	111.1	T319	G313-T319 CarbonylContact C-O 3.53Å; G313-T319 WeakPolarHBondContact CA-O 3.13Å
314	K	84.9	Confident	87.4	Confident	136 Å²	136	61.1 Å²	61.1	59%	0.591	30%	0.297	S	S	*	.	B	Isolated β-bridge	trans	-96.1	108.3	179.2	-56.9	176.6	-174.3	176	0	109.8	L318 T319	K314-L318 WeakPolarHBondContact O-CA 3.49Å; K314-L318 PolarHBondContact O-N 2.74Å; K314-L318 VanDerWaalsContact O-N 3.12Å; K314-T319 PolarHBondContact N-O 3.49Å; K314-T319 PolarHBondContact O-N 3.47Å
315	E	84	Confident	86.8	Confident	81 Å²	81	57.8 Å²	57.8	38%	0.379	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-40.7	-176.9	-173.8	177.7	145.3	0	0	112.8	R303 Y306 N317 L318	R303-E315 HydrophobicContact CG-CG 4.04Å; Y306-E315 HydrophobicContact CG-CB 4.39Å; Y306-E315 HydrophobicContact CG-CG 4.35Å; E315-N317 VanDerWaalsContact C-N 3.3Å; E315-N317 PolarHBondContact O-N 2.75Å; E315-L318 VanDerWaalsContact O-CD2 3.31Å; E315-L318 WeakPolarHBondContact O-CD2 3.41Å; E315-L318 PolarHBondContact O-N 3.43Å; E315-L318 VanDerWaalsContact O-N 3.1Å
316	E	80.5	Confident	86.4	Confident	179 Å²	179	59.1 Å²	59.1	84%	0.836	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.2	-46.9	-177.4	-66.1	167.8	-162.5	0	0	113
317	N	80.3	Confident	86.2	Confident	63 Å²	63	59 Å²	59	34%	0.337	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.1	-1.5	-178.1	-63.8	19.5	0	0	0	112.8	S270 E315 T319	S270-N317 PolarHBondContact O-ND2 2.77Å; E315-N317 VanDerWaalsContact C-N 3.3Å; E315-N317 PolarHBondContact O-N 2.75Å; N317-T319 HydrophobicContact CB-CG2 3.69Å; N317-T319 WeakPolarHBondContact O-CG2 3.4Å
318	L	87.2	Confident	86	Confident	19 Å²	19	55.8 Å²	55.8	10%	0.099	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	57.6	43.5	-171.3	-49.5	174.8	0	0	0	113.8	L235 N239 K299 I302 R303 Y306 K314 E315	L235-L318 HydrophobicContact CD1-CB 4.39Å; N239-L318 PolarHBondContact ND2-O 3.03Å; K299-L318 HydrophobicContact CG-CD1 4.38Å; I302-L318 HydrophobicContact CB-CD1 4.33Å; I302-L318 HydrophobicContact CG2-CB 4.34Å; I302-L318 HydrophobicContact CG2-CD1 4.1Å; I302-L318 HydrophobicContact CG2-CD2 4.19Å; I302-L318 HydrophobicContact CG2-CG 4.45Å; R303-L318 HydrophobicContact CB-CD2 4.16Å; Y306-L318 HydrophobicContact CD2-CD2 3.83Å; Y306-L318 HydrophobicContact CE2-CB 4.05Å; Y306-L318 HydrophobicContact CE2-CD2 3.91Å; Y306-L318 PolarHBondContact OH-O 2.75Å; K314-L318 WeakPolarHBondContact O-CA 3.49Å; K314-L318 PolarHBondContact O-N 2.74Å; K314-L318 VanDerWaalsContact O-N 3.12Å; E315-L318 VanDerWaalsContact O-CD2 3.31Å; E315-L318 WeakPolarHBondContact O-CD2 3.41Å; E315-L318 PolarHBondContact O-N 3.43Å; E315-L318 VanDerWaalsContact O-N 3.1Å
319	T	85.8	Confident	85.9	Confident	11 Å²	11	53.5 Å²	53.5	7%	0.067	29%	0.287	C	S	.	.	B	Isolated β-bridge	trans	-119.2	166.6	-172.4	68.7	0	0	0	0	114.1	N239 P272 Y306 G313 K314 N317	N239-T319 VanDerWaalsContact OD1-CA 3.27Å; N239-T319 WeakPolarHBondContact OD1-CA 3.48Å; P272-T319 HydrophobicContact CB-CG2 4.48Å; P272-T319 HydrophobicContact CG-CG2 4.29Å; Y306-T319 PolarHBondContact OH-N 2.89Å; Y306-T319 PolarHBondContact OH-O 3.4Å; G313-T319 CarbonylContact C-O 3.53Å; G313-T319 WeakPolarHBondContact CA-O 3.13Å; K314-T319 PolarHBondContact N-O 3.49Å; K314-T319 PolarHBondContact O-N 3.47Å; N317-T319 HydrophobicContact CB-CG2 3.69Å; N317-T319 WeakPolarHBondContact O-CG2 3.4Å
320	G	83.9	Confident	85.9	Confident	9 Å²	9	46 Å²	46	9%	0.093	25%	0.254	C	S	.	.			trans	90.7	0.5	167.8	0	0	0	0	0	116.5	N239 L322 E323 N326	N239-G320 PolarHBondContact OD1-N 3.19Å; G320-L322 VanDerWaalsContact C-N 3.27Å; G320-L322 PolarHBondContact O-N 3.44Å; G320-E323 WeakPolarHBondContact O-CB 3.44Å; G320-E323 WeakPolarHBondContact O-CG 3.38Å; G320-E323 PolarHBondContact O-N 2.69Å; G320-N326 PolarHBondContact O-ND2 3.18Å
321	F	87.6	Confident	86	Confident	0 Å²	0	47.1 Å²	47.1	0%	0	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72	-18.2	-179.2	67.6	-101.7	0	0	0	114.1	F203 L235 V236 N239 L311 K312 E323 F327	F203-F321 HydrophobicContact CD1-CE2 4.27Å; F203-F321 AromaticContact CE1-CD2 3.78Å; F203-F321 HydrophobicContact CE1-CD2 3.78Å; F203-F321 AromaticContact CE1-CE2 3.33Å; F203-F321 HydrophobicContact CE1-CE2 3.33Å; F203-F321 HydrophobicContact CE1-CZ 4.18Å; F203-F321 HydrophobicContact CE2-CD2 4.45Å; F203-F321 AromaticContact CZ-CD2 3.57Å; F203-F321 HydrophobicContact CZ-CD2 3.57Å; F203-F321 AromaticContact CZ-CE2 3.64Å; F203-F321 HydrophobicContact CZ-CE2 3.64Å; L235-F321 HydrophobicContact CD1-CE1 4.3Å; L235-F321 HydrophobicContact CD2-CE1 4.1Å; L235-F321 HydrophobicContact CD2-CZ 4.36Å; L235-F321 HydrophobicContact CG-CE1 3.91Å; L235-F321 HydrophobicContact CG-CZ 4.14Å; V236-F321 HydrophobicContact CG2-CE2 4.28Å; V236-F321 HydrophobicContact CG2-CZ 4.04Å; N239-F321 HydrophobicContact CB-CE1 4.01Å; N239-F321 HydrophobicContact CB-CZ 3.97Å; N239-F321 WeakPolarHBondContact ND2-CE1 3.44Å; N239-F321 WeakPolarHBondContact OD1-CD1 3.28Å; L311-F321 HydrophobicContact CD2-CB 4.07Å; L311-F321 HydrophobicContact CD2-CD1 4.5Å; L311-F321 HydrophobicContact CD2-CD2 4.5Å; L311-F321 HydrophobicContact CD2-CG 4.13Å; K312-F321 WeakPolarHBondContact O-CA 3.45Å; K312-F321 WeakPolarHBondContact O-CB 3.49Å; K312-F321 PolarHBondContact O-N 2.91Å; F321-E323 VanDerWaalsContact C-N 3.34Å; F321-F327 WeakPolarHBondContact O-CA 3.4Å; F321-F327 WeakPolarHBondContact O-CB 3.38Å; F321-F327 PolarHBondContact O-N 2.79Å
322	L	86.8	Confident	85.9	Confident	5 Å²	5	54.4 Å²	54.4	3%	0.026	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.2	-0.2	172.8	-63.1	-175.9	0	0	0	113.8	I200 V236 N239 A240 G320 F327	I200-L322 HydrophobicContact CG1-CD2 4.41Å; V236-L322 HydrophobicContact CG1-CD1 4.37Å; N239-L322 HydrophobicContact CB-CD1 3.84Å; N239-L322 HydrophobicContact CB-CG 4.07Å; A240-L322 HydrophobicContact CB-CD1 4.02Å; G320-L322 VanDerWaalsContact C-N 3.27Å; G320-L322 PolarHBondContact O-N 3.44Å; L322-F327 HydrophobicContact CD2-CD2 3.7Å; L322-F327 HydrophobicContact CD2-CE2 3.81Å
323	E	85.2	Confident	86.2	Confident	84 Å²	84	52.1 Å²	52.1	39%	0.393	29%	0.285	S	S	.	.	S	Bend	trans	-65.1	142.8	175.2	-69.4	177.6	-176.1	0	0	111.1	G320 F321 G325 N326 F327	G320-E323 WeakPolarHBondContact O-CB 3.44Å; G320-E323 WeakPolarHBondContact O-CG 3.38Å; G320-E323 PolarHBondContact O-N 2.69Å; F321-E323 VanDerWaalsContact C-N 3.34Å; E323-G325 PolarHBondContact O-N 3.07Å; E323-N326 PolarHBondContact O-N 3.35Å; E323-N326 PolarHBondContact OE2-ND2 2.96Å; E323-F327 PolarHBondContact O-N 2.85Å
324	P	79.1	Confident	86.5	Confident	45 Å²	45	50.3 Å²	50.3	29%	0.292	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-18.5	178.5	-23.4	32.8	0	0	0	114.5	R192 P194	R192-P324 WeakPolarHBondContact CB-O 3.37Å; R192-P324 WeakPolarHBondContact CD-O 3.31Å; P194-P324 HydrophobicContact CB-CG 4.32Å; P194-P324 HydrophobicContact CG-CG 4.39Å
325	G	79.3	Confident	86.9	Confident	35 Å²	35	45.4 Å²	45.4	36%	0.361	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.3	-37.5	170.2	0	0	0	0	0	113.2	R192 E323	R192-G325 PolarHBondContact NH1-O 3.19Å; E323-G325 PolarHBondContact O-N 3.07Å
326	N	86.6	Confident	87.3	Confident	31 Å²	31	47.7 Å²	47.7	17%	0.166	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.9	-43.4	-166	-62	-31.3	0	0	0	112.9	K312 G320 E323 G328 E329 S330	K312-N326 HydrophobicContact CB-CB 3.94Å; G320-N326 PolarHBondContact O-ND2 3.18Å; E323-N326 PolarHBondContact O-N 3.35Å; E323-N326 PolarHBondContact OE2-ND2 2.96Å; N326-G328 PolarHBondContact O-N 3.04Å; N326-E329 PolarHBondContact O-N 3.2Å; N326-S330 PolarHBondContact O-N 3.37Å
327	F	88.4	Confident	87.8	Confident	8 Å²	8	39.7 Å²	39.7	4%	0.035	22%	0.22	C	C	.	.	H	α-helix	trans	-54.2	-50.6	-166.2	-179.3	-101.2	0	0	0	114	C195 E199 F203 F321 L322 E323 E329 S330 F331	C195-F327 HydrophobicContact CB-CD1 3.54Å; C195-F327 HydrophobicContact CB-CE1 3.47Å; C195-F327 VanDerWaalsContact CB-CE1 3.47Å; C195-F327 HydrophobicContact CB-CG 4.12Å; C195-F327 HydrophobicContact CB-CZ 4.01Å; E199-F327 HydrophobicContact CB-CE1 4.01Å; E199-F327 HydrophobicContact CB-CZ 4.14Å; F203-F327 HydrophobicContact CB-CE2 3.81Å; F203-F327 HydrophobicContact CB-CZ 3.9Å; F203-F327 HydrophobicContact CD1-CE2 4.33Å; F203-F327 HydrophobicContact CD2-CD2 4.25Å; F203-F327 AromaticContact CD2-CE2 3.57Å; F203-F327 HydrophobicContact CD2-CE2 3.57Å; F203-F327 HydrophobicContact CD2-CZ 4.21Å; F203-F327 HydrophobicContact CE2-CE2 4.25Å; F203-F327 AromaticContact CG-CE2 3.64Å; F203-F327 HydrophobicContact CG-CE2 3.64Å; F203-F327 HydrophobicContact CG-CZ 4.22Å; F321-F327 WeakPolarHBondContact O-CA 3.4Å; F321-F327 WeakPolarHBondContact O-CB 3.38Å; F321-F327 PolarHBondContact O-N 2.79Å; L322-F327 HydrophobicContact CD2-CD2 3.7Å; L322-F327 HydrophobicContact CD2-CE2 3.81Å; E323-F327 PolarHBondContact O-N 2.85Å; F327-E329 PolarHBondContact O-N 2.68Å; F327-S330 PolarHBondContact O-N 2.73Å; F327-F331 HydrophobicContact CZ-CB 4.46Å; F327-F331 WeakPolarHBondContact O-CB 3.43Å; F327-F331 PolarHBondContact O-N 3.07Å
328	G	86.2	Confident	88.3	Confident	41 Å²	41	36.8 Å²	36.8	42%	0.423	20%	0.204	S	C	.	.	H	α-helix	trans	-67.9	-14.1	-176.8	0	0	0	0	0	115	N326 K332	N326-G328 PolarHBondContact O-N 3.04Å; G328-K332 WeakPolarHBondContact O-CD 3.43Å; G328-K332 WeakPolarHBondContact O-CG 3.22Å
329	E	88.5	Confident	88.4	Confident	72 Å²	72	40.2 Å²	40.2	34%	0.336	22%	0.22	S	C	.	.	H	α-helix	trans	-92.4	-44.4	171.2	-68.3	-179.4	-161.1	0	0	110.7	R192 K312 N326 F327 K332 A333	R192-E329 IonicContact CZ-OE1 3.38Å; R192-E329 IonicContact NH1-OE1 3.71Å; R192-E329 PolarHBondContact NH1-OE1 3.12Å; R192-E329 IonicContact NH2-OE1 2.7Å; R192-E329 PolarHBondContact NH2-OE1 3.23Å; K312-E329 IonicContact NZ-OE2 2.67Å; K312-E329 PolarHBondContact NZ-OE2 3.03Å; N326-E329 PolarHBondContact O-N 3.2Å; F327-E329 PolarHBondContact O-N 2.68Å; E329-K332 PolarHBondContact O-N 2.79Å; E329-A333 WeakPolarHBondContact O-CB 3.3Å; E329-A333 PolarHBondContact O-N 3.04Å
330	S	91.5	Very high	88.5	Confident	1 Å²	1	44.5 Å²	44.5	1%	0.007	24%	0.239	C	C	.	.	H	α-helix	trans	-65.4	-40.8	177.8	-76.9	0	0	0	0	113.8	L310 L311 K312 N326 F327 K332 A333 I334	L310-S330 VanDerWaalsContact O-CA 3.26Å; L310-S330 WeakPolarHBondContact O-CA 3.4Å; L310-S330 WeakPolarHBondContact O-CB 3.36Å; L310-S330 PolarHBondContact O-OG 3.14Å; L311-S330 WeakPolarHBondContact CA-OG 3.26Å; K312-S330 PolarHBondContact N-OG 3.07Å; K312-S330 VanDerWaalsContact N-OG 3.12Å; N326-S330 PolarHBondContact O-N 3.37Å; F327-S330 PolarHBondContact O-N 2.73Å; S330-K332 VanDerWaalsContact C-N 3.27Å; S330-K332 PolarHBondContact O-N 2.78Å; S330-A333 PolarHBondContact O-N 2.84Å; S330-I334 WeakPolarHBondContact O-CG1 3.47Å; S330-I334 PolarHBondContact O-N 2.96Å
331	F	91.4	Very high	88.6	Confident	49 Å²	49	46.4 Å²	46.4	22%	0.215	24%	0.244	C	C	.	.	H	α-helix	trans	-61.4	-36.6	176.4	-178.5	-133.7	0	0	0	112	H202 F203 F327 N335	H202-F331 HydrophobicContact CB-CE2 4.28Å; H202-F331 HydrophobicContact CB-CZ 3.97Å; F203-F331 HydrophobicContact CB-CD2 3.92Å; F203-F331 HydrophobicContact CB-CE2 4.13Å; F203-F331 HydrophobicContact CD2-CB 3.96Å; F203-F331 AromaticContact CD2-CD2 3.77Å; F203-F331 HydrophobicContact CD2-CD2 3.77Å; F203-F331 HydrophobicContact CD2-CG 4.24Å; F203-F331 HydrophobicContact CG-CD2 4.33Å; F327-F331 HydrophobicContact CZ-CB 4.46Å; F327-F331 WeakPolarHBondContact O-CB 3.43Å; F327-F331 PolarHBondContact O-N 3.07Å; F331-N335 WeakPolarHBondContact CD2-ND2 3.37Å; F331-N335 WeakPolarHBondContact CE2-ND2 3.47Å; F331-N335 WeakPolarHBondContact O-CB 3.49Å; F331-N335 PolarHBondContact O-N 3.44Å; F331-N335 VanDerWaalsContact O-N 3.17Å; F331-N335 PolarHBondContact O-ND2 2.81Å
332	K	91.7	Very high	88.4	Confident	156 Å²	156	46.6 Å²	46.6	68%	0.678	24%	0.244	S	C	*	.	H	α-helix	trans	-72.3	-42.3	174.5	-69.9	-177.2	179.9	-173.9	0	112.2	G328 E329 S330 N335 K336	G328-K332 WeakPolarHBondContact O-CD 3.43Å; G328-K332 WeakPolarHBondContact O-CG 3.22Å; E329-K332 PolarHBondContact O-N 2.79Å; S330-K332 VanDerWaalsContact C-N 3.27Å; S330-K332 PolarHBondContact O-N 2.78Å; K332-N335 PolarHBondContact O-N 3.36Å; K332-K336 WeakPolarHBondContact O-CB 3.43Å; K332-K336 PolarHBondContact O-N 2.88Å
333	A	93.4	Very high	88.1	Confident	30 Å²	30	49.2 Å²	49.2	25%	0.248	26%	0.258	C	S	.	.	H	α-helix	trans	-61.6	-44.8	179	0	0	0	0	0	112	L310 E329 S330 A337	L310-A333 HydrophobicContact CD2-CB 3.99Å; E329-A333 WeakPolarHBondContact O-CB 3.3Å; E329-A333 PolarHBondContact O-N 3.04Å; S330-A333 PolarHBondContact O-N 2.84Å; A333-A337 WeakPolarHBondContact O-CB 3.44Å; A333-A337 PolarHBondContact O-N 2.78Å
334	I	93.4	Very high	87.6	Confident	2 Å²	2	47.9 Å²	47.9	1%	0.01	26%	0.258	C	S	.	.	H	α-helix	trans	-69.8	-42.1	178.5	-62.1	170.3	0	0	0	111.2	F203 V206 L207 Y210 L310 L311 S330 K336 A337 Y338	F203-I334 HydrophobicContact CE2-CD1 4.08Å; F203-I334 HydrophobicContact CZ-CD1 4.26Å; V206-I334 HydrophobicContact CG1-CG2 3.92Å; L207-I334 HydrophobicContact CD1-CD1 4.12Å; Y210-I334 HydrophobicContact CD1-CG2 4.13Å; Y210-I334 HydrophobicContact CG-CG2 4.3Å; L310-I334 HydrophobicContact CB-CG1 4.23Å; L311-I334 HydrophobicContact CD2-CD1 3.69Å; L311-I334 HydrophobicContact CG-CD1 4.3Å; S330-I334 WeakPolarHBondContact O-CG1 3.47Å; S330-I334 PolarHBondContact O-N 2.96Å; I334-K336 VanDerWaalsContact C-N 3.34Å; I334-K336 PolarHBondContact O-N 3.46Å; I334-A337 PolarHBondContact O-N 2.93Å; I334-Y338 WeakPolarHBondContact O-CB 3.48Å; I334-Y338 PolarHBondContact O-N 3.3Å
335	N	93.3	Very high	87.2	Confident	33 Å²	33	47.9 Å²	47.9	18%	0.176	26%	0.257	C	S	.	.	H	α-helix	trans	-57.8	-46.2	175.1	-93	-79.7	0	0	0	112.1	F331 K332 Y338 E339 R351	F331-N335 WeakPolarHBondContact CD2-ND2 3.37Å; F331-N335 WeakPolarHBondContact CE2-ND2 3.47Å; F331-N335 WeakPolarHBondContact O-CB 3.49Å; F331-N335 PolarHBondContact O-N 3.44Å; F331-N335 VanDerWaalsContact O-N 3.17Å; F331-N335 PolarHBondContact O-ND2 2.81Å; K332-N335 PolarHBondContact O-N 3.36Å; N335-Y338 PolarHBondContact O-N 3.06Å; N335-E339 WeakPolarHBondContact O-CB 3.3Å; N335-E339 PolarHBondContact O-N 3.44Å; N335-R351 PolarHBondContact OD1-NH1 2.95Å
336	K	92.8	Very high	86.6	Confident	129 Å²	129	46.3 Å²	46.3	56%	0.561	24%	0.241	S	C	*	.	H	α-helix	trans	-62.5	-43.5	177.3	-173.5	172.3	-174.8	-72.5	0	111.9	K332 I334 Y338 E339 E340	K332-K336 WeakPolarHBondContact O-CB 3.43Å; K332-K336 PolarHBondContact O-N 2.88Å; I334-K336 VanDerWaalsContact C-N 3.34Å; I334-K336 PolarHBondContact O-N 3.46Å; K336-Y338 VanDerWaalsContact C-N 3.34Å; K336-Y338 PolarHBondContact O-N 3.36Å; K336-E339 PolarHBondContact O-N 3.29Å; K336-E340 IonicContact NZ-OE1 2.75Å; K336-E340 PolarHBondContact NZ-OE1 3.23Å; K336-E340 WeakPolarHBondContact O-CB 3.37Å; K336-E340 VanDerWaalsContact O-CG 3.32Å; K336-E340 WeakPolarHBondContact O-CG 3.36Å; K336-E340 PolarHBondContact O-N 3.19Å
337	A	91.4	Very high	85.9	Confident	11 Å²	11	46 Å²	46	9%	0.091	24%	0.24	C	C	.	.	H	α-helix	trans	-68.2	-30.7	178.7	0	0	0	0	0	113.3	Y210 L310 A333 I334 Y341	Y210-A337 HydrophobicContact CE1-CB 4.45Å; Y210-A337 HydrophobicContact CE2-CB 3.99Å; Y210-A337 WeakPolarHBondContact CE2-O 3.2Å; L310-A337 HydrophobicContact CD1-CB 4.39Å; L310-A337 HydrophobicContact CD2-CB 4.18Å; A333-A337 WeakPolarHBondContact O-CB 3.44Å; A333-A337 PolarHBondContact O-N 2.78Å; I334-A337 PolarHBondContact O-N 2.93Å; A337-Y341 WeakPolarHBondContact O-CB 3.44Å; A337-Y341 PolarHBondContact O-N 2.88Å
338	Y	91.1	Very high	85.7	Confident	1 Å²	1	46 Å²	46	0%	0.004	24%	0.24	C	C	.	.	H	α-helix	trans	-72.9	-40.3	172.1	-179.8	-102.7	0	0	0	111.8	I209 Y210 I334 N335 K336 Y341 V342 D349 E350 R351	I209-Y338 HydrophobicContact CB-CE2 4.12Å; I209-Y338 HydrophobicContact CD1-CD1 4.23Å; I209-Y338 HydrophobicContact CD1-CD2 4.47Å; I209-Y338 HydrophobicContact CD1-CE1 3.72Å; I209-Y338 HydrophobicContact CD1-CE2 4.01Å; I209-Y338 HydrophobicContact CG1-CD2 4.06Å; I209-Y338 HydrophobicContact CG1-CE1 4.33Å; I209-Y338 HydrophobicContact CG1-CE2 3.72Å; Y210-Y338 HydrophobicContact CD2-CD2 4.06Å; I334-Y338 WeakPolarHBondContact O-CB 3.48Å; I334-Y338 PolarHBondContact O-N 3.3Å; N335-Y338 PolarHBondContact O-N 3.06Å; K336-Y338 VanDerWaalsContact C-N 3.34Å; K336-Y338 PolarHBondContact O-N 3.36Å; Y338-Y341 HydrophobicContact CD2-CD1 4.27Å; Y338-Y341 HydrophobicContact CE2-CD1 4.21Å; Y338-Y341 WeakPolarHBondContact O-CB 3.36Å; Y338-Y341 PolarHBondContact O-N 3.21Å; Y338-V342 HydrophobicContact CD1-CG2 4.03Å; Y338-V342 HydrophobicContact CD2-CG2 4.47Å; Y338-V342 HydrophobicContact CE1-CG2 3.48Å; Y338-V342 VanDerWaalsContact CE1-CG2 3.48Å; Y338-V342 HydrophobicContact CE2-CG2 3.99Å; Y338-V342 HydrophobicContact CG-CG2 4.49Å; Y338-V342 VanDerWaalsContact CZ-CG2 3.43Å; Y338-V342 WeakPolarHBondContact O-CG2 3.25Å; Y338-V342 PolarHBondContact O-N 3.19Å; Y338-D349 WeakPolarHBondContact CE1-OD1 3.32Å; Y338-E350 WeakPolarHBondContact OH-CB 3.22Å; Y338-E350 PolarHBondContact OH-N 2.69Å; Y338-R351 HydrophobicContact CD1-CG 4.16Å; Y338-R351 HydrophobicContact CE1-CG 3.92Å
339	E	89.2	Confident	85.8	Confident	92 Å²	92	45.3 Å²	45.3	43%	0.43	23%	0.227	S	C	.	.	H	α-helix	trans	-63.9	-44.9	176.5	-167.6	163.7	139.8	0	0	112	N335 K336 Y341 V342 L343 R351	N335-E339 WeakPolarHBondContact O-CB 3.3Å; N335-E339 PolarHBondContact O-N 3.44Å; K336-E339 PolarHBondContact O-N 3.29Å; E339-Y341 VanDerWaalsContact C-N 3.27Å; E339-Y341 PolarHBondContact O-N 3.44Å; E339-V342 PolarHBondContact O-N 3.42Å; E339-L343 HydrophobicContact CG-CD1 4.22Å; E339-L343 WeakPolarHBondContact O-CB 3.47Å; E339-L343 VanDerWaalsContact O-CG 3.24Å; E339-L343 WeakPolarHBondContact O-CG 3.44Å; E339-L343 PolarHBondContact O-N 3.17Å; E339-R351 IonicContact OE2-CZ 2.61Å; E339-R351 IonicContact OE2-NH1 2.69Å; E339-R351 PolarHBondContact OE2-NH1 3.1Å; E339-R351 VanDerWaalsContact OE2-NH1 3.13Å; E339-R351 IonicContact OE2-NH2 2.57Å; E339-R351 PolarHBondContact OE2-NH2 3.19Å; E339-R351 VanDerWaalsContact OE2-NH2 3.13Å
340	E	87.6	Confident	85.9	Confident	101 Å²	101	42.2 Å²	42.2	47%	0.472	21%	0.212	S	C	.	.	H	α-helix	trans	-58.1	-37.3	171.4	-73.2	169.6	173.3	0	0	112.4	K336 S344	K336-E340 IonicContact NZ-OE1 2.75Å; K336-E340 PolarHBondContact NZ-OE1 3.23Å; K336-E340 WeakPolarHBondContact O-CB 3.37Å; K336-E340 VanDerWaalsContact O-CG 3.32Å; K336-E340 WeakPolarHBondContact O-CG 3.36Å; K336-E340 PolarHBondContact O-N 3.19Å; E340-S344 WeakPolarHBondContact O-CB 3.48Å; E340-S344 PolarHBondContact O-N 2.86Å; E340-S344 VanDerWaalsContact O-N 3.13Å; E340-S344 PolarHBondContact O-OG 3.18Å
341	Y	85.3	Confident	85.9	Confident	49 Å²	49	44.5 Å²	44.5	19%	0.192	22%	0.221	C	C	.	.	H	α-helix	trans	-69.1	-46.4	174.8	166.2	-91.2	0	0	0	112.7	G213 A337 Y338 E339 L343 S344 V345	G213-Y341 VanDerWaalsContact CA-OH 3.25Å; G213-Y341 WeakPolarHBondContact CA-OH 3.24Å; G213-Y341 WeakPolarHBondContact O-CE2 3.25Å; G213-Y341 VanDerWaalsContact O-CZ 3.31Å; G213-Y341 PolarHBondContact O-OH 2.94Å; A337-Y341 WeakPolarHBondContact O-CB 3.44Å; A337-Y341 PolarHBondContact O-N 2.88Å; Y338-Y341 HydrophobicContact CD2-CD1 4.27Å; Y338-Y341 HydrophobicContact CE2-CD1 4.21Å; Y338-Y341 WeakPolarHBondContact O-CB 3.36Å; Y338-Y341 PolarHBondContact O-N 3.21Å; E339-Y341 VanDerWaalsContact C-N 3.27Å; E339-Y341 PolarHBondContact O-N 3.44Å; Y341-L343 VanDerWaalsContact C-N 3.32Å; Y341-L343 PolarHBondContact O-N 3.3Å; Y341-S344 WeakPolarHBondContact CA-OG 3.48Å; Y341-S344 PolarHBondContact O-N 3.41Å; Y341-S344 PolarHBondContact O-OG 2.99Å; Y341-V345 HydrophobicContact CD2-CG2 3.98Å; Y341-V345 HydrophobicContact CE2-CG2 3.74Å; Y341-V345 WeakPolarHBondContact O-CG2 3.27Å; Y341-V345 PolarHBondContact O-N 3.42Å
342	V	83.7	Confident	85.7	Confident	3 Å²	3	42.8 Å²	42.8	2%	0.018	21%	0.213	C	C	.	.	H	α-helix	trans	-61	-42.1	178.1	169.8	0	0	0	0	111	Y338 E339 G346 N347 D349	Y338-V342 HydrophobicContact CD1-CG2 4.03Å; Y338-V342 HydrophobicContact CD2-CG2 4.47Å; Y338-V342 HydrophobicContact CE1-CG2 3.48Å; Y338-V342 VanDerWaalsContact CE1-CG2 3.48Å; Y338-V342 HydrophobicContact CE2-CG2 3.99Å; Y338-V342 HydrophobicContact CG-CG2 4.49Å; Y338-V342 VanDerWaalsContact CZ-CG2 3.43Å; Y338-V342 WeakPolarHBondContact O-CG2 3.25Å; Y338-V342 PolarHBondContact O-N 3.19Å; E339-V342 PolarHBondContact O-N 3.42Å; V342-G346 WeakPolarHBondContact O-CA 3.38Å; V342-G346 PolarHBondContact O-N 3.05Å; V342-N347 PolarHBondContact O-N 3.07Å; V342-D349 HydrophobicContact CG1-CB 4.2Å
343	L	80.9	Confident	85.6	Confident	61 Å²	61	36.1 Å²	36.1	32%	0.319	19%	0.185	S	C	.	.	H	α-helix	trans	-69.6	-34.7	179.4	-65.8	169.8	0	0	0	113	Y111 E339 Y341	Y111-L343 VanDerWaalsContact O-CD2 3.29Å; Y111-L343 WeakPolarHBondContact O-CD2 3.24Å; E339-L343 HydrophobicContact CG-CD1 4.22Å; E339-L343 WeakPolarHBondContact O-CB 3.47Å; E339-L343 VanDerWaalsContact O-CG 3.24Å; E339-L343 WeakPolarHBondContact O-CG 3.44Å; E339-L343 PolarHBondContact O-N 3.17Å; Y341-L343 VanDerWaalsContact C-N 3.32Å; Y341-L343 PolarHBondContact O-N 3.3Å
344	S	75.1	Confident	85.3	Confident	55 Å²	55	36.3 Å²	36.3	39%	0.385	18%	0.181	S	C	.	.	H	α-helix	trans	-82.3	-31.2	-178.3	51.8	0	0	0	0	114.5	E340 Y341	E340-S344 WeakPolarHBondContact O-CB 3.48Å; E340-S344 PolarHBondContact O-N 2.86Å; E340-S344 VanDerWaalsContact O-N 3.13Å; E340-S344 PolarHBondContact O-OG 3.18Å; Y341-S344 WeakPolarHBondContact CA-OG 3.48Å; Y341-S344 PolarHBondContact O-N 3.41Å; Y341-S344 PolarHBondContact O-OG 2.99Å
345	V	69.8	Low	84.7	Confident	46 Å²	46	38 Å²	38	28%	0.279	20%	0.2	S	C	.	.	H	α-helix	trans	-91	-20.9	175.4	-172.9	0	0	0	0	111.9	R148 Y341 N347	R148-V345 PolarHBondContact NH2-O 2.94Å; R148-V345 VanDerWaalsContact NH2-O 3.1Å; Y341-V345 HydrophobicContact CD2-CG2 3.98Å; Y341-V345 HydrophobicContact CE2-CG2 3.74Å; Y341-V345 WeakPolarHBondContact O-CG2 3.27Å; Y341-V345 PolarHBondContact O-N 3.42Å; V345-N347 WeakPolarHBondContact CG1-ND2 3.33Å
346	G	67.8	Low	83.9	Confident	2 Å²	2	45.7 Å²	45.7	2%	0.021	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	78.7	17.5	178.4	0	0	0	0	0	114.9	R96 V342	R96-G346 PolarHBondContact NH2-O 3.27Å; V342-G346 WeakPolarHBondContact O-CA 3.38Å; V342-G346 PolarHBondContact O-N 3.05Å
347	N	72.5	Confident	83	Confident	25 Å²	25	44 Å²	44	13%	0.134	23%	0.231	C	C	.	.			trans	-72.5	177.8	-176.9	-80.5	-22.1	0	0	0	113.1	L152 V342 V345	L152-N347 HydrophobicContact CD1-CB 4.48Å; V342-N347 PolarHBondContact O-N 3.07Å; V345-N347 WeakPolarHBondContact CG1-ND2 3.33Å
348	L	83.9	Confident	82.4	Confident	6 Å²	6	44.1 Å²	44.1	3%	0.031	23%	0.232	C	C	.	.			trans	-66.8	140.2	165.1	179.6	69.8	0	0	0	110.3	L125 L152 F156 E350	L125-L348 HydrophobicContact CD1-CD1 4.02Å; L125-L348 HydrophobicContact CD2-CD1 3.73Å; L125-L348 HydrophobicContact CD2-CD2 3.61Å; L125-L348 HydrophobicContact CD2-CG 4.34Å; L152-L348 HydrophobicContact CD1-CB 4.01Å; F156-L348 HydrophobicContact CB-CD2 3.91Å; F156-L348 HydrophobicContact CD2-CD2 3.6Å; F156-L348 HydrophobicContact CG-CD2 4.07Å; L348-E350 PolarHBondContact O-N 3.13Å
349	D	88.1	Confident	81.4	Confident	28 Å²	28	47.6 Å²	47.6	15%	0.15	25%	0.248	C	C	.	.			trans	-77.9	102.7	166.4	-166.4	-29.8	0	0	0	110.1	T115 Y338 V342 R351 I352	T115-D349 PolarHBondContact OG1-N 3.34Å; Y338-D349 WeakPolarHBondContact CE1-OD1 3.32Å; V342-D349 HydrophobicContact CG1-CB 4.2Å; D349-R351 PolarHBondContact O-N 2.83Å; D349-R351 VanDerWaalsContact O-N 3.13Å; D349-R351 WeakPolarHBondContact OD1-CB 3.48Å; D349-R351 VanDerWaalsContact OD1-CG 3.24Å; D349-R351 WeakPolarHBondContact OD1-CG 3.41Å; D349-R351 IonicContact OD1-CZ 3.72Å; D349-R351 PolarHBondContact OD1-N 3.4Å; D349-R351 IonicContact OD1-NE 2.61Å; D349-R351 PolarHBondContact OD1-NE 3.16Å; D349-R351 IonicContact OD1-NH2 3.21Å; D349-R351 IonicContact OD2-CZ 3.23Å; D349-R351 IonicContact OD2-NE 3.23Å; D349-R351 PolarHBondContact OD2-NE 2.99Å; D349-R351 VanDerWaalsContact OD2-NE 3.16Å; D349-R351 IonicContact OD2-NH2 2.71Å; D349-R351 PolarHBondContact OD2-NH2 2.88Å; D349-I352 WeakPolarHBondContact O-CB 3.4Å; D349-I352 VanDerWaalsContact O-CG2 3.29Å; D349-I352 WeakPolarHBondContact O-CG2 3.43Å; D349-I352 PolarHBondContact O-N 3.23Å; D349-I352 VanDerWaalsContact O-N 3.11Å
350	E	90.5	Very high	80.7	Confident	7 Å²	7	47.7 Å²	47.7	3%	0.033	25%	0.249	C	C	.	.	G	3₁₀ helix	trans	-71.8	1.4	-179.4	-57	176	-133	0	0	113.3	S159 W205 I209 K212 Y338 L348 I352 F353	S159-E350 PolarHBondContact OG-OE2 3.06Å; S159-E350 VanDerWaalsContact OG-OE2 3.07Å; W205-E350 PolarHBondContact NE1-O 2.89Å; I209-E350 HydrophobicContact CB-CB 4.21Å; I209-E350 HydrophobicContact CD1-CB 4.02Å; I209-E350 HydrophobicContact CG2-CB 3.9Å; I209-E350 WeakPolarHBondContact CG2-OE2 3.39Å; K212-E350 IonicContact NZ-OE1 3.13Å; K212-E350 PolarHBondContact NZ-OE1 3.35Å; K212-E350 IonicContact NZ-OE2 3.73Å; K212-E350 PolarHBondContact NZ-OE2 3.47Å; Y338-E350 WeakPolarHBondContact OH-CB 3.22Å; Y338-E350 PolarHBondContact OH-N 2.69Å; L348-E350 PolarHBondContact O-N 3.13Å; E350-I352 PolarHBondContact O-N 2.58Å; E350-F353 WeakPolarHBondContact O-CD2 3.39Å
351	R	91.2	Very high	80.3	Confident	49 Å²	49	45.2 Å²	45.2	19%	0.185	24%	0.237	C	C	.	.	G	3₁₀ helix	trans	-73.1	-11.7	165.9	-57.3	175.3	-69.4	-177.3	2.9	112.1	V206 I209 N335 Y338 E339 D349 F353 L354	V206-R351 HydrophobicContact CG2-CG 4.24Å; I209-R351 HydrophobicContact CD1-CG 3.81Å; N335-R351 PolarHBondContact OD1-NH1 2.95Å; Y338-R351 HydrophobicContact CD1-CG 4.16Å; Y338-R351 HydrophobicContact CE1-CG 3.92Å; E339-R351 IonicContact OE2-CZ 2.61Å; E339-R351 IonicContact OE2-NH1 2.69Å; E339-R351 PolarHBondContact OE2-NH1 3.1Å; E339-R351 VanDerWaalsContact OE2-NH1 3.13Å; E339-R351 IonicContact OE2-NH2 2.57Å; E339-R351 PolarHBondContact OE2-NH2 3.19Å; E339-R351 VanDerWaalsContact OE2-NH2 3.13Å; D349-R351 PolarHBondContact O-N 2.83Å; D349-R351 VanDerWaalsContact O-N 3.13Å; D349-R351 WeakPolarHBondContact OD1-CB 3.48Å; D349-R351 VanDerWaalsContact OD1-CG 3.24Å; D349-R351 WeakPolarHBondContact OD1-CG 3.41Å; D349-R351 IonicContact OD1-CZ 3.72Å; D349-R351 PolarHBondContact OD1-N 3.4Å; D349-R351 IonicContact OD1-NE 2.61Å; D349-R351 PolarHBondContact OD1-NE 3.16Å; D349-R351 IonicContact OD1-NH2 3.21Å; D349-R351 IonicContact OD2-CZ 3.23Å; D349-R351 IonicContact OD2-NE 3.23Å; D349-R351 PolarHBondContact OD2-NE 2.99Å; D349-R351 VanDerWaalsContact OD2-NE 3.16Å; D349-R351 IonicContact OD2-NH2 2.71Å; D349-R351 PolarHBondContact OD2-NH2 2.88Å; R351-F353 PolarHBondContact O-N 3.47Å; R351-F353 VanDerWaalsContact O-N 3.12Å; R351-L354 WeakPolarHBondContact O-CB 3.35Å; R351-L354 PolarHBondContact O-N 3.04Å
352	I	88.2	Confident	80.1	Confident	12 Å²	12	43.4 Å²	43.4	6%	0.062	23%	0.231	C	C	.	.	G	3₁₀ helix	trans	-49.5	-35.7	174.4	-168.6	173	0	0	0	113	T115 D349 E350 L354 G355 A358 E361 I362	T115-I352 HydrophobicContact CG2-CD1 4.31Å; D349-I352 WeakPolarHBondContact O-CB 3.4Å; D349-I352 VanDerWaalsContact O-CG2 3.29Å; D349-I352 WeakPolarHBondContact O-CG2 3.43Å; D349-I352 PolarHBondContact O-N 3.23Å; D349-I352 VanDerWaalsContact O-N 3.11Å; E350-I352 PolarHBondContact O-N 2.58Å; I352-L354 PolarHBondContact O-N 3.29Å; I352-G355 PolarHBondContact O-N 3.04Å; I352-A358 WeakPolarHBondContact O-CB 3.47Å; I352-E361 HydrophobicContact CD1-CB 3.85Å; I352-E361 HydrophobicContact CG1-CB 4.24Å; I352-I362 HydrophobicContact CD1-CG1 3.77Å; I352-I362 HydrophobicContact CG1-CD1 4.41Å; I352-I362 HydrophobicContact CG1-CG1 4.03Å
353	F	88.1	Confident	79.4	Confident	17 Å²	17	43.8 Å²	43.8	8%	0.075	24%	0.236	C	C	.	.	G	3₁₀ helix	trans	-67.7	-14.9	178.4	-57.2	-67.7	0	0	0	114.5	F156 A160 F163 W205 E350 R351 I362	F156-F353 HydrophobicContact CD2-CE1 4.42Å; F156-F353 AromaticContact CD2-CZ 3.78Å; F156-F353 HydrophobicContact CD2-CZ 3.78Å; F156-F353 AromaticContact CE2-CE1 3.84Å; F156-F353 HydrophobicContact CE2-CE1 3.84Å; F156-F353 AromaticContact CE2-CZ 3.66Å; F156-F353 HydrophobicContact CE2-CZ 3.66Å; A160-F353 HydrophobicContact CB-CE1 3.63Å; A160-F353 HydrophobicContact CB-CZ 3.72Å; F163-F353 HydrophobicContact CB-CB 4.38Å; F163-F353 HydrophobicContact CB-CD1 4.48Å; F163-F353 HydrophobicContact CB-CG 4.25Å; F163-F353 HydrophobicContact CD1-CB 3.85Å; F163-F353 HydrophobicContact CD1-CG 4.42Å; F163-F353 HydrophobicContact CD2-CB 3.65Å; F163-F353 HydrophobicContact CD2-CG 4.34Å; F163-F353 HydrophobicContact CE1-CB 3.97Å; F163-F353 VanDerWaalsContact CE1-O 3.3Å; F163-F353 WeakPolarHBondContact CE1-O 3.46Å; F163-F353 HydrophobicContact CE2-CB 3.78Å; F163-F353 HydrophobicContact CG-CB 3.68Å; F163-F353 HydrophobicContact CG-CG 4.08Å; F163-F353 HydrophobicContact CZ-CB 3.94Å; F163-F353 WeakPolarHBondContact CZ-O 3.38Å; W205-F353 AromaticContact CZ2-CD2 3.83Å; W205-F353 HydrophobicContact CZ2-CD2 3.83Å; W205-F353 HydrophobicContact CZ2-CE2 4.39Å; E350-F353 WeakPolarHBondContact O-CD2 3.39Å; R351-F353 PolarHBondContact O-N 3.47Å; R351-F353 VanDerWaalsContact O-N 3.12Å; F353-I362 HydrophobicContact CD1-CD1 3.52Å; F353-I362 HydrophobicContact CE1-CD1 3.67Å
354	L	87.4	Confident	78.5	Confident	33 Å²	33	42.2 Å²	42.2	17%	0.173	23%	0.228	C	C	.	.	G	3₁₀ helix	trans	-94.6	-3.7	177.6	-61.5	172.3	0	0	0	113.1	F163 F201 H202 W205 V206 R351 I352	F163-L354 HydrophobicContact CE2-CD2 3.83Å; F163-L354 HydrophobicContact CZ-CD2 4.12Å; F201-L354 HydrophobicContact CD1-CD2 3.99Å; F201-L354 HydrophobicContact CE1-CD2 3.63Å; H202-L354 HydrophobicContact CB-CD1 4.39Å; W205-L354 HydrophobicContact CB-CD1 4.26Å; W205-L354 HydrophobicContact CB-CD2 4.26Å; W205-L354 HydrophobicContact CG-CD1 4.29Å; W205-L354 HydrophobicContact CG-CD2 4.32Å; W205-L354 HydrophobicContact CG-CG 4.4Å; V206-L354 HydrophobicContact CG2-CD1 4.25Å; R351-L354 WeakPolarHBondContact O-CB 3.35Å; R351-L354 PolarHBondContact O-N 3.04Å; I352-L354 PolarHBondContact O-N 3.29Å
355	G	81.6	Confident	77.4	Confident	39 Å²	39	41.6 Å²	41.6	40%	0.402	22%	0.221	S	C	.	.	S	Bend	trans	-78.9	150.4	-178.3	0	0	0	0	0	113.3	I352 D357 A358	I352-G355 PolarHBondContact O-N 3.04Å; G355-D357 VanDerWaalsContact C-N 3.33Å; G355-A358 WeakPolarHBondContact O-CB 3.33Å; G355-A358 PolarHBondContact O-N 3.06Å
356	E	74.8	Confident	76.5	Confident	194 Å²	194	42 Å²	42	91%	0.907	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.9	-38.3	174.3	-64.2	177.2	-174.4	0	0	110.9	A358	E356-A358 VanDerWaalsContact C-N 3.26Å; E356-A358 PolarHBondContact O-N 3.36Å
357	D	74.6	Confident	75.4	Confident	93 Å²	93	48 Å²	48	50%	0.497	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.4	10	176.8	-48	-59.5	0	0	0	113.9	G355 E359 E360 E361	G355-D357 VanDerWaalsContact C-N 3.33Å; D357-E359 PolarHBondContact O-N 3.42Å; D357-E360 PolarHBondContact O-N 3.01Å; D357-E361 HydrophobicContact CB-CG 4.49Å; D357-E361 PolarHBondContact O-N 3.02Å
358	A	78.8	Confident	73.9	Confident	13 Å²	13	50.4 Å²	50.4	11%	0.107	27%	0.265	C	S	.	.	H	α-helix	trans	-56.2	-31.4	-171.4	0	0	0	0	0	113.8	I352 G355 E356 E360 I362	I352-A358 WeakPolarHBondContact O-CB 3.47Å; G355-A358 WeakPolarHBondContact O-CB 3.33Å; G355-A358 PolarHBondContact O-N 3.06Å; E356-A358 VanDerWaalsContact C-N 3.26Å; E356-A358 PolarHBondContact O-N 3.36Å; A358-E360 VanDerWaalsContact C-N 3.27Å; A358-E360 PolarHBondContact O-N 3.35Å; A358-I362 HydrophobicContact CB-CD1 4.34Å; A358-I362 WeakPolarHBondContact O-CB 3.24Å; A358-I362 WeakPolarHBondContact O-CD1 3.36Å; A358-I362 WeakPolarHBondContact O-CG1 3.4Å; A358-I362 PolarHBondContact O-N 3.23Å; A358-I362 VanDerWaalsContact O-N 3.12Å
359	E	70.3	Confident	71.9	Confident	74 Å²	74	56.4 Å²	56.4	35%	0.346	30%	0.297	S	S	.	.	H	α-helix	trans	-64.9	-30.2	176.7	-63.5	-154	130.1	0	0	113.3	D357 G363 T364 S366	D357-E359 PolarHBondContact O-N 3.42Å; E359-G363 CarbonylContact O-C 3.53Å; E359-G363 WeakPolarHBondContact O-CA 3.27Å; E359-G363 PolarHBondContact O-N 3.36Å; E359-T364 WeakPolarHBondContact CA-OG1 3.39Å; E359-T364 PolarHBondContact O-N 3.26Å; E359-S366 WeakPolarHBondContact OE1-CB 3.33Å; E359-S366 PolarHBondContact OE1-OG 3.12Å; E359-S366 WeakPolarHBondContact OE2-CB 3.47Å
360	E	74.6	Confident	69.6	Low	95 Å²	95	61.4 Å²	61.4	44%	0.444	32%	0.324	S	S	.	.	H	α-helix	trans	-83	-50.6	-179.4	-58.7	-174.1	-119.4	0	0	110.7	D357 A358 I362 G363 R367	D357-E360 PolarHBondContact O-N 3.01Å; A358-E360 VanDerWaalsContact C-N 3.27Å; A358-E360 PolarHBondContact O-N 3.35Å; E360-I362 PolarHBondContact O-N 3.27Å; E360-G363 PolarHBondContact O-N 3.32Å; E360-G363 VanDerWaalsContact O-N 3.11Å; E360-R367 VanDerWaalsContact CD-CZ 3.42Å; E360-R367 VanDerWaalsContact CD-NH2 3.35Å; E360-R367 IonicContact OE1-CZ 2.77Å; E360-R367 IonicContact OE1-NH1 2.72Å; E360-R367 PolarHBondContact OE1-NH1 2.87Å; E360-R367 IonicContact OE1-NH2 3.92Å; E360-R367 PolarHBondContact OE1-NH2 3.07Å; E360-R367 IonicContact OE2-CZ 3.22Å; E360-R367 IonicContact OE2-NH1 3.09Å; E360-R367 PolarHBondContact OE2-NH1 2.73Å; E360-R367 VanDerWaalsContact OE2-NH1 3.13Å
361	E	79.8	Confident	67.1	Low	48 Å²	48	63.8 Å²	63.8	22%	0.224	34%	0.344	C	S	.	.	H	α-helix	trans	-64.7	-30.1	-177.5	-55.4	-165.8	158	0	0	112.3	K119 L125 I352 D357	K119-E361 VanDerWaalsContact CE-OE1 3.25Å; K119-E361 WeakPolarHBondContact CE-OE1 3.49Å; K119-E361 WeakPolarHBondContact CE-OE2 3.29Å; K119-E361 IonicContact NZ-OE1 3.99Å; K119-E361 PolarHBondContact NZ-OE1 3.05Å; K119-E361 IonicContact NZ-OE2 2.7Å; K119-E361 PolarHBondContact NZ-OE2 3.24Å; L125-E361 PolarHBondContact N-O 2.97Å; I352-E361 HydrophobicContact CD1-CB 3.85Å; I352-E361 HydrophobicContact CG1-CB 4.24Å; D357-E361 HydrophobicContact CB-CG 4.49Å; D357-E361 PolarHBondContact O-N 3.02Å
362	I	81.3	Confident	64.8	Low	12 Å²	12	65.7 Å²	65.7	6%	0.062	38%	0.379	C	S	.	.	H	α-helix	trans	-84.4	-38.7	172.1	-59.7	169.1	0	0	0	111.3	I126 F156 I352 F353 A358 E360 T364	I126-I362 WeakPolarHBondContact CB-O 3.47Å; I126-I362 HydrophobicContact CD1-CG2 4.2Å; I126-I362 WeakPolarHBondContact CD1-O 3.26Å; I126-I362 WeakPolarHBondContact CG1-O 3.27Å; I126-I362 PolarHBondContact N-O 2.92Å; F156-I362 HydrophobicContact CE2-CG2 4.09Å; F156-I362 HydrophobicContact CZ-CG2 3.66Å; I352-I362 HydrophobicContact CD1-CG1 3.77Å; I352-I362 HydrophobicContact CG1-CD1 4.41Å; I352-I362 HydrophobicContact CG1-CG1 4.03Å; F353-I362 HydrophobicContact CD1-CD1 3.52Å; F353-I362 HydrophobicContact CE1-CD1 3.67Å; A358-I362 HydrophobicContact CB-CD1 4.34Å; A358-I362 WeakPolarHBondContact O-CB 3.24Å; A358-I362 WeakPolarHBondContact O-CD1 3.36Å; A358-I362 WeakPolarHBondContact O-CG1 3.4Å; A358-I362 PolarHBondContact O-N 3.23Å; A358-I362 VanDerWaalsContact O-N 3.12Å; E360-I362 PolarHBondContact O-N 3.27Å; I362-T364 HydrophobicContact CG2-CG2 3.98Å
363	G	68	Low	62.4	Low	11 Å²	11	68.9 Å²	68.9	11%	0.113	40%	0.402	C	S	.	.	T	Hydrogen-bonded Turn	trans	88.5	48.7	-175.5	0	0	0	0	0	113.8	E359 E360 L387	E359-G363 CarbonylContact O-C 3.53Å; E359-G363 WeakPolarHBondContact O-CA 3.27Å; E359-G363 PolarHBondContact O-N 3.36Å; E360-G363 PolarHBondContact O-N 3.32Å; E360-G363 VanDerWaalsContact O-N 3.11Å; G363-L387 WeakPolarHBondContact O-CD2 3.38Å
364	T	63	Low	60.5	Low	27 Å²	27	71.1 Å²	71.1	17%	0.166	43%	0.431	C	S	.	.			trans	-92.4	147.7	-179	48	0	0	0	0	114.5	E359 I362 S366 F391	E359-T364 WeakPolarHBondContact CA-OG1 3.39Å; E359-T364 PolarHBondContact O-N 3.26Å; I362-T364 HydrophobicContact CG2-CG2 3.98Å; T364-S366 VanDerWaalsContact C-N 3.28Å; T364-S366 PolarHBondContact O-N 2.94Å; T364-F391 HydrophobicContact CG2-CZ 4.17Å
365	L	51.3	Low	58.3	Low	43 Å²	43	75.6 Å²	75.6	23%	0.225	46%	0.46	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-15.4	-163.8	-77.3	166.1	0	0	0	117.4	R367 C368 L369 L387 F391	L365-R367 VanDerWaalsContact C-N 3.31Å; L365-R367 PolarHBondContact O-N 3.44Å; L365-C368 PolarHBondContact O-N 2.9Å; L365-C368 VanDerWaalsContact O-N 3.15Å; L365-L369 PolarHBondContact O-N 3.1Å; L365-L387 HydrophobicContact CD2-CB 4.04Å; L365-L387 HydrophobicContact CD2-CD1 3.82Å; L365-L387 HydrophobicContact CG-CD1 4.39Å; L365-F391 HydrophobicContact CB-CE2 4.44Å; L365-F391 HydrophobicContact CD1-CD2 3.64Å; L365-F391 HydrophobicContact CD1-CE2 3.67Å; L365-F391 HydrophobicContact CD1-CG 4.17Å; L365-F391 HydrophobicContact CD1-CZ 4.2Å; L365-F391 HydrophobicContact CG-CD2 4.08Å; L365-F391 HydrophobicContact CG-CE2 3.72Å; L365-F391 HydrophobicContact CG-CZ 4.37Å
366	S	49.9	Very low	56.6	Low	55 Å²	55	79.5 Å²	79.5	39%	0.385	47%	0.467	S	S	.	.	H	α-helix	trans	-54.2	-43.6	-170	-44.7	0	0	0	0	113.1	E359 T364 N370	E359-S366 WeakPolarHBondContact OE1-CB 3.33Å; E359-S366 PolarHBondContact OE1-OG 3.12Å; E359-S366 WeakPolarHBondContact OE2-CB 3.47Å; T364-S366 VanDerWaalsContact C-N 3.28Å; T364-S366 PolarHBondContact O-N 2.94Å; S366-N370 PolarHBondContact O-ND2 3.45Å
367	R	44.6	Very low	55.6	Low	128 Å²	128	73.3 Å²	73.3	48%	0.483	44%	0.443	S	S	.	.	H	α-helix	trans	-79.3	-31.4	-178.6	-149.5	-179	-67.5	-176	3.9	113.3	E360 L365 L369 N370	E360-R367 VanDerWaalsContact CD-CZ 3.42Å; E360-R367 VanDerWaalsContact CD-NH2 3.35Å; E360-R367 IonicContact OE1-CZ 2.77Å; E360-R367 IonicContact OE1-NH1 2.72Å; E360-R367 PolarHBondContact OE1-NH1 2.87Å; E360-R367 IonicContact OE1-NH2 3.92Å; E360-R367 PolarHBondContact OE1-NH2 3.07Å; E360-R367 IonicContact OE2-CZ 3.22Å; E360-R367 IonicContact OE2-NH1 3.09Å; E360-R367 PolarHBondContact OE2-NH1 2.73Å; E360-R367 VanDerWaalsContact OE2-NH1 3.13Å; L365-R367 VanDerWaalsContact C-N 3.31Å; L365-R367 PolarHBondContact O-N 3.44Å; R367-L369 VanDerWaalsContact C-N 3.29Å; R367-L369 PolarHBondContact O-N 3.08Å; R367-N370 PolarHBondContact O-N 3.42Å
368	C	41.3	Very low	54.5	Low	74 Å²	74	72.9 Å²	72.9	50%	0.5	45%	0.453	S	S	.	.	H	α-helix	trans	-65.1	-26.8	178.7	-82.8	0	0	0	0	114	L365	L365-C368 PolarHBondContact O-N 2.9Å; L365-C368 VanDerWaalsContact O-N 3.15Å
369	L	42.4	Very low	53	Low	132 Å²	132	79.4 Å²	79.4	69%	0.691	48%	0.481	S	S	*	.	H	α-helix	trans	-89.6	-16.8	179.5	-66.5	173.8	0	0	0	113.6	L365 R367	L365-L369 PolarHBondContact O-N 3.1Å; R367-L369 VanDerWaalsContact C-N 3.29Å; R367-L369 PolarHBondContact O-N 3.08Å
370	N	39.8	Very low	52.2	Low	134 Å²	134	81.1 Å²	81.1	72%	0.717	48%	0.484	S	S	*	.	H	α-helix	trans	-101	-7.2	-172.3	-67.8	-13.5	0	0	0	113.7	S366 R367 G372	S366-N370 PolarHBondContact O-ND2 3.45Å; R367-N370 PolarHBondContact O-N 3.42Å; N370-G372 PolarHBondContact O-N 3.27Å
371	A	38.7	Very low	51.3	Low	56 Å²	56	79.2 Å²	79.2	46%	0.463	48%	0.479	S	S	.	.			trans	-78.4	80.2	177.7	0	0	0	0	0	111.8	S373	A371-S373 PolarHBondContact O-N 3.17Å
372	G	42.7	Very low	50.1	Low	90 Å²	90	80.7 Å²	80.7	93%	0.928	49%	0.486	S	S	*	.			trans	-72	58.5	-177.2	0	0	0	0	0	115.9	N370	N370-G372 PolarHBondContact O-N 3.27Å
373	S	38.2	Very low	48.8	Very low	78 Å²	78	83.4 Å²	83.4	55%	0.545	50%	0.499	S	S	.	.			trans	-124	139.8	167.4	63.6	0	0	0	0	111.7	A371	A371-S373 PolarHBondContact O-N 3.17Å
374	G	46.7	Very low	48.2	Very low	65 Å²	65	87.4 Å²	87.4	67%	0.67	51%	0.513	S	S	*	.	S	Bend	trans	-67.6	166.3	-172.6	0	0	0	0	0	114.5
375	T	42.9	Very low	47.9	Very low	127 Å²	127	90.4 Å²	90.4	78%	0.779	53%	0.528	S	S	*	.			trans	70.9	103.4	-173.3	-11.4	0	0	0	0	113.5	T377	T375-T377 PolarHBondContact O-N 2.73Å
376	E	44.5	Very low	48.1	Very low	120 Å²	120	90 Å²	90	56%	0.561	53%	0.526	S	S	*	.			trans	-76	111.8	165.9	-64.3	-157.7	123.2	0	0	108.9	V381 K384	E376-V381 HydrophobicContact CB-CG2 4Å; E376-K384 VanDerWaalsContact CD-NZ 3.33Å; E376-K384 IonicContact OE1-NZ 3.71Å; E376-K384 PolarHBondContact OE1-NZ 2.82Å; E376-K384 IonicContact OE2-NZ 3.92Å; E376-K384 PolarHBondContact OE2-NZ 3.27Å
377	T	54.2	Low	48.4	Very low	64 Å²	64	87.5 Å²	87.5	39%	0.393	51%	0.508	S	S	.	.			trans	-68.8	154.4	173.3	61.1	0	0	0	0	111	T375 E379 R380 V381	T375-T377 PolarHBondContact O-N 2.73Å; T377-E379 PolarHBondContact O-N 3.47Å; T377-R380 WeakPolarHBondContact O-CB 3.45Å; T377-R380 PolarHBondContact O-N 3Å; T377-R380 WeakPolarHBondContact OG1-CG 3.42Å; T377-R380 PolarHBondContact OG1-N 3.49Å; T377-V381 PolarHBondContact O-N 3.29Å
378	A	51.5	Low	48.9	Very low	85 Å²	85	85.4 Å²	85.4	70%	0.702	50%	0.504	S	S	*	.	H	α-helix	trans	-55.4	-36.3	177.3	0	0	0	0	0	112.2	V381 Q382	A378-V381 PolarHBondContact O-N 3.31Å; A378-Q382 WeakPolarHBondContact O-CB 3.38Å; A378-Q382 PolarHBondContact O-N 3.26Å
379	E	46.4	Very low	49.6	Very low	149 Å²	149	86.8 Å²	86.8	70%	0.696	50%	0.503	S	S	*	.	H	α-helix	trans	-65.2	-44.6	174.3	-59	176.1	137.5	0	0	112.5	T377 V381 Q382 M383	T377-E379 PolarHBondContact O-N 3.47Å; E379-V381 VanDerWaalsContact C-N 3.28Å; E379-V381 PolarHBondContact O-N 2.9Å; E379-Q382 PolarHBondContact O-N 2.71Å; E379-M383 WeakPolarHBondContact O-CB 3.48Å; E379-M383 PolarHBondContact O-N 2.95Å
380	R	53.5	Low	50.3	Low	110 Å²	110	80.7 Å²	80.7	42%	0.415	47%	0.471	S	S	.	.	H	α-helix	trans	-59.2	-41.1	172.5	-77.6	176.7	174.1	-179.2	-5.3	111.2	T377 K384	T377-R380 WeakPolarHBondContact O-CB 3.45Å; T377-R380 PolarHBondContact O-N 3Å; T377-R380 WeakPolarHBondContact OG1-CG 3.42Å; T377-R380 PolarHBondContact OG1-N 3.49Å; R380-K384 WeakPolarHBondContact O-CB 3.23Å; R380-K384 PolarHBondContact O-N 3.13Å
381	V	56.4	Low	51.1	Low	56 Å²	56	76.8 Å²	76.8	34%	0.339	45%	0.448	S	S	.	.	H	α-helix	trans	-67.1	-39.7	175.9	177.6	0	0	0	0	111.4	E376 T377 A378 E379 N385	E376-V381 HydrophobicContact CB-CG2 4Å; T377-V381 PolarHBondContact O-N 3.29Å; A378-V381 PolarHBondContact O-N 3.31Å; E379-V381 VanDerWaalsContact C-N 3.28Å; E379-V381 PolarHBondContact O-N 2.9Å; V381-N385 WeakPolarHBondContact O-CB 3.49Å; V381-N385 PolarHBondContact O-N 3.13Å; V381-N385 PolarHBondContact O-ND2 3.4Å
382	Q	55.6	Low	51.7	Low	78 Å²	78	77 Å²	77	36%	0.364	44%	0.441	S	S	.	.	H	α-helix	trans	-66.7	-46.4	176.8	-163.5	-176.2	32.2	0	0	111.2	A378 E379 N385 I386	A378-Q382 WeakPolarHBondContact O-CB 3.38Å; A378-Q382 PolarHBondContact O-N 3.26Å; E379-Q382 PolarHBondContact O-N 2.71Å; Q382-N385 CarbonylContact O-C 3.52Å; Q382-N385 WeakPolarHBondContact O-CB 3.44Å; Q382-N385 PolarHBondContact O-N 3.21Å; Q382-I386 HydrophobicContact CG-CD1 4.09Å; Q382-I386 WeakPolarHBondContact O-CG1 3.36Å; Q382-I386 PolarHBondContact O-N 3.17Å
383	M	54	Low	52.1	Low	69 Å²	69	75.9 Å²	75.9	34%	0.34	41%	0.411	S	S	.	.	H	α-helix	trans	-59.6	-49.4	174.3	-177.7	-178.7	-80.8	0	0	110.8	E379 N385 I386 L387	E379-M383 WeakPolarHBondContact O-CB 3.48Å; E379-M383 PolarHBondContact O-N 2.95Å; M383-N385 PolarHBondContact O-N 3.39Å; M383-I386 PolarHBondContact O-N 3.08Å; M383-L387 HydrophobicContact CG-CD1 4.12Å; M383-L387 HydrophobicContact CG-CG 4.17Å; M383-L387 WeakPolarHBondContact O-CB 3.49Å; M383-L387 VanDerWaalsContact O-CG 3.3Å; M383-L387 WeakPolarHBondContact O-CG 3.37Å; M383-L387 PolarHBondContact O-N 3.22Å
384	K	55.6	Low	52.6	Low	95 Å²	95	73.4 Å²	73.4	41%	0.413	39%	0.394	S	S	.	.	H	α-helix	trans	-54	-37.9	174.3	-173	178.5	-174.4	-179.9	0	112.1	E376 R380 Q388	E376-K384 VanDerWaalsContact CD-NZ 3.33Å; E376-K384 IonicContact OE1-NZ 3.71Å; E376-K384 PolarHBondContact OE1-NZ 2.82Å; E376-K384 IonicContact OE2-NZ 3.92Å; E376-K384 PolarHBondContact OE2-NZ 3.27Å; R380-K384 WeakPolarHBondContact O-CB 3.23Å; R380-K384 PolarHBondContact O-N 3.13Å; K384-Q388 WeakPolarHBondContact O-CB 3.1Å; K384-Q388 PolarHBondContact O-N 3.39Å
385	N	55.3	Low	52.6	Low	91 Å²	91	73.5 Å²	73.5	49%	0.487	38%	0.375	S	S	.	.	H	α-helix	trans	-73.8	-39.7	173.5	-77.6	-59.3	0	0	0	113.8	V381 Q382 M383 Q388 Q389	V381-N385 WeakPolarHBondContact O-CB 3.49Å; V381-N385 PolarHBondContact O-N 3.13Å; V381-N385 PolarHBondContact O-ND2 3.4Å; Q382-N385 CarbonylContact O-C 3.52Å; Q382-N385 WeakPolarHBondContact O-CB 3.44Å; Q382-N385 PolarHBondContact O-N 3.21Å; M383-N385 PolarHBondContact O-N 3.39Å; N385-Q388 PolarHBondContact O-N 3.05Å; N385-Q389 WeakPolarHBondContact O-CB 3.45Å; N385-Q389 WeakPolarHBondContact O-CG 3.41Å; N385-Q389 PolarHBondContact O-N 3.3Å
386	I	56.8	Low	52.7	Low	33 Å²	33	69.4 Å²	69.4	17%	0.169	36%	0.355	C	S	.	.	H	α-helix	trans	-64.2	-45.3	175.7	-71.7	165.1	0	0	0	110.3	E127 N130 Q382 M383 Q389 H390	E127-I386 HydrophobicContact CG-CG2 4.49Å; N130-I386 HydrophobicContact CB-CG2 4.03Å; Q382-I386 HydrophobicContact CG-CD1 4.09Å; Q382-I386 WeakPolarHBondContact O-CG1 3.36Å; Q382-I386 PolarHBondContact O-N 3.17Å; M383-I386 PolarHBondContact O-N 3.08Å; I386-Q389 PolarHBondContact O-N 3.29Å; I386-H390 PolarHBondContact O-N 3.26Å
387	L	55.7	Low	53	Low	4 Å²	4	64.6 Å²	64.6	2%	0.021	33%	0.333	C	S	.	.	H	α-helix	trans	-63.4	-47.2	173.8	-64.6	-172.1	0	0	0	110.5	I126 G363 L365 M383 Q389 H390 F391	I126-L387 HydrophobicContact CB-CD2 4.21Å; I126-L387 HydrophobicContact CD1-CD2 4.39Å; I126-L387 HydrophobicContact CG2-CD2 3.59Å; G363-L387 WeakPolarHBondContact O-CD2 3.38Å; L365-L387 HydrophobicContact CD2-CB 4.04Å; L365-L387 HydrophobicContact CD2-CD1 3.82Å; L365-L387 HydrophobicContact CG-CD1 4.39Å; M383-L387 HydrophobicContact CG-CD1 4.12Å; M383-L387 HydrophobicContact CG-CG 4.17Å; M383-L387 WeakPolarHBondContact O-CB 3.49Å; M383-L387 VanDerWaalsContact O-CG 3.3Å; M383-L387 WeakPolarHBondContact O-CG 3.37Å; M383-L387 PolarHBondContact O-N 3.22Å; L387-Q389 VanDerWaalsContact C-N 3.33Å; L387-Q389 PolarHBondContact O-N 2.72Å; L387-H390 CarbonylContact O-C 3.59Å; L387-H390 PolarHBondContact O-N 3.28Å; L387-H390 VanDerWaalsContact O-N 3.08Å; L387-F391 WeakPolarHBondContact O-CB 3.27Å; L387-F391 WeakPolarHBondContact O-CD2 3.14Å; L387-F391 PolarHBondContact O-N 2.97Å
388	Q	55.3	Low	53.1	Low	84 Å²	84	64.3 Å²	64.3	39%	0.393	32%	0.324	S	S	.	.	H	α-helix	trans	-57.4	-44.8	175.6	-176.3	60	48.9	0	0	111.6	K384 N385 H390 F391 D392	K384-Q388 WeakPolarHBondContact O-CB 3.1Å; K384-Q388 PolarHBondContact O-N 3.39Å; N385-Q388 PolarHBondContact O-N 3.05Å; Q388-H390 PolarHBondContact O-N 3.43Å; Q388-F391 PolarHBondContact O-N 2.95Å; Q388-D392 VanDerWaalsContact NE2-CG 3.29Å; Q388-D392 PolarHBondContact NE2-OD1 2.74Å; Q388-D392 PolarHBondContact NE2-OD2 3.18Å; Q388-D392 WeakPolarHBondContact O-CB 3.3Å; Q388-D392 PolarHBondContact O-N 3.23Å
389	Q	56	Low	53.4	Low	102 Å²	102	60.7 Å²	60.7	48%	0.477	29%	0.293	S	S	.	.	H	α-helix	trans	-62.1	-39.5	174	-75.8	-178.7	7.7	0	0	112.5	N385 I386 L387 D392 K393	N385-Q389 WeakPolarHBondContact O-CB 3.45Å; N385-Q389 WeakPolarHBondContact O-CG 3.41Å; N385-Q389 PolarHBondContact O-N 3.3Å; I386-Q389 PolarHBondContact O-N 3.29Å; L387-Q389 VanDerWaalsContact C-N 3.33Å; L387-Q389 PolarHBondContact O-N 2.72Å; Q389-D392 PolarHBondContact O-N 3.44Å; Q389-K393 WeakPolarHBondContact O-CB 3.31Å; Q389-K393 VanDerWaalsContact O-CG 3.3Å; Q389-K393 WeakPolarHBondContact O-CG 3.36Å; Q389-K393 PolarHBondContact O-N 2.84Å
390	H	57.2	Low	53.9	Low	4 Å²	4	57.2 Å²	57.2	2%	0.019	29%	0.285	C	S	.	.	H	α-helix	trans	-71.1	-35.3	175.4	-169.8	-78.7	0	0	0	112.8	I126 F156 I386 L387 Q388 K393 S394	I126-H390 HydrophobicContact CG1-CB 4.49Å; I126-H390 HydrophobicContact CG2-CB 3.39Å; I126-H390 VanDerWaalsContact CG2-CG 3.48Å; F156-H390 AromaticContact CE1-CE1 3.72Å; F156-H390 AromaticContact CE1-NE2 3.88Å; I386-H390 PolarHBondContact O-N 3.26Å; L387-H390 CarbonylContact O-C 3.59Å; L387-H390 PolarHBondContact O-N 3.28Å; L387-H390 VanDerWaalsContact O-N 3.08Å; Q388-H390 PolarHBondContact O-N 3.43Å; H390-K393 CarbonylContact O-C 3.54Å; H390-K393 WeakPolarHBondContact O-CB 3.44Å; H390-K393 PolarHBondContact O-N 3.3Å; H390-S394 PolarHBondContact ND1-OG 3.25Å; H390-S394 WeakPolarHBondContact O-CB 3.22Å; H390-S394 PolarHBondContact O-N 2.73Å; H390-S394 PolarHBondContact O-OG 3.02Å
391	F	55.9	Low	54.2	Low	53 Å²	53	54.2 Å²	54.2	23%	0.232	28%	0.279	C	S	.	.	H	α-helix	trans	-69.1	-35	173.3	-89	-83.8	0	0	0	111.3	T364 L365 L387 Q388 S394 K395	T364-F391 HydrophobicContact CG2-CZ 4.17Å; L365-F391 HydrophobicContact CB-CE2 4.44Å; L365-F391 HydrophobicContact CD1-CD2 3.64Å; L365-F391 HydrophobicContact CD1-CE2 3.67Å; L365-F391 HydrophobicContact CD1-CG 4.17Å; L365-F391 HydrophobicContact CD1-CZ 4.2Å; L365-F391 HydrophobicContact CG-CD2 4.08Å; L365-F391 HydrophobicContact CG-CE2 3.72Å; L365-F391 HydrophobicContact CG-CZ 4.37Å; L387-F391 WeakPolarHBondContact O-CB 3.27Å; L387-F391 WeakPolarHBondContact O-CD2 3.14Å; L387-F391 PolarHBondContact O-N 2.97Å; Q388-F391 PolarHBondContact O-N 2.95Å; F391-S394 CarbonylContact O-C 3.59Å; F391-S394 WeakPolarHBondContact O-CB 3.37Å; F391-S394 PolarHBondContact O-N 2.76Å; F391-K395 WeakPolarHBondContact O-CG 3.41Å; F391-K395 PolarHBondContact O-N 2.71Å
392	D	52.1	Low	54.4	Low	60 Å²	60	51.9 Å²	51.9	32%	0.321	27%	0.265	S	S	.	.	H	α-helix	trans	-73.8	-27.5	171	-69.7	-37.3	0	0	0	112.6	Q388 Q389 K395 A396	Q388-D392 VanDerWaalsContact NE2-CG 3.29Å; Q388-D392 PolarHBondContact NE2-OD1 2.74Å; Q388-D392 PolarHBondContact NE2-OD2 3.18Å; Q388-D392 WeakPolarHBondContact O-CB 3.3Å; Q388-D392 PolarHBondContact O-N 3.23Å; Q389-D392 PolarHBondContact O-N 3.44Å; D392-K395 CarbonylContact O-C 3.57Å; D392-K395 WeakPolarHBondContact O-CB 3.43Å; D392-K395 PolarHBondContact O-N 3.05Å; D392-K395 VanDerWaalsContact OD1-CD 3.31Å; D392-K395 WeakPolarHBondContact OD1-CD 3.26Å; D392-K395 WeakPolarHBondContact OD1-CE 3.45Å; D392-K395 IonicContact OD1-NZ 2.98Å; D392-K395 PolarHBondContact OD1-NZ 3.45Å; D392-A396 PolarHBondContact O-N 3.08Å
393	K	50.8	Low	54.5	Low	67 Å²	67	50 Å²	50	29%	0.291	26%	0.257	S	S	.	.	H	α-helix	trans	-69	-34.5	163.2	-73.8	171.5	176.5	-177.6	0	112.5	N130 E153 Q389 H390 K395 A396	N130-K393 PolarHBondContact OD1-NZ 3.36Å; E153-K393 IonicContact OE1-NZ 3.16Å; E153-K393 PolarHBondContact OE1-NZ 3.33Å; Q389-K393 WeakPolarHBondContact O-CB 3.31Å; Q389-K393 VanDerWaalsContact O-CG 3.3Å; Q389-K393 WeakPolarHBondContact O-CG 3.36Å; Q389-K393 PolarHBondContact O-N 2.84Å; H390-K393 CarbonylContact O-C 3.54Å; H390-K393 WeakPolarHBondContact O-CB 3.44Å; H390-K393 PolarHBondContact O-N 3.3Å; K393-K395 VanDerWaalsContact C-N 3.27Å; K393-K395 PolarHBondContact O-N 3.2Å; K393-A396 WeakPolarHBondContact O-CA 3.12Å; K393-A396 WeakPolarHBondContact O-CB 3.41Å; K393-A396 PolarHBondContact O-N 3.26Å
394	S	47.5	Very low	54.6	Low	26 Å²	26	47.9 Å²	47.9	18%	0.182	25%	0.248	C	C	.	.	H	α-helix	trans	-69.3	-30.6	172.2	-54.3	0	0	0	0	110.7	H390 F391 A396	H390-S394 PolarHBondContact ND1-OG 3.25Å; H390-S394 WeakPolarHBondContact O-CB 3.22Å; H390-S394 PolarHBondContact O-N 2.73Å; H390-S394 PolarHBondContact O-OG 3.02Å; F391-S394 CarbonylContact O-C 3.59Å; F391-S394 WeakPolarHBondContact O-CB 3.37Å; F391-S394 PolarHBondContact O-N 2.76Å; S394-A396 VanDerWaalsContact C-N 3.3Å
395	K	46.6	Very low	54.4	Low	66 Å²	66	44.3 Å²	44.3	29%	0.287	24%	0.239	S	C	.	.	G	3₁₀ helix	trans	-72.2	-14.9	163.1	-64.1	-179.8	-161.6	167.2	0	113.1	F391 D392 K393 L397 R398 E411	F391-K395 WeakPolarHBondContact O-CG 3.41Å; F391-K395 PolarHBondContact O-N 2.71Å; D392-K395 CarbonylContact O-C 3.57Å; D392-K395 WeakPolarHBondContact O-CB 3.43Å; D392-K395 PolarHBondContact O-N 3.05Å; D392-K395 VanDerWaalsContact OD1-CD 3.31Å; D392-K395 WeakPolarHBondContact OD1-CD 3.26Å; D392-K395 WeakPolarHBondContact OD1-CE 3.45Å; D392-K395 IonicContact OD1-NZ 2.98Å; D392-K395 PolarHBondContact OD1-NZ 3.45Å; K393-K395 VanDerWaalsContact C-N 3.27Å; K393-K395 PolarHBondContact O-N 3.2Å; K395-L397 PolarHBondContact O-N 2.91Å; K395-L397 VanDerWaalsContact O-N 3.12Å; K395-R398 CarbonylContact O-C 3.58Å; K395-R398 VanDerWaalsContact O-CA 3.27Å; K395-R398 WeakPolarHBondContact O-CA 3.48Å; K395-R398 WeakPolarHBondContact O-CB 3.47Å; K395-R398 WeakPolarHBondContact O-CG 3.16Å; K395-R398 PolarHBondContact O-N 3.38Å; K395-E411 WeakPolarHBondContact CE-OE2 3.36Å; K395-E411 IonicContact NZ-OE2 2.72Å; K395-E411 PolarHBondContact NZ-OE2 2.88Å
396	A	45.9	Very low	54	Low	42 Å²	42	42 Å²	42	35%	0.347	23%	0.228	S	C	.	.	G	3₁₀ helix	trans	-71.4	-2.2	-177.5	0	0	0	0	0	114.5	D392 K393 S394 R398	D392-A396 PolarHBondContact O-N 3.08Å; K393-A396 WeakPolarHBondContact O-CA 3.12Å; K393-A396 WeakPolarHBondContact O-CB 3.41Å; K393-A396 PolarHBondContact O-N 3.26Å; S394-A396 VanDerWaalsContact C-N 3.3Å; A396-R398 CarbonylContact C-O 3.41Å; A396-R398 WeakPolarHBondContact CA-O 3.48Å; A396-R398 PolarHBondContact O-N 2.69Å
397	L	50.8	Low	53.2	Low	19 Å²	19	50.4 Å²	50.4	10%	0.099	26%	0.257	C	S	.	.	G	3₁₀ helix	trans	-63.3	-6.4	153.7	-69.9	163.5	0	0	0	112.8	T157 V161 L222 K395 P418	T157-L397 HydrophobicContact CG2-CD1 4.21Å; V161-L397 HydrophobicContact CG2-CD1 4.01Å; L222-L397 HydrophobicContact CD2-CD1 4.01Å; L222-L397 HydrophobicContact CD2-CD2 4.23Å; K395-L397 PolarHBondContact O-N 2.91Å; K395-L397 VanDerWaalsContact O-N 3.12Å; L397-P418 HydrophobicContact CB-CB 4.18Å; L397-P418 HydrophobicContact CD1-CB 3.96Å
398	R	55.8	Low	52.5	Low	58 Å²	58	54.3 Å²	54.3	22%	0.219	27%	0.272	C	S	.	.	S	Bend	trans	-126	151.2	169.6	-44.7	172.5	165.8	151	0.9	106.7	K395 A396 V416 T417 T421	K395-R398 CarbonylContact O-C 3.58Å; K395-R398 VanDerWaalsContact O-CA 3.27Å; K395-R398 WeakPolarHBondContact O-CA 3.48Å; K395-R398 WeakPolarHBondContact O-CB 3.47Å; K395-R398 WeakPolarHBondContact O-CG 3.16Å; K395-R398 PolarHBondContact O-N 3.38Å; A396-R398 CarbonylContact C-O 3.41Å; A396-R398 WeakPolarHBondContact CA-O 3.48Å; A396-R398 PolarHBondContact O-N 2.69Å; R398-V416 PolarHBondContact NH2-O 2.92Å; R398-T417 PolarHBondContact NH2-O 3.1Å; R398-T421 HydrophobicContact CG-CG2 4.29Å; R398-T421 PolarHBondContact NE-OG1 3.47Å
399	I	58.4	Low	51.8	Low	9 Å²	9	56.4 Å²	56.4	5%	0.046	29%	0.285	C	S	.	.	P	Polyproline II helix	trans	-90.1	135.9	-177.3	-67.2	174.4	0	0	0	110.4	T401 F542 E581 K584 H585	I399-T401 PolarHBondContact O-N 2.82Å; I399-F542 HydrophobicContact CD1-CE2 3.58Å; I399-F542 HydrophobicContact CD1-CZ 3.65Å; I399-F542 HydrophobicContact CG1-CE2 4.23Å; I399-F542 HydrophobicContact CG1-CZ 4.24Å; I399-E581 PolarHBondContact N-OE2 2.84Å; I399-K584 HydrophobicContact CB-CB 3.86Å; I399-K584 HydrophobicContact CB-CD 3.89Å; I399-K584 HydrophobicContact CD1-CB 4.49Å; I399-K584 HydrophobicContact CG2-CB 3.65Å; I399-K584 HydrophobicContact CG2-CD 4.13Å; I399-K584 WeakPolarHBondContact O-CD 3.32Å; I399-K584 WeakPolarHBondContact O-CE 3.32Å; I399-K584 PolarHBondContact O-NZ 3.27Å; I399-H585 HydrophobicContact CD1-CB 3.34Å
400	S	56.1	Low	50.8	Low	75 Å²	75	59.8 Å²	59.8	52%	0.524	30%	0.298	S	S	.	.	P	Polyproline II helix	trans	-59.6	125.7	167	-65.6	0	0	0	0	108.9	P402	S400-P402 VanDerWaalsContact O-CD 3.24Å; S400-P402 WeakPolarHBondContact O-CD 3.13Å; S400-P402 VanDerWaalsContact O-N 3.11Å
401	T	61.6	Low	49.9	Very low	47 Å²	47	66.2 Å²	66.2	29%	0.288	33%	0.328	S	S	.	.	P	Polyproline II helix	trans	-61.4	119.6	-179.9	-55.5	0	0	0	0	108.6	I399 R580 K584	I399-T401 PolarHBondContact O-N 2.82Å; T401-R580 PolarHBondContact OG1-NH2 3.23Å; T401-K584 WeakPolarHBondContact OG1-CE 3.49Å
402	P	59.8	Low	48.7	Very low	7 Å²	7	69 Å²	69	5%	0.045	35%	0.345	C	S	.	.	P	Polyproline II helix	trans	-60.1	152.7	-178.8	-22.5	33.4	0	0	0	111	S400 T404 G405 N587 Q588 E591	S400-P402 VanDerWaalsContact O-CD 3.24Å; S400-P402 WeakPolarHBondContact O-CD 3.13Å; S400-P402 VanDerWaalsContact O-N 3.11Å; P402-T404 PolarHBondContact O-N 3.41Å; P402-G405 CarbonylContact O-C 3.59Å; P402-G405 VanDerWaalsContact O-CA 3.24Å; P402-G405 WeakPolarHBondContact O-CA 3.47Å; P402-G405 PolarHBondContact O-N 2.89Å; P402-G405 VanDerWaalsContact O-O 3.12Å; P402-N587 HydrophobicContact CG-CB 4.24Å; P402-Q588 HydrophobicContact CG-CB 4.2Å; P402-E591 HydrophobicContact CB-CG 4.44Å; P402-E591 WeakPolarHBondContact CB-OE1 3.39Å
403	L	57.6	Low	47.9	Very low	39 Å²	39	70.1 Å²	70.1	20%	0.204	36%	0.358	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-28.7	-172.8	-69.2	170.4	0	0	0	112.8	G405 V849 R850 Q919 P920	L403-G405 VanDerWaalsContact C-N 3.27Å; L403-V849 HydrophobicContact CB-CG1 3.57Å; L403-V849 WeakPolarHBondContact O-CG1 3.32Å; L403-R850 HydrophobicContact CD1-CG 4.25Å; L403-Q919 HydrophobicContact CD1-CB 4.06Å; L403-Q919 HydrophobicContact CD1-CG 4.03Å; L403-P920 HydrophobicContact CD2-CG 4.12Å; L403-P920 HydrophobicContact CG-CG 3.98Å
404	T	56.6	Low	47.4	Very low	25 Å²	25	72.9 Å²	72.9	15%	0.153	38%	0.383	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.8	-23.1	172.4	60.1	0	0	0	0	112.8	P402 V406 E591 L846 V849	P402-T404 PolarHBondContact O-N 3.41Å; T404-V406 PolarHBondContact O-N 3.11Å; T404-E591 WeakPolarHBondContact CB-OE1 3.33Å; T404-E591 WeakPolarHBondContact CG2-OE1 3.48Å; T404-E591 PolarHBondContact N-OE1 2.86Å; T404-E591 PolarHBondContact OG1-OE1 2.88Å; T404-L846 HydrophobicContact CG2-CB 4.48Å; T404-L846 HydrophobicContact CG2-CD1 3.6Å; T404-V849 HydrophobicContact CG2-CB 4.29Å; T404-V849 HydrophobicContact CG2-CG1 4.24Å; T404-V849 HydrophobicContact CG2-CG2 4.35Å
405	G	51.1	Low	47.1	Very low	20 Å²	20	77.3 Å²	77.3	21%	0.206	41%	0.412	C	S	.	.	S	Bend	trans	-68.2	106.8	164.9	0	0	0	0	0	109.9	P402 L403 R407	P402-G405 CarbonylContact O-C 3.59Å; P402-G405 VanDerWaalsContact O-CA 3.24Å; P402-G405 WeakPolarHBondContact O-CA 3.47Å; P402-G405 PolarHBondContact O-N 2.89Å; P402-G405 VanDerWaalsContact O-O 3.12Å; L403-G405 VanDerWaalsContact C-N 3.27Å; G405-R407 PolarHBondContact O-N 2.86Å
406	V	47	Very low	47.7	Very low	43 Å²	43	77.8 Å²	77.8	26%	0.261	42%	0.42	S	S	.	.			trans	-40.3	132.4	170.9	173.3	0	0	0	0	109.6	T404 Y408	T404-V406 PolarHBondContact O-N 3.11Å; V406-Y408 HydrophobicContact CB-CD2 4.04Å; V406-Y408 HydrophobicContact CB-CE1 4.33Å; V406-Y408 HydrophobicContact CB-CE2 3.67Å; V406-Y408 HydrophobicContact CG1-CD1 4.11Å; V406-Y408 HydrophobicContact CG1-CD2 4.33Å; V406-Y408 HydrophobicContact CG1-CE1 3.81Å; V406-Y408 HydrophobicContact CG1-CE2 4.07Å; V406-Y408 HydrophobicContact CG1-CG 4.34Å; V406-Y408 HydrophobicContact CG2-CE2 4.48Å; V406-Y408 VanDerWaalsContact O-CD2 3.23Å; V406-Y408 WeakPolarHBondContact O-CD2 3.15Å; V406-Y408 PolarHBondContact O-N 3.15Å
407	R	40.3	Very low	48.9	Very low	208 Å²	208	78 Å²	78	79%	0.785	42%	0.417	S	S	*	.			trans	-62.1	64.5	-177.1	-62.4	-178.5	-177.7	176.5	-1	112.5	G405 I409 D853	G405-R407 PolarHBondContact O-N 2.86Å; R407-I409 PolarHBondContact O-N 3.32Å; R407-D853 IonicContact NH2-OD1 2.99Å
408	Y	41.3	Very low	49.9	Very low	87 Å²	87	78.3 Å²	78.3	34%	0.341	42%	0.421	S	S	.	.			trans	-75.2	108.7	-178.5	-72.9	-57.1	0	0	0	109.3	V406 R580	V406-Y408 HydrophobicContact CB-CD2 4.04Å; V406-Y408 HydrophobicContact CB-CE1 4.33Å; V406-Y408 HydrophobicContact CB-CE2 3.67Å; V406-Y408 HydrophobicContact CG1-CD1 4.11Å; V406-Y408 HydrophobicContact CG1-CD2 4.33Å; V406-Y408 HydrophobicContact CG1-CE1 3.81Å; V406-Y408 HydrophobicContact CG1-CE2 4.07Å; V406-Y408 HydrophobicContact CG1-CG 4.34Å; V406-Y408 HydrophobicContact CG2-CE2 4.48Å; V406-Y408 VanDerWaalsContact O-CD2 3.23Å; V406-Y408 WeakPolarHBondContact O-CD2 3.15Å; V406-Y408 PolarHBondContact O-N 3.15Å; Y408-R580 PolarHBondContact O-NH1 3.22Å; Y408-R580 PolarHBondContact O-NH2 3.23Å
409	I	39.3	Very low	51	Low	128 Å²	128	75.5 Å²	75.5	66%	0.656	41%	0.41	S	S	*	.	S	Bend	trans	71.7	112.9	173.8	-54	152.7	0	0	0	111.4	R407	R407-I409 PolarHBondContact O-N 3.32Å
410	K	35.3	Very low	51.9	Low	173 Å²	173	76 Å²	76	75%	0.752	41%	0.414	S	S	*	.			trans	-53.7	141.3	164.6	-160.9	-173.2	173.6	-178.5	0	108.2	N412	K410-N412 WeakPolarHBondContact CD-OD1 3.42Å; K410-N412 VanDerWaalsContact CE-OD1 3.31Å; K410-N412 WeakPolarHBondContact CE-OD1 3.33Å; K410-N412 WeakPolarHBondContact CG-OD1 3.44Å; K410-N412 PolarHBondContact O-N 3.36Å
411	E	38.8	Very low	52.9	Low	138 Å²	138	73.4 Å²	73.4	65%	0.645	40%	0.396	S	S	*	.	S	Bend	trans	-73.3	45	-169.2	-159.6	167.4	-99.4	0	0	114	K395	K395-E411 WeakPolarHBondContact CE-OE2 3.36Å; K395-E411 IonicContact NZ-OE2 2.72Å; K395-E411 PolarHBondContact NZ-OE2 2.88Å
412	N	30.4	Very low	53.7	Low	112 Å²	112	71.7 Å²	71.7	60%	0.599	39%	0.386	S	S	*	.			trans	-104	32.9	-169.9	-82.5	85.2	0	0	0	112.8	K410 P414	K410-N412 WeakPolarHBondContact CD-OD1 3.42Å; K410-N412 VanDerWaalsContact CE-OD1 3.31Å; K410-N412 WeakPolarHBondContact CE-OD1 3.33Å; K410-N412 WeakPolarHBondContact CG-OD1 3.44Å; K410-N412 PolarHBondContact O-N 3.36Å; N412-P414 WeakPolarHBondContact O-CD 3.49Å
413	S	35.9	Very low	54.8	Low	84 Å²	84	71.6 Å²	71.6	59%	0.587	39%	0.385	S	S	*	.			trans	-105.6	84.1	169.8	-67.7	0	0	0	0	109.7	C415	S413-C415 PolarHBondContact O-N 2.65Å
414	P	38.5	Very low	56	Low	125 Å²	125	75.3 Å²	75.3	81%	0.812	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.5	-0.2	-171.3	28.5	-36.5	0	0	0	115.2	N412	N412-P414 WeakPolarHBondContact O-CD 3.49Å
415	C	42	Very low	57.2	Low	118 Å²	118	74.6 Å²	74.6	80%	0.797	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108	4.4	-167.5	-53.9	0	0	0	0	115.4	S413	S413-C415 PolarHBondContact O-N 2.65Å
416	V	59.8	Low	58.9	Low	76 Å²	76	73.6 Å²	73.6	46%	0.461	39%	0.387	S	S	.	.			trans	-102	128.5	177	-171.1	0	0	0	0	109.5	R398 T421	R398-V416 PolarHBondContact NH2-O 2.92Å; V416-T421 WeakPolarHBondContact CG1-OG1 3.46Å
417	T	70.4	Confident	60.8	Low	46 Å²	46	74.1 Å²	74.1	28%	0.282	39%	0.392	S	S	.	.			trans	-93.5	162.2	174.2	77.8	0	0	0	0	111.5	K165 R398 V419 S420 T421	K165-T417 VanDerWaalsContact CE-OG1 3.23Å; K165-T417 WeakPolarHBondContact CE-OG1 3.23Å; R398-T417 PolarHBondContact NH2-O 3.1Å; T417-V419 VanDerWaalsContact C-N 3.31Å; T417-V419 PolarHBondContact O-N 3.17Å; T417-S420 PolarHBondContact O-N 2.95Å; T417-S420 PolarHBondContact OG1-N 2.75Å; T417-S420 VanDerWaalsContact OG1-N 3.09Å; T417-S420 PolarHBondContact OG1-OG 2.81Å; T417-T421 PolarHBondContact O-N 3.4Å; T417-T421 PolarHBondContact O-OG1 3.15Å
418	P	72.2	Confident	63	Low	26 Å²	26	69 Å²	69	17%	0.169	37%	0.373	C	S	.	.	H	α-helix	trans	-61.5	-39.5	175.5	-21.9	33.6	0	0	0	112.2	V161 L222 L397 T421 A422	V161-P418 HydrophobicContact CG1-CB 3.99Å; V161-P418 HydrophobicContact CG1-CG 4.03Å; V161-P418 HydrophobicContact CG2-CG 4.19Å; L222-P418 HydrophobicContact CD2-CB 4.17Å; L397-P418 HydrophobicContact CB-CB 4.18Å; L397-P418 HydrophobicContact CD1-CB 3.96Å; P418-T421 WeakPolarHBondContact O-CA 3.41Å; P418-T421 WeakPolarHBondContact O-CB 3.46Å; P418-T421 PolarHBondContact O-N 2.58Å; P418-A422 PolarHBondContact O-N 2.86Å
419	V	78.2	Confident	65.3	Low	0 Å²	0	65.1 Å²	65.1	0%	0	36%	0.358	C	S	.	.	H	α-helix	trans	-56.1	-54.1	172.6	175.1	0	0	0	0	110.7	V161 K165 L222 Y226 T417 T421 A422 T423	V161-V419 HydrophobicContact CG1-CG2 3.86Å; K165-V419 HydrophobicContact CG-CB 4.5Å; K165-V419 HydrophobicContact CG-CG2 4.24Å; L222-V419 HydrophobicContact CD1-CG2 4.05Å; L222-V419 HydrophobicContact CD2-CG2 4.21Å; L222-V419 HydrophobicContact CG-CG2 4.11Å; Y226-V419 HydrophobicContact CD1-CG1 3.36Å; Y226-V419 HydrophobicContact CD2-CG1 4.08Å; Y226-V419 HydrophobicContact CD2-CG2 4.45Å; Y226-V419 HydrophobicContact CE1-CG1 3.63Å; Y226-V419 HydrophobicContact CE2-CG1 4.33Å; Y226-V419 HydrophobicContact CG-CG1 3.6Å; Y226-V419 HydrophobicContact CG-CG2 4.38Å; T417-V419 VanDerWaalsContact C-N 3.31Å; T417-V419 PolarHBondContact O-N 3.17Å; V419-T421 PolarHBondContact O-N 3.13Å; V419-T421 VanDerWaalsContact O-N 3.12Å; V419-A422 PolarHBondContact O-N 2.88Å; V419-A422 VanDerWaalsContact O-N 3.11Å; V419-T423 HydrophobicContact CG1-CG2 4.26Å; V419-T423 PolarHBondContact O-N 2.89Å; V419-T423 PolarHBondContact O-OG1 3.13Å
420	S	78.4	Confident	67.7	Low	18 Å²	18	61.3 Å²	61.3	13%	0.126	34%	0.338	C	S	.	.	H	α-helix	trans	-59.3	-25.6	177.2	-41	0	0	0	0	112.9	D284 T417 H424	D284-S420 WeakPolarHBondContact OD2-CB 3.2Å; D284-S420 PolarHBondContact OD2-OG 2.97Å; T417-S420 PolarHBondContact O-N 2.95Å; T417-S420 PolarHBondContact OG1-N 2.75Å; T417-S420 VanDerWaalsContact OG1-N 3.09Å; T417-S420 PolarHBondContact OG1-OG 2.81Å; S420-H424 WeakPolarHBondContact O-CB 3.35Å; S420-H424 PolarHBondContact O-N 3Å
421	T	75.6	Confident	70.3	Confident	22 Å²	22	57 Å²	57	14%	0.135	33%	0.326	C	S	.	.	H	α-helix	trans	-75.7	-46.4	176.2	-45.9	0	0	0	0	110.8	R398 V416 T417 P418 V419 S425 E581	R398-T421 HydrophobicContact CG-CG2 4.29Å; R398-T421 PolarHBondContact NE-OG1 3.47Å; V416-T421 WeakPolarHBondContact CG1-OG1 3.46Å; T417-T421 PolarHBondContact O-N 3.4Å; T417-T421 PolarHBondContact O-OG1 3.15Å; P418-T421 WeakPolarHBondContact O-CA 3.41Å; P418-T421 WeakPolarHBondContact O-CB 3.46Å; P418-T421 PolarHBondContact O-N 2.58Å; V419-T421 PolarHBondContact O-N 3.13Å; V419-T421 VanDerWaalsContact O-N 3.12Å; T421-S425 PolarHBondContact O-N 3.15Å; T421-E581 HydrophobicContact CG2-CG 3.95Å
422	A	78.3	Confident	72.7	Confident	10 Å²	10	51.2 Å²	51.2	8%	0.083	30%	0.299	C	S	.	.	H	α-helix	trans	-68.5	-46.9	-179.7	0	0	0	0	0	111.9	L222 V223 P418 V419 H424 S425 L426	L222-A422 HydrophobicContact CD2-CB 4.29Å; V223-A422 HydrophobicContact CG2-CB 3.62Å; P418-A422 PolarHBondContact O-N 2.86Å; V419-A422 PolarHBondContact O-N 2.88Å; V419-A422 VanDerWaalsContact O-N 3.11Å; A422-H424 VanDerWaalsContact C-N 3.33Å; A422-H424 PolarHBondContact O-N 3.05Å; A422-S425 WeakPolarHBondContact O-CB 3.31Å; A422-S425 PolarHBondContact O-N 3.12Å; A422-S425 VanDerWaalsContact O-N 3.09Å; A422-L426 PolarHBondContact O-N 3.45Å
423	T	83.1	Confident	75.6	Confident	6 Å²	6	46.2 Å²	46.2	4%	0.037	27%	0.272	C	S	.	.	H	α-helix	trans	-64.2	-36.9	177.3	60.9	0	0	0	0	111.8	V223 D284 L286 V419 S427	V223-T423 HydrophobicContact CG1-CG2 4.15Å; V223-T423 HydrophobicContact CG2-CG2 4.23Å; D284-T423 VanDerWaalsContact O-CB 3.27Å; D284-T423 WeakPolarHBondContact O-CB 3.41Å; D284-T423 WeakPolarHBondContact O-CG2 3.34Å; D284-T423 PolarHBondContact O-OG1 3.44Å; L286-T423 HydrophobicContact CG-CG2 4.36Å; V419-T423 HydrophobicContact CG1-CG2 4.26Å; V419-T423 PolarHBondContact O-N 2.89Å; V419-T423 PolarHBondContact O-OG1 3.13Å; T423-S427 WeakPolarHBondContact O-CB 3.5Å; T423-S427 PolarHBondContact O-N 3.29Å
424	H	83.6	Confident	78.2	Confident	117 Å²	117	47.5 Å²	47.5	54%	0.542	28%	0.277	S	S	.	.	H	α-helix	trans	-62.6	-42.6	170.3	174.4	-82.7	0	0	0	112.4	S420 A422 R428	S420-H424 WeakPolarHBondContact O-CB 3.35Å; S420-H424 PolarHBondContact O-N 3Å; A422-H424 VanDerWaalsContact C-N 3.33Å; A422-H424 PolarHBondContact O-N 3.05Å; H424-R428 WeakPolarHBondContact O-CB 3.23Å; H424-R428 PolarHBondContact O-N 2.87Å
425	S	82.3	Confident	80.6	Confident	9 Å²	9	45.5 Å²	45.5	6%	0.063	28%	0.279	C	S	.	.	H	α-helix	trans	-60	-49.7	177.7	-166.6	0	0	0	0	111.7	T421 A422 R428 L429 C579	T421-S425 PolarHBondContact O-N 3.15Å; A422-S425 WeakPolarHBondContact O-CB 3.31Å; A422-S425 PolarHBondContact O-N 3.12Å; A422-S425 VanDerWaalsContact O-N 3.09Å; S425-R428 WeakPolarHBondContact O-CB 3.45Å; S425-R428 PolarHBondContact O-N 3.1Å; S425-L429 PolarHBondContact O-N 3.3Å; S425-C579 PolarHBondContact OG-SG 3.43Å
426	L	85.9	Confident	82.9	Confident	0 Å²	0	42.8 Å²	42.8	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-69.4	-39.2	-179.6	-178.9	55.8	0	0	0	112.4	V223 L286 A422 R428 L429 H430 Y544	V223-L426 HydrophobicContact CG1-CD2 4.28Å; L286-L426 HydrophobicContact CD1-CB 4.06Å; L286-L426 HydrophobicContact CD1-CD2 3.66Å; L286-L426 HydrophobicContact CD1-CG 3.8Å; A422-L426 PolarHBondContact O-N 3.45Å; L426-R428 VanDerWaalsContact C-N 3.29Å; L426-R428 PolarHBondContact O-N 3.22Å; L426-L429 HydrophobicContact CD1-CD2 4.28Å; L426-L429 PolarHBondContact O-N 3.1Å; L426-H430 WeakPolarHBondContact CD1-NE2 3.5Å; L426-H430 PolarHBondContact O-CD2 2.75Å; L426-H430 PolarHBondContact O-N 3.16Å; L426-Y544 HydrophobicContact CD1-CD1 4.24Å; L426-Y544 HydrophobicContact CD1-CD2 4.09Å; L426-Y544 HydrophobicContact CD1-CE1 3.81Å; L426-Y544 HydrophobicContact CD1-CE2 3.64Å; L426-Y544 HydrophobicContact CD1-CG 4.37Å; L426-Y544 VanDerWaalsContact CD1-CZ 3.49Å; L426-Y544 HydrophobicContact CD2-CD1 3.82Å; L426-Y544 HydrophobicContact CD2-CE1 3.48Å; L426-Y544 VanDerWaalsContact CD2-CE1 3.48Å; L426-Y544 HydrophobicContact CG-CE1 4.3Å
427	S	86.3	Confident	84.3	Confident	53 Å²	53	47.5 Å²	47.5	37%	0.371	27%	0.266	S	S	.	.	H	α-helix	trans	-57.4	-42	170.9	-179.1	0	0	0	0	112	T423 H430 T431	T423-S427 WeakPolarHBondContact O-CB 3.5Å; T423-S427 PolarHBondContact O-N 3.29Å; S427-H430 PolarHBondContact O-N 3.31Å; S427-T431 WeakPolarHBondContact O-CB 3.46Å; S427-T431 PolarHBondContact O-N 3.42Å; S427-T431 PolarHBondContact O-OG1 3.38Å
428	R	87.1	Confident	85.2	Confident	101 Å²	101	49.3 Å²	49.3	38%	0.381	27%	0.273	S	S	.	.	H	α-helix	trans	-65.7	-41.3	177	-171.6	62.2	172.1	-179.2	0.8	112	H424 S425 L426 T431 M432 G577 C579	H424-R428 WeakPolarHBondContact O-CB 3.23Å; H424-R428 PolarHBondContact O-N 2.87Å; S425-R428 WeakPolarHBondContact O-CB 3.45Å; S425-R428 PolarHBondContact O-N 3.1Å; L426-R428 VanDerWaalsContact C-N 3.29Å; L426-R428 PolarHBondContact O-N 3.22Å; R428-T431 WeakPolarHBondContact O-CB 3.42Å; R428-T431 PolarHBondContact O-N 2.95Å; R428-M432 WeakPolarHBondContact O-CG 3.45Å; R428-M432 PolarHBondContact O-N 2.81Å; R428-G577 WeakPolarHBondContact CG-O 3.49Å; R428-G577 PolarHBondContact NE-O 3.18Å; R428-G577 PolarHBondContact NH2-O 3.35Å; R428-C579 HydrophobicContact CB-CB 4.3Å; R428-C579 HydrophobicContact CG-CB 4.2Å
429	L	89.9	Confident	86.1	Confident	5 Å²	5	49.9 Å²	49.9	3%	0.026	28%	0.281	C	S	.	.	H	α-helix	trans	-59.8	-51.1	173.3	177.2	62.1	0	0	0	111.4	S425 L426 T431 M432 L433 L498 V540	S425-L429 PolarHBondContact O-N 3.3Å; L426-L429 HydrophobicContact CD1-CD2 4.28Å; L426-L429 PolarHBondContact O-N 3.1Å; L429-T431 VanDerWaalsContact C-N 3.27Å; L429-T431 PolarHBondContact O-N 2.87Å; L429-M432 WeakPolarHBondContact O-CB 3.42Å; L429-M432 PolarHBondContact O-N 2.92Å; L429-M432 VanDerWaalsContact O-N 3.13Å; L429-L433 HydrophobicContact CD1-CD1 3.91Å; L429-L433 HydrophobicContact CD1-CG 4.25Å; L429-L433 HydrophobicContact CG-CD1 4.06Å; L429-L433 WeakPolarHBondContact O-CG 3.39Å; L429-L433 PolarHBondContact O-N 3.03Å; L429-L433 VanDerWaalsContact O-N 3.13Å; L429-L498 HydrophobicContact CD1-CD2 4.39Å; L429-V540 HydrophobicContact CD1-CG2 4.45Å; L429-V540 HydrophobicContact CD2-CG1 4.49Å; L429-V540 HydrophobicContact CD2-CG2 4.23Å
430	H	89.7	Confident	86.8	Confident	49 Å²	49	51 Å²	51	23%	0.227	29%	0.288	C	S	.	.	H	α-helix	trans	-59.3	-38.1	176	-68.7	-54.9	0	0	0	112.5	E289 L426 S427 M432 L433 T434 F494 Y544	E289-H430 IonicContact OE1-CE1 2.74Å; E289-H430 IonicContact OE1-NE2 2.67Å; L426-H430 WeakPolarHBondContact CD1-NE2 3.5Å; L426-H430 PolarHBondContact O-CD2 2.75Å; L426-H430 PolarHBondContact O-N 3.16Å; S427-H430 PolarHBondContact O-N 3.31Å; H430-M432 PolarHBondContact O-N 3.46Å; H430-L433 CarbonylContact O-C 3.52Å; H430-L433 PolarHBondContact O-N 3.44Å; H430-T434 PolarHBondContact O-N 3.34Å; H430-T434 PolarHBondContact O-OG1 2.85Å; H430-F494 AromaticContact CE1-CE2 3.87Å; H430-Y544 PolarHBondContact CE1-OH 3.28Å; H430-Y544 VanDerWaalsContact CE1-OH 3.3Å
431	T	89.9	Confident	87.6	Confident	82 Å²	82	52.1 Å²	52.1	50%	0.503	30%	0.296	S	S	.	.	H	α-helix	trans	-61.9	-42	175.5	-55.4	0	0	0	0	111.8	S427 R428 L429 L433 T434	S427-T431 WeakPolarHBondContact O-CB 3.46Å; S427-T431 PolarHBondContact O-N 3.42Å; S427-T431 PolarHBondContact O-OG1 3.38Å; R428-T431 WeakPolarHBondContact O-CB 3.42Å; R428-T431 PolarHBondContact O-N 2.95Å; L429-T431 VanDerWaalsContact C-N 3.27Å; L429-T431 PolarHBondContact O-N 2.87Å; T431-L433 VanDerWaalsContact C-N 3.29Å; T431-L433 PolarHBondContact O-N 2.99Å; T431-T434 PolarHBondContact O-N 3Å
432	M	90.2	Very high	88.4	Confident	16 Å²	16	58.1 Å²	58.1	8%	0.079	32%	0.322	C	S	.	.	H	α-helix	trans	-65.7	-30.2	177.1	-72	165.6	45.2	0	0	113.7	R428 L429 H430 L498 K501 E575 G577 L578	R428-M432 WeakPolarHBondContact O-CG 3.45Å; R428-M432 PolarHBondContact O-N 2.81Å; L429-M432 WeakPolarHBondContact O-CB 3.42Å; L429-M432 PolarHBondContact O-N 2.92Å; L429-M432 VanDerWaalsContact O-N 3.13Å; H430-M432 PolarHBondContact O-N 3.46Å; M432-L498 HydrophobicContact CE-CD1 3.71Å; M432-K501 PolarHBondContact O-NZ 3.37Å; M432-K501 VanDerWaalsContact O-NZ 3.16Å; M432-E575 HydrophobicContact CE-CG 3.53Å; M432-E575 HydrophobicContact SD-CG 4.46Å; M432-G577 VanDerWaalsContact SD-C 3.53Å; M432-L578 HydrophobicContact CE-CD2 3.97Å; M432-L578 HydrophobicContact SD-CD2 4.5Å
433	L	91.2	Very high	89	Confident	7 Å²	7	62 Å²	62	4%	0.037	34%	0.337	C	S	.	.	H	α-helix	trans	-92.1	-10.6	-178.3	-63.9	179.3	0	0	0	113.9	L429 H430 T431 G435 L436 F494 M497 L498	L429-L433 HydrophobicContact CD1-CD1 3.91Å; L429-L433 HydrophobicContact CD1-CG 4.25Å; L429-L433 HydrophobicContact CG-CD1 4.06Å; L429-L433 WeakPolarHBondContact O-CG 3.39Å; L429-L433 PolarHBondContact O-N 3.03Å; L429-L433 VanDerWaalsContact O-N 3.13Å; H430-L433 CarbonylContact O-C 3.52Å; H430-L433 PolarHBondContact O-N 3.44Å; T431-L433 VanDerWaalsContact C-N 3.29Å; T431-L433 PolarHBondContact O-N 2.99Å; L433-G435 PolarHBondContact O-N 2.94Å; L433-L436 HydrophobicContact CD2-CD1 4.31Å; L433-L436 PolarHBondContact O-N 3.32Å; L433-F494 HydrophobicContact CD1-CB 3.71Å; L433-F494 HydrophobicContact CD1-CD1 3.92Å; L433-F494 HydrophobicContact CD1-CG 3.83Å; L433-M497 HydrophobicContact CB-CE 4.1Å; L433-M497 HydrophobicContact CD2-CB 3.81Å; L433-M497 WeakPolarHBondContact O-CE 3.24Å; L433-L498 HydrophobicContact CD2-CB 4.09Å
434	T	90.6	Very high	89.5	Confident	112 Å²	112	61.7 Å²	61.7	69%	0.687	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.9	126.5	-176.7	-67.9	0	0	0	0	111	H430 T431 L436	H430-T434 PolarHBondContact O-N 3.34Å; H430-T434 PolarHBondContact O-OG1 2.85Å; T431-T434 PolarHBondContact O-N 3Å; T434-L436 VanDerWaalsContact C-N 3.32Å; T434-L436 PolarHBondContact O-N 3.26Å
435	G	87.3	Confident	89.9	Confident	82 Å²	82	59 Å²	59	85%	0.845	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.9	-1.1	-179.7	0	0	0	0	0	115.6	L433	L433-G435 PolarHBondContact O-N 2.94Å
436	L	90.7	Very high	90.3	Very high	62 Å²	62	65 Å²	65	33%	0.325	35%	0.35	S	S	.	.			trans	-82.9	162.6	174.8	-56	-175	0	0	0	112	L433 T434 M497 K501	L433-L436 HydrophobicContact CD2-CD1 4.31Å; L433-L436 PolarHBondContact O-N 3.32Å; T434-L436 VanDerWaalsContact C-N 3.32Å; T434-L436 PolarHBondContact O-N 3.26Å; L436-M497 HydrophobicContact CB-CE 3.88Å; L436-K501 HydrophobicContact CD1-CB 3.97Å; L436-K501 HydrophobicContact CD1-CD 3.93Å; L436-K501 HydrophobicContact CD1-CG 4.08Å
437	R	90.4	Very high	90.4	Very high	175 Å²	175	65.9 Å²	65.9	66%	0.66	35%	0.354	S	S	*	.			trans	-110.4	159.4	169.4	-62.2	178.9	-177.4	152.7	2.9	109.1	A439 E442	R437-A439 HydrophobicContact CB-CB 4.29Å; R437-A439 PolarHBondContact O-N 3.17Å; R437-E442 IonicContact NH1-OE1 3.36Å
438	N	88.8	Confident	90.6	Very high	83 Å²	83	63.4 Å²	63.4	44%	0.444	34%	0.337	S	S	.	.	S	Bend	trans	-83.8	47.7	172.3	75.4	-64.3	0	0	0	111	E496 M497	N438-E496 HydrophobicContact CB-CG 4.08Å; N438-E496 WeakPolarHBondContact CB-OE2 3.2Å; N438-E496 PolarHBondContact ND2-OE2 2.76Å; N438-M497 HydrophobicContact CB-CG 3.82Å
439	A	91.7	Very high	90.6	Very high	39 Å²	39	66.2 Å²	66.2	32%	0.322	35%	0.348	S	S	.	.	S	Bend	trans	-154.2	160.8	-171.8	0	0	0	0	0	108.1	R437 Y500	R437-A439 HydrophobicContact CB-CB 4.29Å; R437-A439 PolarHBondContact O-N 3.17Å; A439-Y500 VanDerWaalsContact C-CD2 3.48Å
440	P	92.6	Very high	90.5	Very high	23 Å²	23	70.9 Å²	70.9	15%	0.149	38%	0.376	C	S	.	.			trans	-57.8	152.6	170	27.1	-36	0	0	0	111.3	L444 E445 Y500	P440-L444 HydrophobicContact CB-CB 4.17Å; P440-L444 HydrophobicContact CB-CD2 3.83Å; P440-L444 HydrophobicContact CB-CG 4.01Å; P440-E445 HydrophobicContact CB-CG 3.85Å; P440-E445 HydrophobicContact CG-CG 3.58Å; P440-Y500 HydrophobicContact CB-CD1 4.08Å; P440-Y500 HydrophobicContact CB-CE1 4.23Å; P440-Y500 HydrophobicContact CG-CE1 4.42Å
441	S	94.1	Very high	90.3	Very high	42 Å²	42	69.2 Å²	69.2	29%	0.294	37%	0.37	S	S	.	.			trans	-73.3	158	168	75.9	0	0	0	0	110.1	K443 L444 E445 E504	S441-K443 PolarHBondContact O-N 3.49Å; S441-K443 VanDerWaalsContact O-N 3.14Å; S441-L444 PolarHBondContact O-N 3.22Å; S441-L444 WeakPolarHBondContact OG-CB 3.18Å; S441-L444 PolarHBondContact OG-N 2.94Å; S441-E445 PolarHBondContact O-N 2.93Å; S441-E504 WeakPolarHBondContact CB-OE2 3.49Å; S441-E504 PolarHBondContact OG-OE2 2.87Å
442	E	92.8	Very high	90.2	Very high	148 Å²	148	69.5 Å²	69.5	69%	0.692	38%	0.376	S	S	*	.	H	α-helix	trans	-55.5	-32.9	175.7	-67.9	162.4	-155.1	0	0	111.9	R437 Q446	R437-E442 IonicContact NH1-OE1 3.36Å; E442-Q446 PolarHBondContact O-N 2.86Å
443	K	91.8	Very high	90.1	Very high	91 Å²	91	76 Å²	76	40%	0.396	40%	0.399	S	S	.	.	H	α-helix	trans	-73.3	-42.1	174.2	175.1	172.3	155	-120.1	0	112.6	S441 Q446 I447 E504 E508	S441-K443 PolarHBondContact O-N 3.49Å; S441-K443 VanDerWaalsContact O-N 3.14Å; K443-Q446 PolarHBondContact O-N 2.82Å; K443-I447 HydrophobicContact CG-CD1 4.17Å; K443-I447 WeakPolarHBondContact O-CG1 3.2Å; K443-I447 PolarHBondContact O-N 2.92Å; K443-E504 IonicContact NZ-OE1 2.72Å; K443-E504 PolarHBondContact NZ-OE1 3.12Å; K443-E508 IonicContact NZ-OE1 3.9Å; K443-E508 PolarHBondContact NZ-OE1 3.38Å
444	L	92.4	Very high	90	Very high	0 Å²	0	80 Å²	80	0%	0	42%	0.42	C	S	.	.	H	α-helix	trans	-62.7	-46.6	174.1	178.7	56.9	0	0	0	110.2	P440 S441 Q446 I447 L448 Y500 L503 E504 I507	P440-L444 HydrophobicContact CB-CB 4.17Å; P440-L444 HydrophobicContact CB-CD2 3.83Å; P440-L444 HydrophobicContact CB-CG 4.01Å; S441-L444 PolarHBondContact O-N 3.22Å; S441-L444 WeakPolarHBondContact OG-CB 3.18Å; S441-L444 PolarHBondContact OG-N 2.94Å; L444-Q446 VanDerWaalsContact C-N 3.31Å; L444-Q446 PolarHBondContact O-N 3.03Å; L444-I447 PolarHBondContact O-N 2.81Å; L444-L448 HydrophobicContact CD1-CD1 4.49Å; L444-L448 HydrophobicContact CD1-CD2 4.01Å; L444-L448 HydrophobicContact CD1-CG 4.05Å; L444-L448 HydrophobicContact CG-CD1 4.36Å; L444-L448 HydrophobicContact CG-CG 4.29Å; L444-L448 WeakPolarHBondContact O-CG 3.44Å; L444-L448 PolarHBondContact O-N 3.23Å; L444-Y500 HydrophobicContact CD2-CD1 3.99Å; L444-L503 HydrophobicContact CD2-CD2 4.48Å; L444-E504 HydrophobicContact CB-CB 4.46Å; L444-E504 HydrophobicContact CB-CG 4.3Å; L444-E504 HydrophobicContact CD1-CB 4.34Å; L444-E504 HydrophobicContact CD2-CB 4.34Å; L444-I507 HydrophobicContact CD1-CD1 3.65Å
445	E	92.4	Very high	90.1	Very high	60 Å²	60	74.9 Å²	74.9	28%	0.28	39%	0.389	S	S	.	.	H	α-helix	trans	-54.7	-45.4	173.5	-74.5	-164.9	-141.5	0	0	112.2	P440 S441 I447 L448 R449	P440-E445 HydrophobicContact CB-CG 3.85Å; P440-E445 HydrophobicContact CG-CG 3.58Å; S441-E445 PolarHBondContact O-N 2.93Å; E445-I447 VanDerWaalsContact C-N 3.31Å; E445-I447 PolarHBondContact O-N 3.16Å; E445-L448 PolarHBondContact O-N 3.27Å; E445-R449 WeakPolarHBondContact O-CB 2.8Å; E445-R449 VanDerWaalsContact O-CG 3.25Å; E445-R449 WeakPolarHBondContact O-CG 3.18Å; E445-R449 PolarHBondContact O-N 2.85Å; E445-R449 IonicContact OE2-CZ 2.89Å; E445-R449 IonicContact OE2-NE 3.18Å; E445-R449 IonicContact OE2-NH2 2.7Å; E445-R449 PolarHBondContact OE2-NH2 3.22Å
446	Q	90	Very high	90.3	Very high	136 Å²	136	72.6 Å²	72.6	64%	0.636	36%	0.359	S	S	*	.	H	α-helix	trans	-58.1	-44.4	175.8	-171.9	179.3	13.3	0	0	111.4	E442 K443 L444 R449 T450	E442-Q446 PolarHBondContact O-N 2.86Å; K443-Q446 PolarHBondContact O-N 2.82Å; L444-Q446 VanDerWaalsContact C-N 3.31Å; L444-Q446 PolarHBondContact O-N 3.03Å; Q446-R449 PolarHBondContact O-N 3.1Å; Q446-T450 WeakPolarHBondContact O-CG2 3.24Å; Q446-T450 PolarHBondContact O-N 3.28Å; Q446-T450 VanDerWaalsContact O-N 3.12Å; Q446-T450 PolarHBondContact O-OG1 2.64Å
447	I	87.9	Confident	90.3	Very high	17 Å²	17	75.7 Å²	75.7	9%	0.087	37%	0.372	C	S	.	.	H	α-helix	trans	-66.5	-44.3	179.4	-63.1	161.4	0	0	0	111.4	K443 L444 E445 R449 T450 C451 I507	K443-I447 HydrophobicContact CG-CD1 4.17Å; K443-I447 WeakPolarHBondContact O-CG1 3.2Å; K443-I447 PolarHBondContact O-N 2.92Å; L444-I447 PolarHBondContact O-N 2.81Å; E445-I447 VanDerWaalsContact C-N 3.31Å; E445-I447 PolarHBondContact O-N 3.16Å; I447-R449 VanDerWaalsContact C-N 3.32Å; I447-R449 PolarHBondContact O-N 3.35Å; I447-T450 WeakPolarHBondContact CA-OG1 3.43Å; I447-T450 PolarHBondContact O-N 2.91Å; I447-T450 VanDerWaalsContact O-N 3.09Å; I447-T450 PolarHBondContact O-OG1 2.75Å; I447-C451 PolarHBondContact O-N 3.45Å; I447-C451 PolarHBondContact O-SG 3.49Å; I447-I507 HydrophobicContact CD1-CG2 4.43Å; I447-I507 HydrophobicContact CG2-CG2 3.62Å
448	L	90.3	Very high	90.4	Very high	2 Å²	2	69.9 Å²	69.9	1%	0.01	36%	0.361	C	S	.	.	H	α-helix	trans	-60.7	-41.9	178	-61.9	-171.1	0	0	0	111.4	L444 E445 T450 C451 P455 T456 I459 I507 L523	L444-L448 HydrophobicContact CD1-CD1 4.49Å; L444-L448 HydrophobicContact CD1-CD2 4.01Å; L444-L448 HydrophobicContact CD1-CG 4.05Å; L444-L448 HydrophobicContact CG-CD1 4.36Å; L444-L448 HydrophobicContact CG-CG 4.29Å; L444-L448 WeakPolarHBondContact O-CG 3.44Å; L444-L448 PolarHBondContact O-N 3.23Å; E445-L448 PolarHBondContact O-N 3.27Å; L448-T450 VanDerWaalsContact C-N 3.29Å; L448-T450 PolarHBondContact O-N 3.16Å; L448-C451 WeakPolarHBondContact O-CB 3.45Å; L448-C451 PolarHBondContact O-N 3.34Å; L448-P455 HydrophobicContact CB-CG 4.26Å; L448-P455 HydrophobicContact CD2-CG 3.86Å; L448-P455 HydrophobicContact CG-CG 4.4Å; L448-T456 VanDerWaalsContact CB-OG1 3.31Å; L448-T456 WeakPolarHBondContact CB-OG1 3.33Å; L448-T456 WeakPolarHBondContact CD1-OG1 3.42Å; L448-I459 HydrophobicContact CD1-CD1 4.17Å; L448-I507 HydrophobicContact CD2-CD1 4.08Å; L448-L523 HydrophobicContact CD2-CD1 3.87Å
449	R	88.7	Confident	90.7	Very high	160 Å²	160	66 Å²	66	60%	0.604	34%	0.341	S	S	*	.	H	α-helix	trans	-69.5	-18.2	175.6	-65.6	177.1	-159.9	-164.4	9.2	114.4	E445 Q446 I447	E445-R449 WeakPolarHBondContact O-CB 2.8Å; E445-R449 VanDerWaalsContact O-CG 3.25Å; E445-R449 WeakPolarHBondContact O-CG 3.18Å; E445-R449 PolarHBondContact O-N 2.85Å; E445-R449 IonicContact OE2-CZ 2.89Å; E445-R449 IonicContact OE2-NE 3.18Å; E445-R449 IonicContact OE2-NH2 2.7Å; E445-R449 PolarHBondContact OE2-NH2 3.22Å; Q446-R449 PolarHBondContact O-N 3.1Å; I447-R449 VanDerWaalsContact C-N 3.32Å; I447-R449 PolarHBondContact O-N 3.35Å
450	T	86.8	Confident	90.9	Very high	102 Å²	102	65.9 Å²	65.9	63%	0.626	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85	-7.8	172.8	54.2	0	0	0	0	114.4	Q446 I447 L448	Q446-T450 WeakPolarHBondContact O-CG2 3.24Å; Q446-T450 PolarHBondContact O-N 3.28Å; Q446-T450 VanDerWaalsContact O-N 3.12Å; Q446-T450 PolarHBondContact O-OG1 2.64Å; I447-T450 WeakPolarHBondContact CA-OG1 3.43Å; I447-T450 PolarHBondContact O-N 2.91Å; I447-T450 VanDerWaalsContact O-N 3.09Å; I447-T450 PolarHBondContact O-OG1 2.75Å; L448-T450 VanDerWaalsContact C-N 3.29Å; L448-T450 PolarHBondContact O-N 3.16Å
451	C	86.3	Confident	91	Very high	14 Å²	14	69.1 Å²	69.1	10%	0.095	36%	0.356	C	S	.	.	S	Bend	trans	-73.3	150.6	175.5	-57.9	0	0	0	0	110.5	I447 L448 R453 D518 S520	I447-C451 PolarHBondContact O-N 3.45Å; I447-C451 PolarHBondContact O-SG 3.49Å; L448-C451 WeakPolarHBondContact O-CB 3.45Å; L448-C451 PolarHBondContact O-N 3.34Å; C451-R453 PolarHBondContact O-N 3.46Å; C451-D518 WeakPolarHBondContact CA-OD1 3.24Å; C451-S520 VanDerWaalsContact CB-OG 3.3Å; C451-S520 WeakPolarHBondContact CB-OG 3.47Å
452	S	87.6	Confident	91	Very high	89 Å²	89	68.2 Å²	68.2	62%	0.622	35%	0.346	S	S	*	.	S	Bend	trans	-62.1	-22.1	-174.6	70.8	0	0	0	0	113.9	D518 S520	S452-D518 VanDerWaalsContact CB-OD2 3.25Å; S452-D518 WeakPolarHBondContact CB-OD2 3.36Å; S452-D518 PolarHBondContact N-OD1 3.1Å; S452-D518 PolarHBondContact OG-OD2 3.34Å; S452-S520 PolarHBondContact N-OG 2.71Å
453	R	88.4	Confident	91.1	Very high	153 Å²	153	61.2 Å²	61.2	58%	0.577	31%	0.313	S	S	*	.	S	Bend	trans	-133.4	122.4	167.5	-54.8	169.6	-173.9	166.1	3.4	107.6	C451 P455 S520 E524	C451-R453 PolarHBondContact O-N 3.46Å; R453-P455 VanDerWaalsContact O-CD 3.29Å; R453-P455 WeakPolarHBondContact O-CD 3.46Å; R453-S520 PolarHBondContact N-OG 3.33Å; R453-S520 PolarHBondContact O-OG 3.42Å; R453-E524 WeakPolarHBondContact CD-OE1 3.42Å; R453-E524 IonicContact CZ-OE1 2.74Å; R453-E524 IonicContact CZ-OE2 2.74Å; R453-E524 IonicContact NE-OE1 2.67Å; R453-E524 VanDerWaalsContact NH1-CD 3.25Å; R453-E524 IonicContact NH1-OE1 2.67Å; R453-E524 PolarHBondContact NH1-OE1 3.02Å; R453-E524 IonicContact NH1-OE2 3.75Å; R453-E524 PolarHBondContact NH1-OE2 3.42Å
454	D	88.8	Confident	91.2	Very high	89 Å²	89	63 Å²	63	48%	0.476	32%	0.321	S	S	.	.			trans	-71.8	115.1	-179.2	-176.9	-4.3	0	0	0	111.1	T456	D454-T456 VanDerWaalsContact C-N 3.34Å; D454-T456 WeakPolarHBondContact OD1-CB 3.36Å; D454-T456 PolarHBondContact OD1-N 3.49Å; D454-T456 PolarHBondContact OD1-OG1 2.77Å
455	P	91.8	Very high	91.4	Very high	6 Å²	6	66.6 Å²	66.6	4%	0.039	34%	0.338	C	S	.	.			trans	-84.6	-3.9	-179.8	37.9	-38.2	0	0	0	113.4	L448 R453 Q457 A458 I459 L523	L448-P455 HydrophobicContact CB-CG 4.26Å; L448-P455 HydrophobicContact CD2-CG 3.86Å; L448-P455 HydrophobicContact CG-CG 4.4Å; R453-P455 VanDerWaalsContact O-CD 3.29Å; R453-P455 WeakPolarHBondContact O-CD 3.46Å; P455-Q457 PolarHBondContact O-N 2.87Å; P455-A458 PolarHBondContact O-N 3.23Å; P455-I459 HydrophobicContact CB-CD1 3.93Å; P455-I459 HydrophobicContact CB-CG1 4.41Å; P455-I459 HydrophobicContact CG-CD1 4.02Å; P455-I459 WeakPolarHBondContact O-CG1 3.2Å; P455-I459 PolarHBondContact O-N 3.37Å; P455-L523 HydrophobicContact CB-CB 4.13Å; P455-L523 HydrophobicContact CG-CB 3.92Å; P455-L523 HydrophobicContact CG-CD1 4.32Å
456	T	91.4	Very high	91.5	Very high	34 Å²	34	63.8 Å²	63.8	21%	0.209	32%	0.324	C	S	.	.	H	α-helix	trans	-54.1	-50.7	-167	-58.1	0	0	0	0	112.7	L448 D454 A458 I459 A460	L448-T456 VanDerWaalsContact CB-OG1 3.31Å; L448-T456 WeakPolarHBondContact CB-OG1 3.33Å; L448-T456 WeakPolarHBondContact CD1-OG1 3.42Å; D454-T456 VanDerWaalsContact C-N 3.34Å; D454-T456 WeakPolarHBondContact OD1-CB 3.36Å; D454-T456 PolarHBondContact OD1-N 3.49Å; D454-T456 PolarHBondContact OD1-OG1 2.77Å; T456-A458 PolarHBondContact O-N 2.84Å; T456-I459 PolarHBondContact O-N 3.5Å; T456-A460 PolarHBondContact O-N 3.21Å
457	Q	91.7	Very high	91.6	Very high	126 Å²	126	60.7 Å²	60.7	59%	0.589	31%	0.309	S	S	*	.	H	α-helix	trans	-68.8	-33.7	179.9	-168.6	63.3	58	0	0	112.5	P455 A460 N461	P455-Q457 PolarHBondContact O-N 2.87Å; Q457-A460 PolarHBondContact O-N 3.18Å; Q457-N461 PolarHBondContact NE2-OD1 3.27Å; Q457-N461 WeakPolarHBondContact O-CB 3.49Å; Q457-N461 PolarHBondContact O-N 3.46Å; Q457-N461 PolarHBondContact O-OD1 2.87Å
458	A	93.1	Very high	91.8	Very high	53 Å²	53	64.2 Å²	64.2	44%	0.438	33%	0.325	S	S	.	.	H	α-helix	trans	-69.4	-36.3	177.4	0	0	0	0	0	111.9	P455 T456 R462	P455-A458 PolarHBondContact O-N 3.23Å; T456-A458 PolarHBondContact O-N 2.84Å; A458-R462 WeakPolarHBondContact O-CB 3.32Å; A458-R462 PolarHBondContact O-N 3.19Å; A458-R462 VanDerWaalsContact O-N 3.17Å
459	I	95.1	Very high	91.8	Very high	2 Å²	2	66 Å²	66	1%	0.01	34%	0.335	C	S	.	.	H	α-helix	trans	-64.9	-50.9	171.9	-72.1	166.1	0	0	0	110.4	L448 P455 T456 N461 R462 L463 Y499 Y500 L503 H529	L448-I459 HydrophobicContact CD1-CD1 4.17Å; P455-I459 HydrophobicContact CB-CD1 3.93Å; P455-I459 HydrophobicContact CB-CG1 4.41Å; P455-I459 HydrophobicContact CG-CD1 4.02Å; P455-I459 WeakPolarHBondContact O-CG1 3.2Å; P455-I459 PolarHBondContact O-N 3.37Å; T456-I459 PolarHBondContact O-N 3.5Å; I459-N461 PolarHBondContact O-N 3.13Å; I459-R462 PolarHBondContact O-N 3.48Å; I459-L463 HydrophobicContact CG2-CD1 4.38Å; I459-L463 PolarHBondContact O-N 3.18Å; I459-Y499 HydrophobicContact CG2-CE1 3.89Å; I459-Y499 WeakPolarHBondContact CG2-OH 2.97Å; I459-Y500 HydrophobicContact CG2-CE1 4.11Å; I459-L503 HydrophobicContact CD1-CD2 4.27Å; I459-H529 VanDerWaalsContact CD1-CE1 3.49Å; I459-H529 WeakPolarHBondContact CD1-CE1 3.3Å
460	A	94	Very high	91.8	Very high	37 Å²	37	58.4 Å²	58.4	31%	0.306	31%	0.306	S	S	.	.	H	α-helix	trans	-60.2	-43.3	179.9	0	0	0	0	0	112.7	T456 Q457 R462 L463 K464	T456-A460 PolarHBondContact O-N 3.21Å; Q457-A460 PolarHBondContact O-N 3.18Å; A460-R462 PolarHBondContact O-N 3.07Å; A460-L463 PolarHBondContact O-N 2.69Å; A460-K464 PolarHBondContact O-N 3.11Å; A460-K464 VanDerWaalsContact O-N 3.07Å
461	N	95	Very high	91.8	Very high	91 Å²	91	55.3 Å²	55.3	49%	0.487	29%	0.288	S	S	.	.	H	α-helix	trans	-61.9	-43.2	176.7	-71.9	-3.3	0	0	0	112	Q457 I459 K464 E465	Q457-N461 PolarHBondContact NE2-OD1 3.27Å; Q457-N461 WeakPolarHBondContact O-CB 3.49Å; Q457-N461 PolarHBondContact O-N 3.46Å; Q457-N461 PolarHBondContact O-OD1 2.87Å; I459-N461 PolarHBondContact O-N 3.13Å; N461-K464 PolarHBondContact O-N 2.83Å; N461-E465 PolarHBondContact O-N 3.38Å
462	R	94.9	Very high	91.6	Very high	23 Å²	23	60.6 Å²	60.6	9%	0.087	31%	0.311	C	S	.	.	H	α-helix	trans	-64.3	-42.4	177.6	179.9	-172.9	-65.7	109.5	4.6	112.4	A458 I459 A460 K464 E465 M466 D526 H529	A458-R462 WeakPolarHBondContact O-CB 3.32Å; A458-R462 PolarHBondContact O-N 3.19Å; A458-R462 VanDerWaalsContact O-N 3.17Å; I459-R462 PolarHBondContact O-N 3.48Å; A460-R462 PolarHBondContact O-N 3.07Å; R462-K464 VanDerWaalsContact C-N 3.3Å; R462-K464 PolarHBondContact O-N 3.29Å; R462-E465 PolarHBondContact O-N 3.37Å; R462-M466 HydrophobicContact CG-SD 4.14Å; R462-M466 WeakPolarHBondContact O-CG 3.45Å; R462-M466 PolarHBondContact O-N 3.4Å; R462-D526 IonicContact CZ-OD1 2.8Å; R462-D526 IonicContact NE-OD1 2.72Å; R462-D526 PolarHBondContact NE-OD1 3.32Å; R462-D526 IonicContact NH2-OD1 2.73Å; R462-D526 PolarHBondContact NH2-OD1 3.47Å; R462-H529 PolarHBondContact NH1-CD2 3.16Å; R462-H529 VanDerWaalsContact NH1-CD2 3.32Å
463	L	95.3	Very high	91.2	Very high	1 Å²	1	61.4 Å²	61.4	1%	0.005	31%	0.305	C	S	.	.	H	α-helix	trans	-62.4	-39.9	176.4	-98.2	58.7	0	0	0	111.3	I459 A460 M466 F467 F492 E496 Y499 Y500 L533	I459-L463 HydrophobicContact CG2-CD1 4.38Å; I459-L463 PolarHBondContact O-N 3.18Å; A460-L463 PolarHBondContact O-N 2.69Å; L463-M466 PolarHBondContact O-N 3.24Å; L463-F467 PolarHBondContact O-N 2.67Å; L463-F492 WeakPolarHBondContact O-CZ 3.22Å; L463-E496 HydrophobicContact CD2-CG 4.08Å; L463-Y499 HydrophobicContact CD1-CD1 4.17Å; L463-Y499 HydrophobicContact CD1-CE1 3.68Å; L463-Y499 HydrophobicContact CD1-CE2 4.27Å; L463-Y499 HydrophobicContact CD2-CD1 3.66Å; L463-Y499 HydrophobicContact CD2-CE1 3.68Å; L463-Y499 HydrophobicContact CG-CD1 4.44Å; L463-Y499 HydrophobicContact CG-CE1 4.32Å; L463-Y500 HydrophobicContact CD2-CE1 4.33Å; L463-Y500 HydrophobicContact CD2-CE2 3.74Å; L463-Y500 WeakPolarHBondContact CD2-OH 3.34Å; L463-L533 HydrophobicContact CD1-CD2 3.93Å; L463-L533 HydrophobicContact CG-CD1 4.48Å; L463-L533 HydrophobicContact CG-CD2 3.86Å
464	K	94.3	Very high	90.1	Very high	129 Å²	129	57 Å²	57	56%	0.561	29%	0.291	S	S	*	.	H	α-helix	trans	-64.4	-46.9	173.8	-175.9	-176.9	165.8	-173	0	112.5	A460 N461 R462 M466 F467 E468	A460-K464 PolarHBondContact O-N 3.11Å; A460-K464 VanDerWaalsContact O-N 3.07Å; N461-K464 PolarHBondContact O-N 2.83Å; R462-K464 VanDerWaalsContact C-N 3.3Å; R462-K464 PolarHBondContact O-N 3.29Å; K464-M466 VanDerWaalsContact C-N 3.33Å; K464-M466 PolarHBondContact O-N 3.29Å; K464-F467 WeakPolarHBondContact O-CB 3.47Å; K464-F467 PolarHBondContact O-N 3.49Å; K464-F467 VanDerWaalsContact O-N 3.14Å; K464-E468 WeakPolarHBondContact CE-OE1 3.45Å; K464-E468 IonicContact NZ-OE1 3.65Å; K464-E468 WeakPolarHBondContact O-CG 3.45Å; K464-E468 PolarHBondContact O-N 2.98Å
465	E	95.1	Very high	88.4	Confident	75 Å²	75	58.7 Å²	58.7	35%	0.35	30%	0.295	S	S	.	.	H	α-helix	trans	-54.5	-49	175.1	-174.9	-155.3	135.3	0	0	111	N461 R462 F467 E468 I469 R530	N461-E465 PolarHBondContact O-N 3.38Å; R462-E465 PolarHBondContact O-N 3.37Å; E465-F467 VanDerWaalsContact C-N 3.32Å; E465-F467 PolarHBondContact O-N 3.43Å; E465-E468 PolarHBondContact O-N 3.04Å; E465-I469 HydrophobicContact CG-CD1 4.05Å; E465-I469 WeakPolarHBondContact O-CG1 3.29Å; E465-I469 PolarHBondContact O-N 3.32Å; E465-R530 VanDerWaalsContact CD-NH2 3.28Å; E465-R530 IonicContact OE1-CZ 3.9Å; E465-R530 IonicContact OE1-NH1 2.76Å; E465-R530 PolarHBondContact OE1-NH1 2.99Å; E465-R530 IonicContact OE1-NH2 4Å; E465-R530 PolarHBondContact OE1-NH2 3.16Å; E465-R530 IonicContact OE2-CZ 3.99Å; E465-R530 IonicContact OE2-NH2 2.74Å; E465-R530 PolarHBondContact OE2-NH2 3.41Å
466	M	94.6	Very high	86.5	Confident	0 Å²	0	60.4 Å²	60.4	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-66.5	-31.5	178.7	-67.1	179.2	74.7	0	0	112.5	R462 L463 K464 Y470 F492 R530 L533 F557	R462-M466 HydrophobicContact CG-SD 4.14Å; R462-M466 WeakPolarHBondContact O-CG 3.45Å; R462-M466 PolarHBondContact O-N 3.4Å; L463-M466 PolarHBondContact O-N 3.24Å; K464-M466 VanDerWaalsContact C-N 3.33Å; K464-M466 PolarHBondContact O-N 3.29Å; M466-Y470 VanDerWaalsContact O-CB 3.23Å; M466-Y470 WeakPolarHBondContact O-CB 3.49Å; M466-Y470 PolarHBondContact O-N 2.95Å; M466-F492 HydrophobicContact CB-CE2 4.37Å; M466-F492 HydrophobicContact CB-CZ 4.18Å; M466-R530 HydrophobicContact CE-CB 4.19Å; M466-R530 HydrophobicContact CE-CG 4.45Å; M466-R530 HydrophobicContact SD-CB 4.18Å; M466-R530 HydrophobicContact SD-CG 3.9Å; M466-L533 HydrophobicContact CB-CD2 3.92Å; M466-L533 HydrophobicContact CE-CB 4.12Å; M466-L533 HydrophobicContact CE-CD2 3.99Å; M466-L533 HydrophobicContact CE-CG 4.36Å; M466-L533 HydrophobicContact CG-CD2 4.43Å; M466-L533 HydrophobicContact SD-CB 4.34Å; M466-L533 HydrophobicContact SD-CD2 3.71Å; M466-F557 HydrophobicContact CB-CD1 4.31Å; M466-F557 HydrophobicContact CB-CE1 3.91Å; M466-F557 HydrophobicContact CB-CZ 4.27Å; M466-F557 HydrophobicContact CE-CB 4.05Å; M466-F557 HydrophobicContact CE-CD1 3.88Å; M466-F557 HydrophobicContact CE-CD2 3.4Å; M466-F557 HydrophobicContact CE-CE1 4.15Å; M466-F557 HydrophobicContact CE-CE2 3.66Å; M466-F557 HydrophobicContact CE-CG 3.52Å; M466-F557 HydrophobicContact CE-CZ 4.04Å; M466-F557 HydrophobicContact CG-CD1 4.32Å; M466-F557 HydrophobicContact CG-CE1 4.4Å; M466-F557 VanDerWaalsContact O-CE1 3.28Å; M466-F557 WeakPolarHBondContact O-CE1 3.25Å
467	F	93.3	Very high	84.1	Confident	72 Å²	72	66 Å²	66	32%	0.316	34%	0.335	S	S	.	.	H	α-helix	trans	-65.7	-42.4	172.2	178.1	-115.5	0	0	0	112.3	L463 K464 E465 Y470 S471 F492	L463-F467 PolarHBondContact O-N 2.67Å; K464-F467 WeakPolarHBondContact O-CB 3.47Å; K464-F467 PolarHBondContact O-N 3.49Å; K464-F467 VanDerWaalsContact O-N 3.14Å; E465-F467 VanDerWaalsContact C-N 3.32Å; E465-F467 PolarHBondContact O-N 3.43Å; F467-Y470 PolarHBondContact O-N 2.86Å; F467-S471 WeakPolarHBondContact CE2-OG 3.48Å; F467-S471 WeakPolarHBondContact CZ-OG 3.47Å; F467-S471 VanDerWaalsContact O-CB 3.29Å; F467-S471 WeakPolarHBondContact O-CB 3.18Å; F467-S471 PolarHBondContact O-N 3.22Å; F467-S471 PolarHBondContact O-OG 3.41Å; F467-F492 VanDerWaalsContact CA-CZ 3.5Å; F467-F492 HydrophobicContact CB-CD1 4.05Å; F467-F492 HydrophobicContact CB-CE1 3.63Å; F467-F492 HydrophobicContact CB-CE2 4.15Å; F467-F492 HydrophobicContact CB-CG 4.49Å; F467-F492 HydrophobicContact CB-CZ 3.66Å; F467-F492 HydrophobicContact CD2-CB 3.93Å; F467-F492 AromaticContact CD2-CD1 3.62Å; F467-F492 HydrophobicContact CD2-CD1 3.62Å; F467-F492 HydrophobicContact CD2-CD2 4.08Å; F467-F492 HydrophobicContact CD2-CE1 4.12Å; F467-F492 AromaticContact CD2-CG 3.6Å; F467-F492 HydrophobicContact CD2-CG 3.6Å; F467-F492 HydrophobicContact CE2-CB 4.22Å; F467-F492 HydrophobicContact CE2-CG 4.38Å; F467-F492 HydrophobicContact CG-CD1 4.2Å; F467-F492 HydrophobicContact CG-CE1 4.27Å; F467-F492 VanDerWaalsContact N-CZ 3.34Å
468	E	91.8	Very high	81.7	Confident	91 Å²	91	68.9 Å²	68.9	43%	0.425	35%	0.349	S	S	.	.	H	α-helix	trans	-65.6	-44.9	178.9	-71.1	174.4	-176.5	0	0	111.2	K464 E465 S471 Q472	K464-E468 WeakPolarHBondContact CE-OE1 3.45Å; K464-E468 IonicContact NZ-OE1 3.65Å; K464-E468 WeakPolarHBondContact O-CG 3.45Å; K464-E468 PolarHBondContact O-N 2.98Å; E465-E468 PolarHBondContact O-N 3.04Å; E468-S471 PolarHBondContact O-N 3.06Å; E468-Q472 VanDerWaalsContact O-CG 3.31Å; E468-Q472 WeakPolarHBondContact O-CG 3.36Å; E468-Q472 PolarHBondContact O-N 3.15Å; E468-Q472 PolarHBondContact O-NE2 2.96Å
469	I	90.9	Very high	79.3	Confident	40 Å²	40	73.7 Å²	73.7	21%	0.205	37%	0.367	C	S	.	.	H	α-helix	trans	-60.9	-47.7	174.8	-64.7	166	0	0	0	111.1	E465 S471 Q472 H473 I556 F557	E465-I469 HydrophobicContact CG-CD1 4.05Å; E465-I469 WeakPolarHBondContact O-CG1 3.29Å; E465-I469 PolarHBondContact O-N 3.32Å; I469-S471 VanDerWaalsContact C-N 3.34Å; I469-S471 PolarHBondContact O-N 3.11Å; I469-Q472 PolarHBondContact O-N 2.86Å; I469-H473 PolarHBondContact O-N 3.31Å; I469-H473 PolarHBondContact O-ND1 2.75Å; I469-I556 HydrophobicContact CG2-CG2 3.76Å; I469-I556 WeakPolarHBondContact CG2-O 3.5Å; I469-F557 HydrophobicContact CG2-CD1 4.19Å; I469-F557 HydrophobicContact CG2-CE1 4.44Å
470	Y	88.8	Confident	77.2	Confident	0 Å²	0	78.4 Å²	78.4	0%	0	39%	0.388	C	S	.	.	H	α-helix	trans	-62.3	-40.5	179.9	-178.4	-106.8	0	0	0	112.3	M466 F467 Q472 H473 F474 A488 F492 L537 I553 F557	M466-Y470 VanDerWaalsContact O-CB 3.23Å; M466-Y470 WeakPolarHBondContact O-CB 3.49Å; M466-Y470 PolarHBondContact O-N 2.95Å; F467-Y470 PolarHBondContact O-N 2.86Å; Y470-Q472 VanDerWaalsContact C-N 3.33Å; Y470-Q472 PolarHBondContact O-N 3.05Å; Y470-H473 PolarHBondContact O-N 3.37Å; Y470-F474 HydrophobicContact CD2-CD2 4.18Å; Y470-F474 HydrophobicContact CD2-CE2 4.18Å; Y470-F474 HydrophobicContact CE1-CD2 4.16Å; Y470-F474 HydrophobicContact CE1-CE2 4.31Å; Y470-F474 AromaticContact CE2-CD2 3.72Å; Y470-F474 HydrophobicContact CE2-CD2 3.72Å; Y470-F474 AromaticContact CE2-CE2 3.35Å; Y470-F474 HydrophobicContact CE2-CE2 3.35Å; Y470-F474 HydrophobicContact CE2-CZ 4.31Å; Y470-F474 AromaticContact CZ-CD2 3.71Å; Y470-F474 AromaticContact CZ-CE2 3.43Å; Y470-F474 VanDerWaalsContact CZ-CE2 3.43Å; Y470-F474 PolarHBondContact O-N 2.81Å; Y470-F474 WeakPolarHBondContact OH-CE2 3.35Å; Y470-A488 HydrophobicContact CE1-CB 3.9Å; Y470-F492 HydrophobicContact CD1-CB 4.24Å; Y470-F492 AromaticContact CD1-CD2 3.79Å; Y470-F492 HydrophobicContact CD1-CD2 3.79Å; Y470-F492 HydrophobicContact CD1-CG 4.46Å; Y470-F492 HydrophobicContact CE1-CB 4.31Å; Y470-F492 HydrophobicContact CE1-CD2 4.44Å; Y470-F492 HydrophobicContact CG-CD2 4.04Å; Y470-L537 HydrophobicContact CD2-CD2 3.66Å; Y470-L537 HydrophobicContact CE2-CD1 4.45Å; Y470-L537 HydrophobicContact CE2-CD2 3.59Å; Y470-L537 HydrophobicContact CE2-CG 4.28Å; Y470-L537 HydrophobicContact CG-CD2 4.17Å; Y470-I553 HydrophobicContact CE2-CD1 3.92Å; Y470-F557 HydrophobicContact CD2-CZ 4.25Å; Y470-F557 HydrophobicContact CG-CZ 4.47Å
471	S	85.3	Confident	75.3	Confident	36 Å²	36	77.7 Å²	77.7	25%	0.252	38%	0.38	S	S	.	.	H	α-helix	trans	-67.6	-31	179.9	-60.4	0	0	0	0	113.1	F467 E468 I469	F467-S471 WeakPolarHBondContact CE2-OG 3.48Å; F467-S471 WeakPolarHBondContact CZ-OG 3.47Å; F467-S471 VanDerWaalsContact O-CB 3.29Å; F467-S471 WeakPolarHBondContact O-CB 3.18Å; F467-S471 PolarHBondContact O-N 3.22Å; F467-S471 PolarHBondContact O-OG 3.41Å; E468-S471 PolarHBondContact O-N 3.06Å; I469-S471 VanDerWaalsContact C-N 3.34Å; I469-S471 PolarHBondContact O-N 3.11Å
472	Q	83.6	Confident	73.7	Confident	125 Å²	125	79.4 Å²	79.4	58%	0.584	39%	0.389	S	S	*	.	H	α-helix	trans	-69.7	-36.4	176.1	-71.5	168.8	37.5	0	0	112.5	E468 I469 Y470 F474	E468-Q472 VanDerWaalsContact O-CG 3.31Å; E468-Q472 WeakPolarHBondContact O-CG 3.36Å; E468-Q472 PolarHBondContact O-N 3.15Å; E468-Q472 PolarHBondContact O-NE2 2.96Å; I469-Q472 PolarHBondContact O-N 2.86Å; Y470-Q472 VanDerWaalsContact C-N 3.33Å; Y470-Q472 PolarHBondContact O-N 3.05Å; Q472-F474 VanDerWaalsContact C-N 3.31Å; Q472-F474 PolarHBondContact O-N 2.93Å
473	H	77.7	Confident	71.9	Confident	106 Å²	106	80.1 Å²	80.1	49%	0.491	40%	0.398	S	S	.	.	H	α-helix	trans	-79	-9.9	-179.4	-71	84.8	0	0	0	114.1	I469 Y470 I556	I469-H473 PolarHBondContact O-N 3.31Å; I469-H473 PolarHBondContact O-ND1 2.75Å; Y470-H473 PolarHBondContact O-N 3.37Å; H473-I556 HydrophobicContact CB-CD1 4.07Å; H473-I556 HydrophobicContact CB-CG1 4.2Å; H473-I556 HydrophobicContact CB-CG2 4.46Å
474	F	65.4	Low	70.4	Confident	62 Å²	62	80.4 Å²	80.4	27%	0.272	40%	0.4	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.2	23.4	-178.1	-102.5	-90.7	0	0	0	114.3	Y470 Q472 P476 A488 F552	Y470-F474 HydrophobicContact CD2-CD2 4.18Å; Y470-F474 HydrophobicContact CD2-CE2 4.18Å; Y470-F474 HydrophobicContact CE1-CD2 4.16Å; Y470-F474 HydrophobicContact CE1-CE2 4.31Å; Y470-F474 AromaticContact CE2-CD2 3.72Å; Y470-F474 HydrophobicContact CE2-CD2 3.72Å; Y470-F474 AromaticContact CE2-CE2 3.35Å; Y470-F474 HydrophobicContact CE2-CE2 3.35Å; Y470-F474 HydrophobicContact CE2-CZ 4.31Å; Y470-F474 AromaticContact CZ-CD2 3.71Å; Y470-F474 AromaticContact CZ-CE2 3.43Å; Y470-F474 VanDerWaalsContact CZ-CE2 3.43Å; Y470-F474 PolarHBondContact O-N 2.81Å; Y470-F474 WeakPolarHBondContact OH-CE2 3.35Å; Q472-F474 VanDerWaalsContact C-N 3.31Å; Q472-F474 PolarHBondContact O-N 2.93Å; F474-P476 WeakPolarHBondContact O-CD 3.23Å; F474-A488 HydrophobicContact CB-CB 3.96Å; F474-A488 HydrophobicContact CD1-CB 3.98Å; F474-A488 HydrophobicContact CG-CB 3.91Å; F474-F552 AromaticContact CE2-CE1 3.89Å; F474-F552 HydrophobicContact CE2-CE1 3.89Å; F474-F552 HydrophobicContact CE2-CZ 4.42Å; F474-F552 HydrophobicContact CZ-CE1 4.23Å
475	Q	54.2	Low	69.2	Low	123 Å²	123	77.6 Å²	77.6	58%	0.575	39%	0.388	S	S	*	.	P	Polyproline II helix	trans	-85.4	116.7	178.2	-62.7	-158.9	87.1	0	0	111.8	K485	Q475-K485 VanDerWaalsContact OE1-NZ 3.09Å
476	P	50.5	Low	68.2	Low	43 Å²	43	80.9 Å²	80.9	28%	0.279	40%	0.403	S	S	.	.	P	Polyproline II helix	trans	-88.7	169.7	173.8	2.2	18.5	0	0	0	112.2	F474 A484	F474-P476 WeakPolarHBondContact O-CD 3.23Å; P476-A484 HydrophobicContact CG-CB 3.39Å
477	D	41.7	Very low	67.3	Low	152 Å²	152	83.7 Å²	83.7	81%	0.813	42%	0.418	S	S	*	.	P	Polyproline II helix	trans	-47.9	150.6	162	-75.6	-54.5	0	0	0	112.5	D479 F480	D477-D479 VanDerWaalsContact C-N 3.33Å; D477-D479 PolarHBondContact O-N 2.82Å; D477-D479 VanDerWaalsContact O-N 3.1Å; D477-F480 PolarHBondContact O-N 2.88Å
478	E	41.1	Very low	66.6	Low	185 Å²	185	80.4 Å²	80.4	86%	0.864	40%	0.404	S	S	*	.	G	3₁₀ helix	trans	-59.1	-36.2	-153.6	-56.9	-165.6	135.2	0	0	114.7	F480 S481	E478-F480 VanDerWaalsContact C-N 3.27Å; E478-F480 PolarHBondContact O-N 3.35Å; E478-F480 VanDerWaalsContact O-N 3.15Å; E478-S481 PolarHBondContact O-N 3.38Å
479	D	44	Very low	66.4	Low	155 Å²	155	77.4 Å²	77.4	83%	0.829	39%	0.393	S	S	*	.	G	3₁₀ helix	trans	-61.4	-24.1	-173.1	-78.4	-34.6	0	0	0	115.4	D477	D477-D479 VanDerWaalsContact C-N 3.33Å; D477-D479 PolarHBondContact O-N 2.82Å; D477-D479 VanDerWaalsContact O-N 3.1Å
480	F	49.6	Very low	66.2	Low	101 Å²	101	78.7 Å²	78.7	44%	0.443	40%	0.397	S	S	.	.	G	3₁₀ helix	trans	-122.5	9.4	-174.5	-66.3	-86	0	0	0	114.2	D477 E478 N482 C483	D477-F480 PolarHBondContact O-N 2.88Å; E478-F480 VanDerWaalsContact C-N 3.27Å; E478-F480 PolarHBondContact O-N 3.35Å; E478-F480 VanDerWaalsContact O-N 3.15Å; F480-N482 PolarHBondContact O-N 3.27Å; F480-C483 PolarHBondContact O-N 3.44Å
481	S	55.3	Low	66.1	Low	21 Å²	21	79.7 Å²	79.7	15%	0.147	40%	0.402	C	S	.	.	H	α-helix	trans	-55.5	-41.5	-163.4	-153.7	0	0	0	0	115.3	E478 K485	E478-S481 PolarHBondContact O-N 3.38Å; S481-K485 WeakPolarHBondContact O-CD 3.39Å; S481-K485 WeakPolarHBondContact O-CG 3.44Å; S481-K485 PolarHBondContact O-N 3.06Å; S481-K485 PolarHBondContact OG-NZ 2.96Å
482	N	59.7	Low	66.5	Low	127 Å²	127	78.2 Å²	78.2	68%	0.679	39%	0.391	S	S	*	.	H	α-helix	trans	-72	-42.6	-171.7	-67.9	-14.5	0	0	0	113.5	F480 A484 K485 E486	F480-N482 PolarHBondContact O-N 3.27Å; N482-A484 VanDerWaalsContact C-N 3.33Å; N482-A484 PolarHBondContact O-N 3.09Å; N482-K485 PolarHBondContact O-N 3.49Å; N482-E486 PolarHBondContact O-N 3.48Å
483	C	57.7	Low	67	Low	39 Å²	39	79.5 Å²	79.5	26%	0.264	39%	0.39	S	S	.	.	H	α-helix	trans	-65.4	-37.3	-178.4	-176.7	0	0	0	0	111.9	F480 E486 I487	F480-C483 PolarHBondContact O-N 3.44Å; C483-E486 PolarHBondContact O-N 3.29Å; C483-I487 WeakPolarHBondContact O-CG1 3.49Å; C483-I487 PolarHBondContact O-N 3.18Å; C483-I487 VanDerWaalsContact O-N 3.13Å
484	A	63.5	Low	67.8	Low	7 Å²	7	76.3 Å²	76.3	6%	0.058	38%	0.375	C	S	.	.	H	α-helix	trans	-64.6	-40.4	176.7	0	0	0	0	0	112	M217 P476 N482 E486 I487 A488	M217-A484 HydrophobicContact CE-CB 4.29Å; P476-A484 HydrophobicContact CG-CB 3.39Å; N482-A484 VanDerWaalsContact C-N 3.33Å; N482-A484 PolarHBondContact O-N 3.09Å; A484-E486 PolarHBondContact O-N 2.99Å; A484-I487 PolarHBondContact O-N 2.87Å; A484-A488 WeakPolarHBondContact O-CB 3.35Å; A484-A488 PolarHBondContact O-N 2.87Å
485	K	69.2	Low	69.2	Low	69 Å²	69	73.3 Å²	73.3	30%	0.3	36%	0.362	S	S	.	.	H	α-helix	trans	-64.2	-36.9	177.4	-73.2	164.9	175.1	162.4	0	112.3	Q475 S481 N482 S489	Q475-K485 VanDerWaalsContact OE1-NZ 3.09Å; S481-K485 WeakPolarHBondContact O-CD 3.39Å; S481-K485 WeakPolarHBondContact O-CG 3.44Å; S481-K485 PolarHBondContact O-N 3.06Å; S481-K485 PolarHBondContact OG-NZ 2.96Å; N482-K485 PolarHBondContact O-N 3.49Å; K485-S489 WeakPolarHBondContact O-CB 3.46Å; K485-S489 PolarHBondContact O-N 2.98Å; K485-S489 PolarHBondContact O-OG 3.44Å
486	E	74.3	Confident	71.2	Confident	144 Å²	144	69 Å²	69	67%	0.673	34%	0.342	S	S	*	.	H	α-helix	trans	-67	-42.8	172.7	-70.3	-175.2	172.6	0	0	112.6	N482 C483 A484 S489 K490	N482-E486 PolarHBondContact O-N 3.48Å; C483-E486 PolarHBondContact O-N 3.29Å; A484-E486 PolarHBondContact O-N 2.99Å; E486-S489 WeakPolarHBondContact O-CB 3.49Å; E486-S489 PolarHBondContact O-N 2.85Å; E486-K490 WeakPolarHBondContact O-CB 3.41Å; E486-K490 PolarHBondContact O-N 2.85Å
487	I	74.9	Confident	73.4	Confident	59 Å²	59	68.3 Å²	68.3	30%	0.303	34%	0.335	S	S	.	.	H	α-helix	trans	-64.3	-45.7	177	-66.9	165.8	0	0	0	110.9	C483 A484 S489 K490 H491	C483-I487 WeakPolarHBondContact O-CG1 3.49Å; C483-I487 PolarHBondContact O-N 3.18Å; C483-I487 VanDerWaalsContact O-N 3.13Å; A484-I487 PolarHBondContact O-N 2.87Å; I487-S489 VanDerWaalsContact C-N 3.3Å; I487-S489 PolarHBondContact O-N 3.49Å; I487-K490 WeakPolarHBondContact O-CB 3.43Å; I487-K490 PolarHBondContact O-N 3.19Å; I487-H491 PolarHBondContact O-CD2 2.99Å; I487-H491 VanDerWaalsContact O-CD2 3.24Å; I487-H491 PolarHBondContact O-N 3.37Å
488	A	80.2	Confident	76	Confident	3 Å²	3	61 Å²	61	3%	0.025	30%	0.296	C	S	.	.	H	α-helix	trans	-57.8	-43.9	174.5	0	0	0	0	0	111.4	Y470 F474 A484 H491 F492	Y470-A488 HydrophobicContact CE1-CB 3.9Å; F474-A488 HydrophobicContact CB-CB 3.96Å; F474-A488 HydrophobicContact CD1-CB 3.98Å; F474-A488 HydrophobicContact CG-CB 3.91Å; A484-A488 WeakPolarHBondContact O-CB 3.35Å; A484-A488 PolarHBondContact O-N 2.87Å; A488-H491 PolarHBondContact O-N 3.17Å; A488-F492 PolarHBondContact O-N 3.38Å
489	S	86.5	Confident	78.7	Confident	29 Å²	29	52.2 Å²	52.2	20%	0.203	26%	0.255	C	S	.	.	H	α-helix	trans	-63.7	-39.7	175.8	-59.8	0	0	0	0	113	K485 E486 I487 R493	K485-S489 WeakPolarHBondContact O-CB 3.46Å; K485-S489 PolarHBondContact O-N 2.98Å; K485-S489 PolarHBondContact O-OG 3.44Å; E486-S489 WeakPolarHBondContact O-CB 3.49Å; E486-S489 PolarHBondContact O-N 2.85Å; I487-S489 VanDerWaalsContact C-N 3.3Å; I487-S489 PolarHBondContact O-N 3.49Å; S489-R493 WeakPolarHBondContact O-CB 3.46Å; S489-R493 VanDerWaalsContact O-CG 3.29Å; S489-R493 WeakPolarHBondContact O-CG 3.44Å; S489-R493 PolarHBondContact O-N 3.34Å; S489-R493 VanDerWaalsContact O-N 3.08Å
490	K	86.4	Confident	81.2	Confident	67 Å²	67	45.8 Å²	45.8	29%	0.291	22%	0.22	S	C	.	.	H	α-helix	trans	-61.4	-46	173.5	178.1	-178.3	174.6	-174.1	0	111	E289 E486 I487 F494 Y544	E289-K490 IonicContact OE1-NZ 3.28Å; E289-K490 PolarHBondContact OE1-NZ 2.96Å; E289-K490 IonicContact OE2-NZ 2.7Å; E289-K490 PolarHBondContact OE2-NZ 3.5Å; E486-K490 WeakPolarHBondContact O-CB 3.41Å; E486-K490 PolarHBondContact O-N 2.85Å; I487-K490 WeakPolarHBondContact O-CB 3.43Å; I487-K490 PolarHBondContact O-N 3.19Å; K490-F494 HydrophobicContact CD-CE2 4.34Å; K490-F494 HydrophobicContact CG-CD2 4.3Å; K490-F494 HydrophobicContact CG-CE2 3.74Å; K490-F494 HydrophobicContact CG-CZ 4.06Å; K490-F494 WeakPolarHBondContact O-CG 3.32Å; K490-F494 PolarHBondContact O-N 2.61Å; K490-Y544 VanDerWaalsContact CE-OH 3.31Å; K490-Y544 WeakPolarHBondContact CE-OH 3.31Å; K490-Y544 PolarHBondContact NZ-OH 3.09Å
491	H	88.4	Confident	83.4	Confident	21 Å²	21	43.7 Å²	43.7	10%	0.097	21%	0.21	C	C	.	.	H	α-helix	trans	-64.3	-45.4	179.5	-72.6	-158.9	0	0	0	111.9	I487 A488 F494 A495 L537 V540 Y544	I487-H491 PolarHBondContact O-CD2 2.99Å; I487-H491 VanDerWaalsContact O-CD2 3.24Å; I487-H491 PolarHBondContact O-N 3.37Å; A488-H491 PolarHBondContact O-N 3.17Å; H491-F494 PolarHBondContact O-N 3.34Å; H491-A495 PolarHBondContact O-N 2.9Å; H491-L537 HydrophobicContact CB-CD1 4.45Å; H491-V540 HydrophobicContact CB-CG1 4.07Å; H491-Y544 AromaticContact CE1-CD2 3.96Å; H491-Y544 AromaticContact NE2-CD2 3.57Å; H491-Y544 AromaticContact NE2-CE2 3.94Å; H491-Y544 AromaticContact NE2-CG 3.78Å
492	F	93.3	Very high	85.3	Confident	4 Å²	4	42.7 Å²	42.7	2%	0.018	20%	0.203	C	C	.	.	H	α-helix	trans	-65.8	-40.9	179.8	-162.9	-79.5	0	0	0	112.2	L463 M466 F467 Y470 A488 F494 A495 E496 L533 L537 F557	L463-F492 WeakPolarHBondContact O-CZ 3.22Å; M466-F492 HydrophobicContact CB-CE2 4.37Å; M466-F492 HydrophobicContact CB-CZ 4.18Å; F467-F492 VanDerWaalsContact CA-CZ 3.5Å; F467-F492 HydrophobicContact CB-CD1 4.05Å; F467-F492 HydrophobicContact CB-CE1 3.63Å; F467-F492 HydrophobicContact CB-CE2 4.15Å; F467-F492 HydrophobicContact CB-CG 4.49Å; F467-F492 HydrophobicContact CB-CZ 3.66Å; F467-F492 HydrophobicContact CD2-CB 3.93Å; F467-F492 AromaticContact CD2-CD1 3.62Å; F467-F492 HydrophobicContact CD2-CD1 3.62Å; F467-F492 HydrophobicContact CD2-CD2 4.08Å; F467-F492 HydrophobicContact CD2-CE1 4.12Å; F467-F492 AromaticContact CD2-CG 3.6Å; F467-F492 HydrophobicContact CD2-CG 3.6Å; F467-F492 HydrophobicContact CE2-CB 4.22Å; F467-F492 HydrophobicContact CE2-CG 4.38Å; F467-F492 HydrophobicContact CG-CD1 4.2Å; F467-F492 HydrophobicContact CG-CE1 4.27Å; F467-F492 VanDerWaalsContact N-CZ 3.34Å; Y470-F492 HydrophobicContact CD1-CB 4.24Å; Y470-F492 AromaticContact CD1-CD2 3.79Å; Y470-F492 HydrophobicContact CD1-CD2 3.79Å; Y470-F492 HydrophobicContact CD1-CG 4.46Å; Y470-F492 HydrophobicContact CE1-CB 4.31Å; Y470-F492 HydrophobicContact CE1-CD2 4.44Å; Y470-F492 HydrophobicContact CG-CD2 4.04Å; A488-F492 PolarHBondContact O-N 3.38Å; F492-F494 VanDerWaalsContact C-N 3.32Å; F492-F494 PolarHBondContact O-N 3.02Å; F492-A495 CarbonylContact O-C 3.59Å; F492-A495 WeakPolarHBondContact O-CA 3.22Å; F492-A495 WeakPolarHBondContact O-CB 3.33Å; F492-A495 PolarHBondContact O-N 3.01Å; F492-E496 PolarHBondContact O-N 2.82Å; F492-L533 HydrophobicContact CE1-CD2 4.49Å; F492-L533 HydrophobicContact CE2-CD2 4.31Å; F492-L533 HydrophobicContact CZ-CD2 3.73Å; F492-L537 HydrophobicContact CD2-CD2 4.07Å; F492-L537 HydrophobicContact CE2-CD2 4.42Å; F492-F557 HydrophobicContact CE2-CZ 4.29Å
493	R	93.3	Very high	87	Confident	152 Å²	152	36.6 Å²	36.6	57%	0.574	17%	0.171	S	C	*	.	H	α-helix	trans	-58.7	-41.4	174.2	-74.8	172.1	-178.6	171.3	2.4	112.4	S489 A495 E496 M497	S489-R493 WeakPolarHBondContact O-CB 3.46Å; S489-R493 VanDerWaalsContact O-CG 3.29Å; S489-R493 WeakPolarHBondContact O-CG 3.44Å; S489-R493 PolarHBondContact O-N 3.34Å; S489-R493 VanDerWaalsContact O-N 3.08Å; R493-A495 VanDerWaalsContact C-N 3.34Å; R493-E496 PolarHBondContact O-N 3.34Å; R493-M497 VanDerWaalsContact O-CG 3.23Å; R493-M497 WeakPolarHBondContact O-CG 3.42Å; R493-M497 PolarHBondContact O-N 2.89Å
494	F	94.3	Very high	88.8	Confident	39 Å²	39	36.3 Å²	36.3	17%	0.171	17%	0.165	C	C	.	.	H	α-helix	trans	-67	-34.6	174.2	-67.6	-21.5	0	0	0	112.7	H430 L433 K490 H491 F492 M497 L498 V540 Y544	H430-F494 AromaticContact CE1-CE2 3.87Å; L433-F494 HydrophobicContact CD1-CB 3.71Å; L433-F494 HydrophobicContact CD1-CD1 3.92Å; L433-F494 HydrophobicContact CD1-CG 3.83Å; K490-F494 HydrophobicContact CD-CE2 4.34Å; K490-F494 HydrophobicContact CG-CD2 4.3Å; K490-F494 HydrophobicContact CG-CE2 3.74Å; K490-F494 HydrophobicContact CG-CZ 4.06Å; K490-F494 WeakPolarHBondContact O-CG 3.32Å; K490-F494 PolarHBondContact O-N 2.61Å; H491-F494 PolarHBondContact O-N 3.34Å; F492-F494 VanDerWaalsContact C-N 3.32Å; F492-F494 PolarHBondContact O-N 3.02Å; F494-M497 HydrophobicContact CD1-SD 4.03Å; F494-L498 VanDerWaalsContact O-CB 3.3Å; F494-L498 WeakPolarHBondContact O-CB 3.44Å; F494-L498 PolarHBondContact O-N 2.7Å; F494-V540 HydrophobicContact CB-CG1 4.13Å; F494-V540 HydrophobicContact CB-CG2 3.98Å; F494-Y544 HydrophobicContact CD2-CE2 4.31Å; F494-Y544 HydrophobicContact CE2-CE2 4.34Å
495	A	95.7	Very high	90.2	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-68.7	-37.7	173.9	0	0	0	0	0	112.3	H491 F492 R493 L498 Y499 C536 L537 V540	H491-A495 PolarHBondContact O-N 2.9Å; F492-A495 CarbonylContact O-C 3.59Å; F492-A495 WeakPolarHBondContact O-CA 3.22Å; F492-A495 WeakPolarHBondContact O-CB 3.33Å; F492-A495 PolarHBondContact O-N 3.01Å; R493-A495 VanDerWaalsContact C-N 3.34Å; A495-L498 PolarHBondContact O-N 3.4Å; A495-Y499 VanDerWaalsContact O-CB 3.22Å; A495-Y499 WeakPolarHBondContact O-CB 3.36Å; A495-Y499 PolarHBondContact O-N 3.45Å; A495-C536 HydrophobicContact CB-CB 4.18Å; A495-C536 WeakPolarHBondContact O-CB 3.42Å; A495-L537 HydrophobicContact CB-CB 3.84Å; A495-L537 HydrophobicContact CB-CD1 3.75Å; A495-L537 HydrophobicContact CB-CG 4.38Å; A495-V540 HydrophobicContact CB-CG2 4.32Å
496	E	96.1	Very high	91.3	Very high	31 Å²	31	35.8 Å²	35.8	15%	0.145	17%	0.168	C	C	.	.	H	α-helix	trans	-64.3	-47	173.9	175	169.3	-125.9	0	0	111.9	N438 L463 F492 R493 L498 Y499 Y500	N438-E496 HydrophobicContact CB-CG 4.08Å; N438-E496 WeakPolarHBondContact CB-OE2 3.2Å; N438-E496 PolarHBondContact ND2-OE2 2.76Å; L463-E496 HydrophobicContact CD2-CG 4.08Å; F492-E496 PolarHBondContact O-N 2.82Å; R493-E496 PolarHBondContact O-N 3.34Å; E496-L498 VanDerWaalsContact C-N 3.31Å; E496-L498 PolarHBondContact O-N 3.22Å; E496-Y499 PolarHBondContact O-N 2.81Å; E496-Y500 HydrophobicContact CG-CD2 3.96Å; E496-Y500 HydrophobicContact CG-CE2 3.61Å; E496-Y500 VanDerWaalsContact O-CD2 3.27Å; E496-Y500 WeakPolarHBondContact O-CD2 3.41Å; E496-Y500 PolarHBondContact O-N 3.02Å
497	M	96.1	Very high	92.1	Very high	29 Å²	29	29.1 Å²	29.1	14%	0.143	14%	0.137	C	C	.	.	H	α-helix	trans	-59.5	-41.1	173.8	-68.2	167	70.2	0	0	112.1	L433 L436 N438 R493 F494 K501	L433-M497 HydrophobicContact CB-CE 4.1Å; L433-M497 HydrophobicContact CD2-CB 3.81Å; L433-M497 WeakPolarHBondContact O-CE 3.24Å; L436-M497 HydrophobicContact CB-CE 3.88Å; N438-M497 HydrophobicContact CB-CG 3.82Å; R493-M497 VanDerWaalsContact O-CG 3.23Å; R493-M497 WeakPolarHBondContact O-CG 3.42Å; R493-M497 PolarHBondContact O-N 2.89Å; F494-M497 HydrophobicContact CD1-SD 4.03Å; M497-K501 WeakPolarHBondContact O-CB 3.35Å; M497-K501 PolarHBondContact O-N 3.26Å
498	L	96.1	Very high	92.8	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-69.4	-38.6	176.8	-171.4	55.2	0	0	0	111.8	L429 M432 L433 F494 A495 E496 K501 V502 C536 V539 V540 F571	L429-L498 HydrophobicContact CD1-CD2 4.39Å; M432-L498 HydrophobicContact CE-CD1 3.71Å; L433-L498 HydrophobicContact CD2-CB 4.09Å; F494-L498 VanDerWaalsContact O-CB 3.3Å; F494-L498 WeakPolarHBondContact O-CB 3.44Å; F494-L498 PolarHBondContact O-N 2.7Å; A495-L498 PolarHBondContact O-N 3.4Å; E496-L498 VanDerWaalsContact C-N 3.31Å; E496-L498 PolarHBondContact O-N 3.22Å; L498-K501 HydrophobicContact CD1-CD 4.46Å; L498-K501 PolarHBondContact O-N 3.32Å; L498-V502 HydrophobicContact CD1-CG2 4.08Å; L498-V502 HydrophobicContact CG-CG2 4.42Å; L498-V502 WeakPolarHBondContact O-CB 3.39Å; L498-V502 VanDerWaalsContact O-CG2 3.3Å; L498-V502 WeakPolarHBondContact O-CG2 3.32Å; L498-V502 PolarHBondContact O-N 3.25Å; L498-C536 HydrophobicContact CB-CB 4.26Å; L498-C536 HydrophobicContact CD2-CB 4.25Å; L498-C536 HydrophobicContact CG-CB 4.29Å; L498-V539 HydrophobicContact CD2-CB 4.36Å; L498-V539 HydrophobicContact CD2-CG1 3.98Å; L498-V540 HydrophobicContact CD2-CG2 4.45Å; L498-F571 HydrophobicContact CD2-CE2 4.49Å; L498-F571 HydrophobicContact CD2-CZ 4.07Å; L498-F571 HydrophobicContact CG-CE2 4.41Å; L498-F571 HydrophobicContact CG-CZ 4.34Å
499	Y	97.6	Very high	93.1	Very high	0 Å²	0	32 Å²	32	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-60.8	-51.7	177.6	165.2	-89.3	0	0	0	111.7	I459 L463 A495 E496 K501 V502 L503 H529 L532 L533 C536	I459-Y499 HydrophobicContact CG2-CE1 3.89Å; I459-Y499 WeakPolarHBondContact CG2-OH 2.97Å; L463-Y499 HydrophobicContact CD1-CD1 4.17Å; L463-Y499 HydrophobicContact CD1-CE1 3.68Å; L463-Y499 HydrophobicContact CD1-CE2 4.27Å; L463-Y499 HydrophobicContact CD2-CD1 3.66Å; L463-Y499 HydrophobicContact CD2-CE1 3.68Å; L463-Y499 HydrophobicContact CG-CD1 4.44Å; L463-Y499 HydrophobicContact CG-CE1 4.32Å; A495-Y499 VanDerWaalsContact O-CB 3.22Å; A495-Y499 WeakPolarHBondContact O-CB 3.36Å; A495-Y499 PolarHBondContact O-N 3.45Å; E496-Y499 PolarHBondContact O-N 2.81Å; Y499-K501 VanDerWaalsContact C-N 3.33Å; Y499-K501 PolarHBondContact O-N 3.09Å; Y499-V502 PolarHBondContact O-N 3.11Å; Y499-L503 HydrophobicContact CE1-CD2 4.02Å; Y499-L503 WeakPolarHBondContact O-CB 3.5Å; Y499-L503 PolarHBondContact O-N 3.44Å; Y499-H529 AromaticContact CE2-ND1 3.99Å; Y499-H529 AromaticContact CZ-ND1 3.77Å; Y499-H529 PolarHBondContact OH-ND1 3.32Å; Y499-L532 HydrophobicContact CD2-CB 4.2Å; Y499-L532 HydrophobicContact CD2-CD2 3.9Å; Y499-L532 HydrophobicContact CD2-CG 3.83Å; Y499-L532 HydrophobicContact CE2-CB 4.18Å; Y499-L532 HydrophobicContact CE2-CD2 3.86Å; Y499-L532 HydrophobicContact CE2-CG 4.11Å; Y499-L533 HydrophobicContact CD2-CB 3.98Å; Y499-L533 HydrophobicContact CD2-CD1 4.18Å; Y499-L533 HydrophobicContact CE2-CB 4.44Å; Y499-L533 HydrophobicContact CG-CD1 3.99Å; Y499-C536 VanDerWaalsContact CA-SG 3.53Å
500	Y	96.8	Very high	93.1	Very high	20 Å²	20	32.8 Å²	32.8	8%	0.078	15%	0.15	C	C	.	.	H	α-helix	trans	-63.5	-40.3	179.8	-73.6	-64.1	0	0	0	111.9	A439 P440 L444 I459 L463 E496 L503 E504	A439-Y500 VanDerWaalsContact C-CD2 3.48Å; P440-Y500 HydrophobicContact CB-CD1 4.08Å; P440-Y500 HydrophobicContact CB-CE1 4.23Å; P440-Y500 HydrophobicContact CG-CE1 4.42Å; L444-Y500 HydrophobicContact CD2-CD1 3.99Å; I459-Y500 HydrophobicContact CG2-CE1 4.11Å; L463-Y500 HydrophobicContact CD2-CE1 4.33Å; L463-Y500 HydrophobicContact CD2-CE2 3.74Å; L463-Y500 WeakPolarHBondContact CD2-OH 3.34Å; E496-Y500 HydrophobicContact CG-CD2 3.96Å; E496-Y500 HydrophobicContact CG-CE2 3.61Å; E496-Y500 VanDerWaalsContact O-CD2 3.27Å; E496-Y500 WeakPolarHBondContact O-CD2 3.41Å; E496-Y500 PolarHBondContact O-N 3.02Å; Y500-L503 PolarHBondContact O-N 3.35Å; Y500-E504 PolarHBondContact O-N 3Å
501	K	95.3	Very high	93.1	Very high	56 Å²	56	32.9 Å²	32.9	24%	0.243	15%	0.151	C	C	.	.	H	α-helix	trans	-58.1	-52.4	174.6	-173	-159.9	-176.3	75	0	111.9	M432 L436 M497 L498 Y499 E504 C505 E575	M432-K501 PolarHBondContact O-NZ 3.37Å; M432-K501 VanDerWaalsContact O-NZ 3.16Å; L436-K501 HydrophobicContact CD1-CB 3.97Å; L436-K501 HydrophobicContact CD1-CD 3.93Å; L436-K501 HydrophobicContact CD1-CG 4.08Å; M497-K501 WeakPolarHBondContact O-CB 3.35Å; M497-K501 PolarHBondContact O-N 3.26Å; L498-K501 HydrophobicContact CD1-CD 4.46Å; L498-K501 PolarHBondContact O-N 3.32Å; Y499-K501 VanDerWaalsContact C-N 3.33Å; Y499-K501 PolarHBondContact O-N 3.09Å; K501-E504 PolarHBondContact O-N 3.49Å; K501-C505 PolarHBondContact O-N 2.86Å; K501-C505 VanDerWaalsContact O-N 3.1Å; K501-C505 PolarHBondContact O-SG 2.73Å; K501-E575 WeakPolarHBondContact CD-OE2 3.25Å; K501-E575 WeakPolarHBondContact CE-OE2 3.39Å
502	V	95.8	Very high	93	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-69.4	-37	-177.5	173.8	0	0	0	0	111	L498 Y499 C505 V506 L532 F571 A574 E575	L498-V502 HydrophobicContact CD1-CG2 4.08Å; L498-V502 HydrophobicContact CG-CG2 4.42Å; L498-V502 WeakPolarHBondContact O-CB 3.39Å; L498-V502 VanDerWaalsContact O-CG2 3.3Å; L498-V502 WeakPolarHBondContact O-CG2 3.32Å; L498-V502 PolarHBondContact O-N 3.25Å; Y499-V502 PolarHBondContact O-N 3.11Å; V502-C505 PolarHBondContact O-N 3.46Å; V502-V506 HydrophobicContact CG1-CG2 4.22Å; V502-V506 VanDerWaalsContact O-CG2 3.28Å; V502-V506 WeakPolarHBondContact O-CG2 3.29Å; V502-V506 PolarHBondContact O-N 3.39Å; V502-L532 HydrophobicContact CG1-CD1 3.89Å; V502-F571 HydrophobicContact CB-CD2 4.48Å; V502-F571 HydrophobicContact CB-CE2 4.44Å; V502-F571 HydrophobicContact CG1-CD2 3.84Å; V502-F571 HydrophobicContact CG1-CE2 4.28Å; V502-F571 HydrophobicContact CG2-CD2 4.22Å; V502-F571 HydrophobicContact CG2-CE2 3.84Å; V502-F571 HydrophobicContact CG2-CZ 4.44Å; V502-A574 HydrophobicContact CG1-CB 3.83Å; V502-E575 HydrophobicContact CG2-CB 4.35Å
503	L	95.6	Very high	92.5	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-59.9	-46	174.2	-179.5	61.8	0	0	0	111.5	L444 I459 Y499 Y500 C505 V506 I507 L523 F528 H529 L532	L444-L503 HydrophobicContact CD2-CD2 4.48Å; I459-L503 HydrophobicContact CD1-CD2 4.27Å; Y499-L503 HydrophobicContact CE1-CD2 4.02Å; Y499-L503 WeakPolarHBondContact O-CB 3.5Å; Y499-L503 PolarHBondContact O-N 3.44Å; Y500-L503 PolarHBondContact O-N 3.35Å; L503-C505 PolarHBondContact O-N 2.93Å; L503-V506 PolarHBondContact O-N 2.92Å; L503-I507 HydrophobicContact CD1-CD1 3.9Å; L503-I507 HydrophobicContact CD1-CG1 4.28Å; L503-I507 HydrophobicContact CG-CD1 3.83Å; L503-I507 WeakPolarHBondContact O-CB 3.42Å; L503-I507 VanDerWaalsContact O-CG1 3.26Å; L503-I507 WeakPolarHBondContact O-CG1 3.45Å; L503-I507 PolarHBondContact O-N 3.41Å; L503-L523 HydrophobicContact CD1-CD2 4.1Å; L503-F528 HydrophobicContact CD1-CE1 3.94Å; L503-F528 HydrophobicContact CD1-CZ 4.31Å; L503-H529 WeakPolarHBondContact CD1-CE1 3.3Å; L503-L532 HydrophobicContact CB-CD2 4.24Å; L503-L532 HydrophobicContact CD1-CD2 4.35Å
504	E	94.7	Very high	91.8	Very high	33 Å²	33	40.8 Å²	40.8	15%	0.154	19%	0.188	C	C	.	.	H	α-helix	trans	-59.3	-45.9	174.2	-169	-179.9	152.4	0	0	111.3	S441 K443 L444 Y500 K501 V506 I507 E508	S441-E504 WeakPolarHBondContact CB-OE2 3.49Å; S441-E504 PolarHBondContact OG-OE2 2.87Å; K443-E504 IonicContact NZ-OE1 2.72Å; K443-E504 PolarHBondContact NZ-OE1 3.12Å; L444-E504 HydrophobicContact CB-CB 4.46Å; L444-E504 HydrophobicContact CB-CG 4.3Å; L444-E504 HydrophobicContact CD1-CB 4.34Å; L444-E504 HydrophobicContact CD2-CB 4.34Å; Y500-E504 PolarHBondContact O-N 3Å; K501-E504 PolarHBondContact O-N 3.49Å; E504-V506 PolarHBondContact O-N 3.21Å; E504-I507 PolarHBondContact O-N 3.07Å; E504-E508 WeakPolarHBondContact O-CB 3.34Å; E504-E508 PolarHBondContact O-N 3.48Å
505	C	92.9	Very high	91.1	Very high	38 Å²	38	40.7 Å²	40.7	26%	0.257	20%	0.198	S	C	.	.	H	α-helix	trans	-64.4	-36.7	178	-65.3	0	0	0	0	113.4	K501 V502 L503 Q509 A574	K501-C505 PolarHBondContact O-N 2.86Å; K501-C505 VanDerWaalsContact O-N 3.1Å; K501-C505 PolarHBondContact O-SG 2.73Å; V502-C505 PolarHBondContact O-N 3.46Å; L503-C505 PolarHBondContact O-N 2.93Å; C505-Q509 WeakPolarHBondContact O-CG 3.36Å; C505-Q509 PolarHBondContact O-N 3.08Å; C505-Q509 VanDerWaalsContact O-N 3.08Å; C505-A574 HydrophobicContact CB-CB 4.2Å
506	V	92.2	Very high	90.1	Very high	26 Å²	26	49.4 Å²	49.4	16%	0.158	24%	0.244	C	C	.	.	H	α-helix	trans	-67	-46.8	174.7	169.7	0	0	0	0	110.9	V502 L503 E504 E508 Q509 E510 F528 V570 A574	V502-V506 HydrophobicContact CG1-CG2 4.22Å; V502-V506 VanDerWaalsContact O-CG2 3.28Å; V502-V506 WeakPolarHBondContact O-CG2 3.29Å; V502-V506 PolarHBondContact O-N 3.39Å; L503-V506 PolarHBondContact O-N 2.92Å; E504-V506 PolarHBondContact O-N 3.21Å; V506-E508 PolarHBondContact O-N 3.05Å; V506-Q509 PolarHBondContact O-N 3.18Å; V506-E510 WeakPolarHBondContact O-CB 3.2Å; V506-E510 PolarHBondContact O-N 3.38Å; V506-F528 HydrophobicContact CG1-CZ 4.28Å; V506-V570 HydrophobicContact CB-CG1 4.5Å; V506-V570 HydrophobicContact CG1-CG1 4.08Å; V506-V570 HydrophobicContact CG2-CG1 3.51Å; V506-A574 HydrophobicContact CG2-CB 3.67Å
507	I	91.1	Very high	89.3	Confident	5 Å²	5	52.7 Å²	52.7	3%	0.026	26%	0.261	C	S	.	.	H	α-helix	trans	-59.8	-46.5	177.4	-72.2	167	0	0	0	110.4	L444 I447 L448 L503 E504 Q509 E510 Q511 L519 L523	L444-I507 HydrophobicContact CD1-CD1 3.65Å; I447-I507 HydrophobicContact CD1-CG2 4.43Å; I447-I507 HydrophobicContact CG2-CG2 3.62Å; L448-I507 HydrophobicContact CD2-CD1 4.08Å; L503-I507 HydrophobicContact CD1-CD1 3.9Å; L503-I507 HydrophobicContact CD1-CG1 4.28Å; L503-I507 HydrophobicContact CG-CD1 3.83Å; L503-I507 WeakPolarHBondContact O-CB 3.42Å; L503-I507 VanDerWaalsContact O-CG1 3.26Å; L503-I507 WeakPolarHBondContact O-CG1 3.45Å; L503-I507 PolarHBondContact O-N 3.41Å; E504-I507 PolarHBondContact O-N 3.07Å; I507-Q509 PolarHBondContact O-N 2.98Å; I507-E510 PolarHBondContact O-N 3.3Å; I507-E510 VanDerWaalsContact O-N 3.16Å; I507-Q511 HydrophobicContact CG2-CG 4.39Å; I507-Q511 WeakPolarHBondContact O-CG 3.22Å; I507-Q511 PolarHBondContact O-N 2.72Å; I507-L519 HydrophobicContact CG2-CD1 3.91Å; I507-L523 HydrophobicContact CD1-CD1 4.19Å; I507-L523 HydrophobicContact CD1-CD2 3.77Å; I507-L523 HydrophobicContact CG1-CD2 3.97Å
508	E	89.8	Confident	88.7	Confident	50 Å²	50	55.1 Å²	55.1	23%	0.234	28%	0.275	C	S	.	.	H	α-helix	trans	-57.7	-44.3	174.9	-90.7	-161.5	-133.5	0	0	113.1	K443 E504 V506 E510 K512	K443-E508 IonicContact NZ-OE1 3.9Å; K443-E508 PolarHBondContact NZ-OE1 3.38Å; E504-E508 WeakPolarHBondContact O-CB 3.34Å; E504-E508 PolarHBondContact O-N 3.48Å; V506-E508 PolarHBondContact O-N 3.05Å; E508-E510 VanDerWaalsContact C-N 3.29Å; E508-E510 PolarHBondContact O-N 3.29Å; E508-K512 WeakPolarHBondContact O-CB 3.45Å; E508-K512 WeakPolarHBondContact O-CD 3.35Å; E508-K512 WeakPolarHBondContact O-CE 3.43Å; E508-K512 WeakPolarHBondContact O-CG 3.34Å; E508-K512 PolarHBondContact O-N 2.86Å; E508-K512 VanDerWaalsContact O-N 3.11Å; E508-K512 IonicContact OE2-NZ 3.63Å; E508-K512 PolarHBondContact OE2-NZ 3.26Å
509	Q	87.9	Confident	88.1	Confident	71 Å²	71	55.6 Å²	55.6	33%	0.332	28%	0.277	S	S	.	.	H	α-helix	trans	-65.4	-35.2	178	-75.7	-172.4	30.5	0	0	111.6	C505 V506 I507 R513 R573	C505-Q509 WeakPolarHBondContact O-CG 3.36Å; C505-Q509 PolarHBondContact O-N 3.08Å; C505-Q509 VanDerWaalsContact O-N 3.08Å; V506-Q509 PolarHBondContact O-N 3.18Å; I507-Q509 PolarHBondContact O-N 2.98Å; Q509-R513 WeakPolarHBondContact O-CB 3.21Å; Q509-R513 PolarHBondContact O-N 2.6Å; Q509-R573 PolarHBondContact NE2-O 3.15Å
510	E	85.6	Confident	87.5	Confident	47 Å²	47	55.7 Å²	55.7	22%	0.22	28%	0.278	C	S	.	.	H	α-helix	trans	-77.1	-40.3	-178.9	-165.9	70.4	163.7	0	0	112.4	V506 I507 E508 K512 R513 L514 L519 I522	V506-E510 WeakPolarHBondContact O-CB 3.2Å; V506-E510 PolarHBondContact O-N 3.38Å; I507-E510 PolarHBondContact O-N 3.3Å; I507-E510 VanDerWaalsContact O-N 3.16Å; E508-E510 VanDerWaalsContact C-N 3.29Å; E508-E510 PolarHBondContact O-N 3.29Å; E510-K512 VanDerWaalsContact C-N 3.33Å; E510-K512 PolarHBondContact O-N 2.99Å; E510-R513 VanDerWaalsContact CD-NH2 3.32Å; E510-R513 CarbonylContact O-C 3.42Å; E510-R513 WeakPolarHBondContact O-CA 3.47Å; E510-R513 WeakPolarHBondContact O-CB 3.49Å; E510-R513 PolarHBondContact O-N 2.62Å; E510-R513 IonicContact OE1-CZ 2.6Å; E510-R513 IonicContact OE1-NE 2.7Å; E510-R513 IonicContact OE1-NH2 2.74Å; E510-R513 PolarHBondContact OE1-NH2 3.41Å; E510-R513 IonicContact OE2-CZ 3.94Å; E510-R513 IonicContact OE2-NE 3.86Å; E510-R513 PolarHBondContact OE2-NE 2.57Å; E510-R513 IonicContact OE2-NH2 2.62Å; E510-R513 PolarHBondContact OE2-NH2 3.28Å; E510-L514 HydrophobicContact CG-CD1 3.89Å; E510-L514 HydrophobicContact CG-CG 4.36Å; E510-L514 PolarHBondContact O-N 3.22Å; E510-L519 HydrophobicContact CG-CD2 4.12Å; E510-I522 HydrophobicContact CG-CD1 4.3Å
511	Q	86.3	Confident	86.9	Confident	69 Å²	69	56.9 Å²	56.9	32%	0.322	30%	0.296	S	S	.	.	H	α-helix	trans	-57.6	-45.3	169.5	-72.2	-179.5	-31.7	0	0	111.1	I507 R513 L514 G515 L519	I507-Q511 HydrophobicContact CG2-CG 4.39Å; I507-Q511 WeakPolarHBondContact O-CG 3.22Å; I507-Q511 PolarHBondContact O-N 2.72Å; Q511-R513 PolarHBondContact O-N 2.74Å; Q511-R513 VanDerWaalsContact O-N 3.16Å; Q511-L514 PolarHBondContact O-N 3.35Å; Q511-G515 WeakPolarHBondContact O-CA 3.21Å; Q511-G515 PolarHBondContact O-N 2.83Å; Q511-L519 HydrophobicContact CG-CD1 3.83Å
512	K	86.6	Confident	86.2	Confident	153 Å²	153	57.6 Å²	57.6	67%	0.665	30%	0.302	S	S	*	.	H	α-helix	trans	-64	-17.3	174.9	-68.8	163	-162.6	167.5	0	113.6	E508 E510	E508-K512 WeakPolarHBondContact O-CB 3.45Å; E508-K512 WeakPolarHBondContact O-CD 3.35Å; E508-K512 WeakPolarHBondContact O-CE 3.43Å; E508-K512 WeakPolarHBondContact O-CG 3.34Å; E508-K512 PolarHBondContact O-N 2.86Å; E508-K512 VanDerWaalsContact O-N 3.11Å; E508-K512 IonicContact OE2-NZ 3.63Å; E508-K512 PolarHBondContact OE2-NZ 3.26Å; E510-K512 VanDerWaalsContact C-N 3.33Å; E510-K512 PolarHBondContact O-N 2.99Å
513	R	83.5	Confident	85.8	Confident	136 Å²	136	57.8 Å²	57.8	51%	0.513	30%	0.303	S	S	.	.	H	α-helix	trans	-98	-34.1	-179.6	-166.3	-172.1	68.7	73.4	-7.3	113.3	Q509 E510 Q511	Q509-R513 WeakPolarHBondContact O-CB 3.21Å; Q509-R513 PolarHBondContact O-N 2.6Å; E510-R513 VanDerWaalsContact CD-NH2 3.32Å; E510-R513 CarbonylContact O-C 3.42Å; E510-R513 WeakPolarHBondContact O-CA 3.47Å; E510-R513 WeakPolarHBondContact O-CB 3.49Å; E510-R513 PolarHBondContact O-N 2.62Å; E510-R513 IonicContact OE1-CZ 2.6Å; E510-R513 IonicContact OE1-NE 2.7Å; E510-R513 IonicContact OE1-NH2 2.74Å; E510-R513 PolarHBondContact OE1-NH2 3.41Å; E510-R513 IonicContact OE2-CZ 3.94Å; E510-R513 IonicContact OE2-NE 3.86Å; E510-R513 PolarHBondContact OE2-NE 2.57Å; E510-R513 IonicContact OE2-NH2 2.62Å; E510-R513 PolarHBondContact OE2-NH2 3.28Å; Q511-R513 PolarHBondContact O-N 2.74Å; Q511-R513 VanDerWaalsContact O-N 3.16Å
514	L	78.8	Confident	85.5	Confident	54 Å²	54	61.7 Å²	61.7	28%	0.283	32%	0.321	S	S	.	.	H	α-helix	trans	-101.7	-22.4	-176.2	-67.5	-179.1	0	0	0	113.8	E510 Q511 M517 L519	E510-L514 HydrophobicContact CG-CD1 3.89Å; E510-L514 HydrophobicContact CG-CG 4.36Å; E510-L514 PolarHBondContact O-N 3.22Å; Q511-L514 PolarHBondContact O-N 3.35Å; L514-M517 HydrophobicContact CB-CB 4.06Å; L514-M517 HydrophobicContact CB-CG 4.15Å; L514-M517 HydrophobicContact CB-SD 4.07Å; L514-M517 HydrophobicContact CD1-CB 4.46Å; L514-M517 HydrophobicContact CD1-SD 4.49Å; L514-M517 HydrophobicContact CD2-SD 4.04Å; L514-M517 HydrophobicContact CG-SD 4.44Å; L514-L519 HydrophobicContact CD1-CD2 4.22Å
515	G	79.7	Confident	85.3	Confident	37 Å²	37	64.3 Å²	64.3	38%	0.381	33%	0.333	S	S	.	.	S	Bend	trans	75.6	-150.1	-165.6	0	0	0	0	0	111.2	Q511 M517	Q511-G515 WeakPolarHBondContact O-CA 3.21Å; Q511-G515 PolarHBondContact O-N 2.83Å; G515-M517 PolarHBondContact O-N 3.15Å
516	D	73.9	Confident	85.2	Confident	182 Å²	182	65.5 Å²	65.5	97%	0.973	34%	0.337	S	S	*	.	S	Bend	trans	-75.8	40.8	-174.2	-48	-42.6	0	0	0	113.5
517	M	80.3	Confident	85.1	Confident	101 Å²	101	66.2 Å²	66.2	50%	0.498	35%	0.345	S	S	.	.			trans	-85	136.4	173.5	-67.2	-167.7	66	0	0	110.9	L514 G515	L514-M517 HydrophobicContact CB-CB 4.06Å; L514-M517 HydrophobicContact CB-CG 4.15Å; L514-M517 HydrophobicContact CB-SD 4.07Å; L514-M517 HydrophobicContact CD1-CB 4.46Å; L514-M517 HydrophobicContact CD1-SD 4.49Å; L514-M517 HydrophobicContact CD2-SD 4.04Å; L514-M517 HydrophobicContact CG-SD 4.44Å; G515-M517 PolarHBondContact O-N 3.15Å
518	D	81.9	Confident	85.3	Confident	80 Å²	80	67.7 Å²	67.7	43%	0.428	35%	0.352	S	S	.	.			trans	-59.8	138.3	173	176.4	39.3	0	0	0	112	C451 S452 S520	C451-D518 WeakPolarHBondContact CA-OD1 3.24Å; S452-D518 VanDerWaalsContact CB-OD2 3.25Å; S452-D518 WeakPolarHBondContact CB-OD2 3.36Å; S452-D518 PolarHBondContact N-OD1 3.1Å; S452-D518 PolarHBondContact OG-OD2 3.34Å; D518-S520 PolarHBondContact OD1-N 2.91Å; D518-S520 PolarHBondContact OD1-OG 3.3Å
519	L	84.4	Confident	85.5	Confident	10 Å²	10	65.3 Å²	65.3	5%	0.052	34%	0.341	C	S	.	.			trans	-106.6	-3	-175.5	-62.4	-178	0	0	0	113.7	I507 E510 Q511 L514 G521 I522 L523	I507-L519 HydrophobicContact CG2-CD1 3.91Å; E510-L519 HydrophobicContact CG-CD2 4.12Å; Q511-L519 HydrophobicContact CG-CD1 3.83Å; L514-L519 HydrophobicContact CD1-CD2 4.22Å; L519-G521 VanDerWaalsContact C-N 3.26Å; L519-G521 PolarHBondContact O-N 2.92Å; L519-I522 HydrophobicContact CD2-CD1 4.29Å; L519-I522 PolarHBondContact O-N 3.1Å; L519-L523 HydrophobicContact CB-CD1 3.88Å; L519-L523 HydrophobicContact CB-CG 4.28Å; L519-L523 PolarHBondContact O-N 3.4Å
520	S	85.4	Confident	85.9	Confident	2 Å²	2	64.3 Å²	64.3	1%	0.014	33%	0.334	C	S	.	.	H	α-helix	trans	-49.3	-45.3	179.3	-72.6	0	0	0	0	112.7	C451 S452 R453 D518 I522 L523 E524	C451-S520 VanDerWaalsContact CB-OG 3.3Å; C451-S520 WeakPolarHBondContact CB-OG 3.47Å; S452-S520 PolarHBondContact N-OG 2.71Å; R453-S520 PolarHBondContact N-OG 3.33Å; R453-S520 PolarHBondContact O-OG 3.42Å; D518-S520 PolarHBondContact OD1-N 2.91Å; D518-S520 PolarHBondContact OD1-OG 3.3Å; S520-I522 PolarHBondContact O-N 3.04Å; S520-L523 CarbonylContact O-C 3.56Å; S520-L523 PolarHBondContact O-N 3.2Å; S520-E524 WeakPolarHBondContact O-CB 3.35Å; S520-E524 VanDerWaalsContact O-CG 3.29Å; S520-E524 WeakPolarHBondContact O-CG 3.46Å; S520-E524 PolarHBondContact O-N 3.21Å
521	G	82.4	Confident	86.4	Confident	44 Å²	44	62.1 Å²	62.1	45%	0.454	32%	0.323	S	S	.	.	H	α-helix	trans	-62.3	-17.1	-179.9	0	0	0	0	0	115.6	L519 Q525	L519-G521 VanDerWaalsContact C-N 3.26Å; L519-G521 PolarHBondContact O-N 2.92Å; G521-Q525 WeakPolarHBondContact O-CG 3.36Å; G521-Q525 PolarHBondContact O-NE2 3.46Å
522	I	81.3	Confident	86.9	Confident	72 Å²	72	58.8 Å²	58.8	37%	0.369	31%	0.308	S	S	.	.	H	α-helix	trans	-94.4	-42	171	-58.8	177.5	0	0	0	110.1	E510 L519 S520 E524 Q525	E510-I522 HydrophobicContact CG-CD1 4.3Å; L519-I522 HydrophobicContact CD2-CD1 4.29Å; L519-I522 PolarHBondContact O-N 3.1Å; S520-I522 PolarHBondContact O-N 3.04Å; I522-E524 VanDerWaalsContact C-N 3.33Å; I522-E524 PolarHBondContact O-N 3.06Å; I522-Q525 VanDerWaalsContact O-CB 3.31Å; I522-Q525 WeakPolarHBondContact O-CB 3.18Å; I522-Q525 VanDerWaalsContact O-CG 3.29Å; I522-Q525 WeakPolarHBondContact O-CG 3.31Å; I522-Q525 PolarHBondContact O-N 3.43Å
523	L	88.6	Confident	87.4	Confident	4 Å²	4	51.5 Å²	51.5	2%	0.021	28%	0.276	C	S	.	.	H	α-helix	trans	-78	-12.9	-175.2	-62.1	173.1	0	0	0	114.2	L448 P455 L503 I507 L519 S520 Q525 H529	L448-L523 HydrophobicContact CD2-CD1 3.87Å; P455-L523 HydrophobicContact CB-CB 4.13Å; P455-L523 HydrophobicContact CG-CB 3.92Å; P455-L523 HydrophobicContact CG-CD1 4.32Å; L503-L523 HydrophobicContact CD1-CD2 4.1Å; I507-L523 HydrophobicContact CD1-CD1 4.19Å; I507-L523 HydrophobicContact CD1-CD2 3.77Å; I507-L523 HydrophobicContact CG1-CD2 3.97Å; L519-L523 HydrophobicContact CB-CD1 3.88Å; L519-L523 HydrophobicContact CB-CG 4.28Å; L519-L523 PolarHBondContact O-N 3.4Å; S520-L523 CarbonylContact O-C 3.56Å; S520-L523 PolarHBondContact O-N 3.2Å; L523-Q525 VanDerWaalsContact C-N 3.34Å; L523-H529 WeakPolarHBondContact CA-NE2 3.42Å; L523-H529 PolarHBondContact O-CD2 3.21Å; L523-H529 CovalentContact O-NE2 1.81Å; L523-H529 PolarHBondContact O-NE2 3.06Å
524	E	88.8	Confident	88	Confident	82 Å²	82	45 Å²	45	38%	0.383	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.8	-14.3	167.9	-72.3	176.7	140.2	0	0	113.1	R453 S520 I522 D526	R453-E524 WeakPolarHBondContact CD-OE1 3.42Å; R453-E524 IonicContact CZ-OE1 2.74Å; R453-E524 IonicContact CZ-OE2 2.74Å; R453-E524 IonicContact NE-OE1 2.67Å; R453-E524 VanDerWaalsContact NH1-CD 3.25Å; R453-E524 IonicContact NH1-OE1 2.67Å; R453-E524 PolarHBondContact NH1-OE1 3.02Å; R453-E524 IonicContact NH1-OE2 3.75Å; R453-E524 PolarHBondContact NH1-OE2 3.42Å; S520-E524 WeakPolarHBondContact O-CB 3.35Å; S520-E524 VanDerWaalsContact O-CG 3.29Å; S520-E524 WeakPolarHBondContact O-CG 3.46Å; S520-E524 PolarHBondContact O-N 3.21Å; I522-E524 VanDerWaalsContact C-N 3.33Å; I522-E524 PolarHBondContact O-N 3.06Å; E524-D526 PolarHBondContact O-N 2.99Å
525	Q	90.1	Very high	88.9	Confident	88 Å²	88	42.5 Å²	42.5	41%	0.411	24%	0.239	S	C	.	.			trans	-72.2	101.9	-169.7	-60.8	-62.7	-34.6	0	0	112.6	G521 I522 L523 A527 F528 H529	G521-Q525 WeakPolarHBondContact O-CG 3.36Å; G521-Q525 PolarHBondContact O-NE2 3.46Å; I522-Q525 VanDerWaalsContact O-CB 3.31Å; I522-Q525 WeakPolarHBondContact O-CB 3.18Å; I522-Q525 VanDerWaalsContact O-CG 3.29Å; I522-Q525 WeakPolarHBondContact O-CG 3.31Å; I522-Q525 PolarHBondContact O-N 3.43Å; L523-Q525 VanDerWaalsContact C-N 3.34Å; Q525-A527 PolarHBondContact O-N 3.41Å; Q525-F528 HydrophobicContact CB-CB 3.99Å; Q525-F528 WeakPolarHBondContact O-CB 3.22Å; Q525-F528 PolarHBondContact O-N 3.02Å; Q525-F528 VanDerWaalsContact O-N 3.08Å; Q525-H529 PolarHBondContact O-CD2 3.02Å; Q525-H529 PolarHBondContact O-N 3.1Å
526	D	90.9	Very high	89.7	Confident	62 Å²	62	40.7 Å²	40.7	33%	0.332	22%	0.22	S	C	.	.	H	α-helix	trans	-55.2	-49.2	-177.1	-168.8	82	0	0	0	113.4	R462 E524 F528 H529 R530	R462-D526 IonicContact CZ-OD1 2.8Å; R462-D526 IonicContact NE-OD1 2.72Å; R462-D526 PolarHBondContact NE-OD1 3.32Å; R462-D526 IonicContact NH2-OD1 2.73Å; R462-D526 PolarHBondContact NH2-OD1 3.47Å; E524-D526 PolarHBondContact O-N 2.99Å; D526-F528 PolarHBondContact O-N 3.14Å; D526-H529 PolarHBondContact O-N 2.77Å; D526-H529 VanDerWaalsContact O-N 3.1Å; D526-R530 PolarHBondContact O-N 3.07Å; D526-R530 IonicContact OD1-NE 3.8Å; D526-R530 WeakPolarHBondContact OD2-CD 3.49Å; D526-R530 IonicContact OD2-CZ 2.76Å; D526-R530 IonicContact OD2-NE 3.15Å; D526-R530 PolarHBondContact OD2-NE 2.87Å; D526-R530 IonicContact OD2-NH2 2.69Å
527	A	90.8	Very high	90.6	Very high	41 Å²	41	32 Å²	32	34%	0.339	17%	0.174	S	C	.	.	H	α-helix	trans	-63.5	-23.8	179.8	0	0	0	0	0	113.9	Q525 S531	Q525-A527 PolarHBondContact O-N 3.41Å; A527-S531 WeakPolarHBondContact O-CB 3.23Å; A527-S531 PolarHBondContact O-N 3.38Å; A527-S531 PolarHBondContact O-OG 3.08Å
528	F	93.9	Very high	91.3	Very high	37 Å²	37	27.3 Å²	27.3	16%	0.162	15%	0.151	C	C	.	.	H	α-helix	trans	-71.2	-49.8	172	164.5	-109.8	0	0	0	110.3	L503 V506 Q525 D526 S531 L532 V567	L503-F528 HydrophobicContact CD1-CE1 3.94Å; L503-F528 HydrophobicContact CD1-CZ 4.31Å; V506-F528 HydrophobicContact CG1-CZ 4.28Å; Q525-F528 HydrophobicContact CB-CB 3.99Å; Q525-F528 WeakPolarHBondContact O-CB 3.22Å; Q525-F528 PolarHBondContact O-N 3.02Å; Q525-F528 VanDerWaalsContact O-N 3.08Å; D526-F528 PolarHBondContact O-N 3.14Å; F528-S531 PolarHBondContact O-N 3.3Å; F528-L532 HydrophobicContact CE1-CD2 4.42Å; F528-L532 HydrophobicContact CE2-CD2 4.49Å; F528-L532 HydrophobicContact CZ-CD2 3.97Å; F528-L532 WeakPolarHBondContact O-CB 3.44Å; F528-L532 PolarHBondContact O-N 2.7Å; F528-V567 HydrophobicContact CD2-CG2 4.1Å
529	H	95.2	Very high	91.8	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-67.3	-42.9	-178.4	-68.3	-64.7	0	0	0	113.2	I459 R462 Y499 L503 L523 Q525 D526 S531 L532 L533	I459-H529 VanDerWaalsContact CD1-CE1 3.49Å; I459-H529 WeakPolarHBondContact CD1-CE1 3.3Å; R462-H529 PolarHBondContact NH1-CD2 3.16Å; R462-H529 VanDerWaalsContact NH1-CD2 3.32Å; Y499-H529 AromaticContact CE2-ND1 3.99Å; Y499-H529 AromaticContact CZ-ND1 3.77Å; Y499-H529 PolarHBondContact OH-ND1 3.32Å; L503-H529 WeakPolarHBondContact CD1-CE1 3.3Å; L523-H529 WeakPolarHBondContact CA-NE2 3.42Å; L523-H529 PolarHBondContact O-CD2 3.21Å; L523-H529 CovalentContact O-NE2 1.81Å; L523-H529 PolarHBondContact O-NE2 3.06Å; Q525-H529 PolarHBondContact O-CD2 3.02Å; Q525-H529 PolarHBondContact O-N 3.1Å; D526-H529 PolarHBondContact O-N 2.77Å; D526-H529 VanDerWaalsContact O-N 3.1Å; H529-S531 VanDerWaalsContact C-N 3.34Å; H529-S531 PolarHBondContact O-N 3.19Å; H529-L532 PolarHBondContact O-N 2.78Å; H529-L533 PolarHBondContact O-N 3.31Å
530	R	95.6	Very high	92.2	Very high	49 Å²	49	23.1 Å²	23.1	19%	0.185	13%	0.128	C	C	.	.	H	α-helix	trans	-59.7	-45.2	173.5	-65.1	-166.2	-171.9	-108.4	-17	111.3	E465 M466 D526 L532 A534 V559	E465-R530 VanDerWaalsContact CD-NH2 3.28Å; E465-R530 IonicContact OE1-CZ 3.9Å; E465-R530 IonicContact OE1-NH1 2.76Å; E465-R530 PolarHBondContact OE1-NH1 2.99Å; E465-R530 IonicContact OE1-NH2 4Å; E465-R530 PolarHBondContact OE1-NH2 3.16Å; E465-R530 IonicContact OE2-CZ 3.99Å; E465-R530 IonicContact OE2-NH2 2.74Å; E465-R530 PolarHBondContact OE2-NH2 3.41Å; M466-R530 HydrophobicContact CE-CB 4.19Å; M466-R530 HydrophobicContact CE-CG 4.45Å; M466-R530 HydrophobicContact SD-CB 4.18Å; M466-R530 HydrophobicContact SD-CG 3.9Å; D526-R530 PolarHBondContact O-N 3.07Å; D526-R530 IonicContact OD1-NE 3.8Å; D526-R530 WeakPolarHBondContact OD2-CD 3.49Å; D526-R530 IonicContact OD2-CZ 2.76Å; D526-R530 IonicContact OD2-NE 3.15Å; D526-R530 PolarHBondContact OD2-NE 2.87Å; D526-R530 IonicContact OD2-NH2 2.69Å; R530-L532 VanDerWaalsContact C-N 3.35Å; R530-L532 PolarHBondContact O-N 3.04Å; R530-A534 WeakPolarHBondContact O-CB 3.3Å; R530-A534 PolarHBondContact O-N 2.91Å; R530-V559 HydrophobicContact CB-CG2 3.8Å
531	S	96.8	Very high	92.3	Very high	1 Å²	1	23.8 Å²	23.8	1%	0.007	13%	0.133	C	C	.	.	H	α-helix	trans	-63.6	-38.1	176.9	-62	0	0	0	0	112.6	A527 F528 H529 C535 V559	A527-S531 WeakPolarHBondContact O-CB 3.23Å; A527-S531 PolarHBondContact O-N 3.38Å; A527-S531 PolarHBondContact O-OG 3.08Å; F528-S531 PolarHBondContact O-N 3.3Å; H529-S531 VanDerWaalsContact C-N 3.34Å; H529-S531 PolarHBondContact O-N 3.19Å; S531-C535 VanDerWaalsContact O-CB 3.28Å; S531-C535 WeakPolarHBondContact O-CB 3.29Å; S531-C535 PolarHBondContact O-N 3.39Å; S531-V559 WeakPolarHBondContact OG-CG1 3.34Å
532	L	96.9	Very high	92.5	Very high	0 Å²	0	22 Å²	22	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-69.2	-46	179.4	-175	61.3	0	0	0	111.9	Y499 V502 L503 F528 H529 R530 C535 C536 V567 F571	Y499-L532 HydrophobicContact CD2-CB 4.2Å; Y499-L532 HydrophobicContact CD2-CD2 3.9Å; Y499-L532 HydrophobicContact CD2-CG 3.83Å; Y499-L532 HydrophobicContact CE2-CB 4.18Å; Y499-L532 HydrophobicContact CE2-CD2 3.86Å; Y499-L532 HydrophobicContact CE2-CG 4.11Å; V502-L532 HydrophobicContact CG1-CD1 3.89Å; L503-L532 HydrophobicContact CB-CD2 4.24Å; L503-L532 HydrophobicContact CD1-CD2 4.35Å; F528-L532 HydrophobicContact CE1-CD2 4.42Å; F528-L532 HydrophobicContact CE2-CD2 4.49Å; F528-L532 HydrophobicContact CZ-CD2 3.97Å; F528-L532 WeakPolarHBondContact O-CB 3.44Å; F528-L532 PolarHBondContact O-N 2.7Å; H529-L532 PolarHBondContact O-N 2.78Å; R530-L532 VanDerWaalsContact C-N 3.35Å; R530-L532 PolarHBondContact O-N 3.04Å; L532-C535 PolarHBondContact O-N 3.46Å; L532-C536 PolarHBondContact O-N 2.94Å; L532-C536 PolarHBondContact O-SG 2.84Å; L532-V567 HydrophobicContact CB-CG1 4.14Å; L532-V567 HydrophobicContact CD1-CG1 3.77Å; L532-F571 HydrophobicContact CD1-CD2 4.03Å
533	L	96.8	Very high	92.6	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-67	-40.6	177	-171.8	65	0	0	0	111.6	L463 M466 F492 Y499 H529 C535 C536 L537	L463-L533 HydrophobicContact CD1-CD2 3.93Å; L463-L533 HydrophobicContact CG-CD1 4.48Å; L463-L533 HydrophobicContact CG-CD2 3.86Å; M466-L533 HydrophobicContact CB-CD2 3.92Å; M466-L533 HydrophobicContact CE-CB 4.12Å; M466-L533 HydrophobicContact CE-CD2 3.99Å; M466-L533 HydrophobicContact CE-CG 4.36Å; M466-L533 HydrophobicContact CG-CD2 4.43Å; M466-L533 HydrophobicContact SD-CB 4.34Å; M466-L533 HydrophobicContact SD-CD2 3.71Å; F492-L533 HydrophobicContact CE1-CD2 4.49Å; F492-L533 HydrophobicContact CE2-CD2 4.31Å; F492-L533 HydrophobicContact CZ-CD2 3.73Å; Y499-L533 HydrophobicContact CD2-CB 3.98Å; Y499-L533 HydrophobicContact CD2-CD1 4.18Å; Y499-L533 HydrophobicContact CE2-CB 4.44Å; Y499-L533 HydrophobicContact CG-CD1 3.99Å; H529-L533 PolarHBondContact O-N 3.31Å; L533-C535 VanDerWaalsContact C-N 3.29Å; L533-C535 PolarHBondContact O-N 3.47Å; L533-C536 WeakPolarHBondContact O-CB 3.43Å; L533-C536 PolarHBondContact O-N 3.04Å; L533-L537 WeakPolarHBondContact O-CB 3.3Å; L533-L537 PolarHBondContact O-N 2.62Å
534	A	96.2	Very high	92.2	Very high	0 Å²	0	19 Å²	19	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-58.5	-40.5	172.2	0	0	0	0	0	111.9	R530 L537 E538 I553 T554 F557 F564	R530-A534 WeakPolarHBondContact O-CB 3.3Å; R530-A534 PolarHBondContact O-N 2.91Å; A534-L537 PolarHBondContact O-N 3.48Å; A534-E538 WeakPolarHBondContact O-CB 3.49Å; A534-E538 PolarHBondContact O-N 2.83Å; A534-I553 HydrophobicContact CB-CG2 4.17Å; A534-T554 HydrophobicContact CB-CG2 4.36Å; A534-F557 HydrophobicContact CB-CD2 3.99Å; A534-F557 HydrophobicContact CB-CE2 4.48Å; A534-F564 HydrophobicContact CB-CD2 4.28Å; A534-F564 HydrophobicContact CB-CE2 3.82Å
535	C	96.4	Very high	91.4	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-67.7	-39.2	176.1	-170.7	0	0	0	0	112	S531 L532 L533 V539 F564 V567	S531-C535 VanDerWaalsContact O-CB 3.28Å; S531-C535 WeakPolarHBondContact O-CB 3.29Å; S531-C535 PolarHBondContact O-N 3.39Å; L532-C535 PolarHBondContact O-N 3.46Å; L533-C535 VanDerWaalsContact C-N 3.29Å; L533-C535 PolarHBondContact O-N 3.47Å; C535-V539 VanDerWaalsContact O-CG2 3.29Å; C535-V539 WeakPolarHBondContact O-CG2 3.4Å; C535-V539 PolarHBondContact O-N 3.35Å; C535-F564 HydrophobicContact CB-CE2 3.95Å; C535-F564 HydrophobicContact CB-CZ 3.99Å; C535-V567 HydrophobicContact CB-CG1 4.5Å
536	C	96.3	Very high	90.2	Very high	0 Å²	0	15 Å²	15	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-62.3	-43.3	173.6	-63.4	0	0	0	0	111.6	A495 L498 Y499 L532 L533 V539 V540	A495-C536 HydrophobicContact CB-CB 4.18Å; A495-C536 WeakPolarHBondContact O-CB 3.42Å; L498-C536 HydrophobicContact CB-CB 4.26Å; L498-C536 HydrophobicContact CD2-CB 4.25Å; L498-C536 HydrophobicContact CG-CB 4.29Å; Y499-C536 VanDerWaalsContact CA-SG 3.53Å; L532-C536 PolarHBondContact O-N 2.94Å; L532-C536 PolarHBondContact O-SG 2.84Å; L533-C536 WeakPolarHBondContact O-CB 3.43Å; L533-C536 PolarHBondContact O-N 3.04Å; C536-V539 PolarHBondContact O-N 3.32Å; C536-V540 WeakPolarHBondContact O-CG2 3.49Å; C536-V540 PolarHBondContact O-N 3.46Å
537	L	94.4	Very high	88.4	Confident	0 Å²	0	15.1 Å²	15.1	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-72.5	-34.8	-178.4	-171.5	57.8	0	0	0	112.6	Y470 H491 F492 A495 L533 A534 V540 T541 I553 F557	Y470-L537 HydrophobicContact CD2-CD2 3.66Å; Y470-L537 HydrophobicContact CE2-CD1 4.45Å; Y470-L537 HydrophobicContact CE2-CD2 3.59Å; Y470-L537 HydrophobicContact CE2-CG 4.28Å; Y470-L537 HydrophobicContact CG-CD2 4.17Å; H491-L537 HydrophobicContact CB-CD1 4.45Å; F492-L537 HydrophobicContact CD2-CD2 4.07Å; F492-L537 HydrophobicContact CE2-CD2 4.42Å; A495-L537 HydrophobicContact CB-CB 3.84Å; A495-L537 HydrophobicContact CB-CD1 3.75Å; A495-L537 HydrophobicContact CB-CG 4.38Å; L533-L537 WeakPolarHBondContact O-CB 3.3Å; L533-L537 PolarHBondContact O-N 2.62Å; A534-L537 PolarHBondContact O-N 3.48Å; L537-V540 PolarHBondContact O-N 2.88Å; L537-T541 VanDerWaalsContact O-CB 3.23Å; L537-T541 WeakPolarHBondContact O-CB 3.29Å; L537-T541 PolarHBondContact O-N 3.3Å; L537-T541 PolarHBondContact O-OG1 3.47Å; L537-I553 HydrophobicContact CB-CG2 4.17Å; L537-I553 HydrophobicContact CD2-CD1 4.29Å; L537-I553 HydrophobicContact CD2-CG2 4.13Å; L537-I553 HydrophobicContact CG-CD1 4.24Å; L537-I553 HydrophobicContact CG-CG2 4.25Å; L537-F557 HydrophobicContact CD2-CE2 3.77Å; L537-F557 HydrophobicContact CD2-CZ 3.77Å
538	E	94.1	Very high	87.2	Confident	1 Å²	1	13.9 Å²	13.9	1%	0.005	7%	0.074	C	C	.	.	H	α-helix	trans	-62.4	-43.2	169.1	-177.6	59.9	-138.9	0	0	111.1	A534 V540 T541 F542 H585 I589	A534-E538 WeakPolarHBondContact O-CB 3.49Å; A534-E538 PolarHBondContact O-N 2.83Å; E538-V540 PolarHBondContact O-N 2.73Å; E538-T541 PolarHBondContact O-N 3.37Å; E538-F542 WeakPolarHBondContact O-CB 3.41Å; E538-F542 PolarHBondContact O-N 2.9Å; E538-H585 IonicContact OE1-CD2 2.72Å; E538-H585 IonicContact OE1-CE1 3.47Å; E538-H585 IonicContact OE1-NE2 3.13Å; E538-H585 PolarHBondContact OE1-NE2 3.27Å; E538-I589 HydrophobicContact CG-CD1 3.77Å
539	V	92.8	Very high	86.2	Confident	2 Å²	2	16 Å²	16	1%	0.012	9%	0.086	C	C	.	.	H	α-helix	trans	-62.9	-41.8	176.8	166.7	0	0	0	0	112.4	L498 C535 C536 S543 F571 V582 L586	L498-V539 HydrophobicContact CD2-CB 4.36Å; L498-V539 HydrophobicContact CD2-CG1 3.98Å; C535-V539 VanDerWaalsContact O-CG2 3.29Å; C535-V539 WeakPolarHBondContact O-CG2 3.4Å; C535-V539 PolarHBondContact O-N 3.35Å; C536-V539 PolarHBondContact O-N 3.32Å; V539-S543 VanDerWaalsContact O-CB 3.32Å; V539-S543 WeakPolarHBondContact O-CB 3.23Å; V539-S543 PolarHBondContact O-N 2.92Å; V539-S543 VanDerWaalsContact O-N 3.11Å; V539-S543 PolarHBondContact O-OG 2.87Å; V539-F571 HydrophobicContact CB-CZ 4.36Å; V539-F571 HydrophobicContact CG1-CZ 4.45Å; V539-F571 HydrophobicContact CG2-CE1 3.76Å; V539-F571 HydrophobicContact CG2-CZ 3.87Å; V539-V582 HydrophobicContact CB-CG1 4.41Å; V539-V582 HydrophobicContact CG1-CG1 3.81Å; V539-V582 HydrophobicContact CG2-CG1 3.87Å; V539-L586 HydrophobicContact CG2-CD1 3.92Å; V539-L586 HydrophobicContact CG2-CD2 4.03Å; V539-L586 HydrophobicContact CG2-CG 4.24Å
540	V	92.1	Very high	85.7	Confident	0 Å²	0	17.1 Å²	17.1	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-66.3	-48.4	174.8	173.6	0	0	0	0	110.7	L429 H491 F494 A495 L498 C536 L537 E538 F542 S543 Y544	L429-V540 HydrophobicContact CD1-CG2 4.45Å; L429-V540 HydrophobicContact CD2-CG1 4.49Å; L429-V540 HydrophobicContact CD2-CG2 4.23Å; H491-V540 HydrophobicContact CB-CG1 4.07Å; F494-V540 HydrophobicContact CB-CG1 4.13Å; F494-V540 HydrophobicContact CB-CG2 3.98Å; A495-V540 HydrophobicContact CB-CG2 4.32Å; L498-V540 HydrophobicContact CD2-CG2 4.45Å; C536-V540 WeakPolarHBondContact O-CG2 3.49Å; C536-V540 PolarHBondContact O-N 3.46Å; L537-V540 PolarHBondContact O-N 2.88Å; E538-V540 PolarHBondContact O-N 2.73Å; V540-F542 PolarHBondContact O-N 2.95Å; V540-S543 PolarHBondContact O-N 3.18Å; V540-S543 VanDerWaalsContact O-N 3.13Å; V540-Y544 HydrophobicContact CG1-CD2 4.35Å; V540-Y544 PolarHBondContact O-N 3.3Å
541	T	87.1	Confident	85.4	Confident	17 Å²	17	16.1 Å²	16.1	10%	0.104	9%	0.092	C	C	.	.	H	α-helix	trans	-61.9	-45.2	-178.1	-58.9	0	0	0	0	111.6	L537 E538 S543 Y544 K545	L537-T541 VanDerWaalsContact O-CB 3.23Å; L537-T541 WeakPolarHBondContact O-CB 3.29Å; L537-T541 PolarHBondContact O-N 3.3Å; L537-T541 PolarHBondContact O-OG1 3.47Å; E538-T541 PolarHBondContact O-N 3.37Å; T541-S543 VanDerWaalsContact C-N 3.33Å; T541-S543 PolarHBondContact O-N 3.39Å; T541-Y544 PolarHBondContact O-N 3.02Å; T541-K545 PolarHBondContact O-N 3.03Å
542	F	86.7	Confident	85	Confident	7 Å²	7	19.8 Å²	19.8	3%	0.031	11%	0.107	C	C	.	.	H	α-helix	trans	-60.5	-40.3	173.4	172.4	-92	0	0	0	112.7	I399 E538 V540 Y544 K545 P546 P547 E581 V582 H585	I399-F542 HydrophobicContact CD1-CE2 3.58Å; I399-F542 HydrophobicContact CD1-CZ 3.65Å; I399-F542 HydrophobicContact CG1-CE2 4.23Å; I399-F542 HydrophobicContact CG1-CZ 4.24Å; E538-F542 WeakPolarHBondContact O-CB 3.41Å; E538-F542 PolarHBondContact O-N 2.9Å; V540-F542 PolarHBondContact O-N 2.95Å; F542-Y544 PolarHBondContact O-N 2.63Å; F542-K545 CarbonylContact O-C 3.42Å; F542-P546 HydrophobicContact CD2-CB 4.41Å; F542-P546 HydrophobicContact CE2-CB 3.84Å; F542-P546 HydrophobicContact CZ-CB 4.08Å; F542-P546 WeakPolarHBondContact O-CD 3.48Å; F542-P547 WeakPolarHBondContact CD2-O 3.42Å; F542-E581 HydrophobicContact CE1-CB 4.47Å; F542-V582 HydrophobicContact CD1-CG2 3.86Å; F542-V582 HydrophobicContact CE1-CG2 4.02Å; F542-H585 HydrophobicContact CD1-CB 4.39Å; F542-H585 HydrophobicContact CD2-CB 4.2Å; F542-H585 AromaticContact CD2-CD2 3.47Å; F542-H585 VanDerWaalsContact CD2-CD2 3.47Å; F542-H585 WeakPolarHBondContact CD2-CD2 3.3Å; F542-H585 AromaticContact CD2-CE1 3.62Å; F542-H585 AromaticContact CD2-CG 3.51Å; F542-H585 AromaticContact CD2-ND1 3.63Å; F542-H585 AromaticContact CD2-NE2 3.52Å; F542-H585 HydrophobicContact CE1-CB 4.37Å; F542-H585 HydrophobicContact CE2-CB 4.19Å; F542-H585 AromaticContact CE2-CG 3.88Å; F542-H585 AromaticContact CE2-ND1 3.89Å; F542-H585 HydrophobicContact CG-CB 4.31Å; F542-H585 AromaticContact CG-CD2 3.42Å; F542-H585 VanDerWaalsContact CG-CD2 3.42Å; F542-H585 WeakPolarHBondContact CG-CD2 3.38Å; F542-H585 AromaticContact CG-CG 3.79Å; F542-H585 AromaticContact CG-NE2 3.78Å; F542-H585 HydrophobicContact CZ-CB 4.29Å
543	S	84.8	Confident	84.7	Confident	5 Å²	5	19.9 Å²	19.9	4%	0.035	11%	0.108	C	C	.	.	H	α-helix	trans	-67.5	-24.3	-176.7	-63.8	0	0	0	0	113.5	V539 V540 T541	V539-S543 VanDerWaalsContact O-CB 3.32Å; V539-S543 WeakPolarHBondContact O-CB 3.23Å; V539-S543 PolarHBondContact O-N 2.92Å; V539-S543 VanDerWaalsContact O-N 3.11Å; V539-S543 PolarHBondContact O-OG 2.87Å; V540-S543 PolarHBondContact O-N 3.18Å; V540-S543 VanDerWaalsContact O-N 3.13Å; T541-S543 VanDerWaalsContact C-N 3.33Å; T541-S543 PolarHBondContact O-N 3.39Å
544	Y	78.8	Confident	84.5	Confident	8 Å²	8	20 Å²	20	3%	0.031	11%	0.109	C	C	.	.	H	α-helix	trans	-89.7	-52.6	169.4	-81.6	-80.3	0	0	0	111.9	E289 L426 H430 K490 H491 F494 V540 T541 F542 P546	E289-Y544 PolarHBondContact OE1-OH 3.32Å; L426-Y544 HydrophobicContact CD1-CD1 4.24Å; L426-Y544 HydrophobicContact CD1-CD2 4.09Å; L426-Y544 HydrophobicContact CD1-CE1 3.81Å; L426-Y544 HydrophobicContact CD1-CE2 3.64Å; L426-Y544 HydrophobicContact CD1-CG 4.37Å; L426-Y544 VanDerWaalsContact CD1-CZ 3.49Å; L426-Y544 HydrophobicContact CD2-CD1 3.82Å; L426-Y544 HydrophobicContact CD2-CE1 3.48Å; L426-Y544 VanDerWaalsContact CD2-CE1 3.48Å; L426-Y544 HydrophobicContact CG-CE1 4.3Å; H430-Y544 PolarHBondContact CE1-OH 3.28Å; H430-Y544 VanDerWaalsContact CE1-OH 3.3Å; K490-Y544 VanDerWaalsContact CE-OH 3.31Å; K490-Y544 WeakPolarHBondContact CE-OH 3.31Å; K490-Y544 PolarHBondContact NZ-OH 3.09Å; H491-Y544 AromaticContact CE1-CD2 3.96Å; H491-Y544 AromaticContact NE2-CD2 3.57Å; H491-Y544 AromaticContact NE2-CE2 3.94Å; H491-Y544 AromaticContact NE2-CG 3.78Å; F494-Y544 HydrophobicContact CD2-CE2 4.31Å; F494-Y544 HydrophobicContact CE2-CE2 4.34Å; V540-Y544 HydrophobicContact CG1-CD2 4.35Å; V540-Y544 PolarHBondContact O-N 3.3Å; T541-Y544 PolarHBondContact O-N 3.02Å; F542-Y544 PolarHBondContact O-N 2.63Å; Y544-P546 VanDerWaalsContact C-CD 3.44Å; Y544-P546 WeakPolarHBondContact O-CD 3.32Å
545	K	73.3	Confident	84.2	Confident	72 Å²	72	25 Å²	25	31%	0.313	13%	0.132	S	C	.	.	S	Bend	trans	-116.2	70.4	-172.6	-162.8	175.9	-176.6	173.6	0	112.9	T541 F542 G548	T541-K545 PolarHBondContact O-N 3.03Å; F542-K545 CarbonylContact O-C 3.42Å; K545-G548 WeakPolarHBondContact O-CA 3.48Å; K545-G548 PolarHBondContact O-N 2.92Å
546	P	64.8	Low	84	Confident	13 Å²	13	25.8 Å²	25.8	8%	0.084	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.1	149.5	172.5	27.9	-34	0	0	0	110.8	R154 F542 Y544 G548	R154-P546 VanDerWaalsContact CZ-O 3.32Å; R154-P546 PolarHBondContact NH1-O 3.07Å; R154-P546 PolarHBondContact NH2-O 3.27Å; F542-P546 HydrophobicContact CD2-CB 4.41Å; F542-P546 HydrophobicContact CE2-CB 3.84Å; F542-P546 HydrophobicContact CZ-CB 4.08Å; F542-P546 WeakPolarHBondContact O-CD 3.48Å; Y544-P546 VanDerWaalsContact C-CD 3.44Å; Y544-P546 WeakPolarHBondContact O-CD 3.32Å; P546-G548 VanDerWaalsContact C-N 3.3Å
547	P	53.5	Low	83.8	Confident	64 Å²	64	26 Å²	26	42%	0.416	14%	0.137	S	C	.	.	T	Hydrogen-bonded Turn	cis	-83.7	16	4.3	36.5	-37.2	0	0	0	114.9	F542 H585	F542-P547 WeakPolarHBondContact CD2-O 3.42Å; P547-H585 PolarHBondContact O-CE1 3.42Å
548	G	65.7	Low	83.7	Confident	16 Å²	16	34.4 Å²	34.4	17%	0.165	18%	0.177	C	C	.	.			trans	86.7	166.8	-175.5	0	0	0	0	0	113.4	K545 P546	K545-G548 WeakPolarHBondContact O-CA 3.48Å; K545-G548 PolarHBondContact O-N 2.92Å; P546-G548 VanDerWaalsContact C-N 3.3Å
549	N	71.5	Confident	83.6	Confident	80 Å²	80	34.8 Å²	34.8	43%	0.428	18%	0.179	S	C	.	.			trans	-115.9	14.5	-175.1	-78.5	37.1	0	0	0	112.8	F552	N549-F552 HydrophobicContact CB-CB 4.18Å; N549-F552 WeakPolarHBondContact O-CB 3.39Å; N549-F552 PolarHBondContact O-N 2.99Å
550	F	85.4	Confident	83.7	Confident	24 Å²	24	37.1 Å²	37.1	11%	0.105	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.5	132.1	179	-176	-88.3	0	0	0	111.7	T554 L561 F564 I589 I593 L597	F550-T554 HydrophobicContact CE2-CG2 4.12Å; F550-L561 HydrophobicContact CE2-CD2 4.23Å; F550-L561 HydrophobicContact CZ-CD2 3.72Å; F550-F564 HydrophobicContact CE2-CD1 4.26Å; F550-F564 AromaticContact CE2-CE1 3.9Å; F550-F564 HydrophobicContact CE2-CE1 3.9Å; F550-F564 HydrophobicContact CE2-CZ 4.37Å; F550-I589 HydrophobicContact CB-CD1 3.9Å; F550-I589 HydrophobicContact CB-CG1 4.11Å; F550-I589 HydrophobicContact CD1-CB 4.44Å; F550-I589 HydrophobicContact CD1-CD1 4.4Å; F550-I589 HydrophobicContact CD1-CG1 3.87Å; F550-I589 HydrophobicContact CD1-CG2 3.97Å; F550-I589 HydrophobicContact CD2-CD1 3.79Å; F550-I589 HydrophobicContact CD2-CG1 4.11Å; F550-I589 HydrophobicContact CD2-CG2 3.89Å; F550-I589 HydrophobicContact CE1-CB 4.49Å; F550-I589 HydrophobicContact CE1-CG1 4.41Å; F550-I589 HydrophobicContact CE1-CG2 3.64Å; F550-I589 HydrophobicContact CE2-CG2 3.57Å; F550-I589 HydrophobicContact CG-CD1 3.73Å; F550-I589 HydrophobicContact CG-CG1 3.72Å; F550-I589 HydrophobicContact CG-CG2 4.1Å; F550-I589 HydrophobicContact CZ-CG2 3.44Å; F550-I589 VanDerWaalsContact CZ-CG2 3.44Å; F550-I593 HydrophobicContact CE1-CG1 4.37Å; F550-I593 HydrophobicContact CZ-CD1 3.96Å; F550-I593 HydrophobicContact CZ-CG1 4.12Å; F550-L597 HydrophobicContact CE1-CD1 3.72Å
551	P	89.2	Confident	83.8	Confident	29 Å²	29	38.2 Å²	38.2	19%	0.188	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	cis	-93.1	11.7	17.5	36.3	-37.5	0	0	0	117.5	I553 T554 E555 L561	P551-I553 VanDerWaalsContact C-N 3.34Å; P551-I553 PolarHBondContact O-N 2.8Å; P551-I553 VanDerWaalsContact O-N 3.08Å; P551-T554 WeakPolarHBondContact O-CA 3.45Å; P551-T554 PolarHBondContact O-N 2.92Å; P551-T554 PolarHBondContact O-OG1 2.86Å; P551-E555 HydrophobicContact CB-CG 4.27Å; P551-E555 HydrophobicContact CG-CG 4.29Å; P551-E555 PolarHBondContact O-N 3.37Å; P551-L561 HydrophobicContact CB-CD1 4.47Å
552	F	88.9	Confident	84.1	Confident	77 Å²	77	37.5 Å²	37.5	34%	0.338	20%	0.195	S	C	.	.	H	α-helix	trans	-43.7	-48.1	-172.9	179.2	-116.6	0	0	0	115.6	F474 N549 T554 E555 I556	F474-F552 AromaticContact CE2-CE1 3.89Å; F474-F552 HydrophobicContact CE2-CE1 3.89Å; F474-F552 HydrophobicContact CE2-CZ 4.42Å; F474-F552 HydrophobicContact CZ-CE1 4.23Å; N549-F552 HydrophobicContact CB-CB 4.18Å; N549-F552 WeakPolarHBondContact O-CB 3.39Å; N549-F552 PolarHBondContact O-N 2.99Å; F552-T554 VanDerWaalsContact C-N 3.35Å; F552-T554 PolarHBondContact O-N 2.72Å; F552-E555 PolarHBondContact O-N 3.04Å; F552-I556 HydrophobicContact CD1-CD1 3.87Å; F552-I556 HydrophobicContact CD2-CD1 4.12Å; F552-I556 HydrophobicContact CD2-CG1 4.49Å; F552-I556 HydrophobicContact CE1-CD1 3.55Å; F552-I556 HydrophobicContact CE2-CD1 3.81Å; F552-I556 HydrophobicContact CE2-CG1 4.34Å; F552-I556 HydrophobicContact CG-CD1 4.16Å; F552-I556 HydrophobicContact CZ-CD1 3.54Å; F552-I556 WeakPolarHBondContact O-CG1 3.23Å; F552-I556 PolarHBondContact O-N 2.76Å
553	I	90.8	Very high	84.4	Confident	2 Å²	2	39 Å²	39	1%	0.01	20%	0.202	C	C	.	.	H	α-helix	trans	-64.3	-37.2	-179.8	-59.3	-59.4	0	0	0	112.3	Y470 A534 L537 P551 F557	Y470-I553 HydrophobicContact CE2-CD1 3.92Å; A534-I553 HydrophobicContact CB-CG2 4.17Å; L537-I553 HydrophobicContact CB-CG2 4.17Å; L537-I553 HydrophobicContact CD2-CD1 4.29Å; L537-I553 HydrophobicContact CD2-CG2 4.13Å; L537-I553 HydrophobicContact CG-CD1 4.24Å; L537-I553 HydrophobicContact CG-CG2 4.25Å; P551-I553 VanDerWaalsContact C-N 3.34Å; P551-I553 PolarHBondContact O-N 2.8Å; P551-I553 VanDerWaalsContact O-N 3.08Å; I553-F557 HydrophobicContact CG2-CD2 4.04Å; I553-F557 HydrophobicContact CG2-CE2 3.79Å; I553-F557 WeakPolarHBondContact O-CD2 3.35Å
554	T	91.3	Very high	84.9	Confident	4 Å²	4	38.8 Å²	38.8	3%	0.025	20%	0.201	C	C	.	.	H	α-helix	trans	-75.6	-27	175.9	40.1	0	0	0	0	113	A534 F550 P551 F552 E558 V559 L561 F564	A534-T554 HydrophobicContact CB-CG2 4.36Å; F550-T554 HydrophobicContact CE2-CG2 4.12Å; P551-T554 WeakPolarHBondContact O-CA 3.45Å; P551-T554 PolarHBondContact O-N 2.92Å; P551-T554 PolarHBondContact O-OG1 2.86Å; F552-T554 VanDerWaalsContact C-N 3.35Å; F552-T554 PolarHBondContact O-N 2.72Å; T554-E558 PolarHBondContact O-N 3.42Å; T554-V559 HydrophobicContact CG2-CB 4.25Å; T554-V559 HydrophobicContact CG2-CG1 4.39Å; T554-V559 PolarHBondContact O-N 3.1Å; T554-L561 HydrophobicContact CG2-CD2 3.93Å; T554-L561 WeakPolarHBondContact OG1-CD2 3.48Å; T554-F564 HydrophobicContact CG2-CB 4.36Å; T554-F564 HydrophobicContact CG2-CD1 4.34Å; T554-F564 HydrophobicContact CG2-CD2 3.37Å; T554-F564 HydrophobicContact CG2-CE2 3.58Å; T554-F564 HydrophobicContact CG2-CG 3.78Å; T554-F564 HydrophobicContact CG2-CZ 4.16Å
555	E	90.9	Very high	85.6	Confident	104 Å²	104	38.4 Å²	38.4	49%	0.486	20%	0.199	S	C	.	.	H	α-helix	trans	-74.1	-43.9	175.8	-68.9	176	151.8	0	0	111.3	P551 F552 F557 E558	P551-E555 HydrophobicContact CB-CG 4.27Å; P551-E555 HydrophobicContact CG-CG 4.29Å; P551-E555 PolarHBondContact O-N 3.37Å; F552-E555 PolarHBondContact O-N 3.04Å; E555-F557 PolarHBondContact O-N 2.89Å; E555-E558 PolarHBondContact O-N 3.13Å; E555-E558 VanDerWaalsContact O-N 3.11Å
556	I	90.9	Very high	86.5	Confident	16 Å²	16	38.4 Å²	38.4	8%	0.082	20%	0.199	C	C	.	.	H	α-helix	trans	-54.9	-38.3	174	-72.3	167	0	0	0	112.6	I469 H473 F552	I469-I556 HydrophobicContact CG2-CG2 3.76Å; I469-I556 WeakPolarHBondContact CG2-O 3.5Å; H473-I556 HydrophobicContact CB-CD1 4.07Å; H473-I556 HydrophobicContact CB-CG1 4.2Å; H473-I556 HydrophobicContact CB-CG2 4.46Å; F552-I556 HydrophobicContact CD1-CD1 3.87Å; F552-I556 HydrophobicContact CD2-CD1 4.12Å; F552-I556 HydrophobicContact CD2-CG1 4.49Å; F552-I556 HydrophobicContact CE1-CD1 3.55Å; F552-I556 HydrophobicContact CE2-CD1 3.81Å; F552-I556 HydrophobicContact CE2-CG1 4.34Å; F552-I556 HydrophobicContact CG-CD1 4.16Å; F552-I556 HydrophobicContact CZ-CD1 3.54Å; F552-I556 WeakPolarHBondContact O-CG1 3.23Å; F552-I556 PolarHBondContact O-N 2.76Å
557	F	92.1	Very high	88	Confident	5 Å²	5	38.1 Å²	38.1	2%	0.022	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.9	7.6	-177.4	-61.2	-40.8	0	0	0	114	M466 I469 Y470 F492 A534 L537 I553 E555 V559	M466-F557 HydrophobicContact CB-CD1 4.31Å; M466-F557 HydrophobicContact CB-CE1 3.91Å; M466-F557 HydrophobicContact CB-CZ 4.27Å; M466-F557 HydrophobicContact CE-CB 4.05Å; M466-F557 HydrophobicContact CE-CD1 3.88Å; M466-F557 HydrophobicContact CE-CD2 3.4Å; M466-F557 HydrophobicContact CE-CE1 4.15Å; M466-F557 HydrophobicContact CE-CE2 3.66Å; M466-F557 HydrophobicContact CE-CG 3.52Å; M466-F557 HydrophobicContact CE-CZ 4.04Å; M466-F557 HydrophobicContact CG-CD1 4.32Å; M466-F557 HydrophobicContact CG-CE1 4.4Å; M466-F557 VanDerWaalsContact O-CE1 3.28Å; M466-F557 WeakPolarHBondContact O-CE1 3.25Å; I469-F557 HydrophobicContact CG2-CD1 4.19Å; I469-F557 HydrophobicContact CG2-CE1 4.44Å; Y470-F557 HydrophobicContact CD2-CZ 4.25Å; Y470-F557 HydrophobicContact CG-CZ 4.47Å; F492-F557 HydrophobicContact CE2-CZ 4.29Å; A534-F557 HydrophobicContact CB-CD2 3.99Å; A534-F557 HydrophobicContact CB-CE2 4.48Å; L537-F557 HydrophobicContact CD2-CE2 3.77Å; L537-F557 HydrophobicContact CD2-CZ 3.77Å; I553-F557 HydrophobicContact CG2-CD2 4.04Å; I553-F557 HydrophobicContact CG2-CE2 3.79Å; I553-F557 WeakPolarHBondContact O-CD2 3.35Å; E555-F557 PolarHBondContact O-N 2.89Å; F557-V559 HydrophobicContact CB-CG2 3.74Å; F557-V559 PolarHBondContact O-N 3.28Å; F557-V559 VanDerWaalsContact O-N 3.07Å
558	E	92.2	Very high	89.8	Confident	177 Å²	177	35.1 Å²	35.1	83%	0.827	18%	0.177	S	C	*	.	T	Hydrogen-bonded Turn	trans	49.6	29.5	-174.8	-57.4	-169.1	159.8	0	0	114	T554 E555 P560	T554-E558 PolarHBondContact O-N 3.42Å; E555-E558 PolarHBondContact O-N 3.13Å; E555-E558 VanDerWaalsContact O-N 3.11Å; E558-P560 VanDerWaalsContact O-CD 3.23Å; E558-P560 WeakPolarHBondContact O-CD 3.39Å
559	V	93.8	Very high	90.9	Very high	9 Å²	9	35.5 Å²	35.5	6%	0.055	18%	0.175	C	C	.	.			trans	-77.4	115.5	-174.7	174.2	0	0	0	0	109.9	R530 S531 T554 F557 L561 F564	R530-V559 HydrophobicContact CB-CG2 3.8Å; S531-V559 WeakPolarHBondContact OG-CG1 3.34Å; T554-V559 HydrophobicContact CG2-CB 4.25Å; T554-V559 HydrophobicContact CG2-CG1 4.39Å; T554-V559 PolarHBondContact O-N 3.1Å; F557-V559 HydrophobicContact CB-CG2 3.74Å; F557-V559 PolarHBondContact O-N 3.28Å; F557-V559 VanDerWaalsContact O-N 3.07Å; V559-L561 PolarHBondContact O-N 3.48Å; V559-F564 HydrophobicContact CG1-CB 4.16Å; V559-F564 HydrophobicContact CG1-CD2 4.26Å
560	P	93.7	Very high	91.7	Very high	51 Å²	51	34 Å²	34	33%	0.331	17%	0.168	S	C	.	.			trans	-64	130	-178.9	-21.7	34.3	0	0	0	111	E558 Y562 H563 F564 P604	E558-P560 VanDerWaalsContact O-CD 3.23Å; E558-P560 WeakPolarHBondContact O-CD 3.39Å; P560-Y562 VanDerWaalsContact C-N 3.28Å; P560-Y562 PolarHBondContact O-N 3.17Å; P560-H563 WeakPolarHBondContact O-CA 3.36Å; P560-H563 WeakPolarHBondContact O-CB 3.23Å; P560-H563 PolarHBondContact O-N 3.4Å; P560-F564 PolarHBondContact O-N 3.41Å; P560-P604 HydrophobicContact CB-CG 3.78Å; P560-P604 HydrophobicContact CG-CG 4.27Å
561	L	94.8	Very high	92.1	Very high	23 Å²	23	32.8 Å²	32.8	12%	0.12	16%	0.163	C	C	.	.	H	α-helix	trans	-66.7	-29.5	-173.7	-65.3	178.9	0	0	0	113.2	F550 P551 T554 V559 H563 F564 Y565 I593 L597	F550-L561 HydrophobicContact CE2-CD2 4.23Å; F550-L561 HydrophobicContact CZ-CD2 3.72Å; P551-L561 HydrophobicContact CB-CD1 4.47Å; T554-L561 HydrophobicContact CG2-CD2 3.93Å; T554-L561 WeakPolarHBondContact OG1-CD2 3.48Å; V559-L561 PolarHBondContact O-N 3.48Å; L561-H563 PolarHBondContact O-N 3.42Å; L561-H563 VanDerWaalsContact O-N 3.12Å; L561-F564 HydrophobicContact CD2-CB 4.22Å; L561-F564 PolarHBondContact O-N 2.8Å; L561-Y565 PolarHBondContact O-N 2.82Å; L561-I593 HydrophobicContact CB-CD1 4.43Å; L561-I593 HydrophobicContact CB-CG1 4.24Å; L561-I593 HydrophobicContact CB-CG2 4.04Å; L561-I593 HydrophobicContact CD2-CD1 4.29Å; L561-L597 HydrophobicContact CD1-CB 3.58Å; L561-L597 HydrophobicContact CD1-CD1 4.06Å; L561-L597 HydrophobicContact CD1-CG 4.34Å
562	Y	93.6	Very high	92.1	Very high	1 Å²	1	32.5 Å²	32.5	0%	0.004	16%	0.16	C	C	.	.	H	α-helix	trans	-62	-11.5	167.1	-178.3	-101.5	0	0	0	113.5	P560 Y565 K566 P604 L605 K608 S835 L836 F839	P560-Y562 VanDerWaalsContact C-N 3.28Å; P560-Y562 PolarHBondContact O-N 3.17Å; Y562-Y565 HydrophobicContact CD2-CE1 4.02Å; Y562-Y565 HydrophobicContact CE2-CE1 4.26Å; Y562-Y565 VanDerWaalsContact O-CE1 3.27Å; Y562-Y565 WeakPolarHBondContact O-CE1 3.26Å; Y562-K566 WeakPolarHBondContact O-CE 3.3Å; Y562-P604 HydrophobicContact CD1-CB 4.14Å; Y562-L605 HydrophobicContact CD2-CB 3.98Å; Y562-L605 HydrophobicContact CD2-CD1 4.06Å; Y562-L605 HydrophobicContact CE2-CB 4.43Å; Y562-L605 HydrophobicContact CE2-CD1 3.76Å; Y562-L605 HydrophobicContact CG-CB 4.3Å; Y562-K608 HydrophobicContact CE1-CG 4.03Å; Y562-S835 VanDerWaalsContact OH-C 3.3Å; Y562-S835 PolarHBondContact OH-O 3.35Å; Y562-S835 PolarHBondContact OH-OG 3.45Å; Y562-L836 PolarHBondContact OH-N 3.19Å; Y562-F839 AromaticContact CD2-CD2 3.92Å; Y562-F839 HydrophobicContact CD2-CD2 3.92Å; Y562-F839 HydrophobicContact CD2-CE2 4.26Å; Y562-F839 HydrophobicContact CD2-CG 4.22Å; Y562-F839 HydrophobicContact CE2-CB 3.81Å; Y562-F839 HydrophobicContact CE2-CD1 4.39Å; Y562-F839 AromaticContact CE2-CD2 3.92Å; Y562-F839 HydrophobicContact CE2-CD2 3.92Å; Y562-F839 AromaticContact CE2-CG 3.78Å; Y562-F839 HydrophobicContact CE2-CG 3.78Å
563	H	91.6	Very high	91.9	Very high	39 Å²	39	32.7 Å²	32.7	18%	0.181	16%	0.158	C	C	.	.	H	α-helix	trans	-101.5	-42.8	170	-67.6	0.8	0	0	0	112.3	P560 L561 Y565 K566	P560-H563 WeakPolarHBondContact O-CA 3.36Å; P560-H563 WeakPolarHBondContact O-CB 3.23Å; P560-H563 PolarHBondContact O-N 3.4Å; L561-H563 PolarHBondContact O-N 3.42Å; L561-H563 VanDerWaalsContact O-N 3.12Å; H563-Y565 PolarHBondContact O-N 3.26Å; H563-K566 PolarHBondContact ND1-NZ 2.8Å; H563-K566 WeakPolarHBondContact O-CE 3.45Å; H563-K566 PolarHBondContact O-N 3.33Å
564	F	95.8	Very high	91.9	Very high	1 Å²	1	33.1 Å²	33.1	0%	0.004	16%	0.162	C	C	.	.	H	α-helix	trans	-54.2	-47.5	179	-171.6	-97.3	0	0	0	113.8	A534 C535 F550 T554 V559 P560 L561 K566 V567 I568 I589 I593	A534-F564 HydrophobicContact CB-CD2 4.28Å; A534-F564 HydrophobicContact CB-CE2 3.82Å; C535-F564 HydrophobicContact CB-CE2 3.95Å; C535-F564 HydrophobicContact CB-CZ 3.99Å; F550-F564 HydrophobicContact CE2-CD1 4.26Å; F550-F564 AromaticContact CE2-CE1 3.9Å; F550-F564 HydrophobicContact CE2-CE1 3.9Å; F550-F564 HydrophobicContact CE2-CZ 4.37Å; T554-F564 HydrophobicContact CG2-CB 4.36Å; T554-F564 HydrophobicContact CG2-CD1 4.34Å; T554-F564 HydrophobicContact CG2-CD2 3.37Å; T554-F564 HydrophobicContact CG2-CE2 3.58Å; T554-F564 HydrophobicContact CG2-CG 3.78Å; T554-F564 HydrophobicContact CG2-CZ 4.16Å; V559-F564 HydrophobicContact CG1-CB 4.16Å; V559-F564 HydrophobicContact CG1-CD2 4.26Å; P560-F564 PolarHBondContact O-N 3.41Å; L561-F564 HydrophobicContact CD2-CB 4.22Å; L561-F564 PolarHBondContact O-N 2.8Å; F564-K566 PolarHBondContact O-N 2.77Å; F564-K566 VanDerWaalsContact O-N 3.07Å; F564-V567 PolarHBondContact O-N 2.74Å; F564-I568 HydrophobicContact CD1-CD1 3.98Å; F564-I568 HydrophobicContact CD1-CG1 4.22Å; F564-I568 HydrophobicContact CE1-CD1 3.86Å; F564-I568 HydrophobicContact CE1-CG1 3.97Å; F564-I589 HydrophobicContact CD1-CG2 4.41Å; F564-I589 HydrophobicContact CE1-CG2 3.9Å; F564-I593 HydrophobicContact CD1-CD1 3.76Å
565	Y	94.8	Very high	91.7	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-57.7	-32.3	-173.9	87.3	-92.4	0	0	0	113.4	L561 Y562 H563 V567 I568 I593 F839 K842	L561-Y565 PolarHBondContact O-N 2.82Å; Y562-Y565 HydrophobicContact CD2-CE1 4.02Å; Y562-Y565 HydrophobicContact CE2-CE1 4.26Å; Y562-Y565 VanDerWaalsContact O-CE1 3.27Å; Y562-Y565 WeakPolarHBondContact O-CE1 3.26Å; H563-Y565 PolarHBondContact O-N 3.26Å; Y565-V567 PolarHBondContact O-N 3.29Å; Y565-I568 WeakPolarHBondContact O-CB 3.48Å; Y565-I568 PolarHBondContact O-N 3.3Å; Y565-I593 HydrophobicContact CD1-CG2 4.42Å; Y565-F839 HydrophobicContact CD1-CD2 4.39Å; Y565-F839 AromaticContact CE1-CD2 3.76Å; Y565-F839 HydrophobicContact CE1-CD2 3.76Å; Y565-F839 AromaticContact CZ-CD2 3.93Å; Y565-F839 WeakPolarHBondContact OH-CB 3.39Å; Y565-F839 PolarHBondContact OH-N 3.49Å; Y565-K842 HydrophobicContact CD2-CD 4.19Å; Y565-K842 HydrophobicContact CE2-CD 4.04Å
566	K	91.8	Very high	91.3	Very high	71 Å²	71	36.5 Å²	36.5	31%	0.309	18%	0.183	S	C	.	.	H	α-helix	trans	-62.5	-30.8	179.5	-66.9	174.6	-74.5	170.3	0	112.1	Y562 H563 F564 L838	Y562-K566 WeakPolarHBondContact O-CE 3.3Å; H563-K566 PolarHBondContact ND1-NZ 2.8Å; H563-K566 WeakPolarHBondContact O-CE 3.45Å; H563-K566 PolarHBondContact O-N 3.33Å; F564-K566 PolarHBondContact O-N 2.77Å; F564-K566 VanDerWaalsContact O-N 3.07Å; K566-L838 HydrophobicContact CG-CD2 4.4Å
567	V	94.9	Very high	90.9	Very high	7 Å²	7	36.1 Å²	36.1	4%	0.042	18%	0.183	C	C	.	.	H	α-helix	trans	-80.1	-24.3	-179.3	176.9	0	0	0	0	111.9	F528 L532 C535 F564 Y565 E569 V570 F571	F528-V567 HydrophobicContact CD2-CG2 4.1Å; L532-V567 HydrophobicContact CB-CG1 4.14Å; L532-V567 HydrophobicContact CD1-CG1 3.77Å; C535-V567 HydrophobicContact CB-CG1 4.5Å; F564-V567 PolarHBondContact O-N 2.74Å; Y565-V567 PolarHBondContact O-N 3.29Å; V567-E569 PolarHBondContact O-N 3.47Å; V567-V570 WeakPolarHBondContact O-CB 3.39Å; V567-V570 PolarHBondContact O-N 3.26Å; V567-V570 VanDerWaalsContact O-N 3.14Å; V567-F571 VanDerWaalsContact O-CB 3.3Å; V567-F571 WeakPolarHBondContact O-CB 3.48Å; V567-F571 PolarHBondContact O-N 3.23Å
568	I	93	Very high	90.6	Very high	1 Å²	1	36.9 Å²	36.9	1%	0.005	19%	0.187	C	C	.	.	H	α-helix	trans	-56.4	-50.2	177.9	-65.8	173.8	0	0	0	111.6	F564 Y565 V570 F571 I572 L586 I589 E590 I593	F564-I568 HydrophobicContact CD1-CD1 3.98Å; F564-I568 HydrophobicContact CD1-CG1 4.22Å; F564-I568 HydrophobicContact CE1-CD1 3.86Å; F564-I568 HydrophobicContact CE1-CG1 3.97Å; Y565-I568 WeakPolarHBondContact O-CB 3.48Å; Y565-I568 PolarHBondContact O-N 3.3Å; I568-V570 VanDerWaalsContact C-N 3.32Å; I568-V570 PolarHBondContact O-N 3.13Å; I568-F571 PolarHBondContact O-N 2.9Å; I568-I572 HydrophobicContact CG2-CD1 3.74Å; I568-I572 VanDerWaalsContact O-CG1 3.3Å; I568-I572 WeakPolarHBondContact O-CG1 3.49Å; I568-I572 PolarHBondContact O-N 3.24Å; I568-L586 HydrophobicContact CG2-CB 3.94Å; I568-I589 HydrophobicContact CD1-CB 4.36Å; I568-I589 HydrophobicContact CD1-CG2 3.82Å; I568-E590 HydrophobicContact CD1-CB 3.95Å; I568-E590 HydrophobicContact CG2-CB 4.33Å; I568-I593 HydrophobicContact CD1-CD1 4.31Å
569	E	87.5	Confident	90.1	Very high	25 Å²	25	29 Å²	29	12%	0.117	15%	0.151	C	C	.	.	H	α-helix	trans	-68.2	-32.2	178.8	-173.3	174.9	158.5	0	0	112.4	V567 R573 K842	V567-E569 PolarHBondContact O-N 3.47Å; E569-R573 VanDerWaalsContact O-CB 3.31Å; E569-R573 WeakPolarHBondContact O-CB 3.23Å; E569-R573 WeakPolarHBondContact O-CG 3.27Å; E569-R573 PolarHBondContact O-N 3Å; E569-K842 VanDerWaalsContact OE2-CE 3.29Å; E569-K842 WeakPolarHBondContact OE2-CE 3.43Å; E569-K842 IonicContact OE2-NZ 2.67Å; E569-K842 PolarHBondContact OE2-NZ 3.18Å
570	V	89.1	Confident	89.5	Confident	47 Å²	47	33.6 Å²	33.6	29%	0.285	17%	0.167	S	C	.	.	H	α-helix	trans	-66.7	-47.3	175.2	175	0	0	0	0	110.4	V506 V567 I568 R573 A574	V506-V570 HydrophobicContact CB-CG1 4.5Å; V506-V570 HydrophobicContact CG1-CG1 4.08Å; V506-V570 HydrophobicContact CG2-CG1 3.51Å; V567-V570 WeakPolarHBondContact O-CB 3.39Å; V567-V570 PolarHBondContact O-N 3.26Å; V567-V570 VanDerWaalsContact O-N 3.14Å; I568-V570 VanDerWaalsContact C-N 3.32Å; I568-V570 PolarHBondContact O-N 3.13Å; V570-R573 CarbonylContact O-C 3.55Å; V570-R573 PolarHBondContact O-N 3.01Å; V570-A574 WeakPolarHBondContact O-CB 3.44Å; V570-A574 PolarHBondContact O-N 3.39Å
571	F	93.2	Very high	88.9	Confident	0 Å²	0	32.2 Å²	32.2	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-61.6	-49.8	179.5	-175.5	-85.1	0	0	0	111.8	L498 V502 L532 V539 V567 I568 R573 A574 E575 L578 L586	L498-F571 HydrophobicContact CD2-CE2 4.49Å; L498-F571 HydrophobicContact CD2-CZ 4.07Å; L498-F571 HydrophobicContact CG-CE2 4.41Å; L498-F571 HydrophobicContact CG-CZ 4.34Å; V502-F571 HydrophobicContact CB-CD2 4.48Å; V502-F571 HydrophobicContact CB-CE2 4.44Å; V502-F571 HydrophobicContact CG1-CD2 3.84Å; V502-F571 HydrophobicContact CG1-CE2 4.28Å; V502-F571 HydrophobicContact CG2-CD2 4.22Å; V502-F571 HydrophobicContact CG2-CE2 3.84Å; V502-F571 HydrophobicContact CG2-CZ 4.44Å; L532-F571 HydrophobicContact CD1-CD2 4.03Å; V539-F571 HydrophobicContact CB-CZ 4.36Å; V539-F571 HydrophobicContact CG1-CZ 4.45Å; V539-F571 HydrophobicContact CG2-CE1 3.76Å; V539-F571 HydrophobicContact CG2-CZ 3.87Å; V567-F571 VanDerWaalsContact O-CB 3.3Å; V567-F571 WeakPolarHBondContact O-CB 3.48Å; V567-F571 PolarHBondContact O-N 3.23Å; I568-F571 PolarHBondContact O-N 2.9Å; F571-R573 PolarHBondContact O-N 3.44Å; F571-A574 PolarHBondContact O-N 3.1Å; F571-A574 VanDerWaalsContact O-N 3.1Å; F571-E575 PolarHBondContact O-N 3.01Å; F571-E575 VanDerWaalsContact O-N 3.15Å; F571-L578 HydrophobicContact CD1-CD1 3.87Å; F571-L578 HydrophobicContact CE1-CD1 3.66Å; F571-L578 HydrophobicContact CE1-CD2 3.65Å; F571-L578 HydrophobicContact CE1-CG 4.25Å; F571-L578 HydrophobicContact CZ-CD2 4.2Å; F571-L586 HydrophobicContact CD1-CD1 3.64Å; F571-L586 HydrophobicContact CE1-CD1 3.84Å
572	I	89.4	Confident	88.4	Confident	23 Å²	23	31.3 Å²	31.3	12%	0.118	15%	0.152	C	C	.	.	H	α-helix	trans	-62.1	-26.5	177.2	-66.3	168.4	0	0	0	112.2	I568 L578 V583 L586 L666	I568-I572 HydrophobicContact CG2-CD1 3.74Å; I568-I572 VanDerWaalsContact O-CG1 3.3Å; I568-I572 WeakPolarHBondContact O-CG1 3.49Å; I568-I572 PolarHBondContact O-N 3.24Å; I572-L578 HydrophobicContact CG1-CD1 4.35Å; I572-V583 HydrophobicContact CG2-CG1 4.33Å; I572-L586 HydrophobicContact CD1-CB 3.84Å; I572-L586 HydrophobicContact CD1-CD1 4.32Å; I572-L586 HydrophobicContact CG1-CB 4.34Å; I572-L586 HydrophobicContact CG1-CD1 3.89Å; I572-L666 HydrophobicContact CG2-CD1 4.38Å
573	R	85.8	Confident	88.1	Confident	81 Å²	81	33.4 Å²	33.4	31%	0.306	17%	0.165	S	C	.	.	H	α-helix	trans	-88.5	-20	176.1	-76.7	177.6	51.9	-145.4	-22.7	114.3	Q509 E569 V570 F571	Q509-R573 PolarHBondContact NE2-O 3.15Å; E569-R573 VanDerWaalsContact O-CB 3.31Å; E569-R573 WeakPolarHBondContact O-CB 3.23Å; E569-R573 WeakPolarHBondContact O-CG 3.27Å; E569-R573 PolarHBondContact O-N 3Å; V570-R573 CarbonylContact O-C 3.55Å; V570-R573 PolarHBondContact O-N 3.01Å; F571-R573 PolarHBondContact O-N 3.44Å
574	A	88.9	Confident	87.7	Confident	10 Å²	10	32.5 Å²	32.5	8%	0.083	16%	0.16	C	C	.	.	H	α-helix	trans	-84.6	-29.8	178.7	0	0	0	0	0	112.3	V502 C505 V506 V570 F571	V502-A574 HydrophobicContact CG1-CB 3.83Å; C505-A574 HydrophobicContact CB-CB 4.2Å; V506-A574 HydrophobicContact CG2-CB 3.67Å; V570-A574 WeakPolarHBondContact O-CB 3.44Å; V570-A574 PolarHBondContact O-N 3.39Å; F571-A574 PolarHBondContact O-N 3.1Å; F571-A574 VanDerWaalsContact O-N 3.1Å
575	E	89	Confident	87.3	Confident	20 Å²	20	32.8 Å²	32.8	9%	0.093	16%	0.162	C	C	.	.			trans	-121.2	93.2	-173.7	-175.4	57.8	-93.3	0	0	112.7	M432 K501 V502 F571 G577 L578	M432-E575 HydrophobicContact CE-CG 3.53Å; M432-E575 HydrophobicContact SD-CG 4.46Å; K501-E575 WeakPolarHBondContact CD-OE2 3.25Å; K501-E575 WeakPolarHBondContact CE-OE2 3.39Å; V502-E575 HydrophobicContact CG2-CB 4.35Å; F571-E575 PolarHBondContact O-N 3.01Å; F571-E575 VanDerWaalsContact O-N 3.15Å; E575-G577 PolarHBondContact O-N 3.11Å; E575-G577 WeakPolarHBondContact OE1-CA 3.13Å; E575-G577 PolarHBondContact OE1-N 3.22Å; E575-L578 HydrophobicContact CB-CD1 4.45Å; E575-L578 HydrophobicContact CB-CD2 4.39Å; E575-L578 HydrophobicContact CB-CG 4.07Å; E575-L578 HydrophobicContact CG-CD2 3.84Å; E575-L578 HydrophobicContact CG-CG 3.79Å; E575-L578 WeakPolarHBondContact O-CG 3.42Å
576	D	82.2	Confident	87.1	Confident	159 Å²	159	32.8 Å²	32.8	85%	0.85	16%	0.162	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.6	-10.2	168.8	-77.1	-47.9	0	0	0	112.7	L578	D576-L578 VanDerWaalsContact C-N 3.33Å; D576-L578 PolarHBondContact O-N 3.2Å
577	G	82.4	Confident	87	Confident	8 Å²	8	30.9 Å²	30.9	8%	0.082	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-24.7	176.9	0	0	0	0	0	114.8	R428 M432 E575	R428-G577 WeakPolarHBondContact CG-O 3.49Å; R428-G577 PolarHBondContact NE-O 3.18Å; R428-G577 PolarHBondContact NH2-O 3.35Å; M432-G577 VanDerWaalsContact SD-C 3.53Å; E575-G577 PolarHBondContact O-N 3.11Å; E575-G577 WeakPolarHBondContact OE1-CA 3.13Å; E575-G577 PolarHBondContact OE1-N 3.22Å
578	L	84.3	Confident	86.7	Confident	22 Å²	22	33.2 Å²	33.2	12%	0.115	17%	0.165	C	C	.	.			trans	-57.4	140.6	-168.6	-59.9	174.7	0	0	0	113.8	M432 F571 I572 E575 D576 V582 V583 L586	M432-L578 HydrophobicContact CE-CD2 3.97Å; M432-L578 HydrophobicContact SD-CD2 4.5Å; F571-L578 HydrophobicContact CD1-CD1 3.87Å; F571-L578 HydrophobicContact CE1-CD1 3.66Å; F571-L578 HydrophobicContact CE1-CD2 3.65Å; F571-L578 HydrophobicContact CE1-CG 4.25Å; F571-L578 HydrophobicContact CZ-CD2 4.2Å; I572-L578 HydrophobicContact CG1-CD1 4.35Å; E575-L578 HydrophobicContact CB-CD1 4.45Å; E575-L578 HydrophobicContact CB-CD2 4.39Å; E575-L578 HydrophobicContact CB-CG 4.07Å; E575-L578 HydrophobicContact CG-CD2 3.84Å; E575-L578 HydrophobicContact CG-CG 3.79Å; E575-L578 WeakPolarHBondContact O-CG 3.42Å; D576-L578 VanDerWaalsContact C-N 3.33Å; D576-L578 PolarHBondContact O-N 3.2Å; L578-V582 HydrophobicContact CD2-CG1 4.03Å; L578-V583 HydrophobicContact CB-CG2 3.63Å; L578-V583 HydrophobicContact CD1-CG2 4.09Å; L578-L586 HydrophobicContact CD1-CD1 4.38Å
579	C	83.1	Confident	86.7	Confident	11 Å²	11	33.2 Å²	33.2	7%	0.074	17%	0.165	C	C	.	.			trans	-70.8	154	172.6	106	0	0	0	0	110.5	S425 R428 E581 V582 V583	S425-C579 PolarHBondContact OG-SG 3.43Å; R428-C579 HydrophobicContact CB-CB 4.3Å; R428-C579 HydrophobicContact CG-CB 4.2Å; C579-E581 VanDerWaalsContact C-N 3.27Å; C579-E581 PolarHBondContact O-N 3.45Å; C579-E581 PolarHBondContact SG-N 3.46Å; C579-E581 VanDerWaalsContact SG-N 3.4Å; C579-V582 PolarHBondContact O-N 2.92Å; C579-V582 PolarHBondContact SG-N 3.11Å; C579-V582 VanDerWaalsContact SG-N 3.39Å; C579-V583 PolarHBondContact O-N 2.81Å; C579-V583 VanDerWaalsContact O-N 3.08Å
580	R	81.2	Confident	87	Confident	105 Å²	105	32.8 Å²	32.8	40%	0.396	16%	0.163	S	C	.	.	H	α-helix	trans	-55.3	-40.8	-178	-178.4	-179.3	175.3	173.5	-1.1	112.8	T401 Y408 V583 K584	T401-R580 PolarHBondContact OG1-NH2 3.23Å; Y408-R580 PolarHBondContact O-NH1 3.22Å; Y408-R580 PolarHBondContact O-NH2 3.23Å; R580-V583 PolarHBondContact O-N 2.98Å; R580-K584 WeakPolarHBondContact O-CG 3.43Å; R580-K584 PolarHBondContact O-N 3.09Å
581	E	80.1	Confident	87.1	Confident	23 Å²	23	31 Å²	31	11%	0.107	15%	0.152	C	C	.	.	H	α-helix	trans	-72.2	-38.2	-175.8	-55.7	-52.7	112	0	0	111.9	I399 T421 F542 C579 V583 K584 H585	I399-E581 PolarHBondContact N-OE2 2.84Å; T421-E581 HydrophobicContact CG2-CG 3.95Å; F542-E581 HydrophobicContact CE1-CB 4.47Å; C579-E581 VanDerWaalsContact C-N 3.27Å; C579-E581 PolarHBondContact O-N 3.45Å; C579-E581 PolarHBondContact SG-N 3.46Å; C579-E581 VanDerWaalsContact SG-N 3.4Å; E581-V583 VanDerWaalsContact C-N 3.32Å; E581-V583 PolarHBondContact O-N 3.27Å; E581-K584 WeakPolarHBondContact O-CB 3.21Å; E581-K584 PolarHBondContact O-N 2.86Å; E581-K584 WeakPolarHBondContact OE1-CE 3.4Å; E581-K584 IonicContact OE1-NZ 2.78Å; E581-K584 PolarHBondContact OE1-NZ 2.95Å; E581-K584 WeakPolarHBondContact OE2-CE 3.44Å; E581-K584 IonicContact OE2-NZ 2.67Å; E581-K584 PolarHBondContact OE2-NZ 2.76Å; E581-H585 PolarHBondContact O-N 3.38Å
582	V	85.8	Confident	87.1	Confident	4 Å²	4	32.4 Å²	32.4	2%	0.024	16%	0.159	C	C	.	.	H	α-helix	trans	-59.7	-42.6	169.8	170.5	0	0	0	0	111.2	V539 F542 L578 C579 K584 H585 L586	V539-V582 HydrophobicContact CB-CG1 4.41Å; V539-V582 HydrophobicContact CG1-CG1 3.81Å; V539-V582 HydrophobicContact CG2-CG1 3.87Å; F542-V582 HydrophobicContact CD1-CG2 3.86Å; F542-V582 HydrophobicContact CE1-CG2 4.02Å; L578-V582 HydrophobicContact CD2-CG1 4.03Å; C579-V582 PolarHBondContact O-N 2.92Å; C579-V582 PolarHBondContact SG-N 3.11Å; C579-V582 VanDerWaalsContact SG-N 3.39Å; V582-K584 PolarHBondContact O-N 3.22Å; V582-H585 WeakPolarHBondContact O-CB 3.48Å; V582-H585 PolarHBondContact O-N 2.94Å; V582-L586 HydrophobicContact CG1-CD1 4.27Å; V582-L586 WeakPolarHBondContact O-CG 3.47Å; V582-L586 PolarHBondContact O-N 3.28Å
583	V	86.6	Confident	87.4	Confident	44 Å²	44	31.3 Å²	31.3	27%	0.267	15%	0.153	S	C	.	.	H	α-helix	trans	-63.8	-40.7	175.6	177.3	0	0	0	0	111	I572 L578 C579 R580 E581 H585 N587	I572-V583 HydrophobicContact CG2-CG1 4.33Å; L578-V583 HydrophobicContact CB-CG2 3.63Å; L578-V583 HydrophobicContact CD1-CG2 4.09Å; C579-V583 PolarHBondContact O-N 2.81Å; C579-V583 VanDerWaalsContact O-N 3.08Å; R580-V583 PolarHBondContact O-N 2.98Å; E581-V583 VanDerWaalsContact C-N 3.32Å; E581-V583 PolarHBondContact O-N 3.27Å; V583-H585 VanDerWaalsContact C-N 3.34Å; V583-H585 PolarHBondContact O-N 3.09Å; V583-N587 PolarHBondContact O-N 3.04Å; V583-N587 PolarHBondContact O-ND2 3.41Å
584	K	83.4	Confident	87.9	Confident	21 Å²	21	27.7 Å²	27.7	9%	0.091	14%	0.14	C	C	.	.	H	α-helix	trans	-61.2	-42.8	172.8	-66.1	179.3	-170.1	166.3	0	111.8	I399 T401 R580 E581 V582 N587 Q588	I399-K584 HydrophobicContact CB-CB 3.86Å; I399-K584 HydrophobicContact CB-CD 3.89Å; I399-K584 HydrophobicContact CD1-CB 4.49Å; I399-K584 HydrophobicContact CG2-CB 3.65Å; I399-K584 HydrophobicContact CG2-CD 4.13Å; I399-K584 WeakPolarHBondContact O-CD 3.32Å; I399-K584 WeakPolarHBondContact O-CE 3.32Å; I399-K584 PolarHBondContact O-NZ 3.27Å; T401-K584 WeakPolarHBondContact OG1-CE 3.49Å; R580-K584 WeakPolarHBondContact O-CG 3.43Å; R580-K584 PolarHBondContact O-N 3.09Å; E581-K584 WeakPolarHBondContact O-CB 3.21Å; E581-K584 PolarHBondContact O-N 2.86Å; E581-K584 WeakPolarHBondContact OE1-CE 3.4Å; E581-K584 IonicContact OE1-NZ 2.78Å; E581-K584 PolarHBondContact OE1-NZ 2.95Å; E581-K584 WeakPolarHBondContact OE2-CE 3.44Å; E581-K584 IonicContact OE2-NZ 2.67Å; E581-K584 PolarHBondContact OE2-NZ 2.76Å; V582-K584 PolarHBondContact O-N 3.22Å; K584-N587 PolarHBondContact O-N 3.49Å; K584-Q588 PolarHBondContact O-N 2.62Å
585	H	87.4	Confident	88.1	Confident	7 Å²	7	27.3 Å²	27.3	3%	0.032	14%	0.136	C	C	.	.	H	α-helix	trans	-55.9	-53.7	-179.4	-169.8	46	0	0	0	111.4	I399 E538 F542 P547 E581 V582 V583 N587 Q588 I589	I399-H585 HydrophobicContact CD1-CB 3.34Å; E538-H585 IonicContact OE1-CD2 2.72Å; E538-H585 IonicContact OE1-CE1 3.47Å; E538-H585 IonicContact OE1-NE2 3.13Å; E538-H585 PolarHBondContact OE1-NE2 3.27Å; F542-H585 HydrophobicContact CD1-CB 4.39Å; F542-H585 HydrophobicContact CD2-CB 4.2Å; F542-H585 AromaticContact CD2-CD2 3.47Å; F542-H585 VanDerWaalsContact CD2-CD2 3.47Å; F542-H585 WeakPolarHBondContact CD2-CD2 3.3Å; F542-H585 AromaticContact CD2-CE1 3.62Å; F542-H585 AromaticContact CD2-CG 3.51Å; F542-H585 AromaticContact CD2-ND1 3.63Å; F542-H585 AromaticContact CD2-NE2 3.52Å; F542-H585 HydrophobicContact CE1-CB 4.37Å; F542-H585 HydrophobicContact CE2-CB 4.19Å; F542-H585 AromaticContact CE2-CG 3.88Å; F542-H585 AromaticContact CE2-ND1 3.89Å; F542-H585 HydrophobicContact CG-CB 4.31Å; F542-H585 AromaticContact CG-CD2 3.42Å; F542-H585 VanDerWaalsContact CG-CD2 3.42Å; F542-H585 WeakPolarHBondContact CG-CD2 3.38Å; F542-H585 AromaticContact CG-CG 3.79Å; F542-H585 AromaticContact CG-NE2 3.78Å; F542-H585 HydrophobicContact CZ-CB 4.29Å; P547-H585 PolarHBondContact O-CE1 3.42Å; E581-H585 PolarHBondContact O-N 3.38Å; V582-H585 WeakPolarHBondContact O-CB 3.48Å; V582-H585 PolarHBondContact O-N 2.94Å; V583-H585 VanDerWaalsContact C-N 3.34Å; V583-H585 PolarHBondContact O-N 3.09Å; H585-N587 VanDerWaalsContact C-N 3.3Å; H585-N587 PolarHBondContact O-N 3.4Å; H585-Q588 CarbonylContact O-C 3.52Å; H585-Q588 WeakPolarHBondContact O-CB 3.49Å; H585-Q588 PolarHBondContact O-N 2.98Å; H585-I589 WeakPolarHBondContact NE2-CD1 3.43Å; H585-I589 WeakPolarHBondContact O-CG1 3.33Å; H585-I589 PolarHBondContact O-N 2.93Å
586	L	90.5	Very high	88.4	Confident	0 Å²	0	28.4 Å²	28.4	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-61.7	-36.6	179	-68	176.8	0	0	0	112.4	V539 I568 F571 I572 L578 V582 I589 E590	V539-L586 HydrophobicContact CG2-CD1 3.92Å; V539-L586 HydrophobicContact CG2-CD2 4.03Å; V539-L586 HydrophobicContact CG2-CG 4.24Å; I568-L586 HydrophobicContact CG2-CB 3.94Å; F571-L586 HydrophobicContact CD1-CD1 3.64Å; F571-L586 HydrophobicContact CE1-CD1 3.84Å; I572-L586 HydrophobicContact CD1-CB 3.84Å; I572-L586 HydrophobicContact CD1-CD1 4.32Å; I572-L586 HydrophobicContact CG1-CB 4.34Å; I572-L586 HydrophobicContact CG1-CD1 3.89Å; L578-L586 HydrophobicContact CD1-CD1 4.38Å; V582-L586 HydrophobicContact CG1-CD1 4.27Å; V582-L586 WeakPolarHBondContact O-CG 3.47Å; V582-L586 PolarHBondContact O-N 3.28Å; L586-I589 PolarHBondContact O-N 3.14Å; L586-E590 PolarHBondContact O-N 3.24Å
587	N	88.9	Confident	89	Confident	31 Å²	31	21.8 Å²	21.8	17%	0.166	11%	0.105	C	C	.	.	H	α-helix	trans	-70	-35.4	172.7	-76.1	-94.1	0	0	0	112.6	P402 V583 K584 H585 I589 E590 E591	P402-N587 HydrophobicContact CG-CB 4.24Å; V583-N587 PolarHBondContact O-N 3.04Å; V583-N587 PolarHBondContact O-ND2 3.41Å; K584-N587 PolarHBondContact O-N 3.49Å; H585-N587 VanDerWaalsContact C-N 3.3Å; H585-N587 PolarHBondContact O-N 3.4Å; N587-I589 VanDerWaalsContact C-N 3.34Å; N587-E590 PolarHBondContact O-N 3.4Å; N587-E591 PolarHBondContact O-N 3.1Å
588	Q	88.7	Confident	89.6	Confident	56 Å²	56	21.4 Å²	21.4	26%	0.262	10%	0.102	S	C	.	.	H	α-helix	trans	-69.3	-33.1	174.8	-171.7	-176.6	-4.6	0	0	111.7	P402 K584 H585 Q592	P402-Q588 HydrophobicContact CG-CB 4.2Å; K584-Q588 PolarHBondContact O-N 2.62Å; H585-Q588 CarbonylContact O-C 3.52Å; H585-Q588 WeakPolarHBondContact O-CB 3.49Å; H585-Q588 PolarHBondContact O-N 2.98Å; Q588-Q592 VanDerWaalsContact O-CG 3.3Å; Q588-Q592 WeakPolarHBondContact O-CG 3.38Å; Q588-Q592 PolarHBondContact O-N 3.42Å; Q588-Q592 PolarHBondContact O-NE2 3.22Å; Q588-Q592 VanDerWaalsContact O-NE2 3.1Å
589	I	92.3	Very high	90.2	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-67	-45.9	170.2	-69.6	169.7	0	0	0	110.4	E538 F550 F564 I568 H585 L586 N587 E591 Q592 I593	E538-I589 HydrophobicContact CG-CD1 3.77Å; F550-I589 HydrophobicContact CB-CD1 3.9Å; F550-I589 HydrophobicContact CB-CG1 4.11Å; F550-I589 HydrophobicContact CD1-CB 4.44Å; F550-I589 HydrophobicContact CD1-CD1 4.4Å; F550-I589 HydrophobicContact CD1-CG1 3.87Å; F550-I589 HydrophobicContact CD1-CG2 3.97Å; F550-I589 HydrophobicContact CD2-CD1 3.79Å; F550-I589 HydrophobicContact CD2-CG1 4.11Å; F550-I589 HydrophobicContact CD2-CG2 3.89Å; F550-I589 HydrophobicContact CE1-CB 4.49Å; F550-I589 HydrophobicContact CE1-CG1 4.41Å; F550-I589 HydrophobicContact CE1-CG2 3.64Å; F550-I589 HydrophobicContact CE2-CG2 3.57Å; F550-I589 HydrophobicContact CG-CD1 3.73Å; F550-I589 HydrophobicContact CG-CG1 3.72Å; F550-I589 HydrophobicContact CG-CG2 4.1Å; F550-I589 HydrophobicContact CZ-CG2 3.44Å; F550-I589 VanDerWaalsContact CZ-CG2 3.44Å; F564-I589 HydrophobicContact CD1-CG2 4.41Å; F564-I589 HydrophobicContact CE1-CG2 3.9Å; I568-I589 HydrophobicContact CD1-CB 4.36Å; I568-I589 HydrophobicContact CD1-CG2 3.82Å; H585-I589 WeakPolarHBondContact NE2-CD1 3.43Å; H585-I589 WeakPolarHBondContact O-CG1 3.33Å; H585-I589 PolarHBondContact O-N 2.93Å; L586-I589 PolarHBondContact O-N 3.14Å; N587-I589 VanDerWaalsContact C-N 3.34Å; I589-E591 VanDerWaalsContact C-N 3.34Å; I589-E591 PolarHBondContact O-N 2.71Å; I589-Q592 PolarHBondContact O-N 2.91Å; I589-I593 HydrophobicContact CG2-CD1 3.8Å; I589-I593 HydrophobicContact CG2-CG1 4.41Å; I589-I593 VanDerWaalsContact O-CG1 3.32Å; I589-I593 WeakPolarHBondContact O-CG1 3.44Å; I589-I593 PolarHBondContact O-N 3.44Å
590	E	93.8	Very high	90.7	Very high	17 Å²	17	22.9 Å²	22.9	8%	0.079	11%	0.106	C	C	.	.	H	α-helix	trans	-57.8	-45.2	174.5	179	164.6	-92.9	0	0	111.4	I568 L586 N587 Q592 I593 L594 K842	I568-E590 HydrophobicContact CD1-CB 3.95Å; I568-E590 HydrophobicContact CG2-CB 4.33Å; L586-E590 PolarHBondContact O-N 3.24Å; N587-E590 PolarHBondContact O-N 3.4Å; E590-Q592 PolarHBondContact O-N 2.92Å; E590-I593 PolarHBondContact O-N 3.34Å; E590-L594 HydrophobicContact CG-CD1 3.65Å; E590-L594 HydrophobicContact CG-CG 4.27Å; E590-L594 WeakPolarHBondContact O-CB 3.48Å; E590-L594 WeakPolarHBondContact O-CD1 3.31Å; E590-L594 WeakPolarHBondContact O-CG 3.48Å; E590-L594 PolarHBondContact O-N 2.73Å; E590-K842 IonicContact OE1-NZ 3.45Å; E590-K842 PolarHBondContact OE1-NZ 2.84Å; E590-K842 IonicContact OE2-NZ 3.78Å; E590-K842 PolarHBondContact OE2-NZ 3.08Å
591	E	92.3	Very high	91.2	Very high	10 Å²	10	20.8 Å²	20.8	5%	0.047	11%	0.106	C	C	.	.	H	α-helix	trans	-59.6	-45.7	175.1	-73.9	-158.9	-166.2	0	0	112.4	P402 T404 N587 I589 I593 L594 D595 L846 R850	P402-E591 HydrophobicContact CB-CG 4.44Å; P402-E591 WeakPolarHBondContact CB-OE1 3.39Å; T404-E591 WeakPolarHBondContact CB-OE1 3.33Å; T404-E591 WeakPolarHBondContact CG2-OE1 3.48Å; T404-E591 PolarHBondContact N-OE1 2.86Å; T404-E591 PolarHBondContact OG1-OE1 2.88Å; N587-E591 PolarHBondContact O-N 3.1Å; I589-E591 VanDerWaalsContact C-N 3.34Å; I589-E591 PolarHBondContact O-N 2.71Å; E591-I593 VanDerWaalsContact C-N 3.3Å; E591-I593 PolarHBondContact O-N 3.11Å; E591-L594 PolarHBondContact O-N 3.49Å; E591-D595 PolarHBondContact O-N 3.04Å; E591-L846 HydrophobicContact CB-CD1 4.37Å; E591-L846 HydrophobicContact CB-CD2 4.26Å; E591-L846 HydrophobicContact CG-CD1 3.63Å; E591-L846 HydrophobicContact CG-CD2 4.24Å; E591-L846 WeakPolarHBondContact OE2-CD1 3.33Å; E591-R850 IonicContact OE2-CZ 2.74Å; E591-R850 IonicContact OE2-NE 3.4Å; E591-R850 IonicContact OE2-NH2 3.36Å; E591-R850 PolarHBondContact OE2-NH2 2.9Å
592	Q	93.4	Very high	91.8	Very high	29 Å²	29	26.1 Å²	26.1	14%	0.136	13%	0.131	C	C	.	.	H	α-helix	trans	-63.5	-32.5	178.6	-75.2	172.7	108.8	0	0	113.4	Q588 I589 E590 D595 H596 L597	Q588-Q592 VanDerWaalsContact O-CG 3.3Å; Q588-Q592 WeakPolarHBondContact O-CG 3.38Å; Q588-Q592 PolarHBondContact O-N 3.42Å; Q588-Q592 PolarHBondContact O-NE2 3.22Å; Q588-Q592 VanDerWaalsContact O-NE2 3.1Å; I589-Q592 PolarHBondContact O-N 2.91Å; E590-Q592 PolarHBondContact O-N 2.92Å; Q592-D595 VanDerWaalsContact CA-OD1 3.29Å; Q592-D595 WeakPolarHBondContact CA-OD1 3.41Å; Q592-H596 PolarHBondContact O-N 2.9Å; Q592-H596 PolarHBondContact O-ND1 3.16Å; Q592-L597 HydrophobicContact CB-CD1 4.12Å; Q592-L597 WeakPolarHBondContact O-CG 3.22Å; Q592-L597 PolarHBondContact O-N 2.98Å
593	I	95.8	Very high	92.2	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-71.8	-42.3	174.5	-63.1	166.8	0	0	0	110.5	F550 L561 F564 Y565 I568 I589 E590 E591 A598	F550-I593 HydrophobicContact CE1-CG1 4.37Å; F550-I593 HydrophobicContact CZ-CD1 3.96Å; F550-I593 HydrophobicContact CZ-CG1 4.12Å; L561-I593 HydrophobicContact CB-CD1 4.43Å; L561-I593 HydrophobicContact CB-CG1 4.24Å; L561-I593 HydrophobicContact CB-CG2 4.04Å; L561-I593 HydrophobicContact CD2-CD1 4.29Å; F564-I593 HydrophobicContact CD1-CD1 3.76Å; Y565-I593 HydrophobicContact CD1-CG2 4.42Å; I568-I593 HydrophobicContact CD1-CD1 4.31Å; I589-I593 HydrophobicContact CG2-CD1 3.8Å; I589-I593 HydrophobicContact CG2-CG1 4.41Å; I589-I593 VanDerWaalsContact O-CG1 3.32Å; I589-I593 WeakPolarHBondContact O-CG1 3.44Å; I589-I593 PolarHBondContact O-N 3.44Å; E590-I593 PolarHBondContact O-N 3.34Å; E591-I593 VanDerWaalsContact C-N 3.3Å; E591-I593 PolarHBondContact O-N 3.11Å; I593-A598 HydrophobicContact CG2-CB 3.86Å; I593-A598 WeakPolarHBondContact O-CB 3.18Å; I593-A598 PolarHBondContact O-N 3.07Å
594	L	95.4	Very high	92.5	Very high	5 Å²	5	25.6 Å²	25.6	3%	0.026	13%	0.129	C	C	.	.	H	α-helix	trans	-70.6	-30.2	-179.8	-68	166.3	0	0	0	113.5	E590 E591 W599 F839 K842 V843 L846	E590-L594 HydrophobicContact CG-CD1 3.65Å; E590-L594 HydrophobicContact CG-CG 4.27Å; E590-L594 WeakPolarHBondContact O-CB 3.48Å; E590-L594 WeakPolarHBondContact O-CD1 3.31Å; E590-L594 WeakPolarHBondContact O-CG 3.48Å; E590-L594 PolarHBondContact O-N 2.73Å; E591-L594 PolarHBondContact O-N 3.49Å; L594-W599 PolarHBondContact O-NE1 3.23Å; L594-F839 HydrophobicContact CD2-CD2 3.94Å; L594-F839 HydrophobicContact CD2-CE2 3.84Å; L594-K842 HydrophobicContact CD1-CB 3.72Å; L594-K842 HydrophobicContact CD1-CD 4.47Å; L594-K842 HydrophobicContact CD2-CB 3.57Å; L594-K842 HydrophobicContact CG-CB 4.32Å; L594-V843 HydrophobicContact CB-CG2 4.46Å; L594-V843 HydrophobicContact CD2-CG2 3.91Å; L594-L846 HydrophobicContact CB-CD2 3.68Å; L594-L846 HydrophobicContact CD1-CD2 4.26Å
595	D	93.9	Very high	93.1	Very high	2 Å²	2	24.6 Å²	24.6	1%	0.011	12%	0.124	C	C	.	.	H	α-helix	trans	-97	-25	-174.2	67.5	19	0	0	0	115.9	E591 Q592 L846 R850 H887 L888	E591-D595 PolarHBondContact O-N 3.04Å; Q592-D595 VanDerWaalsContact CA-OD1 3.29Å; Q592-D595 WeakPolarHBondContact CA-OD1 3.41Å; D595-L846 HydrophobicContact CB-CD2 4.17Å; D595-R850 IonicContact OD2-CZ 3.57Å; D595-R850 IonicContact OD2-NH1 3.46Å; D595-R850 PolarHBondContact OD2-NH1 2.83Å; D595-R850 IonicContact OD2-NH2 2.69Å; D595-R850 PolarHBondContact OD2-NH2 3.29Å; D595-H887 CarbonylContact O-C 3.57Å; D595-H887 WeakPolarHBondContact O-CA 3.27Å; D595-H887 IonicContact OD1-CD2 2.76Å; D595-H887 IonicContact OD1-NE2 3.24Å; D595-H887 IonicContact OD2-CE1 2.67Å; D595-H887 IonicContact OD2-NE2 3.8Å; D595-L888 HydrophobicContact CB-CB 3.77Å; D595-L888 HydrophobicContact CB-CD2 4.2Å; D595-L888 WeakPolarHBondContact O-CB 3.23Å; D595-L888 PolarHBondContact O-N 3.18Å
596	H	94.9	Very high	93.4	Very high	42 Å²	42	26.1 Å²	26.1	19%	0.194	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	-147.6	-41.8	170.8	65	-65.3	0	0	0	115.3	Q592 A598 W599 H887	Q592-H596 PolarHBondContact O-N 2.9Å; Q592-H596 PolarHBondContact O-ND1 3.16Å; H596-A598 VanDerWaalsContact C-N 3.35Å; H596-A598 PolarHBondContact O-N 3.16Å; H596-W599 WeakPolarHBondContact O-CB 3.48Å; H596-W599 PolarHBondContact O-N 3.34Å; H596-H887 HydrophobicContact CB-CB 4.32Å; H596-H887 AromaticContact CG-CD2 3.77Å; H596-H887 AromaticContact ND1-CD2 3.66Å; H596-H887 AromaticContact ND1-NE2 3.98Å
597	L	94.9	Very high	93.5	Very high	20 Å²	20	29.5 Å²	29.5	11%	0.105	15%	0.145	C	C	.	.	G	3₁₀ helix	trans	-70.4	-25.6	-165.9	-56.6	168.1	0	0	0	114.6	F550 L561 Q592 W599	F550-L597 HydrophobicContact CE1-CD1 3.72Å; L561-L597 HydrophobicContact CD1-CB 3.58Å; L561-L597 HydrophobicContact CD1-CD1 4.06Å; L561-L597 HydrophobicContact CD1-CG 4.34Å; Q592-L597 HydrophobicContact CB-CD1 4.12Å; Q592-L597 WeakPolarHBondContact O-CG 3.22Å; Q592-L597 PolarHBondContact O-N 2.98Å; L597-W599 PolarHBondContact O-N 3.14Å
598	A	95.8	Very high	93.6	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	15%	0.147	C	C	.	.	G	3₁₀ helix	trans	-77.3	-4.5	171.6	0	0	0	0	0	114.1	I593 H596 S603 L605 F839	I593-A598 HydrophobicContact CG2-CB 3.86Å; I593-A598 WeakPolarHBondContact O-CB 3.18Å; I593-A598 PolarHBondContact O-N 3.07Å; H596-A598 VanDerWaalsContact C-N 3.35Å; H596-A598 PolarHBondContact O-N 3.16Å; A598-S603 WeakPolarHBondContact O-CB 3.27Å; A598-S603 PolarHBondContact O-OG 2.93Å; A598-L605 VanDerWaalsContact O-CD2 3.29Å; A598-L605 WeakPolarHBondContact O-CD2 3.41Å; A598-F839 HydrophobicContact CB-CE2 3.62Å; A598-F839 HydrophobicContact CB-CZ 3.7Å
599	W	95.8	Very high	93.7	Very high	1 Å²	1	27.8 Å²	27.8	0%	0.004	14%	0.136	C	C	.	.	G	3₁₀ helix	trans	-105.2	1.4	-174.2	-55.6	94.7	0	0	0	114.1	L594 H596 L597 L605 W606 F839 F840 V843 M883 M884 D885	L594-W599 PolarHBondContact O-NE1 3.23Å; H596-W599 WeakPolarHBondContact O-CB 3.48Å; H596-W599 PolarHBondContact O-N 3.34Å; L597-W599 PolarHBondContact O-N 3.14Å; W599-L605 HydrophobicContact CD2-CD2 3.8Å; W599-L605 HydrophobicContact CE3-CD2 3.52Å; W599-L605 HydrophobicContact CG-CD2 4.47Å; W599-L605 HydrophobicContact CH2-CD2 4.29Å; W599-L605 HydrophobicContact CZ2-CD2 4.49Å; W599-L605 HydrophobicContact CZ3-CD2 3.8Å; W599-W606 HydrophobicContact CB-CZ2 4.46Å; W599-W606 AromaticContact CE3-CH2 3.99Å; W599-W606 HydrophobicContact CE3-CH2 3.99Å; W599-W606 HydrophobicContact CE3-CZ2 4.02Å; W599-W606 HydrophobicContact CZ3-CH2 4.43Å; W599-W606 WeakPolarHBondContact O-CZ2 3.32Å; W599-W606 PolarHBondContact O-NE1 2.97Å; W599-F839 AromaticContact CE2-CZ 3.94Å; W599-F839 HydrophobicContact CH2-CE1 4.01Å; W599-F839 AromaticContact CZ2-CE1 3.64Å; W599-F839 HydrophobicContact CZ2-CE1 3.64Å; W599-F839 AromaticContact CZ2-CZ 3.96Å; W599-F839 HydrophobicContact CZ2-CZ 3.96Å; W599-F840 AromaticContact CH2-CE1 3.69Å; W599-F840 HydrophobicContact CH2-CE1 3.69Å; W599-F840 AromaticContact CH2-CZ 3.75Å; W599-F840 HydrophobicContact CH2-CZ 3.75Å; W599-F840 HydrophobicContact CZ3-CE1 4.49Å; W599-F840 HydrophobicContact CZ3-CZ 4.2Å; W599-V843 HydrophobicContact CZ2-CG1 4.12Å; W599-V843 HydrophobicContact CZ2-CG2 4.01Å; W599-M883 HydrophobicContact CB-CE 4.43Å; W599-M883 WeakPolarHBondContact CB-O 3.05Å; W599-M883 HydrophobicContact CD2-CB 3.86Å; W599-M883 HydrophobicContact CD2-CE 3.68Å; W599-M883 HydrophobicContact CD2-CG 4.32Å; W599-M883 HydrophobicContact CE3-CB 3.43Å; W599-M883 VanDerWaalsContact CE3-CB 3.43Å; W599-M883 HydrophobicContact CE3-CE 4.36Å; W599-M883 HydrophobicContact CE3-CG 4.05Å; W599-M883 HydrophobicContact CG-CB 4.37Å; W599-M883 HydrophobicContact CG-CE 3.7Å; W599-M883 HydrophobicContact CH2-CG 4.28Å; W599-M883 HydrophobicContact CZ2-CE 4.18Å; W599-M883 HydrophobicContact CZ3-CB 3.8Å; W599-M883 HydrophobicContact CZ3-CG 4.03Å; W599-M884 WeakPolarHBondContact O-CA 3.37Å; W599-D885 PolarHBondContact O-N 3.42Å
600	K	93.6	Very high	93.7	Very high	63 Å²	63	33.8 Å²	33.8	27%	0.274	16%	0.159	S	C	.	.	S	Bend	trans	-59	147.8	169.5	-58.7	-170.2	-175.5	179	0	111.5	E602 S603 W606	K600-E602 VanDerWaalsContact C-N 3.26Å; K600-E602 WeakPolarHBondContact CB-OE2 3.4Å; K600-E602 WeakPolarHBondContact CD-OE1 3.14Å; K600-E602 IonicContact NZ-OE1 2.63Å; K600-E602 PolarHBondContact O-N 3.08Å; K600-S603 WeakPolarHBondContact O-CB 3.41Å; K600-S603 PolarHBondContact O-N 3.49Å; K600-W606 VanDerWaalsContact O-CD1 3.27Å; K600-W606 PolarHBondContact O-NE1 2.89Å
601	P	92.1	Very high	93.5	Very high	62 Å²	62	36.5 Å²	36.5	40%	0.403	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.7	-33.5	-177.9	-27.9	32.2	0	0	0	115.4	S603 M884 D885	P601-S603 PolarHBondContact O-N 2.86Å; P601-M884 HydrophobicContact CB-SD 4.33Å; P601-M884 HydrophobicContact CG-CG 3.86Å; P601-M884 HydrophobicContact CG-SD 4.08Å; P601-D885 WeakPolarHBondContact CD-OD1 3.27Å; P601-D885 WeakPolarHBondContact CD-OD2 3.14Å; P601-D885 WeakPolarHBondContact CG-OD2 3.28Å
602	E	91.9	Very high	93.3	Very high	135 Å²	135	39 Å²	39	63%	0.631	19%	0.188	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.5	-3.9	178	68.8	-84.9	-164.9	0	0	114.1	K600	K600-E602 VanDerWaalsContact C-N 3.26Å; K600-E602 WeakPolarHBondContact CB-OE2 3.4Å; K600-E602 WeakPolarHBondContact CD-OE1 3.14Å; K600-E602 IonicContact NZ-OE1 2.63Å; K600-E602 PolarHBondContact O-N 3.08Å
603	S	94.1	Very high	93	Very high	11 Å²	11	44.1 Å²	44.1	8%	0.077	21%	0.211	C	C	.	.			trans	-69.3	132.7	-177.7	-179.2	0	0	0	0	112.9	A598 K600 P601 L605 W606	A598-S603 WeakPolarHBondContact O-CB 3.27Å; A598-S603 PolarHBondContact O-OG 2.93Å; K600-S603 WeakPolarHBondContact O-CB 3.41Å; K600-S603 PolarHBondContact O-N 3.49Å; P601-S603 PolarHBondContact O-N 2.86Å; S603-L605 PolarHBondContact O-N 2.94Å; S603-L605 WeakPolarHBondContact OG-CB 3.15Å; S603-L605 PolarHBondContact OG-N 3.36Å; S603-W606 PolarHBondContact O-N 2.99Å; S603-W606 VanDerWaalsContact O-N 3.11Å
604	P	94.1	Very high	92.4	Very high	25 Å²	25	49.1 Å²	49.1	16%	0.162	24%	0.238	C	C	.	.	H	α-helix	trans	-58.9	-9.2	170.1	-26.1	35.7	0	0	0	115.1	P560 Y562 W606 E607 K608	P560-P604 HydrophobicContact CB-CG 3.78Å; P560-P604 HydrophobicContact CG-CG 4.27Å; Y562-P604 HydrophobicContact CD1-CB 4.14Å; P604-W606 VanDerWaalsContact C-N 3.32Å; P604-E607 PolarHBondContact O-N 3.45Å; P604-K608 PolarHBondContact O-N 2.72Å; P604-K608 VanDerWaalsContact O-N 3.11Å
605	L	94.8	Very high	91.9	Very high	0 Å²	0	56.6 Å²	56.6	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-55.3	-46.4	169	176.8	61.8	0	0	0	111.5	Y562 A598 W599 S603 E607 K608 I609 L836 F839 F840	Y562-L605 HydrophobicContact CD2-CB 3.98Å; Y562-L605 HydrophobicContact CD2-CD1 4.06Å; Y562-L605 HydrophobicContact CE2-CB 4.43Å; Y562-L605 HydrophobicContact CE2-CD1 3.76Å; Y562-L605 HydrophobicContact CG-CB 4.3Å; A598-L605 VanDerWaalsContact O-CD2 3.29Å; A598-L605 WeakPolarHBondContact O-CD2 3.41Å; W599-L605 HydrophobicContact CD2-CD2 3.8Å; W599-L605 HydrophobicContact CE3-CD2 3.52Å; W599-L605 HydrophobicContact CG-CD2 4.47Å; W599-L605 HydrophobicContact CH2-CD2 4.29Å; W599-L605 HydrophobicContact CZ2-CD2 4.49Å; W599-L605 HydrophobicContact CZ3-CD2 3.8Å; S603-L605 PolarHBondContact O-N 2.94Å; S603-L605 WeakPolarHBondContact OG-CB 3.15Å; S603-L605 PolarHBondContact OG-N 3.36Å; L605-E607 PolarHBondContact O-N 2.84Å; L605-K608 PolarHBondContact O-N 2.8Å; L605-K608 VanDerWaalsContact O-N 3.09Å; L605-I609 HydrophobicContact CD1-CD1 4.12Å; L605-I609 HydrophobicContact CD1-CG1 4.32Å; L605-I609 HydrophobicContact CG-CD1 3.94Å; L605-I609 WeakPolarHBondContact O-CG1 3.33Å; L605-I609 PolarHBondContact O-N 2.85Å; L605-L836 HydrophobicContact CD1-CD1 3.96Å; L605-F839 HydrophobicContact CD1-CD1 3.58Å; L605-F839 HydrophobicContact CD1-CE1 3.6Å; L605-F839 HydrophobicContact CD1-CG 4.29Å; L605-F839 HydrophobicContact CD1-CZ 4.33Å; L605-F839 HydrophobicContact CD2-CD1 4.35Å; L605-F839 HydrophobicContact CD2-CE1 3.5Å; L605-F839 VanDerWaalsContact CD2-CE1 3.5Å; L605-F839 HydrophobicContact CD2-CZ 3.74Å; L605-F839 HydrophobicContact CG-CE1 4.21Å; L605-F840 HydrophobicContact CD1-CE2 4.26Å
606	W	94.6	Very high	91.8	Very high	39 Å²	39	56.8 Å²	56.8	15%	0.148	27%	0.267	C	S	.	.	H	α-helix	trans	-65.8	-29.9	-178.8	-59.4	112.6	0	0	0	112.3	W599 K600 S603 P604 I609 R610 P880 M884	W599-W606 HydrophobicContact CB-CZ2 4.46Å; W599-W606 AromaticContact CE3-CH2 3.99Å; W599-W606 HydrophobicContact CE3-CH2 3.99Å; W599-W606 HydrophobicContact CE3-CZ2 4.02Å; W599-W606 HydrophobicContact CZ3-CH2 4.43Å; W599-W606 WeakPolarHBondContact O-CZ2 3.32Å; W599-W606 PolarHBondContact O-NE1 2.97Å; K600-W606 VanDerWaalsContact O-CD1 3.27Å; K600-W606 PolarHBondContact O-NE1 2.89Å; S603-W606 PolarHBondContact O-N 2.99Å; S603-W606 VanDerWaalsContact O-N 3.11Å; P604-W606 VanDerWaalsContact C-N 3.32Å; W606-I609 HydrophobicContact CE3-CD1 3.94Å; W606-I609 HydrophobicContact CZ3-CD1 4.05Å; W606-R610 VanDerWaalsContact O-CB 3.27Å; W606-R610 WeakPolarHBondContact O-CB 3.16Å; W606-R610 PolarHBondContact O-N 3.48Å; W606-P880 WeakPolarHBondContact CH2-O 3.49Å; W606-P880 HydrophobicContact CZ3-CB 4.36Å; W606-M884 HydrophobicContact CH2-CB 4.13Å; W606-M884 HydrophobicContact CZ2-CB 3.83Å; W606-M884 HydrophobicContact CZ2-CG 4.21Å
607	E	92.5	Very high	91.7	Very high	71 Å²	71	55.2 Å²	55.2	33%	0.332	26%	0.261	S	S	.	.	H	α-helix	trans	-68.7	-42.6	171.7	-52.3	-145.2	111	0	0	111.7	P604 L605 R610 D611	P604-E607 PolarHBondContact O-N 3.45Å; L605-E607 PolarHBondContact O-N 2.84Å; E607-R610 PolarHBondContact O-N 3.26Å; E607-R610 IonicContact OE1-CZ 3.62Å; E607-R610 IonicContact OE1-NH1 3.44Å; E607-R610 IonicContact OE1-NH2 2.66Å; E607-R610 PolarHBondContact OE1-NH2 3Å; E607-D611 WeakPolarHBondContact O-CB 3.28Å; E607-D611 VanDerWaalsContact O-CG 3.24Å; E607-D611 PolarHBondContact O-N 2.82Å
608	K	91.4	Very high	91.5	Very high	45 Å²	45	56.2 Å²	56.2	20%	0.196	27%	0.268	C	S	.	.	H	α-helix	trans	-75.4	-23.6	179.1	-60	-63	150	-157.8	0	113.7	Y562 P604 L605 D611 N612 A782 L836	Y562-K608 HydrophobicContact CE1-CG 4.03Å; P604-K608 PolarHBondContact O-N 2.72Å; P604-K608 VanDerWaalsContact O-N 3.11Å; L605-K608 PolarHBondContact O-N 2.8Å; L605-K608 VanDerWaalsContact O-N 3.09Å; K608-D611 WeakPolarHBondContact CD-OD2 3.44Å; K608-D611 WeakPolarHBondContact CE-OD2 3.48Å; K608-D611 IonicContact NZ-OD2 3.86Å; K608-D611 PolarHBondContact NZ-OD2 3.33Å; K608-N612 WeakPolarHBondContact O-CB 3.42Å; K608-N612 PolarHBondContact O-N 3.07Å; K608-A782 PolarHBondContact NZ-O 3.32Å; K608-A782 VanDerWaalsContact NZ-O 3.16Å; K608-L836 HydrophobicContact CB-CD1 4.19Å
609	I	91.3	Very high	91.3	Very high	6 Å²	6	56.2 Å²	56.2	3%	0.031	27%	0.268	C	S	.	.	H	α-helix	trans	-67.8	-46.4	165.5	-69	169.8	0	0	0	109.7	L605 W606 N612 N614 V616 L836 F840	L605-I609 HydrophobicContact CD1-CD1 4.12Å; L605-I609 HydrophobicContact CD1-CG1 4.32Å; L605-I609 HydrophobicContact CG-CD1 3.94Å; L605-I609 WeakPolarHBondContact O-CG1 3.33Å; L605-I609 PolarHBondContact O-N 2.85Å; W606-I609 HydrophobicContact CE3-CD1 3.94Å; W606-I609 HydrophobicContact CZ3-CD1 4.05Å; I609-N612 CarbonylContact O-C 3.57Å; I609-N612 WeakPolarHBondContact O-CA 3.19Å; I609-N612 PolarHBondContact O-N 3.39Å; I609-N614 WeakPolarHBondContact O-CA 3.41Å; I609-N614 PolarHBondContact O-N 3.15Å; I609-V616 HydrophobicContact CD1-CG2 4.45Å; I609-L836 HydrophobicContact CG1-CD1 3.89Å; I609-F840 HydrophobicContact CD1-CE2 4.41Å; I609-F840 HydrophobicContact CD1-CZ 4.29Å; I609-F840 HydrophobicContact CG1-CE2 4.41Å
610	R	91.3	Very high	90.9	Very high	126 Å²	126	62.4 Å²	62.4	48%	0.475	30%	0.297	S	S	.	.	H	α-helix	trans	-64.4	-42.7	178.6	-174.4	177.3	67.2	-117.6	5.4	113.4	W606 E607 N612 E613 N614	W606-R610 VanDerWaalsContact O-CB 3.27Å; W606-R610 WeakPolarHBondContact O-CB 3.16Å; W606-R610 PolarHBondContact O-N 3.48Å; E607-R610 PolarHBondContact O-N 3.26Å; E607-R610 IonicContact OE1-CZ 3.62Å; E607-R610 IonicContact OE1-NH1 3.44Å; E607-R610 IonicContact OE1-NH2 2.66Å; E607-R610 PolarHBondContact OE1-NH2 3Å; R610-N612 PolarHBondContact O-N 2.82Å; R610-E613 PolarHBondContact O-N 2.97Å; R610-N614 WeakPolarHBondContact CA-OD1 3.25Å
611	D	89.6	Confident	90.7	Very high	74 Å²	74	64 Å²	64	40%	0.396	31%	0.305	S	S	.	.	H	α-helix	trans	-58.1	-25.7	171.7	-72.6	-18.7	0	0	0	111.8	E607 K608 Q783	E607-D611 WeakPolarHBondContact O-CB 3.28Å; E607-D611 VanDerWaalsContact O-CG 3.24Å; E607-D611 PolarHBondContact O-N 2.82Å; K608-D611 WeakPolarHBondContact CD-OD2 3.44Å; K608-D611 WeakPolarHBondContact CE-OD2 3.48Å; K608-D611 IonicContact NZ-OD2 3.86Å; K608-D611 PolarHBondContact NZ-OD2 3.33Å; D611-Q783 PolarHBondContact OD1-NE2 3.48Å
612	N	88	Confident	90.5	Very high	64 Å²	64	61.8 Å²	61.8	34%	0.342	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.8	37.9	-179.6	-162.4	66.7	0	0	0	112.3	K608 I609 R610 N614 R615 L836	K608-N612 WeakPolarHBondContact O-CB 3.42Å; K608-N612 PolarHBondContact O-N 3.07Å; I609-N612 CarbonylContact O-C 3.57Å; I609-N612 WeakPolarHBondContact O-CA 3.19Å; I609-N612 PolarHBondContact O-N 3.39Å; R610-N612 PolarHBondContact O-N 2.82Å; N612-N614 PolarHBondContact O-N 2.77Å; N612-R615 PolarHBondContact ND2-O 3.45Å; N612-R615 WeakPolarHBondContact O-CB 3.4Å; N612-R615 PolarHBondContact O-N 2.8Å; N612-L836 HydrophobicContact CB-CD2 3.7Å
613	E	86.4	Confident	90.2	Very high	135 Å²	135	56 Å²	56	63%	0.631	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.2	26.6	-178.1	-56.3	178.9	-176.5	0	0	114.6	R610 R615	R610-E613 PolarHBondContact O-N 2.97Å; E613-R615 HydrophobicContact CB-CG 4.15Å; E613-R615 PolarHBondContact O-N 2.74Å; E613-R615 IonicContact OE2-CZ 3.67Å; E613-R615 IonicContact OE2-NE 4Å; E613-R615 PolarHBondContact OE2-NE 3.14Å; E613-R615 IonicContact OE2-NH2 3.62Å; E613-R615 PolarHBondContact OE2-NH2 2.8Å
614	N	84.6	Confident	89.4	Confident	106 Å²	106	56.1 Å²	56.1	57%	0.567	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.5	11.3	-167.5	-52.1	-59	0	0	0	114.8	I609 R610 N612	I609-N614 WeakPolarHBondContact O-CA 3.41Å; I609-N614 PolarHBondContact O-N 3.15Å; R610-N614 WeakPolarHBondContact CA-OD1 3.25Å; N612-N614 PolarHBondContact O-N 2.77Å
615	R	85.4	Confident	88.3	Confident	162 Å²	162	60.3 Å²	60.3	61%	0.611	29%	0.291	S	S	*	.	P	Polyproline II helix	trans	-81.8	127.7	177.7	-55.9	178.7	-165.7	-114.8	6.8	110.2	N612 E613	N612-R615 PolarHBondContact ND2-O 3.45Å; N612-R615 WeakPolarHBondContact O-CB 3.4Å; N612-R615 PolarHBondContact O-N 2.8Å; E613-R615 HydrophobicContact CB-CG 4.15Å; E613-R615 PolarHBondContact O-N 2.74Å; E613-R615 IonicContact OE2-CZ 3.67Å; E613-R615 IonicContact OE2-NE 4Å; E613-R615 PolarHBondContact OE2-NE 3.14Å; E613-R615 IonicContact OE2-NH2 3.62Å; E613-R615 PolarHBondContact OE2-NH2 2.8Å
616	V	90.6	Very high	87	Confident	6 Å²	6	65.1 Å²	65.1	4%	0.036	31%	0.314	C	S	.	.	P	Polyproline II helix	trans	-85.7	129	165.4	169.8	0	0	0	0	109.2	I609 F840 I876 I877 P880	I609-V616 HydrophobicContact CD1-CG2 4.45Å; V616-F840 HydrophobicContact CB-CE1 4.44Å; V616-F840 HydrophobicContact CB-CZ 4.28Å; V616-F840 HydrophobicContact CG1-CD1 3.64Å; V616-F840 HydrophobicContact CG1-CD2 4.34Å; V616-F840 HydrophobicContact CG1-CE1 3.28Å; V616-F840 HydrophobicContact CG1-CE2 4.04Å; V616-F840 HydrophobicContact CG1-CG 4.17Å; V616-F840 HydrophobicContact CG1-CZ 3.52Å; V616-F840 HydrophobicContact CG2-CE1 4.36Å; V616-F840 HydrophobicContact CG2-CE2 4.43Å; V616-F840 HydrophobicContact CG2-CZ 3.86Å; V616-I876 HydrophobicContact CG1-CG2 4.05Å; V616-I877 HydrophobicContact CB-CG1 4.46Å; V616-I877 HydrophobicContact CG1-CG1 4.12Å; V616-P880 HydrophobicContact CG2-CB 4.14Å
617	P	92.2	Very high	85.9	Confident	8 Å²	8	64.6 Å²	64.6	5%	0.052	31%	0.314	C	S	.	.	P	Polyproline II helix	trans	-62	140.1	175.6	-23.3	34.3	0	0	0	112.5	E621 V622 L836 Y844	P617-E621 WeakPolarHBondContact CA-OE2 3.5Å; P617-V622 HydrophobicContact CB-CG1 3.54Å; P617-V622 HydrophobicContact CG-CG1 4.48Å; P617-L836 HydrophobicContact CG-CD2 4.04Å; P617-L836 HydrophobicContact CG-CG 4.2Å; P617-Y844 WeakPolarHBondContact O-CE2 3.39Å; P617-Y844 PolarHBondContact O-OH 3.08Å; P617-Y844 VanDerWaalsContact O-OH 3.12Å
618	T	91.6	Very high	85.2	Confident	42 Å²	42	62.5 Å²	62.5	26%	0.258	31%	0.305	S	S	.	.	P	Polyproline II helix	trans	-72.5	164.1	177.4	84.2	0	0	0	0	112.1	E620 E621 V622 I877	T618-E620 VanDerWaalsContact C-N 3.28Å; T618-E620 PolarHBondContact O-N 3.41Å; T618-E620 PolarHBondContact OG1-N 3.07Å; T618-E621 HydrophobicContact CG2-CG 4.35Å; T618-E621 PolarHBondContact N-OE2 2.85Å; T618-E621 PolarHBondContact O-N 3.25Å; T618-E621 WeakPolarHBondContact OG1-CG 3.29Å; T618-E621 PolarHBondContact OG1-N 2.81Å; T618-E621 VanDerWaalsContact OG1-N 3.08Å; T618-V622 WeakPolarHBondContact O-CG2 3.27Å; T618-V622 PolarHBondContact O-N 3.06Å; T618-I877 HydrophobicContact CG2-CD1 4.04Å
619	C	90.8	Very high	84.4	Confident	0 Å²	0	62.3 Å²	62.3	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-59.7	-40.3	173.7	-169.1	0	0	0	0	111.7	V622 M623 Y844 W869 E873	C619-V622 PolarHBondContact O-N 3.25Å; C619-M623 VanDerWaalsContact O-CB 3.22Å; C619-M623 WeakPolarHBondContact O-CB 3.21Å; C619-M623 WeakPolarHBondContact O-CG 3.22Å; C619-M623 PolarHBondContact O-N 3.42Å; C619-Y844 HydrophobicContact CB-CD1 4.35Å; C619-Y844 HydrophobicContact CB-CD2 3.89Å; C619-Y844 HydrophobicContact CB-CE2 4.1Å; C619-Y844 HydrophobicContact CB-CG 4.04Å; C619-W869 HydrophobicContact CB-CZ2 4.3Å; C619-E873 WeakPolarHBondContact CA-OE1 3.47Å; C619-E873 WeakPolarHBondContact CB-OE1 3.36Å; C619-E873 PolarHBondContact N-OE1 3.14Å
620	E	88.7	Confident	82.9	Confident	130 Å²	130	72.5 Å²	72.5	61%	0.607	34%	0.343	S	S	*	.	H	α-helix	trans	-64.9	-40.5	175.7	-166.2	179.9	-178.3	0	0	112.2	T618 V622 L628 P1037	T618-E620 VanDerWaalsContact C-N 3.28Å; T618-E620 PolarHBondContact O-N 3.41Å; T618-E620 PolarHBondContact OG1-N 3.07Å; E620-V622 PolarHBondContact O-N 2.97Å; E620-L628 HydrophobicContact CG-CD1 4.41Å; E620-P1037 HydrophobicContact CB-CG 3.87Å; E620-P1037 HydrophobicContact CG-CG 4.21Å
621	E	88.4	Confident	80.7	Confident	98 Å²	98	70.1 Å²	70.1	46%	0.458	35%	0.35	S	S	.	.	H	α-helix	trans	-66.4	-22.4	179	-72.6	-176.2	137.6	0	0	113.7	P617 T618 R831	P617-E621 WeakPolarHBondContact CA-OE2 3.5Å; T618-E621 HydrophobicContact CG2-CG 4.35Å; T618-E621 PolarHBondContact N-OE2 2.85Å; T618-E621 PolarHBondContact O-N 3.25Å; T618-E621 WeakPolarHBondContact OG1-CG 3.29Å; T618-E621 PolarHBondContact OG1-N 2.81Å; T618-E621 VanDerWaalsContact OG1-N 3.08Å; E621-R831 VanDerWaalsContact CD-NH1 3.34Å; E621-R831 IonicContact OE1-CZ 2.81Å; E621-R831 IonicContact OE1-NH1 2.62Å; E621-R831 PolarHBondContact OE1-NH1 2.81Å; E621-R831 IonicContact OE1-NH2 3.66Å; E621-R831 PolarHBondContact OE1-NH2 3.03Å; E621-R831 IonicContact OE2-NH1 3.16Å
622	V	88.6	Confident	78.1	Confident	15 Å²	15	73.5 Å²	73.5	9%	0.091	37%	0.368	C	S	.	.	H	α-helix	trans	-111.4	-20.6	-176.3	-52.8	0	0	0	0	114.5	P617 T618 C619 E620 R841 Y844	P617-V622 HydrophobicContact CB-CG1 3.54Å; P617-V622 HydrophobicContact CG-CG1 4.48Å; T618-V622 WeakPolarHBondContact O-CG2 3.27Å; T618-V622 PolarHBondContact O-N 3.06Å; C619-V622 PolarHBondContact O-N 3.25Å; E620-V622 PolarHBondContact O-N 2.97Å; V622-R841 HydrophobicContact CB-CB 4Å; V622-R841 HydrophobicContact CG2-CB 3.81Å; V622-R841 HydrophobicContact CG2-CG 4.3Å; V622-R841 WeakPolarHBondContact O-CD 3.22Å; V622-Y844 HydrophobicContact CG2-CD2 3.84Å; V622-Y844 HydrophobicContact CG2-CE2 4.25Å
623	M	85.3	Confident	75.5	Confident	13 Å²	13	79.3 Å²	79.3	6%	0.064	39%	0.393	C	S	.	.	S	Bend	trans	-86	134.3	179.6	-73.2	-66.2	171.6	0	0	112.2	C619 L628 R841 H845 P1039	C619-M623 VanDerWaalsContact O-CB 3.22Å; C619-M623 WeakPolarHBondContact O-CB 3.21Å; C619-M623 WeakPolarHBondContact O-CG 3.22Å; C619-M623 PolarHBondContact O-N 3.42Å; M623-L628 HydrophobicContact CB-CD1 4.38Å; M623-L628 HydrophobicContact CB-CD2 3.68Å; M623-L628 HydrophobicContact CB-CG 4.04Å; M623-L628 HydrophobicContact CG-CD2 3.96Å; M623-R841 HydrophobicContact CE-CG 3.91Å; M623-R841 WeakPolarHBondContact CE-O 3.32Å; M623-R841 HydrophobicContact SD-CG 3.8Å; M623-H845 HydrophobicContact CE-CB 4.24Å; M623-P1039 HydrophobicContact CE-CB 4.39Å; M623-P1039 HydrophobicContact CE-CG 4.2Å
624	P	76.8	Confident	72.9	Confident	13 Å²	13	80.6 Å²	80.6	8%	0.084	40%	0.402	C	S	.	.			trans	-57.1	134.9	165.2	-23.7	34.5	0	0	0	110.4	Q626 N627	P624-Q626 HydrophobicContact CB-CG 3.98Å; P624-Q626 PolarHBondContact O-N 2.67Å; P624-N627 WeakPolarHBondContact O-CA 3.2Å; P624-N627 WeakPolarHBondContact O-CB 3.46Å; P624-N627 PolarHBondContact O-N 3.41Å
625	P	70.6	Confident	70.3	Confident	114 Å²	114	81.3 Å²	81.3	74%	0.74	41%	0.414	S	S	*	.	G	3₁₀ helix	trans	-57.4	-22.7	-176.9	-29.4	35.8	0	0	0	115.2	N627	P625-N627 PolarHBondContact O-N 2.74Å
626	Q	67.9	Low	67.5	Low	101 Å²	101	81.5 Å²	81.5	47%	0.472	43%	0.426	S	S	.	.	G	3₁₀ helix	trans	-73	-8.9	173.7	64.9	-176.7	10.6	0	0	114.8	P624	P624-Q626 HydrophobicContact CB-CG 3.98Å; P624-Q626 PolarHBondContact O-N 2.67Å
627	N	71.4	Confident	64.9	Low	27 Å²	27	86.5 Å²	86.5	14%	0.144	47%	0.468	C	S	.	.	G	3₁₀ helix	trans	-111.5	18.3	-178.9	-65	-9.9	0	0	0	112.2	P624 P625 R669 P1039 F1040	P624-N627 WeakPolarHBondContact O-CA 3.2Å; P624-N627 WeakPolarHBondContact O-CB 3.46Å; P624-N627 PolarHBondContact O-N 3.41Å; P625-N627 PolarHBondContact O-N 2.74Å; N627-R669 PolarHBondContact ND2-O 3.45Å; N627-R669 VanDerWaalsContact ND2-O 3.15Å; N627-P1039 CarbonylContact O-C 3.47Å; N627-P1039 WeakPolarHBondContact O-CA 3.41Å; N627-F1040 PolarHBondContact O-N 3.21Å
628	L	78.5	Confident	61.8	Low	27 Å²	27	89.3 Å²	89.3	14%	0.141	50%	0.498	C	S	.	.	B	Isolated β-bridge	trans	-116	143.7	175.6	-63.4	176.3	0	0	0	110.2	E620 M623 P1037	E620-L628 HydrophobicContact CG-CD1 4.41Å; M623-L628 HydrophobicContact CB-CD1 4.38Å; M623-L628 HydrophobicContact CB-CD2 3.68Å; M623-L628 HydrophobicContact CB-CG 4.04Å; M623-L628 HydrophobicContact CG-CD2 3.96Å; L628-P1037 HydrophobicContact CB-CB 4.43Å; L628-P1037 HydrophobicContact CD1-CB 4.05Å; L628-P1037 HydrophobicContact CD1-CG 4.14Å; L628-P1037 HydrophobicContact CD2-CB 4.12Å; L628-P1037 HydrophobicContact CD2-CG 4.39Å; L628-P1037 HydrophobicContact CG-CB 4.42Å
629	E	73.8	Confident	58.7	Low	41 Å²	41	92.5 Å²	92.5	19%	0.192	52%	0.523	C	S	.	.			trans	-74.6	125.8	172.6	-69.2	-179	-175.2	0	0	109.1	R852 R865 Y1038 F1040	E629-R852 IonicContact OE1-CZ 3.35Å; E629-R852 IonicContact OE1-NH1 3.63Å; E629-R852 PolarHBondContact OE1-NH1 3.36Å; E629-R852 IonicContact OE1-NH2 2.66Å; E629-R852 PolarHBondContact OE1-NH2 3.19Å; E629-R865 IonicContact OE2-NH2 3.9Å; E629-Y1038 PolarHBondContact N-O 3.45Å; E629-Y1038 WeakPolarHBondContact OE2-CD1 3.35Å; E629-F1040 HydrophobicContact CG-CB 3.68Å; E629-F1040 HydrophobicContact CG-CD2 3.74Å; E629-F1040 HydrophobicContact CG-CG 4.14Å
630	R	60.8	Low	55.8	Low	221 Å²	221	98.7 Å²	98.7	83%	0.834	56%	0.563	S	S	*	*			trans	-68.9	148.6	176.7	-61.8	-165.7	-164.7	117.5	0.1	110.3
631	A	43.9	Very low	53	Low	76 Å²	76	100.3 Å²	100.3	63%	0.628	58%	0.575	S	S	*	*	S	Bend	trans	-69.4	-40.8	-178.9	0	0	0	0	0	112.8
632	D	36.7	Very low	50.1	Low	145 Å²	145	101.6 Å²	101.6	78%	0.775	59%	0.589	S	S	*	*			trans	-102	97.9	-166.8	-52.4	-59.8	0	0	0	113.3
633	E	32	Very low	47.4	Very low	186 Å²	186	107 Å²	107	87%	0.869	63%	0.625	S	S	*	*			trans	-163.2	69.2	153.8	-119.9	169.9	-129.9	0	0	110.3
634	I	33.2	Very low	44.5	Very low	161 Å²	161	118.3 Å²	118.3	83%	0.826	67%	0.667	S	S	*	*			trans	-91.4	107.3	171.7	-62.5	178.1	0	0	0	109.5
635	C	30.1	Very low	42.2	Very low	121 Å²	121	128.8 Å²	128.8	82%	0.818	71%	0.705	S	S	*	*			trans	34.8	87.3	155.6	-62.9	0	0	0	0	119.6
636	I	25.1	Very low	40.1	Very low	167 Å²	167	128.5 Å²	128.5	86%	0.856	70%	0.7	S	S	*	*			trans	-131.6	136.6	136.9	-60.9	-176.1	0	0	0	108.5	G638	I636-G638 PolarHBondContact O-N 3.26Å
637	A	36.3	Very low	38.1	Very low	110 Å²	110	130.4 Å²	130.4	91%	0.909	72%	0.719	S	S	*	*			trans	-74.7	108.7	176.6	0	0	0	0	0	111.3
638	G	27.7	Very low	35.9	Very low	68 Å²	68	137 Å²	137	70%	0.701	75%	0.749	S	S	*	*			trans	-162.8	141.9	175.8	0	0	0	0	0	111.8	I636	I636-G638 PolarHBondContact O-N 3.26Å
639	S	26.7	Very low	33.3	Very low	109 Å²	109	142.5 Å²	142.5	76%	0.762	78%	0.784	S	S	*	*			trans	-75.4	136.7	-176.8	-55	0	0	0	0	112.5	L641	S639-L641 PolarHBondContact O-N 3.13Å; S639-L641 VanDerWaalsContact O-N 3.08Å
640	P	30.1	Very low	31	Very low	130 Å²	130	152 Å²	152	84%	0.844	82%	0.817	S	S	*	*			trans	-69.6	106.5	169.4	28.1	-32.6	0	0	0	110
641	L	28.4	Very low	29.3	Very low	164 Å²	164	145.7 Å²	145.7	86%	0.859	81%	0.813	S	S	*	*			trans	-63.4	138.8	174.2	-73.1	168.3	0	0	0	110.8	S639	S639-L641 PolarHBondContact O-N 3.13Å; S639-L641 VanDerWaalsContact O-N 3.08Å
642	T	28.7	Very low	28.3	Very low	125 Å²	125	149.2 Å²	149.2	77%	0.767	82%	0.821	S	S	*	*			trans	-68.1	135.5	-176.6	51.3	0	0	0	0	112.4	R644	T642-R644 PolarHBondContact O-N 3.19Å; T642-R644 VanDerWaalsContact O-N 3.1Å
643	P	30.3	Very low	27.8	Very low	129 Å²	129	148.6 Å²	148.6	84%	0.838	82%	0.823	S	S	*	*			trans	-57.9	115	168.6	-25.1	35.1	0	0	0	111.5
644	R	24.4	Very low	27.5	Very low	250 Å²	250	143.7 Å²	143.7	94%	0.943	82%	0.822	S	S	*	*			trans	-70.7	135.8	-178.9	-156.3	175.4	-175	177.2	0.4	109.7	T642	T642-R644 PolarHBondContact O-N 3.19Å; T642-R644 VanDerWaalsContact O-N 3.1Å
645	R	29.3	Very low	27	Very low	233 Å²	233	139.4 Å²	139.4	88%	0.879	82%	0.818	S	S	*	*			trans	-92.7	168.1	172.8	-79.9	-174	169.6	-171.9	-3.4	111.7
646	V	27.5	Very low	26.9	Very low	107 Å²	107	142 Å²	142	65%	0.648	82%	0.822	S	S	*	*			trans	89.3	103.7	157.4	-168.2	0	0	0	0	117.7	E648	V646-E648 HydrophobicContact CG1-CB 3.87Å
647	T	24.6	Very low	27.1	Very low	141 Å²	141	138 Å²	138	87%	0.865	82%	0.823	S	S	*	*				-156.5	120.9	112.8	30.1	0	0	0	0	105.2
648	E	26.6	Very low	26.5	Very low	166 Å²	166	144.3 Å²	144.3	78%	0.776	82%	0.823	S	S	*	*			cis	76.6	104.1	22.9	-165.6	171.9	-128.6	0	0	116.2	V646	V646-E648 HydrophobicContact CG1-CB 3.87Å
649	V	23.8	Very low	26.3	Very low	143 Å²	143	146.4 Å²	146.4	87%	0.867	83%	0.827	S	S	*	*			trans	-142.5	144.4	152.3	-178.8	0	0	0	0	108.5
650	R	25.2	Very low	26.2	Very low	239 Å²	239	149 Å²	149	90%	0.902	83%	0.831	S	S	*	*			trans	-47	162.2	171.9	-77.6	169.5	167	141.1	-6.9	114.9
651	A	24.7	Very low	26	Very low	89 Å²	89	149 Å²	149	74%	0.736	83%	0.828	S	S	*	*			cis	-152.3	179.1	-3.5	0	0	0	0	0	106.9
652	D	23.4	Very low	25.7	Very low	151 Å²	151	146.4 Å²	146.4	81%	0.807	82%	0.824	S	S	*	*			cis	-159.4	-168.7	31.9	-151.6	-13.3	0	0	0	112.7
653	T	26.2	Very low	25.7	Very low	132 Å²	132	144.6 Å²	144.6	81%	0.81	82%	0.815	S	S	*	*			trans	-72.7	140.9	-164.8	59.2	0	0	0	0	118.3
654	G	24.2	Very low	25.5	Very low	82 Å²	82	142.8 Å²	142.8	85%	0.845	80%	0.801	S	S	*	*			trans	124.6	135.8	136.6	0	0	0	0	0	118.9
655	G	23.7	Very low	26.1	Very low	72 Å²	72	135.1 Å²	135.1	74%	0.742	78%	0.782	S	S	*	*			trans	110.9	118	153.1	0	0	0	0	0	118.7
656	L	26.9	Very low	26.5	Very low	174 Å²	174	125.9 Å²	125.9	91%	0.911	75%	0.75	S	S	*	*			trans	44.4	122.4	159.7	-81.4	68.8	0	0	0	119.8
657	G	29.3	Very low	26.9	Very low	85 Å²	85	125.6 Å²	125.6	88%	0.876	74%	0.738	S	S	*	*	P	Polyproline II helix	trans	-69	136.6	175.9	0	0	0	0	0	114
658	R	24.7	Very low	27.4	Very low	241 Å²	241	122.3 Å²	122.3	91%	0.909	72%	0.715	S	S	*	*	P	Polyproline II helix	trans	-94.8	140.1	168.4	-74.5	-174.2	168.9	-160.3	-4.3	111
659	S	23.3	Very low	28.1	Very low	113 Å²	113	118.2 Å²	118.2	79%	0.79	69%	0.693	S	S	*	*	P	Polyproline II helix	trans	-61.3	137.8	179.3	-171.7	0	0	0	0	112.2
660	I	25.6	Very low	28.7	Very low	163 Å²	163	112.7 Å²	112.7	84%	0.836	66%	0.657	S	S	*	*	P	Polyproline II helix	trans	-86	125.7	168.5	-62.1	177	0	0	0	107.5
661	T	24.2	Very low	28.9	Very low	129 Å²	129	102.6 Å²	102.6	79%	0.791	62%	0.622	S	S	*	*	P	Polyproline II helix	trans	-66	142.1	-166.3	48.3	0	0	0	0	114.6
662	S	23.9	Very low	29	Very low	110 Å²	110	102.2 Å²	102.2	77%	0.769	62%	0.615	S	S	*	*	P	Polyproline II helix	trans	-56.5	156.7	176.3	-52.9	0	0	0	0	114.1
663	P	27	Very low	29.2	Very low	87 Å²	87	99.4 Å²	99.4	57%	0.565	60%	0.604	S	S	*	*	P	Polyproline II helix	trans	-73.9	134.5	-178.3	29.1	-35.2	0	0	0	114	T665	P663-T665 PolarHBondContact O-N 2.93Å
664	T	27.7	Very low	29.2	Very low	91 Å²	91	99.2 Å²	99.2	56%	0.558	61%	0.605	S	S	*	*			trans	-11.1	103.7	160.7	-57.8	0	0	0	0	116.1	D668	T664-D668 WeakPolarHBondContact CA-OD2 3.4Å; T664-D668 WeakPolarHBondContact CB-OD2 3.28Å; T664-D668 HydrophobicContact CG2-CB 3.47Å; T664-D668 VanDerWaalsContact CG2-CB 3.47Å; T664-D668 WeakPolarHBondContact CG2-OD2 3.48Å; T664-D668 PolarHBondContact OG1-OD2 2.95Å
665	T	37.2	Very low	29.5	Very low	89 Å²	89	100 Å²	100	55%	0.546	60%	0.604	S	S	.	*			trans	-88.6	-168.5	167.3	63.7	0	0	0	0	110.4	P663 Y667 D668	P663-T665 PolarHBondContact O-N 2.93Å; T665-Y667 PolarHBondContact O-N 2.89Å; T665-Y667 WeakPolarHBondContact OG1-CB 3.44Å; T665-Y667 PolarHBondContact OG1-N 3.26Å; T665-D668 PolarHBondContact O-N 3.08Å
666	L	36.2	Very low	29.6	Very low	39 Å²	39	101.8 Å²	101.8	20%	0.204	61%	0.605	C	S	.	*	H	α-helix	trans	-54.4	-32	169.2	-88.4	161.9	0	0	0	112.3	I572 D668 R669 Y670	I572-L666 HydrophobicContact CG2-CD1 4.38Å; L666-D668 VanDerWaalsContact C-N 3.34Å; L666-D668 PolarHBondContact O-N 3.3Å; L666-R669 PolarHBondContact O-N 2.94Å; L666-Y670 HydrophobicContact CD2-CD2 4.32Å; L666-Y670 HydrophobicContact CD2-CE2 4.02Å; L666-Y670 PolarHBondContact O-N 3.39Å
667	Y	37	Very low	30	Very low	101 Å²	101	100.5 Å²	100.5	40%	0.396	61%	0.605	S	S	.	*	H	α-helix	trans	-47.5	-49.5	177.7	-173.3	-102.3	0	0	0	113.2	T665 R669 Y670 S671	T665-Y667 PolarHBondContact O-N 2.89Å; T665-Y667 WeakPolarHBondContact OG1-CB 3.44Å; T665-Y667 PolarHBondContact OG1-N 3.26Å; Y667-R669 VanDerWaalsContact C-N 3.3Å; Y667-R669 PolarHBondContact O-N 2.84Å; Y667-Y670 CarbonylContact O-C 3.55Å; Y667-Y670 PolarHBondContact O-N 3.34Å; Y667-S671 VanDerWaalsContact CD2-OG 3.25Å; Y667-S671 WeakPolarHBondContact CD2-OG 3.36Å; Y667-S671 WeakPolarHBondContact CE2-OG 3.49Å; Y667-S671 WeakPolarHBondContact O-CB 3.42Å; Y667-S671 PolarHBondContact O-N 2.96Å; Y667-S671 PolarHBondContact O-OG 2.85Å
668	D	35.4	Very low	29.8	Very low	72 Å²	72	102.6 Å²	102.6	39%	0.385	60%	0.601	S	S	.	*	H	α-helix	trans	-68.3	-24.5	-177.5	-85.2	2.6	0	0	0	113.8	T664 T665 L666 Y670	T664-D668 WeakPolarHBondContact CA-OD2 3.4Å; T664-D668 WeakPolarHBondContact CB-OD2 3.28Å; T664-D668 HydrophobicContact CG2-CB 3.47Å; T664-D668 VanDerWaalsContact CG2-CB 3.47Å; T664-D668 WeakPolarHBondContact CG2-OD2 3.48Å; T664-D668 PolarHBondContact OG1-OD2 2.95Å; T665-D668 PolarHBondContact O-N 3.08Å; L666-D668 VanDerWaalsContact C-N 3.34Å; L666-D668 PolarHBondContact O-N 3.3Å; D668-Y670 VanDerWaalsContact C-N 3.29Å
669	R	40.3	Very low	30.2	Very low	80 Å²	80	102.4 Å²	102.4	30%	0.302	60%	0.6	S	S	.	*	H	α-helix	trans	-74	-25.2	173.4	-77.3	-168.3	-81.1	169.4	-4	111.8	N627 L666 Y667	N627-R669 PolarHBondContact ND2-O 3.45Å; N627-R669 VanDerWaalsContact ND2-O 3.15Å; L666-R669 PolarHBondContact O-N 2.94Å; Y667-R669 VanDerWaalsContact C-N 3.3Å; Y667-R669 PolarHBondContact O-N 2.84Å
670	Y	37.2	Very low	30.5	Very low	28 Å²	28	108.2 Å²	108.2	11%	0.11	61%	0.605	C	S	.	*	H	α-helix	trans	-129	10.5	-164.9	-68.1	-39.7	0	0	0	114.8	L666 Y667 D668 R841 H845	L666-Y670 HydrophobicContact CD2-CD2 4.32Å; L666-Y670 HydrophobicContact CD2-CE2 4.02Å; L666-Y670 PolarHBondContact O-N 3.39Å; Y667-Y670 CarbonylContact O-C 3.55Å; Y667-Y670 PolarHBondContact O-N 3.34Å; D668-Y670 VanDerWaalsContact C-N 3.29Å; Y670-R841 PolarHBondContact O-NH1 3.31Å; Y670-R841 PolarHBondContact O-NH2 3.36Å; Y670-H845 PolarHBondContact OH-CD2 3.35Å
671	S	29.8	Very low	30.9	Very low	26 Å²	26	109.2 Å²	109.2	18%	0.182	60%	0.598	C	S	.	*	S	Bend	trans	-110.4	150.8	175.6	-58.5	0	0	0	0	112.1	Y667	Y667-S671 VanDerWaalsContact CD2-OG 3.25Å; Y667-S671 WeakPolarHBondContact CD2-OG 3.36Å; Y667-S671 WeakPolarHBondContact CE2-OG 3.49Å; Y667-S671 WeakPolarHBondContact O-CB 3.42Å; Y667-S671 PolarHBondContact O-N 2.96Å; Y667-S671 PolarHBondContact O-OG 2.85Å
672	S	26.2	Very low	31.1	Very low	82 Å²	82	110.5 Å²	110.5	57%	0.573	60%	0.599	S	S	*	*	P	Polyproline II helix	trans	-69	149.9	167.2	-55.5	0	0	0	0	110.2
673	P	26.7	Very low	31.4	Very low	91 Å²	91	113.6 Å²	113.6	59%	0.591	60%	0.599	S	S	*	*	P	Polyproline II helix	trans	-61	140.9	180	-23	33.8	0	0	0	112.5	A675	P673-A675 PolarHBondContact O-N 2.89Å
674	P	27.7	Very low	31.5	Very low	128 Å²	128	115.8 Å²	115.8	83%	0.831	61%	0.611	S	S	*	*	P	Polyproline II helix	trans	-67.7	120.7	171	28.1	-32.9	0	0	0	109.8
675	A	28.6	Very low	31.5	Very low	99 Å²	99	116.3 Å²	116.3	82%	0.818	61%	0.606	S	S	*	*	P	Polyproline II helix	trans	-65.4	141.3	176.6	0	0	0	0	0	111.1	P673	P673-A675 PolarHBondContact O-N 2.89Å
676	S	26.5	Very low	31	Very low	109 Å²	109	119.5 Å²	119.5	76%	0.762	62%	0.62	S	S	*	*	P	Polyproline II helix	trans	-65	154.8	177.6	51.7	0	0	0	0	112.1	T678	S676-T678 PolarHBondContact O-N 2.96Å
677	T	35.4	Very low	30.5	Very low	148 Å²	148	124.4 Å²	124.4	91%	0.908	65%	0.647	S	S	*	*	S	Bend	trans	-68.3	89.8	-167.1	49.7	0	0	0	0	114.5
678	T	25.5	Very low	29.9	Very low	128 Å²	128	125 Å²	125	79%	0.785	67%	0.665	S	S	*	*			trans	-140.3	129	159.8	-53.7	0	0	0	0	109.6	S676 R680	S676-T678 PolarHBondContact O-N 2.96Å; T678-R680 PolarHBondContact O-N 3.31Å; T678-R680 VanDerWaalsContact O-N 3.17Å
679	R	33.8	Very low	29.8	Very low	237 Å²	237	127.7 Å²	127.7	89%	0.894	69%	0.687	S	S	*	*			trans	-68	108.5	-172.1	-78.2	179.6	167.2	-179.1	-4.7	113.5
680	R	27.8	Very low	29.1	Very low	236 Å²	236	129.6 Å²	129.6	89%	0.891	71%	0.713	S	S	*	*			trans	-146	87.6	151.4	-64.3	-172.3	-179.1	171.5	0.3	107.5	T678	T678-R680 PolarHBondContact O-N 3.31Å; T678-R680 VanDerWaalsContact O-N 3.17Å
681	R	35.8	Very low	28.5	Very low	183 Å²	183	135.9 Å²	135.9	69%	0.691	75%	0.748	S	S	*	*				44.3	115.8	92.5	-75.6	-171.3	168.2	178.9	-11.9	112.8	E685	R681-E685 IonicContact CZ-OE1 3.29Å; R681-E685 IonicContact CZ-OE2 3.66Å; R681-E685 VanDerWaalsContact CZ-OE2 3.28Å; R681-E685 IonicContact NE-OE1 3.88Å; R681-E685 IonicContact NE-OE2 2.74Å; R681-E685 IonicContact NH1-OE1 2.8Å; R681-E685 PolarHBondContact NH1-OE1 3Å; R681-E685 IonicContact NH1-OE2 3.88Å; R681-E685 PolarHBondContact NH1-OE2 3.31Å; R681-E685 IonicContact NH2-OE1 3.33Å; R681-E685 PolarHBondContact NH2-OE1 3.48Å
682	L	26.9	Very low	28.5	Very low	156 Å²	156	138.1 Å²	138.1	82%	0.817	78%	0.775	S	S	*	*	S	Bend	trans	-107.6	6.9	-177.9	-114.5	171.5	0	0	0	113.5
683	F	30.7	Very low	28.5	Very low	176 Å²	176	138 Å²	138	77%	0.772	79%	0.787	S	S	*	*	S	Bend	trans	-127.7	148.5	173.3	-61.7	-79.2	0	0	0	108.6
684	V	29.7	Very low	28.5	Very low	133 Å²	133	140.6 Å²	140.6	81%	0.806	80%	0.801	S	S	*	*			trans	-93.6	122.2	172.6	174.1	0	0	0	0	107.5
685	E	26.3	Very low	28.6	Very low	101 Å²	101	140.7 Å²	140.7	47%	0.472	80%	0.802	S	S	.	*			trans	-70.9	127.7	165.1	-73.8	136.5	130	0	0	109.1	R681	R681-E685 IonicContact CZ-OE1 3.29Å; R681-E685 IonicContact CZ-OE2 3.66Å; R681-E685 VanDerWaalsContact CZ-OE2 3.28Å; R681-E685 IonicContact NE-OE1 3.88Å; R681-E685 IonicContact NE-OE2 2.74Å; R681-E685 IonicContact NH1-OE1 2.8Å; R681-E685 PolarHBondContact NH1-OE1 3Å; R681-E685 IonicContact NH1-OE2 3.88Å; R681-E685 PolarHBondContact NH1-OE2 3.31Å; R681-E685 IonicContact NH2-OE1 3.33Å; R681-E685 PolarHBondContact NH2-OE1 3.48Å
686	N	27.7	Very low	28.4	Very low	157 Å²	157	139.6 Å²	139.6	84%	0.84	80%	0.801	S	S	*	*			trans	-101.9	95.9	155.4	-92.1	3.4	0	0	0	106.5
687	D	24.6	Very low	28.2	Very low	141 Å²	141	146.3 Å²	146.3	75%	0.754	81%	0.809	S	S	*	*			trans	-77	151.8	170.6	-80.3	-36.2	0	0	0	111.3
688	S	24.6	Very low	27.6	Very low	113 Å²	113	147.3 Å²	147.3	79%	0.79	81%	0.806	S	S	*	*			trans	-143.1	146.2	161	-71.2	0	0	0	0	108
689	P	33.2	Very low	27.9	Very low	130 Å²	130	146.3 Å²	146.3	84%	0.844	80%	0.801	S	S	*	*			trans	-90.2	148.1	-140	32.5	-37.6	0	0	0	115.3
690	S	26.3	Very low	27.9	Very low	119 Å²	119	140.7 Å²	140.7	83%	0.832	80%	0.795	S	S	*	*			trans	-154	107.8	152.3	-171.5	0	0	0	0	112.9
691	D	25.7	Very low	27.7	Very low	160 Å²	160	137.8 Å²	137.8	86%	0.856	79%	0.792	S	S	*	*			trans	24.2	138.5	145.8	-139.8	-6.9	0	0	0	124.7
692	G	28.1	Very low	27.6	Very low	73 Å²	73	134.1 Å²	134.1	75%	0.753	79%	0.792	S	S	*	*			trans	67.9	109.6	130.1	0	0	0	0	0	123
693	G	26.1	Very low	27.5	Very low	79 Å²	79	134.1 Å²	134.1	81%	0.814	79%	0.792	S	S	*	*			trans	160.1	116.9	154.1	0	0	0	0	0	117.1
694	T	28.7	Very low	27.1	Very low	146 Å²	146	131.5 Å²	131.5	90%	0.896	79%	0.79	S	S	*	*			trans	-96.1	140.2	176.5	47.2	0	0	0	0	113.4
695	P	29.5	Very low	26.8	Very low	130 Å²	130	132.5 Å²	132.5	84%	0.844	79%	0.791	S	S	*	*			trans	-104.1	135.1	164.3	35	-28.6	0	0	0	112.2
696	G	23.2	Very low	26.6	Very low	77 Å²	77	132.4 Å²	132.4	79%	0.794	81%	0.807	S	S	*	*			trans	-124.8	132.4	179.4	0	0	0	0	0	114.2
697	R	23.5	Very low	26.5	Very low	250 Å²	250	131.5 Å²	131.5	94%	0.943	81%	0.807	S	S	*	*			trans	43.4	107.3	156.8	-98.7	179.9	172.6	172.5	-3.1	120.7
698	M	21.4	Very low	26.9	Very low	169 Å²	169	130 Å²	130	83%	0.833	81%	0.805	S	S	*	*				-11.5	162.8	120.5	-75.1	-115.5	-64.3	0	0	118.5
699	P	32	Very low	26.9	Very low	106 Å²	106	130.2 Å²	130.2	69%	0.688	80%	0.801	S	S	*	*			cis	-134.2	-145.4	-6.8	41.7	-20.5	0	0	0	110.7
700	P	34.1	Very low	26.5	Very low	119 Å²	119	131.8 Å²	131.8	77%	0.773	80%	0.798	S	S	*	*			cis	-129.1	-165.2	-18	36	-14	0	0	0	115.3
701	Q	24	Very low	26.3	Very low	176 Å²	176	132.3 Å²	132.3	82%	0.822	79%	0.791	S	S	*	*			trans	-80.6	-167	-179.3	-53.6	-175.9	-17.6	0	0	112.7
702	P	33.6	Very low	26.2	Very low	105 Å²	105	130.7 Å²	130.7	68%	0.682	79%	0.786	S	S	*	*			cis	-153.3	176.4	8.3	47.9	-27.3	0	0	0	121.6
703	L	24.4	Very low	26.1	Very low	157 Å²	157	133.1 Å²	133.1	82%	0.822	79%	0.792	S	S	*	*			trans	82.1	148.9	135.2	-125	72.8	0	0	0	125.5
704	V	23.5	Very low	26	Very low	121 Å²	121	132.5 Å²	132.5	73%	0.733	79%	0.786	S	S	*	*			trans	97.9	132.4	154.7	-161.6	0	0	0	0	120.6
705	N	23.1	Very low	25.7	Very low	154 Å²	154	134.5 Å²	134.5	82%	0.824	79%	0.785	S	S	*	*			trans	-62.5	156.8	177.1	-33.3	-42.2	0	0	0	115.2
706	A	22.2	Very low	25.6	Very low	99 Å²	99	133.4 Å²	133.4	82%	0.818	78%	0.777	S	S	*	*				-173.2	154.9	124.7	0	0	0	0	0	113.7
707	V	25.7	Very low	25.7	Very low	138 Å²	138	135.5 Å²	135.5	84%	0.836	78%	0.775	S	S	*	*			trans	-145	132.6	163.4	-174.8	0	0	0	0	102.7
708	P	33.3	Very low	25.8	Very low	109 Å²	109	128.7 Å²	128.7	71%	0.708	77%	0.766	S	S	*	*				-161.2	178.2	63.2	44.3	-21.7	0	0	0	120
709	V	24.1	Very low	26	Very low	118 Å²	118	127.1 Å²	127.1	72%	0.715	77%	0.765	S	S	*	*			trans	56.4	151.9	158.1	-107.4	0	0	0	0	124.9
710	Q	23.6	Very low	26	Very low	163 Å²	163	127.6 Å²	127.6	76%	0.762	77%	0.766	S	S	*	*			trans	75.6	143.1	147.3	-77.8	171.1	-2.3	0	0	119.3
711	N	23.2	Very low	25.8	Very low	130 Å²	130	127.5 Å²	127.5	70%	0.695	77%	0.766	S	S	*	*			cis	-158.1	150.9	-10	-133.7	13.4	0	0	0	115.1
712	V	24	Very low	26.1	Very low	125 Å²	125	125.3 Å²	125.3	76%	0.758	76%	0.764	S	S	*	*			trans	29.3	123.5	142.3	176.7	0	0	0	0	122
713	S	24.2	Very low	26.2	Very low	125 Å²	125	126.4 Å²	126.4	87%	0.874	77%	0.771	S	S	*	*				-175.6	140.3	123.4	-170.7	0	0	0	0	109.4
714	G	24.2	Very low	27.2	Very low	66 Å²	66	122.4 Å²	122.4	68%	0.68	77%	0.767	S	S	*	*			cis	-175.8	153.9	-5.3	0	0	0	0	0	110.4
715	E	22.5	Very low	27.8	Very low	188 Å²	188	125.3 Å²	125.3	88%	0.879	77%	0.773	S	S	*	*			trans	-70.2	169.8	171.1	-107.5	-163.7	164	0	0	111.6
716	P	28.2	Very low	28.7	Very low	106 Å²	106	123.9 Å²	123.9	69%	0.688	77%	0.77	S	S	*	*			cis	-147.5	-172.4	30.5	38.9	-15.5	0	0	0	118.3
717	V	24	Very low	29.3	Very low	121 Å²	121	125.8 Å²	125.8	73%	0.733	77%	0.766	S	S	*	*			trans	79.3	117	159.3	-173.2	0	0	0	0	119.2
718	S	26.2	Very low	30.1	Very low	108 Å²	108	123.3 Å²	123.3	76%	0.755	75%	0.751	S	S	*	*			trans	-80.3	145.3	161.7	54.6	0	0	0	0	113
719	V	26.8	Very low	30.7	Very low	135 Å²	135	122.7 Å²	122.7	82%	0.818	75%	0.745	S	S	*	*			trans	-124.1	125.2	166.5	-178	0	0	0	0	110.5
720	T	31.6	Very low	31.6	Very low	116 Å²	116	123.2 Å²	123.2	71%	0.712	74%	0.741	S	S	*	*	P	Polyproline II helix	trans	-81.3	142	179.1	-27.6	0	0	0	0	111.4
721	P	29.8	Very low	32.7	Very low	118 Å²	118	117.7 Å²	117.7	77%	0.766	72%	0.723	S	S	*	*	P	Polyproline II helix	trans	-62.7	139.8	161.8	-20.5	33.5	0	0	0	111.2
722	V	30.4	Very low	33.9	Very low	129 Å²	129	115.9 Å²	115.9	78%	0.782	72%	0.717	S	S	*	*	P	Polyproline II helix	trans	-84.6	142.4	-176.4	179.3	0	0	0	0	110.8	G724	V722-G724 PolarHBondContact O-N 3.39Å
723	P	35.6	Very low	34.9	Very low	129 Å²	129	112 Å²	112	84%	0.838	70%	0.699	S	S	*	*	S	Bend	trans	-69.8	124.9	172.9	-10.8	26.1	0	0	0	110.5
724	G	44.6	Very low	36.1	Very low	72 Å²	72	110.2 Å²	110.2	74%	0.742	68%	0.683	S	S	*	*			trans	172	-10.6	176.5	0	0	0	0	0	119	V722	V722-G724 PolarHBondContact O-N 3.39Å
725	Q	37.4	Very low	37.3	Very low	182 Å²	182	111.2 Å²	111.2	85%	0.85	68%	0.675	S	S	*	*			trans	-96.6	113.2	-179.9	-70.6	-175.5	-16.4	0	0	112.1	L727	Q725-L727 PolarHBondContact O-N 3.21Å
726	T	41.2	Very low	38.6	Very low	124 Å²	124	106.7 Å²	106.7	76%	0.761	66%	0.661	S	S	*	*			trans	-79.6	109.4	179.7	-54.2	0	0	0	0	111.3	V728	T726-V728 PolarHBondContact O-N 2.76Å
727	L	35.9	Very low	39.8	Very low	140 Å²	140	103.6 Å²	103.6	73%	0.733	64%	0.644	S	S	*	*			trans	-76.2	91.5	174.5	-159.3	164.3	0	0	0	109.9	Q725 T729	Q725-L727 PolarHBondContact O-N 3.21Å; L727-T729 PolarHBondContact O-N 2.98Å; L727-T729 PolarHBondContact O-OG1 3.43Å; L727-T729 VanDerWaalsContact O-OG1 3.08Å
728	V	41.6	Very low	40.8	Very low	85 Å²	85	106.4 Å²	106.4	52%	0.515	66%	0.655	S	S	.	*			trans	-62.6	105	-179.1	-177.7	0	0	0	0	109.9	T726	T726-V728 PolarHBondContact O-N 2.76Å
729	T	45.3	Very low	41.8	Very low	96 Å²	96	106.4 Å²	106.4	59%	0.589	65%	0.646	S	S	*	*			trans	-97.1	128.7	-175.5	-61.4	0	0	0	0	109.9	L727	L727-T729 PolarHBondContact O-N 2.98Å; L727-T729 PolarHBondContact O-OG1 3.43Å; L727-T729 VanDerWaalsContact O-OG1 3.08Å
730	M	44.2	Very low	43.1	Very low	130 Å²	130	102.8 Å²	102.8	64%	0.64	64%	0.637	S	S	*	*			trans	63.2	83	-179.4	-59.8	-66	-165.9	0	0	115.7	P746	M730-P746 HydrophobicContact CE-CB 4.41Å; M730-P746 HydrophobicContact SD-CB 3.48Å; M730-P746 WeakPolarHBondContact SD-CB 3.35Å
731	A	46.3	Very low	43.7	Very low	46 Å²	46	103.4 Å²	103.4	38%	0.38	63%	0.631	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-88.8	129	149.6	0	0	0	0	0	108.5	V747	A731-V747 PolarHBondContact O-N 2.98Å
732	T	47.3	Very low	44.8	Very low	92 Å²	92	101.9 Å²	101.9	56%	0.564	62%	0.62	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-105.9	114.2	-178.5	56.5	0	0	0	0	110.8	I745	T732-I745 WeakPolarHBondContact CA-O 3.48Å
733	A	46.4	Very low	45.4	Very low	45 Å²	45	99.9 Å²	99.9	37%	0.372	61%	0.608	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-89.3	117.3	178	0	0	0	0	0	110.3	T744 I745 V747	A733-T744 WeakPolarHBondContact O-CA 3.37Å; A733-I745 PolarHBondContact N-O 3.36Å; A733-I745 PolarHBondContact O-N 3.17Å; A733-V747 HydrophobicContact CB-CG2 3.88Å
734	T	48.2	Very low	45.8	Very low	87 Å²	87	97.6 Å²	97.6	53%	0.534	59%	0.591	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-84.4	113.2	175	-34.9	0	0	0	0	109.9	T742 T744	T734-T742 HydrophobicContact CG2-CG2 3.8Å; T734-T744 HydrophobicContact CG2-CG2 4.33Å
735	V	49.5	Very low	45.9	Very low	86 Å²	86	98.3 Å²	98.3	52%	0.521	58%	0.578	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-103.6	119.2	174.6	-176.6	0	0	0	0	108.9	V743	V735-V743 PolarHBondContact N-O 3.37Å; V735-V743 PolarHBondContact O-N 2.89Å
736	T	49.6	Very low	46.1	Very low	94 Å²	94	93.4 Å²	93.4	58%	0.577	56%	0.561	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-85.5	115	172.7	-46.5	0	0	0	0	109.2	T742	T736-T742 HydrophobicContact CG2-CG2 4.04Å; T736-T742 VanDerWaalsContact OG1-CG2 3.26Å; T736-T742 WeakPolarHBondContact OG1-CG2 3.48Å
737	A	54	Low	46.6	Very low	41 Å²	41	89.6 Å²	89.6	34%	0.339	54%	0.538	S	S	.	.			trans	-70.1	154.6	169.7	0	0	0	0	0	110.7	N739 G740 Q741	A737-N739 VanDerWaalsContact CB-OD1 3.27Å; A737-N739 WeakPolarHBondContact CB-OD1 3.44Å; A737-N739 PolarHBondContact O-N 2.84Å; A737-G740 PolarHBondContact O-N 3.46Å; A737-Q741 PolarHBondContact N-O 3.42Å
738	N	44.4	Very low	47.2	Very low	179 Å²	179	90.1 Å²	90.1	96%	0.957	54%	0.536	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.6	-1.4	-177.7	55.8	-15.8	0	0	0	114.8
739	N	48.8	Very low	47.8	Very low	108 Å²	108	87 Å²	87	58%	0.578	52%	0.522	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92	5.2	166.7	69.3	-11.7	0	0	0	113.6	A737 Q741	A737-N739 VanDerWaalsContact CB-OD1 3.27Å; A737-N739 WeakPolarHBondContact CB-OD1 3.44Å; A737-N739 PolarHBondContact O-N 2.84Å; N739-Q741 PolarHBondContact ND2-OE1 2.75Å; N739-Q741 VanDerWaalsContact OD1-CB 3.28Å; N739-Q741 WeakPolarHBondContact OD1-CB 3.2Å; N739-Q741 PolarHBondContact OD1-N 3.24Å; N739-Q741 VanDerWaalsContact OD1-N 3.1Å
740	G	53.3	Low	48.3	Very low	60 Å²	60	87.9 Å²	87.9	62%	0.619	52%	0.522	S	S	*	.	S	Bend	trans	86.6	0.3	-178.9	0	0	0	0	0	115.1	A737	A737-G740 PolarHBondContact O-N 3.46Å
741	Q	43.7	Very low	48.7	Very low	128 Å²	128	84.5 Å²	84.5	60%	0.598	51%	0.514	S	S	*	.			trans	-90.3	121.3	-176.7	-145.9	169.2	10	0	0	110.9	A737 N739	A737-Q741 PolarHBondContact N-O 3.42Å; N739-Q741 PolarHBondContact ND2-OE1 2.75Å; N739-Q741 VanDerWaalsContact OD1-CB 3.28Å; N739-Q741 WeakPolarHBondContact OD1-CB 3.2Å; N739-Q741 PolarHBondContact OD1-N 3.24Å; N739-Q741 VanDerWaalsContact OD1-N 3.1Å
742	T	53	Low	49.1	Very low	86 Å²	86	85.9 Å²	85.9	53%	0.528	52%	0.515	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	132.5	175.7	30.7	0	0	0	0	111.7	T734 T736	T734-T742 HydrophobicContact CG2-CG2 3.8Å; T736-T742 HydrophobicContact CG2-CG2 4.04Å; T736-T742 VanDerWaalsContact OG1-CG2 3.26Å; T736-T742 WeakPolarHBondContact OG1-CG2 3.48Å
743	V	43.7	Very low	49.4	Very low	87 Å²	87	90.4 Å²	90.4	53%	0.527	53%	0.53	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	127.2	173.2	-178.8	0	0	0	0	109.2	V735 I745	V735-V743 PolarHBondContact N-O 3.37Å; V735-V743 PolarHBondContact O-N 2.89Å; V743-I745 HydrophobicContact CG1-CG1 4.35Å
744	T	43.1	Very low	49.5	Very low	81 Å²	81	95.9 Å²	95.9	50%	0.497	55%	0.553	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-95.7	120.2	179.3	-13	0	0	0	0	110.4	A733 T734	A733-T744 WeakPolarHBondContact O-CA 3.37Å; T734-T744 HydrophobicContact CG2-CG2 4.33Å
745	I	46.5	Very low	49.5	Very low	88 Å²	88	95 Å²	95	45%	0.451	56%	0.562	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-110.4	128.4	-177.5	-54.1	178.7	0	0	0	109.2	T732 A733 V743	T732-I745 WeakPolarHBondContact CA-O 3.48Å; A733-I745 PolarHBondContact N-O 3.36Å; A733-I745 PolarHBondContact O-N 3.17Å; V743-I745 HydrophobicContact CG1-CG1 4.35Å
746	P	42.7	Very low	49.1	Very low	78 Å²	78	92.4 Å²	92.4	51%	0.506	55%	0.552	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-72.4	133.5	173.6	29.8	-33.2	0	0	0	110.6	M730	M730-P746 HydrophobicContact CE-CB 4.41Å; M730-P746 HydrophobicContact SD-CB 3.48Å; M730-P746 WeakPolarHBondContact SD-CB 3.35Å
747	V	52.3	Low	49.6	Very low	45 Å²	45	92.4 Å²	92.4	27%	0.273	55%	0.547	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	136.5	179.6	-153.2	0	0	0	0	109.8	A731 A733 F759	A731-V747 PolarHBondContact O-N 2.98Å; A733-V747 HydrophobicContact CB-CG2 3.88Å; V747-F759 HydrophobicContact CB-CD1 4.31Å; V747-F759 HydrophobicContact CB-CE1 4.3Å; V747-F759 HydrophobicContact CG1-CD1 3.67Å; V747-F759 HydrophobicContact CG1-CE1 4.15Å
748	Q	47.1	Very low	49.2	Very low	150 Å²	150	93.8 Å²	93.8	70%	0.701	55%	0.552	S	S	*	*			trans	-99.1	141.1	169.1	-73.4	-177.7	-25.5	0	0	110.1
749	G	54.3	Low	49.3	Very low	20 Å²	20	90.1 Å²	90.1	21%	0.206	53%	0.528	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.5	158.7	176.8	0	0	0	0	0	110.5	T758	G749-T758 CarbonylContact C-O 3.55Å; G749-T758 WeakPolarHBondContact CA-O 3.45Å
750	I	56.4	Low	49	Very low	114 Å²	114	91.8 Å²	91.8	59%	0.585	53%	0.53	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-109.5	124.6	-180	-58.1	176.5	0	0	0	108.1	T758 F760	I750-T758 PolarHBondContact N-O 3.35Å; I750-T758 PolarHBondContact O-N 2.68Å; I750-F760 HydrophobicContact CD1-CE2 4.44Å
751	A	51.6	Low	48.1	Very low	59 Å²	59	94.8 Å²	94.8	49%	0.488	54%	0.539	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	133.6	172.9	0	0	0	0	0	110.2	G756 I757	A751-G756 CarbonylContact C-O 3.6Å; A751-G756 WeakPolarHBondContact CA-O 3.39Å; A751-I757 HydrophobicContact CB-CG1 4.34Å
752	N	55.4	Low	47.8	Very low	75 Å²	75	94.8 Å²	94.8	40%	0.401	55%	0.547	S	S	.	.			trans	-93.5	161.7	171.4	63.3	54	0	0	0	111.2	N754 G755 G756	N752-N754 PolarHBondContact O-N 3.04Å; N752-N754 PolarHBondContact OD1-N 3.31Å; N752-G755 PolarHBondContact O-N 3.03Å; N752-G756 VanDerWaalsContact CG-O 3.25Å; N752-G756 PolarHBondContact N-O 2.9Å; N752-G756 PolarHBondContact ND2-O 3.18Å; N752-G756 PolarHBondContact OD1-N 3.22Å; N752-G756 PolarHBondContact OD1-O 3.08Å
753	E	54.2	Low	46.8	Very low	187 Å²	187	100 Å²	100	87%	0.874	57%	0.566	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.4	-16.7	-171.4	-64.7	170.4	-137.4	0	0	113.8
754	N	47.2	Very low	46.1	Very low	160 Å²	160	101.6 Å²	101.6	86%	0.856	58%	0.575	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.6	10.7	177.5	-64.7	9.9	0	0	0	113.1	N752	N752-N754 PolarHBondContact O-N 3.04Å; N752-N754 PolarHBondContact OD1-N 3.31Å
755	G	49.3	Very low	45.4	Very low	70 Å²	70	105.7 Å²	105.7	72%	0.722	59%	0.594	S	S	*	*	S	Bend	trans	84.9	6.5	174.4	0	0	0	0	0	115.8	N752	N752-G755 PolarHBondContact O-N 3.03Å
756	G	41.5	Very low	44.6	Very low	30 Å²	30	107.8 Å²	107.8	31%	0.309	61%	0.611	S	S	.	*			trans	-85.8	150.2	170.8	0	0	0	0	0	112	A751 N752	A751-G756 CarbonylContact C-O 3.6Å; A751-G756 WeakPolarHBondContact CA-O 3.39Å; N752-G756 VanDerWaalsContact CG-O 3.25Å; N752-G756 PolarHBondContact N-O 2.9Å; N752-G756 PolarHBondContact ND2-O 3.18Å; N752-G756 PolarHBondContact OD1-N 3.22Å; N752-G756 PolarHBondContact OD1-O 3.08Å
757	I	58.7	Low	43.9	Very low	94 Å²	94	107.9 Å²	107.9	48%	0.482	63%	0.625	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-111.1	126.5	174.1	-55.2	176.7	0	0	0	109.5	A751 F759	A751-I757 HydrophobicContact CB-CG1 4.34Å; I757-F759 HydrophobicContact CB-CE2 3.96Å; I757-F759 HydrophobicContact CB-CZ 4.13Å; I757-F759 HydrophobicContact CG2-CD1 4.46Å; I757-F759 HydrophobicContact CG2-CD2 4.25Å; I757-F759 HydrophobicContact CG2-CE1 3.94Å; I757-F759 HydrophobicContact CG2-CE2 3.69Å; I757-F759 HydrophobicContact CG2-CZ 3.52Å
758	T	47	Very low	42.9	Very low	70 Å²	70	109.6 Å²	109.6	43%	0.429	65%	0.652	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-98.4	122.7	179.3	-32.8	0	0	0	0	109.7	G749 I750	G749-T758 CarbonylContact C-O 3.55Å; G749-T758 WeakPolarHBondContact CA-O 3.45Å; I750-T758 PolarHBondContact N-O 3.35Å; I750-T758 PolarHBondContact O-N 2.68Å
759	F	45.6	Very low	41.9	Very low	103 Å²	103	111.9 Å²	111.9	45%	0.452	66%	0.663	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-111.1	145.7	-178.9	-63.7	-81.7	0	0	0	111.5	V747 I757	V747-F759 HydrophobicContact CB-CD1 4.31Å; V747-F759 HydrophobicContact CB-CE1 4.3Å; V747-F759 HydrophobicContact CG1-CD1 3.67Å; V747-F759 HydrophobicContact CG1-CE1 4.15Å; I757-F759 HydrophobicContact CB-CE2 3.96Å; I757-F759 HydrophobicContact CB-CZ 4.13Å; I757-F759 HydrophobicContact CG2-CD1 4.46Å; I757-F759 HydrophobicContact CG2-CD2 4.25Å; I757-F759 HydrophobicContact CG2-CE1 3.94Å; I757-F759 HydrophobicContact CG2-CE2 3.69Å; I757-F759 HydrophobicContact CG2-CZ 3.52Å
760	F	42.7	Very low	40.5	Very low	142 Å²	142	115.2 Å²	115.2	62%	0.623	69%	0.689	S	S	*	*			trans	-109.2	122.3	177	-57.9	-79.4	0	0	0	110.3	I750 V762	I750-F760 HydrophobicContact CD1-CE2 4.44Å; F760-V762 PolarHBondContact O-N 3.44Å
761	P	34.5	Very low	39	Very low	124 Å²	124	119.4 Å²	119.4	81%	0.805	71%	0.706	S	S	*	*	P	Polyproline II helix	trans	-79.2	119.6	-176.1	30	-33.5	0	0	0	112
762	V	37.3	Very low	37.6	Very low	128 Å²	128	121.1 Å²	121.1	78%	0.776	72%	0.72	S	S	*	*	P	Polyproline II helix	trans	-86.2	117.8	165.8	-179.4	0	0	0	0	108.4	F760 V764	F760-V762 PolarHBondContact O-N 3.44Å; V762-V764 HydrophobicContact CG1-CG2 4.13Å; V762-V764 PolarHBondContact O-N 3.45Å
763	Q	31.4	Very low	36.1	Very low	196 Å²	196	124.5 Å²	124.5	92%	0.916	74%	0.743	S	S	*	*	P	Polyproline II helix	trans	-76.3	122.7	174.9	-71.7	-172.4	-15.3	0	0	110.6
764	V	30.3	Very low	34.8	Very low	120 Å²	120	122.4 Å²	122.4	73%	0.727	74%	0.743	S	S	*	*			trans	-129.5	125.9	172.9	-166.8	0	0	0	0	107.3	V762 V766	V762-V764 HydrophobicContact CG1-CG2 4.13Å; V762-V764 PolarHBondContact O-N 3.45Å; V764-V766 HydrophobicContact CG1-CG2 4.1Å
765	N	26.6	Very low	33.6	Very low	166 Å²	166	118.1 Å²	118.1	89%	0.888	74%	0.737	S	S	*	*			trans	-114.9	125.4	-177.1	-161.5	22	0	0	0	110.1
766	V	30.2	Very low	32.5	Very low	133 Å²	133	121 Å²	121	81%	0.806	75%	0.745	S	S	*	*			trans	-140.9	129.1	-169.6	-179.2	0	0	0	0	111.1	V764	V764-V766 HydrophobicContact CG1-CG2 4.1Å
767	G	29.3	Very low	31.7	Very low	79 Å²	79	127.5 Å²	127.5	81%	0.814	77%	0.771	S	S	*	*			trans	142	145.3	176.2	0	0	0	0	0	111.5
768	G	30	Very low	30.2	Very low	81 Å²	81	130.9 Å²	130.9	84%	0.835	79%	0.785	S	S	*	*			cis	-167	173.4	-1.3	0	0	0	0	0	112.1
769	Q	26.8	Very low	29.1	Very low	199 Å²	199	133.7 Å²	133.7	93%	0.93	81%	0.805	S	S	*	*			trans	-79.9	177.9	-177.9	-66.8	172.7	-16.4	0	0	112.9
770	A	25	Very low	28.1	Very low	90 Å²	90	137.2 Å²	137.2	74%	0.744	83%	0.827	S	S	*	*				175.5	121.3	-51.1	0	0	0	0	0	109.2
771	Q	24.2	Very low	27.6	Very low	202 Å²	202	134.1 Å²	134.1	94%	0.944	82%	0.823	S	S	*	*			trans	-159	124.3	159.7	-122.4	171.1	9.6	0	0	115.7
772	A	23.3	Very low	27.3	Very low	95 Å²	95	132.2 Å²	132.2	79%	0.785	82%	0.818	S	S	*	*			trans	5.2	115.3	164.3	0	0	0	0	0	122.3
773	V	23.4	Very low	27.1	Very low	146 Å²	146	131.1 Å²	131.1	89%	0.885	81%	0.805	S	S	*	*				-129.6	147.5	126	179.5	0	0	0	0	108
774	T	25.8	Very low	27	Very low	143 Å²	143	127 Å²	127	88%	0.877	80%	0.804	S	S	*	*			trans	-77.8	129.4	-170.7	51.9	0	0	0	0	115
775	G	23.3	Very low	26.9	Very low	70 Å²	70	128.6 Å²	128.6	72%	0.722	81%	0.808	S	S	*	*			trans	-164.7	126.2	163.2	0	0	0	0	0	111
776	S	25.4	Very low	27	Very low	129 Å²	129	125.2 Å²	125.2	90%	0.902	80%	0.803	S	S	*	*			trans	-86	132	-179.2	50.6	0	0	0	0	111.5
777	I	25.5	Very low	26.8	Very low	167 Å²	167	122.5 Å²	122.5	86%	0.856	80%	0.801	S	S	*	*			trans	-126.2	133.3	174.5	-60.3	-179	0	0	0	108.6
778	Q	27.7	Very low	26.8	Very low	165 Å²	165	124.6 Å²	124.6	77%	0.771	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-91.6	154.4	-177.8	-66.3	173.2	-37.7	0	0	111.2
779	P	24	Very low	26.4	Very low	129 Å²	129	128.7 Å²	128.7	84%	0.838	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-64.9	135.9	166.8	28.9	-34.1	0	0	0	110.5
780	L	24.5	Very low	26.4	Very low	177 Å²	177	124.7 Å²	124.7	93%	0.927	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-86.6	133.2	-175.5	-69	168.6	0	0	0	111.8
781	S	31	Very low	26.2	Very low	77 Å²	77	126 Å²	126	54%	0.538	80%	0.803	S	S	.	*			trans	-104.9	178.8	179.5	67.5	0	0	0	0	113	Q783	S781-Q783 PolarHBondContact O-N 3.24Å
782	A	28.2	Very low	26.3	Very low	84 Å²	84	125.1 Å²	125.1	69%	0.694	80%	0.799	S	S	*	*	S	Bend	trans	-75.1	79.1	-169.3	0	0	0	0	0	114.3	K608	K608-A782 PolarHBondContact NZ-O 3.32Å; K608-A782 VanDerWaalsContact NZ-O 3.16Å
783	Q	33.2	Very low	26.4	Very low	106 Å²	106	129.9 Å²	129.9	50%	0.495	81%	0.805	S	S	.	*			trans	-120.6	-6	175.6	-75.6	179.2	-35	0	0	115.2	D611 S781 L785 A786	D611-Q783 PolarHBondContact OD1-NE2 3.48Å; S781-Q783 PolarHBondContact O-N 3.24Å; Q783-L785 PolarHBondContact O-N 2.89Å; Q783-A786 PolarHBondContact O-N 3.02Å
784	A	28.7	Very low	26.3	Very low	109 Å²	109	131.3 Å²	131.3	90%	0.901	80%	0.804	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.9	33	-178.1	0	0	0	0	0	116.1
785	L	29.8	Very low	26.1	Very low	154 Å²	154	131.7 Å²	131.7	81%	0.806	81%	0.806	S	S	*	*	T	Hydrogen-bonded Turn	trans	-131.9	2.6	177.7	-113.7	163.4	0	0	0	113.7	Q783	Q783-L785 PolarHBondContact O-N 2.89Å
786	A	28.1	Very low	26.2	Very low	95 Å²	95	131.2 Å²	131.2	79%	0.785	80%	0.801	S	S	*	*	S	Bend	trans	-149.1	83.4	173.7	0	0	0	0	0	111.5	Q783	Q783-A786 PolarHBondContact O-N 3.02Å
787	G	26.7	Very low	26.2	Very low	75 Å²	75	131.7 Å²	131.7	77%	0.773	80%	0.799	S	S	*	*			trans	113.5	126.1	177.5	0	0	0	0	0	112.7
788	S	27.4	Very low	26.1	Very low	123 Å²	123	131 Å²	131	86%	0.86	80%	0.802	S	S	*	*			trans	-111.2	133.8	167	176.6	0	0	0	0	107.2
789	L	23	Very low	26	Very low	168 Å²	168	130.2 Å²	130.2	88%	0.88	80%	0.803	S	S	*	*			trans	-107.1	143	171.3	-96.9	171.4	0	0	0	110.6
790	S	25.4	Very low	26	Very low	115 Å²	115	131.9 Å²	131.9	80%	0.804	80%	0.799	S	S	*	*			trans	-55.8	141.4	-171.3	-45.7	0	0	0	0	114.2
791	S	22.3	Very low	26.1	Very low	117 Å²	117	129.9 Å²	129.9	82%	0.818	79%	0.794	S	S	*	*			trans	-129.1	120.1	150.1	-173.7	0	0	0	0	108.7
792	Q	26.4	Very low	26.1	Very low	183 Å²	183	132.1 Å²	132.1	86%	0.855	81%	0.807	S	S	*	*			trans	-89.5	138.3	167.2	-69.5	177.2	-35.7	0	0	108.4
793	Q	24.1	Very low	25.9	Very low	196 Å²	196	131.3 Å²	131.3	92%	0.916	81%	0.807	S	S	*	*			trans	-139.2	157.3	153.7	-108	-176.9	1.1	0	0	111.9
794	M	22.1	Very low	25.6	Very low	176 Å²	176	135.2 Å²	135.2	87%	0.867	83%	0.825	S	S	*	*			trans	-79.3	153.1	-160.2	-60.5	165.9	168.7	0	0	113.8
795	T	22	Very low	25.4	Very low	151 Å²	151	136.7 Å²	136.7	93%	0.926	82%	0.823	S	S	*	*				-172.3	138.7	119.5	18.1	0	0	0	0	109.6
796	G	24.9	Very low	25.2	Very low	59 Å²	59	133.2 Å²	133.2	61%	0.608	82%	0.816	S	S	*	*			cis	-174	173.2	-7.6	0	0	0	0	0	113.5
797	T	24.5	Very low	25.1	Very low	140 Å²	140	135.5 Å²	135.5	86%	0.859	81%	0.814	S	S	*	*			trans	45.4	99	155.8	54.6	0	0	0	0	120.4
798	T	24.1	Very low	25	Very low	151 Å²	151	139.2 Å²	139.2	93%	0.926	81%	0.811	S	S	*	*				-152.5	173.4	128.3	-6.8	0	0	0	0	110.1
799	L	24.7	Very low	24.9	Very low	149 Å²	149	142 Å²	142	78%	0.78	81%	0.811	S	S	*	*			trans	-106.1	143.8	-151.3	-80.2	155.4	0	0	0	116.4
800	Q	25.2	Very low	24.9	Very low	164 Å²	164	139.9 Å²	139.9	77%	0.766	80%	0.799	S	S	*	*			trans	78.2	119.9	139.4	-75.7	174.4	-12.9	0	0	123.4
801	V	26.8	Very low	25	Very low	135 Å²	135	139.6 Å²	139.6	82%	0.818	80%	0.797	S	S	*	*				87.6	143.1	128.9	171	0	0	0	0	118.7
802	P	31.7	Very low	25.7	Very low	124 Å²	124	140.2 Å²	140.2	81%	0.805	80%	0.798	S	S	*	*			trans	-125.7	172	-151.9	42.3	-27	0	0	0	116.7
803	G	23.8	Very low	25.7	Very low	68 Å²	68	135.4 Å²	135.4	70%	0.701	80%	0.797	S	S	*	*			trans	-172.5	124.9	165.7	0	0	0	0	0	116.6
804	Q	25.9	Very low	25.7	Very low	187 Å²	187	129.6 Å²	129.6	87%	0.874	79%	0.791	S	S	*	*			trans	46.7	119.2	143	-62	172.3	-2.1	0	0	119.6
805	V	25.1	Very low	25.9	Very low	140 Å²	140	130.8 Å²	130.8	85%	0.848	79%	0.794	S	S	*	*				62.8	116.8	73.5	179.6	0	0	0	0	114.4
806	A	24.8	Very low	26.2	Very low	81 Å²	81	131.9 Å²	131.9	67%	0.669	79%	0.789	S	S	*	*			trans	164.4	144.2	131.5	0	0	0	0	0	115.7
807	I	25.9	Very low	26.2	Very low	143 Å²	143	137.5 Å²	137.5	73%	0.733	80%	0.799	S	S	*	*			trans	51.7	119.2	133.9	-65.1	169.2	0	0	0	118.8
808	Q	25.3	Very low	26.2	Very low	153 Å²	153	140.7 Å²	140.7	72%	0.715	80%	0.801	S	S	*	*				77.7	104.4	50.5	-174.3	-164	74.2	0	0	114.6	I810	Q808-I810 HydrophobicContact CG-CD1 4.06Å
809	Q	26	Very low	26.4	Very low	183 Å²	183	142.6 Å²	142.6	86%	0.855	80%	0.799	S	S	*	*			trans	-163.6	-177.2	147	-111.9	166.1	56.2	0	0	112.8
810	I	23.1	Very low	26.4	Very low	123 Å²	123	138.6 Å²	138.6	63%	0.631	79%	0.794	S	S	*	*				-158	134.5	-119.2	-89.9	159.2	0	0	0	112.9	Q808	Q808-I810 HydrophobicContact CG-CD1 4.06Å
811	S	26.9	Very low	26.5	Very low	108 Å²	108	140.7 Å²	140.7	76%	0.755	80%	0.804	S	S	*	*			trans	63.4	-178.1	156	-59.6	0	0	0	0	117.7
812	P	37.3	Very low	26.3	Very low	130 Å²	130	139 Å²	139	84%	0.844	80%	0.797	S	S	*	*				-135.9	168.5	-71.1	41.1	-27	0	0	0	114.8
813	G	25.5	Very low	26.1	Very low	82 Å²	82	140.1 Å²	140.1	85%	0.845	80%	0.802	S	S	*	*			trans	178.9	140	164	0	0	0	0	0	112.1
814	G	24.6	Very low	26.2	Very low	75 Å²	75	143 Å²	143	77%	0.773	81%	0.806	S	S	*	*			trans	-165.5	161.7	-179.8	0	0	0	0	0	114
815	Q	27	Very low	26.1	Very low	200 Å²	200	139.5 Å²	139.5	94%	0.935	80%	0.802	S	S	*	*			trans	-156.1	177.4	167.1	-111.1	171.3	20.8	0	0	110.4
816	Q	26.6	Very low	26.2	Very low	175 Å²	175	138 Å²	138	82%	0.818	80%	0.798	S	S	*	*			trans	-104.4	148.5	-147.3	-65.7	169.3	-31	0	0	116.3
817	Q	26.1	Very low	26.2	Very low	176 Å²	176	139.3 Å²	139.3	82%	0.822	80%	0.802	S	S	*	*			trans	39.7	112.3	143.3	-64.3	179.7	-16.3	0	0	120.3
818	K	25	Very low	26.4	Very low	207 Å²	207	140 Å²	140	90%	0.9	81%	0.807	S	S	*	*				177.9	105.4	118.4	-99.9	170.2	-177.9	177.4	0	112.6
819	Q	27.3	Very low	26.4	Very low	192 Å²	192	143.1 Å²	143.1	90%	0.897	81%	0.813	S	S	*	*			trans	-144.1	143.1	156.7	-73.6	-177.8	-3.7	0	0	107.4
820	G	24.7	Very low	26.7	Very low	64 Å²	64	140.4 Å²	140.4	66%	0.66	81%	0.811	S	S	*	*			cis	109.8	102.6	8.1	0	0	0	0	0	110.1	S822	G820-S822 PolarHBondContact O-N 3.07Å
821	Q	28.2	Very low	27.5	Very low	209 Å²	209	143.7 Å²	143.7	98%	0.977	82%	0.815	S	S	*	*			trans	-63	129.3	-177.4	-68.4	168.7	-51.4	0	0	110.9
822	S	22.7	Very low	28.3	Very low	98 Å²	98	147.8 Å²	147.8	69%	0.685	82%	0.82	S	S	*	*			trans	-129.2	126.5	170.3	57.1	0	0	0	0	110	G820	G820-S822 PolarHBondContact O-N 3.07Å
823	V	26.9	Very low	29.2	Very low	148 Å²	148	146.2 Å²	146.2	90%	0.897	81%	0.808	S	S	*	*			trans	-79	122.7	-179.7	177.6	0	0	0	0	109
824	T	24.4	Very low	31.9	Very low	128 Å²	128	144.9 Å²	144.9	79%	0.785	79%	0.786	S	S	*	*			trans	-97.4	113.2	172.9	45.7	0	0	0	0	110.7	S826	T824-S826 PolarHBondContact O-N 3.49Å
825	S	24.7	Very low	34.8	Very low	114 Å²	114	143.5 Å²	143.5	80%	0.797	76%	0.764	S	S	*	*			trans	-66.9	119.7	179.1	54.8	0	0	0	0	111.6	S827	S825-S827 PolarHBondContact O-N 3.48Å
826	S	26.7	Very low	37.9	Very low	108 Å²	108	134 Å²	134	76%	0.755	72%	0.719	S	S	*	*			trans	-70.7	123.3	176.7	45.7	0	0	0	0	111.8	T824 N828	T824-S826 PolarHBondContact O-N 3.49Å; S826-N828 PolarHBondContact O-N 3.21Å
827	S	24.7	Very low	40.9	Very low	110 Å²	110	126.8 Å²	126.8	77%	0.769	69%	0.688	S	S	*	*			trans	-76.1	105.4	179.5	-174.9	0	0	0	0	110.9	S825 R829	S825-S827 PolarHBondContact O-N 3.48Å; S827-R829 PolarHBondContact O-N 3.27Å
828	N	31	Very low	44	Very low	157 Å²	157	120.5 Å²	120.5	84%	0.84	66%	0.66	S	S	*	*			trans	-64.8	99	178.9	-87.3	-34.4	0	0	0	112.2	S826	S826-N828 PolarHBondContact O-N 3.21Å
829	R	26.1	Very low	47.3	Very low	219 Å²	219	110.7 Å²	110.7	83%	0.826	62%	0.617	S	S	*	*	P	Polyproline II helix	trans	-101.5	127.3	157.8	-70	-173.7	176.2	-169	-0.6	108.9	S827 R831	S827-R829 PolarHBondContact O-N 3.27Å; R829-R831 PolarHBondContact O-N 3.34Å
830	P	30.3	Very low	50.5	Low	126 Å²	126	101.5 Å²	101.5	82%	0.818	58%	0.575	S	S	*	*	P	Polyproline II helix	trans	-65	123	177.1	26.6	-33.2	0	0	0	110.1
831	R	41.3	Very low	53.7	Low	191 Å²	191	99.4 Å²	99.4	72%	0.721	55%	0.547	S	S	*	.	P	Polyproline II helix	trans	-65.4	136	176.7	-67.1	-177.9	180	174.8	3	109.9	E621 R829 T833	E621-R831 VanDerWaalsContact CD-NH1 3.34Å; E621-R831 IonicContact OE1-CZ 2.81Å; E621-R831 IonicContact OE1-NH1 2.62Å; E621-R831 PolarHBondContact OE1-NH1 2.81Å; E621-R831 IonicContact OE1-NH2 3.66Å; E621-R831 PolarHBondContact OE1-NH2 3.03Å; E621-R831 IonicContact OE2-NH1 3.16Å; R829-R831 PolarHBondContact O-N 3.34Å; R831-T833 PolarHBondContact O-N 3.1Å
832	K	42.6	Very low	56.8	Low	195 Å²	195	89.7 Å²	89.7	85%	0.848	50%	0.501	S	S	*	.	P	Polyproline II helix	trans	-69.1	127.6	171.4	-64.9	-178.6	179.4	-178.4	0	108.8	S834	K832-S834 PolarHBondContact O-N 3.47Å
833	T	56.8	Low	60.2	Low	97 Å²	97	85 Å²	85	60%	0.595	47%	0.469	S	S	*	.			trans	-67.3	115	-177.3	-39.4	0	0	0	0	110.9	R831	R831-T833 PolarHBondContact O-N 3.1Å
834	S	81.5	Confident	63.4	Low	54 Å²	54	78 Å²	78	38%	0.378	43%	0.426	S	S	.	.			trans	-78.4	160	-180	-178.7	0	0	0	0	112	K832 L836 S837 L838	K832-S834 PolarHBondContact O-N 3.47Å; S834-L836 PolarHBondContact O-N 3.13Å; S834-L836 PolarHBondContact OG-N 3.42Å; S834-S837 PolarHBondContact N-OG 2.94Å; S834-S837 WeakPolarHBondContact O-CB 3.44Å; S834-S837 PolarHBondContact O-N 3.41Å; S834-S837 VanDerWaalsContact O-N 3.08Å; S834-L838 PolarHBondContact O-N 3.1Å
835	S	86.3	Confident	66.6	Low	45 Å²	45	73 Å²	73	32%	0.315	39%	0.393	S	S	.	.	H	α-helix	trans	-58.5	-31.9	167.3	65	0	0	0	0	112.1	Y562 L838 F839	Y562-S835 VanDerWaalsContact OH-C 3.3Å; Y562-S835 PolarHBondContact OH-O 3.35Å; Y562-S835 PolarHBondContact OH-OG 3.45Å; S835-L838 PolarHBondContact O-N 3.39Å; S835-F839 PolarHBondContact O-N 2.92Å
836	L	91.2	Very high	69.8	Low	1 Å²	1	67.6 Å²	67.6	1%	0.005	36%	0.356	C	S	.	.	H	α-helix	trans	-64.1	-44.9	172.9	-167.8	69.9	0	0	0	111	Y562 L605 K608 I609 N612 P617 S834 L838 F839 F840	Y562-L836 PolarHBondContact OH-N 3.19Å; L605-L836 HydrophobicContact CD1-CD1 3.96Å; K608-L836 HydrophobicContact CB-CD1 4.19Å; I609-L836 HydrophobicContact CG1-CD1 3.89Å; N612-L836 HydrophobicContact CB-CD2 3.7Å; P617-L836 HydrophobicContact CG-CD2 4.04Å; P617-L836 HydrophobicContact CG-CG 4.2Å; S834-L836 PolarHBondContact O-N 3.13Å; S834-L836 PolarHBondContact OG-N 3.42Å; L836-L838 VanDerWaalsContact C-N 3.34Å; L836-L838 PolarHBondContact O-N 3.05Å; L836-F839 PolarHBondContact O-N 3.31Å; L836-F840 HydrophobicContact CD1-CD2 4.02Å; L836-F840 HydrophobicContact CD1-CE2 3.75Å; L836-F840 HydrophobicContact CG-CD2 4.04Å; L836-F840 HydrophobicContact CG-CE2 4.18Å; L836-F840 WeakPolarHBondContact O-CD2 3.48Å; L836-F840 PolarHBondContact O-N 2.93Å
837	S	91	Very high	73.1	Confident	23 Å²	23	62.4 Å²	62.4	16%	0.161	32%	0.32	C	S	.	.	H	α-helix	trans	-61.9	-40	175.9	-46.5	0	0	0	0	112	S834 R841	S834-S837 PolarHBondContact N-OG 2.94Å; S834-S837 WeakPolarHBondContact O-CB 3.44Å; S834-S837 PolarHBondContact O-N 3.41Å; S834-S837 VanDerWaalsContact O-N 3.08Å; S837-R841 VanDerWaalsContact O-CB 3.26Å; S837-R841 WeakPolarHBondContact O-CB 3.29Å; S837-R841 PolarHBondContact O-N 2.85Å
838	L	90.2	Very high	76.3	Confident	45 Å²	45	57.2 Å²	57.2	24%	0.236	28%	0.283	C	S	.	.	H	α-helix	trans	-62.3	-44.8	175.1	174.2	61.1	0	0	0	111.9	K566 S834 S835 L836 K842	K566-L838 HydrophobicContact CG-CD2 4.4Å; S834-L838 PolarHBondContact O-N 3.1Å; S835-L838 PolarHBondContact O-N 3.39Å; L836-L838 VanDerWaalsContact C-N 3.34Å; L836-L838 PolarHBondContact O-N 3.05Å; L838-K842 PolarHBondContact O-N 2.92Å
839	F	94.4	Very high	79.1	Confident	0 Å²	0	50.5 Å²	50.5	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-61.4	-56.9	177.8	-179.8	-101.9	0	0	0	111.2	Y562 Y565 L594 A598 W599 L605 S835 L836 R841 K842 V843	Y562-F839 AromaticContact CD2-CD2 3.92Å; Y562-F839 HydrophobicContact CD2-CD2 3.92Å; Y562-F839 HydrophobicContact CD2-CE2 4.26Å; Y562-F839 HydrophobicContact CD2-CG 4.22Å; Y562-F839 HydrophobicContact CE2-CB 3.81Å; Y562-F839 HydrophobicContact CE2-CD1 4.39Å; Y562-F839 AromaticContact CE2-CD2 3.92Å; Y562-F839 HydrophobicContact CE2-CD2 3.92Å; Y562-F839 AromaticContact CE2-CG 3.78Å; Y562-F839 HydrophobicContact CE2-CG 3.78Å; Y565-F839 HydrophobicContact CD1-CD2 4.39Å; Y565-F839 AromaticContact CE1-CD2 3.76Å; Y565-F839 HydrophobicContact CE1-CD2 3.76Å; Y565-F839 AromaticContact CZ-CD2 3.93Å; Y565-F839 WeakPolarHBondContact OH-CB 3.39Å; Y565-F839 PolarHBondContact OH-N 3.49Å; L594-F839 HydrophobicContact CD2-CD2 3.94Å; L594-F839 HydrophobicContact CD2-CE2 3.84Å; A598-F839 HydrophobicContact CB-CE2 3.62Å; A598-F839 HydrophobicContact CB-CZ 3.7Å; W599-F839 AromaticContact CE2-CZ 3.94Å; W599-F839 HydrophobicContact CH2-CE1 4.01Å; W599-F839 AromaticContact CZ2-CE1 3.64Å; W599-F839 HydrophobicContact CZ2-CE1 3.64Å; W599-F839 AromaticContact CZ2-CZ 3.96Å; W599-F839 HydrophobicContact CZ2-CZ 3.96Å; L605-F839 HydrophobicContact CD1-CD1 3.58Å; L605-F839 HydrophobicContact CD1-CE1 3.6Å; L605-F839 HydrophobicContact CD1-CG 4.29Å; L605-F839 HydrophobicContact CD1-CZ 4.33Å; L605-F839 HydrophobicContact CD2-CD1 4.35Å; L605-F839 HydrophobicContact CD2-CE1 3.5Å; L605-F839 VanDerWaalsContact CD2-CE1 3.5Å; L605-F839 HydrophobicContact CD2-CZ 3.74Å; L605-F839 HydrophobicContact CG-CE1 4.21Å; S835-F839 PolarHBondContact O-N 2.92Å; L836-F839 PolarHBondContact O-N 3.31Å; F839-R841 VanDerWaalsContact C-N 3.26Å; F839-R841 PolarHBondContact O-N 3.5Å; F839-K842 PolarHBondContact O-N 3.31Å; F839-V843 HydrophobicContact CD1-CG2 3.99Å; F839-V843 HydrophobicContact CE1-CG2 3.63Å; F839-V843 HydrophobicContact CE2-CG2 4.29Å; F839-V843 HydrophobicContact CG-CG2 4.47Å; F839-V843 HydrophobicContact CZ-CG2 3.79Å; F839-V843 WeakPolarHBondContact O-CG2 3.45Å; F839-V843 PolarHBondContact O-N 2.9Å
840	F	94.9	Very high	82.3	Confident	0 Å²	0	40 Å²	40	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-60.9	-33.8	-178.9	-84.7	-78.9	0	0	0	112.7	W599 L605 I609 V616 L836 K842 V843 Y844 I876	W599-F840 AromaticContact CH2-CE1 3.69Å; W599-F840 HydrophobicContact CH2-CE1 3.69Å; W599-F840 AromaticContact CH2-CZ 3.75Å; W599-F840 HydrophobicContact CH2-CZ 3.75Å; W599-F840 HydrophobicContact CZ3-CE1 4.49Å; W599-F840 HydrophobicContact CZ3-CZ 4.2Å; L605-F840 HydrophobicContact CD1-CE2 4.26Å; I609-F840 HydrophobicContact CD1-CE2 4.41Å; I609-F840 HydrophobicContact CD1-CZ 4.29Å; I609-F840 HydrophobicContact CG1-CE2 4.41Å; V616-F840 HydrophobicContact CB-CE1 4.44Å; V616-F840 HydrophobicContact CB-CZ 4.28Å; V616-F840 HydrophobicContact CG1-CD1 3.64Å; V616-F840 HydrophobicContact CG1-CD2 4.34Å; V616-F840 HydrophobicContact CG1-CE1 3.28Å; V616-F840 HydrophobicContact CG1-CE2 4.04Å; V616-F840 HydrophobicContact CG1-CG 4.17Å; V616-F840 HydrophobicContact CG1-CZ 3.52Å; V616-F840 HydrophobicContact CG2-CE1 4.36Å; V616-F840 HydrophobicContact CG2-CE2 4.43Å; V616-F840 HydrophobicContact CG2-CZ 3.86Å; L836-F840 HydrophobicContact CD1-CD2 4.02Å; L836-F840 HydrophobicContact CD1-CE2 3.75Å; L836-F840 HydrophobicContact CG-CD2 4.04Å; L836-F840 HydrophobicContact CG-CE2 4.18Å; L836-F840 WeakPolarHBondContact O-CD2 3.48Å; L836-F840 PolarHBondContact O-N 2.93Å; F840-K842 VanDerWaalsContact C-N 3.35Å; F840-K842 PolarHBondContact O-N 2.85Å; F840-V843 PolarHBondContact O-N 2.75Å; F840-Y844 HydrophobicContact CB-CD2 4.32Å; F840-Y844 HydrophobicContact CB-CE2 4.02Å; F840-Y844 HydrophobicContact CD1-CE2 4.18Å; F840-Y844 WeakPolarHBondContact O-CB 3.19Å; F840-Y844 WeakPolarHBondContact O-CD2 3.5Å; F840-Y844 PolarHBondContact O-N 3.46Å; F840-I876 HydrophobicContact CD1-CG2 4.32Å; F840-I876 HydrophobicContact CE1-CG2 3.68Å
841	R	92.1	Very high	85.3	Confident	20 Å²	20	34 Å²	34	8%	0.075	17%	0.169	C	C	.	.	H	α-helix	trans	-59.6	-42.4	171.8	-169.4	179.3	63.6	-179.8	-0.5	112.9	V622 M623 Y670 S837 F839 H845	V622-R841 HydrophobicContact CB-CB 4Å; V622-R841 HydrophobicContact CG2-CB 3.81Å; V622-R841 HydrophobicContact CG2-CG 4.3Å; V622-R841 WeakPolarHBondContact O-CD 3.22Å; M623-R841 HydrophobicContact CE-CG 3.91Å; M623-R841 WeakPolarHBondContact CE-O 3.32Å; M623-R841 HydrophobicContact SD-CG 3.8Å; Y670-R841 PolarHBondContact O-NH1 3.31Å; Y670-R841 PolarHBondContact O-NH2 3.36Å; S837-R841 VanDerWaalsContact O-CB 3.26Å; S837-R841 WeakPolarHBondContact O-CB 3.29Å; S837-R841 PolarHBondContact O-N 2.85Å; F839-R841 VanDerWaalsContact C-N 3.26Å; F839-R841 PolarHBondContact O-N 3.5Å; R841-H845 WeakPolarHBondContact O-CB 3.5Å; R841-H845 PolarHBondContact O-N 2.97Å
842	K	92.2	Very high	87.7	Confident	4 Å²	4	28 Å²	28	2%	0.017	15%	0.147	C	C	.	.	H	α-helix	trans	-70.2	-40.9	176.5	-74.5	-174.4	177.6	-120.1	0	111.5	Y565 E569 E590 L594 L838 F839 F840 H845 L846	Y565-K842 HydrophobicContact CD2-CD 4.19Å; Y565-K842 HydrophobicContact CE2-CD 4.04Å; E569-K842 VanDerWaalsContact OE2-CE 3.29Å; E569-K842 WeakPolarHBondContact OE2-CE 3.43Å; E569-K842 IonicContact OE2-NZ 2.67Å; E569-K842 PolarHBondContact OE2-NZ 3.18Å; E590-K842 IonicContact OE1-NZ 3.45Å; E590-K842 PolarHBondContact OE1-NZ 2.84Å; E590-K842 IonicContact OE2-NZ 3.78Å; E590-K842 PolarHBondContact OE2-NZ 3.08Å; L594-K842 HydrophobicContact CD1-CB 3.72Å; L594-K842 HydrophobicContact CD1-CD 4.47Å; L594-K842 HydrophobicContact CD2-CB 3.57Å; L594-K842 HydrophobicContact CG-CB 4.32Å; L838-K842 PolarHBondContact O-N 2.92Å; F839-K842 PolarHBondContact O-N 3.31Å; F840-K842 VanDerWaalsContact C-N 3.35Å; F840-K842 PolarHBondContact O-N 2.85Å; K842-H845 PolarHBondContact O-N 2.8Å; K842-L846 WeakPolarHBondContact O-CB 3.12Å; K842-L846 PolarHBondContact O-N 2.99Å
843	V	94.9	Very high	90	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-57.9	-50.4	173.9	175	0	0	0	0	111.3	L594 W599 F839 F840 H845 L846 A847 I876 L888	L594-V843 HydrophobicContact CB-CG2 4.46Å; L594-V843 HydrophobicContact CD2-CG2 3.91Å; W599-V843 HydrophobicContact CZ2-CG1 4.12Å; W599-V843 HydrophobicContact CZ2-CG2 4.01Å; F839-V843 HydrophobicContact CD1-CG2 3.99Å; F839-V843 HydrophobicContact CE1-CG2 3.63Å; F839-V843 HydrophobicContact CE2-CG2 4.29Å; F839-V843 HydrophobicContact CG-CG2 4.47Å; F839-V843 HydrophobicContact CZ-CG2 3.79Å; F839-V843 WeakPolarHBondContact O-CG2 3.45Å; F839-V843 PolarHBondContact O-N 2.9Å; F840-V843 PolarHBondContact O-N 2.75Å; V843-H845 PolarHBondContact O-N 3.38Å; V843-L846 PolarHBondContact O-N 2.95Å; V843-A847 WeakPolarHBondContact O-CB 3.28Å; V843-A847 PolarHBondContact O-N 2.79Å; V843-I876 HydrophobicContact CG1-CD1 4.5Å; V843-L888 HydrophobicContact CG1-CD1 3.83Å; V843-L888 HydrophobicContact CG1-CD2 4.19Å
844	Y	94.9	Very high	91.7	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-65.9	-35.7	178.7	-67.9	-52.2	0	0	0	112.6	P617 C619 V622 F840 A848 W869 F872 E873	P617-Y844 WeakPolarHBondContact O-CE2 3.39Å; P617-Y844 PolarHBondContact O-OH 3.08Å; P617-Y844 VanDerWaalsContact O-OH 3.12Å; C619-Y844 HydrophobicContact CB-CD1 4.35Å; C619-Y844 HydrophobicContact CB-CD2 3.89Å; C619-Y844 HydrophobicContact CB-CE2 4.1Å; C619-Y844 HydrophobicContact CB-CG 4.04Å; V622-Y844 HydrophobicContact CG2-CD2 3.84Å; V622-Y844 HydrophobicContact CG2-CE2 4.25Å; F840-Y844 HydrophobicContact CB-CD2 4.32Å; F840-Y844 HydrophobicContact CB-CE2 4.02Å; F840-Y844 HydrophobicContact CD1-CE2 4.18Å; F840-Y844 WeakPolarHBondContact O-CB 3.19Å; F840-Y844 WeakPolarHBondContact O-CD2 3.5Å; F840-Y844 PolarHBondContact O-N 3.46Å; Y844-A848 VanDerWaalsContact O-CB 3.23Å; Y844-A848 WeakPolarHBondContact O-CB 3.46Å; Y844-A848 PolarHBondContact O-N 2.94Å; Y844-W869 AromaticContact CD1-CH2 3.81Å; Y844-W869 HydrophobicContact CD1-CH2 3.81Å; Y844-W869 AromaticContact CD1-CZ2 4Å; Y844-W869 HydrophobicContact CD1-CZ2 4Å; Y844-W869 HydrophobicContact CG-CH2 4.3Å; Y844-W869 HydrophobicContact CG-CZ2 4.39Å; Y844-W869 WeakPolarHBondContact O-CH2 3.26Å; Y844-F872 HydrophobicContact CD1-CE1 4.47Å; Y844-E873 HydrophobicContact CE1-CG 3.73Å
845	H	90.8	Very high	92.2	Very high	23 Å²	23	12.6 Å²	12.6	11%	0.106	7%	0.066	C	C	.	.	H	α-helix	trans	-62.6	-47.3	173.4	-175	63.3	0	0	0	111.6	M623 Y670 R841 K842 V843 A848 V849	M623-H845 HydrophobicContact CE-CB 4.24Å; Y670-H845 PolarHBondContact OH-CD2 3.35Å; R841-H845 WeakPolarHBondContact O-CB 3.5Å; R841-H845 PolarHBondContact O-N 2.97Å; K842-H845 PolarHBondContact O-N 2.8Å; V843-H845 PolarHBondContact O-N 3.38Å; H845-A848 PolarHBondContact O-N 2.73Å; H845-V849 WeakPolarHBondContact O-CB 3.47Å; H845-V849 VanDerWaalsContact O-CG2 3.31Å; H845-V849 WeakPolarHBondContact O-CG2 3.48Å; H845-V849 PolarHBondContact O-N 2.93Å
846	L	91.9	Very high	92.4	Very high	1 Å²	1	14.4 Å²	14.4	1%	0.005	8%	0.083	C	C	.	.	H	α-helix	trans	-60.2	-50.2	178.4	179.4	56.3	0	0	0	111.7	T404 E591 L594 D595 K842 V843 V849 R850 L888	T404-L846 HydrophobicContact CG2-CB 4.48Å; T404-L846 HydrophobicContact CG2-CD1 3.6Å; E591-L846 HydrophobicContact CB-CD1 4.37Å; E591-L846 HydrophobicContact CB-CD2 4.26Å; E591-L846 HydrophobicContact CG-CD1 3.63Å; E591-L846 HydrophobicContact CG-CD2 4.24Å; E591-L846 WeakPolarHBondContact OE2-CD1 3.33Å; L594-L846 HydrophobicContact CB-CD2 3.68Å; L594-L846 HydrophobicContact CD1-CD2 4.26Å; D595-L846 HydrophobicContact CB-CD2 4.17Å; K842-L846 WeakPolarHBondContact O-CB 3.12Å; K842-L846 PolarHBondContact O-N 2.99Å; V843-L846 PolarHBondContact O-N 2.95Å; L846-V849 PolarHBondContact O-N 2.89Å; L846-R850 HydrophobicContact CD1-CG 4.38Å; L846-R850 VanDerWaalsContact CD1-NE 3.35Å; L846-R850 WeakPolarHBondContact O-CG 3.21Å; L846-R850 PolarHBondContact O-N 3.36Å; L846-L888 HydrophobicContact CD2-CD2 4.3Å; L846-L888 HydrophobicContact CG-CD2 4.4Å
847	A	95	Very high	92.3	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-61.8	-44.3	179	0	0	0	0	0	112.6	V843 V849 R850 L851 W869 F872 L888 L892	V843-A847 WeakPolarHBondContact O-CB 3.28Å; V843-A847 PolarHBondContact O-N 2.79Å; A847-V849 VanDerWaalsContact C-N 3.34Å; A847-V849 PolarHBondContact O-N 3.21Å; A847-R850 PolarHBondContact O-N 3.42Å; A847-L851 VanDerWaalsContact O-CB 3.23Å; A847-L851 WeakPolarHBondContact O-CB 3.34Å; A847-L851 PolarHBondContact O-N 2.83Å; A847-W869 HydrophobicContact CB-CH2 4.32Å; A847-W869 HydrophobicContact CB-CZ3 3.89Å; A847-F872 HydrophobicContact CB-CD1 4.38Å; A847-F872 HydrophobicContact CB-CE1 3.34Å; A847-F872 HydrophobicContact CB-CE2 4.4Å; A847-F872 HydrophobicContact CB-CZ 3.34Å; A847-L888 HydrophobicContact CB-CD2 4.17Å; A847-L892 HydrophobicContact CB-CD1 4.3Å; A847-L892 HydrophobicContact CB-CD2 4.39Å
848	A	92.3	Very high	92.3	Very high	0 Å²	0	18 Å²	18	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-63.2	-40.4	177.6	0	0	0	0	0	111.8	Y844 H845 R852 W869 Y1038 P1039	Y844-A848 VanDerWaalsContact O-CB 3.23Å; Y844-A848 WeakPolarHBondContact O-CB 3.46Å; Y844-A848 PolarHBondContact O-N 2.94Å; H845-A848 PolarHBondContact O-N 2.73Å; A848-R852 VanDerWaalsContact O-CB 3.29Å; A848-R852 WeakPolarHBondContact O-CB 3.47Å; A848-R852 PolarHBondContact O-N 3.4Å; A848-W869 HydrophobicContact CB-CH2 3.97Å; A848-W869 HydrophobicContact CB-CZ3 3.95Å; A848-Y1038 HydrophobicContact CB-CE2 4Å; A848-Y1038 PolarHBondContact O-OH 3.25Å; A848-P1039 HydrophobicContact CB-CB 3.82Å; A848-P1039 HydrophobicContact CB-CG 3.75Å
849	V	90.3	Very high	92.4	Very high	16 Å²	16	22.6 Å²	22.6	10%	0.097	12%	0.121	C	C	.	.	H	α-helix	trans	-62.9	-47.7	175.6	165.8	0	0	0	0	111.7	L403 T404 H845 L846 A847 R852 D853 V1041	L403-V849 HydrophobicContact CB-CG1 3.57Å; L403-V849 WeakPolarHBondContact O-CG1 3.32Å; T404-V849 HydrophobicContact CG2-CB 4.29Å; T404-V849 HydrophobicContact CG2-CG1 4.24Å; T404-V849 HydrophobicContact CG2-CG2 4.35Å; H845-V849 WeakPolarHBondContact O-CB 3.47Å; H845-V849 VanDerWaalsContact O-CG2 3.31Å; H845-V849 WeakPolarHBondContact O-CG2 3.48Å; H845-V849 PolarHBondContact O-N 2.93Å; L846-V849 PolarHBondContact O-N 2.89Å; A847-V849 VanDerWaalsContact C-N 3.34Å; A847-V849 PolarHBondContact O-N 3.21Å; V849-R852 PolarHBondContact O-N 3.07Å; V849-D853 PolarHBondContact O-N 2.98Å; V849-V1041 HydrophobicContact CG2-CG1 4.25Å; V849-V1041 HydrophobicContact CG2-CG2 3.7Å
850	R	93	Very high	92.3	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-64.4	-44.5	178.4	-70.4	177	-179.6	-176.1	3.7	112	L403 E591 D595 L846 A847 R852 D853 L854 D889 L892 Q919	L403-R850 HydrophobicContact CD1-CG 4.25Å; E591-R850 IonicContact OE2-CZ 2.74Å; E591-R850 IonicContact OE2-NE 3.4Å; E591-R850 IonicContact OE2-NH2 3.36Å; E591-R850 PolarHBondContact OE2-NH2 2.9Å; D595-R850 IonicContact OD2-CZ 3.57Å; D595-R850 IonicContact OD2-NH1 3.46Å; D595-R850 PolarHBondContact OD2-NH1 2.83Å; D595-R850 IonicContact OD2-NH2 2.69Å; D595-R850 PolarHBondContact OD2-NH2 3.29Å; L846-R850 HydrophobicContact CD1-CG 4.38Å; L846-R850 VanDerWaalsContact CD1-NE 3.35Å; L846-R850 WeakPolarHBondContact O-CG 3.21Å; L846-R850 PolarHBondContact O-N 3.36Å; A847-R850 PolarHBondContact O-N 3.42Å; R850-R852 PolarHBondContact O-N 3.12Å; R850-D853 PolarHBondContact O-N 3.35Å; R850-L854 WeakPolarHBondContact O-CG 3.45Å; R850-L854 PolarHBondContact O-N 3.48Å; R850-D889 VanDerWaalsContact CD-OD1 3.26Å; R850-D889 WeakPolarHBondContact CD-OD1 3.19Å; R850-D889 IonicContact CZ-OD1 2.84Å; R850-D889 IonicContact NE-OD1 2.58Å; R850-D889 IonicContact NH1-OD1 3.93Å; R850-D889 PolarHBondContact NH1-OD1 3.01Å; R850-D889 IonicContact NH1-OD2 2.76Å; R850-D889 PolarHBondContact NH1-OD2 2.69Å; R850-L892 HydrophobicContact CB-CD1 4.2Å; R850-Q919 PolarHBondContact O-NE2 3.27Å
851	L	94.6	Very high	92.1	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-62.1	-41.7	176.8	-179.6	58.4	0	0	0	112.2	A847 D853 L854 C855 R865 I868 W869 L892 I896 Y1038	A847-L851 VanDerWaalsContact O-CB 3.23Å; A847-L851 WeakPolarHBondContact O-CB 3.34Å; A847-L851 PolarHBondContact O-N 2.83Å; L851-D853 VanDerWaalsContact C-N 3.3Å; L851-D853 PolarHBondContact O-N 2.66Å; L851-L854 PolarHBondContact O-N 2.87Å; L851-C855 WeakPolarHBondContact O-CB 3.28Å; L851-C855 PolarHBondContact O-N 3.45Å; L851-C855 PolarHBondContact O-SG 2.85Å; L851-C855 VanDerWaalsContact O-SG 3.41Å; L851-R865 HydrophobicContact CG-CG 4.5Å; L851-I868 HydrophobicContact CD1-CG2 3.68Å; L851-I868 HydrophobicContact CD2-CG2 3.97Å; L851-I868 HydrophobicContact CG-CG2 4.49Å; L851-W869 HydrophobicContact CD2-CB 4.18Å; L851-W869 HydrophobicContact CD2-CE3 3.99Å; L851-L892 HydrophobicContact CB-CD2 4.21Å; L851-I896 HydrophobicContact CD1-CD1 3.88Å; L851-I896 HydrophobicContact CD1-CG1 3.8Å; L851-Y1038 HydrophobicContact CD2-CE2 4.23Å
852	R	91.4	Very high	92	Very high	65 Å²	65	28.8 Å²	28.8	25%	0.245	16%	0.16	C	C	.	.	H	α-helix	trans	-60.6	-40.3	179.4	-163.3	-178.9	-65.7	-113.8	3.6	111.8	E629 A848 V849 R850 A856 Y1038 P1039	E629-R852 IonicContact OE1-CZ 3.35Å; E629-R852 IonicContact OE1-NH1 3.63Å; E629-R852 PolarHBondContact OE1-NH1 3.36Å; E629-R852 IonicContact OE1-NH2 2.66Å; E629-R852 PolarHBondContact OE1-NH2 3.19Å; A848-R852 VanDerWaalsContact O-CB 3.29Å; A848-R852 WeakPolarHBondContact O-CB 3.47Å; A848-R852 PolarHBondContact O-N 3.4Å; V849-R852 PolarHBondContact O-N 3.07Å; R850-R852 PolarHBondContact O-N 3.12Å; R852-A856 WeakPolarHBondContact O-CB 3.44Å; R852-A856 PolarHBondContact O-N 3.42Å; R852-A856 VanDerWaalsContact O-N 3.16Å; R852-Y1038 WeakPolarHBondContact CB-OH 3.27Å; R852-Y1038 PolarHBondContact N-OH 3.46Å; R852-Y1038 VanDerWaalsContact NH2-CE1 3.29Å; R852-P1039 PolarHBondContact NH2-O 3.06Å
853	D	89.4	Confident	91.9	Very high	19 Å²	19	32.1 Å²	32.1	10%	0.102	18%	0.178	C	C	.	.	H	α-helix	trans	-72.8	-35.5	176.5	179.3	90	0	0	0	112.6	R407 V849 R850 L851 K857 Q919	R407-D853 IonicContact NH2-OD1 2.99Å; V849-D853 PolarHBondContact O-N 2.98Å; R850-D853 PolarHBondContact O-N 3.35Å; L851-D853 VanDerWaalsContact C-N 3.3Å; L851-D853 PolarHBondContact O-N 2.66Å; D853-K857 WeakPolarHBondContact O-CD 3.46Å; D853-K857 VanDerWaalsContact O-CG 3.3Å; D853-K857 WeakPolarHBondContact O-CG 3.4Å; D853-K857 PolarHBondContact O-N 2.72Å; D853-K857 WeakPolarHBondContact OD1-CE 3.27Å; D853-K857 IonicContact OD1-NZ 2.94Å; D853-K857 PolarHBondContact OD1-NZ 3.35Å; D853-K857 VanDerWaalsContact OD2-CE 3.26Å; D853-K857 WeakPolarHBondContact OD2-CE 3.42Å; D853-K857 IonicContact OD2-NZ 2.96Å; D853-K857 PolarHBondContact OD2-NZ 2.91Å; D853-Q919 WeakPolarHBondContact OD2-CG 3.45Å; D853-Q919 PolarHBondContact OD2-NE2 3.36Å
854	L	92.6	Very high	91.8	Very high	2 Å²	2	32.1 Å²	32.1	1%	0.01	18%	0.178	C	C	.	.	H	α-helix	trans	-64.9	-49.5	171.6	-69.7	178.2	0	0	0	112.2	R850 L851 A856 K857 L858 I896 C915 Y916 Q919	R850-L854 WeakPolarHBondContact O-CG 3.45Å; R850-L854 PolarHBondContact O-N 3.48Å; L851-L854 PolarHBondContact O-N 2.87Å; L854-A856 VanDerWaalsContact C-N 3.3Å; L854-A856 PolarHBondContact O-N 2.67Å; L854-K857 PolarHBondContact O-N 2.88Å; L854-K857 VanDerWaalsContact O-N 3.08Å; L854-L858 HydrophobicContact CB-CD1 4.44Å; L854-L858 WeakPolarHBondContact O-CB 3.48Å; L854-L858 WeakPolarHBondContact O-CG 3.48Å; L854-L858 PolarHBondContact O-N 3.27Å; L854-I896 HydrophobicContact CB-CD1 4.02Å; L854-I896 HydrophobicContact CD1-CD1 3.55Å; L854-I896 HydrophobicContact CG-CD1 4.41Å; L854-C915 HydrophobicContact CD2-CB 4.41Å; L854-Y916 HydrophobicContact CD2-CD2 4.48Å; L854-Q919 HydrophobicContact CD2-CG 4.43Å
855	C	93.5	Very high	91.8	Very high	1 Å²	1	33 Å²	33	1%	0.007	18%	0.181	C	C	.	.	H	α-helix	trans	-60.2	-39.7	179.4	-70.7	0	0	0	0	112.2	L851 K857 L858 D859 I860 R865	L851-C855 WeakPolarHBondContact O-CB 3.28Å; L851-C855 PolarHBondContact O-N 3.45Å; L851-C855 PolarHBondContact O-SG 2.85Å; L851-C855 VanDerWaalsContact O-SG 3.41Å; C855-K857 VanDerWaalsContact C-N 3.27Å; C855-K857 PolarHBondContact O-N 2.77Å; C855-L858 PolarHBondContact O-N 3.3Å; C855-D859 PolarHBondContact O-N 3.42Å; C855-I860 HydrophobicContact CB-CB 3.92Å; C855-I860 HydrophobicContact CB-CG2 4.13Å; C855-I860 PolarHBondContact O-N 3.01Å; C855-R865 HydrophobicContact CB-CG 4.36Å
856	A	89.8	Confident	91.9	Very high	83 Å²	83	34.7 Å²	34.7	69%	0.686	19%	0.188	S	C	*	.	H	α-helix	trans	-68.3	-22.5	176.5	0	0	0	0	0	114	R852 L854	R852-A856 WeakPolarHBondContact O-CB 3.44Å; R852-A856 PolarHBondContact O-N 3.42Å; R852-A856 VanDerWaalsContact O-N 3.16Å; L854-A856 VanDerWaalsContact C-N 3.3Å; L854-A856 PolarHBondContact O-N 2.67Å
857	K	89.1	Confident	92	Very high	83 Å²	83	37 Å²	37	36%	0.361	20%	0.198	S	C	.	.	H	α-helix	trans	-93.8	-24.3	177	-71.5	169.8	179.3	171.3	0	113.4	D853 L854 C855 C915 T918	D853-K857 WeakPolarHBondContact O-CD 3.46Å; D853-K857 VanDerWaalsContact O-CG 3.3Å; D853-K857 WeakPolarHBondContact O-CG 3.4Å; D853-K857 PolarHBondContact O-N 2.72Å; D853-K857 WeakPolarHBondContact OD1-CE 3.27Å; D853-K857 IonicContact OD1-NZ 2.94Å; D853-K857 PolarHBondContact OD1-NZ 3.35Å; D853-K857 VanDerWaalsContact OD2-CE 3.26Å; D853-K857 WeakPolarHBondContact OD2-CE 3.42Å; D853-K857 IonicContact OD2-NZ 2.96Å; D853-K857 PolarHBondContact OD2-NZ 2.91Å; L854-K857 PolarHBondContact O-N 2.88Å; L854-K857 VanDerWaalsContact O-N 3.08Å; C855-K857 VanDerWaalsContact C-N 3.27Å; C855-K857 PolarHBondContact O-N 2.77Å; K857-C915 HydrophobicContact CB-CB 4.09Å; K857-T918 WeakPolarHBondContact CD-OG1 3.41Å; K857-T918 WeakPolarHBondContact CE-OG1 3.25Å; K857-T918 PolarHBondContact NZ-O 3.27Å; K857-T918 PolarHBondContact NZ-OG1 3.37Å
858	L	91.6	Very high	92.1	Very high	16 Å²	16	37 Å²	37	8%	0.084	20%	0.198	C	C	.	.	H	α-helix	trans	-92.1	-2.3	178.5	-73.8	166.3	0	0	0	113.8	L854 C855 I860 I896 K907 N911 I912 C915	L854-L858 HydrophobicContact CB-CD1 4.44Å; L854-L858 WeakPolarHBondContact O-CB 3.48Å; L854-L858 WeakPolarHBondContact O-CG 3.48Å; L854-L858 PolarHBondContact O-N 3.27Å; C855-L858 PolarHBondContact O-N 3.3Å; L858-I860 HydrophobicContact CB-CD1 3.67Å; L858-I860 HydrophobicContact CB-CG1 3.84Å; L858-I860 HydrophobicContact CD1-CD1 3.91Å; L858-I860 HydrophobicContact CG-CD1 4.44Å; L858-I896 HydrophobicContact CD1-CG2 4.08Å; L858-K907 PolarHBondContact O-NZ 3.37Å; L858-N911 HydrophobicContact CD2-CB 4.45Å; L858-I912 HydrophobicContact CD1-CG1 4.1Å; L858-I912 HydrophobicContact CD2-CG1 4.35Å; L858-C915 HydrophobicContact CD2-CB 4.11Å; L858-C915 WeakPolarHBondContact CD2-SG 3.35Å; L858-C915 HydrophobicContact CG-CB 4.04Å
859	D	91.1	Very high	92.3	Very high	141 Å²	141	37 Å²	37	75%	0.754	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	49.9	68.5	-169.9	-158.6	31.9	0	0	0	111.4	C855 K907	C855-D859 PolarHBondContact O-N 3.42Å; D859-K907 PolarHBondContact O-NZ 3.24Å
860	I	92.4	Very high	92.6	Very high	11 Å²	11	36.4 Å²	36.4	6%	0.056	19%	0.194	C	C	.	.			trans	-112.2	129.8	-178.7	-72.2	174.5	0	0	0	109.1	C855 L858 L864 I868 I896 K907	C855-I860 HydrophobicContact CB-CB 3.92Å; C855-I860 HydrophobicContact CB-CG2 4.13Å; C855-I860 PolarHBondContact O-N 3.01Å; L858-I860 HydrophobicContact CB-CD1 3.67Å; L858-I860 HydrophobicContact CB-CG1 3.84Å; L858-I860 HydrophobicContact CD1-CD1 3.91Å; L858-I860 HydrophobicContact CG-CD1 4.44Å; I860-L864 HydrophobicContact CG2-CB 3.95Å; I860-L864 HydrophobicContact CG2-CD2 3.97Å; I860-L864 HydrophobicContact CG2-CG 3.84Å; I860-I868 HydrophobicContact CD1-CD1 4.18Å; I860-I868 HydrophobicContact CG2-CD1 3.92Å; I860-I896 HydrophobicContact CD1-CG2 3.88Å; I860-K907 HydrophobicContact CD1-CG 4.38Å; I860-K907 HydrophobicContact CG1-CG 4.47Å
861	S	92	Very high	92.8	Very high	46 Å²	46	36.4 Å²	36.4	32%	0.322	19%	0.194	S	C	.	.			trans	-60.1	153.1	-178.2	70	0	0	0	0	113.4	D863 L864 R865 E905	S861-D863 PolarHBondContact O-N 3.27Å; S861-L864 PolarHBondContact O-N 3.04Å; S861-L864 VanDerWaalsContact OG-CB 3.23Å; S861-L864 WeakPolarHBondContact OG-CB 3.44Å; S861-L864 PolarHBondContact OG-N 2.86Å; S861-L864 VanDerWaalsContact OG-N 3.09Å; S861-R865 WeakPolarHBondContact O-CB 3.45Å; S861-R865 PolarHBondContact O-N 3.49Å; S861-E905 PolarHBondContact OG-OE1 2.96Å
862	D	88.4	Confident	92.9	Very high	94 Å²	94	36.4 Å²	36.4	50%	0.503	19%	0.194	S	C	.	.	H	α-helix	trans	-61.9	-29.5	177.2	-97.1	45.5	0	0	0	112.9	R865 K866	D862-R865 IonicContact OD1-CZ 2.81Å; D862-R865 IonicContact OD1-NH1 3.47Å; D862-R865 PolarHBondContact OD1-NH1 3.36Å; D862-R865 IonicContact OD1-NH2 3.97Å; D862-R865 PolarHBondContact OD1-NH2 3.27Å; D862-R865 IonicContact OD2-CZ 3.75Å; D862-R865 IonicContact OD2-NH1 3.94Å; D862-R865 PolarHBondContact OD2-NH1 3.39Å; D862-R865 IonicContact OD2-NH2 2.89Å; D862-R865 PolarHBondContact OD2-NH2 2.68Å; D862-K866 WeakPolarHBondContact O-CG 3.37Å; D862-K866 PolarHBondContact O-N 3.07Å
863	D	90.1	Very high	93.1	Very high	73 Å²	73	34 Å²	34	39%	0.39	19%	0.186	S	C	.	.	H	α-helix	trans	-72.1	-50.1	173.4	172.5	63.2	0	0	0	111.7	S861 R865 K866 K867	S861-D863 PolarHBondContact O-N 3.27Å; D863-R865 VanDerWaalsContact C-N 3.26Å; D863-R865 PolarHBondContact O-N 3.47Å; D863-K866 WeakPolarHBondContact O-CB 3.26Å; D863-K866 PolarHBondContact O-N 2.95Å; D863-K867 PolarHBondContact O-N 3.46Å; D863-K867 WeakPolarHBondContact OD1-CE 3.42Å; D863-K867 IonicContact OD1-NZ 2.77Å; D863-K867 VanDerWaalsContact OD2-CE 3.25Å; D863-K867 WeakPolarHBondContact OD2-CE 3.44Å; D863-K867 IonicContact OD2-NZ 4Å; D863-K867 PolarHBondContact OD2-NZ 3.26Å
864	L	93	Very high	93.4	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-62	-34.4	174.6	179.6	56.1	0	0	0	111.5	I860 S861 K866 K867 I868 M899 A900 T903 E905	I860-L864 HydrophobicContact CG2-CB 3.95Å; I860-L864 HydrophobicContact CG2-CD2 3.97Å; I860-L864 HydrophobicContact CG2-CG 3.84Å; S861-L864 PolarHBondContact O-N 3.04Å; S861-L864 VanDerWaalsContact OG-CB 3.23Å; S861-L864 WeakPolarHBondContact OG-CB 3.44Å; S861-L864 PolarHBondContact OG-N 2.86Å; S861-L864 VanDerWaalsContact OG-N 3.09Å; L864-K866 VanDerWaalsContact C-N 3.34Å; L864-K866 PolarHBondContact O-N 2.92Å; L864-K867 HydrophobicContact CD1-CB 4.34Å; L864-K867 PolarHBondContact O-N 3.34Å; L864-I868 HydrophobicContact CD1-CD1 4.17Å; L864-I868 HydrophobicContact CD1-CG1 4.03Å; L864-I868 HydrophobicContact CD2-CD1 4.48Å; L864-I868 HydrophobicContact CG-CD1 3.79Å; L864-I868 HydrophobicContact CG-CG1 4.21Å; L864-I868 WeakPolarHBondContact O-CB 3.35Å; L864-I868 WeakPolarHBondContact O-CD1 3.21Å; L864-I868 VanDerWaalsContact O-CG1 3.23Å; L864-I868 WeakPolarHBondContact O-CG1 3.31Å; L864-I868 PolarHBondContact O-N 2.95Å; L864-M899 HydrophobicContact CD1-CB 4.1Å; L864-A900 HydrophobicContact CD2-CB 4.45Å; L864-T903 HydrophobicContact CD1-CG2 4.01Å; L864-E905 HydrophobicContact CD2-CB 3.67Å; L864-E905 VanDerWaalsContact CD2-CD 3.41Å; L864-E905 HydrophobicContact CD2-CG 4.06Å; L864-E905 WeakPolarHBondContact CD2-OE2 3.41Å
865	R	94.8	Very high	93.6	Very high	19 Å²	19	35.4 Å²	35.4	7%	0.072	19%	0.191	C	C	.	.	H	α-helix	trans	-59.1	-42	172.2	-174.2	175.9	73.6	-119.8	-1.9	112.2	E629 L851 C855 S861 D862 D863 W869 Y1038	E629-R865 IonicContact OE2-NH2 3.9Å; L851-R865 HydrophobicContact CG-CG 4.5Å; C855-R865 HydrophobicContact CB-CG 4.36Å; S861-R865 WeakPolarHBondContact O-CB 3.45Å; S861-R865 PolarHBondContact O-N 3.49Å; D862-R865 IonicContact OD1-CZ 2.81Å; D862-R865 IonicContact OD1-NH1 3.47Å; D862-R865 PolarHBondContact OD1-NH1 3.36Å; D862-R865 IonicContact OD1-NH2 3.97Å; D862-R865 PolarHBondContact OD1-NH2 3.27Å; D862-R865 IonicContact OD2-CZ 3.75Å; D862-R865 IonicContact OD2-NH1 3.94Å; D862-R865 PolarHBondContact OD2-NH1 3.39Å; D862-R865 IonicContact OD2-NH2 2.89Å; D862-R865 PolarHBondContact OD2-NH2 2.68Å; D863-R865 VanDerWaalsContact C-N 3.26Å; D863-R865 PolarHBondContact O-N 3.47Å; R865-W869 WeakPolarHBondContact O-CB 3.49Å; R865-W869 PolarHBondContact O-N 3.35Å; R865-Y1038 HydrophobicContact CG-CE1 4.4Å
866	K	93.2	Very high	93.6	Very high	59 Å²	59	35.4 Å²	35.4	26%	0.257	19%	0.191	S	C	.	.	H	α-helix	trans	-66.1	-39.2	175.6	-70.3	170.3	-178.9	-179.6	0	111.6	D862 D863 L864 W869 T870 L1035	D862-K866 WeakPolarHBondContact O-CG 3.37Å; D862-K866 PolarHBondContact O-N 3.07Å; D863-K866 WeakPolarHBondContact O-CB 3.26Å; D863-K866 PolarHBondContact O-N 2.95Å; L864-K866 VanDerWaalsContact C-N 3.34Å; L864-K866 PolarHBondContact O-N 2.92Å; K866-W869 PolarHBondContact O-N 3.5Å; K866-T870 WeakPolarHBondContact O-CB 3.15Å; K866-T870 PolarHBondContact O-N 3.17Å; K866-T870 PolarHBondContact O-OG1 3.47Å; K866-L1035 HydrophobicContact CB-CD1 4.11Å
867	K	94.8	Very high	93.8	Very high	48 Å²	48	32.9 Å²	32.9	21%	0.209	17%	0.166	C	C	.	.	H	α-helix	trans	-65.3	-44.4	174.9	-70	167.2	179.8	169.7	0	112.3	D863 L864 T870 C871 M899 T903 Y1024 L1035	D863-K867 PolarHBondContact O-N 3.46Å; D863-K867 WeakPolarHBondContact OD1-CE 3.42Å; D863-K867 IonicContact OD1-NZ 2.77Å; D863-K867 VanDerWaalsContact OD2-CE 3.25Å; D863-K867 WeakPolarHBondContact OD2-CE 3.44Å; D863-K867 IonicContact OD2-NZ 4Å; D863-K867 PolarHBondContact OD2-NZ 3.26Å; L864-K867 HydrophobicContact CD1-CB 4.34Å; L864-K867 PolarHBondContact O-N 3.34Å; K867-T870 PolarHBondContact O-N 3.26Å; K867-C871 PolarHBondContact O-N 3.5Å; K867-M899 HydrophobicContact CB-CE 3.9Å; K867-T903 HydrophobicContact CD-CG2 4.2Å; K867-Y1024 HydrophobicContact CD-CD1 4.47Å; K867-Y1024 HydrophobicContact CG-CD1 4.13Å; K867-Y1024 HydrophobicContact CG-CE1 4.35Å; K867-L1035 HydrophobicContact CG-CD2 3.79Å
868	I	96.8	Very high	93.9	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-60	-46.9	172.7	-66.9	160.5	0	0	0	110.8	L851 I860 L864 T870 C871 F872 A895 I896 M899	L851-I868 HydrophobicContact CD1-CG2 3.68Å; L851-I868 HydrophobicContact CD2-CG2 3.97Å; L851-I868 HydrophobicContact CG-CG2 4.49Å; I860-I868 HydrophobicContact CD1-CD1 4.18Å; I860-I868 HydrophobicContact CG2-CD1 3.92Å; L864-I868 HydrophobicContact CD1-CD1 4.17Å; L864-I868 HydrophobicContact CD1-CG1 4.03Å; L864-I868 HydrophobicContact CD2-CD1 4.48Å; L864-I868 HydrophobicContact CG-CD1 3.79Å; L864-I868 HydrophobicContact CG-CG1 4.21Å; L864-I868 WeakPolarHBondContact O-CB 3.35Å; L864-I868 WeakPolarHBondContact O-CD1 3.21Å; L864-I868 VanDerWaalsContact O-CG1 3.23Å; L864-I868 WeakPolarHBondContact O-CG1 3.31Å; L864-I868 PolarHBondContact O-N 2.95Å; I868-T870 VanDerWaalsContact C-N 3.33Å; I868-T870 PolarHBondContact O-N 3.03Å; I868-C871 PolarHBondContact O-N 2.97Å; I868-F872 WeakPolarHBondContact O-CB 3.35Å; I868-F872 PolarHBondContact O-N 2.95Å; I868-A895 HydrophobicContact CG2-CB 4.19Å; I868-I896 HydrophobicContact CD1-CG1 4.25Å; I868-I896 HydrophobicContact CD1-CG2 4.45Å; I868-I896 HydrophobicContact CG2-CG1 3.81Å; I868-M899 HydrophobicContact CG1-CB 3.7Å; I868-M899 HydrophobicContact CG1-CG 4.36Å
869	W	96.8	Very high	94	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-57.5	-46.2	177.5	177.9	-114.6	0	0	0	112.2	C619 Y844 A847 A848 L851 R865 K866 C871 F872 E873 P1037 Y1038 P1039	C619-W869 HydrophobicContact CB-CZ2 4.3Å; Y844-W869 AromaticContact CD1-CH2 3.81Å; Y844-W869 HydrophobicContact CD1-CH2 3.81Å; Y844-W869 AromaticContact CD1-CZ2 4Å; Y844-W869 HydrophobicContact CD1-CZ2 4Å; Y844-W869 HydrophobicContact CG-CH2 4.3Å; Y844-W869 HydrophobicContact CG-CZ2 4.39Å; Y844-W869 WeakPolarHBondContact O-CH2 3.26Å; A847-W869 HydrophobicContact CB-CH2 4.32Å; A847-W869 HydrophobicContact CB-CZ3 3.89Å; A848-W869 HydrophobicContact CB-CH2 3.97Å; A848-W869 HydrophobicContact CB-CZ3 3.95Å; L851-W869 HydrophobicContact CD2-CB 4.18Å; L851-W869 HydrophobicContact CD2-CE3 3.99Å; R865-W869 WeakPolarHBondContact O-CB 3.49Å; R865-W869 PolarHBondContact O-N 3.35Å; K866-W869 PolarHBondContact O-N 3.5Å; W869-C871 VanDerWaalsContact C-N 3.34Å; W869-C871 PolarHBondContact O-N 2.53Å; W869-F872 AromaticContact CE3-CD1 3.81Å; W869-F872 HydrophobicContact CE3-CD1 3.81Å; W869-F872 HydrophobicContact CE3-CE1 4.34Å; W869-F872 HydrophobicContact CH2-CD1 4.31Å; W869-F872 HydrophobicContact CH2-CE1 4.14Å; W869-F872 AromaticContact CZ3-CD1 3.62Å; W869-F872 HydrophobicContact CZ3-CD1 3.62Å; W869-F872 AromaticContact CZ3-CE1 3.68Å; W869-F872 HydrophobicContact CZ3-CE1 3.68Å; W869-F872 PolarHBondContact O-N 2.73Å; W869-E873 WeakPolarHBondContact O-CB 3.4Å; W869-E873 PolarHBondContact O-N 3.12Å; W869-P1037 PolarHBondContact NE1-O 2.59Å; W869-P1037 VanDerWaalsContact NE1-O 3.08Å; W869-Y1038 HydrophobicContact CB-CD2 3.82Å; W869-Y1038 HydrophobicContact CB-CE2 4.09Å; W869-Y1038 AromaticContact CD1-CD2 3.74Å; W869-Y1038 AromaticContact CD2-CD2 3.64Å; W869-Y1038 HydrophobicContact CD2-CD2 3.64Å; W869-Y1038 AromaticContact CD2-CE2 3.85Å; W869-Y1038 HydrophobicContact CD2-CE2 3.85Å; W869-Y1038 HydrophobicContact CE3-CD2 4.17Å; W869-Y1038 AromaticContact CE3-CE2 3.9Å; W869-Y1038 HydrophobicContact CE3-CE2 3.9Å; W869-Y1038 AromaticContact CG-CD2 3.45Å; W869-Y1038 HydrophobicContact CG-CD2 3.45Å; W869-Y1038 VanDerWaalsContact CG-CD2 3.45Å; W869-Y1038 AromaticContact CG-CE2 3.94Å; W869-Y1038 HydrophobicContact CG-CE2 3.94Å; W869-P1039 HydrophobicContact CH2-CG 4.13Å; W869-P1039 VanDerWaalsContact CZ2-CD 3.44Å; W869-P1039 HydrophobicContact CZ2-CG 3.66Å
870	T	96.1	Very high	94	Very high	4 Å²	4	29.3 Å²	29.3	3%	0.025	15%	0.149	C	C	.	.	H	α-helix	trans	-63.2	-39.4	178.7	-54.1	0	0	0	0	111.6	K866 K867 I868 F874 F1020 Y1024 S1036	K866-T870 WeakPolarHBondContact O-CB 3.15Å; K866-T870 PolarHBondContact O-N 3.17Å; K866-T870 PolarHBondContact O-OG1 3.47Å; K867-T870 PolarHBondContact O-N 3.26Å; I868-T870 VanDerWaalsContact C-N 3.33Å; I868-T870 PolarHBondContact O-N 3.03Å; T870-F874 VanDerWaalsContact O-CB 3.28Å; T870-F874 WeakPolarHBondContact O-CB 3.46Å; T870-F874 PolarHBondContact O-N 3.12Å; T870-F1020 HydrophobicContact CG2-CZ 4.09Å; T870-Y1024 VanDerWaalsContact CG2-OH 3.24Å; T870-Y1024 WeakPolarHBondContact CG2-OH 3.1Å; T870-S1036 WeakPolarHBondContact CG2-OG 3.26Å; T870-S1036 PolarHBondContact OG1-N 2.65Å
871	C	96.9	Very high	93.9	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-67.6	-39.4	173.9	-171.6	0	0	0	0	113.2	K867 I868 W869 S875 M899 I1017 F1020	K867-C871 PolarHBondContact O-N 3.5Å; I868-C871 PolarHBondContact O-N 2.97Å; W869-C871 VanDerWaalsContact C-N 3.34Å; W869-C871 PolarHBondContact O-N 2.53Å; C871-S875 WeakPolarHBondContact O-CB 3.47Å; C871-S875 PolarHBondContact O-N 3.01Å; C871-S875 PolarHBondContact O-OG 2.99Å; C871-M899 HydrophobicContact CB-CG 3.46Å; C871-M899 VanDerWaalsContact CB-CG 3.46Å; C871-M899 HydrophobicContact CB-SD 3.62Å; C871-I1017 VanDerWaalsContact SG-CG2 3.57Å; C871-F1020 HydrophobicContact CB-CE1 4.31Å
872	F	97.4	Very high	94	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-65.7	-45	175	166.2	-98.7	0	0	0	111.7	Y844 A847 I868 W869 S875 I876 L888 L891 L892 A895	Y844-F872 HydrophobicContact CD1-CE1 4.47Å; A847-F872 HydrophobicContact CB-CD1 4.38Å; A847-F872 HydrophobicContact CB-CE1 3.34Å; A847-F872 HydrophobicContact CB-CE2 4.4Å; A847-F872 HydrophobicContact CB-CZ 3.34Å; I868-F872 WeakPolarHBondContact O-CB 3.35Å; I868-F872 PolarHBondContact O-N 2.95Å; W869-F872 AromaticContact CE3-CD1 3.81Å; W869-F872 HydrophobicContact CE3-CD1 3.81Å; W869-F872 HydrophobicContact CE3-CE1 4.34Å; W869-F872 HydrophobicContact CH2-CD1 4.31Å; W869-F872 HydrophobicContact CH2-CE1 4.14Å; W869-F872 AromaticContact CZ3-CD1 3.62Å; W869-F872 HydrophobicContact CZ3-CD1 3.62Å; W869-F872 AromaticContact CZ3-CE1 3.68Å; W869-F872 HydrophobicContact CZ3-CE1 3.68Å; W869-F872 PolarHBondContact O-N 2.73Å; F872-S875 WeakPolarHBondContact O-CB 3.19Å; F872-S875 PolarHBondContact O-N 3.22Å; F872-I876 HydrophobicContact CD2-CD1 4.45Å; F872-I876 HydrophobicContact CE1-CD1 3.85Å; F872-I876 HydrophobicContact CE2-CD1 3.64Å; F872-I876 HydrophobicContact CE2-CG1 4.41Å; F872-I876 HydrophobicContact CZ-CD1 3.29Å; F872-I876 HydrophobicContact CZ-CG1 4.41Å; F872-I876 PolarHBondContact O-N 2.95Å; F872-I876 VanDerWaalsContact O-N 3.16Å; F872-L888 HydrophobicContact CE2-CD1 4.08Å; F872-L888 HydrophobicContact CE2-CG 4.36Å; F872-L888 HydrophobicContact CZ-CD1 3.82Å; F872-L888 HydrophobicContact CZ-CG 4.19Å; F872-L891 HydrophobicContact CD2-CB 4.3Å; F872-L891 HydrophobicContact CE2-CB 4.32Å; F872-L892 HydrophobicContact CB-CD2 4.34Å; F872-L892 HydrophobicContact CD1-CD2 4.09Å; F872-L892 HydrophobicContact CD2-CD2 3.42Å; F872-L892 VanDerWaalsContact CD2-CD2 3.42Å; F872-L892 HydrophobicContact CD2-CG 3.8Å; F872-L892 HydrophobicContact CE1-CD2 4.25Å; F872-L892 HydrophobicContact CE2-CD2 3.59Å; F872-L892 HydrophobicContact CE2-CG 3.63Å; F872-L892 HydrophobicContact CG-CD2 3.67Å; F872-L892 HydrophobicContact CZ-CD2 4.01Å; F872-L892 HydrophobicContact CZ-CG 4.25Å; F872-A895 HydrophobicContact CB-CB 3.97Å
873	E	96.1	Very high	94.4	Very high	14 Å²	14	28.9 Å²	28.9	7%	0.065	14%	0.139	C	C	.	.	H	α-helix	trans	-63.4	-45.8	177.4	-161.3	-156.6	-154.7	0	0	111.1	C619 Y844 W869 S875 I876 I877 S1036	C619-E873 WeakPolarHBondContact CA-OE1 3.47Å; C619-E873 WeakPolarHBondContact CB-OE1 3.36Å; C619-E873 PolarHBondContact N-OE1 3.14Å; Y844-E873 HydrophobicContact CE1-CG 3.73Å; W869-E873 WeakPolarHBondContact O-CB 3.4Å; W869-E873 PolarHBondContact O-N 3.12Å; E873-S875 VanDerWaalsContact C-N 3.28Å; E873-S875 PolarHBondContact O-N 3.48Å; E873-I876 PolarHBondContact O-N 2.74Å; E873-I876 VanDerWaalsContact O-N 3.09Å; E873-I877 HydrophobicContact CG-CD1 3.61Å; E873-I877 HydrophobicContact CG-CG1 4.34Å; E873-I877 WeakPolarHBondContact O-CG1 3.48Å; E873-I877 PolarHBondContact O-N 2.97Å; E873-S1036 WeakPolarHBondContact OE2-CB 3.12Å; E873-S1036 PolarHBondContact OE2-OG 2.72Å
874	F	95.4	Very high	94.6	Very high	52 Å²	52	29 Å²	29	23%	0.228	14%	0.138	C	C	.	.	H	α-helix	trans	-54.9	-43.7	172.5	177.3	-86.5	0	0	0	112	T870 I876 I877 Q878 I1017 F1020	T870-F874 VanDerWaalsContact O-CB 3.28Å; T870-F874 WeakPolarHBondContact O-CB 3.46Å; T870-F874 PolarHBondContact O-N 3.12Å; F874-I876 VanDerWaalsContact C-N 3.26Å; F874-I876 PolarHBondContact O-N 3.21Å; F874-I877 PolarHBondContact O-N 2.86Å; F874-Q878 HydrophobicContact CD2-CB 4.45Å; F874-Q878 HydrophobicContact CD2-CG 3.73Å; F874-Q878 HydrophobicContact CE1-CB 4.29Å; F874-Q878 HydrophobicContact CE2-CB 4.14Å; F874-Q878 HydrophobicContact CE2-CG 3.56Å; F874-Q878 HydrophobicContact CG-CG 4.33Å; F874-Q878 HydrophobicContact CZ-CB 4.03Å; F874-Q878 HydrophobicContact CZ-CG 3.98Å; F874-Q878 PolarHBondContact O-N 2.97Å; F874-I1017 HydrophobicContact CD1-CD1 3.97Å; F874-I1017 HydrophobicContact CE1-CD1 4.02Å; F874-F1020 HydrophobicContact CB-CD1 4.19Å; F874-F1020 HydrophobicContact CB-CE1 3.84Å; F874-F1020 HydrophobicContact CB-CE2 4.2Å; F874-F1020 HydrophobicContact CB-CZ 3.83Å; F874-F1020 HydrophobicContact CD1-CB 3.96Å; F874-F1020 AromaticContact CD1-CD1 3.9Å; F874-F1020 HydrophobicContact CD1-CD1 3.9Å; F874-F1020 HydrophobicContact CD1-CD2 4.05Å; F874-F1020 HydrophobicContact CD1-CE1 4.41Å; F874-F1020 AromaticContact CD1-CG 3.69Å; F874-F1020 HydrophobicContact CD1-CG 3.69Å; F874-F1020 HydrophobicContact CD2-CD1 4.34Å; F874-F1020 AromaticContact CD2-CD2 3.3Å; F874-F1020 HydrophobicContact CD2-CD2 3.3Å; F874-F1020 HydrophobicContact CD2-CE1 4.35Å; F874-F1020 AromaticContact CD2-CE2 3.3Å; F874-F1020 HydrophobicContact CD2-CE2 3.3Å; F874-F1020 AromaticContact CD2-CG 3.84Å; F874-F1020 HydrophobicContact CD2-CG 3.84Å; F874-F1020 AromaticContact CD2-CZ 3.85Å; F874-F1020 HydrophobicContact CD2-CZ 3.85Å; F874-F1020 HydrophobicContact CE1-CB 3.58Å; F874-F1020 HydrophobicContact CE1-CD1 4.4Å; F874-F1020 HydrophobicContact CE1-CD2 4.06Å; F874-F1020 AromaticContact CE1-CG 3.77Å; F874-F1020 HydrophobicContact CE1-CG 3.77Å; F874-F1020 HydrophobicContact CE2-CB 4.25Å; F874-F1020 AromaticContact CE2-CD2 3.28Å; F874-F1020 HydrophobicContact CE2-CD2 3.28Å; F874-F1020 AromaticContact CE2-CE2 3.73Å; F874-F1020 HydrophobicContact CE2-CE2 3.73Å; F874-F1020 AromaticContact CE2-CG 3.88Å; F874-F1020 HydrophobicContact CE2-CG 3.88Å; F874-F1020 HydrophobicContact CG-CB 4.47Å; F874-F1020 AromaticContact CG-CD1 3.88Å; F874-F1020 HydrophobicContact CG-CD1 3.88Å; F874-F1020 AromaticContact CG-CD2 3.7Å; F874-F1020 HydrophobicContact CG-CD2 3.7Å; F874-F1020 AromaticContact CG-CE1 3.95Å; F874-F1020 HydrophobicContact CG-CE1 3.95Å; F874-F1020 AromaticContact CG-CE2 3.76Å; F874-F1020 HydrophobicContact CG-CE2 3.76Å; F874-F1020 AromaticContact CG-CG 3.74Å; F874-F1020 HydrophobicContact CG-CG 3.74Å; F874-F1020 AromaticContact CG-CZ 3.88Å; F874-F1020 HydrophobicContact CG-CZ 3.88Å; F874-F1020 HydrophobicContact CZ-CB 3.74Å; F874-F1020 AromaticContact CZ-CD2 3.7Å; F874-F1020 HydrophobicContact CZ-CD2 3.7Å; F874-F1020 AromaticContact CZ-CG 3.86Å; F874-F1020 HydrophobicContact CZ-CG 3.86Å
875	S	96	Very high	94.6	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-59.5	-36.6	178	-55.2	0	0	0	0	112.3	C871 F872 E873 C879 Y1013 I1017	C871-S875 WeakPolarHBondContact O-CB 3.47Å; C871-S875 PolarHBondContact O-N 3.01Å; C871-S875 PolarHBondContact O-OG 2.99Å; F872-S875 WeakPolarHBondContact O-CB 3.19Å; F872-S875 PolarHBondContact O-N 3.22Å; E873-S875 VanDerWaalsContact C-N 3.28Å; E873-S875 PolarHBondContact O-N 3.48Å; S875-C879 CarbonylContact O-C 3.6Å; S875-C879 VanDerWaalsContact O-C 3.25Å; S875-C879 WeakPolarHBondContact O-CA 3.19Å; S875-C879 VanDerWaalsContact O-CB 3.31Å; S875-C879 WeakPolarHBondContact O-CB 3.13Å; S875-C879 PolarHBondContact O-N 3.41Å; S875-Y1013 PolarHBondContact OG-OH 3.42Å; S875-I1017 WeakPolarHBondContact OG-CD1 3.46Å
876	I	94.3	Very high	94.6	Very high	1 Å²	1	32.6 Å²	32.6	1%	0.005	16%	0.157	C	C	.	.	H	α-helix	trans	-80.7	-36.6	179.1	-75.8	-178.1	0	0	0	112.1	V616 F840 V843 F872 E873 F874 M883 L888 L891	V616-I876 HydrophobicContact CG1-CG2 4.05Å; F840-I876 HydrophobicContact CD1-CG2 4.32Å; F840-I876 HydrophobicContact CE1-CG2 3.68Å; V843-I876 HydrophobicContact CG1-CD1 4.5Å; F872-I876 HydrophobicContact CD2-CD1 4.45Å; F872-I876 HydrophobicContact CE1-CD1 3.85Å; F872-I876 HydrophobicContact CE2-CD1 3.64Å; F872-I876 HydrophobicContact CE2-CG1 4.41Å; F872-I876 HydrophobicContact CZ-CD1 3.29Å; F872-I876 HydrophobicContact CZ-CG1 4.41Å; F872-I876 PolarHBondContact O-N 2.95Å; F872-I876 VanDerWaalsContact O-N 3.16Å; E873-I876 PolarHBondContact O-N 2.74Å; E873-I876 VanDerWaalsContact O-N 3.09Å; F874-I876 VanDerWaalsContact C-N 3.26Å; F874-I876 PolarHBondContact O-N 3.21Å; I876-M883 HydrophobicContact CG1-CG 4.38Å; I876-L888 HydrophobicContact CD1-CD1 3.81Å; I876-L891 HydrophobicContact CG1-CD2 4.23Å
877	I	92.8	Very high	94.7	Very high	29 Å²	29	30.5 Å²	30.5	15%	0.149	15%	0.148	C	C	.	.	H	α-helix	trans	-78.8	-48	-175.7	-64.6	167.7	0	0	0	112.3	V616 T618 E873 F874	V616-I877 HydrophobicContact CB-CG1 4.46Å; V616-I877 HydrophobicContact CG1-CG1 4.12Å; T618-I877 HydrophobicContact CG2-CD1 4.04Å; E873-I877 HydrophobicContact CG-CD1 3.61Å; E873-I877 HydrophobicContact CG-CG1 4.34Å; E873-I877 WeakPolarHBondContact O-CG1 3.48Å; E873-I877 PolarHBondContact O-N 2.97Å; F874-I877 PolarHBondContact O-N 2.86Å
878	Q	92.2	Very high	94.9	Very high	126 Å²	126	28.2 Å²	28.2	59%	0.589	14%	0.138	S	C	*	.	H	α-helix	trans	-92.8	-22.2	-172.8	-58	-62.5	-33.3	0	0	112.7	F874	F874-Q878 HydrophobicContact CD2-CB 4.45Å; F874-Q878 HydrophobicContact CD2-CG 3.73Å; F874-Q878 HydrophobicContact CE1-CB 4.29Å; F874-Q878 HydrophobicContact CE2-CB 4.14Å; F874-Q878 HydrophobicContact CE2-CG 3.56Å; F874-Q878 HydrophobicContact CG-CG 4.33Å; F874-Q878 HydrophobicContact CZ-CB 4.03Å; F874-Q878 HydrophobicContact CZ-CG 3.98Å; F874-Q878 PolarHBondContact O-N 2.97Å
879	C	92.8	Very high	94.9	Very high	16 Å²	16	28.3 Å²	28.3	11%	0.108	14%	0.138	C	C	.	.			trans	-127.9	47.2	-176	-57.5	0	0	0	0	112.4	S875 E881 L882 Q1016	S875-C879 CarbonylContact O-C 3.6Å; S875-C879 VanDerWaalsContact O-C 3.25Å; S875-C879 WeakPolarHBondContact O-CA 3.19Å; S875-C879 VanDerWaalsContact O-CB 3.31Å; S875-C879 WeakPolarHBondContact O-CB 3.13Å; S875-C879 PolarHBondContact O-N 3.41Å; C879-E881 PolarHBondContact O-N 3.25Å; C879-L882 HydrophobicContact CB-CD1 3.51Å; C879-L882 HydrophobicContact CB-CG 3.9Å; C879-L882 VanDerWaalsContact O-CB 3.27Å; C879-L882 WeakPolarHBondContact O-CB 3.07Å; C879-L882 WeakPolarHBondContact O-CG 3.49Å; C879-L882 PolarHBondContact O-N 3.24Å; C879-Q1016 VanDerWaalsContact CB-OE1 3.24Å; C879-Q1016 PolarHBondContact SG-OE1 2.99Å; C879-Q1016 VanDerWaalsContact SG-OE1 3.37Å
880	P	91.5	Very high	94.9	Very high	24 Å²	24	28.7 Å²	28.7	16%	0.156	14%	0.14	C	C	.	.	G	3₁₀ helix	trans	-59.1	-27.6	-171	24.7	-35.2	0	0	0	113.9	W606 V616 L882 M883	W606-P880 WeakPolarHBondContact CH2-O 3.49Å; W606-P880 HydrophobicContact CZ3-CB 4.36Å; V616-P880 HydrophobicContact CG2-CB 4.14Å; P880-L882 PolarHBondContact O-N 3.21Å; P880-L882 VanDerWaalsContact O-N 3.12Å; P880-M883 PolarHBondContact O-N 2.9Å
881	E	91.2	Very high	95	Very high	139 Å²	139	28.5 Å²	28.5	65%	0.65	14%	0.139	S	C	*	.	G	3₁₀ helix	trans	-59	-19.7	173.6	-60.5	-173.7	174.1	0	0	113.9	C879 M883 M884 R886	C879-E881 PolarHBondContact O-N 3.25Å; E881-M883 PolarHBondContact O-N 3.27Å; E881-M884 WeakPolarHBondContact O-CB 3.47Å; E881-M884 PolarHBondContact O-N 3.41Å; E881-R886 PolarHBondContact O-NH1 3.4Å
882	L	94.4	Very high	95	Very high	1 Å²	1	28.5 Å²	28.5	1%	0.005	14%	0.139	C	C	.	.	G	3₁₀ helix	trans	-62	-29	172	-68.7	176.1	0	0	0	112.2	C879 P880 R886 L891 I1012 Y1013 I1017	C879-L882 HydrophobicContact CB-CD1 3.51Å; C879-L882 HydrophobicContact CB-CG 3.9Å; C879-L882 VanDerWaalsContact O-CB 3.27Å; C879-L882 WeakPolarHBondContact O-CB 3.07Å; C879-L882 WeakPolarHBondContact O-CG 3.49Å; C879-L882 PolarHBondContact O-N 3.24Å; P880-L882 PolarHBondContact O-N 3.21Å; P880-L882 VanDerWaalsContact O-N 3.12Å; L882-R886 WeakPolarHBondContact O-CB 3.29Å; L882-R886 WeakPolarHBondContact O-CD 3.45Å; L882-R886 PolarHBondContact O-NH1 3.32Å; L882-L891 HydrophobicContact CB-CD2 4.07Å; L882-I1012 HydrophobicContact CD2-CG2 3.79Å; L882-Y1013 HydrophobicContact CD1-CD2 4.08Å; L882-Y1013 HydrophobicContact CD1-CE2 4.3Å; L882-I1017 HydrophobicContact CD1-CD1 4.3Å; L882-I1017 HydrophobicContact CD1-CG1 4.45Å
883	M	95.4	Very high	95.1	Very high	1 Å²	1	28.5 Å²	28.5	1%	0.005	14%	0.139	C	C	.	.	G	3₁₀ helix	trans	-80.6	-15.9	176.2	-77.2	-61.3	-56.4	0	0	114	W599 I876 P880 E881 D885 R886 L888 L891	W599-M883 HydrophobicContact CB-CE 4.43Å; W599-M883 WeakPolarHBondContact CB-O 3.05Å; W599-M883 HydrophobicContact CD2-CB 3.86Å; W599-M883 HydrophobicContact CD2-CE 3.68Å; W599-M883 HydrophobicContact CD2-CG 4.32Å; W599-M883 HydrophobicContact CE3-CB 3.43Å; W599-M883 VanDerWaalsContact CE3-CB 3.43Å; W599-M883 HydrophobicContact CE3-CE 4.36Å; W599-M883 HydrophobicContact CE3-CG 4.05Å; W599-M883 HydrophobicContact CG-CB 4.37Å; W599-M883 HydrophobicContact CG-CE 3.7Å; W599-M883 HydrophobicContact CH2-CG 4.28Å; W599-M883 HydrophobicContact CZ2-CE 4.18Å; W599-M883 HydrophobicContact CZ3-CB 3.8Å; W599-M883 HydrophobicContact CZ3-CG 4.03Å; I876-M883 HydrophobicContact CG1-CG 4.38Å; P880-M883 PolarHBondContact O-N 2.9Å; E881-M883 PolarHBondContact O-N 3.27Å; M883-D885 PolarHBondContact O-N 3.42Å; M883-R886 PolarHBondContact O-N 3.43Å; M883-L888 HydrophobicContact CE-CB 4.14Å; M883-L888 HydrophobicContact CE-CD1 3.92Å; M883-L888 HydrophobicContact SD-CD1 4Å; M883-L891 HydrophobicContact CG-CD2 3.96Å; M883-L891 HydrophobicContact SD-CD1 3.85Å; M883-L891 HydrophobicContact SD-CD2 3.77Å; M883-L891 HydrophobicContact SD-CG 4.31Å
884	M	94	Very high	95.2	Very high	76 Å²	76	27.9 Å²	27.9	37%	0.374	14%	0.136	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.9	122.7	-177	-172.7	172.7	59.8	0	0	111.2	W599 P601 W606 E881 R886	W599-M884 WeakPolarHBondContact O-CA 3.37Å; P601-M884 HydrophobicContact CB-SD 4.33Å; P601-M884 HydrophobicContact CG-CG 3.86Å; P601-M884 HydrophobicContact CG-SD 4.08Å; W606-M884 HydrophobicContact CH2-CB 4.13Å; W606-M884 HydrophobicContact CZ2-CB 3.83Å; W606-M884 HydrophobicContact CZ2-CG 4.21Å; E881-M884 WeakPolarHBondContact O-CB 3.47Å; E881-M884 PolarHBondContact O-N 3.41Å; M884-R886 PolarHBondContact O-N 2.84Å; M884-R886 PolarHBondContact O-NH1 3.42Å
885	D	93.3	Very high	95.3	Very high	69 Å²	69	25.4 Å²	25.4	37%	0.369	13%	0.125	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.8	28.2	-169.8	-77.3	-37.8	0	0	0	114.9	W599 P601 M883 L931	W599-D885 PolarHBondContact O-N 3.42Å; P601-D885 WeakPolarHBondContact CD-OD1 3.27Å; P601-D885 WeakPolarHBondContact CD-OD2 3.14Å; P601-D885 WeakPolarHBondContact CG-OD2 3.28Å; M883-D885 PolarHBondContact O-N 3.42Å; D885-L931 HydrophobicContact CB-CD2 3.5Å
886	R	94.8	Very high	95.4	Very high	26 Å²	26	25.4 Å²	25.4	10%	0.098	13%	0.125	C	C	.	.			trans	-127.8	168.1	179.8	-69.7	-164.4	-156.1	77.1	6.7	112.7	E881 L882 M883 M884 Q890 L931 F1008	E881-R886 PolarHBondContact O-NH1 3.4Å; L882-R886 WeakPolarHBondContact O-CB 3.29Å; L882-R886 WeakPolarHBondContact O-CD 3.45Å; L882-R886 PolarHBondContact O-NH1 3.32Å; M883-R886 PolarHBondContact O-N 3.43Å; M884-R886 PolarHBondContact O-N 2.84Å; M884-R886 PolarHBondContact O-NH1 3.42Å; R886-Q890 VanDerWaalsContact CB-OE1 3.32Å; R886-L931 HydrophobicContact CG-CB 4.28Å; R886-L931 PolarHBondContact NE-O 3.34Å; R886-L931 PolarHBondContact NH2-O 2.84Å; R886-L931 VanDerWaalsContact NH2-O 3.07Å; R886-F1008 VanDerWaalsContact CD-CE2 3.44Å; R886-F1008 VanDerWaalsContact NE-CE2 3.28Å
887	H	96.7	Very high	95.5	Very high	15 Å²	15	27 Å²	27	7%	0.069	13%	0.132	C	C	.	.			trans	-108.9	134.1	-172.5	-169.5	-81.4	0	0	0	110.4	D595 H596 D889 Q890 V926	D595-H887 CarbonylContact O-C 3.57Å; D595-H887 WeakPolarHBondContact O-CA 3.27Å; D595-H887 IonicContact OD1-CD2 2.76Å; D595-H887 IonicContact OD1-NE2 3.24Å; D595-H887 IonicContact OD2-CE1 2.67Å; D595-H887 IonicContact OD2-NE2 3.8Å; H596-H887 HydrophobicContact CB-CB 4.32Å; H596-H887 AromaticContact CG-CD2 3.77Å; H596-H887 AromaticContact ND1-CD2 3.66Å; H596-H887 AromaticContact ND1-NE2 3.98Å; H887-D889 VanDerWaalsContact CE1-CG 3.5Å; H887-D889 IonicContact CE1-OD2 3.88Å; H887-D889 PolarHBondContact CE1-OD2 2.82Å; H887-D889 WeakPolarHBondContact ND1-CB 3.5Å; H887-D889 PolarHBondContact ND1-N 3.43Å; H887-D889 IonicContact ND1-OD2 3.75Å; H887-D889 PolarHBondContact O-N 3.39Å; H887-D889 VanDerWaalsContact O-N 3.1Å; H887-Q890 HydrophobicContact CB-CG 4.16Å; H887-Q890 WeakPolarHBondContact O-CB 3.28Å; H887-Q890 PolarHBondContact O-N 3.21Å; H887-V926 HydrophobicContact CB-CG1 4.14Å
888	L	97.3	Very high	95.7	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-50.6	-41.4	-174.7	-164.2	68.9	0	0	0	112.9	D595 V843 L846 A847 F872 I876 M883 Q890 L891 L892	D595-L888 HydrophobicContact CB-CB 3.77Å; D595-L888 HydrophobicContact CB-CD2 4.2Å; D595-L888 WeakPolarHBondContact O-CB 3.23Å; D595-L888 PolarHBondContact O-N 3.18Å; V843-L888 HydrophobicContact CG1-CD1 3.83Å; V843-L888 HydrophobicContact CG1-CD2 4.19Å; L846-L888 HydrophobicContact CD2-CD2 4.3Å; L846-L888 HydrophobicContact CG-CD2 4.4Å; A847-L888 HydrophobicContact CB-CD2 4.17Å; F872-L888 HydrophobicContact CE2-CD1 4.08Å; F872-L888 HydrophobicContact CE2-CG 4.36Å; F872-L888 HydrophobicContact CZ-CD1 3.82Å; F872-L888 HydrophobicContact CZ-CG 4.19Å; I876-L888 HydrophobicContact CD1-CD1 3.81Å; M883-L888 HydrophobicContact CE-CB 4.14Å; M883-L888 HydrophobicContact CE-CD1 3.92Å; M883-L888 HydrophobicContact SD-CD1 4Å; L888-Q890 PolarHBondContact O-N 3.05Å; L888-L891 PolarHBondContact O-N 2.87Å; L888-L892 PolarHBondContact O-N 3.43Å
889	D	97.4	Very high	95.9	Very high	2 Å²	2	19.9 Å²	19.9	1%	0.011	10%	0.098	C	C	.	.	H	α-helix	trans	-66.1	-21.3	-179.9	-58	-4.3	0	0	0	113.4	R850 H887 L892 M893 Y916 Q921 V926	R850-D889 VanDerWaalsContact CD-OD1 3.26Å; R850-D889 WeakPolarHBondContact CD-OD1 3.19Å; R850-D889 IonicContact CZ-OD1 2.84Å; R850-D889 IonicContact NE-OD1 2.58Å; R850-D889 IonicContact NH1-OD1 3.93Å; R850-D889 PolarHBondContact NH1-OD1 3.01Å; R850-D889 IonicContact NH1-OD2 2.76Å; R850-D889 PolarHBondContact NH1-OD2 2.69Å; H887-D889 VanDerWaalsContact CE1-CG 3.5Å; H887-D889 IonicContact CE1-OD2 3.88Å; H887-D889 PolarHBondContact CE1-OD2 2.82Å; H887-D889 WeakPolarHBondContact ND1-CB 3.5Å; H887-D889 PolarHBondContact ND1-N 3.43Å; H887-D889 IonicContact ND1-OD2 3.75Å; H887-D889 PolarHBondContact O-N 3.39Å; H887-D889 VanDerWaalsContact O-N 3.1Å; D889-L892 PolarHBondContact O-N 2.95Å; D889-M893 HydrophobicContact CB-CE 4.43Å; D889-M893 WeakPolarHBondContact O-CB 3.43Å; D889-M893 VanDerWaalsContact O-CE 3.32Å; D889-M893 WeakPolarHBondContact O-CE 3.31Å; D889-M893 WeakPolarHBondContact O-CG 3.41Å; D889-M893 PolarHBondContact O-N 2.74Å; D889-Y916 HydrophobicContact CB-CE2 3.71Å; D889-Y916 WeakPolarHBondContact OD2-CE2 3.24Å; D889-Y916 PolarHBondContact OD2-OH 3.16Å; D889-Q921 WeakPolarHBondContact OD2-CG 3.43Å; D889-Q921 PolarHBondContact OD2-NE2 3.32Å; D889-V926 HydrophobicContact CB-CG1 4.31Å
890	Q	97.6	Very high	95.9	Very high	7 Å²	7	19.1 Å²	19.1	3%	0.033	9%	0.092	C	C	.	.	H	α-helix	trans	-66.4	-48.3	172.7	-65.9	161.8	-14.5	0	0	110.1	R886 H887 L888 L892 M893 C894 V926 V930 L1005	R886-Q890 VanDerWaalsContact CB-OE1 3.32Å; H887-Q890 HydrophobicContact CB-CG 4.16Å; H887-Q890 WeakPolarHBondContact O-CB 3.28Å; H887-Q890 PolarHBondContact O-N 3.21Å; L888-Q890 PolarHBondContact O-N 3.05Å; Q890-L892 VanDerWaalsContact C-N 3.33Å; Q890-L892 PolarHBondContact O-N 2.95Å; Q890-M893 PolarHBondContact O-N 3.28Å; Q890-C894 WeakPolarHBondContact O-CB 3.49Å; Q890-C894 PolarHBondContact O-N 2.93Å; Q890-C894 PolarHBondContact O-SG 2.99Å; Q890-V926 HydrophobicContact CG-CG1 3.95Å; Q890-V926 WeakPolarHBondContact CG-O 3.11Å; Q890-V926 PolarHBondContact NE2-O 2.94Å; Q890-V930 HydrophobicContact CG-CG1 4.44Å; Q890-V930 HydrophobicContact CG-CG2 4.4Å; Q890-L1005 HydrophobicContact CB-CD1 3.94Å; Q890-L1005 HydrophobicContact CG-CD1 4.09Å
891	L	98	Very high	96	Very high	0 Å²	0	23 Å²	23	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-65	-37.1	175.5	-81.7	69.8	0	0	0	111.2	F872 I876 L882 M883 L888 A895 F1008 Y1013	F872-L891 HydrophobicContact CD2-CB 4.3Å; F872-L891 HydrophobicContact CE2-CB 4.32Å; I876-L891 HydrophobicContact CG1-CD2 4.23Å; L882-L891 HydrophobicContact CB-CD2 4.07Å; M883-L891 HydrophobicContact CG-CD2 3.96Å; M883-L891 HydrophobicContact SD-CD1 3.85Å; M883-L891 HydrophobicContact SD-CD2 3.77Å; M883-L891 HydrophobicContact SD-CG 4.31Å; L888-L891 PolarHBondContact O-N 2.87Å; L891-A895 WeakPolarHBondContact O-CB 3.48Å; L891-A895 PolarHBondContact O-N 3.06Å; L891-F1008 HydrophobicContact CD1-CZ 4.48Å; L891-Y1013 HydrophobicContact CG-CE2 4.19Å
892	L	97.5	Very high	96.1	Very high	1 Å²	1	17.4 Å²	17.4	1%	0.005	8%	0.082	C	C	.	.	H	α-helix	trans	-62.6	-47.7	173.7	-73.9	170.8	0	0	0	112.4	A847 R850 L851 F872 L888 D889 Q890 C894 A895 I896	A847-L892 HydrophobicContact CB-CD1 4.3Å; A847-L892 HydrophobicContact CB-CD2 4.39Å; R850-L892 HydrophobicContact CB-CD1 4.2Å; L851-L892 HydrophobicContact CB-CD2 4.21Å; F872-L892 HydrophobicContact CB-CD2 4.34Å; F872-L892 HydrophobicContact CD1-CD2 4.09Å; F872-L892 HydrophobicContact CD2-CD2 3.42Å; F872-L892 VanDerWaalsContact CD2-CD2 3.42Å; F872-L892 HydrophobicContact CD2-CG 3.8Å; F872-L892 HydrophobicContact CE1-CD2 4.25Å; F872-L892 HydrophobicContact CE2-CD2 3.59Å; F872-L892 HydrophobicContact CE2-CG 3.63Å; F872-L892 HydrophobicContact CG-CD2 3.67Å; F872-L892 HydrophobicContact CZ-CD2 4.01Å; F872-L892 HydrophobicContact CZ-CG 4.25Å; L888-L892 PolarHBondContact O-N 3.43Å; D889-L892 PolarHBondContact O-N 2.95Å; Q890-L892 VanDerWaalsContact C-N 3.33Å; Q890-L892 PolarHBondContact O-N 2.95Å; L892-C894 PolarHBondContact O-N 3.02Å; L892-A895 PolarHBondContact O-N 3.22Å; L892-I896 VanDerWaalsContact O-CG1 3.27Å; L892-I896 WeakPolarHBondContact O-CG1 3.42Å; L892-I896 PolarHBondContact O-N 2.93Å
893	M	98	Very high	95.9	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-65.1	-39	178.9	-73	-174.8	-78.5	0	0	112.2	D889 Q890 I896 Y897 I912 M913 Y916 V926 L1005	D889-M893 HydrophobicContact CB-CE 4.43Å; D889-M893 WeakPolarHBondContact O-CB 3.43Å; D889-M893 VanDerWaalsContact O-CE 3.32Å; D889-M893 WeakPolarHBondContact O-CE 3.31Å; D889-M893 WeakPolarHBondContact O-CG 3.41Å; D889-M893 PolarHBondContact O-N 2.74Å; Q890-M893 PolarHBondContact O-N 3.28Å; M893-I896 PolarHBondContact O-N 3.43Å; M893-Y897 PolarHBondContact O-N 3.3Å; M893-I912 HydrophobicContact CB-CG2 3.95Å; M893-I912 HydrophobicContact CG-CG2 3.7Å; M893-I912 HydrophobicContact SD-CG2 4.27Å; M893-M913 HydrophobicContact SD-CG 4.34Å; M893-Y916 HydrophobicContact CE-CD1 3.94Å; M893-Y916 HydrophobicContact CE-CE1 4Å; M893-Y916 HydrophobicContact CE-CG 4.2Å; M893-Y916 HydrophobicContact SD-CD1 3.84Å; M893-Y916 HydrophobicContact SD-CD2 4.25Å; M893-Y916 HydrophobicContact SD-CE1 4.49Å; M893-Y916 HydrophobicContact SD-CG 3.7Å; M893-V926 HydrophobicContact CE-CG1 4.26Å; M893-L1005 HydrophobicContact CB-CD2 3.85Å; M893-L1005 HydrophobicContact CE-CD2 3.81Å; M893-L1005 HydrophobicContact CG-CD2 4.48Å; M893-L1005 HydrophobicContact SD-CD2 3.85Å
894	C	98.1	Very high	95.5	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-68	-37.5	174	-67.8	0	0	0	0	112.8	Q890 L892 Y897 V898 Y1009 Y1013	Q890-C894 WeakPolarHBondContact O-CB 3.49Å; Q890-C894 PolarHBondContact O-N 2.93Å; Q890-C894 PolarHBondContact O-SG 2.99Å; L892-C894 PolarHBondContact O-N 3.02Å; C894-Y897 PolarHBondContact O-N 3.09Å; C894-V898 WeakPolarHBondContact O-CG1 3.34Å; C894-V898 PolarHBondContact O-N 3.01Å; C894-Y1009 HydrophobicContact CB-CD2 4.14Å; C894-Y1013 HydrophobicContact CB-CD1 3.55Å; C894-Y1013 HydrophobicContact CB-CD2 4.05Å; C894-Y1013 HydrophobicContact CB-CE1 3.56Å; C894-Y1013 HydrophobicContact CB-CE2 4.09Å; C894-Y1013 HydrophobicContact CB-CG 3.8Å
895	A	97.8	Very high	95.2	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-66	-39.5	174.6	0	0	0	0	0	112.1	I868 F872 L891 L892 M899	I868-A895 HydrophobicContact CG2-CB 4.19Å; F872-A895 HydrophobicContact CB-CB 3.97Å; L891-A895 WeakPolarHBondContact O-CB 3.48Å; L891-A895 PolarHBondContact O-N 3.06Å; L892-A895 PolarHBondContact O-N 3.22Å; A895-M899 WeakPolarHBondContact O-CB 3.38Å; A895-M899 VanDerWaalsContact O-CG 3.28Å; A895-M899 WeakPolarHBondContact O-CG 3.33Å; A895-M899 PolarHBondContact O-N 2.92Å
896	I	97.6	Very high	94.6	Very high	0 Å²	0	26 Å²	26	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-59.6	-52	171.9	-67.4	162.5	0	0	0	109.9	L851 L854 L858 I860 I868 L892 M893 A900 I912	L851-I896 HydrophobicContact CD1-CD1 3.88Å; L851-I896 HydrophobicContact CD1-CG1 3.8Å; L854-I896 HydrophobicContact CB-CD1 4.02Å; L854-I896 HydrophobicContact CD1-CD1 3.55Å; L854-I896 HydrophobicContact CG-CD1 4.41Å; L858-I896 HydrophobicContact CD1-CG2 4.08Å; I860-I896 HydrophobicContact CD1-CG2 3.88Å; I868-I896 HydrophobicContact CD1-CG1 4.25Å; I868-I896 HydrophobicContact CD1-CG2 4.45Å; I868-I896 HydrophobicContact CG2-CG1 3.81Å; L892-I896 VanDerWaalsContact O-CG1 3.27Å; L892-I896 WeakPolarHBondContact O-CG1 3.42Å; L892-I896 PolarHBondContact O-N 2.93Å; M893-I896 PolarHBondContact O-N 3.43Å; I896-A900 WeakPolarHBondContact O-CB 3.43Å; I896-A900 PolarHBondContact O-N 3.44Å; I896-I912 HydrophobicContact CB-CD1 4.33Å; I896-I912 HydrophobicContact CG2-CD1 3.75Å; I896-I912 HydrophobicContact CG2-CG1 3.99Å
897	Y	97.5	Very high	94.4	Very high	36 Å²	36	26.7 Å²	26.7	14%	0.141	13%	0.125	C	C	.	.	H	α-helix	trans	-61.8	-50.3	-177.3	-178.3	-96.2	0	0	0	112.8	M893 C894 M899 K901 K907 F909 I912 Y1009	M893-Y897 PolarHBondContact O-N 3.3Å; C894-Y897 PolarHBondContact O-N 3.09Å; Y897-M899 VanDerWaalsContact C-N 3.34Å; Y897-M899 PolarHBondContact O-N 3.32Å; Y897-K901 HydrophobicContact CE1-CD 3.95Å; Y897-K901 WeakPolarHBondContact O-CB 3.39Å; Y897-K901 PolarHBondContact O-N 3.44Å; Y897-K901 VanDerWaalsContact O-N 3.08Å; Y897-K901 PolarHBondContact OH-NZ 2.85Å; Y897-K901 VanDerWaalsContact OH-NZ 3.08Å; Y897-K907 WeakPolarHBondContact CD2-O 3.33Å; Y897-F909 HydrophobicContact CD1-CD2 4.11Å; Y897-F909 AromaticContact CD1-CE2 3.35Å; Y897-F909 HydrophobicContact CD1-CE2 3.35Å; Y897-F909 AromaticContact CD1-CZ 3.66Å; Y897-F909 HydrophobicContact CD1-CZ 3.66Å; Y897-F909 HydrophobicContact CD2-CD1 4.46Å; Y897-F909 AromaticContact CD2-CD2 3.61Å; Y897-F909 HydrophobicContact CD2-CD2 3.61Å; Y897-F909 AromaticContact CD2-CE2 3.7Å; Y897-F909 HydrophobicContact CD2-CE2 3.7Å; Y897-F909 HydrophobicContact CD2-CG 4.02Å; Y897-F909 HydrophobicContact CD2-CZ 4.16Å; Y897-F909 HydrophobicContact CE1-CD2 4.25Å; Y897-F909 AromaticContact CE1-CE2 3.69Å; Y897-F909 HydrophobicContact CE1-CE2 3.69Å; Y897-F909 HydrophobicContact CE1-CZ 4.43Å; Y897-F909 AromaticContact CE2-CD2 3.77Å; Y897-F909 HydrophobicContact CE2-CD2 3.77Å; Y897-F909 HydrophobicContact CE2-CE2 4.01Å; Y897-F909 HydrophobicContact CE2-CG 4.46Å; Y897-F909 HydrophobicContact CG-CD1 4.45Å; Y897-F909 AromaticContact CG-CD2 3.8Å; Y897-F909 HydrophobicContact CG-CD2 3.8Å; Y897-F909 HydrophobicContact CG-CE1 4.07Å; Y897-F909 AromaticContact CG-CE2 3.36Å; Y897-F909 HydrophobicContact CG-CE2 3.36Å; Y897-F909 HydrophobicContact CG-CG 4.32Å; Y897-F909 AromaticContact CG-CZ 3.51Å; Y897-F909 HydrophobicContact CG-CZ 3.51Å; Y897-I912 HydrophobicContact CD2-CD1 4.2Å; Y897-Y1009 HydrophobicContact CD1-CD1 4.4Å; Y897-Y1009 HydrophobicContact CD1-CD2 4.37Å; Y897-Y1009 AromaticContact CD1-CE1 3.86Å; Y897-Y1009 HydrophobicContact CD1-CE1 3.86Å; Y897-Y1009 AromaticContact CD1-CE2 3.81Å; Y897-Y1009 HydrophobicContact CD1-CE2 3.81Å; Y897-Y1009 AromaticContact CD1-CZ 3.53Å; Y897-Y1009 HydrophobicContact CE1-CD1 4.34Å; Y897-Y1009 AromaticContact CE1-CE1 3.62Å; Y897-Y1009 HydrophobicContact CE1-CE1 3.62Å; Y897-Y1009 HydrophobicContact CE1-CE2 4.38Å; Y897-Y1009 AromaticContact CE1-CZ 3.64Å
898	V	96.6	Very high	94.2	Very high	4 Å²	4	28.2 Å²	28.2	2%	0.024	14%	0.137	C	C	.	.	H	α-helix	trans	-65.4	-38.7	-176	77.2	0	0	0	0	111.9	C894 K901 V902 Y1009 Y1013 I1014 I1017 A1021	C894-V898 WeakPolarHBondContact O-CG1 3.34Å; C894-V898 PolarHBondContact O-N 3.01Å; V898-K901 PolarHBondContact O-N 2.7Å; V898-V902 PolarHBondContact O-N 2.93Å; V898-V902 VanDerWaalsContact O-N 3.1Å; V898-Y1009 HydrophobicContact CB-CE2 4.16Å; V898-Y1009 HydrophobicContact CG2-CE2 4.46Å; V898-Y1013 HydrophobicContact CG1-CE1 4.21Å; V898-I1014 HydrophobicContact CG2-CD1 3.66Å; V898-I1017 HydrophobicContact CG1-CG2 4.44Å; V898-A1021 HydrophobicContact CG1-CB 4.39Å; V898-A1021 HydrophobicContact CG2-CB 3.79Å
899	M	95.7	Very high	93.9	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-76.1	-40.6	-177.7	-65.4	-52	-64.4	0	0	112.3	L864 K867 I868 C871 A895 Y897 K901 V902 T903 A1021 Y1024	L864-M899 HydrophobicContact CD1-CB 4.1Å; K867-M899 HydrophobicContact CB-CE 3.9Å; I868-M899 HydrophobicContact CG1-CB 3.7Å; I868-M899 HydrophobicContact CG1-CG 4.36Å; C871-M899 HydrophobicContact CB-CG 3.46Å; C871-M899 VanDerWaalsContact CB-CG 3.46Å; C871-M899 HydrophobicContact CB-SD 3.62Å; A895-M899 WeakPolarHBondContact O-CB 3.38Å; A895-M899 VanDerWaalsContact O-CG 3.28Å; A895-M899 WeakPolarHBondContact O-CG 3.33Å; A895-M899 PolarHBondContact O-N 2.92Å; Y897-M899 VanDerWaalsContact C-N 3.34Å; Y897-M899 PolarHBondContact O-N 3.32Å; M899-K901 PolarHBondContact O-N 2.91Å; M899-V902 HydrophobicContact CE-CG2 4.13Å; M899-V902 WeakPolarHBondContact O-CG2 3.41Å; M899-V902 PolarHBondContact O-N 3.24Å; M899-V902 HydrophobicContact SD-CG2 4.13Å; M899-T903 WeakPolarHBondContact O-CG2 3.24Å; M899-T903 PolarHBondContact O-N 3.09Å; M899-T903 VanDerWaalsContact O-N 3.13Å; M899-T903 PolarHBondContact O-OG1 3.17Å; M899-A1021 HydrophobicContact SD-CB 4Å; M899-Y1024 HydrophobicContact CE-CD1 4.42Å; M899-Y1024 HydrophobicContact CE-CD2 3.56Å; M899-Y1024 HydrophobicContact CE-CE2 4.27Å; M899-Y1024 HydrophobicContact CE-CG 3.63Å
900	A	94.4	Very high	93.6	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-54.5	-43.2	170.1	0	0	0	0	0	111.7	L864 I896 T903 K904 E905 K907	L864-A900 HydrophobicContact CD2-CB 4.45Å; I896-A900 WeakPolarHBondContact O-CB 3.43Å; I896-A900 PolarHBondContact O-N 3.44Å; A900-T903 PolarHBondContact O-OG1 3.22Å; A900-K904 PolarHBondContact O-N 3.45Å; A900-K904 VanDerWaalsContact O-N 3.13Å; A900-E905 WeakPolarHBondContact CB-O 3.49Å; A900-E905 CarbonylContact O-C 3.58Å; A900-E905 PolarHBondContact O-N 2.73Å; A900-K907 HydrophobicContact CB-CB 4.45Å; A900-K907 HydrophobicContact CB-CG 4.17Å
901	K	93.4	Very high	93.2	Very high	105 Å²	105	37.7 Å²	37.7	46%	0.457	18%	0.183	S	C	.	.	H	α-helix	trans	-69.4	-40.8	-178.3	-169.8	157.3	-170	164.1	0	113.9	Y897 V898 M899 D906	Y897-K901 HydrophobicContact CE1-CD 3.95Å; Y897-K901 WeakPolarHBondContact O-CB 3.39Å; Y897-K901 PolarHBondContact O-N 3.44Å; Y897-K901 VanDerWaalsContact O-N 3.08Å; Y897-K901 PolarHBondContact OH-NZ 2.85Å; Y897-K901 VanDerWaalsContact OH-NZ 3.08Å; V898-K901 PolarHBondContact O-N 2.7Å; M899-K901 PolarHBondContact O-N 2.91Å; K901-D906 WeakPolarHBondContact CG-OD1 3.17Å
902	V	92.6	Very high	93	Very high	22 Å²	22	37.7 Å²	37.7	13%	0.133	18%	0.183	C	C	.	.	H	α-helix	trans	-75.1	-23.5	177.2	-60.2	0	0	0	0	113.4	V898 M899 A1021 M1022	V898-V902 PolarHBondContact O-N 2.93Å; V898-V902 VanDerWaalsContact O-N 3.1Å; M899-V902 HydrophobicContact CE-CG2 4.13Å; M899-V902 WeakPolarHBondContact O-CG2 3.41Å; M899-V902 PolarHBondContact O-N 3.24Å; M899-V902 HydrophobicContact SD-CG2 4.13Å; V902-A1021 HydrophobicContact CG1-CB 4.2Å; V902-M1022 HydrophobicContact CG1-SD 4.22Å
903	T	89.8	Confident	92.7	Very high	17 Å²	17	38.6 Å²	38.6	10%	0.104	19%	0.188	C	C	.	.	H	α-helix	trans	-88	-9.7	175.3	60	0	0	0	0	114.3	L864 K867 M899 A900 Q1026	L864-T903 HydrophobicContact CD1-CG2 4.01Å; K867-T903 HydrophobicContact CD-CG2 4.2Å; M899-T903 WeakPolarHBondContact O-CG2 3.24Å; M899-T903 PolarHBondContact O-N 3.09Å; M899-T903 VanDerWaalsContact O-N 3.13Å; M899-T903 PolarHBondContact O-OG1 3.17Å; A900-T903 PolarHBondContact O-OG1 3.22Å; T903-Q1026 PolarHBondContact O-NE2 2.77Å
904	K	87.8	Confident	92.2	Very high	148 Å²	148	45.3 Å²	45.3	64%	0.643	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	69	27.4	-172.1	-49.2	-179.9	-176.7	163.8	0	114.9	A900 Q1026	A900-K904 PolarHBondContact O-N 3.45Å; A900-K904 VanDerWaalsContact O-N 3.13Å; K904-Q1026 VanDerWaalsContact CE-OE1 3.23Å
905	E	86.8	Confident	91.7	Very high	65 Å²	65	46.3 Å²	46.3	30%	0.304	22%	0.22	S	C	.	.			trans	-100.2	45.5	168.3	-70.4	-173	-127.1	0	0	110.5	S861 L864 A900 K907	S861-E905 PolarHBondContact OG-OE1 2.96Å; L864-E905 HydrophobicContact CD2-CB 3.67Å; L864-E905 VanDerWaalsContact CD2-CD 3.41Å; L864-E905 HydrophobicContact CD2-CG 4.06Å; L864-E905 WeakPolarHBondContact CD2-OE2 3.41Å; A900-E905 WeakPolarHBondContact CB-O 3.49Å; A900-E905 CarbonylContact O-C 3.58Å; A900-E905 PolarHBondContact O-N 2.73Å; E905-K907 WeakPolarHBondContact O-CE 3.39Å; E905-K907 WeakPolarHBondContact O-CG 3.4Å; E905-K907 PolarHBondContact O-N 3.09Å
906	D	81.8	Confident	91.3	Very high	99 Å²	99	46.3 Å²	46.3	53%	0.529	22%	0.22	S	C	.	.			trans	-49.4	120.9	-165.4	-89.5	-67.5	0	0	0	114.7	K901	K901-D906 WeakPolarHBondContact CG-OD1 3.17Å
907	K	89.9	Confident	90.8	Very high	40 Å²	40	51.3 Å²	51.3	17%	0.174	24%	0.239	C	C	.	.			trans	-118.4	116.9	172.8	-49.6	-63.5	177.7	160.5	0	108.6	L858 D859 I860 Y897 A900 E905 I912	L858-K907 PolarHBondContact O-NZ 3.37Å; D859-K907 PolarHBondContact O-NZ 3.24Å; I860-K907 HydrophobicContact CD1-CG 4.38Å; I860-K907 HydrophobicContact CG1-CG 4.47Å; Y897-K907 WeakPolarHBondContact CD2-O 3.33Å; A900-K907 HydrophobicContact CB-CB 4.45Å; A900-K907 HydrophobicContact CB-CG 4.17Å; E905-K907 WeakPolarHBondContact O-CE 3.39Å; E905-K907 WeakPolarHBondContact O-CG 3.4Å; E905-K907 PolarHBondContact O-N 3.09Å; K907-I912 HydrophobicContact CB-CD1 4.33Å; K907-I912 HydrophobicContact CB-CG1 4.2Å
908	S	91.9	Very high	90	Very high	47 Å²	47	53.5 Å²	53.5	33%	0.329	26%	0.256	S	S	.	.			trans	-64.2	149	-178.9	74.5	0	0	0	0	112.5	Q910 N911 I912	S908-Q910 PolarHBondContact O-N 3.41Å; S908-N911 PolarHBondContact O-N 3.17Å; S908-N911 VanDerWaalsContact OG-CG 3.26Å; S908-N911 PolarHBondContact OG-N 2.93Å; S908-N911 PolarHBondContact OG-ND2 2.86Å; S908-I912 WeakPolarHBondContact O-CG1 3.29Å; S908-I912 PolarHBondContact O-N 3.48Å
909	F	92.7	Very high	89.3	Confident	12 Å²	12	53.7 Å²	53.7	5%	0.053	26%	0.256	C	S	.	.	H	α-helix	trans	-55.7	-33.4	173.9	-90.7	-64.9	0	0	0	112.5	Y897 I912 M913 L1005 I1006 Y1009	Y897-F909 HydrophobicContact CD1-CD2 4.11Å; Y897-F909 AromaticContact CD1-CE2 3.35Å; Y897-F909 HydrophobicContact CD1-CE2 3.35Å; Y897-F909 AromaticContact CD1-CZ 3.66Å; Y897-F909 HydrophobicContact CD1-CZ 3.66Å; Y897-F909 HydrophobicContact CD2-CD1 4.46Å; Y897-F909 AromaticContact CD2-CD2 3.61Å; Y897-F909 HydrophobicContact CD2-CD2 3.61Å; Y897-F909 AromaticContact CD2-CE2 3.7Å; Y897-F909 HydrophobicContact CD2-CE2 3.7Å; Y897-F909 HydrophobicContact CD2-CG 4.02Å; Y897-F909 HydrophobicContact CD2-CZ 4.16Å; Y897-F909 HydrophobicContact CE1-CD2 4.25Å; Y897-F909 AromaticContact CE1-CE2 3.69Å; Y897-F909 HydrophobicContact CE1-CE2 3.69Å; Y897-F909 HydrophobicContact CE1-CZ 4.43Å; Y897-F909 AromaticContact CE2-CD2 3.77Å; Y897-F909 HydrophobicContact CE2-CD2 3.77Å; Y897-F909 HydrophobicContact CE2-CE2 4.01Å; Y897-F909 HydrophobicContact CE2-CG 4.46Å; Y897-F909 HydrophobicContact CG-CD1 4.45Å; Y897-F909 AromaticContact CG-CD2 3.8Å; Y897-F909 HydrophobicContact CG-CD2 3.8Å; Y897-F909 HydrophobicContact CG-CE1 4.07Å; Y897-F909 AromaticContact CG-CE2 3.36Å; Y897-F909 HydrophobicContact CG-CE2 3.36Å; Y897-F909 HydrophobicContact CG-CG 4.32Å; Y897-F909 AromaticContact CG-CZ 3.51Å; Y897-F909 HydrophobicContact CG-CZ 3.51Å; F909-I912 PolarHBondContact O-N 3.45Å; F909-M913 HydrophobicContact CB-CE 4.24Å; F909-M913 WeakPolarHBondContact O-CB 3.13Å; F909-M913 WeakPolarHBondContact O-CE 3.37Å; F909-M913 VanDerWaalsContact O-CG 3.3Å; F909-M913 WeakPolarHBondContact O-CG 3.3Å; F909-M913 PolarHBondContact O-N 3.05Å; F909-L1005 HydrophobicContact CD1-CD2 4.11Å; F909-L1005 HydrophobicContact CE1-CD2 4.09Å; F909-L1005 HydrophobicContact CE1-CG 4.23Å; F909-I1006 HydrophobicContact CB-CD1 4.01Å; F909-I1006 HydrophobicContact CB-CG1 4.06Å; F909-I1006 HydrophobicContact CD2-CD1 4.45Å; F909-I1006 HydrophobicContact CD2-CG1 3.89Å; F909-I1006 HydrophobicContact CE2-CG1 4.49Å; F909-I1006 HydrophobicContact CG-CD1 4.43Å; F909-I1006 HydrophobicContact CG-CG1 3.96Å; F909-Y1009 AromaticContact CE2-CD1 3.76Å; F909-Y1009 HydrophobicContact CE2-CD1 3.76Å; F909-Y1009 HydrophobicContact CE2-CD2 4.32Å; F909-Y1009 HydrophobicContact CE2-CE1 4.32Å; F909-Y1009 AromaticContact CE2-CG 3.77Å; F909-Y1009 HydrophobicContact CE2-CG 3.77Å; F909-Y1009 HydrophobicContact CZ-CD1 4.09Å; F909-Y1009 AromaticContact CZ-CD2 3.85Å; F909-Y1009 HydrophobicContact CZ-CD2 3.85Å; F909-Y1009 AromaticContact CZ-CG 3.59Å; F909-Y1009 HydrophobicContact CZ-CG 3.59Å
910	Q	89.9	Confident	88.6	Confident	136 Å²	136	56.1 Å²	56.1	64%	0.636	27%	0.272	S	S	*	.	H	α-helix	trans	-61.9	-44.9	173.3	-65	-178.5	-2.9	0	0	112.2	S908 M913 R914	S908-Q910 PolarHBondContact O-N 3.41Å; Q910-M913 PolarHBondContact O-N 3.27Å; Q910-R914 WeakPolarHBondContact O-CB 3.48Å; Q910-R914 PolarHBondContact O-N 3.42Å
911	N	89.9	Confident	88	Confident	60 Å²	60	57.3 Å²	57.3	32%	0.321	28%	0.278	S	S	.	.	H	α-helix	trans	-66.9	-42.4	177.6	-71	-10.5	0	0	0	111.6	L858 S908 R914 C915	L858-N911 HydrophobicContact CD2-CB 4.45Å; S908-N911 PolarHBondContact O-N 3.17Å; S908-N911 VanDerWaalsContact OG-CG 3.26Å; S908-N911 PolarHBondContact OG-N 2.93Å; S908-N911 PolarHBondContact OG-ND2 2.86Å; N911-R914 PolarHBondContact O-N 2.97Å; N911-R914 VanDerWaalsContact OD1-CZ 3.3Å; N911-R914 PolarHBondContact OD1-NH1 1.81Å; N911-R914 PolarHBondContact OD1-NH2 2.58Å; N911-C915 PolarHBondContact O-N 3.5Å; N911-C915 VanDerWaalsContact O-N 3.09Å; N911-C915 PolarHBondContact O-SG 3.05Å; N911-C915 VanDerWaalsContact O-SG 3.36Å
912	I	93.8	Very high	87.6	Confident	0 Å²	0	53.8 Å²	53.8	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-59.1	-50.4	174.8	-63.8	167	0	0	0	110.2	L858 M893 I896 Y897 K907 S908 F909 R914 C915 Y916	L858-I912 HydrophobicContact CD1-CG1 4.1Å; L858-I912 HydrophobicContact CD2-CG1 4.35Å; M893-I912 HydrophobicContact CB-CG2 3.95Å; M893-I912 HydrophobicContact CG-CG2 3.7Å; M893-I912 HydrophobicContact SD-CG2 4.27Å; I896-I912 HydrophobicContact CB-CD1 4.33Å; I896-I912 HydrophobicContact CG2-CD1 3.75Å; I896-I912 HydrophobicContact CG2-CG1 3.99Å; Y897-I912 HydrophobicContact CD2-CD1 4.2Å; K907-I912 HydrophobicContact CB-CD1 4.33Å; K907-I912 HydrophobicContact CB-CG1 4.2Å; S908-I912 WeakPolarHBondContact O-CG1 3.29Å; S908-I912 PolarHBondContact O-N 3.48Å; F909-I912 PolarHBondContact O-N 3.45Å; I912-R914 PolarHBondContact O-N 3.21Å; I912-C915 PolarHBondContact O-N 3.04Å; I912-Y916 WeakPolarHBondContact O-CB 3.41Å; I912-Y916 PolarHBondContact O-N 3.31Å
913	M	91.6	Very high	87	Confident	20 Å²	20	57.5 Å²	57.5	10%	0.099	28%	0.28	C	S	.	.	H	α-helix	trans	-64.5	-34.9	177.1	-73.8	-173.3	-78.9	0	0	113.1	M893 F909 Q910 C915 Y916 R917 Y927	M893-M913 HydrophobicContact SD-CG 4.34Å; F909-M913 HydrophobicContact CB-CE 4.24Å; F909-M913 WeakPolarHBondContact O-CB 3.13Å; F909-M913 WeakPolarHBondContact O-CE 3.37Å; F909-M913 VanDerWaalsContact O-CG 3.3Å; F909-M913 WeakPolarHBondContact O-CG 3.3Å; F909-M913 PolarHBondContact O-N 3.05Å; Q910-M913 PolarHBondContact O-N 3.27Å; M913-C915 VanDerWaalsContact C-N 3.34Å; M913-Y916 PolarHBondContact O-N 3.46Å; M913-R917 WeakPolarHBondContact O-CD 3.31Å; M913-R917 WeakPolarHBondContact O-CG 3.29Å; M913-R917 PolarHBondContact O-N 3Å; M913-Y927 HydrophobicContact CG-CD2 4.41Å; M913-Y927 HydrophobicContact CG-CG 4.19Å; M913-Y927 HydrophobicContact SD-CD2 3.38Å; M913-Y927 WeakPolarHBondContact SD-CD2 2.98Å; M913-Y927 HydrophobicContact SD-CE2 4.14Å; M913-Y927 HydrophobicContact SD-CG 3.63Å
914	R	85.9	Confident	86.4	Confident	141 Å²	141	58.9 Å²	58.9	53%	0.532	29%	0.29	S	S	.	.	H	α-helix	trans	-60.3	-45.1	174.7	-166	-170.6	-57	108.9	6.2	110.7	Q910 N911 I912	Q910-R914 WeakPolarHBondContact O-CB 3.48Å; Q910-R914 PolarHBondContact O-N 3.42Å; N911-R914 PolarHBondContact O-N 2.97Å; N911-R914 VanDerWaalsContact OD1-CZ 3.3Å; N911-R914 PolarHBondContact OD1-NH1 1.81Å; N911-R914 PolarHBondContact OD1-NH2 2.58Å; I912-R914 PolarHBondContact O-N 3.21Å
915	C	87.4	Confident	86.1	Confident	20 Å²	20	56 Å²	56	14%	0.135	28%	0.279	C	S	.	.	H	α-helix	trans	-69	-41.1	176.4	-61.3	0	0	0	0	111.7	L854 K857 L858 N911 I912 M913 R917 T918	L854-C915 HydrophobicContact CD2-CB 4.41Å; K857-C915 HydrophobicContact CB-CB 4.09Å; L858-C915 HydrophobicContact CD2-CB 4.11Å; L858-C915 WeakPolarHBondContact CD2-SG 3.35Å; L858-C915 HydrophobicContact CG-CB 4.04Å; N911-C915 PolarHBondContact O-N 3.5Å; N911-C915 VanDerWaalsContact O-N 3.09Å; N911-C915 PolarHBondContact O-SG 3.05Å; N911-C915 VanDerWaalsContact O-SG 3.36Å; I912-C915 PolarHBondContact O-N 3.04Å; M913-C915 VanDerWaalsContact C-N 3.34Å; C915-R917 VanDerWaalsContact C-N 3.35Å; C915-R917 PolarHBondContact O-N 2.89Å; C915-T918 WeakPolarHBondContact O-CB 3.37Å; C915-T918 PolarHBondContact O-N 3.37Å; C915-T918 VanDerWaalsContact O-N 3.1Å; C915-T918 PolarHBondContact O-OG1 3.08Å
916	Y	89.6	Confident	86.2	Confident	0 Å²	0	53.1 Å²	53.1	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-56.5	-43.6	178.1	178.5	-115.9	0	0	0	113.4	L854 D889 M893 I912 M913 T918 Q919 A922 V926 Y927	L854-Y916 HydrophobicContact CD2-CD2 4.48Å; D889-Y916 HydrophobicContact CB-CE2 3.71Å; D889-Y916 WeakPolarHBondContact OD2-CE2 3.24Å; D889-Y916 PolarHBondContact OD2-OH 3.16Å; M893-Y916 HydrophobicContact CE-CD1 3.94Å; M893-Y916 HydrophobicContact CE-CE1 4Å; M893-Y916 HydrophobicContact CE-CG 4.2Å; M893-Y916 HydrophobicContact SD-CD1 3.84Å; M893-Y916 HydrophobicContact SD-CD2 4.25Å; M893-Y916 HydrophobicContact SD-CE1 4.49Å; M893-Y916 HydrophobicContact SD-CG 3.7Å; I912-Y916 WeakPolarHBondContact O-CB 3.41Å; I912-Y916 PolarHBondContact O-N 3.31Å; M913-Y916 PolarHBondContact O-N 3.46Å; Y916-T918 PolarHBondContact O-N 3Å; Y916-Q919 WeakPolarHBondContact O-CB 3.33Å; Y916-Q919 PolarHBondContact O-N 3.31Å; Y916-A922 HydrophobicContact CD1-CB 4.02Å; Y916-A922 HydrophobicContact CD2-CB 4.45Å; Y916-A922 HydrophobicContact CE1-CB 3.67Å; Y916-A922 HydrophobicContact CE2-CB 4.12Å; Y916-A922 HydrophobicContact CG-CB 4.4Å; Y916-A922 VanDerWaalsContact O-CB 3.22Å; Y916-A922 WeakPolarHBondContact O-CB 3.38Å; Y916-V926 HydrophobicContact CE1-CB 4.3Å; Y916-V926 HydrophobicContact CE1-CG1 4.23Å; Y916-Y927 AromaticContact CD1-CD1 3.93Å; Y916-Y927 HydrophobicContact CD1-CD1 3.93Å; Y916-Y927 HydrophobicContact CD1-CE1 4.24Å; Y916-Y927 HydrophobicContact CE1-CD1 4.05Å; Y916-Y927 HydrophobicContact CE1-CE1 4.43Å
917	R	86.7	Confident	86.5	Confident	105 Å²	105	49.6 Å²	49.6	40%	0.396	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-8.9	177.7	-69.2	159.3	-166.8	158	6.9	114.7	M913 C915 Y927	M913-R917 WeakPolarHBondContact O-CD 3.31Å; M913-R917 WeakPolarHBondContact O-CG 3.29Å; M913-R917 PolarHBondContact O-N 3Å; C915-R917 VanDerWaalsContact C-N 3.35Å; C915-R917 PolarHBondContact O-N 2.89Å; R917-Y927 HydrophobicContact CG-CE1 4.14Å; R917-Y927 VanDerWaalsContact NE-CZ 3.33Å; R917-Y927 PolarHBondContact NE-OH 3.41Å; R917-Y927 VanDerWaalsContact NH2-CE2 3.32Å
918	T	80.9	Confident	86.2	Confident	82 Å²	82	53 Å²	53	50%	0.503	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.7	7	174.5	73.2	0	0	0	0	113.7	K857 C915 Y916	K857-T918 WeakPolarHBondContact CD-OG1 3.41Å; K857-T918 WeakPolarHBondContact CE-OG1 3.25Å; K857-T918 PolarHBondContact NZ-O 3.27Å; K857-T918 PolarHBondContact NZ-OG1 3.37Å; C915-T918 WeakPolarHBondContact O-CB 3.37Å; C915-T918 PolarHBondContact O-N 3.37Å; C915-T918 VanDerWaalsContact O-N 3.1Å; C915-T918 PolarHBondContact O-OG1 3.08Å; Y916-T918 PolarHBondContact O-N 3Å
919	Q	83	Confident	85.8	Confident	8 Å²	8	52.8 Å²	52.8	4%	0.037	26%	0.255	C	S	.	.	S	Bend	trans	-96	143.2	175.6	-61.2	-158.8	-28	0	0	111.8	L403 R850 D853 L854 Y916 Q921 A922	L403-Q919 HydrophobicContact CD1-CB 4.06Å; L403-Q919 HydrophobicContact CD1-CG 4.03Å; R850-Q919 PolarHBondContact O-NE2 3.27Å; D853-Q919 WeakPolarHBondContact OD2-CG 3.45Å; D853-Q919 PolarHBondContact OD2-NE2 3.36Å; L854-Q919 HydrophobicContact CD2-CG 4.43Å; Y916-Q919 WeakPolarHBondContact O-CB 3.33Å; Y916-Q919 PolarHBondContact O-N 3.31Å; Q919-Q921 PolarHBondContact O-N 3.22Å; Q919-Q921 VanDerWaalsContact O-N 3.11Å; Q919-A922 WeakPolarHBondContact O-CB 3.39Å; Q919-A922 PolarHBondContact O-N 3.34Å
920	P	79.7	Confident	85.7	Confident	51 Å²	51	52.2 Å²	52.2	33%	0.331	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56	-29.6	-173.9	-27.9	36.4	0	0	0	116.1	L403	L403-P920 HydrophobicContact CD2-CG 4.12Å; L403-P920 HydrophobicContact CG-CG 3.98Å
921	Q	83.4	Confident	85.7	Confident	26 Å²	26	46 Å²	46	12%	0.121	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.8	-10.2	-178.9	80.2	-75.9	1.2	0	0	114	D889 Q919 R923	D889-Q921 WeakPolarHBondContact OD2-CG 3.43Å; D889-Q921 PolarHBondContact OD2-NE2 3.32Å; Q919-Q921 PolarHBondContact O-N 3.22Å; Q919-Q921 VanDerWaalsContact O-N 3.11Å; Q921-R923 PolarHBondContact O-N 3.32Å
922	A	84.5	Confident	85.6	Confident	30 Å²	30	44.2 Å²	44.2	25%	0.248	21%	0.214	C	C	.	.			trans	-69	121.8	-164	0	0	0	0	0	112.7	Y916 Q919	Y916-A922 HydrophobicContact CD1-CB 4.02Å; Y916-A922 HydrophobicContact CD2-CB 4.45Å; Y916-A922 HydrophobicContact CE1-CB 3.67Å; Y916-A922 HydrophobicContact CE2-CB 4.12Å; Y916-A922 HydrophobicContact CG-CB 4.4Å; Y916-A922 VanDerWaalsContact O-CB 3.22Å; Y916-A922 WeakPolarHBondContact O-CB 3.38Å; Q919-A922 WeakPolarHBondContact O-CB 3.39Å; Q919-A922 PolarHBondContact O-N 3.34Å
923	R	80	Confident	85.1	Confident	100 Å²	100	48 Å²	48	38%	0.377	23%	0.231	S	C	.	.			trans	-119.2	149.4	176.7	-60.7	178.8	-175.6	163.3	5.3	110.9	Q921 Q925 V926	Q921-R923 PolarHBondContact O-N 3.32Å; R923-Q925 VanDerWaalsContact C-N 3.31Å; R923-Q925 HydrophobicContact CB-CG 3.99Å; R923-Q925 PolarHBondContact O-N 3.1Å; R923-V926 HydrophobicContact CB-CG2 4.2Å; R923-V926 WeakPolarHBondContact O-CB 2.86Å; R923-V926 PolarHBondContact O-N 3.08Å
924	S	78.1	Confident	84.1	Confident	46 Å²	46	48.9 Å²	48.9	32%	0.322	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.5	-47.2	176.8	47.1	0	0	0	0	112.5	V926 Y927 R928	S924-V926 PolarHBondContact O-N 3.17Å; S924-V926 VanDerWaalsContact O-N 3.11Å; S924-Y927 PolarHBondContact O-N 3.42Å; S924-R928 WeakPolarHBondContact O-CB 3.34Å; S924-R928 PolarHBondContact O-N 3.49Å
925	Q	80.4	Confident	83	Confident	88 Å²	88	48.4 Å²	48.4	41%	0.411	25%	0.246	S	C	.	.	H	α-helix	trans	-53.8	-31.8	-179.3	70.5	-171.5	29.2	0	0	113.6	R923 Y927 S929	R923-Q925 VanDerWaalsContact C-N 3.31Å; R923-Q925 HydrophobicContact CB-CG 3.99Å; R923-Q925 PolarHBondContact O-N 3.1Å; Q925-Y927 PolarHBondContact O-N 2.93Å; Q925-S929 CarbonylContact O-C 3.59Å; Q925-S929 PolarHBondContact O-N 3.36Å
926	V	89	Confident	81	Confident	4 Å²	4	56.8 Å²	56.8	2%	0.024	28%	0.275	C	S	.	.	H	α-helix	trans	-64	-29	-175.3	179.7	0	0	0	0	111.9	H887 D889 Q890 M893 Y916 R923 S924 V930	H887-V926 HydrophobicContact CB-CG1 4.14Å; D889-V926 HydrophobicContact CB-CG1 4.31Å; Q890-V926 HydrophobicContact CG-CG1 3.95Å; Q890-V926 WeakPolarHBondContact CG-O 3.11Å; Q890-V926 PolarHBondContact NE2-O 2.94Å; M893-V926 HydrophobicContact CE-CG1 4.26Å; Y916-V926 HydrophobicContact CE1-CB 4.3Å; Y916-V926 HydrophobicContact CE1-CG1 4.23Å; R923-V926 HydrophobicContact CB-CG2 4.2Å; R923-V926 WeakPolarHBondContact O-CB 2.86Å; R923-V926 PolarHBondContact O-N 3.08Å; S924-V926 PolarHBondContact O-N 3.17Å; S924-V926 VanDerWaalsContact O-N 3.11Å; V926-V930 WeakPolarHBondContact O-CG2 3.33Å
927	Y	87.5	Confident	78.7	Confident	26 Å²	26	66.3 Å²	66.3	10%	0.102	32%	0.316	C	S	.	.	H	α-helix	trans	-119	-7.7	177.7	59.5	-98.5	0	0	0	114.7	M913 Y916 R917 S924 Q925 L1005	M913-Y927 HydrophobicContact CG-CD2 4.41Å; M913-Y927 HydrophobicContact CG-CG 4.19Å; M913-Y927 HydrophobicContact SD-CD2 3.38Å; M913-Y927 WeakPolarHBondContact SD-CD2 2.98Å; M913-Y927 HydrophobicContact SD-CE2 4.14Å; M913-Y927 HydrophobicContact SD-CG 3.63Å; Y916-Y927 AromaticContact CD1-CD1 3.93Å; Y916-Y927 HydrophobicContact CD1-CD1 3.93Å; Y916-Y927 HydrophobicContact CD1-CE1 4.24Å; Y916-Y927 HydrophobicContact CE1-CD1 4.05Å; Y916-Y927 HydrophobicContact CE1-CE1 4.43Å; R917-Y927 HydrophobicContact CG-CE1 4.14Å; R917-Y927 VanDerWaalsContact NE-CZ 3.33Å; R917-Y927 PolarHBondContact NE-OH 3.41Å; R917-Y927 VanDerWaalsContact NH2-CE2 3.32Å; S924-Y927 PolarHBondContact O-N 3.42Å; Q925-Y927 PolarHBondContact O-N 2.93Å; Y927-L1005 PolarHBondContact O-N 3.25Å
928	R	84.2	Confident	76.1	Confident	111 Å²	111	71.9 Å²	71.9	42%	0.419	34%	0.338	S	S	.	.	H	α-helix	trans	-102.7	-19.2	175.1	-72.3	-172.7	166.4	-166	-8.2	114.9	S924 G1003	S924-R928 WeakPolarHBondContact O-CB 3.34Å; S924-R928 PolarHBondContact O-N 3.49Å; R928-G1003 CarbonylContact C-O 3.6Å
929	S	83.6	Confident	73.9	Confident	42 Å²	42	79 Å²	79	29%	0.294	36%	0.355	S	S	.	.	S	Bend	trans	-140.3	70.3	-176.5	-169.4	0	0	0	0	110.6	Q925 R1002 G1003	Q925-S929 CarbonylContact O-C 3.59Å; Q925-S929 PolarHBondContact O-N 3.36Å; S929-R1002 PolarHBondContact O-NE 3.07Å; S929-R1002 PolarHBondContact O-NH2 3.48Å; S929-R1002 PolarHBondContact OG-NE 3.3Å; S929-G1003 CarbonylContact C-O 3.25Å; S929-G1003 WeakPolarHBondContact CA-O 3.38Å
930	V	90.2	Very high	71.6	Confident	0 Å²	0	86.4 Å²	86.4	0%	0	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	136.8	179.3	-169.7	0	0	0	0	109.6	Q890 V926 I932 R1002 G1003 L1005 F1008	Q890-V930 HydrophobicContact CG-CG1 4.44Å; Q890-V930 HydrophobicContact CG-CG2 4.4Å; V926-V930 WeakPolarHBondContact O-CG2 3.33Å; V930-I932 PolarHBondContact O-N 3.24Å; V930-R1002 WeakPolarHBondContact O-CA 3.36Å; V930-G1003 PolarHBondContact N-O 3Å; V930-G1003 PolarHBondContact O-N 3.35Å; V930-L1005 HydrophobicContact CG2-CB 4.32Å; V930-L1005 HydrophobicContact CG2-CD1 4.4Å; V930-F1008 HydrophobicContact CB-CB 4.03Å; V930-F1008 HydrophobicContact CG1-CB 3.56Å; V930-F1008 HydrophobicContact CG1-CD1 4.03Å; V930-F1008 HydrophobicContact CG1-CD2 3.85Å; V930-F1008 HydrophobicContact CG1-CG 3.52Å
931	L	90.1	Very high	69.4	Low	7 Å²	7	89.4 Å²	89.4	4%	0.037	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	116.3	-179.2	-178.9	64.1	0	0	0	111.7	D885 R886 E1000 R1002	D885-L931 HydrophobicContact CB-CD2 3.5Å; R886-L931 HydrophobicContact CG-CB 4.28Å; R886-L931 PolarHBondContact NE-O 3.34Å; R886-L931 PolarHBondContact NH2-O 2.84Å; R886-L931 VanDerWaalsContact NH2-O 3.07Å; L931-E1000 HydrophobicContact CD1-CG 3.57Å; L931-R1002 HydrophobicContact CD1-CG 4.45Å
932	I	88.3	Confident	67.1	Low	22 Å²	22	92 Å²	92	11%	0.113	45%	0.451	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	-63.5	172.1	-50.2	-57.3	0	0	0	108.9	V930 E1001 Q1007 F1008 I1012	V930-I932 PolarHBondContact O-N 3.24Å; I932-E1001 WeakPolarHBondContact CA-O 3.23Å; I932-E1001 HydrophobicContact CB-CB 4.4Å; I932-E1001 HydrophobicContact CB-CG 4.31Å; I932-E1001 WeakPolarHBondContact CB-O 3.35Å; I932-E1001 PolarHBondContact N-O 3.05Å; I932-Q1007 HydrophobicContact CD1-CB 4.36Å; I932-F1008 HydrophobicContact CD1-CB 3.88Å; I932-I1012 HydrophobicContact CB-CD1 4.48Å; I932-I1012 HydrophobicContact CG2-CD1 4.1Å; I932-I1012 WeakPolarHBondContact O-CD1 3.49Å
933	K	83.3	Confident	64.5	Low	80 Å²	80	96.1 Å²	96.1	35%	0.348	48%	0.478	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	113	-175.6	-170.9	-171.9	165.8	-162	0	111	E998 E1001	K933-E998 VanDerWaalsContact CE-OE1 3.23Å; K933-E998 WeakPolarHBondContact CE-OE1 3.34Å; K933-E998 IonicContact NZ-OE1 2.71Å; K933-E998 PolarHBondContact NZ-OE1 3.24Å; K933-E1001 HydrophobicContact CB-CB 3.61Å; K933-E1001 HydrophobicContact CB-CG 4.49Å; K933-E1001 WeakPolarHBondContact CB-OE2 3.37Å; K933-E1001 WeakPolarHBondContact CD-OE2 3.29Å; K933-E1001 PolarHBondContact N-O 3.08Å; K933-E1001 VanDerWaalsContact N-O 3.08Å; K933-E1001 PolarHBondContact O-N 2.78Å
934	G	69.7	Low	62.2	Low	37 Å²	37	96.5 Å²	96.5	38%	0.381	50%	0.496	S	S	.	.			trans	-76.7	152.9	176.8	0	0	0	0	0	113.4	R936	G934-R936 PolarHBondContact O-N 3.45Å
935	K	62.9	Low	59.9	Low	131 Å²	131	102.1 Å²	102.1	57%	0.57	52%	0.523	S	S	*	.			trans	-60.5	114.3	-178.6	-67.8	173	173.5	123.6	0	111.7	K937 E1000	K935-K937 VanDerWaalsContact C-N 3.34Å; K935-K937 PolarHBondContact O-N 3.39Å; K935-E1000 HydrophobicContact CG-CB 4.4Å; K935-E1000 IonicContact NZ-OE2 3.68Å; K935-E1000 PolarHBondContact NZ-OE2 2.74Å
936	R	45.7	Very low	57.6	Low	196 Å²	196	102.7 Å²	102.7	74%	0.74	54%	0.536	S	S	*	.			trans	-74.5	81.9	176.6	-70.6	-179.2	160.4	-178.3	-5	111.8	G934 R938 E998	G934-R936 PolarHBondContact O-N 3.45Å; R936-R938 PolarHBondContact O-N 2.98Å; R936-E998 WeakPolarHBondContact CB-OE2 3.09Å; R936-E998 WeakPolarHBondContact CD-OE2 3.38Å; R936-E998 WeakPolarHBondContact CG-OE2 3.11Å
937	K	41.2	Very low	54.8	Low	200 Å²	200	114 Å²	114	87%	0.87	58%	0.578	S	S	*	*			trans	-64.2	91.8	172.3	-160.7	171.4	-169.2	173.4	0	110	K935 R939	K935-K937 VanDerWaalsContact C-N 3.34Å; K935-K937 PolarHBondContact O-N 3.39Å; K937-R939 PolarHBondContact O-N 3.3Å
938	R	31.8	Very low	52.1	Low	223 Å²	223	117 Å²	117	84%	0.842	60%	0.603	S	S	*	*			trans	-51.3	113.7	173.8	-83.5	-174	174.7	169.1	2	108.7	R936 N940	R936-R938 PolarHBondContact O-N 2.98Å; R938-N940 PolarHBondContact O-N 3.36Å
939	R	35.8	Very low	49.7	Very low	230 Å²	230	120 Å²	120	87%	0.868	62%	0.621	S	S	*	*			trans	-72.3	123.4	169.1	-71.8	-177.6	173.2	-177.8	-2.4	107.7	K937 S941	K937-R939 PolarHBondContact O-N 3.3Å; R939-S941 PolarHBondContact O-N 3.38Å
940	N	34.7	Very low	47.2	Very low	165 Å²	165	125.4 Å²	125.4	88%	0.882	64%	0.642	S	S	*	*			trans	-71.3	78.3	166	-84	12.5	0	0	0	109.2	R938 G942	R938-N940 PolarHBondContact O-N 3.36Å; N940-G942 PolarHBondContact O-N 3.19Å
941	S	32.9	Very low	44.2	Very low	113 Å²	113	133 Å²	133	79%	0.79	68%	0.682	S	S	*	*			trans	-77.3	72.1	173	55.5	0	0	0	0	110.3	R939 S943	R939-S941 PolarHBondContact O-N 3.38Å; S941-S943 PolarHBondContact O-N 3.48Å; S941-S943 VanDerWaalsContact O-N 3.16Å
942	G	35.5	Very low	41.4	Very low	81 Å²	81	138.3 Å²	138.3	84%	0.835	72%	0.721	S	S	*	*			trans	-78.9	84.8	172.5	0	0	0	0	0	111.6	N940	N940-G942 PolarHBondContact O-N 3.19Å
943	S	29.5	Very low	39.1	Very low	117 Å²	117	142.9 Å²	142.9	82%	0.818	75%	0.751	S	S	*	*			trans	-156.6	132.5	155.1	-161.4	0	0	0	0	110.3	S941	S941-S943 PolarHBondContact O-N 3.48Å; S941-S943 VanDerWaalsContact O-N 3.16Å
944	S	32.8	Very low	36.7	Very low	107 Å²	107	145 Å²	145	75%	0.748	77%	0.772	S	S	*	*			trans	-100.3	127	177.2	54.3	0	0	0	0	109.9
945	D	29.2	Very low	34.9	Very low	165 Å²	165	149.6 Å²	149.6	88%	0.882	78%	0.783	S	S	*	*			trans	-148	149.2	155.2	-126.2	-33.2	0	0	0	111.2
946	S	32.1	Very low	33.3	Very low	100 Å²	100	150 Å²	150	70%	0.699	79%	0.791	S	S	*	*			trans	-132.4	120.5	-167.1	-65.5	0	0	0	0	112.8
947	R	28.9	Very low	32.6	Very low	241 Å²	241	146.3 Å²	146.3	91%	0.909	79%	0.786	S	S	*	*			trans	-174.2	119.9	142.8	-101.6	145.6	-165	-155	2.7	114.5
948	S	32.5	Very low	32.3	Very low	88 Å²	88	144.8 Å²	144.8	62%	0.615	78%	0.779	S	S	*	*			trans	26.4	121.1	140.2	56.4	0	0	0	0	120.4
949	H	33	Very low	32.2	Very low	174 Å²	174	138.6 Å²	138.6	81%	0.806	76%	0.762	S	S	*	*				-161.3	176.1	87.8	-103.2	-72.8	0	0	0	112
950	Q	31	Very low	32.1	Very low	157 Å²	157	137 Å²	137	73%	0.734	76%	0.757	S	S	*	*			trans	-98.8	150.3	-164.5	-60.9	142.9	-56.9	0	0	112.9
951	N	28.3	Very low	31.9	Very low	158 Å²	158	134.7 Å²	134.7	85%	0.845	75%	0.749	S	S	*	*				172.1	108.6	116.6	-86.4	-17.8	0	0	0	112.7
952	S	30.3	Very low	31.8	Very low	120 Å²	120	133.5 Å²	133.5	84%	0.839	74%	0.74	S	S	*	*			trans	-150.4	127.5	161.2	-71.2	0	0	0	0	109.6
953	P	41.1	Very low	31.6	Very low	117 Å²	117	140.6 Å²	140.6	76%	0.76	74%	0.742	S	S	*	*			trans	-78	135.7	171.8	-15.2	31.2	0	0	0	113.4
954	T	31.7	Very low	31.5	Very low	126 Å²	126	141.2 Å²	141.2	77%	0.773	74%	0.736	S	S	*	*				30.4	141	126.2	58.6	0	0	0	0	120.1
955	E	31.2	Very low	31.4	Very low	133 Å²	133	141.4 Å²	141.4	62%	0.621	74%	0.737	S	S	*	*			cis	-162.8	-147.5	1.9	-124.2	-72.5	71.9	0	0	107.3	N957	E955-N957 PolarHBondContact OE2-ND2 3.2Å
956	L	30.6	Very low	31.3	Very low	140 Å²	140	139.2 Å²	139.2	73%	0.733	74%	0.735	S	S	*	*			cis	-150.3	83.8	9.5	-146.3	-177	0	0	0	114.1
957	N	31.1	Very low	32.2	Very low	118 Å²	118	140 Å²	140	63%	0.631	74%	0.737	S	S	*	*			trans	62.5	172.4	159.3	-90.1	-77.9	0	0	0	118.6	E955	E955-N957 PolarHBondContact OE2-ND2 3.2Å
958	K	33.8	Very low	32.2	Very low	168 Å²	168	134.1 Å²	134.1	73%	0.73	73%	0.728	S	S	*	*			cis	-157.9	154.5	19.5	-146.8	177.5	-179.3	174.8	0	113.5
959	D	29.8	Very low	32.3	Very low	92 Å²	92	138 Å²	138	49%	0.492	74%	0.739	S	S	.	*			trans	33.3	138.3	146.9	-69.6	-33.5	0	0	0	120.9
960	R	34.3	Very low	32	Very low	198 Å²	198	140.4 Å²	140.4	75%	0.747	74%	0.741	S	S	*	*			cis	-171.6	-179.1	9.8	-114	171.7	-128.9	172.4	11.2	107.8
961	T	30.6	Very low	31.9	Very low	116 Å²	116	138.3 Å²	138.3	71%	0.712	74%	0.743	S	S	*	*			cis	-152.4	154	11.4	-18.2	0	0	0	0	112.2
962	S	30.7	Very low	31.9	Very low	88 Å²	88	136.4 Å²	136.4	62%	0.615	74%	0.742	S	S	*	*			trans	26.9	125.4	146.2	65.7	0	0	0	0	124.3
963	R	32	Very low	31.9	Very low	229 Å²	229	136.4 Å²	136.4	86%	0.864	74%	0.742	S	S	*	*				61.9	143.2	121.8	-63.3	-169.7	177.3	155.6	-0.6	120.2
964	D	26	Very low	31.5	Very low	130 Å²	130	137.4 Å²	137.4	70%	0.695	75%	0.747	S	S	*	*			cis	-159.6	178.9	-5.1	-125.2	-46.5	0	0	0	111.4
965	S	30.5	Very low	31.6	Very low	111 Å²	111	139.1 Å²	139.1	78%	0.776	75%	0.75	S	S	*	*			trans	67.7	101.6	159.6	-60.8	0	0	0	0	119.5
966	S	27.4	Very low	31.7	Very low	119 Å²	119	138.7 Å²	138.7	83%	0.832	76%	0.759	S	S	*	*			trans	-107	-179.2	141.1	-47.6	0	0	0	0	108.3
967	P	51.3	Low	31.8	Very low	116 Å²	116	138.7 Å²	138.7	75%	0.753	76%	0.764	S	S	*	*			cis	-126.6	-173.9	-20.4	40.9	-27	0	0	0	111.5
968	V	28.8	Very low	32.6	Very low	118 Å²	118	138.6 Å²	138.6	72%	0.715	77%	0.77	S	S	*	*			trans	-156	127.2	130.7	155.6	0	0	0	0	108.6	R970	V968-R970 HydrophobicContact CG1-CG 4.5Å
969	M	34.1	Very low	32.3	Very low	170 Å²	170	139.7 Å²	139.7	84%	0.837	78%	0.778	S	S	*	*			trans	-92.7	134.8	162.1	-89.6	-82.3	-151.3	0	0	109.6
970	R	27.1	Very low	32.9	Very low	225 Å²	225	140.5 Å²	140.5	85%	0.849	79%	0.788	S	S	*	*			trans	-146.2	127	151.1	-79.5	-162.6	169.3	76.7	1.7	110.3	V968	V968-R970 HydrophobicContact CG1-CG 4.5Å
971	S	30.1	Very low	32.7	Very low	113 Å²	113	136.3 Å²	136.3	79%	0.79	79%	0.789	S	S	*	*			trans	-105.4	143.9	173.6	-49.6	0	0	0	0	109.9
972	S	27.1	Very low	32.6	Very low	117 Å²	117	136.7 Å²	136.7	82%	0.818	80%	0.796	S	S	*	*			trans	-154.8	123.5	167.3	55	0	0	0	0	110.4
973	S	31.5	Very low	32.8	Very low	120 Å²	120	137 Å²	137	84%	0.839	80%	0.804	S	S	*	*			trans	-87.3	138.2	-178.9	-48.6	0	0	0	0	112.4
974	T	31	Very low	32.7	Very low	139 Å²	139	131.7 Å²	131.7	85%	0.853	80%	0.8	S	S	*	*			trans	-151.3	140.4	146.9	-16.1	0	0	0	0	110.8
975	L	33.8	Very low	32.9	Very low	161 Å²	161	131.1 Å²	131.1	84%	0.843	80%	0.803	S	S	*	*			trans	-92	157.2	162.6	-69.8	171.3	0	0	0	109.5
976	P	33.7	Very low	33	Very low	124 Å²	124	132 Å²	132	81%	0.805	80%	0.804	S	S	*	*				-134.5	176.1	123.9	34.5	-22.4	0	0	0	114.7
977	V	32.1	Very low	33.1	Very low	141 Å²	141	132.1 Å²	132.1	86%	0.855	80%	0.802	S	S	*	*			trans	-88.3	156.4	-168.4	163.1	0	0	0	0	111.8
978	P	49.6	Very low	32.1	Very low	115 Å²	115	132.5 Å²	132.5	75%	0.747	80%	0.802	S	S	*	*			trans	-100.8	166	-157	38.8	-35.4	0	0	0	115.6
979	Q	27.6	Very low	32.4	Very low	191 Å²	191	137.8 Å²	137.8	89%	0.893	81%	0.809	S	S	*	*			trans	-144.7	164.2	160	-87	-142.9	-18.9	0	0	111.6
980	P	41.2	Very low	32.1	Very low	109 Å²	109	137.9 Å²	137.9	71%	0.708	81%	0.812	S	S	*	*			trans	-104.4	-171.9	-152.1	41	-37.7	0	0	0	115.5
981	S	30.5	Very low	32.3	Very low	110 Å²	110	133.4 Å²	133.4	77%	0.769	81%	0.81	S	S	*	*			trans	75.8	87.7	167.4	65.2	0	0	0	0	118.4
982	S	28.3	Very low	32.3	Very low	124 Å²	124	131.8 Å²	131.8	87%	0.867	81%	0.811	S	S	*	*			trans	-155.5	135.7	147.5	-73.3	0	0	0	0	108
983	A	35	Very low	32.4	Very low	95 Å²	95	131 Å²	131	79%	0.785	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-80	137.5	174.6	0	0	0	0	0	109.7
984	P	30.2	Very low	32.3	Very low	118 Å²	118	132.6 Å²	132.6	77%	0.766	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-74	137.5	175.5	30.4	-33.5	0	0	0	110.7
985	P	31.1	Very low	32.4	Very low	117 Å²	117	131.2 Å²	131.2	76%	0.76	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-74	158.9	170.6	32	-34.8	0	0	0	111.7
986	T	32.1	Very low	32.4	Very low	130 Å²	130	130.5 Å²	130.5	80%	0.798	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-56.9	128.5	-178.8	-43.7	0	0	0	0	112.8	T988	T986-T988 PolarHBondContact O-N 3.35Å
987	P	29.9	Very low	32.4	Very low	122 Å²	122	132.2 Å²	132.2	79%	0.792	80%	0.803	S	S	*	*			trans	-81.1	101.4	177.9	31.2	-33.3	0	0	0	111.8	R989	P987-R989 PolarHBondContact O-N 2.72Å
988	T	29.8	Very low	33.1	Very low	124 Å²	124	129 Å²	129	76%	0.761	78%	0.779	S	S	*	*			trans	-70	117.2	168.8	-58.2	0	0	0	0	110.7	T986 L990	T986-T988 PolarHBondContact O-N 3.35Å; T988-L990 PolarHBondContact O-N 2.93Å
989	R	35.3	Very low	33.4	Very low	229 Å²	229	131.9 Å²	131.9	86%	0.864	78%	0.782	S	S	*	*			trans	7.7	94.1	158.5	-164.1	-174.1	-159.8	-167.6	7.5	116.3	P987	P987-R989 PolarHBondContact O-N 2.72Å
990	L	27.3	Very low	35.7	Very low	172 Å²	172	126 Å²	126	90%	0.901	76%	0.755	S	S	*	*			trans	-123.2	128.8	162.2	-80.4	175.9	0	0	0	110.9	T988	T988-L990 PolarHBondContact O-N 2.93Å
991	T	30.6	Very low	37.8	Very low	131 Å²	131	125.5 Å²	125.5	80%	0.804	74%	0.743	S	S	*	*			trans	-103.6	139.7	-178.6	47.8	0	0	0	0	111.5
992	G	30.9	Very low	40.3	Very low	79 Å²	79	125.9 Å²	125.9	81%	0.814	73%	0.728	S	S	*	*			trans	96.5	98.3	157.1	0	0	0	0	0	116.3
993	A	28.5	Very low	43	Very low	99 Å²	99	120.3 Å²	120.3	82%	0.818	69%	0.69	S	S	*	*			trans	-152.3	62.6	164.4	0	0	0	0	0	111.5	S995	A993-S995 PolarHBondContact O-N 2.98Å
994	N	30.9	Very low	45.5	Very low	154 Å²	154	118.6 Å²	118.6	82%	0.824	67%	0.668	S	S	*	*			trans	29.3	82.1	159.7	-58	1.3	0	0	0	118.6	D996	N994-D996 PolarHBondContact O-N 3.28Å
995	S	31.7	Very low	48.4	Very low	111 Å²	111	113 Å²	113	78%	0.776	63%	0.632	S	S	*	*			trans	-82.4	87.5	147.7	55	0	0	0	0	108.9	A993 M997	A993-S995 PolarHBondContact O-N 2.98Å; S995-M997 PolarHBondContact O-N 2.77Å
996	D	34	Very low	51.4	Low	146 Å²	146	110.4 Å²	110.4	78%	0.781	61%	0.611	S	S	*	*			trans	-75.1	55.6	-176.3	-163.6	32.1	0	0	0	112.5	N994	N994-D996 PolarHBondContact O-N 3.28Å
997	M	34.3	Very low	54.2	Low	160 Å²	160	108.6 Å²	108.6	79%	0.788	59%	0.593	S	S	*	*			trans	-101.9	114.5	164.3	-66.1	-140.8	-64.3	0	0	107.6	S995 E999	S995-M997 PolarHBondContact O-N 2.77Å; M997-E999 PolarHBondContact O-N 3.07Å
998	E	45.7	Very low	57.3	Low	73 Å²	73	102.8 Å²	102.8	34%	0.341	56%	0.555	S	S	.	*			trans	-57.1	112.3	168.3	-68.2	-170.1	122.2	0	0	108.6	K933 R936	K933-E998 VanDerWaalsContact CE-OE1 3.23Å; K933-E998 WeakPolarHBondContact CE-OE1 3.34Å; K933-E998 IonicContact NZ-OE1 2.71Å; K933-E998 PolarHBondContact NZ-OE1 3.24Å; R936-E998 WeakPolarHBondContact CB-OE2 3.09Å; R936-E998 WeakPolarHBondContact CD-OE2 3.38Å; R936-E998 WeakPolarHBondContact CG-OE2 3.11Å
999	E	57.6	Low	60.5	Low	176 Å²	176	97.6 Å²	97.6	82%	0.822	52%	0.522	S	S	*	.			trans	-62.8	156.6	173.3	-66.9	-164.7	134.7	0	0	110.6	M997 E1001	M997-E999 PolarHBondContact O-N 3.07Å; E999-E1001 PolarHBondContact O-N 3.01Å
1000	E	75.6	Confident	63.3	Low	66 Å²	66	90.7 Å²	90.7	31%	0.308	50%	0.502	S	S	.	.			trans	-80.1	104.2	-174.8	-165	179.7	124.8	0	0	109.9	L931 K935 R1002	L931-E1000 HydrophobicContact CD1-CG 3.57Å; K935-E1000 HydrophobicContact CG-CB 4.4Å; K935-E1000 IonicContact NZ-OE2 3.68Å; K935-E1000 PolarHBondContact NZ-OE2 2.74Å; E1000-R1002 HydrophobicContact CG-CG 4.23Å; E1000-R1002 PolarHBondContact O-N 2.91Å; E1000-R1002 VanDerWaalsContact O-N 3.09Å; E1000-R1002 WeakPolarHBondContact OE1-CD 3.5Å; E1000-R1002 IonicContact OE1-CZ 3.53Å; E1000-R1002 IonicContact OE1-NE 3.73Å; E1000-R1002 IonicContact OE1-NH1 3.65Å; E1000-R1002 PolarHBondContact OE1-NH1 3.09Å
1001	E	83.8	Confident	66.4	Low	99 Å²	99	86.1 Å²	86.1	46%	0.463	48%	0.479	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	107.8	-177.5	-160.2	-170.9	145.5	0	0	109.2	I932 K933 E999	I932-E1001 WeakPolarHBondContact CA-O 3.23Å; I932-E1001 HydrophobicContact CB-CB 4.4Å; I932-E1001 HydrophobicContact CB-CG 4.31Å; I932-E1001 WeakPolarHBondContact CB-O 3.35Å; I932-E1001 PolarHBondContact N-O 3.05Å; K933-E1001 HydrophobicContact CB-CB 3.61Å; K933-E1001 HydrophobicContact CB-CG 4.49Å; K933-E1001 WeakPolarHBondContact CB-OE2 3.37Å; K933-E1001 WeakPolarHBondContact CD-OE2 3.29Å; K933-E1001 PolarHBondContact N-O 3.08Å; K933-E1001 VanDerWaalsContact N-O 3.08Å; K933-E1001 PolarHBondContact O-N 2.78Å; E999-E1001 PolarHBondContact O-N 3.01Å
1002	R	84.4	Confident	69.5	Low	118 Å²	118	81.3 Å²	81.3	45%	0.445	45%	0.447	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	138.9	176.9	-57.9	-178.4	76.2	106.5	1.4	109.1	S929 V930 L931 E1000	S929-R1002 PolarHBondContact O-NE 3.07Å; S929-R1002 PolarHBondContact O-NH2 3.48Å; S929-R1002 PolarHBondContact OG-NE 3.3Å; V930-R1002 WeakPolarHBondContact O-CA 3.36Å; L931-R1002 HydrophobicContact CD1-CG 4.45Å; E1000-R1002 HydrophobicContact CG-CG 4.23Å; E1000-R1002 PolarHBondContact O-N 2.91Å; E1000-R1002 VanDerWaalsContact O-N 3.09Å; E1000-R1002 WeakPolarHBondContact OE1-CD 3.5Å; E1000-R1002 IonicContact OE1-CZ 3.53Å; E1000-R1002 IonicContact OE1-NE 3.73Å; E1000-R1002 IonicContact OE1-NH1 3.65Å; E1000-R1002 PolarHBondContact OE1-NH1 3.09Å
1003	G	84.1	Confident	72.6	Confident	8 Å²	8	77.5 Å²	77.5	8%	0.082	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	-172.4	-176.8	0	0	0	0	0	111.6	R928 S929 V930	R928-G1003 CarbonylContact C-O 3.6Å; S929-G1003 CarbonylContact C-O 3.25Å; S929-G1003 WeakPolarHBondContact CA-O 3.38Å; V930-G1003 PolarHBondContact N-O 3Å; V930-G1003 PolarHBondContact O-N 3.35Å
1004	D	86.8	Confident	75.8	Confident	59 Å²	59	74.4 Å²	74.4	32%	0.316	38%	0.378	S	S	.	.			trans	-80.7	172.7	175.7	76.4	40.2	0	0	0	113.2	I1006 Q1007 F1008	D1004-I1006 VanDerWaalsContact C-N 3.27Å; D1004-I1006 PolarHBondContact O-N 3.11Å; D1004-I1006 VanDerWaalsContact OD1-CA 3.27Å; D1004-I1006 WeakPolarHBondContact OD1-CA 3.31Å; D1004-I1006 VanDerWaalsContact OD1-CB 3.27Å; D1004-I1006 WeakPolarHBondContact OD1-CB 3.45Å; D1004-I1006 PolarHBondContact OD1-N 3.29Å; D1004-Q1007 PolarHBondContact O-N 3.11Å; D1004-Q1007 PolarHBondContact OD1-N 3.33Å; D1004-F1008 PolarHBondContact O-N 2.65Å
1005	L	92.7	Very high	78.8	Confident	1 Å²	1	74.1 Å²	74.1	1%	0.005	37%	0.369	C	S	.	.	H	α-helix	trans	-62.1	-30.3	179.1	-174.7	66.1	0	0	0	113.9	Q890 M893 F909 Y927 V930 F1008 Y1009	Q890-L1005 HydrophobicContact CB-CD1 3.94Å; Q890-L1005 HydrophobicContact CG-CD1 4.09Å; M893-L1005 HydrophobicContact CB-CD2 3.85Å; M893-L1005 HydrophobicContact CE-CD2 3.81Å; M893-L1005 HydrophobicContact CG-CD2 4.48Å; M893-L1005 HydrophobicContact SD-CD2 3.85Å; F909-L1005 HydrophobicContact CD1-CD2 4.11Å; F909-L1005 HydrophobicContact CE1-CD2 4.09Å; F909-L1005 HydrophobicContact CE1-CG 4.23Å; Y927-L1005 PolarHBondContact O-N 3.25Å; V930-L1005 HydrophobicContact CG2-CB 4.32Å; V930-L1005 HydrophobicContact CG2-CD1 4.4Å; L1005-F1008 HydrophobicContact CD1-CD1 4.26Å; L1005-Y1009 VanDerWaalsContact O-CB 3.28Å; L1005-Y1009 WeakPolarHBondContact O-CB 3.47Å; L1005-Y1009 PolarHBondContact O-N 3.29Å
1006	I	93.4	Very high	81.8	Confident	62 Å²	62	72.7 Å²	72.7	32%	0.318	35%	0.35	S	S	.	.	H	α-helix	trans	-78	-39.8	-179.1	-55	175.6	0	0	0	109.4	F909 D1004 Y1009 N1010	F909-I1006 HydrophobicContact CB-CD1 4.01Å; F909-I1006 HydrophobicContact CB-CG1 4.06Å; F909-I1006 HydrophobicContact CD2-CD1 4.45Å; F909-I1006 HydrophobicContact CD2-CG1 3.89Å; F909-I1006 HydrophobicContact CE2-CG1 4.49Å; F909-I1006 HydrophobicContact CG-CD1 4.43Å; F909-I1006 HydrophobicContact CG-CG1 3.96Å; D1004-I1006 VanDerWaalsContact C-N 3.27Å; D1004-I1006 PolarHBondContact O-N 3.11Å; D1004-I1006 VanDerWaalsContact OD1-CA 3.27Å; D1004-I1006 WeakPolarHBondContact OD1-CA 3.31Å; D1004-I1006 VanDerWaalsContact OD1-CB 3.27Å; D1004-I1006 WeakPolarHBondContact OD1-CB 3.45Å; D1004-I1006 PolarHBondContact OD1-N 3.29Å; I1006-Y1009 PolarHBondContact O-N 3.18Å; I1006-N1010 WeakPolarHBondContact O-CB 3.44Å; I1006-N1010 PolarHBondContact O-N 3.33Å; I1006-N1010 PolarHBondContact O-ND2 2.91Å
1007	Q	90.4	Very high	84.7	Confident	91 Å²	91	65.7 Å²	65.7	43%	0.425	31%	0.313	S	S	.	.	H	α-helix	trans	-60.9	-47.5	169.5	-67.1	174.4	-14.5	0	0	110.9	I932 D1004 Y1009 N1010 N1011	I932-Q1007 HydrophobicContact CD1-CB 4.36Å; D1004-Q1007 PolarHBondContact O-N 3.11Å; D1004-Q1007 PolarHBondContact OD1-N 3.33Å; Q1007-Y1009 VanDerWaalsContact C-N 3.34Å; Q1007-Y1009 PolarHBondContact O-N 3.26Å; Q1007-N1010 PolarHBondContact O-N 3.12Å; Q1007-N1011 WeakPolarHBondContact O-CB 3.37Å; Q1007-N1011 PolarHBondContact O-N 3.4Å
1008	F	94.9	Very high	87.5	Confident	0 Å²	0	64 Å²	64	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-58.1	-44.6	172.4	167.7	-105.6	0	0	0	112.4	R886 L891 V930 I932 D1004 L1005 I1012 Y1013	R886-F1008 VanDerWaalsContact CD-CE2 3.44Å; R886-F1008 VanDerWaalsContact NE-CE2 3.28Å; L891-F1008 HydrophobicContact CD1-CZ 4.48Å; V930-F1008 HydrophobicContact CB-CB 4.03Å; V930-F1008 HydrophobicContact CG1-CB 3.56Å; V930-F1008 HydrophobicContact CG1-CD1 4.03Å; V930-F1008 HydrophobicContact CG1-CD2 3.85Å; V930-F1008 HydrophobicContact CG1-CG 3.52Å; I932-F1008 HydrophobicContact CD1-CB 3.88Å; D1004-F1008 PolarHBondContact O-N 2.65Å; L1005-F1008 HydrophobicContact CD1-CD1 4.26Å; F1008-I1012 HydrophobicContact CD2-CB 4.05Å; F1008-I1012 HydrophobicContact CD2-CD1 4.12Å; F1008-I1012 HydrophobicContact CD2-CG2 4.44Å; F1008-I1012 HydrophobicContact CE2-CB 4.02Å; F1008-I1012 HydrophobicContact CE2-CD1 4.46Å; F1008-I1012 HydrophobicContact CE2-CG2 3.94Å; F1008-I1012 WeakPolarHBondContact O-CB 3.27Å; F1008-I1012 PolarHBondContact O-N 3.07Å; F1008-Y1013 HydrophobicContact CE1-CD2 4.25Å; F1008-Y1013 HydrophobicContact CE1-CG 4.41Å; F1008-Y1013 HydrophobicContact CZ-CD2 4.35Å; F1008-Y1013 PolarHBondContact O-N 2.91Å; F1008-Y1013 VanDerWaalsContact O-N 3.09Å
1009	Y	96.9	Very high	89.7	Confident	16 Å²	16	66 Å²	66	6%	0.063	32%	0.318	C	S	.	.	I	π-helix	trans	-59	-52.4	178.7	170.8	-98.7	0	0	0	111.9	C894 Y897 V898 F909 L1005 I1006 Q1007 Y1013 I1014	C894-Y1009 HydrophobicContact CB-CD2 4.14Å; Y897-Y1009 HydrophobicContact CD1-CD1 4.4Å; Y897-Y1009 HydrophobicContact CD1-CD2 4.37Å; Y897-Y1009 AromaticContact CD1-CE1 3.86Å; Y897-Y1009 HydrophobicContact CD1-CE1 3.86Å; Y897-Y1009 AromaticContact CD1-CE2 3.81Å; Y897-Y1009 HydrophobicContact CD1-CE2 3.81Å; Y897-Y1009 AromaticContact CD1-CZ 3.53Å; Y897-Y1009 HydrophobicContact CE1-CD1 4.34Å; Y897-Y1009 AromaticContact CE1-CE1 3.62Å; Y897-Y1009 HydrophobicContact CE1-CE1 3.62Å; Y897-Y1009 HydrophobicContact CE1-CE2 4.38Å; Y897-Y1009 AromaticContact CE1-CZ 3.64Å; V898-Y1009 HydrophobicContact CB-CE2 4.16Å; V898-Y1009 HydrophobicContact CG2-CE2 4.46Å; F909-Y1009 AromaticContact CE2-CD1 3.76Å; F909-Y1009 HydrophobicContact CE2-CD1 3.76Å; F909-Y1009 HydrophobicContact CE2-CD2 4.32Å; F909-Y1009 HydrophobicContact CE2-CE1 4.32Å; F909-Y1009 AromaticContact CE2-CG 3.77Å; F909-Y1009 HydrophobicContact CE2-CG 3.77Å; F909-Y1009 HydrophobicContact CZ-CD1 4.09Å; F909-Y1009 AromaticContact CZ-CD2 3.85Å; F909-Y1009 HydrophobicContact CZ-CD2 3.85Å; F909-Y1009 AromaticContact CZ-CG 3.59Å; F909-Y1009 HydrophobicContact CZ-CG 3.59Å; L1005-Y1009 VanDerWaalsContact O-CB 3.28Å; L1005-Y1009 WeakPolarHBondContact O-CB 3.47Å; L1005-Y1009 PolarHBondContact O-N 3.29Å; I1006-Y1009 PolarHBondContact O-N 3.18Å; Q1007-Y1009 VanDerWaalsContact C-N 3.34Å; Q1007-Y1009 PolarHBondContact O-N 3.26Å; Y1009-Y1013 AromaticContact CD2-CD1 3.86Å; Y1009-Y1013 HydrophobicContact CD2-CD1 3.86Å; Y1009-Y1013 HydrophobicContact CE2-CD1 4.07Å; Y1009-Y1013 PolarHBondContact O-N 2.98Å; Y1009-I1014 HydrophobicContact CE1-CB 4.42Å; Y1009-I1014 HydrophobicContact CE2-CB 4.18Å; Y1009-I1014 HydrophobicContact CE2-CD1 4.22Å; Y1009-I1014 WeakPolarHBondContact O-CB 3.47Å; Y1009-I1014 VanDerWaalsContact O-CG2 3.24Å; Y1009-I1014 WeakPolarHBondContact O-CG2 3.39Å; Y1009-I1014 PolarHBondContact O-N 3Å; Y1009-I1014 WeakPolarHBondContact OH-CD1 3.47Å
1010	N	94.6	Very high	91.4	Very high	83 Å²	83	58.6 Å²	58.6	44%	0.444	28%	0.283	S	S	.	.	I	π-helix	trans	-69.4	-42.8	-177.8	-72.3	-28.6	0	0	0	112.6	I1006 Q1007 I1014	I1006-N1010 WeakPolarHBondContact O-CB 3.44Å; I1006-N1010 PolarHBondContact O-N 3.33Å; I1006-N1010 PolarHBondContact O-ND2 2.91Å; Q1007-N1010 PolarHBondContact O-N 3.12Å; N1010-I1014 WeakPolarHBondContact O-CG2 3.01Å
1011	N	93.5	Very high	92.2	Very high	77 Å²	77	55.5 Å²	55.5	41%	0.412	27%	0.269	S	S	.	.	I	π-helix	trans	-85.4	-22	-171.1	-67.2	-19.9	0	0	0	113.6	Q1007 K1015	Q1007-N1011 WeakPolarHBondContact O-CB 3.37Å; Q1007-N1011 PolarHBondContact O-N 3.4Å; N1011-K1015 VanDerWaalsContact O-CD 3.26Å; N1011-K1015 WeakPolarHBondContact O-CD 3.41Å; N1011-K1015 WeakPolarHBondContact O-CE 3.27Å; N1011-K1015 PolarHBondContact O-NZ 2.98Å
1012	I	95.3	Very high	92.6	Very high	29 Å²	29	54.8 Å²	54.8	15%	0.149	27%	0.267	C	S	.	.	I	π-helix	trans	-133.9	-64.7	-172.1	-57.4	179.1	0	0	0	111.9	L882 I932 F1008 I1014 K1015	L882-I1012 HydrophobicContact CD2-CG2 3.79Å; I932-I1012 HydrophobicContact CB-CD1 4.48Å; I932-I1012 HydrophobicContact CG2-CD1 4.1Å; I932-I1012 WeakPolarHBondContact O-CD1 3.49Å; F1008-I1012 HydrophobicContact CD2-CB 4.05Å; F1008-I1012 HydrophobicContact CD2-CD1 4.12Å; F1008-I1012 HydrophobicContact CD2-CG2 4.44Å; F1008-I1012 HydrophobicContact CE2-CB 4.02Å; F1008-I1012 HydrophobicContact CE2-CD1 4.46Å; F1008-I1012 HydrophobicContact CE2-CG2 3.94Å; F1008-I1012 WeakPolarHBondContact O-CB 3.27Å; F1008-I1012 PolarHBondContact O-N 3.07Å; I1012-I1014 PolarHBondContact O-N 3.2Å; I1012-K1015 PolarHBondContact O-N 3.27Å; I1012-K1015 VanDerWaalsContact O-N 3.17Å
1013	Y	96.3	Very high	92.8	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	26%	0.263	C	S	.	.	I	π-helix	trans	-59.8	-49.2	-167.9	-175	-95.4	0	0	0	112.4	S875 L882 L891 C894 V898 F1008 Y1009 K1015 Q1016 I1017	S875-Y1013 PolarHBondContact OG-OH 3.42Å; L882-Y1013 HydrophobicContact CD1-CD2 4.08Å; L882-Y1013 HydrophobicContact CD1-CE2 4.3Å; L891-Y1013 HydrophobicContact CG-CE2 4.19Å; C894-Y1013 HydrophobicContact CB-CD1 3.55Å; C894-Y1013 HydrophobicContact CB-CD2 4.05Å; C894-Y1013 HydrophobicContact CB-CE1 3.56Å; C894-Y1013 HydrophobicContact CB-CE2 4.09Å; C894-Y1013 HydrophobicContact CB-CG 3.8Å; V898-Y1013 HydrophobicContact CG1-CE1 4.21Å; F1008-Y1013 HydrophobicContact CE1-CD2 4.25Å; F1008-Y1013 HydrophobicContact CE1-CG 4.41Å; F1008-Y1013 HydrophobicContact CZ-CD2 4.35Å; F1008-Y1013 PolarHBondContact O-N 2.91Å; F1008-Y1013 VanDerWaalsContact O-N 3.09Å; Y1009-Y1013 AromaticContact CD2-CD1 3.86Å; Y1009-Y1013 HydrophobicContact CD2-CD1 3.86Å; Y1009-Y1013 HydrophobicContact CE2-CD1 4.07Å; Y1009-Y1013 PolarHBondContact O-N 2.98Å; Y1013-K1015 PolarHBondContact O-N 3.33Å; Y1013-Q1016 PolarHBondContact O-N 2.99Å; Y1013-I1017 HydrophobicContact CD1-CB 4.33Å; Y1013-I1017 HydrophobicContact CD1-CG1 4.18Å; Y1013-I1017 HydrophobicContact CD2-CG1 4.16Å; Y1013-I1017 HydrophobicContact CE1-CB 4Å; Y1013-I1017 HydrophobicContact CE1-CG1 3.88Å; Y1013-I1017 HydrophobicContact CE1-CG2 4.03Å; Y1013-I1017 HydrophobicContact CE2-CG1 3.82Å; Y1013-I1017 HydrophobicContact CG-CG1 4.32Å; Y1013-I1017 WeakPolarHBondContact O-CG1 3.4Å; Y1013-I1017 PolarHBondContact O-N 3.27Å
1014	I	95.5	Very high	93	Very high	33 Å²	33	53.8 Å²	53.8	17%	0.169	26%	0.263	C	S	.	.	H	α-helix	trans	-64.9	-28.7	-177.5	-163.5	52.9	0	0	0	112.5	V898 Y1009 N1010 I1012 Q1016 I1017 K1018	V898-I1014 HydrophobicContact CG2-CD1 3.66Å; Y1009-I1014 HydrophobicContact CE1-CB 4.42Å; Y1009-I1014 HydrophobicContact CE2-CB 4.18Å; Y1009-I1014 HydrophobicContact CE2-CD1 4.22Å; Y1009-I1014 WeakPolarHBondContact O-CB 3.47Å; Y1009-I1014 VanDerWaalsContact O-CG2 3.24Å; Y1009-I1014 WeakPolarHBondContact O-CG2 3.39Å; Y1009-I1014 PolarHBondContact O-N 3Å; Y1009-I1014 WeakPolarHBondContact OH-CD1 3.47Å; N1010-I1014 WeakPolarHBondContact O-CG2 3.01Å; I1012-I1014 PolarHBondContact O-N 3.2Å; I1014-Q1016 VanDerWaalsContact C-N 3.27Å; I1014-Q1016 PolarHBondContact O-N 3.33Å; I1014-I1017 PolarHBondContact O-N 3Å; I1014-K1018 HydrophobicContact CD1-CB 3.92Å; I1014-K1018 HydrophobicContact CG1-CB 4.2Å; I1014-K1018 WeakPolarHBondContact O-CB 3.43Å; I1014-K1018 PolarHBondContact O-N 3.22Å
1015	K	94.1	Very high	92.9	Very high	149 Å²	149	51.7 Å²	51.7	65%	0.648	25%	0.253	S	S	*	.	H	α-helix	trans	-66.2	-30.3	179.2	-63	-178.1	-174.8	161.2	0	112.4	N1011 I1012 Y1013	N1011-K1015 VanDerWaalsContact O-CD 3.26Å; N1011-K1015 WeakPolarHBondContact O-CD 3.41Å; N1011-K1015 WeakPolarHBondContact O-CE 3.27Å; N1011-K1015 PolarHBondContact O-NZ 2.98Å; I1012-K1015 PolarHBondContact O-N 3.27Å; I1012-K1015 VanDerWaalsContact O-N 3.17Å; Y1013-K1015 PolarHBondContact O-N 3.33Å
1016	Q	93.8	Very high	91.8	Very high	80 Å²	80	57 Å²	57	37%	0.374	28%	0.278	S	S	.	.	H	α-helix	trans	-89.7	-38.5	175.8	-56	-165.1	18.6	0	0	112	C879 Y1013 I1014	C879-Q1016 VanDerWaalsContact CB-OE1 3.24Å; C879-Q1016 PolarHBondContact SG-OE1 2.99Å; C879-Q1016 VanDerWaalsContact SG-OE1 3.37Å; Y1013-Q1016 PolarHBondContact O-N 2.99Å; I1014-Q1016 VanDerWaalsContact C-N 3.27Å; I1014-Q1016 PolarHBondContact O-N 3.33Å
1017	I	95.1	Very high	90.4	Very high	0 Å²	0	58.3 Å²	58.3	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-93.8	-20.2	-167.6	-56	-57.8	0	0	0	114.2	C871 F874 S875 L882 V898 Y1013 I1014 T1019 F1020 A1021	C871-I1017 VanDerWaalsContact SG-CG2 3.57Å; F874-I1017 HydrophobicContact CD1-CD1 3.97Å; F874-I1017 HydrophobicContact CE1-CD1 4.02Å; S875-I1017 WeakPolarHBondContact OG-CD1 3.46Å; L882-I1017 HydrophobicContact CD1-CD1 4.3Å; L882-I1017 HydrophobicContact CD1-CG1 4.45Å; V898-I1017 HydrophobicContact CG1-CG2 4.44Å; Y1013-I1017 HydrophobicContact CD1-CB 4.33Å; Y1013-I1017 HydrophobicContact CD1-CG1 4.18Å; Y1013-I1017 HydrophobicContact CD2-CG1 4.16Å; Y1013-I1017 HydrophobicContact CE1-CB 4Å; Y1013-I1017 HydrophobicContact CE1-CG1 3.88Å; Y1013-I1017 HydrophobicContact CE1-CG2 4.03Å; Y1013-I1017 HydrophobicContact CE2-CG1 3.82Å; Y1013-I1017 HydrophobicContact CG-CG1 4.32Å; Y1013-I1017 WeakPolarHBondContact O-CG1 3.4Å; Y1013-I1017 PolarHBondContact O-N 3.27Å; I1014-I1017 PolarHBondContact O-N 3Å; I1017-T1019 VanDerWaalsContact C-N 3.34Å; I1017-T1019 PolarHBondContact O-N 2.96Å; I1017-F1020 WeakPolarHBondContact O-CB 3.17Å; I1017-F1020 PolarHBondContact O-N 3.47Å; I1017-A1021 PolarHBondContact O-N 3.39Å
1018	K	92.9	Very high	89.2	Confident	125 Å²	125	57 Å²	57	54%	0.543	29%	0.294	S	S	.	.	H	α-helix	trans	-51.4	-46.9	-176.3	178.7	176.7	-179.5	-178.9	0	113.6	I1014 F1020 A1021 M1022	I1014-K1018 HydrophobicContact CD1-CB 3.92Å; I1014-K1018 HydrophobicContact CG1-CB 4.2Å; I1014-K1018 WeakPolarHBondContact O-CB 3.43Å; I1014-K1018 PolarHBondContact O-N 3.22Å; K1018-F1020 PolarHBondContact O-N 3.04Å; K1018-A1021 PolarHBondContact O-N 3.37Å; K1018-M1022 HydrophobicContact CG-CG 4.17Å; K1018-M1022 WeakPolarHBondContact O-CB 3.12Å; K1018-M1022 VanDerWaalsContact O-CG 3.27Å; K1018-M1022 WeakPolarHBondContact O-CG 3.08Å; K1018-M1022 PolarHBondContact O-N 3.24Å
1019	T	92.4	Very high	87.7	Confident	114 Å²	114	62.2 Å²	62.2	70%	0.699	33%	0.325	S	S	*	.	H	α-helix	trans	-64.4	-26.1	-177.7	-48.7	0	0	0	0	112.8	I1017	I1017-T1019 VanDerWaalsContact C-N 3.34Å; I1017-T1019 PolarHBondContact O-N 2.96Å
1020	F	93.3	Very high	85.9	Confident	20 Å²	20	71 Å²	71	9%	0.088	37%	0.369	C	S	.	.	H	α-helix	trans	-81.8	-51.5	172.9	-177.2	-98.7	0	0	0	111.6	T870 C871 F874 I1017 K1018 M1022 K1023 Y1024 P1033	T870-F1020 HydrophobicContact CG2-CZ 4.09Å; C871-F1020 HydrophobicContact CB-CE1 4.31Å; F874-F1020 HydrophobicContact CB-CD1 4.19Å; F874-F1020 HydrophobicContact CB-CE1 3.84Å; F874-F1020 HydrophobicContact CB-CE2 4.2Å; F874-F1020 HydrophobicContact CB-CZ 3.83Å; F874-F1020 HydrophobicContact CD1-CB 3.96Å; F874-F1020 AromaticContact CD1-CD1 3.9Å; F874-F1020 HydrophobicContact CD1-CD1 3.9Å; F874-F1020 HydrophobicContact CD1-CD2 4.05Å; F874-F1020 HydrophobicContact CD1-CE1 4.41Å; F874-F1020 AromaticContact CD1-CG 3.69Å; F874-F1020 HydrophobicContact CD1-CG 3.69Å; F874-F1020 HydrophobicContact CD2-CD1 4.34Å; F874-F1020 AromaticContact CD2-CD2 3.3Å; F874-F1020 HydrophobicContact CD2-CD2 3.3Å; F874-F1020 HydrophobicContact CD2-CE1 4.35Å; F874-F1020 AromaticContact CD2-CE2 3.3Å; F874-F1020 HydrophobicContact CD2-CE2 3.3Å; F874-F1020 AromaticContact CD2-CG 3.84Å; F874-F1020 HydrophobicContact CD2-CG 3.84Å; F874-F1020 AromaticContact CD2-CZ 3.85Å; F874-F1020 HydrophobicContact CD2-CZ 3.85Å; F874-F1020 HydrophobicContact CE1-CB 3.58Å; F874-F1020 HydrophobicContact CE1-CD1 4.4Å; F874-F1020 HydrophobicContact CE1-CD2 4.06Å; F874-F1020 AromaticContact CE1-CG 3.77Å; F874-F1020 HydrophobicContact CE1-CG 3.77Å; F874-F1020 HydrophobicContact CE2-CB 4.25Å; F874-F1020 AromaticContact CE2-CD2 3.28Å; F874-F1020 HydrophobicContact CE2-CD2 3.28Å; F874-F1020 AromaticContact CE2-CE2 3.73Å; F874-F1020 HydrophobicContact CE2-CE2 3.73Å; F874-F1020 AromaticContact CE2-CG 3.88Å; F874-F1020 HydrophobicContact CE2-CG 3.88Å; F874-F1020 HydrophobicContact CG-CB 4.47Å; F874-F1020 AromaticContact CG-CD1 3.88Å; F874-F1020 HydrophobicContact CG-CD1 3.88Å; F874-F1020 AromaticContact CG-CD2 3.7Å; F874-F1020 HydrophobicContact CG-CD2 3.7Å; F874-F1020 AromaticContact CG-CE1 3.95Å; F874-F1020 HydrophobicContact CG-CE1 3.95Å; F874-F1020 AromaticContact CG-CE2 3.76Å; F874-F1020 HydrophobicContact CG-CE2 3.76Å; F874-F1020 AromaticContact CG-CG 3.74Å; F874-F1020 HydrophobicContact CG-CG 3.74Å; F874-F1020 AromaticContact CG-CZ 3.88Å; F874-F1020 HydrophobicContact CG-CZ 3.88Å; F874-F1020 HydrophobicContact CZ-CB 3.74Å; F874-F1020 AromaticContact CZ-CD2 3.7Å; F874-F1020 HydrophobicContact CZ-CD2 3.7Å; F874-F1020 AromaticContact CZ-CG 3.86Å; F874-F1020 HydrophobicContact CZ-CG 3.86Å; I1017-F1020 WeakPolarHBondContact O-CB 3.17Å; I1017-F1020 PolarHBondContact O-N 3.47Å; K1018-F1020 PolarHBondContact O-N 3.04Å; F1020-M1022 VanDerWaalsContact C-N 3.3Å; F1020-M1022 PolarHBondContact O-N 3.35Å; F1020-K1023 WeakPolarHBondContact O-CB 3.08Å; F1020-K1023 WeakPolarHBondContact O-CG 3.37Å; F1020-K1023 PolarHBondContact O-N 2.9Å; F1020-K1023 VanDerWaalsContact O-N 3.11Å; F1020-Y1024 HydrophobicContact CD1-CE2 4.34Å; F1020-Y1024 AromaticContact CE1-CE2 3.68Å; F1020-Y1024 HydrophobicContact CE1-CE2 3.68Å; F1020-Y1024 AromaticContact CZ-CE2 3.85Å; F1020-Y1024 HydrophobicContact CZ-CE2 3.85Å; F1020-P1033 HydrophobicContact CD2-CG 4.38Å; F1020-P1033 HydrophobicContact CE2-CB 4.15Å; F1020-P1033 HydrophobicContact CE2-CG 3.74Å; F1020-P1033 HydrophobicContact CZ-CB 4.41Å; F1020-P1033 HydrophobicContact CZ-CG 4.2Å
1021	A	92.2	Very high	84.6	Confident	1 Å²	1	72.6 Å²	72.6	1%	0.008	38%	0.378	C	S	.	.	H	α-helix	trans	-59.2	-38.7	-176.5	0	0	0	0	0	112.7	V898 M899 V902 I1017 K1018 K1023 Y1024	V898-A1021 HydrophobicContact CG1-CB 4.39Å; V898-A1021 HydrophobicContact CG2-CB 3.79Å; M899-A1021 HydrophobicContact SD-CB 4Å; V902-A1021 HydrophobicContact CG1-CB 4.2Å; I1017-A1021 PolarHBondContact O-N 3.39Å; K1018-A1021 PolarHBondContact O-N 3.37Å; A1021-K1023 PolarHBondContact O-N 3.19Å; A1021-Y1024 PolarHBondContact O-N 3.38Å
1022	M	91.3	Very high	83.6	Confident	85 Å²	85	71 Å²	71	42%	0.419	38%	0.376	S	S	.	.	G	3₁₀ helix	trans	-60.4	-18.1	179	-73.1	-59.5	-57.5	0	0	114.5	V902 K1018 F1020 Y1024 S1025 N1028	V902-M1022 HydrophobicContact CG1-SD 4.22Å; K1018-M1022 HydrophobicContact CG-CG 4.17Å; K1018-M1022 WeakPolarHBondContact O-CB 3.12Å; K1018-M1022 VanDerWaalsContact O-CG 3.27Å; K1018-M1022 WeakPolarHBondContact O-CG 3.08Å; K1018-M1022 PolarHBondContact O-N 3.24Å; F1020-M1022 VanDerWaalsContact C-N 3.3Å; F1020-M1022 PolarHBondContact O-N 3.35Å; M1022-Y1024 VanDerWaalsContact C-N 3.26Å; M1022-Y1024 PolarHBondContact O-N 3.07Å; M1022-S1025 WeakPolarHBondContact O-CB 3.46Å; M1022-S1025 PolarHBondContact O-N 2.87Å; M1022-S1025 PolarHBondContact O-OG 2.75Å; M1022-N1028 PolarHBondContact O-ND2 3.17Å
1023	K	90.3	Very high	82.9	Confident	84 Å²	84	70.9 Å²	70.9	37%	0.365	38%	0.377	S	S	.	.	G	3₁₀ helix	trans	-70.2	-20.9	174.4	-58.3	-171.1	171.8	-156.1	0	113.7	F1020 A1021 P1033	F1020-K1023 WeakPolarHBondContact O-CB 3.08Å; F1020-K1023 WeakPolarHBondContact O-CG 3.37Å; F1020-K1023 PolarHBondContact O-N 2.9Å; F1020-K1023 VanDerWaalsContact O-N 3.11Å; A1021-K1023 PolarHBondContact O-N 3.19Å; K1023-P1033 HydrophobicContact CB-CG 4.31Å; K1023-P1033 HydrophobicContact CD-CG 3.74Å
1024	Y	86.9	Confident	82.3	Confident	20 Å²	20	76.5 Å²	76.5	8%	0.078	41%	0.413	C	S	.	.	G	3₁₀ helix	trans	-93.6	4.5	175.4	-64.7	-83.5	0	0	0	113.3	K867 T870 M899 F1020 A1021 M1022 A1032 P1033 L1035	K867-Y1024 HydrophobicContact CD-CD1 4.47Å; K867-Y1024 HydrophobicContact CG-CD1 4.13Å; K867-Y1024 HydrophobicContact CG-CE1 4.35Å; T870-Y1024 VanDerWaalsContact CG2-OH 3.24Å; T870-Y1024 WeakPolarHBondContact CG2-OH 3.1Å; M899-Y1024 HydrophobicContact CE-CD1 4.42Å; M899-Y1024 HydrophobicContact CE-CD2 3.56Å; M899-Y1024 HydrophobicContact CE-CE2 4.27Å; M899-Y1024 HydrophobicContact CE-CG 3.63Å; F1020-Y1024 HydrophobicContact CD1-CE2 4.34Å; F1020-Y1024 AromaticContact CE1-CE2 3.68Å; F1020-Y1024 HydrophobicContact CE1-CE2 3.68Å; F1020-Y1024 AromaticContact CZ-CE2 3.85Å; F1020-Y1024 HydrophobicContact CZ-CE2 3.85Å; A1021-Y1024 PolarHBondContact O-N 3.38Å; M1022-Y1024 VanDerWaalsContact C-N 3.26Å; M1022-Y1024 PolarHBondContact O-N 3.07Å; Y1024-A1032 HydrophobicContact CD1-CB 4.37Å; Y1024-A1032 HydrophobicContact CE1-CB 4.43Å; Y1024-P1033 HydrophobicContact CE2-CG 4.1Å; Y1024-P1033 PolarHBondContact OH-O 3.24Å; Y1024-L1035 HydrophobicContact CE1-CD2 3.88Å
1025	S	85.8	Confident	82	Confident	15 Å²	15	78.4 Å²	78.4	11%	0.105	42%	0.423	C	S	.	.	S	Bend	trans	-69.6	152	172.6	70.8	0	0	0	0	111.2	M1022 A1027 N1028	M1022-S1025 WeakPolarHBondContact O-CB 3.46Å; M1022-S1025 PolarHBondContact O-N 2.87Å; M1022-S1025 PolarHBondContact O-OG 2.75Å; S1025-A1027 PolarHBondContact O-N 3.08Å; S1025-N1028 PolarHBondContact O-N 2.85Å
1026	Q	69.6	Low	81.8	Confident	114 Å²	114	72.1 Å²	72.1	53%	0.533	40%	0.398	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-12.1	-174.9	-63.9	176.6	-7.8	0	0	114.5	T903 K904	T903-Q1026 PolarHBondContact O-NE2 2.77Å; K904-Q1026 VanDerWaalsContact CE-OE1 3.23Å
1027	A	63.8	Low	81.5	Confident	89 Å²	89	70 Å²	70	74%	0.736	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.6	-22.9	174.3	0	0	0	0	0	113.8	S1025	S1025-A1027 PolarHBondContact O-N 3.08Å
1028	N	65.7	Low	81.1	Confident	64 Å²	64	70.2 Å²	70.2	34%	0.342	39%	0.392	S	S	.	.			trans	-113.3	25.5	-166.1	-67.8	-23.8	0	0	0	113.4	M1022 S1025 M1030 D1031 A1032	M1022-N1028 PolarHBondContact O-ND2 3.17Å; S1025-N1028 PolarHBondContact O-N 2.85Å; N1028-M1030 PolarHBondContact O-N 3.31Å; N1028-D1031 PolarHBondContact O-N 3.21Å; N1028-A1032 PolarHBondContact O-N 3.19Å
1029	V	61.8	Low	80.7	Confident	109 Å²	109	64.3 Å²	64.3	66%	0.661	37%	0.367	S	S	*	.	G	3₁₀ helix	trans	-56.7	-29.5	-169.7	-175	0	0	0	0	113.8
1030	M	60.5	Low	79.6	Confident	199 Å²	199	63.1 Å²	63.1	98%	0.98	35%	0.352	S	S	*	.	G	3₁₀ helix	trans	-78.8	-14.9	177.1	-65.2	-178.7	67.6	0	0	114.4	N1028	N1028-M1030 PolarHBondContact O-N 3.31Å
1031	D	66.4	Low	78	Confident	117 Å²	117	63.8 Å²	63.8	63%	0.626	36%	0.358	S	S	*	.	G	3₁₀ helix	trans	-113.3	10.5	-173.9	-129.7	-2.6	0	0	0	112	N1028	N1028-D1031 PolarHBondContact O-N 3.21Å
1032	A	72.5	Confident	76	Confident	44 Å²	44	72 Å²	72	36%	0.364	39%	0.388	S	S	.	.	P	Polyproline II helix	trans	-67.5	126.5	179.4	0	0	0	0	0	111	Y1024 N1028	Y1024-A1032 HydrophobicContact CD1-CB 4.37Å; Y1024-A1032 HydrophobicContact CE1-CB 4.43Å; N1028-A1032 PolarHBondContact O-N 3.19Å
1033	P	80.5	Confident	73.7	Confident	26 Å²	26	74.4 Å²	74.4	17%	0.169	41%	0.408	C	S	.	.	P	Polyproline II helix	trans	-60.2	152.1	176.2	-20.8	30.1	0	0	0	112.3	F1020 K1023 Y1024 L1035	F1020-P1033 HydrophobicContact CD2-CG 4.38Å; F1020-P1033 HydrophobicContact CE2-CB 4.15Å; F1020-P1033 HydrophobicContact CE2-CG 3.74Å; F1020-P1033 HydrophobicContact CZ-CB 4.41Å; F1020-P1033 HydrophobicContact CZ-CG 4.2Å; K1023-P1033 HydrophobicContact CB-CG 4.31Å; K1023-P1033 HydrophobicContact CD-CG 3.74Å; Y1024-P1033 HydrophobicContact CE2-CG 4.1Å; Y1024-P1033 PolarHBondContact OH-O 3.24Å; P1033-L1035 PolarHBondContact O-N 2.94Å
1034	P	84.6	Confident	71.4	Confident	118 Å²	118	72.4 Å²	72.4	77%	0.766	41%	0.411	S	S	*	.	P	Polyproline II helix	trans	-59.4	139.8	174.2	26.3	-34.7	0	0	0	110.7
1035	L	89.4	Confident	68.9	Low	73 Å²	73	75.5 Å²	75.5	38%	0.382	44%	0.436	S	S	.	.	P	Polyproline II helix	trans	-73.1	129.8	-179.8	-64.6	175.4	0	0	0	110.9	K866 K867 Y1024 P1033	K866-L1035 HydrophobicContact CB-CD1 4.11Å; K867-L1035 HydrophobicContact CG-CD2 3.79Å; Y1024-L1035 HydrophobicContact CE1-CD2 3.88Å; P1033-L1035 PolarHBondContact O-N 2.94Å
1036	S	89.1	Confident	66.8	Low	18 Å²	18	77.5 Å²	77.5	13%	0.126	45%	0.449	C	S	.	.	P	Polyproline II helix	trans	-62.1	138.9	174.7	-56.5	0	0	0	0	111.1	T870 E873 Y1038	T870-S1036 WeakPolarHBondContact CG2-OG 3.26Å; T870-S1036 PolarHBondContact OG1-N 2.65Å; E873-S1036 WeakPolarHBondContact OE2-CB 3.12Å; E873-S1036 PolarHBondContact OE2-OG 2.72Å; S1036-Y1038 PolarHBondContact O-N 2.93Å
1037	P	87.9	Confident	65.8	Low	36 Å²	36	78.9 Å²	78.9	23%	0.234	45%	0.449	C	S	.	.	P	Polyproline II helix	trans	-65.6	130.2	179.2	28	-34.1	0	0	0	110.3	E620 L628 W869	E620-P1037 HydrophobicContact CB-CG 3.87Å; E620-P1037 HydrophobicContact CG-CG 4.21Å; L628-P1037 HydrophobicContact CB-CB 4.43Å; L628-P1037 HydrophobicContact CD1-CB 4.05Å; L628-P1037 HydrophobicContact CD1-CG 4.14Å; L628-P1037 HydrophobicContact CD2-CB 4.12Å; L628-P1037 HydrophobicContact CD2-CG 4.39Å; L628-P1037 HydrophobicContact CG-CB 4.42Å; W869-P1037 PolarHBondContact NE1-O 2.59Å; W869-P1037 VanDerWaalsContact NE1-O 3.08Å
1038	Y	86.2	Confident	65	Low	3 Å²	3	82.8 Å²	82.8	1%	0.012	45%	0.445	C	S	.	.	P	Polyproline II helix	trans	-85.3	131.1	-176.8	-166.7	-125.3	0	0	0	110.9	E629 A848 L851 R852 R865 W869 S1036 F1040	E629-Y1038 PolarHBondContact N-O 3.45Å; E629-Y1038 WeakPolarHBondContact OE2-CD1 3.35Å; A848-Y1038 HydrophobicContact CB-CE2 4Å; A848-Y1038 PolarHBondContact O-OH 3.25Å; L851-Y1038 HydrophobicContact CD2-CE2 4.23Å; R852-Y1038 WeakPolarHBondContact CB-OH 3.27Å; R852-Y1038 PolarHBondContact N-OH 3.46Å; R852-Y1038 VanDerWaalsContact NH2-CE1 3.29Å; R865-Y1038 HydrophobicContact CG-CE1 4.4Å; W869-Y1038 HydrophobicContact CB-CD2 3.82Å; W869-Y1038 HydrophobicContact CB-CE2 4.09Å; W869-Y1038 AromaticContact CD1-CD2 3.74Å; W869-Y1038 AromaticContact CD2-CD2 3.64Å; W869-Y1038 HydrophobicContact CD2-CD2 3.64Å; W869-Y1038 AromaticContact CD2-CE2 3.85Å; W869-Y1038 HydrophobicContact CD2-CE2 3.85Å; W869-Y1038 HydrophobicContact CE3-CD2 4.17Å; W869-Y1038 AromaticContact CE3-CE2 3.9Å; W869-Y1038 HydrophobicContact CE3-CE2 3.9Å; W869-Y1038 AromaticContact CG-CD2 3.45Å; W869-Y1038 HydrophobicContact CG-CD2 3.45Å; W869-Y1038 VanDerWaalsContact CG-CD2 3.45Å; W869-Y1038 AromaticContact CG-CE2 3.94Å; W869-Y1038 HydrophobicContact CG-CE2 3.94Å; S1036-Y1038 PolarHBondContact O-N 2.93Å; Y1038-F1040 PolarHBondContact O-N 3.19Å; Y1038-F1040 VanDerWaalsContact O-N 3.14Å
1039	P	85.1	Confident	64.3	Low	2 Å²	2	84.5 Å²	84.5	1%	0.013	45%	0.453	C	S	.	.	B	Isolated β-bridge	trans	-60.3	116.1	178.2	-28.7	37.1	0	0	0	113.1	M623 N627 A848 R852 W869 V1041	M623-P1039 HydrophobicContact CE-CB 4.39Å; M623-P1039 HydrophobicContact CE-CG 4.2Å; N627-P1039 CarbonylContact O-C 3.47Å; N627-P1039 WeakPolarHBondContact O-CA 3.41Å; A848-P1039 HydrophobicContact CB-CB 3.82Å; A848-P1039 HydrophobicContact CB-CG 3.75Å; R852-P1039 PolarHBondContact NH2-O 3.06Å; W869-P1039 HydrophobicContact CH2-CG 4.13Å; W869-P1039 VanDerWaalsContact CZ2-CD 3.44Å; W869-P1039 HydrophobicContact CZ2-CG 3.66Å; P1039-V1041 PolarHBondContact O-N 2.89Å; P1039-V1041 VanDerWaalsContact O-N 3.1Å
1040	F	69.4	Low	64.1	Low	89 Å²	89	83 Å²	83	39%	0.39	44%	0.439	S	S	.	.			trans	-72.7	101	176.1	-179.1	-123.3	0	0	0	110.7	N627 E629 Y1038 R1042	N627-F1040 PolarHBondContact O-N 3.21Å; E629-F1040 HydrophobicContact CG-CB 3.68Å; E629-F1040 HydrophobicContact CG-CD2 3.74Å; E629-F1040 HydrophobicContact CG-CG 4.14Å; Y1038-F1040 PolarHBondContact O-N 3.19Å; Y1038-F1040 VanDerWaalsContact O-N 3.14Å; F1040-R1042 HydrophobicContact CD1-CG 3.95Å; F1040-R1042 HydrophobicContact CE1-CG 3.48Å; F1040-R1042 VanDerWaalsContact CE1-CG 3.48Å; F1040-R1042 HydrophobicContact CZ-CG 4.28Å; F1040-R1042 PolarHBondContact O-N 2.79Å; F1040-R1042 VanDerWaalsContact O-N 3.16Å
1041	V	60	Low	63.7	Low	33 Å²	33	78.5 Å²	78.5	20%	0.2	42%	0.418	C	S	.	.			trans	-79.4	98.3	173.4	-176	0	0	0	0	108.6	V849 P1039 T1043	V849-V1041 HydrophobicContact CG2-CG1 4.25Å; V849-V1041 HydrophobicContact CG2-CG2 3.7Å; P1039-V1041 PolarHBondContact O-N 2.89Å; P1039-V1041 VanDerWaalsContact O-N 3.1Å; V1041-T1043 PolarHBondContact O-N 3.38Å
1042	R	49.6	Very low	63.2	Low	173 Å²	173	74.9 Å²	74.9	65%	0.653	40%	0.402	S	S	*	.			trans	-57.3	104.3	165.4	-80.5	-171.7	-179.5	-171.9	2.3	109.4	F1040 G1044	F1040-R1042 HydrophobicContact CD1-CG 3.95Å; F1040-R1042 HydrophobicContact CE1-CG 3.48Å; F1040-R1042 VanDerWaalsContact CE1-CG 3.48Å; F1040-R1042 HydrophobicContact CZ-CG 4.28Å; F1040-R1042 PolarHBondContact O-N 2.79Å; F1040-R1042 VanDerWaalsContact O-N 3.16Å; R1042-G1044 PolarHBondContact O-N 3.26Å
1043	T	42.9	Very low	62.2	Low	136 Å²	136	81.8 Å²	81.8	83%	0.834	43%	0.427	S	S	*	.			trans	-62.7	84.6	156.1	34	0	0	0	0	107.9	V1041 S1045	V1041-T1043 PolarHBondContact O-N 3.38Å; T1043-S1045 PolarHBondContact O-N 3.04Å
1044	G	40.9	Very low	61	Low	42 Å²	42	87.1 Å²	87.1	43%	0.433	45%	0.454	S	S	.	.	P	Polyproline II helix	trans	-54.4	121.9	-166.8	0	0	0	0	0	112.1	R1042	R1042-G1044 PolarHBondContact O-N 3.26Å
1045	S	34.8	Very low	60	Low	85 Å²	85	84.9 Å²	84.9	59%	0.594	43%	0.433	S	S	*	.	P	Polyproline II helix	trans	-47.3	124.9	171.3	178.5	0	0	0	0	108.4	T1043 R1047	T1043-S1045 PolarHBondContact O-N 3.04Å; S1045-R1047 PolarHBondContact O-N 2.98Å
1046	P	41.3	Very low	58.8	Low	58 Å²	58	86.4 Å²	86.4	38%	0.377	45%	0.447	S	S	.	.	P	Polyproline II helix	trans	-62.4	129.9	-161.6	24.7	-35.3	0	0	0	110.4	P1061	P1046-P1061 HydrophobicContact CB-CB 4.4Å; P1046-P1061 HydrophobicContact CB-CG 3.77Å; P1046-P1061 HydrophobicContact CG-CB 4.05Å; P1046-P1061 HydrophobicContact CG-CG 3.95Å
1047	R	49.3	Very low	57.9	Low	143 Å²	143	87.5 Å²	87.5	54%	0.54	45%	0.453	S	S	.	.	P	Polyproline II helix	trans	-48.5	135.4	-160.8	-69.2	-177.8	-76.7	-158.7	-3.3	112.7	S1045 I1049	S1045-R1047 PolarHBondContact O-N 2.98Å; R1047-I1049 HydrophobicContact CB-CG1 4.14Å; R1047-I1049 PolarHBondContact O-N 2.9Å; R1047-I1049 VanDerWaalsContact O-N 3.14Å
1048	R	47.6	Very low	57.1	Low	171 Å²	171	90.4 Å²	90.4	65%	0.645	46%	0.46	S	S	*	.			trans	-72.4	93.6	157.5	-90.7	-170.1	179.1	-175.3	2.3	108.5	Y1058 I1059	R1048-Y1058 HydrophobicContact CB-CD1 4.1Å; R1048-Y1058 HydrophobicContact CB-CG 4.31Å; R1048-I1059 CarbonylContact C-O 3.56Å; R1048-I1059 VanDerWaalsContact CA-O 3.27Å; R1048-I1059 WeakPolarHBondContact CA-O 3.38Å
1049	I	51.2	Low	56.2	Low	99 Å²	99	94.9 Å²	94.9	51%	0.508	48%	0.483	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	118.4	176.8	-59.1	176.3	0	0	0	107.9	R1047 Y1058 I1059	R1047-I1049 HydrophobicContact CB-CG1 4.14Å; R1047-I1049 PolarHBondContact O-N 2.9Å; R1047-I1049 VanDerWaalsContact O-N 3.14Å; I1049-Y1058 CarbonylContact O-C 3.59Å; I1049-Y1058 VanDerWaalsContact O-CA 3.27Å; I1049-Y1058 WeakPolarHBondContact O-CA 3.42Å; I1049-I1059 PolarHBondContact N-O 3.04Å; I1049-I1059 PolarHBondContact O-N 2.66Å
1050	Q	57.3	Low	54.7	Low	78 Å²	78	97.3 Å²	97.3	36%	0.364	50%	0.5	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	126.6	172.8	-167.9	167.4	-27.1	0	0	109.7	S1052 V1057 Y1058	Q1050-S1052 WeakPolarHBondContact CG-O 3.25Å; Q1050-S1052 PolarHBondContact NE2-O 2.89Å; Q1050-V1057 WeakPolarHBondContact CA-O 3.41Å; Q1050-Y1058 HydrophobicContact CB-CD1 3.77Å; Q1050-Y1058 HydrophobicContact CB-CE1 3.56Å; Q1050-Y1058 HydrophobicContact CG-CD1 4.23Å; Q1050-Y1058 HydrophobicContact CG-CE1 3.79Å; Q1050-Y1058 PolarHBondContact OE1-OH 3.36Å
1051	L	52.6	Low	54	Low	105 Å²	105	96.8 Å²	96.8	55%	0.55	51%	0.506	S	S	.	.			trans	-83.3	-21.7	-175.6	-67.9	-174.7	0	0	0	114.4	V1057 I1059	L1051-V1057 HydrophobicContact CD1-CG1 3.93Å; L1051-V1057 HydrophobicContact CG-CG1 4.46Å; L1051-V1057 PolarHBondContact N-O 2.98Å; L1051-I1059 HydrophobicContact CD1-CD1 3.91Å; L1051-I1059 HydrophobicContact CD1-CG1 3.87Å; L1051-I1059 HydrophobicContact CD2-CD1 3.78Å; L1051-I1059 HydrophobicContact CD2-CG1 3.94Å; L1051-I1059 HydrophobicContact CG-CD1 4.24Å; L1051-I1059 HydrophobicContact CG-CG1 4.02Å
1052	S	54.8	Low	53.7	Low	41 Å²	41	102.1 Å²	102.1	29%	0.287	53%	0.528	S	S	.	.			trans	-152.1	138	-173.3	-174.8	0	0	0	0	109.2	Q1050 N1054	Q1050-S1052 WeakPolarHBondContact CG-O 3.25Å; Q1050-S1052 PolarHBondContact NE2-O 2.89Å; S1052-N1054 PolarHBondContact O-N 2.81Å; S1052-N1054 PolarHBondContact OG-N 2.83Å
1053	Q	50.7	Low	53.8	Low	189 Å²	189	98.5 Å²	98.5	88%	0.883	52%	0.517	S	S	*	.	S	Bend	trans	-67.5	-27.4	169.4	-65.7	-178.5	-2.2	0	0	111.1
1054	N	55.7	Low	53.8	Low	138 Å²	138	99.1 Å²	99.1	74%	0.738	52%	0.515	S	S	*	.	S	Bend	trans	-83.2	-14.7	-175.3	-55.8	10	0	0	0	113.4	S1052	S1052-N1054 PolarHBondContact O-N 2.81Å; S1052-N1054 PolarHBondContact OG-N 2.83Å
1055	H	64.9	Low	53.8	Low	71 Å²	71	102 Å²	102	33%	0.329	52%	0.517	S	S	.	.	S	Bend	trans	-140.5	133.4	-178.4	-52.9	84.9	0	0	0	110.7	V1057	H1055-V1057 HydrophobicContact CB-CG2 3.93Å; H1055-V1057 PolarHBondContact O-N 3.08Å
1056	P	63.5	Low	54	Low	104 Å²	104	104.6 Å²	104.6	68%	0.675	53%	0.53	S	S	*	.			trans	-77.3	52.5	-179.3	33.8	-37.1	0	0	0	112.6	Y1058	P1056-Y1058 HydrophobicContact CB-CE2 4.08Å; P1056-Y1058 VanDerWaalsContact O-CD2 3.25Å; P1056-Y1058 WeakPolarHBondContact O-CD2 3.41Å; P1056-Y1058 VanDerWaalsContact O-CE2 3.24Å; P1056-Y1058 WeakPolarHBondContact O-CE2 3.29Å
1057	V	69.5	Low	54	Low	41 Å²	41	109.9 Å²	109.9	25%	0.248	55%	0.551	C	S	.	*			trans	-97.8	124.2	-179.6	-177.9	0	0	0	0	109.4	Q1050 L1051 H1055 I1093	Q1050-V1057 WeakPolarHBondContact CA-O 3.41Å; L1051-V1057 HydrophobicContact CD1-CG1 3.93Å; L1051-V1057 HydrophobicContact CG-CG1 4.46Å; L1051-V1057 PolarHBondContact N-O 2.98Å; H1055-V1057 HydrophobicContact CB-CG2 3.93Å; H1055-V1057 PolarHBondContact O-N 3.08Å; V1057-I1093 HydrophobicContact CG2-CD1 4.37Å; V1057-I1093 HydrophobicContact CG2-CG1 4.16Å; V1057-I1093 HydrophobicContact CG2-CG2 3.94Å
1058	Y	70.7	Confident	53.6	Low	97 Å²	97	108.1 Å²	108.1	38%	0.38	55%	0.552	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-124.2	128.5	-175.7	-57.8	-91.7	0	0	0	112.1	R1048 I1049 Q1050 P1056	R1048-Y1058 HydrophobicContact CB-CD1 4.1Å; R1048-Y1058 HydrophobicContact CB-CG 4.31Å; I1049-Y1058 CarbonylContact O-C 3.59Å; I1049-Y1058 VanDerWaalsContact O-CA 3.27Å; I1049-Y1058 WeakPolarHBondContact O-CA 3.42Å; Q1050-Y1058 HydrophobicContact CB-CD1 3.77Å; Q1050-Y1058 HydrophobicContact CB-CE1 3.56Å; Q1050-Y1058 HydrophobicContact CG-CD1 4.23Å; Q1050-Y1058 HydrophobicContact CG-CE1 3.79Å; Q1050-Y1058 PolarHBondContact OE1-OH 3.36Å; P1056-Y1058 HydrophobicContact CB-CE2 4.08Å; P1056-Y1058 VanDerWaalsContact O-CD2 3.25Å; P1056-Y1058 WeakPolarHBondContact O-CD2 3.41Å; P1056-Y1058 VanDerWaalsContact O-CE2 3.24Å; P1056-Y1058 WeakPolarHBondContact O-CE2 3.29Å
1059	I	68.4	Low	53.3	Low	97 Å²	97	104.8 Å²	104.8	50%	0.497	56%	0.555	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-92	134.7	167.7	-64.7	-171.9	0	0	0	109.9	R1048 I1049 L1051	R1048-I1059 CarbonylContact C-O 3.56Å; R1048-I1059 VanDerWaalsContact CA-O 3.27Å; R1048-I1059 WeakPolarHBondContact CA-O 3.38Å; I1049-I1059 PolarHBondContact N-O 3.04Å; I1049-I1059 PolarHBondContact O-N 2.66Å; L1051-I1059 HydrophobicContact CD1-CD1 3.91Å; L1051-I1059 HydrophobicContact CD1-CG1 3.87Å; L1051-I1059 HydrophobicContact CD2-CD1 3.78Å; L1051-I1059 HydrophobicContact CD2-CG1 3.94Å; L1051-I1059 HydrophobicContact CG-CD1 4.24Å; L1051-I1059 HydrophobicContact CG-CG1 4.02Å
1060	S	54.3	Low	52.7	Low	54 Å²	54	106.1 Å²	106.1	38%	0.378	57%	0.571	S	S	.	*			trans	-138.2	143.2	161.6	56	0	0	0	0	109.6
1061	P	53.3	Low	52.3	Low	78 Å²	78	112.8 Å²	112.8	51%	0.506	59%	0.592	S	S	.	*	P	Polyproline II helix	trans	-51.3	149	173.8	-29.9	37.4	0	0	0	113.8	P1046 K1063	P1046-P1061 HydrophobicContact CB-CB 4.4Å; P1046-P1061 HydrophobicContact CB-CG 3.77Å; P1046-P1061 HydrophobicContact CG-CB 4.05Å; P1046-P1061 HydrophobicContact CG-CG 3.95Å; P1061-K1063 PolarHBondContact O-N 2.77Å
1062	H	53.3	Low	52.5	Low	144 Å²	144	114.5 Å²	114.5	67%	0.667	60%	0.598	S	S	*	*	P	Polyproline II helix	trans	-67.8	123	-178.2	-166.8	-94.6	0	0	0	111.1	N1064	H1062-N1064 PolarHBondContact ND1-OD1 2.99Å
1063	K	53.1	Low	52.9	Low	98 Å²	98	117.9 Å²	117.9	43%	0.426	61%	0.607	S	S	.	*	P	Polyproline II helix	trans	-84.4	118.1	170.1	-77.6	177.9	155.3	-124.4	0	109.4	P1061 E1065	P1061-K1063 PolarHBondContact O-N 2.77Å; K1063-E1065 HydrophobicContact CB-CG 4.48Å; K1063-E1065 WeakPolarHBondContact CD-OE1 3.37Å; K1063-E1065 WeakPolarHBondContact CE-OE1 3.34Å; K1063-E1065 IonicContact NZ-OE1 2.74Å; K1063-E1065 PolarHBondContact NZ-OE1 2.81Å; K1063-E1065 IonicContact NZ-OE2 3.85Å; K1063-E1065 PolarHBondContact O-N 2.76Å
1064	N	43.2	Very low	53.8	Low	148 Å²	148	111.3 Å²	111.3	79%	0.791	58%	0.578	S	S	*	*			trans	-82.8	54.4	171.3	-68.2	2.4	0	0	0	110.7	H1062	H1062-N1064 PolarHBondContact ND1-OD1 2.99Å
1065	E	40.3	Very low	54.4	Low	103 Å²	103	110.6 Å²	110.6	48%	0.481	57%	0.568	S	S	.	*			trans	-93.9	127.5	172.8	-76.3	165.7	-146.7	0	0	109	K1063 M1067	K1063-E1065 HydrophobicContact CB-CG 4.48Å; K1063-E1065 WeakPolarHBondContact CD-OE1 3.37Å; K1063-E1065 WeakPolarHBondContact CE-OE1 3.34Å; K1063-E1065 IonicContact NZ-OE1 2.74Å; K1063-E1065 PolarHBondContact NZ-OE1 2.81Å; K1063-E1065 IonicContact NZ-OE2 3.85Å; K1063-E1065 PolarHBondContact O-N 2.76Å; E1065-M1067 VanDerWaalsContact C-N 3.25Å; E1065-M1067 PolarHBondContact O-N 2.88Å
1066	T	38.8	Very low	54.6	Low	140 Å²	140	110.4 Å²	110.4	86%	0.859	57%	0.565	S	S	*	*	S	Bend	trans	-74.8	-5.3	-168.4	6	0	0	0	0	115.2
1067	M	41.3	Very low	55.1	Low	168 Å²	168	112.8 Å²	112.8	83%	0.828	56%	0.561	S	S	*	*			trans	-125.5	109.5	-177.8	-71.7	-65.9	152.5	0	0	110.3	E1065	E1065-M1067 VanDerWaalsContact C-N 3.25Å; E1065-M1067 PolarHBondContact O-N 2.88Å
1068	L	40.4	Very low	54.6	Low	106 Å²	106	120 Å²	120	56%	0.555	59%	0.59	S	S	*	*			trans	-128.9	123.6	-174.6	-73	166.2	0	0	0	110.9
1069	S	41.3	Very low	54.2	Low	102 Å²	102	120.2 Å²	120.2	71%	0.713	61%	0.606	S	S	*	*			trans	-58	142.8	177.9	-179.5	0	0	0	0	112.4	R1071	S1069-R1071 PolarHBondContact O-N 3.41Å
1070	P	39.7	Very low	53.7	Low	127 Å²	127	122.3 Å²	122.3	83%	0.825	62%	0.618	S	S	*	*			trans	-69.6	95.5	-177.2	28.5	-35.9	0	0	0	112.3
1071	R	49.3	Very low	54.4	Low	218 Å²	218	120.9 Å²	120.9	82%	0.823	61%	0.608	S	S	*	*			trans	-123.4	135.2	154.3	-72.5	-172.3	173.8	-160.4	-3.4	108.3	S1069 K1073	S1069-R1071 PolarHBondContact O-N 3.41Å; R1071-K1073 PolarHBondContact O-N 3.11Å
1072	E	56.2	Low	55.4	Low	141 Å²	141	121.3 Å²	121.3	66%	0.659	61%	0.611	S	S	*	*			trans	-61.5	125.2	178.3	-61.2	-173.6	129.5	0	0	109.9
1073	K	62.9	Low	56.3	Low	111 Å²	111	118 Å²	118	48%	0.483	60%	0.603	S	S	.	*			trans	-112	133	179.4	-66	-178.8	-175.7	177.7	0	110	R1071 F1075	R1071-K1073 PolarHBondContact O-N 3.11Å; K1073-F1075 HydrophobicContact CB-CD2 4.44Å; K1073-F1075 HydrophobicContact CB-CE2 3.9Å; K1073-F1075 HydrophobicContact CB-CZ 4.17Å; K1073-F1075 HydrophobicContact CD-CZ 4.27Å
1074	I	68.9	Low	57.3	Low	52 Å²	52	119.6 Å²	119.6	27%	0.267	61%	0.611	S	S	.	*			trans	-83.5	123.5	165.6	-54.7	178.8	0	0	0	107.7	I1089 M1092 P1099	I1074-I1089 HydrophobicContact CG2-CD1 4.28Å; I1074-I1089 HydrophobicContact CG2-CG1 4.05Å; I1074-M1092 HydrophobicContact CD1-CE 4.37Å; I1074-M1092 HydrophobicContact CD1-SD 3.83Å; I1074-P1099 HydrophobicContact CD1-CG 4.24Å
1075	F	68.2	Low	58.8	Low	123 Å²	123	117.9 Å²	117.9	54%	0.539	59%	0.593	S	S	.	*			trans	-97.6	139.7	173.3	-67.2	-89.6	0	0	0	110.2	K1073 Y1077	K1073-F1075 HydrophobicContact CB-CD2 4.44Å; K1073-F1075 HydrophobicContact CB-CE2 3.9Å; K1073-F1075 HydrophobicContact CB-CZ 4.17Å; K1073-F1075 HydrophobicContact CD-CZ 4.27Å; F1075-Y1077 HydrophobicContact CB-CE2 4.32Å
1076	Y	70.3	Confident	60.5	Low	67 Å²	67	116.4 Å²	116.4	26%	0.263	59%	0.588	S	S	.	*			trans	-137.2	125.8	178.9	-173	-92.6	0	0	0	110	F1078 R1085 L1086 I1089	Y1076-F1078 HydrophobicContact CD1-CD1 4.38Å; Y1076-F1078 HydrophobicContact CD1-CE1 4.39Å; Y1076-F1078 AromaticContact CE1-CD1 3.88Å; Y1076-F1078 HydrophobicContact CE1-CD1 3.88Å; Y1076-F1078 HydrophobicContact CE1-CE1 4.16Å; Y1076-F1078 HydrophobicContact CE1-CG 4.23Å; Y1076-R1085 HydrophobicContact CD2-CB 4.11Å; Y1076-R1085 HydrophobicContact CE2-CB 4.4Å; Y1076-L1086 HydrophobicContact CD2-CD2 4.29Å; Y1076-L1086 HydrophobicContact CE1-CD2 4.3Å; Y1076-L1086 HydrophobicContact CE2-CD2 3.52Å; Y1076-L1086 HydrophobicContact CE2-CG 3.67Å; Y1076-I1089 HydrophobicContact CD2-CD1 4.03Å; Y1076-I1089 HydrophobicContact CG-CD1 4.24Å
1077	Y	73.8	Confident	62.3	Low	153 Å²	153	117.1 Å²	117.1	60%	0.6	58%	0.575	S	S	*	*			trans	-110.6	119.9	176.8	-60.5	-89.4	0	0	0	109.1	F1075 S1079 N1080 S1081	F1075-Y1077 HydrophobicContact CB-CE2 4.32Å; Y1077-S1079 PolarHBondContact O-N 3.09Å; Y1077-S1079 VanDerWaalsContact O-N 3.13Å; Y1077-N1080 PolarHBondContact O-N 3.31Å; Y1077-S1081 WeakPolarHBondContact CA-OG 3.42Å; Y1077-S1081 PolarHBondContact N-OG 3.33Å; Y1077-S1081 VanDerWaalsContact O-CB 3.29Å; Y1077-S1081 WeakPolarHBondContact O-CB 3.38Å; Y1077-S1081 PolarHBondContact O-N 2.93Å; Y1077-S1081 PolarHBondContact O-OG 3.11Å
1078	F	59.6	Low	64	Low	192 Å²	192	111.5 Å²	111.5	84%	0.842	55%	0.547	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.1	-23.8	-172.9	-70.3	-85.5	0	0	0	114.8	Y1076	Y1076-F1078 HydrophobicContact CD1-CD1 4.38Å; Y1076-F1078 HydrophobicContact CD1-CE1 4.39Å; Y1076-F1078 AromaticContact CE1-CD1 3.88Å; Y1076-F1078 HydrophobicContact CE1-CD1 3.88Å; Y1076-F1078 HydrophobicContact CE1-CE1 4.16Å; Y1076-F1078 HydrophobicContact CE1-CG 4.23Å
1079	S	62.3	Low	65.7	Low	103 Å²	103	108.1 Å²	108.1	72%	0.72	53%	0.529	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.1	-40.9	177.2	47.9	0	0	0	0	114.3	Y1077	Y1077-S1079 PolarHBondContact O-N 3.09Å; Y1077-S1079 VanDerWaalsContact O-N 3.13Å
1080	N	57.4	Low	67.6	Low	140 Å²	140	107 Å²	107	75%	0.749	52%	0.515	S	S	*	.	T	Hydrogen-bonded Turn	trans	-125.2	16.6	-159.6	-68.5	7	0	0	0	114.8	Y1077	Y1077-N1080 PolarHBondContact O-N 3.31Å
1081	S	69.5	Low	69.4	Low	25 Å²	25	103.9 Å²	103.9	18%	0.175	50%	0.496	C	S	.	.			trans	-98.5	125.7	-173.7	-61.1	0	0	0	0	113.9	Y1077	Y1077-S1081 WeakPolarHBondContact CA-OG 3.42Å; Y1077-S1081 PolarHBondContact N-OG 3.33Å; Y1077-S1081 VanDerWaalsContact O-CB 3.29Å; Y1077-S1081 WeakPolarHBondContact O-CB 3.38Å; Y1077-S1081 PolarHBondContact O-N 2.93Å; Y1077-S1081 PolarHBondContact O-OG 3.11Å
1082	P	73.4	Confident	70.8	Confident	87 Å²	87	96.1 Å²	96.1	57%	0.565	47%	0.47	S	S	*	.			trans	-62.6	149.1	177.1	-24.9	34.6	0	0	0	113.8	K1084 R1085	P1082-K1084 PolarHBondContact O-N 3.38Å; P1082-R1085 PolarHBondContact O-N 2.95Å
1083	S	72.4	Confident	71.8	Confident	73 Å²	73	92.2 Å²	92.2	51%	0.51	45%	0.453	S	S	.	.	H	α-helix	trans	-57.5	-15.4	177.8	72.1	0	0	0	0	114.7	R1087	S1083-R1087 PolarHBondContact O-N 3.37Å; S1083-R1087 PolarHBondContact O-NE 3.43Å; S1083-R1087 VanDerWaalsContact O-NE 3.09Å; S1083-R1087 PolarHBondContact OG-NH2 3.44Å
1084	K	74.6	Confident	72.4	Confident	133 Å²	133	96 Å²	96	58%	0.578	46%	0.464	S	S	*	.	H	α-helix	trans	-65.3	-39.7	170.7	-170.3	175.1	177	172.2	0	111.9	P1082 R1087 E1088	P1082-K1084 PolarHBondContact O-N 3.38Å; K1084-R1087 PolarHBondContact O-N 2.9Å; K1084-E1088 WeakPolarHBondContact O-CG 2.93Å; K1084-E1088 PolarHBondContact O-N 2.79Å
1085	R	74.2	Confident	72.6	Confident	111 Å²	111	97.4 Å²	97.4	42%	0.419	48%	0.475	S	S	.	.	H	α-helix	trans	-66.3	-38.1	176.4	-68.2	-53.3	-154.8	170.2	7.6	112.5	Y1076 P1082 R1087 E1088 I1089	Y1076-R1085 HydrophobicContact CD2-CB 4.11Å; Y1076-R1085 HydrophobicContact CE2-CB 4.4Å; P1082-R1085 PolarHBondContact O-N 2.95Å; R1085-R1087 VanDerWaalsContact C-N 3.32Å; R1085-R1087 PolarHBondContact O-N 3.22Å; R1085-E1088 WeakPolarHBondContact CD-OE2 3.48Å; R1085-E1088 IonicContact CZ-OE2 2.78Å; R1085-E1088 IonicContact NE-OE2 2.7Å; R1085-E1088 IonicContact NH1-OE2 3.59Å; R1085-E1088 PolarHBondContact NH1-OE2 3Å; R1085-E1088 PolarHBondContact O-N 2.67Å; R1085-I1089 VanDerWaalsContact O-CG1 3.3Å; R1085-I1089 WeakPolarHBondContact O-CG1 3.23Å; R1085-I1089 PolarHBondContact O-N 2.67Å
1086	L	75.3	Confident	72.5	Confident	72 Å²	72	94.7 Å²	94.7	38%	0.377	48%	0.482	S	S	.	.	H	α-helix	trans	-61.5	-40.5	171.7	-71.8	176.8	0	0	0	111.8	Y1076 I1089 N1090	Y1076-L1086 HydrophobicContact CD2-CD2 4.29Å; Y1076-L1086 HydrophobicContact CE1-CD2 4.3Å; Y1076-L1086 HydrophobicContact CE2-CD2 3.52Å; Y1076-L1086 HydrophobicContact CE2-CG 3.67Å; L1086-I1089 PolarHBondContact O-N 2.89Å; L1086-N1090 VanDerWaalsContact O-CB 3.26Å; L1086-N1090 WeakPolarHBondContact O-CB 3.44Å; L1086-N1090 PolarHBondContact O-N 2.76Å; L1086-N1090 PolarHBondContact O-ND2 2.8Å
1087	R	77.9	Confident	72.1	Confident	155 Å²	155	98.3 Å²	98.3	59%	0.585	50%	0.501	S	S	*	.	H	α-helix	trans	-66.5	-39.3	175.1	-78.8	173.5	-77.8	159.8	-10.8	112.9	S1083 K1084 R1085 N1090 S1091	S1083-R1087 PolarHBondContact O-N 3.37Å; S1083-R1087 PolarHBondContact O-NE 3.43Å; S1083-R1087 VanDerWaalsContact O-NE 3.09Å; S1083-R1087 PolarHBondContact OG-NH2 3.44Å; K1084-R1087 PolarHBondContact O-N 2.9Å; R1085-R1087 VanDerWaalsContact C-N 3.32Å; R1085-R1087 PolarHBondContact O-N 3.22Å; R1087-N1090 CarbonylContact O-C 3.6Å; R1087-N1090 PolarHBondContact O-N 3.27Å; R1087-S1091 WeakPolarHBondContact O-CB 3.4Å; R1087-S1091 PolarHBondContact O-N 3.34Å
1088	E	76.6	Confident	71.4	Confident	51 Å²	51	94.7 Å²	94.7	24%	0.238	50%	0.495	C	S	.	.	H	α-helix	trans	-61.3	-46	173.3	-71.1	164.5	-163	0	0	111.5	K1084 R1085 S1091 M1092	K1084-E1088 WeakPolarHBondContact O-CG 2.93Å; K1084-E1088 PolarHBondContact O-N 2.79Å; R1085-E1088 WeakPolarHBondContact CD-OE2 3.48Å; R1085-E1088 IonicContact CZ-OE2 2.78Å; R1085-E1088 IonicContact NE-OE2 2.7Å; R1085-E1088 IonicContact NH1-OE2 3.59Å; R1085-E1088 PolarHBondContact NH1-OE2 3Å; R1085-E1088 PolarHBondContact O-N 2.67Å; E1088-S1091 WeakPolarHBondContact O-CB 3.2Å; E1088-S1091 PolarHBondContact O-N 3.16Å; E1088-M1092 WeakPolarHBondContact O-CB 3.34Å; E1088-M1092 PolarHBondContact O-N 2.99Å
1089	I	76.6	Confident	71.3	Confident	35 Å²	35	89.3 Å²	89.3	18%	0.179	48%	0.479	C	S	.	.	H	α-helix	trans	-63	-46	175.6	-66.9	164.1	0	0	0	111	I1074 Y1076 R1085 L1086 S1091 M1092 I1093	I1074-I1089 HydrophobicContact CG2-CD1 4.28Å; I1074-I1089 HydrophobicContact CG2-CG1 4.05Å; Y1076-I1089 HydrophobicContact CD2-CD1 4.03Å; Y1076-I1089 HydrophobicContact CG-CD1 4.24Å; R1085-I1089 VanDerWaalsContact O-CG1 3.3Å; R1085-I1089 WeakPolarHBondContact O-CG1 3.23Å; R1085-I1089 PolarHBondContact O-N 2.67Å; L1086-I1089 PolarHBondContact O-N 2.89Å; I1089-S1091 PolarHBondContact O-N 3.22Å; I1089-M1092 PolarHBondContact O-N 3.3Å; I1089-I1093 HydrophobicContact CG2-CD1 3.72Å; I1089-I1093 HydrophobicContact CG2-CG1 4.42Å; I1089-I1093 WeakPolarHBondContact O-CB 3.46Å; I1089-I1093 WeakPolarHBondContact O-CG1 3.44Å; I1089-I1093 PolarHBondContact O-N 2.69Å
1090	N	79.8	Confident	70.7	Confident	78 Å²	78	88.9 Å²	88.9	42%	0.417	47%	0.472	S	S	.	.	H	α-helix	trans	-70.3	-13	178	-69.1	-11.4	0	0	0	113.5	L1086 R1087 R1094	L1086-N1090 VanDerWaalsContact O-CB 3.26Å; L1086-N1090 WeakPolarHBondContact O-CB 3.44Å; L1086-N1090 PolarHBondContact O-N 2.76Å; L1086-N1090 PolarHBondContact O-ND2 2.8Å; R1087-N1090 CarbonylContact O-C 3.6Å; R1087-N1090 PolarHBondContact O-N 3.27Å; N1090-R1094 PolarHBondContact O-NE 3.2Å; N1090-R1094 PolarHBondContact O-NH2 2.9Å
1091	S	78.6	Confident	70.4	Confident	61 Å²	61	91.8 Å²	91.8	43%	0.427	48%	0.478	S	S	.	.	H	α-helix	trans	-84.5	-53.7	169.2	-179	0	0	0	0	109.6	R1087 E1088 I1089 I1093 R1094 T1095	R1087-S1091 WeakPolarHBondContact O-CB 3.4Å; R1087-S1091 PolarHBondContact O-N 3.34Å; E1088-S1091 WeakPolarHBondContact O-CB 3.2Å; E1088-S1091 PolarHBondContact O-N 3.16Å; I1089-S1091 PolarHBondContact O-N 3.22Å; S1091-I1093 VanDerWaalsContact C-N 3.28Å; S1091-I1093 PolarHBondContact O-N 3.06Å; S1091-R1094 PolarHBondContact O-N 2.8Å; S1091-T1095 PolarHBondContact O-N 3.05Å; S1091-T1095 PolarHBondContact O-OG1 3.24Å
1092	M	79.2	Confident	69.2	Low	55 Å²	55	99.9 Å²	99.9	27%	0.271	51%	0.511	S	S	.	.	H	α-helix	trans	-53.9	-40	177.1	-177.5	-170.6	68.1	0	0	113.1	I1074 E1088 I1089 R1094 G1096 T1098	I1074-M1092 HydrophobicContact CD1-CE 4.37Å; I1074-M1092 HydrophobicContact CD1-SD 3.83Å; E1088-M1092 WeakPolarHBondContact O-CB 3.34Å; E1088-M1092 PolarHBondContact O-N 2.99Å; I1089-M1092 PolarHBondContact O-N 3.3Å; M1092-R1094 VanDerWaalsContact C-N 3.31Å; M1092-R1094 PolarHBondContact O-N 3.2Å; M1092-G1096 VanDerWaalsContact O-CA 3.28Å; M1092-G1096 WeakPolarHBondContact O-CA 3.27Å; M1092-G1096 PolarHBondContact O-N 2.89Å; M1092-T1098 HydrophobicContact SD-CG2 4.29Å
1093	I	76	Confident	67.3	Low	60 Å²	60	107.7 Å²	107.7	31%	0.308	53%	0.529	S	S	.	.	H	α-helix	trans	-68.3	-28.5	177.1	-70.6	172.1	0	0	0	112.5	V1057 I1089 S1091	V1057-I1093 HydrophobicContact CG2-CD1 4.37Å; V1057-I1093 HydrophobicContact CG2-CG1 4.16Å; V1057-I1093 HydrophobicContact CG2-CG2 3.94Å; I1089-I1093 HydrophobicContact CG2-CD1 3.72Å; I1089-I1093 HydrophobicContact CG2-CG1 4.42Å; I1089-I1093 WeakPolarHBondContact O-CB 3.46Å; I1089-I1093 WeakPolarHBondContact O-CG1 3.44Å; I1089-I1093 PolarHBondContact O-N 2.69Å; S1091-I1093 VanDerWaalsContact C-N 3.28Å; S1091-I1093 PolarHBondContact O-N 3.06Å
1094	R	75.4	Confident	65.2	Low	190 Å²	190	107.3 Å²	107.3	72%	0.717	54%	0.536	S	S	*	.	H	α-helix	trans	-93	-29.9	-177.9	-79.5	-174.2	-74.8	-169.4	-1.4	114.1	N1090 S1091 M1092	N1090-R1094 PolarHBondContact O-NE 3.2Å; N1090-R1094 PolarHBondContact O-NH2 2.9Å; S1091-R1094 PolarHBondContact O-N 2.8Å; M1092-R1094 VanDerWaalsContact C-N 3.31Å; M1092-R1094 PolarHBondContact O-N 3.2Å
1095	T	73.8	Confident	63.1	Low	82 Å²	82	109.2 Å²	109.2	50%	0.503	55%	0.551	S	S	.	*	H	α-helix	trans	-97.7	-21.2	177.4	63.6	0	0	0	0	113.3	S1091 E1097	S1091-T1095 PolarHBondContact O-N 3.05Å; S1091-T1095 PolarHBondContact O-OG1 3.24Å; T1095-E1097 PolarHBondContact O-N 2.74Å; T1095-E1097 PolarHBondContact OG1-N 3.03Å
1096	G	65.1	Low	60.8	Low	66 Å²	66	111.6 Å²	111.6	68%	0.68	57%	0.571	S	S	*	*			trans	75.6	-6	-168.9	0	0	0	0	0	113.9	M1092	M1092-G1096 VanDerWaalsContact O-CA 3.28Å; M1092-G1096 WeakPolarHBondContact O-CA 3.27Å; M1092-G1096 PolarHBondContact O-N 2.89Å
1097	E	62.8	Low	58.9	Low	143 Å²	143	116.1 Å²	116.1	67%	0.668	60%	0.595	S	S	*	*			trans	-87.2	122.8	-177.3	-60.1	-174.8	147.2	0	0	111.4	T1095	T1095-E1097 PolarHBondContact O-N 2.74Å; T1095-E1097 PolarHBondContact OG1-N 3.03Å
1098	T	59.7	Low	56.6	Low	77 Å²	77	118.2 Å²	118.2	47%	0.472	61%	0.611	S	S	.	*			trans	-69.4	130.7	163.6	48.5	0	0	0	0	109.5	M1092 T1100	M1092-T1098 HydrophobicContact SD-CG2 4.29Å; T1098-T1100 VanDerWaalsContact C-N 3.32Å; T1098-T1100 PolarHBondContact O-N 2.84Å
1099	P	57.4	Low	54.5	Low	78 Å²	78	123.8 Å²	123.8	51%	0.506	64%	0.642	S	S	.	*			trans	-71.5	82.9	-176.8	28.7	-35.5	0	0	0	111.9	I1074	I1074-P1099 HydrophobicContact CD1-CG 4.24Å
1100	T	49.2	Very low	52.3	Low	94 Å²	94	124.6 Å²	124.6	58%	0.577	66%	0.66	S	S	*	*			trans	-65.6	131.5	179	60.3	0	0	0	0	111.1	T1098 K1102	T1098-T1100 VanDerWaalsContact C-N 3.32Å; T1098-T1100 PolarHBondContact O-N 2.84Å; T1100-K1102 VanDerWaalsContact C-N 3.26Å; T1100-K1102 PolarHBondContact O-N 3.34Å
1101	K	51.3	Low	49.9	Very low	201 Å²	201	126.6 Å²	126.6	87%	0.874	68%	0.68	S	S	*	*			trans	-77.2	72	176.4	-82.4	-168.7	168.8	-169.3	0	112
1102	K	43.1	Very low	47.5	Very low	196 Å²	196	132.6 Å²	132.6	85%	0.852	70%	0.701	S	S	*	*			trans	-133	54.5	170.7	-79	-161.7	173.3	-174.3	0	114.3	T1100	T1100-K1102 VanDerWaalsContact C-N 3.26Å; T1100-K1102 PolarHBondContact O-N 3.34Å
1103	R	35.4	Very low	45.4	Very low	251 Å²	251	135.9 Å²	135.9	95%	0.947	73%	0.73	S	S	*	*			trans	-143.9	130.1	143.6	-98.2	174.3	-173.6	174.8	1.4	108.2
1104	G	27.9	Very low	43.6	Very low	64 Å²	64	138.8 Å²	138.8	66%	0.66	75%	0.752	S	S	*	*			trans	-115.1	-175.2	167.6	0	0	0	0	0	109.6
1105	I	29.1	Very low	41.4	Very low	173 Å²	173	134.2 Å²	134.2	89%	0.887	76%	0.755	S	S	*	*			trans	72.3	133.9	-171.1	-47.9	167.7	0	0	0	110.5
1106	L	26.4	Very low	39.5	Very low	162 Å²	162	140.2 Å²	140.2	85%	0.848	77%	0.774	S	S	*	*			cis	-120	168.5	3.7	-164.7	59.8	0	0	0	111.3
1107	L	34.8	Very low	38	Very low	166 Å²	166	148.4 Å²	148.4	87%	0.869	79%	0.785	S	S	*	*			trans	-82.2	137.7	162	-74.3	159.5	0	0	0	109.8
1108	E	30.1	Very low	36.4	Very low	200 Å²	200	149.5 Å²	149.5	94%	0.935	79%	0.793	S	S	*	*			trans	-133.8	145.7	153.1	-166	162.9	-152.7	0	0	107.3
1109	D	33.2	Very low	35	Very low	167 Å²	167	150.4 Å²	150.4	89%	0.893	80%	0.802	S	S	*	*			trans	-98.6	159.9	-162.9	-166	10.6	0	0	0	111.9
1110	G	30.3	Very low	34.1	Very low	53 Å²	53	152.5 Å²	152.5	55%	0.546	82%	0.815	S	S	.	*			trans	133.2	106	167.2	0	0	0	0	0	116.9
1111	S	30.2	Very low	33.2	Very low	120 Å²	120	154.5 Å²	154.5	84%	0.839	82%	0.818	S	S	*	*			trans	79.2	148	149.5	75.1	0	0	0	0	121.2
1112	E	28.3	Very low	32.5	Very low	187 Å²	187	150.8 Å²	150.8	87%	0.874	81%	0.808	S	S	*	*			trans	60.2	90.8	167.3	-54.6	-155.3	156.1	0	0	119.8
1113	S	34	Very low	32.3	Very low	124 Å²	124	149 Å²	149	87%	0.867	80%	0.802	S	S	*	*			trans	-84.4	153	142.5	-65	0	0	0	0	109.9
1114	P	38.7	Very low	32.8	Very low	120 Å²	120	140.5 Å²	140.5	78%	0.779	78%	0.781	S	S	*	*				-145.7	166.3	107.2	38.1	-24.8	0	0	0	116.8
1115	A	29.7	Very low	33.7	Very low	94 Å²	94	139.6 Å²	139.6	78%	0.777	77%	0.767	S	S	*	*			trans	63.3	100.5	150.9	0	0	0	0	0	120.6
1116	K	32.9	Very low	34.6	Very low	208 Å²	208	135.7 Å²	135.7	90%	0.904	75%	0.748	S	S	*	*			trans	13.6	120.3	137.8	-62.1	178	-179.8	177.5	0	117.8
1117	R	34.3	Very low	35.6	Very low	239 Å²	239	133.5 Å²	133.5	90%	0.902	74%	0.737	S	S	*	*	P	Polyproline II helix	trans	-60.7	134	167.8	-57.5	175.9	-171.1	160	4.5	111.2
1118	I	28.7	Very low	36.5	Very low	165 Å²	165	133.4 Å²	133.4	85%	0.846	72%	0.724	S	S	*	*	P	Polyproline II helix	trans	-88	123.4	155.4	-63.7	174.2	0	0	0	107.2
1119	C	30	Very low	37.7	Very low	96 Å²	96	131.4 Å²	131.4	65%	0.649	71%	0.708	S	S	*	*	P	Polyproline II helix	trans	-85	134.3	169.9	-77.5	0	0	0	0	109.7	E1121	C1119-E1121 PolarHBondContact O-N 3.43Å
1120	P	37.8	Very low	38.6	Very low	122 Å²	122	128.6 Å²	128.6	79%	0.792	69%	0.693	S	S	*	*	P	Polyproline II helix	trans	-62.9	125.5	158.1	-15.1	30	0	0	0	108.4
1121	E	30.7	Very low	39.8	Very low	137 Å²	137	132.3 Å²	132.3	64%	0.64	70%	0.696	S	S	*	*	P	Polyproline II helix	trans	-72.4	142.4	-177.5	-72.2	-175.4	104.6	0	0	112.2	C1119 H1123	C1119-E1121 PolarHBondContact O-N 3.43Å; E1121-H1123 PolarHBondContact O-N 3.43Å
1122	N	36.3	Very low	41.1	Very low	122 Å²	122	130.2 Å²	130.2	65%	0.652	68%	0.676	S	S	*	*	P	Polyproline II helix	trans	-75.1	122.5	169.8	-67.3	-63.4	0	0	0	108.9	S1124 A1125	N1122-S1124 PolarHBondContact O-N 3.05Å; N1122-A1125 WeakPolarHBondContact O-CB 3.32Å; N1122-A1125 PolarHBondContact O-N 3.39Å
1123	H	40.8	Very low	42.7	Very low	158 Å²	158	125.1 Å²	125.1	73%	0.731	66%	0.657	S	S	*	*	H	α-helix	trans	-53.5	-25.1	178.8	-77.5	-82	0	0	0	114.2	E1121 A1125 L1126 L1127	E1121-H1123 PolarHBondContact O-N 3.43Å; H1123-A1125 VanDerWaalsContact C-N 3.29Å; H1123-A1125 PolarHBondContact O-N 3.27Å; H1123-L1126 PolarHBondContact O-N 3.03Å; H1123-L1127 PolarHBondContact O-N 2.89Å; H1123-L1127 VanDerWaalsContact O-N 3.13Å
1124	S	45.9	Very low	43.7	Very low	74 Å²	74	122.1 Å²	122.1	52%	0.517	64%	0.64	S	S	.	*	H	α-helix	trans	-66.7	-23	174.6	53.3	0	0	0	0	114.6	N1122 R1128	N1122-S1124 PolarHBondContact O-N 3.05Å; S1124-R1128 WeakPolarHBondContact O-CB 3.16Å; S1124-R1128 PolarHBondContact O-N 2.82Å
1125	A	46.1	Very low	44.3	Very low	44 Å²	44	121.3 Å²	121.3	36%	0.364	63%	0.629	S	S	.	*	H	α-helix	trans	-81.1	-36.5	175.9	0	0	0	0	0	112.1	N1122 H1123 R1129	N1122-A1125 WeakPolarHBondContact O-CB 3.32Å; N1122-A1125 PolarHBondContact O-N 3.39Å; H1123-A1125 VanDerWaalsContact C-N 3.29Å; H1123-A1125 PolarHBondContact O-N 3.27Å; A1125-R1129 PolarHBondContact O-N 3.44Å
1126	L	48.3	Very low	45.5	Very low	91 Å²	91	122.8 Å²	122.8	48%	0.476	62%	0.623	S	S	.	*	H	α-helix	trans	-67.9	-45.6	175.6	-172.2	70.7	0	0	0	111.1	H1123 R1128 R1129 L1130	H1123-L1126 PolarHBondContact O-N 3.03Å; L1126-R1128 VanDerWaalsContact C-N 3.33Å; L1126-R1128 PolarHBondContact O-N 2.96Å; L1126-R1129 PolarHBondContact O-N 3.47Å; L1126-L1130 HydrophobicContact CG-CD1 4.14Å; L1126-L1130 WeakPolarHBondContact O-CB 3.39Å; L1126-L1130 WeakPolarHBondContact O-CG 3.34Å; L1126-L1130 PolarHBondContact O-N 3Å
1127	L	47.4	Very low	46.4	Very low	117 Å²	117	123.2 Å²	123.2	61%	0.613	62%	0.619	S	S	*	*	H	α-helix	trans	-59	-42.6	175.1	-90	160.4	0	0	0	112.3	H1123 L1130 Q1131	H1123-L1127 PolarHBondContact O-N 2.89Å; H1123-L1127 VanDerWaalsContact O-N 3.13Å; L1127-L1130 PolarHBondContact O-N 2.87Å; L1127-Q1131 WeakPolarHBondContact O-CB 3.48Å; L1127-Q1131 PolarHBondContact O-N 2.85Å
1128	R	54	Low	47	Very low	163 Å²	163	115.1 Å²	115.1	62%	0.615	61%	0.611	S	S	*	*	H	α-helix	trans	-63.6	-50.5	177.2	-162.6	175.4	-59.6	166.6	2.4	111.5	S1124 L1126 L1130 Q1131 D1132	S1124-R1128 WeakPolarHBondContact O-CB 3.16Å; S1124-R1128 PolarHBondContact O-N 2.82Å; L1126-R1128 VanDerWaalsContact C-N 3.33Å; L1126-R1128 PolarHBondContact O-N 2.96Å; R1128-L1130 VanDerWaalsContact C-N 3.29Å; R1128-L1130 PolarHBondContact O-N 2.86Å; R1128-Q1131 CarbonylContact O-C 3.57Å; R1128-Q1131 WeakPolarHBondContact O-CA 3.38Å; R1128-Q1131 PolarHBondContact O-N 3.42Å; R1128-D1132 PolarHBondContact O-N 3.45Å; R1128-D1132 VanDerWaalsContact O-OD2 3.1Å
1129	R	54.4	Low	47.8	Very low	158 Å²	158	111.1 Å²	111.1	60%	0.596	60%	0.597	S	S	*	*	H	α-helix	trans	-57.1	-38.3	175.5	-79.3	177.4	168.5	160.7	-4.9	113.6	A1125 L1126 Q1131 V1133	A1125-R1129 PolarHBondContact O-N 3.44Å; L1126-R1129 PolarHBondContact O-N 3.47Å; R1129-Q1131 VanDerWaalsContact C-N 3.32Å; R1129-V1133 WeakPolarHBondContact O-CB 3.26Å; R1129-V1133 VanDerWaalsContact O-CG2 3.23Å; R1129-V1133 WeakPolarHBondContact O-CG2 3.27Å; R1129-V1133 PolarHBondContact O-N 3.45Å
1130	L	52.9	Low	48.5	Very low	109 Å²	109	118.9 Å²	118.9	57%	0.571	62%	0.624	S	S	*	*	H	α-helix	trans	-67.2	-33.7	175.7	-76.8	166.9	0	0	0	112.2	L1126 L1127 R1128 A1134	L1126-L1130 HydrophobicContact CG-CD1 4.14Å; L1126-L1130 WeakPolarHBondContact O-CB 3.39Å; L1126-L1130 WeakPolarHBondContact O-CG 3.34Å; L1126-L1130 PolarHBondContact O-N 3Å; L1127-L1130 PolarHBondContact O-N 2.87Å; R1128-L1130 VanDerWaalsContact C-N 3.29Å; R1128-L1130 PolarHBondContact O-N 2.86Å; L1130-A1134 WeakPolarHBondContact O-CB 3.46Å; L1130-A1134 PolarHBondContact O-N 2.89Å; L1130-A1134 VanDerWaalsContact O-N 3.08Å
1131	Q	54.1	Low	49	Very low	130 Å²	130	118.8 Å²	118.8	61%	0.607	62%	0.615	S	S	*	*	H	α-helix	trans	-79.2	-35.9	177.4	-162.5	156.1	14.9	0	0	112.3	L1127 R1128 R1129 A1134 N1135	L1127-Q1131 WeakPolarHBondContact O-CB 3.48Å; L1127-Q1131 PolarHBondContact O-N 2.85Å; R1128-Q1131 CarbonylContact O-C 3.57Å; R1128-Q1131 WeakPolarHBondContact O-CA 3.38Å; R1128-Q1131 PolarHBondContact O-N 3.42Å; R1129-Q1131 VanDerWaalsContact C-N 3.32Å; Q1131-A1134 PolarHBondContact O-N 2.96Å; Q1131-N1135 VanDerWaalsContact O-CG 3.23Å; Q1131-N1135 PolarHBondContact O-N 2.87Å; Q1131-N1135 PolarHBondContact O-ND2 3.1Å
1132	D	58.8	Low	50	Low	77 Å²	77	117.8 Å²	117.8	41%	0.412	61%	0.614	S	S	.	*	H	α-helix	trans	-61.4	-47	170.8	-56.8	-33.4	0	0	0	110.3	R1128 A1134 N1135 D1136	R1128-D1132 PolarHBondContact O-N 3.45Å; R1128-D1132 VanDerWaalsContact O-OD2 3.1Å; D1132-A1134 VanDerWaalsContact C-N 3.28Å; D1132-A1134 PolarHBondContact O-N 2.93Å; D1132-N1135 PolarHBondContact O-N 3.16Å; D1132-N1135 VanDerWaalsContact O-N 3.13Å; D1132-D1136 PolarHBondContact O-N 2.88Å
1133	V	60.3	Low	50.7	Low	80 Å²	80	117.6 Å²	117.6	49%	0.485	61%	0.612	S	S	.	*	H	α-helix	trans	-67.7	-23.6	176.1	169.4	0	0	0	0	113.4	R1129 R1137	R1129-V1133 WeakPolarHBondContact O-CB 3.26Å; R1129-V1133 VanDerWaalsContact O-CG2 3.23Å; R1129-V1133 WeakPolarHBondContact O-CG2 3.27Å; R1129-V1133 PolarHBondContact O-N 3.45Å; V1133-R1137 WeakPolarHBondContact O-CG 3.28Å
1134	A	54.9	Low	51.3	Low	61 Å²	61	115.2 Å²	115.2	50%	0.504	61%	0.605	S	S	.	*	H	α-helix	trans	-74.4	-38.5	170.7	0	0	0	0	0	111.6	L1130 Q1131 D1132 R1137	L1130-A1134 WeakPolarHBondContact O-CB 3.46Å; L1130-A1134 PolarHBondContact O-N 2.89Å; L1130-A1134 VanDerWaalsContact O-N 3.08Å; Q1131-A1134 PolarHBondContact O-N 2.96Å; D1132-A1134 VanDerWaalsContact C-N 3.28Å; D1132-A1134 PolarHBondContact O-N 2.93Å; A1134-R1137 PolarHBondContact O-N 2.83Å
1135	N	52.6	Low	51.6	Low	103 Å²	103	117.8 Å²	117.8	55%	0.551	61%	0.61	S	S	*	*	H	α-helix	trans	-69.9	-44.3	177.6	-66.1	-25.2	0	0	0	112	Q1131 D1132 R1137 G1138	Q1131-N1135 VanDerWaalsContact O-CG 3.23Å; Q1131-N1135 PolarHBondContact O-N 2.87Å; Q1131-N1135 PolarHBondContact O-ND2 3.1Å; D1132-N1135 PolarHBondContact O-N 3.16Å; D1132-N1135 VanDerWaalsContact O-N 3.13Å; N1135-R1137 PolarHBondContact O-N 3.03Å; N1135-G1138 PolarHBondContact O-N 2.9Å
1136	D	53.8	Low	52	Low	124 Å²	124	122.7 Å²	122.7	66%	0.663	63%	0.627	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63	-11.8	176.8	-79	-7.8	0	0	0	113.6	D1132	D1132-D1136 PolarHBondContact O-N 2.88Å
1137	R	53.3	Low	52.3	Low	217 Å²	217	124.9 Å²	124.9	82%	0.819	64%	0.637	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.8	0.4	173.8	-74.2	-178	169.1	-158.1	-4.3	114	V1133 A1134 N1135	V1133-R1137 WeakPolarHBondContact O-CG 3.28Å; A1134-R1137 PolarHBondContact O-N 2.83Å; N1135-R1137 PolarHBondContact O-N 3.03Å
1138	G	46.9	Very low	52.7	Low	70 Å²	70	125.5 Å²	125.5	72%	0.722	64%	0.639	S	S	*	*	S	Bend	trans	-100	4.9	176.1	0	0	0	0	0	114.5	N1135	N1135-G1138 PolarHBondContact O-N 2.9Å
1139	S	45.7	Very low	52.5	Low	81 Å²	81	122.4 Å²	122.4	57%	0.566	64%	0.641	S	S	*	*			trans	-136.8	44.9	-169.7	52.4	0	0	0	0	114.1
1140	H	43.1	Very low	52.4	Low	259 Å²	259	119.2 Å²	119.2	100%	1.199	65%	0.645	S	S	*	*			trans	-144.9	0	163.5	-99	-54.1	0	0	0	111.5

Retrieved 1,140 of 1,140 residues in 395.7 ms (Link to these results)

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