X5LQ00_CAEEL Loading...

Domain of unknown function WSN domain-containing protein

AlphaFold DB , UniProt , Accession X5LQ00, Species CAEEL (Caenorhabditis elegans), Gene n/a, Length 911 aa.

						>X5LQ00_CAEEL|X5LQ00
MPTCLRAYIRETYSVKMWFHRTNIIWILISFSCMTSCHSTNQTVTAGAGSSSPVDKLADIVTKMQSLARLVNGISLEIGFIDGSIPSDDAIAELLYTDPSKLQEMMSVNSSVANRITNGFDTIYSDISSAPDNVKIMEKRLAVLEDISLILDTVSLEKVDSKDYGTKLRDVGEFVNKFTQIHEKYWTEMKKYLDDMHRIFTHLVTDSPTDSEIEQTVESFPDYVKTFENVQKAVPYFEQVVTVLRRAKEIDNMFLVFRPLIFESQLRSQLASTGKYDQESIDLLGKLFEDVLEFSQDSKSFLENLESIENLIWSKATTTNLPVQLMIGFTEGSKDIELLQESSGSILNSSRVSSSLETAFKSFGSFGKDISNFESSWKSTLKRANQSSLDEMKNMLKIMSSLSYFKSVSAHLEAITKCDASGSSSTESLTELPVIYANMKFLDQGLKMQSSFDYINQFKDLSLLITRFTIGPEKDKIQEARSVIAWFNVQNANRIQNARKFVSDFEKLQTSMTKLGDLLKIVGESFSKIEGYQKMITDPKHLSFYQCLTAAKDKEGGVRALLENFAVFRAIPSSTIANTKLVVDGITDSQHKLQALRSMALKMKSVDGREALALKTSFPDSQKIAFDLGLAVLGVSTIKKVIDNRSELAPLTKELKDIEEAAGNSTEDISTLQDLKSSVISMFKGIDDFLSSDFSSDGKIFEEAAKIPGIAGFNYKSLKAAVEAVDTTGKFSGIVNALEVITNLDLDFEKYDIKSASSSLKALDAFFNKYEATLFPPTTTIPPATPLSSPAPSNQSPPSQPQPGPRGSSPPAPSAPSAPETDTNSLALVDLTDSPADPTPEVSGFMWFILISYILFFVMGTAGTVFFVKRFLKTGQNVKPKTPKKKINGNSSAKDDVTSHHNSDPLRSARS
					

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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	47.3	Very low	32.5	Very low	238 Å²	238	154.5 Å²	154.5	100%	1.172	77%	0.774	S	S	*	*				0	71.3	0	-168.5	178.2	-166.6	0	0	110
2	P	34	Very low	32.6	Very low	121 Å²	121	148.4 Å²	148.4	79%	0.786	75%	0.751	S	S	*	*			trans	-154.5	140.5	138.8	35.7	-17.8	0	0	0	115.8
3	T	26.7	Very low	32.4	Very low	132 Å²	132	151 Å²	151	81%	0.81	75%	0.749	S	S	*	*	S	Bend	trans	-166.5	-41.3	147.6	12.5	0	0	0	0	114.7	L5	T3-L5 VanDerWaalsContact C-N 3.3Å; T3-L5 PolarHBondContact O-N 2.68Å; T3-L5 VanDerWaalsContact O-N 3.13Å
4	C	29.4	Very low	32.6	Very low	116 Å²	116	146.6 Å²	146.6	78%	0.784	74%	0.74	S	S	*	*	G	3₁₀ helix	trans	-66.4	-18.1	-167.1	-66.8	0	0	0	0	116.7	R6	C4-R6 PolarHBondContact O-N 2.64Å
5	L	27.9	Very low	32.8	Very low	143 Å²	143	143.3 Å²	143.3	75%	0.749	73%	0.729	S	S	*	*	G	3₁₀ helix	trans	-82.3	-5.6	-173.4	-152.2	68.2	0	0	0	114.8	T3	T3-L5 VanDerWaalsContact C-N 3.3Å; T3-L5 PolarHBondContact O-N 2.68Å; T3-L5 VanDerWaalsContact O-N 3.13Å
6	R	29.2	Very low	32.8	Very low	222 Å²	222	145.6 Å²	145.6	84%	0.838	73%	0.733	S	S	*	*	G	3₁₀ helix	trans	-94.2	-13.5	178.3	-75.8	-172.9	179.3	175.5	0.8	115.1	C4	C4-R6 PolarHBondContact O-N 2.64Å
7	A	34.3	Very low	32.6	Very low	72 Å²	72	145.4 Å²	145.4	60%	0.595	73%	0.731	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.8	-46.4	175.4	0	0	0	0	0	111.6	I9 R10	A7-I9 VanDerWaalsContact C-N 3.28Å; A7-I9 PolarHBondContact O-N 2.83Å; A7-R10 PolarHBondContact O-N 3.28Å; A7-R10 VanDerWaalsContact O-N 3.12Å
8	Y	29.7	Very low	32.7	Very low	182 Å²	182	148.2 Å²	148.2	71%	0.714	73%	0.731	S	S	*	*	H	α-helix	trans	-66.8	-22	-170.9	-156.6	-104.4	0	0	0	115.2	T12	Y8-T12 PolarHBondContact O-OG1 3.42Å; Y8-T12 VanDerWaalsContact O-OG1 3.12Å
9	I	32.7	Very low	32.6	Very low	106 Å²	106	147.8 Å²	147.8	54%	0.544	73%	0.726	S	S	.	*	H	α-helix	trans	-88.6	-12.7	-179.8	-63.6	174.8	0	0	0	111.8	A7	A7-I9 VanDerWaalsContact C-N 3.28Å; A7-I9 PolarHBondContact O-N 2.83Å
10	R	31.8	Very low	32.7	Very low	213 Å²	213	147.6 Å²	147.6	80%	0.804	72%	0.723	S	S	*	*	H	α-helix	trans	-88.6	-33.9	-176.3	-142.8	174.5	-161.5	171.3	4	113.7	A7	A7-R10 PolarHBondContact O-N 3.28Å; A7-R10 VanDerWaalsContact O-N 3.12Å
11	E	34.2	Very low	32.9	Very low	154 Å²	154	150.1 Å²	150.1	72%	0.72	72%	0.724	S	S	*	*	H	α-helix	trans	-78	-35.3	179.5	-66.4	-171.7	147.6	0	0	112.9	Y13 S14	E11-Y13 PolarHBondContact O-N 3.09Å; E11-S14 PolarHBondContact O-N 3.33Å; E11-S14 VanDerWaalsContact O-N 3.12Å
12	T	33.6	Very low	32.5	Very low	82 Å²	82	141.6 Å²	141.6	50%	0.503	69%	0.686	S	S	.	*	H	α-helix	trans	-65.7	-19.9	-178.8	36.4	0	0	0	0	114.2	Y8	Y8-T12 PolarHBondContact O-OG1 3.42Å; Y8-T12 VanDerWaalsContact O-OG1 3.12Å
13	Y	30.8	Very low	32.5	Very low	182 Å²	182	141 Å²	141	71%	0.714	68%	0.676	S	S	*	*	H	α-helix	trans	-87.2	-21.5	174.2	-96.8	-90.5	0	0	0	114.4	E11	E11-Y13 PolarHBondContact O-N 3.09Å
14	S	35.3	Very low	33	Very low	89 Å²	89	139.8 Å²	139.8	62%	0.622	66%	0.663	S	S	*	*	H	α-helix	trans	-80.4	-33.9	-177.3	-150.9	0	0	0	0	112.4	E11 M17	E11-S14 PolarHBondContact O-N 3.33Å; E11-S14 VanDerWaalsContact O-N 3.12Å; S14-M17 PolarHBondContact O-N 2.94Å
15	V	34.6	Very low	33.3	Very low	97 Å²	97	139.3 Å²	139.3	59%	0.588	65%	0.652	S	S	*	*	H	α-helix	trans	-69.8	-34.7	-178.2	-178.7	0	0	0	0	112.4	M17 W18	V15-M17 VanDerWaalsContact C-N 3.28Å; V15-M17 PolarHBondContact O-N 2.74Å; V15-W18 PolarHBondContact O-N 3.37Å
16	K	32.7	Very low	33.4	Very low	180 Å²	180	141.8 Å²	141.8	78%	0.783	65%	0.651	S	S	*	*	H	α-helix	trans	-69.8	-19.1	178.3	-88.6	-173.9	172.7	-178.6	0	114.4
17	M	30.6	Very low	33.7	Very low	143 Å²	143	137.5 Å²	137.5	70%	0.704	64%	0.644	S	S	*	*	H	α-helix	trans	-86.5	-17.8	179.8	-143.4	178.3	-69.5	0	0	113.1	S14 V15	S14-M17 PolarHBondContact O-N 2.94Å; V15-M17 VanDerWaalsContact C-N 3.28Å; V15-M17 PolarHBondContact O-N 2.74Å
18	W	33.1	Very low	33.5	Very low	195 Å²	195	140.7 Å²	140.7	74%	0.739	65%	0.65	S	S	*	*	H	α-helix	trans	-80.7	-40.9	179.8	-152.6	68.2	0	0	0	112.1	V15 H20 R21	V15-W18 PolarHBondContact O-N 3.37Å; W18-H20 VanDerWaalsContact C-N 3.25Å; W18-H20 PolarHBondContact O-N 2.73Å; W18-R21 PolarHBondContact O-N 3.46Å
19	F	31.5	Very low	33.7	Very low	142 Å²	142	138 Å²	138	62%	0.623	65%	0.647	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.9	-16.2	-178.4	-102.9	-86.2	0	0	0	115.7
20	H	34.9	Very low	33.5	Very low	143 Å²	143	137.3 Å²	137.3	66%	0.662	65%	0.651	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.1	-14.3	-178.6	-135.3	-19	0	0	0	114	W18	W18-H20 VanDerWaalsContact C-N 3.25Å; W18-H20 PolarHBondContact O-N 2.73Å
21	R	35.9	Very low	33.3	Very low	201 Å²	201	136.4 Å²	136.4	76%	0.758	65%	0.653	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.2	-28.7	179.1	-80.4	-172.8	164.7	-160.6	-4.7	114	W18	W18-R21 PolarHBondContact O-N 3.46Å
22	T	38.7	Very low	33	Very low	59 Å²	59	134.5 Å²	134.5	36%	0.362	66%	0.657	S	S	.	*	H	α-helix	trans	-71.6	-32.7	-179.9	40.6	0	0	0	0	113.6	I24	T22-I24 VanDerWaalsContact C-N 3.34Å; T22-I24 PolarHBondContact O-N 3.05Å
23	N	35.3	Very low	32.6	Very low	107 Å²	107	136.9 Å²	136.9	57%	0.572	68%	0.675	S	S	*	*	H	α-helix	trans	-76.4	-12.9	178.5	-82.6	-46.5	0	0	0	115.1
24	I	35.9	Very low	32.3	Very low	108 Å²	108	136.9 Å²	136.9	55%	0.554	68%	0.684	S	S	*	*	H	α-helix	trans	-90.2	-24.2	177.5	-68.1	175.9	0	0	0	111.5	T22	T22-I24 VanDerWaalsContact C-N 3.34Å; T22-I24 PolarHBondContact O-N 3.05Å
25	I	36.8	Very low	31.9	Very low	106 Å²	106	139.3 Å²	139.3	54%	0.544	70%	0.695	S	S	.	*	H	α-helix	trans	-78.3	-31.8	179.5	-66.5	172.2	0	0	0	111.6	I27 L28 I29	I25-I27 VanDerWaalsContact C-N 3.27Å; I25-I27 PolarHBondContact O-N 3.27Å; I25-L28 PolarHBondContact O-N 3.24Å; I25-I29 HydrophobicContact CG2-CD1 4.42Å
26	W	30.7	Very low	31.5	Very low	194 Å²	194	140.5 Å²	140.5	74%	0.735	71%	0.708	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.4	-10.6	176.8	-92.3	91	0	0	0	115.3	S30	W26-S30 PolarHBondContact O-OG 2.91Å
27	I	33.7	Very low	31	Very low	133 Å²	133	138 Å²	138	68%	0.682	71%	0.712	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.1	-14.2	177.9	-67.6	176.3	0	0	0	112	I25	I25-I27 VanDerWaalsContact C-N 3.27Å; I25-I27 PolarHBondContact O-N 3.27Å
28	L	31.4	Very low	30.8	Very low	139 Å²	139	140 Å²	140	73%	0.728	72%	0.719	S	S	*	*	S	Bend	trans	-100	-5.7	-179.5	-76.3	168.3	0	0	0	114.9	I25	I25-L28 PolarHBondContact O-N 3.24Å
29	I	32.9	Very low	30.5	Very low	126 Å²	126	135.3 Å²	135.3	65%	0.646	72%	0.716	S	S	*	*	S	Bend	trans	-93.7	-12.4	178	-65.8	175.3	0	0	0	111.9	I25 F31	I25-I29 HydrophobicContact CG2-CD1 4.42Å; I29-F31 PolarHBondContact O-N 3.4Å
30	S	28.5	Very low	30.1	Very low	90 Å²	90	135.3 Å²	135.3	63%	0.629	73%	0.728	S	S	*	*	S	Bend	trans	-89.6	15.8	-173.3	-50	0	0	0	0	115.3	W26	W26-S30 PolarHBondContact O-OG 2.91Å
31	F	28.2	Very low	29.9	Very low	194 Å²	194	136 Å²	136	85%	0.851	74%	0.736	S	S	*	*	S	Bend	trans	-137.8	36.5	-170.9	-128.8	-85.8	0	0	0	115.2	I29	I29-F31 PolarHBondContact O-N 3.4Å
32	S	28.3	Very low	29.4	Very low	115 Å²	115	135 Å²	135	80%	0.804	74%	0.741	S	S	*	*	S	Bend	trans	-139.3	20.2	176.1	-63.4	0	0	0	0	115.8
33	C	25.4	Very low	28.7	Very low	131 Å²	131	137.6 Å²	137.6	89%	0.885	76%	0.756	S	S	*	*			trans	-123.1	69.4	170	-91.3	0	0	0	0	112.2
34	M	24.8	Very low	28.5	Very low	183 Å²	183	139.4 Å²	139.4	90%	0.901	77%	0.771	S	S	*	*			trans	-161.2	89.3	157.5	-112.1	-173.5	-172.4	0	0	111.3
35	T	26	Very low	28	Very low	139 Å²	139	140.2 Å²	140.2	85%	0.853	78%	0.781	S	S	*	*			trans	172.9	110.6	138.3	25.7	0	0	0	0	110
36	S	25.3	Very low	27.9	Very low	122 Å²	122	140.3 Å²	140.3	85%	0.853	80%	0.798	S	S	*	*			trans	172.6	97	130.3	-80	0	0	0	0	112
37	C	24	Very low	27.6	Very low	127 Å²	127	134.5 Å²	134.5	86%	0.858	80%	0.798	S	S	*	*			trans	-109.1	100.7	149.4	-75.5	0	0	0	0	107.5
38	H	24.7	Very low	27.7	Very low	186 Å²	186	133.5 Å²	133.5	86%	0.861	81%	0.81	S	S	*	*			trans	-162.1	143	147	-118.2	58.4	0	0	0	112.4
39	S	27.3	Very low	27.6	Very low	96 Å²	96	130 Å²	130	67%	0.671	81%	0.806	S	S	*	*			trans	-85.4	151.2	167.2	57	0	0	0	0	110.5
40	T	24.2	Very low	27.9	Very low	143 Å²	143	129.7 Å²	129.7	88%	0.877	82%	0.816	S	S	*	*			trans	-162.8	141.2	138	12	0	0	0	0	111.3
41	N	30.2	Very low	28.9	Very low	157 Å²	157	127.9 Å²	127.9	84%	0.84	80%	0.803	S	S	*	*			trans	-64	140.4	164	-69.2	-39.4	0	0	0	110
42	Q	24.6	Very low	30.9	Very low	181 Å²	181	120.9 Å²	120.9	85%	0.846	78%	0.778	S	S	*	*			trans	-159.4	119.6	141.8	-114.5	168.7	34.8	0	0	114.3
43	T	24.1	Very low	32.8	Very low	113 Å²	113	119 Å²	119	69%	0.693	76%	0.763	S	S	*	*			trans	26.3	118.4	141.7	50.1	0	0	0	0	120.1	T45	T43-T45 PolarHBondContact O-N 2.94Å
44	V	32.1	Very low	35.1	Very low	144 Å²	144	115.4 Å²	115.4	87%	0.873	74%	0.737	S	S	*	*			trans	-49.6	120.3	156.9	177.8	0	0	0	0	110.9
45	T	24.9	Very low	37.5	Very low	125 Å²	125	110.8 Å²	110.8	77%	0.767	72%	0.716	S	S	*	*			trans	-114.1	127.1	159	40.2	0	0	0	0	108.8	T43 G47	T43-T45 PolarHBondContact O-N 2.94Å; T45-G47 PolarHBondContact O-N 3.29Å
46	A	35.1	Very low	39.8	Very low	109 Å²	109	109.1 Å²	109.1	90%	0.901	70%	0.697	S	S	*	*			trans	-74.3	87.7	-176.8	0	0	0	0	0	111
47	G	24.1	Very low	42.4	Very low	71 Å²	71	103.5 Å²	103.5	73%	0.732	66%	0.657	S	S	*	*			trans	-88.1	113.4	167.7	0	0	0	0	0	110.7	T45 G49	T45-G47 PolarHBondContact O-N 3.29Å; G47-G49 PolarHBondContact O-N 3.44Å
48	A	35	Very low	45.1	Very low	113 Å²	113	98.7 Å²	98.7	93%	0.934	63%	0.627	S	S	*	*			trans	-74.5	67.9	172.9	0	0	0	0	0	111.3
49	G	30.4	Very low	47.7	Very low	64 Å²	64	94.7 Å²	94.7	66%	0.66	61%	0.612	S	S	*	*			trans	-81.1	128.4	167.1	0	0	0	0	0	110	G47 S51	G47-G49 PolarHBondContact O-N 3.44Å; G49-S51 PolarHBondContact O-N 3.16Å
50	S	39.1	Very low	50.3	Low	120 Å²	120	91.7 Å²	91.7	84%	0.839	59%	0.588	S	S	*	*			trans	-72.5	91.8	172.2	57.1	0	0	0	0	109.7
51	S	49.3	Very low	53.1	Low	52 Å²	52	85 Å²	85	36%	0.364	55%	0.547	S	S	.	.			trans	-54.4	142	167.2	45.4	0	0	0	0	110	G49 K56	G49-S51 PolarHBondContact O-N 3.16Å; S51-K56 WeakPolarHBondContact O-CE 3.47Å; S51-K56 WeakPolarHBondContact OG-CE 3.34Å; S51-K56 VanDerWaalsContact OG-CG 3.3Å; S51-K56 WeakPolarHBondContact OG-CG 3.38Å
52	S	69.9	Low	55.7	Low	47 Å²	47	81.3 Å²	81.3	33%	0.329	53%	0.53	S	S	.	.			trans	-65.4	155.9	179.9	79	0	0	0	0	109.8	V54 D55 K56	S52-V54 PolarHBondContact O-N 3.05Å; S52-V54 VanDerWaalsContact O-N 3.11Å; S52-V54 PolarHBondContact OG-N 3.46Å; S52-D55 WeakPolarHBondContact CB-OD2 3.49Å; S52-D55 PolarHBondContact N-OD2 3.3Å; S52-D55 PolarHBondContact O-N 2.76Å; S52-D55 VanDerWaalsContact O-N 3.1Å; S52-D55 PolarHBondContact OG-N 3.1Å; S52-D55 PolarHBondContact OG-OD2 3.21Å; S52-K56 PolarHBondContact O-N 3.01Å; S52-K56 VanDerWaalsContact O-N 3.08Å
53	P	68.5	Low	58.5	Low	75 Å²	75	79.8 Å²	79.8	49%	0.487	52%	0.521	S	S	.	.	H	α-helix	trans	-54.8	-29.4	175.2	-26.9	35.8	0	0	0	113.3	L57 L690	P53-L57 WeakPolarHBondContact O-CB 3.36Å; P53-L57 PolarHBondContact O-N 3.43Å; P53-L690 HydrophobicContact CB-CB 4.41Å; P53-L690 HydrophobicContact CB-CD2 4.36Å
54	V	73.7	Confident	61.5	Low	57 Å²	57	74.9 Å²	74.9	35%	0.345	49%	0.49	S	S	.	.	H	α-helix	trans	-71.3	-43.2	177.2	-178.4	0	0	0	0	111.6	S52 K56 L57 A58 I642 L690	S52-V54 PolarHBondContact O-N 3.05Å; S52-V54 VanDerWaalsContact O-N 3.11Å; S52-V54 PolarHBondContact OG-N 3.46Å; V54-K56 VanDerWaalsContact C-N 3.34Å; V54-K56 PolarHBondContact O-N 3.3Å; V54-L57 PolarHBondContact O-N 3.14Å; V54-A58 PolarHBondContact O-N 3.33Å; V54-I642 HydrophobicContact CG1-CG2 4.15Å; V54-I642 HydrophobicContact CG2-CG2 4.35Å; V54-L690 HydrophobicContact CG2-CD1 4.46Å
55	D	74.9	Confident	64.2	Low	86 Å²	86	69.4 Å²	69.4	46%	0.46	46%	0.455	S	S	.	.	H	α-helix	trans	-63.2	-43.2	176.7	-52	-51.1	0	0	0	110.5	S52 L57 A58 D59	S52-D55 WeakPolarHBondContact CB-OD2 3.49Å; S52-D55 PolarHBondContact N-OD2 3.3Å; S52-D55 PolarHBondContact O-N 2.76Å; S52-D55 VanDerWaalsContact O-N 3.1Å; S52-D55 PolarHBondContact OG-N 3.1Å; S52-D55 PolarHBondContact OG-OD2 3.21Å; D55-L57 VanDerWaalsContact C-N 3.34Å; D55-L57 PolarHBondContact O-N 3.24Å; D55-A58 WeakPolarHBondContact O-CB 3.44Å; D55-A58 PolarHBondContact O-N 3.07Å; D55-D59 PolarHBondContact O-N 3Å
56	K	74.8	Confident	67.1	Low	104 Å²	104	64.2 Å²	64.2	45%	0.452	42%	0.424	S	S	.	.	H	α-helix	trans	-60.8	-42.1	175.3	-67.3	179.3	-178.1	178.2	0	112	S51 S52 V54 D59 I60	S51-K56 WeakPolarHBondContact O-CE 3.47Å; S51-K56 WeakPolarHBondContact OG-CE 3.34Å; S51-K56 VanDerWaalsContact OG-CG 3.3Å; S51-K56 WeakPolarHBondContact OG-CG 3.38Å; S52-K56 PolarHBondContact O-N 3.01Å; S52-K56 VanDerWaalsContact O-N 3.08Å; V54-K56 VanDerWaalsContact C-N 3.34Å; V54-K56 PolarHBondContact O-N 3.3Å; K56-D59 PolarHBondContact O-N 3.5Å; K56-I60 WeakPolarHBondContact O-CD1 3.5Å; K56-I60 WeakPolarHBondContact O-CG1 3.38Å; K56-I60 PolarHBondContact O-N 3.03Å
57	L	78.6	Confident	69.7	Low	3 Å²	3	60.4 Å²	60.4	2%	0.016	39%	0.388	C	S	.	.	H	α-helix	trans	-64	-40.8	175.6	179.8	63.9	0	0	0	111.3	P53 V54 D55 I60 V61 I642 F689 L690 I700	P53-L57 WeakPolarHBondContact O-CB 3.36Å; P53-L57 PolarHBondContact O-N 3.43Å; V54-L57 PolarHBondContact O-N 3.14Å; D55-L57 VanDerWaalsContact C-N 3.34Å; D55-L57 PolarHBondContact O-N 3.24Å; L57-I60 PolarHBondContact O-N 3.38Å; L57-V61 HydrophobicContact CD1-CG2 4.01Å; L57-V61 HydrophobicContact CG-CG2 4.21Å; L57-V61 WeakPolarHBondContact O-CB 3.4Å; L57-V61 VanDerWaalsContact O-CG2 3.29Å; L57-V61 WeakPolarHBondContact O-CG2 3.2Å; L57-V61 PolarHBondContact O-N 2.84Å; L57-I642 HydrophobicContact CD2-CD1 3.39Å; L57-F689 HydrophobicContact CD1-CE1 3.72Å; L57-F689 HydrophobicContact CD1-CZ 3.84Å; L57-F689 HydrophobicContact CD2-CE1 3.88Å; L57-F689 HydrophobicContact CG-CE1 4.46Å; L57-L690 HydrophobicContact CB-CD2 4.32Å; L57-L690 HydrophobicContact CD2-CD2 3.83Å; L57-I700 HydrophobicContact CD1-CD1 3.96Å
58	A	81.4	Confident	72.8	Confident	26 Å²	26	57 Å²	57	22%	0.215	35%	0.353	C	S	.	.	H	α-helix	trans	-61.7	-44.3	177.2	0	0	0	0	0	112.3	V54 D55 I60 V61 T62	V54-A58 PolarHBondContact O-N 3.33Å; D55-A58 WeakPolarHBondContact O-CB 3.44Å; D55-A58 PolarHBondContact O-N 3.07Å; A58-I60 VanDerWaalsContact C-N 3.33Å; A58-I60 PolarHBondContact O-N 3.09Å; A58-V61 PolarHBondContact O-N 2.99Å; A58-T62 WeakPolarHBondContact O-CB 3.45Å; A58-T62 PolarHBondContact O-N 2.82Å; A58-T62 PolarHBondContact O-OG1 2.9Å
59	D	80.3	Confident	75.5	Confident	102 Å²	102	52.5 Å²	52.5	55%	0.545	31%	0.312	S	S	.	.	H	α-helix	trans	-59.5	-42.7	174	-74.6	-20.8	0	0	0	111.9	D55 K56 K63	D55-D59 PolarHBondContact O-N 3Å; K56-D59 PolarHBondContact O-N 3.5Å; D59-K63 WeakPolarHBondContact O-CG 3.36Å; D59-K63 PolarHBondContact O-N 3.2Å; D59-K63 VanDerWaalsContact O-N 3.17Å
60	I	80.3	Confident	78.4	Confident	34 Å²	34	49.5 Å²	49.5	17%	0.174	28%	0.281	C	S	.	.	H	α-helix	trans	-69.5	-45	-179.9	-66.2	163.3	0	0	0	111.2	K56 L57 A58 T62 K63 M64 F694 I700	K56-I60 WeakPolarHBondContact O-CD1 3.5Å; K56-I60 WeakPolarHBondContact O-CG1 3.38Å; K56-I60 PolarHBondContact O-N 3.03Å; L57-I60 PolarHBondContact O-N 3.38Å; A58-I60 VanDerWaalsContact C-N 3.33Å; A58-I60 PolarHBondContact O-N 3.09Å; I60-T62 VanDerWaalsContact C-N 3.3Å; I60-T62 PolarHBondContact O-N 2.97Å; I60-K63 WeakPolarHBondContact O-CB 3.49Å; I60-K63 PolarHBondContact O-N 2.94Å; I60-M64 HydrophobicContact CG2-CE 3.33Å; I60-M64 HydrophobicContact CG2-CG 4.41Å; I60-M64 HydrophobicContact CG2-SD 3.76Å; I60-M64 WeakPolarHBondContact O-CG 3.44Å; I60-M64 PolarHBondContact O-N 3.07Å; I60-F694 HydrophobicContact CD1-CD2 4.17Å; I60-I700 HydrophobicContact CB-CD1 4.34Å; I60-I700 HydrophobicContact CD1-CD1 4.43Å; I60-I700 HydrophobicContact CG2-CD1 3.5Å
61	V	84.7	Confident	80.9	Confident	2 Å²	2	43.8 Å²	43.8	1%	0.012	24%	0.241	C	C	.	.	H	α-helix	trans	-59.4	-42	176.3	169.7	0	0	0	0	110.8	L57 A58 K63 M64 Q65 V635 K639	L57-V61 HydrophobicContact CD1-CG2 4.01Å; L57-V61 HydrophobicContact CG-CG2 4.21Å; L57-V61 WeakPolarHBondContact O-CB 3.4Å; L57-V61 VanDerWaalsContact O-CG2 3.29Å; L57-V61 WeakPolarHBondContact O-CG2 3.2Å; L57-V61 PolarHBondContact O-N 2.84Å; A58-V61 PolarHBondContact O-N 2.99Å; V61-K63 PolarHBondContact O-N 3.47Å; V61-M64 PolarHBondContact O-N 3Å; V61-Q65 HydrophobicContact CG1-CG 4.34Å; V61-Q65 WeakPolarHBondContact O-CG 3.42Å; V61-Q65 PolarHBondContact O-N 3.47Å; V61-V635 HydrophobicContact CG2-CG1 3.91Å; V61-K639 HydrophobicContact CB-CD 4.4Å; V61-K639 HydrophobicContact CG1-CD 4.17Å; V61-K639 HydrophobicContact CG2-CB 4.42Å
62	T	84.5	Confident	82.9	Confident	80 Å²	80	41.4 Å²	41.4	49%	0.491	22%	0.224	S	C	.	.	H	α-helix	trans	-61.5	-41.8	176.7	-56.8	0	0	0	0	112.1	A58 I60 S66	A58-T62 WeakPolarHBondContact O-CB 3.45Å; A58-T62 PolarHBondContact O-N 2.82Å; A58-T62 PolarHBondContact O-OG1 2.9Å; I60-T62 VanDerWaalsContact C-N 3.3Å; I60-T62 PolarHBondContact O-N 2.97Å; T62-S66 WeakPolarHBondContact O-CB 3.34Å; T62-S66 PolarHBondContact O-N 2.97Å; T62-S66 PolarHBondContact O-OG 3.35Å
63	K	83.8	Confident	84	Confident	148 Å²	148	39.1 Å²	39.1	64%	0.643	21%	0.208	S	C	*	.	H	α-helix	trans	-64.6	-41.3	173.9	-71.5	171.9	-178	177.2	0	112	D59 I60 V61 S66 L67	D59-K63 WeakPolarHBondContact O-CG 3.36Å; D59-K63 PolarHBondContact O-N 3.2Å; D59-K63 VanDerWaalsContact O-N 3.17Å; I60-K63 WeakPolarHBondContact O-CB 3.49Å; I60-K63 PolarHBondContact O-N 2.94Å; V61-K63 PolarHBondContact O-N 3.47Å; K63-S66 PolarHBondContact O-N 2.89Å; K63-L67 WeakPolarHBondContact O-CB 3.41Å; K63-L67 PolarHBondContact O-N 2.92Å
64	M	87.1	Confident	85.1	Confident	11 Å²	11	35.6 Å²	35.6	5%	0.054	19%	0.185	C	C	.	.	H	α-helix	trans	-67.2	-41.7	179	-76.4	173.1	-177.2	0	0	113.1	I60 V61 S66 L67 A68 V632 I700 F701	I60-M64 HydrophobicContact CG2-CE 3.33Å; I60-M64 HydrophobicContact CG2-CG 4.41Å; I60-M64 HydrophobicContact CG2-SD 3.76Å; I60-M64 WeakPolarHBondContact O-CG 3.44Å; I60-M64 PolarHBondContact O-N 3.07Å; V61-M64 PolarHBondContact O-N 3Å; M64-S66 VanDerWaalsContact C-N 3.31Å; M64-S66 PolarHBondContact O-N 3.34Å; M64-L67 PolarHBondContact O-N 3.41Å; M64-A68 WeakPolarHBondContact O-CB 3.5Å; M64-A68 PolarHBondContact O-N 3.29Å; M64-V632 HydrophobicContact CB-CG1 4.06Å; M64-V632 HydrophobicContact CB-CG2 3.9Å; M64-I700 HydrophobicContact CE-CB 4.43Å; M64-I700 HydrophobicContact CE-CD1 4.21Å; M64-I700 HydrophobicContact CE-CG2 3.16Å; M64-I700 HydrophobicContact SD-CD1 4.47Å; M64-I700 HydrophobicContact SD-CG2 4.16Å; M64-F701 HydrophobicContact CE-CE2 3.79Å; M64-F701 HydrophobicContact CE-CZ 4.08Å; M64-F701 HydrophobicContact CG-CZ 4.14Å; M64-F701 HydrophobicContact SD-CE1 4.32Å; M64-F701 HydrophobicContact SD-CE2 3.99Å; M64-F701 HydrophobicContact SD-CZ 3.63Å
65	Q	87.4	Confident	86.1	Confident	28 Å²	28	33.2 Å²	33.2	13%	0.131	17%	0.171	C	C	.	.	H	α-helix	trans	-61.7	-41.5	171.8	-71.1	176.3	-74.6	0	0	111	V61 L67 A68 R69 T330 V632	V61-Q65 HydrophobicContact CG1-CG 4.34Å; V61-Q65 WeakPolarHBondContact O-CG 3.42Å; V61-Q65 PolarHBondContact O-N 3.47Å; Q65-L67 VanDerWaalsContact C-N 3.33Å; Q65-L67 PolarHBondContact O-N 3.48Å; Q65-A68 PolarHBondContact O-N 2.9Å; Q65-R69 WeakPolarHBondContact O-CB 3.12Å; Q65-R69 PolarHBondContact O-N 3.19Å; Q65-T330 PolarHBondContact NE2-OG1 2.87Å; Q65-V632 HydrophobicContact CG-CG1 3.92Å
66	S	87.1	Confident	86.9	Confident	16 Å²	16	29.1 Å²	29.1	11%	0.112	15%	0.149	C	C	.	.	H	α-helix	trans	-64.5	-36.9	175.6	-53.8	0	0	0	0	112.1	T62 K63 M64 L70 I346	T62-S66 WeakPolarHBondContact O-CB 3.34Å; T62-S66 PolarHBondContact O-N 2.97Å; T62-S66 PolarHBondContact O-OG 3.35Å; K63-S66 PolarHBondContact O-N 2.89Å; M64-S66 VanDerWaalsContact C-N 3.31Å; M64-S66 PolarHBondContact O-N 3.34Å; S66-L70 WeakPolarHBondContact O-CB 3.3Å; S66-L70 PolarHBondContact O-N 3.12Å; S66-I346 VanDerWaalsContact C-CD1 3.43Å; S66-I346 VanDerWaalsContact O-CD1 3.24Å; S66-I346 WeakPolarHBondContact O-CD1 3.49Å
67	L	88.4	Confident	87.6	Confident	29 Å²	29	24.2 Å²	24.2	15%	0.152	13%	0.128	C	C	.	.	H	α-helix	trans	-68.9	-48.2	174.7	-169.2	69.7	0	0	0	111.9	K63 M64 Q65 R69 L70 V71 I346 L628 L760 L763	K63-L67 WeakPolarHBondContact O-CB 3.41Å; K63-L67 PolarHBondContact O-N 2.92Å; M64-L67 PolarHBondContact O-N 3.41Å; Q65-L67 VanDerWaalsContact C-N 3.33Å; Q65-L67 PolarHBondContact O-N 3.48Å; L67-R69 VanDerWaalsContact C-N 3.34Å; L67-R69 PolarHBondContact O-N 2.83Å; L67-L70 WeakPolarHBondContact O-CB 3.11Å; L67-L70 PolarHBondContact O-N 3.42Å; L67-L70 VanDerWaalsContact O-N 3.15Å; L67-V71 VanDerWaalsContact O-CG2 3.31Å; L67-V71 WeakPolarHBondContact O-CG2 3.41Å; L67-V71 PolarHBondContact O-N 2.59Å; L67-I346 HydrophobicContact CD1-CG2 3.71Å; L67-L628 HydrophobicContact CD2-CD2 4.31Å; L67-L628 HydrophobicContact CG-CD2 4.27Å; L67-L760 HydrophobicContact CD2-CD2 3.62Å; L67-L763 HydrophobicContact CD1-CD2 3.66Å; L67-L763 HydrophobicContact CD2-CD2 4.21Å; L67-L763 HydrophobicContact CG-CD2 4.06Å
68	A	90.3	Very high	88.3	Confident	0 Å²	0	24.3 Å²	24.3	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-59.8	-44.5	177	0	0	0	0	0	111.4	M64 Q65 L70 V71 N72 V632	M64-A68 WeakPolarHBondContact O-CB 3.5Å; M64-A68 PolarHBondContact O-N 3.29Å; Q65-A68 PolarHBondContact O-N 2.9Å; A68-L70 PolarHBondContact O-N 2.88Å; A68-V71 PolarHBondContact O-N 3.46Å; A68-N72 WeakPolarHBondContact O-CB 3.24Å; A68-N72 PolarHBondContact O-N 2.71Å; A68-N72 PolarHBondContact O-OD1 3.01Å; A68-V632 HydrophobicContact CB-CB 4.13Å; A68-V632 HydrophobicContact CB-CG1 4.11Å; A68-V632 HydrophobicContact CB-CG2 4.16Å
69	R	91.1	Very high	88.8	Confident	19 Å²	19	23.1 Å²	23.1	7%	0.072	12%	0.118	C	C	.	.	H	α-helix	trans	-52.2	-53.5	170.1	177.8	-163.4	-62.3	143.3	3.7	110.9	Q65 L67 V71 N72 G73 G328 F329 D335 L339 S342	Q65-R69 WeakPolarHBondContact O-CB 3.12Å; Q65-R69 PolarHBondContact O-N 3.19Å; L67-R69 VanDerWaalsContact C-N 3.34Å; L67-R69 PolarHBondContact O-N 2.83Å; R69-V71 PolarHBondContact O-N 2.83Å; R69-N72 PolarHBondContact O-N 3Å; R69-G73 PolarHBondContact O-N 2.73Å; R69-G328 PolarHBondContact N-O 3.34Å; R69-F329 HydrophobicContact CB-CD1 4.38Å; R69-F329 HydrophobicContact CG-CD1 4.05Å; R69-F329 HydrophobicContact CG-CE1 4.13Å; R69-F329 WeakPolarHBondContact O-CE1 3.45Å; R69-D335 WeakPolarHBondContact CD-O 3.29Å; R69-D335 HydrophobicContact CG-CB 4.08Å; R69-D335 WeakPolarHBondContact CG-O 3.49Å; R69-D335 IonicContact CZ-OD1 3.75Å; R69-D335 IonicContact NE-OD1 2.73Å; R69-D335 PolarHBondContact NE-OD1 2.68Å; R69-D335 IonicContact NH2-OD1 2.95Å; R69-D335 PolarHBondContact NH2-OD1 3.13Å; R69-L339 HydrophobicContact CG-CD2 3.99Å; R69-L339 HydrophobicContact CG-CG 4.23Å; R69-L339 WeakPolarHBondContact O-CD2 3.47Å; R69-S342 VanDerWaalsContact CD-OG 3.32Å; R69-S342 WeakPolarHBondContact CD-OG 3.39Å; R69-S342 PolarHBondContact NH1-OG 3.01Å
70	L	90.6	Very high	89.3	Confident	0 Å²	0	18.3 Å²	18.3	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-57.7	-46.9	179.1	177	61.9	0	0	0	112	S66 L67 A68 G73 I74 I346 L356 F360 F767	S66-L70 WeakPolarHBondContact O-CB 3.3Å; S66-L70 PolarHBondContact O-N 3.12Å; L67-L70 WeakPolarHBondContact O-CB 3.11Å; L67-L70 PolarHBondContact O-N 3.42Å; L67-L70 VanDerWaalsContact O-N 3.15Å; A68-L70 PolarHBondContact O-N 2.88Å; L70-G73 PolarHBondContact O-N 2.73Å; L70-I74 HydrophobicContact CD1-CD1 4.45Å; L70-I74 HydrophobicContact CG-CD1 4.25Å; L70-I74 WeakPolarHBondContact O-CG1 3.27Å; L70-I74 PolarHBondContact O-N 3.08Å; L70-I346 HydrophobicContact CB-CD1 4.16Å; L70-I346 HydrophobicContact CD2-CD1 4.03Å; L70-I346 HydrophobicContact CD2-CG2 4.49Å; L70-L356 HydrophobicContact CD1-CD1 4.43Å; L70-F360 HydrophobicContact CD1-CE2 3.49Å; L70-F360 VanDerWaalsContact CD1-CE2 3.49Å; L70-F360 HydrophobicContact CD1-CZ 3.98Å; L70-F767 HydrophobicContact CD2-CZ 4.07Å
71	V	91.8	Very high	89.7	Confident	0 Å²	0	18 Å²	18	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-68.2	-40.4	-177.9	-179.1	0	0	0	0	112	L67 A68 R69 G73 I74 S75 F618 I624 A625 L628 L763	L67-V71 VanDerWaalsContact O-CG2 3.31Å; L67-V71 WeakPolarHBondContact O-CG2 3.41Å; L67-V71 PolarHBondContact O-N 2.59Å; A68-V71 PolarHBondContact O-N 3.46Å; R69-V71 PolarHBondContact O-N 2.83Å; V71-G73 VanDerWaalsContact C-N 3.35Å; V71-I74 PolarHBondContact O-N 2.83Å; V71-S75 PolarHBondContact O-N 2.92Å; V71-F618 HydrophobicContact CG1-CE1 3.92Å; V71-F618 HydrophobicContact CG1-CZ 4Å; V71-I624 HydrophobicContact CG1-CG2 4.44Å; V71-A625 HydrophobicContact CG1-CB 3.92Å; V71-L628 HydrophobicContact CB-CD2 4.13Å; V71-L628 HydrophobicContact CG1-CD2 4.4Å; V71-L628 HydrophobicContact CG2-CD2 3.79Å; V71-L763 HydrophobicContact CG1-CD1 4.47Å; V71-L763 HydrophobicContact CG2-CD1 3.54Å; V71-L763 HydrophobicContact CG2-CD2 3.59Å; V71-L763 HydrophobicContact CG2-CG 4.22Å
72	N	92.4	Very high	89.9	Confident	2 Å²	2	20.9 Å²	20.9	1%	0.011	11%	0.106	C	C	.	.	H	α-helix	trans	-62.4	-40.6	170.3	-87.8	66.4	0	0	0	111.7	A68 R69 S75 L76 L325 I327 G328 F329 A625	A68-N72 WeakPolarHBondContact O-CB 3.24Å; A68-N72 PolarHBondContact O-N 2.71Å; A68-N72 PolarHBondContact O-OD1 3.01Å; R69-N72 PolarHBondContact O-N 3Å; N72-S75 PolarHBondContact O-N 3.41Å; N72-L76 VanDerWaalsContact O-CB 3.22Å; N72-L76 WeakPolarHBondContact O-CB 3.44Å; N72-L76 PolarHBondContact O-N 3.44Å; N72-L325 PolarHBondContact ND2-O 3.08Å; N72-I327 PolarHBondContact ND2-N 2.84Å; N72-G328 PolarHBondContact ND2-N 2.97Å; N72-G328 WeakPolarHBondContact OD1-CA 3.41Å; N72-G328 PolarHBondContact OD1-N 3.45Å; N72-F329 HydrophobicContact CB-CD1 4.23Å; N72-F329 HydrophobicContact CB-CD2 4.39Å; N72-F329 HydrophobicContact CB-CE1 3.78Å; N72-F329 HydrophobicContact CB-CE2 3.95Å; N72-F329 HydrophobicContact CB-CZ 3.64Å; N72-A625 PolarHBondContact OD1-O 3.36Å
73	G	91.8	Very high	90.1	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-58.9	-46.6	174.4	0	0	0	0	0	113.1	R69 L70 V71 L76 E77	R69-G73 PolarHBondContact O-N 2.73Å; L70-G73 PolarHBondContact O-N 2.73Å; V71-G73 VanDerWaalsContact C-N 3.35Å; G73-L76 PolarHBondContact O-N 3.26Å; G73-E77 WeakPolarHBondContact O-CB 3.38Å; G73-E77 PolarHBondContact O-N 3.48Å
74	I	92.3	Very high	90.4	Very high	0 Å²	0	14.5 Å²	14.5	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-58.7	-49.6	174.1	-61.8	162.8	0	0	0	110.3	L70 V71 L76 E77 I78 L356 F360 L614 F618 F766	L70-I74 HydrophobicContact CD1-CD1 4.45Å; L70-I74 HydrophobicContact CG-CD1 4.25Å; L70-I74 WeakPolarHBondContact O-CG1 3.27Å; L70-I74 PolarHBondContact O-N 3.08Å; V71-I74 PolarHBondContact O-N 2.83Å; I74-L76 VanDerWaalsContact C-N 3.31Å; I74-L76 PolarHBondContact O-N 3.25Å; I74-E77 PolarHBondContact O-N 3.34Å; I74-I78 HydrophobicContact CG2-CD1 3.71Å; I74-I78 HydrophobicContact CG2-CG1 4.39Å; I74-I78 VanDerWaalsContact O-CG1 3.27Å; I74-I78 WeakPolarHBondContact O-CG1 3.39Å; I74-I78 PolarHBondContact O-N 3.2Å; I74-L356 HydrophobicContact CG1-CD2 4.37Å; I74-F360 HydrophobicContact CG1-CE1 4.44Å; I74-F360 HydrophobicContact CG1-CZ 3.72Å; I74-L614 HydrophobicContact CG1-CD2 4.45Å; I74-L614 HydrophobicContact CG2-CB 4.22Å; I74-L614 HydrophobicContact CG2-CD1 4.44Å; I74-L614 HydrophobicContact CG2-CD2 4.05Å; I74-L614 HydrophobicContact CG2-CG 4.47Å; I74-F618 HydrophobicContact CB-CD1 4.44Å; I74-F618 HydrophobicContact CG2-CD1 3.65Å; I74-F618 HydrophobicContact CG2-CE1 4.29Å; I74-F766 HydrophobicContact CD1-CD1 4.29Å; I74-F766 HydrophobicContact CD1-CE1 3.44Å; I74-F766 VanDerWaalsContact CD1-CE1 3.44Å; I74-F766 HydrophobicContact CD1-CZ 3.75Å; I74-F766 HydrophobicContact CG1-CZ 4.44Å; I74-F766 HydrophobicContact CG2-CE2 4.5Å; I74-F766 HydrophobicContact CG2-CZ 4.27Å
75	S	93.7	Very high	90.5	Very high	7 Å²	7	14.2 Å²	14.2	5%	0.049	9%	0.087	C	C	.	.	H	α-helix	trans	-63.6	-37.1	-178	-175.3	0	0	0	0	112.8	V71 N72 G79 Q622	V71-S75 PolarHBondContact O-N 2.92Å; N72-S75 PolarHBondContact O-N 3.41Å; S75-G79 PolarHBondContact O-N 3.16Å; S75-Q622 WeakPolarHBondContact OG-CA 3.45Å; S75-Q622 WeakPolarHBondContact OG-CG 3.32Å; S75-Q622 PolarHBondContact OG-N 2.59Å; S75-Q622 VanDerWaalsContact OG-N 3.17Å
76	L	92.1	Very high	90.7	Very high	1 Å²	1	16 Å²	16	1%	0.005	10%	0.102	C	C	.	.	H	α-helix	trans	-71.9	-40.2	-179.3	-173.4	52.6	0	0	0	111.3	N72 G73 I74 G79 F80 I85 A90 M326 F329 F363	N72-L76 VanDerWaalsContact O-CB 3.22Å; N72-L76 WeakPolarHBondContact O-CB 3.44Å; N72-L76 PolarHBondContact O-N 3.44Å; G73-L76 PolarHBondContact O-N 3.26Å; I74-L76 VanDerWaalsContact C-N 3.31Å; I74-L76 PolarHBondContact O-N 3.25Å; L76-G79 PolarHBondContact O-N 3.44Å; L76-F80 HydrophobicContact CD1-CD1 4.4Å; L76-F80 HydrophobicContact CD1-CD2 4.2Å; L76-F80 HydrophobicContact CD1-CE1 3.88Å; L76-F80 HydrophobicContact CD1-CE2 3.68Å; L76-F80 HydrophobicContact CD1-CZ 3.5Å; L76-F80 VanDerWaalsContact CD1-CZ 3.5Å; L76-F80 HydrophobicContact CD2-CE2 4.31Å; L76-F80 HydrophobicContact CG-CD2 4.15Å; L76-F80 HydrophobicContact CG-CE2 3.66Å; L76-F80 HydrophobicContact CG-CZ 4Å; L76-F80 WeakPolarHBondContact O-CD2 3.12Å; L76-F80 WeakPolarHBondContact O-CG 3.19Å; L76-F80 PolarHBondContact O-N 3.03Å; L76-I85 HydrophobicContact CD1-CD1 3.95Å; L76-I85 HydrophobicContact CD1-CG2 4.17Å; L76-A90 HydrophobicContact CD1-CB 4.1Å; L76-M326 HydrophobicContact CD1-CE 4.25Å; L76-M326 HydrophobicContact CD2-CE 3.64Å; L76-F329 HydrophobicContact CD2-CE2 3.9Å; L76-F329 HydrophobicContact CD2-CZ 4.34Å; L76-F363 HydrophobicContact CB-CE1 4.33Å; L76-F363 HydrophobicContact CB-CZ 4.22Å; L76-F363 HydrophobicContact CD2-CE1 3.81Å; L76-F363 HydrophobicContact CD2-CZ 4.49Å; L76-F363 HydrophobicContact CG-CE1 4.02Å; L76-F363 HydrophobicContact CG-CZ 4.22Å
77	E	91.1	Very high	90.8	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-62.9	-47.5	173.3	-171.8	64	-175.9	0	0	111.5	G73 I74 G79 F80 I81 F363 M603 A611 L614	G73-E77 WeakPolarHBondContact O-CB 3.38Å; G73-E77 PolarHBondContact O-N 3.48Å; I74-E77 PolarHBondContact O-N 3.34Å; E77-G79 VanDerWaalsContact C-N 3.33Å; E77-G79 PolarHBondContact O-N 3.44Å; E77-F80 PolarHBondContact O-N 3.19Å; E77-I81 HydrophobicContact CG-CD1 3.9Å; E77-I81 WeakPolarHBondContact O-CB 3.17Å; E77-I81 VanDerWaalsContact O-CG1 3.26Å; E77-I81 WeakPolarHBondContact O-CG1 3.31Å; E77-I81 PolarHBondContact O-N 3.49Å; E77-F363 HydrophobicContact CB-CE2 3.94Å; E77-F363 HydrophobicContact CB-CZ 4.11Å; E77-F363 HydrophobicContact CG-CE2 4.41Å; E77-F363 WeakPolarHBondContact OE2-CE2 3.33Å; E77-M603 WeakPolarHBondContact OE2-CE 3.3Å; E77-A611 HydrophobicContact CG-CB 4.41Å; E77-L614 HydrophobicContact CB-CD1 4.17Å; E77-L614 HydrophobicContact CG-CD1 3.92Å
78	I	92.2	Very high	90.8	Very high	6 Å²	6	17 Å²	17	3%	0.031	11%	0.107	C	C	.	.	H	α-helix	trans	-57	-48.3	175.7	-69	170	0	0	0	110.7	I74 F80 I81 D82 L614 K615 F618	I74-I78 HydrophobicContact CG2-CD1 3.71Å; I74-I78 HydrophobicContact CG2-CG1 4.39Å; I74-I78 VanDerWaalsContact O-CG1 3.27Å; I74-I78 WeakPolarHBondContact O-CG1 3.39Å; I74-I78 PolarHBondContact O-N 3.2Å; I78-F80 PolarHBondContact O-N 3.3Å; I78-I81 PolarHBondContact O-N 3.23Å; I78-D82 PolarHBondContact O-N 3.45Å; I78-L614 HydrophobicContact CD1-CB 3.96Å; I78-L614 HydrophobicContact CG1-CB 3.73Å; I78-K615 HydrophobicContact CG1-CB 4.26Å; I78-K615 HydrophobicContact CG2-CB 4.11Å; I78-K615 HydrophobicContact CG2-CG 4.17Å; I78-F618 HydrophobicContact CD1-CB 3.89Å; I78-F618 HydrophobicContact CD1-CD1 4.34Å
79	G	91.3	Very high	90.7	Very high	0 Å²	0	20 Å²	20	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-70.7	-29	-175.5	0	0	0	0	0	114.5	S75 L76 E77 G83 S84 I85	S75-G79 PolarHBondContact O-N 3.16Å; L76-G79 PolarHBondContact O-N 3.44Å; E77-G79 VanDerWaalsContact C-N 3.33Å; E77-G79 PolarHBondContact O-N 3.44Å; G79-G83 CarbonylContact O-C 3.59Å; G79-G83 VanDerWaalsContact O-CA 3.28Å; G79-G83 WeakPolarHBondContact O-CA 3.43Å; G79-G83 PolarHBondContact O-N 3.27Å; G79-S84 WeakPolarHBondContact CA-OG 3.37Å; G79-S84 PolarHBondContact O-N 3.47Å; G79-S84 VanDerWaalsContact O-N 3.15Å; G79-I85 PolarHBondContact O-N 3.11Å
80	F	91.4	Very high	90.6	Very high	1 Å²	1	19.1 Å²	19.1	0%	0.004	12%	0.12	C	C	.	.	H	α-helix	trans	-70.6	-46.1	168.6	-72.4	-31.7	0	0	0	111.9	L76 E77 I78 D82 G83 I85 A90 F366 A600 M603 K604	L76-F80 HydrophobicContact CD1-CD1 4.4Å; L76-F80 HydrophobicContact CD1-CD2 4.2Å; L76-F80 HydrophobicContact CD1-CE1 3.88Å; L76-F80 HydrophobicContact CD1-CE2 3.68Å; L76-F80 HydrophobicContact CD1-CZ 3.5Å; L76-F80 VanDerWaalsContact CD1-CZ 3.5Å; L76-F80 HydrophobicContact CD2-CE2 4.31Å; L76-F80 HydrophobicContact CG-CD2 4.15Å; L76-F80 HydrophobicContact CG-CE2 3.66Å; L76-F80 HydrophobicContact CG-CZ 4Å; L76-F80 WeakPolarHBondContact O-CD2 3.12Å; L76-F80 WeakPolarHBondContact O-CG 3.19Å; L76-F80 PolarHBondContact O-N 3.03Å; E77-F80 PolarHBondContact O-N 3.19Å; I78-F80 PolarHBondContact O-N 3.3Å; F80-D82 VanDerWaalsContact C-N 3.33Å; F80-D82 PolarHBondContact O-N 3.14Å; F80-G83 PolarHBondContact O-N 2.97Å; F80-I85 HydrophobicContact CD1-CG2 4.4Å; F80-I85 HydrophobicContact CE1-CG2 4.16Å; F80-A90 HydrophobicContact CE1-CB 3.63Å; F80-A90 HydrophobicContact CZ-CB 3.71Å; F80-F366 HydrophobicContact CE2-CE1 4.42Å; F80-F366 HydrophobicContact CZ-CE1 4.49Å; F80-F366 HydrophobicContact CZ-CZ 4.42Å; F80-A600 HydrophobicContact CZ-CB 4.35Å; F80-M603 HydrophobicContact CB-CB 4.35Å; F80-M603 HydrophobicContact CD2-CB 3.97Å; F80-M603 HydrophobicContact CD2-CE 3.89Å; F80-M603 HydrophobicContact CD2-SD 4.25Å; F80-M603 HydrophobicContact CE2-CE 4Å; F80-M603 HydrophobicContact CE2-SD 4.15Å; F80-M603 HydrophobicContact CG-CB 4.47Å; F80-K604 WeakPolarHBondContact O-CA 3.34Å; F80-K604 WeakPolarHBondContact O-CB 3.42Å; F80-K604 WeakPolarHBondContact O-CG 3.46Å
81	I	89.3	Confident	90.5	Very high	28 Å²	28	19.2 Å²	19.2	14%	0.144	12%	0.121	C	C	.	.	H	α-helix	trans	-59.2	-42.5	-179.1	-73.6	168.9	0	0	0	111.5	E77 I78 A611 L612	E77-I81 HydrophobicContact CG-CD1 3.9Å; E77-I81 WeakPolarHBondContact O-CB 3.17Å; E77-I81 VanDerWaalsContact O-CG1 3.26Å; E77-I81 WeakPolarHBondContact O-CG1 3.31Å; E77-I81 PolarHBondContact O-N 3.49Å; I78-I81 PolarHBondContact O-N 3.23Å; I81-A611 HydrophobicContact CD1-CB 3.81Å; I81-L612 HydrophobicContact CG2-CD2 4.06Å
82	D	89.3	Confident	90.3	Very high	62 Å²	62	19.2 Å²	19.2	33%	0.332	12%	0.121	S	C	.	.	H	α-helix	trans	-98	-5.6	-179.3	75.7	10.9	0	0	0	116.3	I78 F80 S84 K615	I78-D82 PolarHBondContact O-N 3.45Å; F80-D82 VanDerWaalsContact C-N 3.33Å; F80-D82 PolarHBondContact O-N 3.14Å; D82-S84 VanDerWaalsContact C-N 3.28Å; D82-S84 PolarHBondContact O-N 2.9Å; D82-S84 WeakPolarHBondContact OD1-CB 3.37Å; D82-S84 PolarHBondContact OD1-N 2.91Å; D82-S84 PolarHBondContact OD1-OG 3.02Å; D82-K615 HydrophobicContact CB-CD 4.03Å; D82-K615 VanDerWaalsContact OD2-CE 3.3Å; D82-K615 WeakPolarHBondContact OD2-CE 3.35Å; D82-K615 IonicContact OD2-NZ 2.87Å; D82-K615 PolarHBondContact OD2-NZ 2.71Å
83	G	87.9	Confident	90.1	Very high	33 Å²	33	20.5 Å²	20.5	34%	0.34	13%	0.127	S	C	.	.	S	Bend	trans	74.6	12.8	178.5	0	0	0	0	0	114.6	G79 F80 I85	G79-G83 CarbonylContact O-C 3.59Å; G79-G83 VanDerWaalsContact O-CA 3.28Å; G79-G83 WeakPolarHBondContact O-CA 3.43Å; G79-G83 PolarHBondContact O-N 3.27Å; F80-G83 PolarHBondContact O-N 2.97Å; G83-I85 PolarHBondContact O-N 2.99Å
84	S	89.6	Confident	89.8	Confident	61 Å²	61	20.9 Å²	20.9	43%	0.427	13%	0.129	S	C	.	.	S	Bend	trans	-69.1	-15.8	168.6	59.8	0	0	0	0	113.2	G79 D82 Q622	G79-S84 WeakPolarHBondContact CA-OG 3.37Å; G79-S84 PolarHBondContact O-N 3.47Å; G79-S84 VanDerWaalsContact O-N 3.15Å; D82-S84 VanDerWaalsContact C-N 3.28Å; D82-S84 PolarHBondContact O-N 2.9Å; D82-S84 WeakPolarHBondContact OD1-CB 3.37Å; D82-S84 PolarHBondContact OD1-N 2.91Å; D82-S84 PolarHBondContact OD1-OG 3.02Å; S84-Q622 PolarHBondContact OG-NE2 2.96Å; S84-Q622 VanDerWaalsContact OG-NE2 3.09Å
85	I	90.4	Very high	89.4	Confident	5 Å²	5	21 Å²	21	3%	0.026	13%	0.129	C	C	.	.	S	Bend	trans	-115	111.2	168.1	-60.5	173.8	0	0	0	108.8	L76 G79 F80 G83 A90 L325 Q622	L76-I85 HydrophobicContact CD1-CD1 3.95Å; L76-I85 HydrophobicContact CD1-CG2 4.17Å; G79-I85 PolarHBondContact O-N 3.11Å; F80-I85 HydrophobicContact CD1-CG2 4.4Å; F80-I85 HydrophobicContact CE1-CG2 4.16Å; G83-I85 PolarHBondContact O-N 2.99Å; I85-A90 HydrophobicContact CG2-CB 3.84Å; I85-L325 HydrophobicContact CD1-CD2 3.97Å; I85-L325 HydrophobicContact CG1-CD2 3.96Å; I85-L325 HydrophobicContact CG2-CD1 3.75Å; I85-L325 HydrophobicContact CG2-CD2 4.26Å; I85-Q622 HydrophobicContact CD1-CG 4.48Å
86	P	90.1	Very high	88.9	Confident	66 Å²	66	26 Å²	26	43%	0.429	15%	0.148	S	C	.	.			trans	-64.1	136.2	171.8	-23.6	36.7	0	0	0	111.5	D88 D89 A90	P86-D88 VanDerWaalsContact C-N 3.29Å; P86-D88 PolarHBondContact O-N 3.34Å; P86-D89 HydrophobicContact CB-CB 4.25Å; P86-D89 WeakPolarHBondContact CB-OD2 3.4Å; P86-D89 VanDerWaalsContact CG-OD2 3.24Å; P86-D89 WeakPolarHBondContact CG-OD2 3.16Å; P86-D89 PolarHBondContact O-N 3.34Å; P86-D89 VanDerWaalsContact O-N 3.14Å; P86-A90 PolarHBondContact O-N 2.99Å; P86-A90 VanDerWaalsContact O-N 3.14Å
87	S	89.4	Confident	88.4	Confident	22 Å²	22	26.3 Å²	26.3	15%	0.154	15%	0.15	C	C	.	.	H	α-helix	trans	-60.4	-36.9	-176.7	-55.5	0	0	0	0	113.4	I91	S87-I91 WeakPolarHBondContact O-CB 3.4Å; S87-I91 WeakPolarHBondContact O-CD1 3.39Å; S87-I91 WeakPolarHBondContact O-CG1 3.4Å; S87-I91 PolarHBondContact O-N 2.81Å
88	D	88.6	Confident	88	Confident	43 Å²	43	29.4 Å²	29.4	23%	0.23	17%	0.166	C	C	.	.	H	α-helix	trans	-68.1	-36.7	176.9	-88	-12.3	0	0	0	112.3	P86 I91 A92 L102 Q103 R597	P86-D88 VanDerWaalsContact C-N 3.29Å; P86-D88 PolarHBondContact O-N 3.34Å; D88-I91 PolarHBondContact O-N 3.41Å; D88-A92 WeakPolarHBondContact O-CB 3.44Å; D88-A92 PolarHBondContact O-N 2.92Å; D88-L102 HydrophobicContact CB-CD1 4.38Å; D88-L102 WeakPolarHBondContact O-CD1 3.38Å; D88-Q103 PolarHBondContact OD2-NE2 3.3Å; D88-R597 IonicContact OD1-CZ 3.44Å; D88-R597 IonicContact OD1-NE 3.32Å; D88-R597 PolarHBondContact OD1-NE 3.37Å; D88-R597 IonicContact OD1-NH2 2.71Å; D88-R597 PolarHBondContact OD1-NH2 3.05Å; D88-R597 IonicContact OD2-CZ 2.68Å; D88-R597 IonicContact OD2-NE 3.61Å; D88-R597 IonicContact OD2-NH2 3.62Å; D88-R597 PolarHBondContact OD2-NH2 2.64Å
89	D	88.7	Confident	87.6	Confident	65 Å²	65	31 Å²	31	35%	0.348	18%	0.177	S	C	.	.	H	α-helix	trans	-68.7	-43.9	179.5	-60.7	-12.9	0	0	0	110.7	P86 A92 E93 P99 L325	P86-D89 HydrophobicContact CB-CB 4.25Å; P86-D89 WeakPolarHBondContact CB-OD2 3.4Å; P86-D89 VanDerWaalsContact CG-OD2 3.24Å; P86-D89 WeakPolarHBondContact CG-OD2 3.16Å; P86-D89 PolarHBondContact O-N 3.34Å; P86-D89 VanDerWaalsContact O-N 3.14Å; D89-A92 PolarHBondContact O-N 3.23Å; D89-E93 PolarHBondContact O-N 3.37Å; D89-P99 WeakPolarHBondContact OD1-CG 3.27Å; D89-L325 HydrophobicContact CB-CD1 4.49Å
90	A	88.3	Confident	87.2	Confident	0 Å²	0	34.3 Å²	34.3	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-62	-43.3	174.3	0	0	0	0	0	112.7	L76 F80 I85 P86 A92 L94 L325 M326	L76-A90 HydrophobicContact CD1-CB 4.1Å; F80-A90 HydrophobicContact CE1-CB 3.63Å; F80-A90 HydrophobicContact CZ-CB 3.71Å; I85-A90 HydrophobicContact CG2-CB 3.84Å; P86-A90 PolarHBondContact O-N 2.99Å; P86-A90 VanDerWaalsContact O-N 3.14Å; A90-A92 VanDerWaalsContact C-N 3.35Å; A90-L94 WeakPolarHBondContact O-CB 3.44Å; A90-L94 WeakPolarHBondContact O-CD1 3.19Å; A90-L94 VanDerWaalsContact O-CG 3.31Å; A90-L94 WeakPolarHBondContact O-CG 3.29Å; A90-L94 PolarHBondContact O-N 2.97Å; A90-L325 HydrophobicContact CB-CD1 4.28Å; A90-M326 HydrophobicContact CB-CE 4.18Å
91	I	89.5	Confident	87	Confident	1 Å²	1	36.4 Å²	36.4	1%	0.005	21%	0.209	C	C	.	.	H	α-helix	trans	-67.7	-36.7	177.1	-68.7	165.4	0	0	0	110.9	S87 D88 L95 L102 F366 L593 L596 R597 A600	S87-I91 WeakPolarHBondContact O-CB 3.4Å; S87-I91 WeakPolarHBondContact O-CD1 3.39Å; S87-I91 WeakPolarHBondContact O-CG1 3.4Å; S87-I91 PolarHBondContact O-N 2.81Å; D88-I91 PolarHBondContact O-N 3.41Å; I91-L95 HydrophobicContact CG2-CD1 3.75Å; I91-L95 HydrophobicContact CG2-CG 4.43Å; I91-L95 WeakPolarHBondContact O-CB 3.46Å; I91-L95 VanDerWaalsContact O-CG 3.23Å; I91-L95 WeakPolarHBondContact O-CG 3.46Å; I91-L95 PolarHBondContact O-N 3.14Å; I91-L95 VanDerWaalsContact O-N 3.09Å; I91-L102 HydrophobicContact CB-CD1 4.12Å; I91-L102 HydrophobicContact CG2-CD1 3.84Å; I91-L102 HydrophobicContact CG2-CD2 4.38Å; I91-F366 HydrophobicContact CG1-CE2 4.22Å; I91-F366 HydrophobicContact CG1-CZ 4.1Å; I91-L593 HydrophobicContact CG2-CD1 3.68Å; I91-L596 HydrophobicContact CD1-CB 4.1Å; I91-L596 HydrophobicContact CG2-CD1 4.47Å; I91-R597 HydrophobicContact CD1-CB 4.48Å; I91-R597 HydrophobicContact CD1-CG 3.9Å; I91-A600 HydrophobicContact CD1-CB 4.16Å
92	A	87.8	Confident	86.9	Confident	1 Å²	1	35 Å²	35	1%	0.008	20%	0.203	C	C	.	.	H	α-helix	trans	-66.4	-47.8	178.8	0	0	0	0	0	111.3	D88 D89 A90 L94 L95 Y96 T97 P99 L102	D88-A92 WeakPolarHBondContact O-CB 3.44Å; D88-A92 PolarHBondContact O-N 2.92Å; D89-A92 PolarHBondContact O-N 3.23Å; A90-A92 VanDerWaalsContact C-N 3.35Å; A92-L94 PolarHBondContact O-N 2.9Å; A92-L95 CarbonylContact O-C 3.46Å; A92-L95 PolarHBondContact O-N 3.49Å; A92-Y96 PolarHBondContact O-N 3.26Å; A92-Y96 VanDerWaalsContact O-N 3.09Å; A92-T97 CarbonylContact C-O 3.58Å; A92-T97 VanDerWaalsContact C-O 3.31Å; A92-T97 HydrophobicContact CB-CG2 4.27Å; A92-T97 WeakPolarHBondContact CB-O 3.5Å; A92-T97 PolarHBondContact O-N 3.2Å; A92-T97 VanDerWaalsContact O-O 3.06Å; A92-P99 HydrophobicContact CB-CB 4.16Å; A92-P99 HydrophobicContact CB-CG 3.69Å; A92-L102 HydrophobicContact CB-CD1 3.93Å; A92-L102 HydrophobicContact CB-CG 4.29Å
93	E	86.4	Confident	86.7	Confident	28 Å²	28	36.8 Å²	36.8	13%	0.131	21%	0.209	C	C	.	.	H	α-helix	trans	-62	-42.8	177.2	-159.7	-177.6	129.3	0	0	111.4	D89 L95 Y96 V323 Q324 L325 M326	D89-E93 PolarHBondContact O-N 3.37Å; E93-L95 VanDerWaalsContact C-N 3.27Å; E93-L95 PolarHBondContact O-N 3.48Å; E93-Y96 PolarHBondContact O-N 3.49Å; E93-Y96 VanDerWaalsContact O-N 3.08Å; E93-V323 HydrophobicContact CG-CG1 4.41Å; E93-V323 WeakPolarHBondContact OE1-CA 3.37Å; E93-V323 WeakPolarHBondContact OE1-CG1 3.38Å; E93-Q324 VanDerWaalsContact CD-N 3.26Å; E93-Q324 PolarHBondContact OE1-N 3.18Å; E93-Q324 PolarHBondContact OE2-N 3.48Å; E93-Q324 VanDerWaalsContact OE2-N 3.17Å; E93-L325 VanDerWaalsContact CD-N 3.3Å; E93-L325 PolarHBondContact OE1-N 3.24Å; E93-L325 WeakPolarHBondContact OE2-CB 3.49Å; E93-L325 WeakPolarHBondContact OE2-CG 3.44Å; E93-L325 PolarHBondContact OE2-N 2.72Å; E93-M326 HydrophobicContact CB-CG 4Å; E93-M326 HydrophobicContact CG-CB 4.29Å; E93-M326 HydrophobicContact CG-CG 3.86Å; E93-M326 WeakPolarHBondContact OE1-CB 3.48Å; E93-M326 WeakPolarHBondContact OE1-CG 3.45Å; E93-M326 PolarHBondContact OE1-N 2.86Å
94	L	85.6	Confident	86.7	Confident	9 Å²	9	37.7 Å²	37.7	5%	0.047	20%	0.204	C	C	.	.	H	α-helix	trans	-55.7	-40	173.7	-87.2	166.7	0	0	0	114.2	A90 A92 Y96 M326 I336 F366 I370	A90-L94 WeakPolarHBondContact O-CB 3.44Å; A90-L94 WeakPolarHBondContact O-CD1 3.19Å; A90-L94 VanDerWaalsContact O-CG 3.31Å; A90-L94 WeakPolarHBondContact O-CG 3.29Å; A90-L94 PolarHBondContact O-N 2.97Å; A92-L94 PolarHBondContact O-N 2.9Å; L94-Y96 VanDerWaalsContact C-N 3.28Å; L94-M326 HydrophobicContact CD1-CE 3.87Å; L94-M326 HydrophobicContact CD1-SD 4.25Å; L94-M326 HydrophobicContact CD2-CE 4.11Å; L94-M326 HydrophobicContact CD2-CG 4.4Å; L94-M326 HydrophobicContact CD2-SD 3.35Å; L94-M326 WeakPolarHBondContact CD2-SD 3.37Å; L94-M326 HydrophobicContact CG-CE 3.57Å; L94-M326 HydrophobicContact CG-CG 4.29Å; L94-M326 HydrophobicContact CG-SD 3.44Å; L94-M326 WeakPolarHBondContact CG-SD 3.48Å; L94-I336 HydrophobicContact CD1-CD1 4.1Å; L94-I336 HydrophobicContact CD2-CD1 3.53Å; L94-I336 HydrophobicContact CG-CD1 4.41Å; L94-F366 HydrophobicContact CD1-CE1 3.57Å; L94-F366 HydrophobicContact CD1-CZ 3.66Å; L94-I370 HydrophobicContact CD1-CD1 3.54Å; L94-I370 HydrophobicContact CD1-CG1 4.21Å; L94-I370 HydrophobicContact CD2-CD1 3.98Å; L94-I370 HydrophobicContact CG-CD1 4.28Å
95	L	84.6	Confident	86.6	Confident	1 Å²	1	35 Å²	35	1%	0.005	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.6	10.1	-176.9	-61.9	178.3	0	0	0	111.8	I91 A92 E93 T97 L102 K315 I370 F373 E374 L593 L596	I91-L95 HydrophobicContact CG2-CD1 3.75Å; I91-L95 HydrophobicContact CG2-CG 4.43Å; I91-L95 WeakPolarHBondContact O-CB 3.46Å; I91-L95 VanDerWaalsContact O-CG 3.23Å; I91-L95 WeakPolarHBondContact O-CG 3.46Å; I91-L95 PolarHBondContact O-N 3.14Å; I91-L95 VanDerWaalsContact O-N 3.09Å; A92-L95 CarbonylContact O-C 3.46Å; A92-L95 PolarHBondContact O-N 3.49Å; E93-L95 VanDerWaalsContact C-N 3.27Å; E93-L95 PolarHBondContact O-N 3.48Å; L95-T97 HydrophobicContact CB-CG2 3.91Å; L95-T97 PolarHBondContact O-N 3.43Å; L95-L102 HydrophobicContact CD1-CD2 4.31Å; L95-K315 PolarHBondContact O-NZ 3.3Å; L95-I370 HydrophobicContact CD2-CG2 3.88Å; L95-F373 HydrophobicContact CB-CE1 4.38Å; L95-F373 HydrophobicContact CD1-CD1 3.87Å; L95-F373 HydrophobicContact CD1-CD2 4.2Å; L95-F373 HydrophobicContact CD1-CE1 3.72Å; L95-F373 HydrophobicContact CD1-CE2 4.04Å; L95-F373 HydrophobicContact CD1-CG 4.11Å; L95-F373 HydrophobicContact CD1-CZ 3.8Å; L95-F373 HydrophobicContact CD2-CB 4.4Å; L95-F373 HydrophobicContact CD2-CD1 3.38Å; L95-F373 HydrophobicContact CD2-CE1 3.79Å; L95-F373 HydrophobicContact CD2-CG 4Å; L95-F373 HydrophobicContact CG-CD1 4.18Å; L95-F373 HydrophobicContact CG-CE1 4.17Å; L95-E374 HydrophobicContact CD2-CG 4.37Å; L95-L593 HydrophobicContact CD1-CD1 4.43Å; L95-L596 HydrophobicContact CD1-CD1 4.18Å
96	Y	82.8	Confident	86.3	Confident	114 Å²	114	37.8 Å²	37.8	45%	0.447	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.6	44.6	-177.6	-64	-91	0	0	0	112.5	A92 E93 L94 T318 V323	A92-Y96 PolarHBondContact O-N 3.26Å; A92-Y96 VanDerWaalsContact O-N 3.09Å; E93-Y96 PolarHBondContact O-N 3.49Å; E93-Y96 VanDerWaalsContact O-N 3.08Å; L94-Y96 VanDerWaalsContact C-N 3.28Å; Y96-T318 WeakPolarHBondContact O-CB 3.21Å; Y96-T318 PolarHBondContact O-OG1 3.26Å; Y96-V323 HydrophobicContact CE1-CG2 4.49Å
97	T	82.6	Confident	86.2	Confident	7 Å²	7	38.8 Å²	38.8	4%	0.043	21%	0.207	C	C	.	.	S	Bend	trans	-136.1	168	-176	-170	0	0	0	0	111	A92 L95 K101 L102 L321	A92-T97 CarbonylContact C-O 3.58Å; A92-T97 VanDerWaalsContact C-O 3.31Å; A92-T97 HydrophobicContact CB-CG2 4.27Å; A92-T97 WeakPolarHBondContact CB-O 3.5Å; A92-T97 PolarHBondContact O-N 3.2Å; A92-T97 VanDerWaalsContact O-O 3.06Å; L95-T97 HydrophobicContact CB-CG2 3.91Å; L95-T97 PolarHBondContact O-N 3.43Å; T97-K101 WeakPolarHBondContact OG1-CB 3.35Å; T97-L102 HydrophobicContact CG2-CD2 3.58Å; T97-L102 HydrophobicContact CG2-CG 4.35Å; T97-L321 VanDerWaalsContact C-CD1 3.46Å; T97-L321 WeakPolarHBondContact O-CD1 3.3Å
98	D	82	Confident	86.1	Confident	64 Å²	64	38.1 Å²	38.1	34%	0.342	20%	0.202	S	C	.	.			trans	-83.8	144.7	173.9	-178.5	-79.2	0	0	0	111.3	S100 K101 L102	D98-S100 VanDerWaalsContact C-N 3.27Å; D98-S100 PolarHBondContact O-N 2.86Å; D98-S100 WeakPolarHBondContact OD1-CA 3.37Å; D98-S100 WeakPolarHBondContact OD1-CB 3.33Å; D98-S100 PolarHBondContact OD1-N 2.93Å; D98-S100 PolarHBondContact OD1-OG 3.43Å; D98-K101 HydrophobicContact CB-CG 4.01Å; D98-K101 WeakPolarHBondContact O-CB 3.43Å; D98-K101 PolarHBondContact O-N 2.91Å; D98-L102 PolarHBondContact O-N 3.39Å
99	P	84.1	Confident	86.1	Confident	41 Å²	41	40 Å²	40	27%	0.266	21%	0.212	S	C	.	.	H	α-helix	trans	-56.8	-33.7	178.5	-25.7	33.9	0	0	0	114.6	D89 A92 K101 L102	D89-P99 WeakPolarHBondContact OD1-CG 3.27Å; A92-P99 HydrophobicContact CB-CB 4.16Å; A92-P99 HydrophobicContact CB-CG 3.69Å; P99-K101 VanDerWaalsContact C-N 3.28Å; P99-K101 PolarHBondContact O-N 2.96Å; P99-L102 WeakPolarHBondContact O-CB 3.28Å; P99-L102 PolarHBondContact O-N 3.34Å
100	S	83.9	Confident	86.1	Confident	69 Å²	69	37.7 Å²	37.7	48%	0.483	20%	0.201	S	C	.	.	H	α-helix	trans	-65.2	-32.7	175.2	68.9	0	0	0	0	112.2	D98 L102 Q103 E104	D98-S100 VanDerWaalsContact C-N 3.27Å; D98-S100 PolarHBondContact O-N 2.86Å; D98-S100 WeakPolarHBondContact OD1-CA 3.37Å; D98-S100 WeakPolarHBondContact OD1-CB 3.33Å; D98-S100 PolarHBondContact OD1-N 2.93Å; D98-S100 PolarHBondContact OD1-OG 3.43Å; S100-L102 VanDerWaalsContact C-N 3.28Å; S100-L102 PolarHBondContact O-N 3.12Å; S100-Q103 PolarHBondContact O-N 3.21Å; S100-Q103 VanDerWaalsContact O-N 3.12Å; S100-E104 PolarHBondContact O-N 2.85Å
101	K	85.9	Confident	86.1	Confident	44 Å²	44	41.7 Å²	41.7	19%	0.191	23%	0.229	C	C	.	.	H	α-helix	trans	-70.5	-23.5	178.4	-62.9	-71.9	167.7	-172.3	0	112.7	T97 D98 P99 Q103 E104 M105 L311	T97-K101 WeakPolarHBondContact OG1-CB 3.35Å; D98-K101 HydrophobicContact CB-CG 4.01Å; D98-K101 WeakPolarHBondContact O-CB 3.43Å; D98-K101 PolarHBondContact O-N 2.91Å; P99-K101 VanDerWaalsContact C-N 3.28Å; P99-K101 PolarHBondContact O-N 2.96Å; K101-Q103 VanDerWaalsContact C-N 3.34Å; K101-E104 WeakPolarHBondContact CD-OE2 3.42Å; K101-E104 WeakPolarHBondContact CE-OE2 3.48Å; K101-E104 VanDerWaalsContact NZ-CD 3.3Å; K101-E104 IonicContact NZ-OE1 2.72Å; K101-E104 PolarHBondContact NZ-OE1 3.44Å; K101-E104 VanDerWaalsContact NZ-OE1 3.17Å; K101-E104 IonicContact NZ-OE2 2.83Å; K101-E104 PolarHBondContact NZ-OE2 3.41Å; K101-M105 VanDerWaalsContact O-CB 3.28Å; K101-M105 WeakPolarHBondContact O-CB 3.4Å; K101-M105 PolarHBondContact O-N 3.38Å; K101-L311 HydrophobicContact CB-CD2 4.24Å; K101-L311 HydrophobicContact CD-CD2 4.04Å
102	L	87.5	Confident	86.2	Confident	0 Å²	0	42.4 Å²	42.4	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-63.7	-40.1	169.4	-58.2	-174.8	0	0	0	111.6	D88 I91 A92 L95 T97 D98 P99 S100 M106 L593	D88-L102 HydrophobicContact CB-CD1 4.38Å; D88-L102 WeakPolarHBondContact O-CD1 3.38Å; I91-L102 HydrophobicContact CB-CD1 4.12Å; I91-L102 HydrophobicContact CG2-CD1 3.84Å; I91-L102 HydrophobicContact CG2-CD2 4.38Å; A92-L102 HydrophobicContact CB-CD1 3.93Å; A92-L102 HydrophobicContact CB-CG 4.29Å; L95-L102 HydrophobicContact CD1-CD2 4.31Å; T97-L102 HydrophobicContact CG2-CD2 3.58Å; T97-L102 HydrophobicContact CG2-CG 4.35Å; D98-L102 PolarHBondContact O-N 3.39Å; P99-L102 WeakPolarHBondContact O-CB 3.28Å; P99-L102 PolarHBondContact O-N 3.34Å; S100-L102 VanDerWaalsContact C-N 3.28Å; S100-L102 PolarHBondContact O-N 3.12Å; L102-M106 PolarHBondContact O-N 3.03Å; L102-L593 HydrophobicContact CB-CD2 4.01Å; L102-L593 HydrophobicContact CD1-CD1 4.39Å; L102-L593 HydrophobicContact CD2-CD1 3.91Å; L102-L593 HydrophobicContact CD2-CD2 4.07Å; L102-L593 WeakPolarHBondContact O-CD2 3.45Å
103	Q	85.7	Confident	86.1	Confident	99 Å²	99	42.3 Å²	42.3	46%	0.463	23%	0.233	S	C	.	.	H	α-helix	trans	-72.2	-42.6	176.3	-56.6	-63.1	2.1	0	0	111.7	D88 S100 K101 M105 M106 S107	D88-Q103 PolarHBondContact OD2-NE2 3.3Å; S100-Q103 PolarHBondContact O-N 3.21Å; S100-Q103 VanDerWaalsContact O-N 3.12Å; K101-Q103 VanDerWaalsContact C-N 3.34Å; Q103-M105 VanDerWaalsContact C-N 3.3Å; Q103-M105 PolarHBondContact O-N 3.27Å; Q103-M106 CarbonylContact O-C 3.35Å; Q103-M106 PolarHBondContact O-N 3.08Å; Q103-S107 WeakPolarHBondContact O-CB 3.47Å; Q103-S107 PolarHBondContact O-N 3.24Å
104	E	86.4	Confident	86.2	Confident	51 Å²	51	43.3 Å²	43.3	24%	0.238	24%	0.239	C	C	.	.	H	α-helix	trans	-57.8	-43.4	175.7	-174	175.8	148.4	0	0	111.1	S100 K101 M106 S107 V108 L311	S100-E104 PolarHBondContact O-N 2.85Å; K101-E104 WeakPolarHBondContact CD-OE2 3.42Å; K101-E104 WeakPolarHBondContact CE-OE2 3.48Å; K101-E104 VanDerWaalsContact NZ-CD 3.3Å; K101-E104 IonicContact NZ-OE1 2.72Å; K101-E104 PolarHBondContact NZ-OE1 3.44Å; K101-E104 VanDerWaalsContact NZ-OE1 3.17Å; K101-E104 IonicContact NZ-OE2 2.83Å; K101-E104 PolarHBondContact NZ-OE2 3.41Å; E104-M106 PolarHBondContact O-N 3.46Å; E104-S107 WeakPolarHBondContact CA-OG 3.3Å; E104-S107 WeakPolarHBondContact O-CA 3.2Å; E104-S107 WeakPolarHBondContact O-CB 3.35Å; E104-S107 PolarHBondContact O-N 3.11Å; E104-S107 PolarHBondContact O-OG 2.59Å; E104-V108 PolarHBondContact O-N 3.01Å; E104-L311 HydrophobicContact CB-CD2 4Å; E104-L311 HydrophobicContact CG-CD2 3.91Å; E104-L311 HydrophobicContact CG-CG 4.25Å
105	M	87.4	Confident	86.4	Confident	4 Å²	4	48.2 Å²	48.2	2%	0.02	26%	0.257	C	S	.	.	H	α-helix	trans	-61.1	-42.7	175.1	-167.5	179.9	-47.9	0	0	113.1	K101 Q103 S107 V108 L311 F373 W377 Q590 L593	K101-M105 VanDerWaalsContact O-CB 3.28Å; K101-M105 WeakPolarHBondContact O-CB 3.4Å; K101-M105 PolarHBondContact O-N 3.38Å; Q103-M105 VanDerWaalsContact C-N 3.3Å; Q103-M105 PolarHBondContact O-N 3.27Å; M105-S107 PolarHBondContact O-N 3.1Å; M105-V108 PolarHBondContact O-N 3.47Å; M105-L311 HydrophobicContact CB-CD1 4.18Å; M105-L311 HydrophobicContact CB-CD2 4.16Å; M105-L311 HydrophobicContact CG-CD1 4.41Å; M105-F373 HydrophobicContact CE-CE2 4.5Å; M105-F373 HydrophobicContact CE-CZ 3.88Å; M105-F373 HydrophobicContact SD-CE2 3.65Å; M105-F373 HydrophobicContact SD-CZ 3.58Å; M105-F373 VanDerWaalsContact SD-CZ 3.58Å; M105-W377 HydrophobicContact CE-CH2 4Å; M105-W377 HydrophobicContact CE-CZ2 3.33Å; M105-W377 HydrophobicContact SD-CZ2 3.69Å; M105-Q590 WeakPolarHBondContact O-CG 3.43Å; M105-Q590 PolarHBondContact O-NE2 3.49Å; M105-L593 HydrophobicContact CB-CD2 4.41Å; M105-L593 HydrophobicContact SD-CD2 4.16Å
106	M	85.6	Confident	86.7	Confident	64 Å²	64	48.2 Å²	48.2	32%	0.315	26%	0.257	S	S	.	.	H	α-helix	trans	-70.3	-16.9	173.4	-74.4	-167.5	59.7	0	0	113.7	L102 Q103 E104 L593 Q594 R597	L102-M106 PolarHBondContact O-N 3.03Å; Q103-M106 CarbonylContact O-C 3.35Å; Q103-M106 PolarHBondContact O-N 3.08Å; E104-M106 PolarHBondContact O-N 3.46Å; M106-L593 HydrophobicContact CG-CD2 3.96Å; M106-L593 HydrophobicContact CG-CG 4.4Å; M106-L593 HydrophobicContact SD-CD2 4.49Å; M106-L593 HydrophobicContact SD-CG 4.4Å; M106-Q594 HydrophobicContact CE-CB 4.38Å; M106-Q594 HydrophobicContact CE-CG 4.42Å; M106-R597 PolarHBondContact SD-NH1 3.06Å
107	S	86.9	Confident	87	Confident	87 Å²	87	42.9 Å²	42.9	61%	0.608	24%	0.236	S	C	*	.	H	α-helix	trans	-88	-13.5	177.9	78.5	0	0	0	0	114.3	Q103 E104 M105 N109	Q103-S107 WeakPolarHBondContact O-CB 3.47Å; Q103-S107 PolarHBondContact O-N 3.24Å; E104-S107 WeakPolarHBondContact CA-OG 3.3Å; E104-S107 WeakPolarHBondContact O-CA 3.2Å; E104-S107 WeakPolarHBondContact O-CB 3.35Å; E104-S107 PolarHBondContact O-N 3.11Å; E104-S107 PolarHBondContact O-OG 2.59Å; M105-S107 PolarHBondContact O-N 3.1Å; S107-N109 PolarHBondContact O-N 2.97Å
108	V	87.4	Confident	87.4	Confident	8 Å²	8	46.4 Å²	46.4	5%	0.048	26%	0.255	C	S	.	.	S	Bend	trans	-55.6	123.7	175.7	173	0	0	0	0	109.3	E104 M105 S110 I308 L311 I586 Q590	E104-V108 PolarHBondContact O-N 3.01Å; M105-V108 PolarHBondContact O-N 3.47Å; V108-S110 PolarHBondContact O-N 2.94Å; V108-I308 HydrophobicContact CG1-CD1 4.25Å; V108-I308 HydrophobicContact CG1-CG1 4.09Å; V108-L311 HydrophobicContact CG2-CD1 3.67Å; V108-I586 HydrophobicContact CG1-CG2 4.35Å; V108-I586 HydrophobicContact CG2-CG2 4.25Å; V108-Q590 PolarHBondContact O-NE2 3.23Å
109	N	89.3	Confident	87.8	Confident	82 Å²	82	44.2 Å²	44.2	44%	0.439	25%	0.247	S	C	.	.			trans	-78.8	91.5	179.1	-176.6	-24.6	0	0	0	109.4	S107 S111 V112 A113 N304	S107-N109 PolarHBondContact O-N 2.97Å; N109-S111 PolarHBondContact O-N 2.85Å; N109-S111 WeakPolarHBondContact OD1-CB 3.43Å; N109-S111 PolarHBondContact OD1-N 3.22Å; N109-V112 HydrophobicContact CB-CB 4.12Å; N109-V112 HydrophobicContact CB-CG2 4.24Å; N109-V112 VanDerWaalsContact CG-CG2 3.49Å; N109-V112 WeakPolarHBondContact ND2-CG2 3.19Å; N109-V112 WeakPolarHBondContact O-CB 3.37Å; N109-V112 PolarHBondContact O-N 3.49Å; N109-V112 VanDerWaalsContact O-N 3.1Å; N109-V112 PolarHBondContact OD1-N 3.41Å; N109-A113 PolarHBondContact O-N 2.93Å; N109-N304 PolarHBondContact O-ND2 3.06Å
110	S	87.6	Confident	88	Confident	18 Å²	18	42.3 Å²	42.3	13%	0.126	23%	0.234	C	C	.	.	H	α-helix	trans	-64.7	-23.5	-178.3	-70	0	0	0	0	114.5	V108 N114 T587 Q590	V108-S110 PolarHBondContact O-N 2.94Å; S110-N114 VanDerWaalsContact O-CB 3.3Å; S110-N114 WeakPolarHBondContact O-CB 3.39Å; S110-N114 VanDerWaalsContact O-CG 3.25Å; S110-N114 PolarHBondContact O-N 2.89Å; S110-N114 PolarHBondContact O-ND2 3.05Å; S110-N114 VanDerWaalsContact O-ND2 3.1Å; S110-T587 WeakPolarHBondContact OG-CG2 3.46Å; S110-T587 PolarHBondContact OG-OG1 3.43Å; S110-Q590 PolarHBondContact OG-OE1 3.04Å; S110-Q590 VanDerWaalsContact OG-OE1 3.1Å
111	S	89.7	Confident	88.3	Confident	83 Å²	83	43.3 Å²	43.3	58%	0.58	23%	0.234	S	C	*	.	H	α-helix	trans	-65.7	-46.8	170.4	180	0	0	0	0	110.5	N109 R115	N109-S111 PolarHBondContact O-N 2.85Å; N109-S111 WeakPolarHBondContact OD1-CB 3.43Å; N109-S111 PolarHBondContact OD1-N 3.22Å; S111-R115 VanDerWaalsContact O-CG 3.32Å; S111-R115 WeakPolarHBondContact O-CG 3.37Å; S111-R115 PolarHBondContact O-N 3.22Å; S111-R115 VanDerWaalsContact O-N 3.08Å
112	V	90.3	Very high	88.6	Confident	16 Å²	16	44.8 Å²	44.8	10%	0.097	25%	0.247	C	C	.	.	H	α-helix	trans	-63.9	-46.8	174.7	172.1	0	0	0	0	110.6	N109 N114 R115 I116 F301 N304	N109-V112 HydrophobicContact CB-CB 4.12Å; N109-V112 HydrophobicContact CB-CG2 4.24Å; N109-V112 VanDerWaalsContact CG-CG2 3.49Å; N109-V112 WeakPolarHBondContact ND2-CG2 3.19Å; N109-V112 WeakPolarHBondContact O-CB 3.37Å; N109-V112 PolarHBondContact O-N 3.49Å; N109-V112 VanDerWaalsContact O-N 3.1Å; N109-V112 PolarHBondContact OD1-N 3.41Å; V112-N114 PolarHBondContact O-N 3.34Å; V112-R115 WeakPolarHBondContact O-CB 3.26Å; V112-R115 PolarHBondContact O-N 2.72Å; V112-R115 VanDerWaalsContact O-N 3.09Å; V112-I116 WeakPolarHBondContact O-CG1 3.21Å; V112-I116 PolarHBondContact O-N 3.45Å; V112-I116 VanDerWaalsContact O-N 3.12Å; V112-F301 HydrophobicContact CG1-CD1 3.71Å; V112-F301 HydrophobicContact CG1-CE1 4.12Å; V112-N304 HydrophobicContact CG1-CB 4.07Å
113	A	87.2	Confident	88.8	Confident	0 Å²	0	45.2 Å²	45.2	0%	0	25%	0.25	C	C	.	.	H	α-helix	trans	-59.3	-44.6	-179.1	0	0	0	0	0	112.6	N109 R115 I116 T117 I308 V583	N109-A113 PolarHBondContact O-N 2.93Å; A113-R115 PolarHBondContact O-N 3.19Å; A113-I116 WeakPolarHBondContact O-CB 3.23Å; A113-I116 PolarHBondContact O-N 3.2Å; A113-T117 PolarHBondContact O-N 3.42Å; A113-I308 HydrophobicContact CB-CD1 4.19Å; A113-V583 HydrophobicContact CB-CG1 3.73Å
114	N	88	Confident	89	Confident	48 Å²	48	42.7 Å²	42.7	26%	0.257	24%	0.236	S	C	.	.	H	α-helix	trans	-67.1	-33.1	175.6	-73	-31.7	0	0	0	112.9	S110 V112 I116 T117 N118	S110-N114 VanDerWaalsContact O-CB 3.3Å; S110-N114 WeakPolarHBondContact O-CB 3.39Å; S110-N114 VanDerWaalsContact O-CG 3.25Å; S110-N114 PolarHBondContact O-N 2.89Å; S110-N114 PolarHBondContact O-ND2 3.05Å; S110-N114 VanDerWaalsContact O-ND2 3.1Å; V112-N114 PolarHBondContact O-N 3.34Å; N114-I116 VanDerWaalsContact C-N 3.28Å; N114-I116 PolarHBondContact O-N 3.14Å; N114-T117 PolarHBondContact O-N 2.88Å; N114-T117 PolarHBondContact O-OG1 2.93Å; N114-N118 VanDerWaalsContact O-CB 3.31Å; N114-N118 WeakPolarHBondContact O-CB 3.39Å; N114-N118 PolarHBondContact O-N 3.48Å; N114-N118 PolarHBondContact O-ND2 3.34Å; N114-N118 PolarHBondContact O-OD1 3.32Å
115	R	90.7	Very high	89.2	Confident	113 Å²	113	42.9 Å²	42.9	43%	0.426	24%	0.243	S	C	.	.	H	α-helix	trans	-63.1	-34.1	173.1	-76.3	179.3	73.9	-135.4	-3.7	112.1	S111 V112 A113 G119 D297 F301	S111-R115 VanDerWaalsContact O-CG 3.32Å; S111-R115 WeakPolarHBondContact O-CG 3.37Å; S111-R115 PolarHBondContact O-N 3.22Å; S111-R115 VanDerWaalsContact O-N 3.08Å; V112-R115 WeakPolarHBondContact O-CB 3.26Å; V112-R115 PolarHBondContact O-N 2.72Å; V112-R115 VanDerWaalsContact O-N 3.09Å; A113-R115 PolarHBondContact O-N 3.19Å; R115-G119 PolarHBondContact O-N 2.69Å; R115-D297 IonicContact CZ-OD2 2.68Å; R115-D297 IonicContact NH1-OD2 3.8Å; R115-D297 PolarHBondContact NH1-OD2 3.11Å; R115-D297 IonicContact NH2-OD2 3.91Å; R115-D297 PolarHBondContact NH2-OD2 3.17Å; R115-F301 HydrophobicContact CB-CE1 4.04Å; R115-F301 HydrophobicContact CB-CZ 4.24Å
116	I	89.8	Confident	89.4	Confident	0 Å²	0	45.2 Å²	45.2	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-59.5	-58.7	175.6	-58.2	169	0	0	0	109.8	V112 A113 N114 N118 F120 F301 N304 L305 M392 L396	V112-I116 WeakPolarHBondContact O-CG1 3.21Å; V112-I116 PolarHBondContact O-N 3.45Å; V112-I116 VanDerWaalsContact O-N 3.12Å; A113-I116 WeakPolarHBondContact O-CB 3.23Å; A113-I116 PolarHBondContact O-N 3.2Å; N114-I116 VanDerWaalsContact C-N 3.28Å; N114-I116 PolarHBondContact O-N 3.14Å; I116-N118 PolarHBondContact O-N 3.04Å; I116-F120 HydrophobicContact CG2-CD2 3.91Å; I116-F120 HydrophobicContact CG2-CE2 4.18Å; I116-F120 WeakPolarHBondContact O-CB 3.46Å; I116-F120 WeakPolarHBondContact O-CD2 3.47Å; I116-F120 PolarHBondContact O-N 2.99Å; I116-F301 HydrophobicContact CD1-CB 3.75Å; I116-F301 HydrophobicContact CD1-CD1 4.06Å; I116-F301 HydrophobicContact CD1-CG 4.16Å; I116-F301 WeakPolarHBondContact CD1-O 3.28Å; I116-F301 HydrophobicContact CG1-CB 3.62Å; I116-F301 HydrophobicContact CG1-CD1 3.37Å; I116-F301 HydrophobicContact CG1-CD2 4.26Å; I116-F301 HydrophobicContact CG1-CE1 4.04Å; I116-F301 HydrophobicContact CG1-CG 3.5Å; I116-N304 HydrophobicContact CD1-CB 4.37Å; I116-L305 HydrophobicContact CD1-CD2 3.53Å; I116-L305 HydrophobicContact CD1-CG 3.78Å; I116-L305 HydrophobicContact CG2-CD1 4.34Å; I116-L305 HydrophobicContact CG2-CD2 4.46Å; I116-M392 HydrophobicContact CG2-CG 4.47Å; I116-L396 HydrophobicContact CG2-CD1 4.29Å
117	T	89.4	Confident	89.7	Confident	2 Å²	2	42.2 Å²	42.2	1%	0.012	24%	0.241	C	C	.	.	H	α-helix	trans	-65.1	-42	-173.4	55.3	0	0	0	0	111.5	A113 N114 D121 T579 K580 V583	A113-T117 PolarHBondContact O-N 3.42Å; N114-T117 PolarHBondContact O-N 2.88Å; N114-T117 PolarHBondContact O-OG1 2.93Å; T117-D121 VanDerWaalsContact O-CB 3.29Å; T117-D121 WeakPolarHBondContact O-CB 3.36Å; T117-D121 PolarHBondContact O-N 3.32Å; T117-T579 HydrophobicContact CG2-CG2 4.46Å; T117-K580 HydrophobicContact CG2-CB 4.09Å; T117-V583 HydrophobicContact CG2-CB 3.91Å; T117-V583 HydrophobicContact CG2-CG1 4.13Å; T117-V583 HydrophobicContact CG2-CG2 3.79Å
118	N	90.8	Very high	89.8	Confident	82 Å²	82	39.9 Å²	39.9	44%	0.439	23%	0.225	S	C	.	.	H	α-helix	trans	-72.9	-41.1	-176.7	-61.9	-0.9	0	0	0	111.4	N114 I116 D121 T122	N114-N118 VanDerWaalsContact O-CB 3.31Å; N114-N118 WeakPolarHBondContact O-CB 3.39Å; N114-N118 PolarHBondContact O-N 3.48Å; N114-N118 PolarHBondContact O-ND2 3.34Å; N114-N118 PolarHBondContact O-OD1 3.32Å; I116-N118 PolarHBondContact O-N 3.04Å; N118-D121 PolarHBondContact O-N 3.49Å; N118-T122 PolarHBondContact O-N 2.84Å; N118-T122 PolarHBondContact O-OG1 3.06Å
119	G	90	Very high	89.9	Confident	17 Å²	17	43.4 Å²	43.4	18%	0.175	25%	0.249	C	C	.	.	H	α-helix	trans	-71.4	-35.8	178	0	0	0	0	0	113	R115 T122 I123	R115-G119 PolarHBondContact O-N 2.69Å; G119-T122 PolarHBondContact O-N 2.8Å; G119-I123 WeakPolarHBondContact O-CB 3.44Å; G119-I123 WeakPolarHBondContact O-CG1 3.15Å; G119-I123 PolarHBondContact O-N 3Å
120	F	89.4	Confident	90	Very high	1 Å²	1	39.7 Å²	39.7	0%	0.004	23%	0.23	C	C	.	.	H	α-helix	trans	-63.2	-42.5	169	-96.4	-78.8	0	0	0	112.3	I116 I123 Y124 F294 M392 M395 L396 M399 F568	I116-F120 HydrophobicContact CG2-CD2 3.91Å; I116-F120 HydrophobicContact CG2-CE2 4.18Å; I116-F120 WeakPolarHBondContact O-CB 3.46Å; I116-F120 WeakPolarHBondContact O-CD2 3.47Å; I116-F120 PolarHBondContact O-N 2.99Å; F120-I123 PolarHBondContact O-N 3.18Å; F120-Y124 WeakPolarHBondContact O-CB 3.42Å; F120-Y124 PolarHBondContact O-N 3.46Å; F120-F294 AromaticContact CD2-CE1 3.8Å; F120-F294 HydrophobicContact CD2-CE1 3.8Å; F120-F294 AromaticContact CD2-CZ 3.47Å; F120-F294 HydrophobicContact CD2-CZ 3.47Å; F120-F294 VanDerWaalsContact CD2-CZ 3.47Å; F120-F294 AromaticContact CE2-CE1 3.6Å; F120-F294 HydrophobicContact CE2-CE1 3.6Å; F120-F294 AromaticContact CE2-CZ 3.71Å; F120-F294 HydrophobicContact CE2-CZ 3.71Å; F120-F294 HydrophobicContact CG-CE1 4.5Å; F120-F294 HydrophobicContact CG-CZ 4.24Å; F120-F294 HydrophobicContact CZ-CE1 4.15Å; F120-M392 HydrophobicContact CB-CE 4.1Å; F120-M392 HydrophobicContact CB-SD 4.11Å; F120-M392 HydrophobicContact CD1-CE 4.4Å; F120-M392 HydrophobicContact CD1-SD 3.53Å; F120-M392 VanDerWaalsContact CD1-SD 3.53Å; F120-M392 HydrophobicContact CD2-CE 4.3Å; F120-M392 HydrophobicContact CD2-CG 4.28Å; F120-M392 HydrophobicContact CD2-SD 3.34Å; F120-M392 WeakPolarHBondContact CD2-SD 3.27Å; F120-M392 HydrophobicContact CE1-SD 3.65Å; F120-M392 HydrophobicContact CE2-CG 4.12Å; F120-M392 HydrophobicContact CE2-SD 3.46Å; F120-M392 WeakPolarHBondContact CE2-SD 3.42Å; F120-M392 HydrophobicContact CG-CE 4.04Å; F120-M392 HydrophobicContact CG-SD 3.38Å; F120-M392 WeakPolarHBondContact CG-SD 3.44Å; F120-M392 HydrophobicContact CZ-SD 3.62Å; F120-M395 HydrophobicContact CE1-CB 3.82Å; F120-M395 HydrophobicContact CZ-CB 3.83Å; F120-L396 HydrophobicContact CE2-CD1 4.44Å; F120-L396 HydrophobicContact CE2-CD2 3.56Å; F120-L396 HydrophobicContact CE2-CG 3.69Å; F120-L396 HydrophobicContact CZ-CD2 4Å; F120-L396 HydrophobicContact CZ-CG 3.98Å; F120-M399 HydrophobicContact CE1-SD 3.97Å; F120-M399 HydrophobicContact CE2-SD 4.39Å; F120-M399 HydrophobicContact CZ-SD 3.66Å; F120-F568 AromaticContact CD1-CE1 3.84Å; F120-F568 HydrophobicContact CD1-CE1 3.84Å; F120-F568 AromaticContact CE1-CE1 3.62Å; F120-F568 HydrophobicContact CE1-CE1 3.62Å; F120-F568 HydrophobicContact CE1-CZ 4.26Å
121	D	90.4	Very high	90.3	Very high	90 Å²	90	42 Å²	42	48%	0.481	25%	0.245	S	C	.	.	H	α-helix	trans	-62.6	-43.9	177.8	-165.6	53.9	0	0	0	111.3	T117 N118 S125 I576	T117-D121 VanDerWaalsContact O-CB 3.29Å; T117-D121 WeakPolarHBondContact O-CB 3.36Å; T117-D121 PolarHBondContact O-N 3.32Å; N118-D121 PolarHBondContact O-N 3.49Å; D121-S125 WeakPolarHBondContact O-CB 3.41Å; D121-S125 PolarHBondContact O-N 3.33Å; D121-I576 HydrophobicContact CB-CG2 3.93Å
122	T	91.4	Very high	90.3	Very high	76 Å²	76	44 Å²	44	47%	0.466	25%	0.249	S	C	.	.	H	α-helix	trans	-60.3	-55.8	173	-56.8	0	0	0	0	111.9	N118 G119 Y124 S125 D126	N118-T122 PolarHBondContact O-N 2.84Å; N118-T122 PolarHBondContact O-OG1 3.06Å; G119-T122 PolarHBondContact O-N 2.8Å; T122-Y124 VanDerWaalsContact C-N 3.34Å; T122-Y124 PolarHBondContact O-N 3.39Å; T122-S125 WeakPolarHBondContact O-CB 3.3Å; T122-S125 PolarHBondContact O-N 3.33Å; T122-D126 WeakPolarHBondContact O-CB 3.47Å; T122-D126 VanDerWaalsContact O-CG 3.23Å; T122-D126 PolarHBondContact O-N 3.37Å
123	I	91.3	Very high	90.4	Very high	9 Å²	9	45.1 Å²	45.1	5%	0.046	25%	0.254	C	S	.	.	H	α-helix	trans	-59.3	-44.2	-179.2	-74.4	169.8	0	0	0	111.6	G119 F120 D126 I127 V291 F294 M399 F568	G119-I123 WeakPolarHBondContact O-CB 3.44Å; G119-I123 WeakPolarHBondContact O-CG1 3.15Å; G119-I123 PolarHBondContact O-N 3Å; F120-I123 PolarHBondContact O-N 3.18Å; I123-D126 PolarHBondContact O-N 3.37Å; I123-I127 HydrophobicContact CG2-CD1 3.58Å; I123-I127 HydrophobicContact CG2-CG1 4.39Å; I123-I127 VanDerWaalsContact O-CB 3.31Å; I123-I127 WeakPolarHBondContact O-CB 3.27Å; I123-I127 VanDerWaalsContact O-CG1 3.25Å; I123-I127 WeakPolarHBondContact O-CG1 3.31Å; I123-I127 PolarHBondContact O-N 3.36Å; I123-V291 HydrophobicContact CD1-CG2 4.29Å; I123-V291 HydrophobicContact CG1-CG2 4.3Å; I123-V291 HydrophobicContact CG2-CG2 3.72Å; I123-F294 HydrophobicContact CD1-CB 3.42Å; I123-F294 VanDerWaalsContact CD1-CB 3.42Å; I123-F294 HydrophobicContact CD1-CD1 3.92Å; I123-F294 HydrophobicContact CD1-CD2 4Å; I123-F294 HydrophobicContact CD1-CG 3.51Å; I123-M399 HydrophobicContact CD1-CE 4.26Å; I123-F568 HydrophobicContact CG2-CD1 4.17Å; I123-F568 HydrophobicContact CG2-CE1 3.77Å; I123-F568 HydrophobicContact CG2-CE2 4.34Å; I123-F568 HydrophobicContact CG2-CZ 3.88Å
124	Y	90.9	Very high	90.6	Very high	46 Å²	46	45.1 Å²	45.1	18%	0.18	25%	0.254	C	S	.	.	H	α-helix	trans	-64	-44.7	177.5	173.3	-91.2	0	0	0	111.6	F120 T122 S128 I571 I576	F120-Y124 WeakPolarHBondContact O-CB 3.42Å; F120-Y124 PolarHBondContact O-N 3.46Å; T122-Y124 VanDerWaalsContact C-N 3.34Å; T122-Y124 PolarHBondContact O-N 3.39Å; Y124-S128 WeakPolarHBondContact O-CB 3.46Å; Y124-S128 PolarHBondContact O-N 2.99Å; Y124-S128 PolarHBondContact O-OG 2.84Å; Y124-I571 WeakPolarHBondContact CE2-O 3.5Å; Y124-I576 VanDerWaalsContact CB-CD1 3.41Å; Y124-I576 HydrophobicContact CD1-CD1 3.69Å; Y124-I576 HydrophobicContact CD2-CD1 3.94Å; Y124-I576 HydrophobicContact CE1-CD1 4.48Å; Y124-I576 HydrophobicContact CG-CD1 3.39Å
125	S	90.4	Very high	90.8	Very high	55 Å²	55	45.5 Å²	45.5	39%	0.385	25%	0.254	S	S	.	.	H	α-helix	trans	-57.5	-51.3	175.3	172.2	0	0	0	0	110.7	D121 T122 S128 S129	D121-S125 WeakPolarHBondContact O-CB 3.41Å; D121-S125 PolarHBondContact O-N 3.33Å; T122-S125 WeakPolarHBondContact O-CB 3.3Å; T122-S125 PolarHBondContact O-N 3.33Å; S125-S128 PolarHBondContact O-N 2.88Å; S125-S129 WeakPolarHBondContact O-CB 3.45Å; S125-S129 PolarHBondContact O-N 3.32Å; S125-S129 PolarHBondContact O-OG 2.85Å
126	D	91.5	Very high	90.8	Very high	53 Å²	53	42.6 Å²	42.6	28%	0.283	25%	0.246	S	C	.	.	H	α-helix	trans	-69.4	-42	-173.1	-65.1	-10.6	0	0	0	111.4	T122 I123 S128 A130 L287	T122-D126 WeakPolarHBondContact O-CB 3.47Å; T122-D126 VanDerWaalsContact O-CG 3.23Å; T122-D126 PolarHBondContact O-N 3.37Å; I123-D126 PolarHBondContact O-N 3.37Å; D126-S128 PolarHBondContact O-N 3.17Å; D126-A130 WeakPolarHBondContact O-CB 3.2Å; D126-A130 PolarHBondContact O-N 3.05Å; D126-L287 HydrophobicContact CB-CD2 3.58Å
127	I	91.5	Very high	90.9	Very high	1 Å²	1	42.6 Å²	42.6	1%	0.005	25%	0.246	C	C	.	.	H	α-helix	trans	-66.3	-35.9	174.1	-68.7	173.4	0	0	0	112.2	I123 A130 V291 F565 F568 R569	I123-I127 HydrophobicContact CG2-CD1 3.58Å; I123-I127 HydrophobicContact CG2-CG1 4.39Å; I123-I127 VanDerWaalsContact O-CB 3.31Å; I123-I127 WeakPolarHBondContact O-CB 3.27Å; I123-I127 VanDerWaalsContact O-CG1 3.25Å; I123-I127 WeakPolarHBondContact O-CG1 3.31Å; I123-I127 PolarHBondContact O-N 3.36Å; I127-A130 WeakPolarHBondContact O-CB 3.42Å; I127-V291 HydrophobicContact CD1-CG2 4.04Å; I127-F565 HydrophobicContact CD1-CD1 3.69Å; I127-F565 HydrophobicContact CD1-CE1 3.8Å; I127-F565 HydrophobicContact CD1-CG 4.08Å; I127-F565 HydrophobicContact CD1-CZ 4.26Å; I127-F565 HydrophobicContact CG1-CD1 4.31Å; I127-F565 HydrophobicContact CG1-CD2 4.3Å; I127-F565 HydrophobicContact CG1-CE1 4.25Å; I127-F565 HydrophobicContact CG1-CE2 4.23Å; I127-F565 HydrophobicContact CG1-CG 4.34Å; I127-F565 HydrophobicContact CG1-CZ 4.19Å; I127-F565 HydrophobicContact CG2-CB 4.25Å; I127-F565 HydrophobicContact CG2-CD2 4.29Å; I127-F565 HydrophobicContact CG2-CG 4.23Å; I127-F568 HydrophobicContact CD1-CB 4.12Å; I127-F568 HydrophobicContact CD1-CD2 3.78Å; I127-F568 HydrophobicContact CD1-CE2 4.37Å; I127-F568 HydrophobicContact CD1-CG 3.95Å; I127-F568 HydrophobicContact CG2-CB 4.31Å; I127-R569 HydrophobicContact CG2-CG 3.77Å; I127-R569 PolarHBondContact O-NE 2.96Å; I127-R569 PolarHBondContact O-NH2 3Å
128	S	88.6	Confident	91.1	Very high	38 Å²	38	43.2 Å²	43.2	27%	0.266	25%	0.249	S	C	.	.	H	α-helix	trans	-78.9	-44.6	-177.3	-61.3	0	0	0	0	112.1	Y124 S125 D126 A130 K135	Y124-S128 WeakPolarHBondContact O-CB 3.46Å; Y124-S128 PolarHBondContact O-N 2.99Å; Y124-S128 PolarHBondContact O-OG 2.84Å; S125-S128 PolarHBondContact O-N 2.88Å; D126-S128 PolarHBondContact O-N 3.17Å; S128-A130 VanDerWaalsContact C-N 3.29Å; S128-K135 PolarHBondContact O-NZ 2.93Å
129	S	89.6	Confident	91.2	Very high	81 Å²	81	45.9 Å²	45.9	57%	0.566	26%	0.256	S	S	*	.	H	α-helix	trans	-77.2	-12.2	178.2	68	0	0	0	0	113.8	S125	S125-S129 WeakPolarHBondContact O-CB 3.45Å; S125-S129 PolarHBondContact O-N 3.32Å; S125-S129 PolarHBondContact O-OG 2.85Å
130	A	92.6	Very high	91.3	Very high	4 Å²	4	46.4 Å²	46.4	3%	0.033	25%	0.253	C	S	.	.			trans	-36.6	123.4	174	0	0	0	0	0	112.4	D126 I127 S128 V134 K135 L287	D126-A130 WeakPolarHBondContact O-CB 3.2Å; D126-A130 PolarHBondContact O-N 3.05Å; I127-A130 WeakPolarHBondContact O-CB 3.42Å; S128-A130 VanDerWaalsContact C-N 3.29Å; A130-V134 HydrophobicContact CB-CB 4.47Å; A130-V134 HydrophobicContact CB-CG1 4.22Å; A130-K135 WeakPolarHBondContact O-CD 3.48Å; A130-K135 WeakPolarHBondContact O-CE 3.42Å; A130-K135 PolarHBondContact O-NZ 3.45Å; A130-L287 HydrophobicContact CB-CD1 4.4Å
131	P	92.4	Very high	91.4	Very high	67 Å²	67	46.4 Å²	46.4	44%	0.435	25%	0.253	S	S	.	.			trans	-61.3	162.3	-177.4	-26.6	36.1	0	0	0	113.9	N133 V134 K135	P131-N133 VanDerWaalsContact C-N 3.28Å; P131-N133 WeakPolarHBondContact CB-OD1 3.46Å; P131-N133 PolarHBondContact O-N 2.91Å; P131-V134 WeakPolarHBondContact O-CB 3.34Å; P131-V134 PolarHBondContact O-N 3.33Å; P131-V134 VanDerWaalsContact O-N 3.12Å; P131-K135 PolarHBondContact O-N 3.47Å
132	D	90.8	Very high	91.5	Very high	124 Å²	124	43.9 Å²	43.9	66%	0.663	25%	0.245	S	C	*	.	H	α-helix	trans	-64.9	-28.7	-174.6	-77.3	-23	0	0	0	113.6	K135 I136	D132-K135 PolarHBondContact O-N 3.27Å; D132-I136 WeakPolarHBondContact O-CB 3.22Å; D132-I136 WeakPolarHBondContact O-CD1 3.34Å; D132-I136 WeakPolarHBondContact O-CG1 3.45Å; D132-I136 PolarHBondContact O-N 3.49Å
133	N	90.8	Very high	91.5	Very high	40 Å²	40	40.8 Å²	40.8	21%	0.214	23%	0.226	C	C	.	.	H	α-helix	trans	-67.7	-37.9	173.4	61.3	-12.3	0	0	0	111.9	P131 I136 M137 D277 S280	P131-N133 VanDerWaalsContact C-N 3.28Å; P131-N133 WeakPolarHBondContact CB-OD1 3.46Å; P131-N133 PolarHBondContact O-N 2.91Å; N133-I136 WeakPolarHBondContact O-CB 3.37Å; N133-I136 PolarHBondContact O-N 3.19Å; N133-M137 WeakPolarHBondContact O-CB 3.39Å; N133-M137 PolarHBondContact O-N 2.84Å; N133-D277 PolarHBondContact ND2-OD1 3.06Å; N133-D277 PolarHBondContact ND2-OD2 3.13Å; N133-S280 VanDerWaalsContact CB-OG 3.26Å; N133-S280 WeakPolarHBondContact CB-OG 3.36Å; N133-S280 PolarHBondContact ND2-OG 2.55Å
134	V	93.3	Very high	91.4	Very high	1 Å²	1	40.3 Å²	40.3	1%	0.006	22%	0.224	C	C	.	.	H	α-helix	trans	-62.6	-46.4	169.4	178.6	0	0	0	0	110.9	A130 P131 I136 M137 E138 L283 L284 L287	A130-V134 HydrophobicContact CB-CB 4.47Å; A130-V134 HydrophobicContact CB-CG1 4.22Å; P131-V134 WeakPolarHBondContact O-CB 3.34Å; P131-V134 PolarHBondContact O-N 3.33Å; P131-V134 VanDerWaalsContact O-N 3.12Å; V134-I136 VanDerWaalsContact C-N 3.28Å; V134-I136 PolarHBondContact O-N 3.38Å; V134-M137 CarbonylContact O-C 3.46Å; V134-M137 WeakPolarHBondContact O-CA 3.48Å; V134-M137 WeakPolarHBondContact O-CB 3.35Å; V134-M137 PolarHBondContact O-N 3.33Å; V134-M137 VanDerWaalsContact O-N 3.07Å; V134-E138 WeakPolarHBondContact O-CG 3.45Å; V134-E138 PolarHBondContact O-N 3.25Å; V134-L283 HydrophobicContact CG2-CB 3.91Å; V134-L283 HydrophobicContact CG2-CD1 4.05Å; V134-L284 HydrophobicContact CG1-CB 4.26Å; V134-L284 HydrophobicContact CG1-CD1 4.28Å; V134-L287 HydrophobicContact CG1-CD1 4.09Å
135	K	91.4	Very high	91.4	Very high	55 Å²	55	38.9 Å²	38.9	24%	0.239	22%	0.218	C	C	.	.	H	α-helix	trans	-65.4	-27.8	176.8	-72.2	163.9	173.7	148.2	0	113.4	S128 A130 P131 D132 K139	S128-K135 PolarHBondContact O-NZ 2.93Å; A130-K135 WeakPolarHBondContact O-CD 3.48Å; A130-K135 WeakPolarHBondContact O-CE 3.42Å; A130-K135 PolarHBondContact O-NZ 3.45Å; P131-K135 PolarHBondContact O-N 3.47Å; D132-K135 PolarHBondContact O-N 3.27Å; K135-K139 WeakPolarHBondContact O-CG 3.37Å; K135-K139 PolarHBondContact O-N 2.88Å
136	I	91.4	Very high	91.4	Very high	52 Å²	52	38.7 Å²	38.7	27%	0.267	21%	0.213	S	C	.	.	H	α-helix	trans	-70.6	-45.4	169.7	-76.2	163.5	0	0	0	110	D132 N133 V134 K139 R140 G274	D132-I136 WeakPolarHBondContact O-CB 3.22Å; D132-I136 WeakPolarHBondContact O-CD1 3.34Å; D132-I136 WeakPolarHBondContact O-CG1 3.45Å; D132-I136 PolarHBondContact O-N 3.49Å; N133-I136 WeakPolarHBondContact O-CB 3.37Å; N133-I136 PolarHBondContact O-N 3.19Å; V134-I136 VanDerWaalsContact C-N 3.28Å; V134-I136 PolarHBondContact O-N 3.38Å; I136-K139 PolarHBondContact O-N 3.37Å; I136-R140 WeakPolarHBondContact O-CB 3.39Å; I136-R140 PolarHBondContact O-N 3.36Å; I136-G274 VanDerWaalsContact CG2-O 3.29Å; I136-G274 WeakPolarHBondContact CG2-O 3.48Å
137	M	92.1	Very high	91.2	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-61.4	-44.6	178.1	179.8	52.1	-162.6	0	0	111.9	N133 V134 K139 R140 L141 Y276 L284 L412 T416	N133-M137 WeakPolarHBondContact O-CB 3.39Å; N133-M137 PolarHBondContact O-N 2.84Å; V134-M137 CarbonylContact O-C 3.46Å; V134-M137 WeakPolarHBondContact O-CA 3.48Å; V134-M137 WeakPolarHBondContact O-CB 3.35Å; V134-M137 PolarHBondContact O-N 3.33Å; V134-M137 VanDerWaalsContact O-N 3.07Å; M137-K139 PolarHBondContact O-N 3.05Å; M137-R140 PolarHBondContact O-N 2.82Å; M137-R140 VanDerWaalsContact O-N 3.16Å; M137-L141 HydrophobicContact CE-CB 4.14Å; M137-L141 HydrophobicContact CE-CD1 4.28Å; M137-L141 HydrophobicContact CE-CD2 4.32Å; M137-L141 HydrophobicContact CE-CG 4.5Å; M137-L141 VanDerWaalsContact O-CB 3.28Å; M137-L141 WeakPolarHBondContact O-CB 3.32Å; M137-L141 PolarHBondContact O-N 3.31Å; M137-Y276 HydrophobicContact CB-CG 4.38Å; M137-Y276 HydrophobicContact CE-CE2 4.4Å; M137-Y276 HydrophobicContact CG-CD2 4.3Å; M137-Y276 HydrophobicContact CG-CG 4.48Å; M137-Y276 HydrophobicContact SD-CD1 4.1Å; M137-Y276 HydrophobicContact SD-CD2 3.55Å; M137-Y276 VanDerWaalsContact SD-CD2 3.55Å; M137-Y276 HydrophobicContact SD-CE1 4.21Å; M137-Y276 HydrophobicContact SD-CE2 3.6Å; M137-Y276 VanDerWaalsContact SD-CE2 3.6Å; M137-Y276 HydrophobicContact SD-CG 3.79Å; M137-L284 HydrophobicContact CB-CD2 4.42Å; M137-L284 HydrophobicContact CG-CD2 3.73Å; M137-L412 HydrophobicContact CE-CD1 3.82Å; M137-T416 HydrophobicContact CE-CG2 3.3Å; M137-T416 HydrophobicContact SD-CG2 4.46Å
138	E	93.1	Very high	90.9	Very high	16 Å²	16	36.3 Å²	36.3	8%	0.075	20%	0.201	C	C	.	.	H	α-helix	trans	-53.7	-49.6	173.5	-74.1	174.1	-143.9	0	0	112.7	V134 R140 L141 A142 L284 L562 R569	V134-E138 WeakPolarHBondContact O-CG 3.45Å; V134-E138 PolarHBondContact O-N 3.25Å; E138-R140 VanDerWaalsContact C-N 3.32Å; E138-R140 PolarHBondContact O-N 3.12Å; E138-L141 PolarHBondContact O-N 2.85Å; E138-A142 PolarHBondContact O-N 3.08Å; E138-L284 HydrophobicContact CG-CD1 3.69Å; E138-L284 HydrophobicContact CG-CD2 4.16Å; E138-L562 HydrophobicContact CB-CD2 3.76Å; E138-L562 HydrophobicContact CG-CD2 3.87Å; E138-R569 IonicContact OE1-CZ 2.82Å; E138-R569 IonicContact OE1-NH1 3.16Å; E138-R569 IonicContact OE1-NH2 3.17Å; E138-R569 PolarHBondContact OE1-NH2 3.45Å; E138-R569 IonicContact OE2-CZ 2.72Å; E138-R569 IonicContact OE2-NH1 3.9Å; E138-R569 PolarHBondContact OE2-NH1 3.46Å; E138-R569 IonicContact OE2-NH2 2.67Å; E138-R569 PolarHBondContact OE2-NH2 3.35Å
139	K	91.9	Very high	90.7	Very high	137 Å²	137	38.7 Å²	38.7	60%	0.596	21%	0.21	S	C	*	.	H	α-helix	trans	-63.9	-39	178.7	-71.1	169.9	-175.4	170	0	111.7	K135 I136 M137 V143 T273	K135-K139 WeakPolarHBondContact O-CG 3.37Å; K135-K139 PolarHBondContact O-N 2.88Å; I136-K139 PolarHBondContact O-N 3.37Å; M137-K139 PolarHBondContact O-N 3.05Å; K139-V143 WeakPolarHBondContact O-CG2 3.2Å; K139-V143 PolarHBondContact O-N 3.31Å; K139-T273 HydrophobicContact CB-CG2 4.24Å
140	R	91.8	Very high	90.3	Very high	29 Å²	29	36.2 Å²	36.2	11%	0.109	19%	0.19	C	C	.	.	H	α-helix	trans	-67.6	-43.8	178.9	-168.6	172.9	-178.2	85.3	8.8	111.3	I136 M137 E138 V143 L144 L270 T273 D419	I136-R140 WeakPolarHBondContact O-CB 3.39Å; I136-R140 PolarHBondContact O-N 3.36Å; M137-R140 PolarHBondContact O-N 2.82Å; M137-R140 VanDerWaalsContact O-N 3.16Å; E138-R140 VanDerWaalsContact C-N 3.32Å; E138-R140 PolarHBondContact O-N 3.12Å; R140-V143 PolarHBondContact O-N 3.37Å; R140-L144 HydrophobicContact CG-CD1 4.32Å; R140-L144 WeakPolarHBondContact O-CG 3.48Å; R140-L144 PolarHBondContact O-N 3.18Å; R140-L270 HydrophobicContact CG-CD1 3.7Å; R140-L270 PolarHBondContact NH1-O 3.24Å; R140-T273 HydrophobicContact CB-CG2 4.21Å; R140-T273 WeakPolarHBondContact CG-OG1 3.49Å; R140-T273 PolarHBondContact NH1-OG1 3.5Å; R140-D419 IonicContact CZ-OD1 3.31Å; R140-D419 IonicContact CZ-OD2 2.73Å; R140-D419 IonicContact NE-OD1 3.57Å; R140-D419 PolarHBondContact NE-OD1 3.16Å; R140-D419 IonicContact NE-OD2 2.71Å; R140-D419 PolarHBondContact NE-OD2 3.47Å; R140-D419 IonicContact NH2-OD1 2.61Å; R140-D419 PolarHBondContact NH2-OD1 2.98Å; R140-D419 IonicContact NH2-OD2 3.41Å; R140-D419 PolarHBondContact NH2-OD2 3.18Å
141	L	92.3	Very high	89.7	Confident	0 Å²	0	37.7 Å²	37.7	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-61.5	-43.4	176.1	-171.7	58.2	0	0	0	111.7	M137 E138 V143 L144 E145 L284 F288 L412 I415 V558 L562	M137-L141 HydrophobicContact CE-CB 4.14Å; M137-L141 HydrophobicContact CE-CD1 4.28Å; M137-L141 HydrophobicContact CE-CD2 4.32Å; M137-L141 HydrophobicContact CE-CG 4.5Å; M137-L141 VanDerWaalsContact O-CB 3.28Å; M137-L141 WeakPolarHBondContact O-CB 3.32Å; M137-L141 PolarHBondContact O-N 3.31Å; E138-L141 PolarHBondContact O-N 2.85Å; L141-V143 VanDerWaalsContact C-N 3.31Å; L141-V143 PolarHBondContact O-N 3.02Å; L141-L144 PolarHBondContact O-N 3.41Å; L141-L144 VanDerWaalsContact O-N 3.13Å; L141-E145 WeakPolarHBondContact O-CG 3.47Å; L141-E145 PolarHBondContact O-N 3.48Å; L141-L284 HydrophobicContact CD2-CD2 3.94Å; L141-F288 HydrophobicContact CD2-CE2 3.88Å; L141-F288 HydrophobicContact CD2-CZ 4.05Å; L141-L412 HydrophobicContact CD1-CD1 4.2Å; L141-L412 HydrophobicContact CD2-CD1 3.58Å; L141-I415 HydrophobicContact CD1-CB 4.22Å; L141-I415 HydrophobicContact CD1-CD1 4.29Å; L141-I415 HydrophobicContact CD1-CG2 3.67Å; L141-V558 HydrophobicContact CD1-CG1 4.09Å; L141-V558 HydrophobicContact CD2-CG1 3.48Å; L141-V558 VanDerWaalsContact CD2-CG1 3.48Å; L141-V558 HydrophobicContact CG-CG1 3.61Å; L141-L562 HydrophobicContact CB-CD1 4.16Å; L141-L562 HydrophobicContact CD2-CD1 4.14Å; L141-L562 HydrophobicContact CG-CD1 3.97Å
142	A	92.4	Very high	88.8	Confident	38 Å²	38	38.8 Å²	38.8	31%	0.314	20%	0.199	S	C	.	.	H	α-helix	trans	-57.2	-41.7	173.7	0	0	0	0	0	112.7	E138 E145 D146 L562	E138-A142 PolarHBondContact O-N 3.08Å; A142-E145 PolarHBondContact O-N 3.14Å; A142-D146 PolarHBondContact O-N 2.7Å; A142-L562 HydrophobicContact CB-CD1 4.14Å
143	V	91.3	Very high	87.8	Confident	10 Å²	10	37.8 Å²	37.8	6%	0.061	20%	0.198	C	C	.	.	H	α-helix	trans	-68.4	-37.3	176.4	176.2	0	0	0	0	111.7	K139 R140 L141 D146 I147 L266 Q269 L270	K139-V143 WeakPolarHBondContact O-CG2 3.2Å; K139-V143 PolarHBondContact O-N 3.31Å; R140-V143 PolarHBondContact O-N 3.37Å; L141-V143 VanDerWaalsContact C-N 3.31Å; L141-V143 PolarHBondContact O-N 3.02Å; V143-D146 PolarHBondContact O-N 3.07Å; V143-I147 HydrophobicContact CG1-CD1 4.13Å; V143-I147 VanDerWaalsContact O-CG1 3.28Å; V143-I147 WeakPolarHBondContact O-CG1 3.47Å; V143-I147 PolarHBondContact O-N 3.36Å; V143-L266 HydrophobicContact CG1-CB 4.27Å; V143-L266 HydrophobicContact CG1-CD2 4.48Å; V143-L266 VanDerWaalsContact CG1-O 3.32Å; V143-L266 WeakPolarHBondContact CG1-O 3.22Å; V143-Q269 HydrophobicContact CG1-CB 4.22Å; V143-Q269 HydrophobicContact CG2-CB 3.87Å; V143-L270 HydrophobicContact CB-CD1 4.33Å; V143-L270 HydrophobicContact CG1-CB 3.86Å; V143-L270 HydrophobicContact CG1-CD1 4.07Å
144	L	90.6	Very high	87.1	Confident	0 Å²	0	37.9 Å²	37.9	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-66.2	-39	176.4	-67.3	165.7	0	0	0	111.9	R140 L141 I147 S148 L270 I415 D419 F544 L548	R140-L144 HydrophobicContact CG-CD1 4.32Å; R140-L144 WeakPolarHBondContact O-CG 3.48Å; R140-L144 PolarHBondContact O-N 3.18Å; L141-L144 PolarHBondContact O-N 3.41Å; L141-L144 VanDerWaalsContact O-N 3.13Å; L144-I147 PolarHBondContact O-N 2.95Å; L144-S148 PolarHBondContact O-N 3.02Å; L144-L270 HydrophobicContact CD1-CD1 4.48Å; L144-L270 HydrophobicContact CD2-CD1 3.7Å; L144-L270 HydrophobicContact CD2-CD2 4.05Å; L144-L270 HydrophobicContact CG-CD1 3.81Å; L144-I415 HydrophobicContact CB-CG2 3.8Å; L144-I415 HydrophobicContact CD1-CG2 3.58Å; L144-I415 HydrophobicContact CG-CG2 4.26Å; L144-D419 HydrophobicContact CD1-CB 3.76Å; L144-D419 HydrophobicContact CD2-CB 4.31Å; L144-F544 HydrophobicContact CD2-CE2 4.12Å; L144-F544 HydrophobicContact CD2-CZ 3.8Å; L144-L548 HydrophobicContact CB-CD2 4.45Å; L144-L548 HydrophobicContact CD2-CD1 4.19Å; L144-L548 HydrophobicContact CD2-CD2 4.3Å
145	E	90.6	Very high	86.2	Confident	15 Å²	15	40.4 Å²	40.4	7%	0.07	22%	0.218	C	C	.	.	H	α-helix	trans	-63.6	-45.3	171.8	-71.3	-68.2	178.1	0	0	112.2	L141 A142 I147 S148 L149 H411 I415 V558	L141-E145 WeakPolarHBondContact O-CG 3.47Å; L141-E145 PolarHBondContact O-N 3.48Å; A142-E145 PolarHBondContact O-N 3.14Å; E145-I147 VanDerWaalsContact C-N 3.31Å; E145-I147 PolarHBondContact O-N 3.25Å; E145-S148 WeakPolarHBondContact O-CB 3.37Å; E145-S148 PolarHBondContact O-N 3.18Å; E145-L149 PolarHBondContact O-N 3.12Å; E145-H411 IonicContact OE1-CD2 2.75Å; E145-H411 IonicContact OE1-CE1 3.99Å; E145-H411 IonicContact OE1-NE2 2.74Å; E145-H411 PolarHBondContact OE1-NE2 3.38Å; E145-I415 HydrophobicContact CG-CD1 4.37Å; E145-I415 VanDerWaalsContact OE1-CD1 3.3Å; E145-I415 WeakPolarHBondContact OE1-CD1 3.29Å; E145-V558 HydrophobicContact CG-CG1 4.1Å; E145-V558 WeakPolarHBondContact OE1-CG1 3.44Å
146	D	89.2	Confident	85.4	Confident	51 Å²	51	38.3 Å²	38.3	27%	0.273	21%	0.209	S	C	.	.	H	α-helix	trans	-63.3	-35	175.7	-81.5	-17.5	0	0	0	112	A142 V143 I150 L266 R559	A142-D146 PolarHBondContact O-N 2.7Å; V143-D146 PolarHBondContact O-N 3.07Å; D146-I150 PolarHBondContact O-N 3.21Å; D146-L266 HydrophobicContact CB-CD1 3.99Å; D146-L266 HydrophobicContact CB-CD2 3.93Å; D146-R559 IonicContact OD1-CZ 3.75Å; D146-R559 VanDerWaalsContact OD1-CZ 3.28Å; D146-R559 IonicContact OD1-NH1 2.83Å; D146-R559 PolarHBondContact OD1-NH1 3.02Å; D146-R559 IonicContact OD1-NH2 3.61Å; D146-R559 PolarHBondContact OD1-NH2 3.48Å
147	I	87.4	Confident	84.3	Confident	4 Å²	4	41.4 Å²	41.4	2%	0.021	22%	0.222	C	C	.	.	H	α-helix	trans	-63.8	-47.9	172.2	-70.7	167.1	0	0	0	110.1	V143 L144 E145 L149 I150 L151 L266 L270 F544 Y545 L548	V143-I147 HydrophobicContact CG1-CD1 4.13Å; V143-I147 VanDerWaalsContact O-CG1 3.28Å; V143-I147 WeakPolarHBondContact O-CG1 3.47Å; V143-I147 PolarHBondContact O-N 3.36Å; L144-I147 PolarHBondContact O-N 2.95Å; E145-I147 VanDerWaalsContact C-N 3.31Å; E145-I147 PolarHBondContact O-N 3.25Å; I147-L149 VanDerWaalsContact C-N 3.29Å; I147-L149 PolarHBondContact O-N 3.4Å; I147-I150 PolarHBondContact O-N 3.22Å; I147-L151 HydrophobicContact CG2-CD1 4.32Å; I147-L151 WeakPolarHBondContact O-CG 3.4Å; I147-L151 PolarHBondContact O-N 3.45Å; I147-L266 HydrophobicContact CB-CD1 4.4Å; I147-L266 HydrophobicContact CD1-CB 4.22Å; I147-L266 HydrophobicContact CG1-CB 3.7Å; I147-L266 HydrophobicContact CG1-CD1 3.7Å; I147-L266 HydrophobicContact CG1-CG 4.33Å; I147-L270 HydrophobicContact CD1-CD2 4.19Å; I147-F544 HydrophobicContact CG2-CE1 4.43Å; I147-Y545 HydrophobicContact CG2-CD1 4.19Å; I147-Y545 HydrophobicContact CG2-CE1 4.17Å; I147-L548 HydrophobicContact CB-CD1 4.25Å; I147-L548 HydrophobicContact CG2-CD1 3.71Å
148	S	86.7	Confident	83.3	Confident	1 Å²	1	49.1 Å²	49.1	1%	0.007	26%	0.256	C	S	.	.	H	α-helix	trans	-57	-43	179.1	-162.8	0	0	0	0	111.8	L144 E145 I150 L151 L548	L144-S148 PolarHBondContact O-N 3.02Å; E145-S148 WeakPolarHBondContact O-CB 3.37Å; E145-S148 PolarHBondContact O-N 3.18Å; S148-I150 PolarHBondContact O-N 2.94Å; S148-L151 PolarHBondContact O-N 2.98Å; S148-L548 PolarHBondContact OG-O 3.42Å
149	L	83.7	Confident	82.4	Confident	88 Å²	88	48.8 Å²	48.8	46%	0.461	26%	0.255	S	S	.	.	H	α-helix	trans	-66.6	-34.1	178.1	-171.6	145.3	0	0	0	113.4	E145 I147 L151	E145-L149 PolarHBondContact O-N 3.12Å; I147-L149 VanDerWaalsContact C-N 3.29Å; I147-L149 PolarHBondContact O-N 3.4Å; L149-L151 VanDerWaalsContact C-N 3.34Å
150	I	80.8	Confident	81.5	Confident	29 Å²	29	46.8 Å²	46.8	15%	0.149	25%	0.25	C	S	.	.	H	α-helix	trans	-64.8	-40.1	173.9	-72	-171.9	0	0	0	111.1	D146 I147 S148 D152 T153 V154 F262 L266	D146-I150 PolarHBondContact O-N 3.21Å; I147-I150 PolarHBondContact O-N 3.22Å; S148-I150 PolarHBondContact O-N 2.94Å; I150-D152 VanDerWaalsContact C-N 3.29Å; I150-D152 PolarHBondContact O-N 2.84Å; I150-T153 PolarHBondContact O-N 2.9Å; I150-T153 PolarHBondContact O-OG1 3.18Å; I150-V154 PolarHBondContact O-N 3.17Å; I150-V154 VanDerWaalsContact O-N 3.08Å; I150-F262 HydrophobicContact CD1-CB 3.66Å; I150-F262 HydrophobicContact CD1-CG 4.5Å; I150-L266 HydrophobicContact CD1-CD1 3.52Å; I150-L266 HydrophobicContact CD1-CG 4.46Å; I150-L266 HydrophobicContact CG1-CD1 4.24Å
151	L	79.8	Confident	80.9	Confident	35 Å²	35	46.2 Å²	46.2	18%	0.183	25%	0.251	C	S	.	.	H	α-helix	trans	-62.8	-31.3	-177.1	-64.9	168.9	0	0	0	113.3	I147 S148 L149 T153 L156 Y545	I147-L151 HydrophobicContact CG2-CD1 4.32Å; I147-L151 WeakPolarHBondContact O-CG 3.4Å; I147-L151 PolarHBondContact O-N 3.45Å; S148-L151 PolarHBondContact O-N 2.98Å; L149-L151 VanDerWaalsContact C-N 3.34Å; L151-T153 VanDerWaalsContact C-N 3.27Å; L151-T153 PolarHBondContact O-N 3.29Å; L151-L156 HydrophobicContact CD2-CD1 3.83Å; L151-Y545 HydrophobicContact CD1-CD1 3.85Å; L151-Y545 HydrophobicContact CD1-CG 4.08Å; L151-Y545 HydrophobicContact CD2-CD1 3.92Å; L151-Y545 HydrophobicContact CD2-CD2 4.37Å; L151-Y545 HydrophobicContact CD2-CE1 4.43Å; L151-Y545 HydrophobicContact CD2-CG 3.87Å; L151-Y545 HydrophobicContact CG-CD1 4.4Å
152	D	73.9	Confident	80.4	Confident	90 Å²	90	54 Å²	54	48%	0.481	29%	0.285	S	S	.	.	H	α-helix	trans	-61.4	-38.2	171.1	-63.7	-53.9	0	0	0	112.4	I150 K552	I150-D152 VanDerWaalsContact C-N 3.29Å; I150-D152 PolarHBondContact O-N 2.84Å; D152-K552 IonicContact OD1-NZ 2.96Å; D152-K552 PolarHBondContact OD1-NZ 3.17Å; D152-K552 VanDerWaalsContact OD2-CE 3.32Å; D152-K552 WeakPolarHBondContact OD2-CE 3.4Å; D152-K552 IonicContact OD2-NZ 2.76Å; D152-K552 PolarHBondContact OD2-NZ 3.43Å
153	T	70.4	Confident	80	Confident	102 Å²	102	55.7 Å²	55.7	63%	0.626	29%	0.289	S	S	*	.	H	α-helix	trans	-90.7	-21.1	-167.9	65.7	0	0	0	0	113.2	I150 L151	I150-T153 PolarHBondContact O-N 2.9Å; I150-T153 PolarHBondContact O-OG1 3.18Å; L151-T153 VanDerWaalsContact C-N 3.27Å; L151-T153 PolarHBondContact O-N 3.29Å
154	V	74.4	Confident	79.9	Confident	42 Å²	42	55.4 Å²	55.4	26%	0.255	29%	0.287	S	S	.	.			trans	-143.7	126.2	-177	-167.3	0	0	0	0	112.5	I150 L156 P259	I150-V154 PolarHBondContact O-N 3.17Å; I150-V154 VanDerWaalsContact O-N 3.08Å; V154-L156 PolarHBondContact O-N 3.39Å; V154-P259 HydrophobicContact CB-CB 4.1Å; V154-P259 HydrophobicContact CB-CG 4.22Å; V154-P259 HydrophobicContact CG1-CB 3.62Å; V154-P259 HydrophobicContact CG1-CG 3.5Å; V154-P259 VanDerWaalsContact CG1-CG 3.5Å; V154-P259 HydrophobicContact CG2-CB 3.98Å; V154-P259 HydrophobicContact CG2-CG 3.84Å
155	S	74.4	Confident	79.8	Confident	55 Å²	55	56.1 Å²	56.1	39%	0.385	29%	0.294	S	S	.	.			trans	-74.6	99.5	160.2	-49.6	0	0	0	0	110.6	E157 K158	S155-E157 PolarHBondContact O-N 3.44Å; S155-K158 PolarHBondContact O-N 3Å; S155-K158 PolarHBondContact OG-NZ 3.04Å
156	L	74.6	Confident	79.7	Confident	10 Å²	10	57.9 Å²	57.9	5%	0.052	31%	0.306	C	S	.	.	G	3₁₀ helix	trans	-56.3	-31.4	178.5	-63.5	170.9	0	0	0	113	L151 V154 K158 P259 E263 I536 Y545	L151-L156 HydrophobicContact CD2-CD1 3.83Å; V154-L156 PolarHBondContact O-N 3.39Å; L156-K158 PolarHBondContact O-N 3.06Å; L156-P259 HydrophobicContact CD2-CB 3.95Å; L156-E263 HydrophobicContact CD1-CG 4.12Å; L156-E263 HydrophobicContact CD2-CB 4.49Å; L156-I536 HydrophobicContact CB-CD1 4.21Å; L156-I536 HydrophobicContact CD1-CD1 4.26Å; L156-I536 HydrophobicContact CD2-CD1 4.39Å; L156-Y545 HydrophobicContact CD1-CD2 4.43Å; L156-Y545 HydrophobicContact CD1-CE1 4.48Å; L156-Y545 HydrophobicContact CD1-CE2 3.83Å
157	E	68.5	Low	79.8	Confident	117 Å²	117	57 Å²	57	55%	0.547	30%	0.3	S	S	.	.	G	3₁₀ helix	trans	-62.6	-22.8	174.5	-62.1	174.9	177.7	0	0	114.2	S155 T537 L542	S155-E157 PolarHBondContact O-N 3.44Å; E157-T537 HydrophobicContact CG-CG2 4.37Å; E157-L542 HydrophobicContact CG-CD2 4.13Å; E157-L542 WeakPolarHBondContact OE1-CD2 3.37Å
158	K	70.8	Confident	80.1	Confident	162 Å²	162	57.6 Å²	57.6	70%	0.704	30%	0.303	S	S	*	.	G	3₁₀ helix	trans	-95.5	8.7	-173.4	-62.1	-177.9	-170.6	144.5	0	114.1	S155 L156 D160	S155-K158 PolarHBondContact O-N 3Å; S155-K158 PolarHBondContact OG-NZ 3.04Å; L156-K158 PolarHBondContact O-N 3.06Å; K158-D160 PolarHBondContact O-N 3.5Å; K158-D160 VanDerWaalsContact O-N 3.12Å
159	V	75.8	Confident	80.4	Confident	9 Å²	9	65.2 Å²	65.2	6%	0.055	33%	0.332	C	S	.	.			trans	-72.6	100.9	176.4	177.7	0	0	0	0	109.3	S161 V256 F257 L260 Q533	V159-S161 PolarHBondContact O-N 3.07Å; V159-S161 VanDerWaalsContact O-N 3.09Å; V159-V256 HydrophobicContact CG1-CB 4.48Å; V159-V256 HydrophobicContact CG1-CG2 4.21Å; V159-V256 WeakPolarHBondContact CG1-O 3.39Å; V159-F257 HydrophobicContact CG1-CD1 3.69Å; V159-F257 HydrophobicContact CG1-CE1 4Å; V159-L260 HydrophobicContact CG1-CD1 3.99Å; V159-L260 HydrophobicContact CG1-CG 4.3Å; V159-L260 HydrophobicContact CG2-CD2 4.19Å; V159-L260 HydrophobicContact CG2-CG 4.38Å; V159-Q533 PolarHBondContact O-NE2 3.29Å; V159-Q533 PolarHBondContact O-OE1 3.21Å
160	D	72.4	Confident	80.9	Confident	95 Å²	95	62 Å²	62	51%	0.508	32%	0.315	S	S	.	.			trans	-79.6	95	-179.6	-166.6	-13.4	0	0	0	111.7	K158 K162 D163	K158-D160 PolarHBondContact O-N 3.5Å; K158-D160 VanDerWaalsContact O-N 3.12Å; D160-K162 VanDerWaalsContact C-N 3.32Å; D160-K162 WeakPolarHBondContact OD1-CA 3.35Å; D160-K162 VanDerWaalsContact OD1-CB 3.23Å; D160-K162 WeakPolarHBondContact OD1-CB 3.43Å; D160-K162 PolarHBondContact OD1-N 2.87Å; D160-D163 PolarHBondContact OD1-N 3.46Å
161	S	79.9	Confident	81.5	Confident	18 Å²	18	60.6 Å²	60.6	13%	0.126	31%	0.308	C	S	.	.	H	α-helix	trans	-71.8	-22.8	171.7	39.4	0	0	0	0	113.3	V159 G165 F526 Q533	V159-S161 PolarHBondContact O-N 3.07Å; V159-S161 VanDerWaalsContact O-N 3.09Å; S161-G165 PolarHBondContact O-N 3.46Å; S161-F526 VanDerWaalsContact O-CZ 3.32Å; S161-F526 WeakPolarHBondContact O-CZ 3.47Å; S161-Q533 PolarHBondContact OG-OE1 2.84Å
162	K	81.3	Confident	82.2	Confident	162 Å²	162	59.6 Å²	59.6	70%	0.704	31%	0.305	S	S	*	.	H	α-helix	trans	-73.7	-35.8	-172.7	-174.1	-175.8	174.8	-173.4	0	112.6	D160 T166	D160-K162 VanDerWaalsContact C-N 3.32Å; D160-K162 WeakPolarHBondContact OD1-CA 3.35Å; D160-K162 VanDerWaalsContact OD1-CB 3.23Å; D160-K162 WeakPolarHBondContact OD1-CB 3.43Å; D160-K162 PolarHBondContact OD1-N 2.87Å; K162-T166 PolarHBondContact O-N 3.26Å; K162-T166 VanDerWaalsContact O-N 3.09Å; K162-T166 PolarHBondContact O-OG1 3.19Å
163	D	84.4	Confident	83.2	Confident	74 Å²	74	59.3 Å²	59.3	40%	0.396	30%	0.301	S	S	.	.	H	α-helix	trans	-66.8	-47.6	175	-167.9	34.1	0	0	0	110.8	D160 G165 T166 K167 M253	D160-D163 PolarHBondContact OD1-N 3.46Å; D163-G165 PolarHBondContact O-N 2.83Å; D163-T166 WeakPolarHBondContact O-CA 3.47Å; D163-T166 WeakPolarHBondContact O-CB 3.12Å; D163-T166 PolarHBondContact O-N 3Å; D163-K167 PolarHBondContact O-N 3.36Å; D163-M253 WeakPolarHBondContact OD2-CE 3.34Å
164	Y	88.7	Confident	84.4	Confident	4 Å²	4	54.4 Å²	54.4	2%	0.016	27%	0.271	C	S	.	.	H	α-helix	trans	-57.4	-47.1	174.2	-172.4	-83.6	0	0	0	112.2	T166 K167 L168 I250 M253 F254 F257 M439 V522 F526	Y164-T166 PolarHBondContact O-N 3.07Å; Y164-K167 PolarHBondContact O-N 3.5Å; Y164-K167 VanDerWaalsContact O-N 3.17Å; Y164-L168 HydrophobicContact CD1-CB 4.47Å; Y164-L168 HydrophobicContact CE1-CB 4.25Å; Y164-L168 HydrophobicContact CE1-CD1 4.32Å; Y164-L168 HydrophobicContact CE1-CD2 4.27Å; Y164-L168 WeakPolarHBondContact O-CB 3.37Å; Y164-L168 PolarHBondContact O-N 2.88Å; Y164-I250 HydrophobicContact CD2-CG1 4.24Å; Y164-I250 HydrophobicContact CE1-CD1 4.4Å; Y164-I250 HydrophobicContact CE2-CD1 3.89Å; Y164-I250 HydrophobicContact CE2-CG1 3.79Å; Y164-M253 HydrophobicContact CD2-CB 3.72Å; Y164-M253 HydrophobicContact CE2-CB 4.29Å; Y164-F254 HydrophobicContact CE2-CB 4Å; Y164-F257 AromaticContact CD1-CE2 3.92Å; Y164-F257 HydrophobicContact CD1-CE2 3.92Å; Y164-F257 HydrophobicContact CD1-CZ 4.2Å; Y164-F257 AromaticContact CD2-CE2 3.78Å; Y164-F257 HydrophobicContact CD2-CE2 3.78Å; Y164-F257 HydrophobicContact CD2-CZ 4.41Å; Y164-F257 HydrophobicContact CE1-CE2 4.43Å; Y164-F257 HydrophobicContact CE2-CE2 4.31Å; Y164-F257 AromaticContact CG-CE2 3.59Å; Y164-F257 HydrophobicContact CG-CE2 3.59Å; Y164-F257 AromaticContact CG-CZ 3.84Å; Y164-F257 HydrophobicContact CG-CZ 3.84Å; Y164-M439 HydrophobicContact CD1-CE 4.23Å; Y164-M439 HydrophobicContact CE1-CE 3.6Å; Y164-M439 HydrophobicContact CE1-CG 4.5Å; Y164-M439 HydrophobicContact CE1-SD 4.32Å; Y164-M439 WeakPolarHBondContact OH-CG 3.2Å; Y164-V522 HydrophobicContact CE1-CG1 4.37Å; Y164-F526 AromaticContact CD1-CD2 3.95Å; Y164-F526 HydrophobicContact CD1-CD2 3.95Å; Y164-F526 AromaticContact CD1-CE2 3.35Å; Y164-F526 HydrophobicContact CD1-CE2 3.35Å; Y164-F526 AromaticContact CD1-CZ 3.85Å; Y164-F526 HydrophobicContact CD1-CZ 3.85Å; Y164-F526 HydrophobicContact CE1-CD2 4.12Å; Y164-F526 AromaticContact CE1-CE2 3.96Å; Y164-F526 HydrophobicContact CE1-CE2 3.96Å; Y164-F526 HydrophobicContact CG-CE2 4.22Å
165	G	87.8	Confident	85.3	Confident	16 Å²	16	53.2 Å²	53.2	17%	0.165	26%	0.264	C	S	.	.	H	α-helix	trans	-61.9	-24	176.7	0	0	0	0	0	113.4	S161 D163	S161-G165 PolarHBondContact O-N 3.46Å; D163-G165 PolarHBondContact O-N 2.83Å
166	T	89.6	Confident	86.1	Confident	52 Å²	52	55.3 Å²	55.3	32%	0.319	27%	0.271	S	S	.	.	H	α-helix	trans	-77.1	-46.7	172.5	-60.3	0	0	0	0	111.4	K162 D163 Y164 L168 R169 D170	K162-T166 PolarHBondContact O-N 3.26Å; K162-T166 VanDerWaalsContact O-N 3.09Å; K162-T166 PolarHBondContact O-OG1 3.19Å; D163-T166 WeakPolarHBondContact O-CA 3.47Å; D163-T166 WeakPolarHBondContact O-CB 3.12Å; D163-T166 PolarHBondContact O-N 3Å; Y164-T166 PolarHBondContact O-N 3.07Å; T166-L168 PolarHBondContact O-N 3.33Å; T166-R169 VanDerWaalsContact O-CB 3.25Å; T166-R169 WeakPolarHBondContact O-CB 3.48Å; T166-R169 PolarHBondContact O-N 2.86Å; T166-R169 VanDerWaalsContact O-N 3.08Å; T166-D170 PolarHBondContact O-N 3.48Å
167	K	91.5	Very high	86.9	Confident	32 Å²	32	57.2 Å²	57.2	14%	0.139	28%	0.279	C	S	.	.	H	α-helix	trans	-66.3	-34.4	175.9	-61.7	-50.1	-179.1	179.9	0	113.3	D163 Y164 R169 D170 V171 E249 I250 M253	D163-K167 PolarHBondContact O-N 3.36Å; Y164-K167 PolarHBondContact O-N 3.5Å; Y164-K167 VanDerWaalsContact O-N 3.17Å; K167-R169 PolarHBondContact O-N 3.23Å; K167-D170 WeakPolarHBondContact CD-OD2 3.15Å; K167-D170 IonicContact NZ-OD2 3.43Å; K167-D170 WeakPolarHBondContact O-CB 3.3Å; K167-D170 PolarHBondContact O-N 3.45Å; K167-V171 WeakPolarHBondContact O-CG2 3.24Å; K167-V171 PolarHBondContact O-N 3.16Å; K167-E249 HydrophobicContact CD-CB 4.17Å; K167-E249 IonicContact NZ-OE2 2.9Å; K167-E249 PolarHBondContact NZ-OE2 2.95Å; K167-I250 HydrophobicContact CB-CB 3.97Å; K167-I250 HydrophobicContact CB-CD1 4.21Å; K167-I250 HydrophobicContact CB-CG1 3.89Å; K167-M253 HydrophobicContact CB-SD 4.1Å; K167-M253 HydrophobicContact CG-CE 3.85Å; K167-M253 HydrophobicContact CG-SD 3.48Å; K167-M253 WeakPolarHBondContact CG-SD 3.2Å
168	L	92.9	Very high	88	Confident	16 Å²	16	51.9 Å²	51.9	8%	0.084	25%	0.254	C	S	.	.	H	α-helix	trans	-59.5	-31.8	172	-169.4	66.9	0	0	0	111.8	Y164 T166 V171 G172 I250 L442 L519 V522 F526	Y164-L168 HydrophobicContact CD1-CB 4.47Å; Y164-L168 HydrophobicContact CE1-CB 4.25Å; Y164-L168 HydrophobicContact CE1-CD1 4.32Å; Y164-L168 HydrophobicContact CE1-CD2 4.27Å; Y164-L168 WeakPolarHBondContact O-CB 3.37Å; Y164-L168 PolarHBondContact O-N 2.88Å; T166-L168 PolarHBondContact O-N 3.33Å; L168-V171 WeakPolarHBondContact O-CB 3.27Å; L168-V171 PolarHBondContact O-N 3.2Å; L168-G172 PolarHBondContact O-N 3.16Å; L168-G172 VanDerWaalsContact O-N 3.11Å; L168-I250 HydrophobicContact CB-CD1 4.42Å; L168-I250 HydrophobicContact CD1-CD1 4.33Å; L168-L442 HydrophobicContact CD1-CD2 3.56Å; L168-L519 HydrophobicContact CD1-CD1 3.67Å; L168-L519 HydrophobicContact CG-CD1 4.02Å; L168-V522 HydrophobicContact CD1-CB 4.47Å; L168-V522 HydrophobicContact CD1-CG1 3.8Å; L168-V522 HydrophobicContact CD2-CG1 3.98Å; L168-F526 HydrophobicContact CD2-CB 4.39Å; L168-F526 HydrophobicContact CD2-CG 4.39Å
169	R	92.6	Very high	88.9	Confident	162 Å²	162	46.8 Å²	46.8	61%	0.611	24%	0.236	S	C	*	.	H	α-helix	trans	-71.1	-39.2	172.8	-163	-174.1	-56.9	103.7	7.2	112.3	T166 K167 V171 G172 E173	T166-R169 VanDerWaalsContact O-CB 3.25Å; T166-R169 WeakPolarHBondContact O-CB 3.48Å; T166-R169 PolarHBondContact O-N 2.86Å; T166-R169 VanDerWaalsContact O-N 3.08Å; K167-R169 PolarHBondContact O-N 3.23Å; R169-V171 VanDerWaalsContact C-N 3.27Å; R169-V171 PolarHBondContact O-N 3.35Å; R169-G172 PolarHBondContact O-N 3.37Å; R169-G172 VanDerWaalsContact O-N 3.12Å; R169-E173 PolarHBondContact O-N 3.01Å
170	D	94.3	Very high	89.6	Confident	20 Å²	20	51.8 Å²	51.8	11%	0.107	26%	0.259	C	S	.	.	H	α-helix	trans	-61	-37.1	172.8	-70.6	-46.2	0	0	0	111.1	T166 K167 E173 F174 R246	T166-D170 PolarHBondContact O-N 3.48Å; K167-D170 WeakPolarHBondContact CD-OD2 3.15Å; K167-D170 IonicContact NZ-OD2 3.43Å; K167-D170 WeakPolarHBondContact O-CB 3.3Å; K167-D170 PolarHBondContact O-N 3.45Å; D170-E173 PolarHBondContact O-N 3.07Å; D170-F174 WeakPolarHBondContact O-CB 3.42Å; D170-F174 PolarHBondContact O-N 3.06Å; D170-R246 HydrophobicContact CB-CB 4.13Å; D170-R246 IonicContact OD1-CZ 3.79Å; D170-R246 IonicContact OD1-NH1 2.84Å; D170-R246 PolarHBondContact OD1-NH1 3.41Å
171	V	94.5	Very high	90.3	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-62.4	-42.7	171.5	-179.6	0	0	0	0	111.5	K167 L168 R169 F174 V175 A247 I250 L442 L446 L519	K167-V171 WeakPolarHBondContact O-CG2 3.24Å; K167-V171 PolarHBondContact O-N 3.16Å; L168-V171 WeakPolarHBondContact O-CB 3.27Å; L168-V171 PolarHBondContact O-N 3.2Å; R169-V171 VanDerWaalsContact C-N 3.27Å; R169-V171 PolarHBondContact O-N 3.35Å; V171-F174 WeakPolarHBondContact O-CB 3.32Å; V171-F174 PolarHBondContact O-N 3.02Å; V171-V175 WeakPolarHBondContact O-CG2 3.35Å; V171-V175 PolarHBondContact O-N 2.8Å; V171-A247 HydrophobicContact CB-CB 4.45Å; V171-A247 HydrophobicContact CG2-CB 4.02Å; V171-I250 HydrophobicContact CG2-CD1 4.01Å; V171-I250 HydrophobicContact CG2-CG2 4.32Å; V171-L442 HydrophobicContact CG1-CD1 4.18Å; V171-L446 HydrophobicContact CB-CD1 4.41Å; V171-L446 HydrophobicContact CG1-CD1 3.94Å; V171-L446 HydrophobicContact CG1-CD2 4.33Å; V171-L446 HydrophobicContact CG2-CD1 3.5Å; V171-L519 HydrophobicContact CB-CD1 4.33Å; V171-L519 HydrophobicContact CG1-CD1 4.11Å
172	G	94.1	Very high	90.6	Very high	13 Å²	13	48.7 Å²	48.7	13%	0.134	24%	0.24	C	C	.	.	H	α-helix	trans	-66.3	-38.5	175	0	0	0	0	0	114.1	L168 R169 F174 V175 N176 L519	L168-G172 PolarHBondContact O-N 3.16Å; L168-G172 VanDerWaalsContact O-N 3.11Å; R169-G172 PolarHBondContact O-N 3.37Å; R169-G172 VanDerWaalsContact O-N 3.12Å; G172-F174 VanDerWaalsContact C-N 3.3Å; G172-F174 PolarHBondContact O-N 2.64Å; G172-V175 PolarHBondContact O-N 3.17Å; G172-N176 WeakPolarHBondContact O-CB 3.34Å; G172-N176 VanDerWaalsContact O-CG 3.3Å; G172-N176 PolarHBondContact O-N 3.42Å; G172-N176 PolarHBondContact O-ND2 3.19Å; G172-N176 VanDerWaalsContact O-ND2 3.14Å; G172-L519 VanDerWaalsContact CA-CD2 3.45Å
173	E	94.9	Very high	90.9	Very high	84 Å²	84	48 Å²	48	39%	0.393	24%	0.239	S	C	.	.	H	α-helix	trans	-60.9	-42.5	171.3	-163.4	-162.7	144.1	0	0	110.3	R169 D170 N176 K177 V243 R246	R169-E173 PolarHBondContact O-N 3.01Å; D170-E173 PolarHBondContact O-N 3.07Å; E173-N176 PolarHBondContact O-N 2.95Å; E173-K177 WeakPolarHBondContact O-CB 3.33Å; E173-K177 PolarHBondContact O-N 3Å; E173-V243 HydrophobicContact CB-CG1 3.71Å; E173-V243 HydrophobicContact CG-CG1 3.8Å; E173-V243 WeakPolarHBondContact OE1-CG2 3.34Å; E173-R246 IonicContact OE1-CZ 3.37Å; E173-R246 IonicContact OE1-NH1 3.15Å; E173-R246 IonicContact OE1-NH2 3.61Å; E173-R246 PolarHBondContact OE1-NH2 3.49Å; E173-R246 IonicContact OE2-CZ 2.54Å; E173-R246 VanDerWaalsContact OE2-CZ 3.27Å; E173-R246 IonicContact OE2-NH1 2.81Å; E173-R246 PolarHBondContact OE2-NH1 3.42Å; E173-R246 IonicContact OE2-NH2 2.72Å; E173-R246 PolarHBondContact OE2-NH2 3.28Å
174	F	95	Very high	91	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-61.8	-49.3	177.4	167.8	-113.9	0	0	0	112.2	D170 V171 G172 N176 K177 F178 V240 V243 L244 A247 L446 L508 M512	D170-F174 WeakPolarHBondContact O-CB 3.42Å; D170-F174 PolarHBondContact O-N 3.06Å; V171-F174 WeakPolarHBondContact O-CB 3.32Å; V171-F174 PolarHBondContact O-N 3.02Å; G172-F174 VanDerWaalsContact C-N 3.3Å; G172-F174 PolarHBondContact O-N 2.64Å; F174-N176 PolarHBondContact O-N 3.27Å; F174-K177 PolarHBondContact O-N 3.3Å; F174-F178 HydrophobicContact CE2-CB 4.4Å; F174-F178 WeakPolarHBondContact O-CB 3.48Å; F174-F178 PolarHBondContact O-N 2.98Å; F174-V240 HydrophobicContact CD2-CG1 4.38Å; F174-V240 HydrophobicContact CE2-CG1 3.78Å; F174-V243 HydrophobicContact CB-CB 4.26Å; F174-V243 HydrophobicContact CB-CG1 3.84Å; F174-V243 VanDerWaalsContact N-CG1 3.31Å; F174-L244 HydrophobicContact CD1-CD1 4.26Å; F174-L244 HydrophobicContact CD2-CB 3.7Å; F174-L244 HydrophobicContact CD2-CD1 4.32Å; F174-L244 HydrophobicContact CE1-CD1 3.87Å; F174-L244 HydrophobicContact CE2-CB 3.59Å; F174-L244 HydrophobicContact CE2-CD1 3.95Å; F174-L244 HydrophobicContact CE2-CD2 4.38Å; F174-L244 HydrophobicContact CE2-CG 4.16Å; F174-L244 HydrophobicContact CG-CB 4.45Å; F174-L244 HydrophobicContact CG-CD1 4.48Å; F174-L244 HydrophobicContact CZ-CB 4.25Å; F174-L244 HydrophobicContact CZ-CD1 3.7Å; F174-L244 HydrophobicContact CZ-CD2 4.44Å; F174-L244 HydrophobicContact CZ-CG 4.33Å; F174-A247 HydrophobicContact CB-CB 3.78Å; F174-A247 HydrophobicContact CD1-CB 4.41Å; F174-A247 HydrophobicContact CG-CB 4.21Å; F174-L446 HydrophobicContact CD1-CD2 4.1Å; F174-L446 HydrophobicContact CE1-CD2 4.24Å; F174-L508 HydrophobicContact CE1-CD1 4.39Å; F174-L508 HydrophobicContact CZ-CD1 3.89Å; F174-L508 HydrophobicContact CZ-CD2 4.08Å; F174-L508 HydrophobicContact CZ-CG 4.49Å; F174-M512 HydrophobicContact CD1-CE 4.4Å; F174-M512 HydrophobicContact CE1-CE 3.87Å; F174-M512 HydrophobicContact CE1-SD 3.83Å; F174-M512 HydrophobicContact CZ-CE 4.28Å; F174-M512 HydrophobicContact CZ-SD 3.95Å
175	V	93.3	Very high	91	Very high	16 Å²	16	53.2 Å²	53.2	10%	0.097	26%	0.257	C	S	.	.	H	α-helix	trans	-58.3	-49.8	178.4	173	0	0	0	0	110.8	V171 G172 K177 F178 T179 M512 L519	V171-V175 WeakPolarHBondContact O-CG2 3.35Å; V171-V175 PolarHBondContact O-N 2.8Å; G172-V175 PolarHBondContact O-N 3.17Å; V175-K177 PolarHBondContact O-N 3.44Å; V175-F178 PolarHBondContact O-N 3.42Å; V175-T179 PolarHBondContact O-N 2.73Å; V175-T179 VanDerWaalsContact O-N 3.12Å; V175-T179 PolarHBondContact O-OG1 2.63Å; V175-T179 VanDerWaalsContact O-OG1 3.13Å; V175-M512 HydrophobicContact CB-CE 4.02Å; V175-M512 HydrophobicContact CG1-CE 4.11Å; V175-M512 HydrophobicContact CG2-CE 3.75Å; V175-L519 HydrophobicContact CB-CD2 4.32Å; V175-L519 HydrophobicContact CG2-CD2 4.06Å
176	N	92	Very high	90.9	Very high	100 Å²	100	53.1 Å²	53.1	54%	0.535	25%	0.252	S	S	.	.	H	α-helix	trans	-63.1	-42.5	179.4	-71.4	-31.1	0	0	0	112.5	G172 E173 F174 T179 Q180	G172-N176 WeakPolarHBondContact O-CB 3.34Å; G172-N176 VanDerWaalsContact O-CG 3.3Å; G172-N176 PolarHBondContact O-N 3.42Å; G172-N176 PolarHBondContact O-ND2 3.19Å; G172-N176 VanDerWaalsContact O-ND2 3.14Å; E173-N176 PolarHBondContact O-N 2.95Å; F174-N176 PolarHBondContact O-N 3.27Å; N176-T179 PolarHBondContact O-N 2.83Å; N176-Q180 WeakPolarHBondContact O-CG 3.35Å; N176-Q180 PolarHBondContact O-N 3.33Å; N176-Q180 VanDerWaalsContact O-N 3.14Å
177	K	91.8	Very high	90.8	Very high	50 Å²	50	56.2 Å²	56.2	22%	0.217	27%	0.271	C	S	.	.	H	α-helix	trans	-69.4	-37.3	-179.3	-170.2	63.7	173.1	-175.7	0	112	E173 F174 V175 I181 Q239 V243	E173-K177 WeakPolarHBondContact O-CB 3.33Å; E173-K177 PolarHBondContact O-N 3Å; F174-K177 PolarHBondContact O-N 3.3Å; V175-K177 PolarHBondContact O-N 3.44Å; K177-I181 WeakPolarHBondContact O-CG1 3.49Å; K177-I181 PolarHBondContact O-N 3.27Å; K177-Q239 VanDerWaalsContact CE-OE1 3.24Å; K177-V243 HydrophobicContact CB-CG2 4.39Å; K177-V243 HydrophobicContact CG-CG2 4.22Å
178	F	91.6	Very high	90.6	Very high	5 Å²	5	59.9 Å²	59.9	2%	0.022	29%	0.289	C	S	.	.	H	α-helix	trans	-59.3	-52.9	172.3	179.6	-80.3	0	0	0	110.5	F174 V175 Q180 I181 H182 V240 F505 L508 Q509 M512	F174-F178 HydrophobicContact CE2-CB 4.4Å; F174-F178 WeakPolarHBondContact O-CB 3.48Å; F174-F178 PolarHBondContact O-N 2.98Å; V175-F178 PolarHBondContact O-N 3.42Å; F178-Q180 VanDerWaalsContact C-N 3.35Å; F178-Q180 PolarHBondContact O-N 3.41Å; F178-I181 PolarHBondContact O-N 2.87Å; F178-I181 VanDerWaalsContact O-N 3.15Å; F178-H182 HydrophobicContact CD1-CB 4.08Å; F178-H182 HydrophobicContact CE1-CB 3.76Å; F178-H182 AromaticContact CE1-CD2 3.68Å; F178-H182 AromaticContact CE1-CG 3.89Å; F178-H182 HydrophobicContact CZ-CB 4.38Å; F178-H182 AromaticContact CZ-CD2 3.79Å; F178-H182 VanDerWaalsContact O-CB 3.26Å; F178-H182 WeakPolarHBondContact O-CB 3.31Å; F178-H182 PolarHBondContact O-N 3.5Å; F178-V240 HydrophobicContact CB-CG1 4.25Å; F178-V240 HydrophobicContact CD2-CG1 3.93Å; F178-F505 HydrophobicContact CD2-CE2 4.15Å; F178-F505 HydrophobicContact CD2-CZ 4.35Å; F178-F505 HydrophobicContact CE1-CZ 4.42Å; F178-F505 HydrophobicContact CE2-CD2 4.09Å; F178-F505 HydrophobicContact CE2-CE1 4.13Å; F178-F505 AromaticContact CE2-CE2 3.34Å; F178-F505 HydrophobicContact CE2-CE2 3.34Å; F178-F505 AromaticContact CE2-CZ 3.38Å; F178-F505 HydrophobicContact CE2-CZ 3.38Å; F178-F505 AromaticContact CZ-CE1 3.84Å; F178-F505 HydrophobicContact CZ-CE1 3.84Å; F178-F505 AromaticContact CZ-CE2 3.91Å; F178-F505 HydrophobicContact CZ-CE2 3.91Å; F178-F505 AromaticContact CZ-CZ 3.43Å; F178-F505 HydrophobicContact CZ-CZ 3.43Å; F178-F505 VanDerWaalsContact CZ-CZ 3.43Å; F178-L508 HydrophobicContact CD2-CD2 3.67Å; F178-L508 HydrophobicContact CD2-CG 4.01Å; F178-L508 HydrophobicContact CE2-CB 4.36Å; F178-L508 HydrophobicContact CE2-CD2 3.48Å; F178-L508 VanDerWaalsContact CE2-CD2 3.48Å; F178-L508 HydrophobicContact CE2-CG 3.59Å; F178-L508 HydrophobicContact CZ-CG 4.32Å; F178-Q509 HydrophobicContact CZ-CB 4.09Å; F178-M512 HydrophobicContact CB-CE 3.98Å; F178-M512 HydrophobicContact CB-SD 4.47Å; F178-M512 HydrophobicContact CD1-CB 4.39Å; F178-M512 HydrophobicContact CD1-CE 4.3Å; F178-M512 HydrophobicContact CD1-CG 3.5Å; F178-M512 HydrophobicContact CD1-SD 4.27Å; F178-M512 HydrophobicContact CD2-CG 4.25Å; F178-M512 HydrophobicContact CD2-SD 4.29Å; F178-M512 HydrophobicContact CE1-CB 4.36Å; F178-M512 HydrophobicContact CE1-CG 3.51Å; F178-M512 HydrophobicContact CE2-CG 4.25Å; F178-M512 HydrophobicContact CG-CE 4.13Å; F178-M512 HydrophobicContact CG-CG 3.9Å; F178-M512 HydrophobicContact CG-SD 4.07Å; F178-M512 HydrophobicContact CZ-CG 3.9Å
179	T	89.1	Confident	90.1	Very high	55 Å²	55	59.3 Å²	59.3	34%	0.337	29%	0.285	S	S	.	.	H	α-helix	trans	-56.8	-47	-177.4	-57.5	0	0	0	0	111.7	V175 N176 I181 H182 E183	V175-T179 PolarHBondContact O-N 2.73Å; V175-T179 VanDerWaalsContact O-N 3.12Å; V175-T179 PolarHBondContact O-OG1 2.63Å; V175-T179 VanDerWaalsContact O-OG1 3.13Å; N176-T179 PolarHBondContact O-N 2.83Å; T179-I181 VanDerWaalsContact C-N 3.35Å; T179-I181 PolarHBondContact O-N 3.28Å; T179-H182 PolarHBondContact O-N 3.4Å; T179-E183 HydrophobicContact CG2-CG 4.29Å; T179-E183 WeakPolarHBondContact CG2-OE1 3.19Å; T179-E183 WeakPolarHBondContact O-CG 3.37Å; T179-E183 PolarHBondContact O-N 2.67Å
180	Q	89.5	Confident	89.8	Confident	113 Å²	113	54.5 Å²	54.5	53%	0.528	27%	0.269	S	S	.	.	H	α-helix	trans	-60.2	-39.3	177.7	-70.2	170.8	23.7	0	0	113.9	N176 F178 K184	N176-Q180 WeakPolarHBondContact O-CG 3.35Å; N176-Q180 PolarHBondContact O-N 3.33Å; N176-Q180 VanDerWaalsContact O-N 3.14Å; F178-Q180 VanDerWaalsContact C-N 3.35Å; F178-Q180 PolarHBondContact O-N 3.41Å; Q180-K184 VanDerWaalsContact O-CB 3.27Å; Q180-K184 WeakPolarHBondContact O-CB 3.45Å; Q180-K184 PolarHBondContact O-N 3.09Å
181	I	87.6	Confident	89.6	Confident	8 Å²	8	59.7 Å²	59.7	4%	0.041	29%	0.29	C	S	.	.	H	α-helix	trans	-78.1	-34.5	179.1	-63.9	-60.2	0	0	0	110.9	K177 F178 T179 Y185 W186 F237 V240	K177-I181 WeakPolarHBondContact O-CG1 3.49Å; K177-I181 PolarHBondContact O-N 3.27Å; F178-I181 PolarHBondContact O-N 2.87Å; F178-I181 VanDerWaalsContact O-N 3.15Å; T179-I181 VanDerWaalsContact C-N 3.35Å; T179-I181 PolarHBondContact O-N 3.28Å; I181-Y185 HydrophobicContact CD1-CD2 3.8Å; I181-Y185 HydrophobicContact CD1-CE2 3.79Å; I181-Y185 HydrophobicContact CG2-CD2 4.29Å; I181-Y185 PolarHBondContact O-N 2.89Å; I181-W186 PolarHBondContact O-N 3.43Å; I181-F237 HydrophobicContact CG2-CD1 4.41Å; I181-F237 HydrophobicContact CG2-CD2 4.35Å; I181-F237 HydrophobicContact CG2-CE1 4.18Å; I181-F237 HydrophobicContact CG2-CE2 4.07Å; I181-F237 HydrophobicContact CG2-CG 4.49Å; I181-F237 HydrophobicContact CG2-CZ 3.98Å; I181-V240 HydrophobicContact CB-CG2 3.71Å; I181-V240 HydrophobicContact CG1-CG2 3.66Å; I181-V240 HydrophobicContact CG2-CG2 3.87Å
182	H	87.1	Confident	89.4	Confident	41 Å²	41	62.1 Å²	62.1	19%	0.19	30%	0.3	C	S	.	.	H	α-helix	trans	-61.3	-59.8	176	-175.4	-80.7	0	0	0	111.2	F178 T179 K184 W186 F505 Q509	F178-H182 HydrophobicContact CD1-CB 4.08Å; F178-H182 HydrophobicContact CE1-CB 3.76Å; F178-H182 AromaticContact CE1-CD2 3.68Å; F178-H182 AromaticContact CE1-CG 3.89Å; F178-H182 HydrophobicContact CZ-CB 4.38Å; F178-H182 AromaticContact CZ-CD2 3.79Å; F178-H182 VanDerWaalsContact O-CB 3.26Å; F178-H182 WeakPolarHBondContact O-CB 3.31Å; F178-H182 PolarHBondContact O-N 3.5Å; T179-H182 PolarHBondContact O-N 3.4Å; H182-K184 PolarHBondContact O-N 3.43Å; H182-W186 AromaticContact CD2-CD1 3.76Å; H182-W186 AromaticContact CD2-CG 3.98Å; H182-W186 AromaticContact CE1-CD1 3.95Å; H182-W186 AromaticContact NE2-CD1 3.3Å; H182-W186 VanDerWaalsContact NE2-CD1 3.3Å; H182-W186 AromaticContact NE2-CG 3.97Å; H182-W186 AromaticContact NE2-NE1 3.91Å; H182-W186 WeakPolarHBondContact O-CB 3.24Å; H182-W186 PolarHBondContact O-N 3.46Å; H182-W186 VanDerWaalsContact O-N 3.13Å; H182-F505 AromaticContact CD2-CE1 3.65Å; H182-F505 AromaticContact CD2-CZ 3.9Å; H182-Q509 PolarHBondContact NE2-NE2 2.88Å; H182-Q509 PolarHBondContact NE2-OE1 3.39Å
183	E	86.9	Confident	89	Confident	148 Å²	148	61.6 Å²	61.6	69%	0.692	29%	0.294	S	S	*	.	H	α-helix	trans	-57.7	-36.7	-177.8	-70.6	174.8	169.3	0	0	112.6	T179	T179-E183 HydrophobicContact CG2-CG 4.29Å; T179-E183 WeakPolarHBondContact CG2-OE1 3.19Å; T179-E183 WeakPolarHBondContact O-CG 3.37Å; T179-E183 PolarHBondContact O-N 2.67Å
184	K	87.1	Confident	88.6	Confident	140 Å²	140	60.7 Å²	60.7	61%	0.609	29%	0.292	S	S	*	.	H	α-helix	trans	-92.8	-32.5	-171.1	-168.2	172.9	177.6	-166.3	0	114.9	Q180 H182	Q180-K184 VanDerWaalsContact O-CB 3.27Å; Q180-K184 WeakPolarHBondContact O-CB 3.45Å; Q180-K184 PolarHBondContact O-N 3.09Å; H182-K184 PolarHBondContact O-N 3.43Å
185	Y	87.1	Confident	88.3	Confident	47 Å²	47	61.9 Å²	61.9	18%	0.184	30%	0.299	C	S	.	.	H	α-helix	trans	-131.4	-12.4	-168	-54.6	-69.4	0	0	0	115	I181 M189 Y236	I181-Y185 HydrophobicContact CD1-CD2 3.8Å; I181-Y185 HydrophobicContact CD1-CE2 3.79Å; I181-Y185 HydrophobicContact CG2-CD2 4.29Å; I181-Y185 PolarHBondContact O-N 2.89Å; Y185-M189 WeakPolarHBondContact O-CB 3.43Å; Y185-M189 PolarHBondContact O-N 3.23Å; Y185-Y236 HydrophobicContact CD1-CD2 4.3Å; Y185-Y236 HydrophobicContact CD1-CE2 4.34Å; Y185-Y236 HydrophobicContact CD2-CD1 4.26Å; Y185-Y236 HydrophobicContact CD2-CG 4.14Å; Y185-Y236 HydrophobicContact CE1-CD1 4.4Å; Y185-Y236 HydrophobicContact CE1-CE1 4.13Å; Y185-Y236 HydrophobicContact CE1-CE2 4.26Å; Y185-Y236 AromaticContact CE2-CD1 3.83Å; Y185-Y236 HydrophobicContact CE2-CD1 3.83Å; Y185-Y236 HydrophobicContact CE2-CE1 4.21Å; Y185-Y236 HydrophobicContact CE2-CG 4.19Å; Y185-Y236 HydrophobicContact CG-CD2 4.36Å; Y185-Y236 HydrophobicContact CG-CG 4.3Å; Y185-Y236 AromaticContact CZ-CD1 3.9Å; Y185-Y236 AromaticContact CZ-CE1 3.79Å
186	W	86	Confident	87.9	Confident	13 Å²	13	61.1 Å²	61.1	5%	0.049	29%	0.294	C	S	.	.	H	α-helix	trans	-66.3	-44.2	-172.9	175.2	-126.4	0	0	0	113.7	I181 H182 E188 M189 K190 F237 F501 V502 F505 E506	I181-W186 PolarHBondContact O-N 3.43Å; H182-W186 AromaticContact CD2-CD1 3.76Å; H182-W186 AromaticContact CD2-CG 3.98Å; H182-W186 AromaticContact CE1-CD1 3.95Å; H182-W186 AromaticContact NE2-CD1 3.3Å; H182-W186 VanDerWaalsContact NE2-CD1 3.3Å; H182-W186 AromaticContact NE2-CG 3.97Å; H182-W186 AromaticContact NE2-NE1 3.91Å; H182-W186 WeakPolarHBondContact O-CB 3.24Å; H182-W186 PolarHBondContact O-N 3.46Å; H182-W186 VanDerWaalsContact O-N 3.13Å; W186-E188 VanDerWaalsContact C-N 3.29Å; W186-E188 PolarHBondContact O-N 3.27Å; W186-M189 HydrophobicContact CZ3-SD 4.39Å; W186-M189 PolarHBondContact O-N 3Å; W186-K190 HydrophobicContact CD2-CB 4.06Å; W186-K190 HydrophobicContact CE3-CB 4.15Å; W186-K190 HydrophobicContact CH2-CB 3.95Å; W186-K190 HydrophobicContact CH2-CD 4.48Å; W186-K190 HydrophobicContact CH2-CG 4.32Å; W186-K190 HydrophobicContact CZ2-CB 3.85Å; W186-K190 HydrophobicContact CZ2-CD 3.78Å; W186-K190 HydrophobicContact CZ2-CG 4.07Å; W186-K190 HydrophobicContact CZ3-CB 4.1Å; W186-K190 VanDerWaalsContact O-CB 3.25Å; W186-K190 WeakPolarHBondContact O-CB 3.36Å; W186-K190 PolarHBondContact O-N 3.35Å; W186-F237 AromaticContact CE3-CE1 3.91Å; W186-F237 HydrophobicContact CE3-CE1 3.91Å; W186-F237 AromaticContact CE3-CZ 3.98Å; W186-F237 HydrophobicContact CE3-CZ 3.98Å; W186-F237 HydrophobicContact CZ3-CE1 4.4Å; W186-F501 HydrophobicContact CZ3-CE1 4.18Å; W186-V502 HydrophobicContact CH2-CG1 4.37Å; W186-F505 HydrophobicContact CB-CE1 4.35Å; W186-F505 AromaticContact CD2-CD1 3.56Å; W186-F505 HydrophobicContact CD2-CD1 3.56Å; W186-F505 AromaticContact CD2-CE1 3.22Å; W186-F505 HydrophobicContact CD2-CE1 3.22Å; W186-F505 HydrophobicContact CD2-CZ 4.06Å; W186-F505 AromaticContact CE2-CD1 3.42Å; W186-F505 VanDerWaalsContact CE2-CD1 3.42Å; W186-F505 AromaticContact CE2-CE1 3.47Å; W186-F505 VanDerWaalsContact CE2-CE1 3.47Å; W186-F505 AromaticContact CE3-CD1 3.55Å; W186-F505 HydrophobicContact CE3-CD1 3.55Å; W186-F505 AromaticContact CE3-CE1 3.45Å; W186-F505 HydrophobicContact CE3-CE1 3.45Å; W186-F505 VanDerWaalsContact CE3-CE1 3.45Å; W186-F505 HydrophobicContact CE3-CG 4.15Å; W186-F505 HydrophobicContact CE3-CZ 4.01Å; W186-F505 HydrophobicContact CG-CD1 4.4Å; W186-F505 AromaticContact CG-CE1 3.65Å; W186-F505 HydrophobicContact CG-CE1 3.65Å; W186-F505 HydrophobicContact CG-CZ 4.33Å; W186-F505 HydrophobicContact CH2-CB 3.88Å; W186-F505 AromaticContact CH2-CD1 3.36Å; W186-F505 HydrophobicContact CH2-CD1 3.36Å; W186-F505 HydrophobicContact CH2-CE1 4.11Å; W186-F505 AromaticContact CH2-CG 3.8Å; W186-F505 HydrophobicContact CH2-CG 3.8Å; W186-F505 HydrophobicContact CZ2-CB 4.46Å; W186-F505 AromaticContact CZ2-CD1 3.34Å; W186-F505 HydrophobicContact CZ2-CD1 3.34Å; W186-F505 AromaticContact CZ2-CE1 3.92Å; W186-F505 HydrophobicContact CZ2-CE1 3.92Å; W186-F505 HydrophobicContact CZ2-CG 4.22Å; W186-F505 HydrophobicContact CZ3-CB 4.18Å; W186-F505 AromaticContact CZ3-CD1 3.46Å; W186-F505 HydrophobicContact CZ3-CD1 3.46Å; W186-F505 VanDerWaalsContact CZ3-CD1 3.46Å; W186-F505 HydrophobicContact CZ3-CD2 4.45Å; W186-F505 AromaticContact CZ3-CE1 3.9Å; W186-F505 HydrophobicContact CZ3-CE1 3.9Å; W186-F505 AromaticContact CZ3-CG 3.76Å; W186-F505 HydrophobicContact CZ3-CG 3.76Å; W186-F505 AromaticContact NE1-CE1 3.91Å; W186-E506 HydrophobicContact CZ2-CG 4.16Å
187	T	87	Confident	87.6	Confident	117 Å²	117	58.2 Å²	58.2	72%	0.718	28%	0.277	S	S	*	.	H	α-helix	trans	-58.6	-41.8	-178.3	-54.5	0	0	0	0	112.1	K191	T187-K191 WeakPolarHBondContact O-CB 3.42Å; T187-K191 PolarHBondContact O-N 3.35Å
188	E	87.5	Confident	87.3	Confident	110 Å²	110	63.3 Å²	63.3	51%	0.514	30%	0.295	S	S	.	.	H	α-helix	trans	-71	-47	176.1	-64.6	-173.5	169.8	0	0	111.7	W186 K190 K191 Y192	W186-E188 VanDerWaalsContact C-N 3.29Å; W186-E188 PolarHBondContact O-N 3.27Å; E188-K190 PolarHBondContact O-N 2.95Å; E188-K191 WeakPolarHBondContact O-CB 3.25Å; E188-K191 PolarHBondContact O-N 2.9Å; E188-Y192 HydrophobicContact CB-CE2 3.95Å; E188-Y192 WeakPolarHBondContact O-CD2 3.32Å; E188-Y192 PolarHBondContact O-N 3.15Å
189	M	83.7	Confident	86.9	Confident	3 Å²	3	63.4 Å²	63.4	2%	0.015	30%	0.296	C	S	.	.	H	α-helix	trans	-64.5	-42.8	-179.7	-162.8	-143.1	-156.6	0	0	112.2	Y185 W186 K191 Y192 L193 A233 V234 F237 F501	Y185-M189 WeakPolarHBondContact O-CB 3.43Å; Y185-M189 PolarHBondContact O-N 3.23Å; W186-M189 HydrophobicContact CZ3-SD 4.39Å; W186-M189 PolarHBondContact O-N 3Å; M189-K191 VanDerWaalsContact C-N 3.31Å; M189-K191 PolarHBondContact O-N 3.1Å; M189-Y192 PolarHBondContact O-N 3.49Å; M189-Y192 VanDerWaalsContact O-N 3.15Å; M189-L193 HydrophobicContact CE-CD1 4.11Å; M189-L193 HydrophobicContact CG-CD1 4.13Å; M189-L193 HydrophobicContact CG-CG 4.35Å; M189-L193 WeakPolarHBondContact O-CB 3.29Å; M189-L193 WeakPolarHBondContact O-CG 3.36Å; M189-L193 PolarHBondContact O-N 3.02Å; M189-L193 HydrophobicContact SD-CD1 3.67Å; M189-L193 HydrophobicContact SD-CG 4.46Å; M189-A233 HydrophobicContact CB-CB 4.4Å; M189-A233 HydrophobicContact CG-CB 3.84Å; M189-V234 HydrophobicContact CE-CG2 4.35Å; M189-F237 HydrophobicContact CB-CE2 3.75Å; M189-F237 HydrophobicContact CB-CZ 3.89Å; M189-F237 HydrophobicContact CE-CB 4.33Å; M189-F237 HydrophobicContact CE-CD1 4.5Å; M189-F237 HydrophobicContact CE-CD2 3.54Å; M189-F237 HydrophobicContact CE-CE2 3.99Å; M189-F237 HydrophobicContact CE-CG 3.85Å; M189-F237 HydrophobicContact CG-CD2 4.28Å; M189-F237 HydrophobicContact CG-CE2 3.77Å; M189-F237 HydrophobicContact CG-CZ 4.16Å; M189-F237 HydrophobicContact SD-CD1 3.94Å; M189-F237 HydrophobicContact SD-CD2 3.4Å; M189-F237 WeakPolarHBondContact SD-CD2 3.5Å; M189-F237 HydrophobicContact SD-CE1 3.74Å; M189-F237 HydrophobicContact SD-CE2 3.24Å; M189-F237 WeakPolarHBondContact SD-CE2 3.35Å; M189-F237 HydrophobicContact SD-CG 3.78Å; M189-F237 HydrophobicContact SD-CZ 3.43Å; M189-F237 WeakPolarHBondContact SD-CZ 3.27Å; M189-F501 HydrophobicContact CE-CE1 3.94Å; M189-F501 HydrophobicContact CE-CZ 4.01Å; M189-F501 HydrophobicContact SD-CD1 4.48Å; M189-F501 HydrophobicContact SD-CE1 3.57Å; M189-F501 VanDerWaalsContact SD-CE1 3.57Å; M189-F501 HydrophobicContact SD-CZ 4.07Å
190	K	86.6	Confident	86.6	Confident	61 Å²	61	60.8 Å²	60.8	27%	0.265	28%	0.28	S	S	.	.	H	α-helix	trans	-56.5	-48.3	174.3	176.7	170.5	176.6	170.6	0	109.9	W186 E188 Y192 L193 D194 E506	W186-K190 HydrophobicContact CD2-CB 4.06Å; W186-K190 HydrophobicContact CE3-CB 4.15Å; W186-K190 HydrophobicContact CH2-CB 3.95Å; W186-K190 HydrophobicContact CH2-CD 4.48Å; W186-K190 HydrophobicContact CH2-CG 4.32Å; W186-K190 HydrophobicContact CZ2-CB 3.85Å; W186-K190 HydrophobicContact CZ2-CD 3.78Å; W186-K190 HydrophobicContact CZ2-CG 4.07Å; W186-K190 HydrophobicContact CZ3-CB 4.1Å; W186-K190 VanDerWaalsContact O-CB 3.25Å; W186-K190 WeakPolarHBondContact O-CB 3.36Å; W186-K190 PolarHBondContact O-N 3.35Å; E188-K190 PolarHBondContact O-N 2.95Å; K190-Y192 PolarHBondContact O-N 3.4Å; K190-L193 PolarHBondContact O-N 3.18Å; K190-D194 WeakPolarHBondContact CE-OD2 3.29Å; K190-D194 WeakPolarHBondContact CG-OD2 3.31Å; K190-D194 WeakPolarHBondContact O-CB 3.4Å; K190-D194 PolarHBondContact O-N 3.19Å; K190-E506 IonicContact NZ-OE1 3.86Å; K190-E506 PolarHBondContact NZ-OE1 3.43Å
191	K	89.6	Confident	86.1	Confident	129 Å²	129	58.9 Å²	58.9	56%	0.561	28%	0.275	S	S	*	.	H	α-helix	trans	-55.6	-49	174.5	-180	-176.7	175.3	-175.3	0	111.6	T187 E188 M189 L193 D194 D195	T187-K191 WeakPolarHBondContact O-CB 3.42Å; T187-K191 PolarHBondContact O-N 3.35Å; E188-K191 WeakPolarHBondContact O-CB 3.25Å; E188-K191 PolarHBondContact O-N 2.9Å; M189-K191 VanDerWaalsContact C-N 3.31Å; M189-K191 PolarHBondContact O-N 3.1Å; K191-L193 VanDerWaalsContact C-N 3.31Å; K191-L193 PolarHBondContact O-N 2.97Å; K191-D194 PolarHBondContact O-N 3.45Å; K191-D195 WeakPolarHBondContact CE-OD2 3.41Å; K191-D195 WeakPolarHBondContact CG-OD2 3.36Å; K191-D195 VanDerWaalsContact O-CB 3.27Å; K191-D195 WeakPolarHBondContact O-CB 3.5Å; K191-D195 VanDerWaalsContact O-CG 3.3Å; K191-D195 PolarHBondContact O-N 3.28Å
192	Y	89.6	Confident	85.9	Confident	52 Å²	52	62.8 Å²	62.8	20%	0.204	29%	0.293	C	S	.	.	H	α-helix	trans	-63.1	-35.5	179.6	-55.6	-36.1	0	0	0	113	E188 M189 K190 M196 N229 A233	E188-Y192 HydrophobicContact CB-CE2 3.95Å; E188-Y192 WeakPolarHBondContact O-CD2 3.32Å; E188-Y192 PolarHBondContact O-N 3.15Å; M189-Y192 PolarHBondContact O-N 3.49Å; M189-Y192 VanDerWaalsContact O-N 3.15Å; K190-Y192 PolarHBondContact O-N 3.4Å; Y192-M196 WeakPolarHBondContact O-CB 3.33Å; Y192-M196 PolarHBondContact O-N 3.09Å; Y192-N229 HydrophobicContact CD1-CB 3.76Å; Y192-N229 HydrophobicContact CD2-CB 3.79Å; Y192-N229 HydrophobicContact CE1-CB 3.88Å; Y192-N229 HydrophobicContact CE2-CB 3.9Å; Y192-N229 HydrophobicContact CG-CB 3.74Å; Y192-A233 HydrophobicContact CD2-CB 4.46Å
193	L	85.6	Confident	85.5	Confident	1 Å²	1	60.9 Å²	60.9	1%	0.005	29%	0.285	C	S	.	.	H	α-helix	trans	-75.8	-35.8	177	-68.8	175.3	0	0	0	112.9	M189 K190 K191 M196 H197 V230 F501 V502	M189-L193 HydrophobicContact CE-CD1 4.11Å; M189-L193 HydrophobicContact CG-CD1 4.13Å; M189-L193 HydrophobicContact CG-CG 4.35Å; M189-L193 WeakPolarHBondContact O-CB 3.29Å; M189-L193 WeakPolarHBondContact O-CG 3.36Å; M189-L193 PolarHBondContact O-N 3.02Å; M189-L193 HydrophobicContact SD-CD1 3.67Å; M189-L193 HydrophobicContact SD-CG 4.46Å; K190-L193 PolarHBondContact O-N 3.18Å; K191-L193 VanDerWaalsContact C-N 3.31Å; K191-L193 PolarHBondContact O-N 2.97Å; L193-M196 HydrophobicContact CD2-CE 3.6Å; L193-H197 VanDerWaalsContact O-CB 3.24Å; L193-H197 WeakPolarHBondContact O-CB 3.49Å; L193-H197 PolarHBondContact O-N 2.7Å; L193-V230 HydrophobicContact CD2-CG1 3.91Å; L193-V230 HydrophobicContact CD2-CG2 4.13Å; L193-F501 HydrophobicContact CD1-CD1 3.28Å; L193-F501 HydrophobicContact CD1-CE1 3.7Å; L193-F501 HydrophobicContact CD1-CG 4.17Å; L193-V502 HydrophobicContact CB-CG2 3.82Å; L193-V502 HydrophobicContact CD1-CG2 4.11Å
194	D	86.4	Confident	84.8	Confident	66 Å²	66	57.9 Å²	57.9	35%	0.353	28%	0.276	S	S	.	.	H	α-helix	trans	-69.8	-42	173.5	-74.5	-23.8	0	0	0	110.8	K190 K191 H197 R198	K190-D194 WeakPolarHBondContact CE-OD2 3.29Å; K190-D194 WeakPolarHBondContact CG-OD2 3.31Å; K190-D194 WeakPolarHBondContact O-CB 3.4Å; K190-D194 PolarHBondContact O-N 3.19Å; K191-D194 PolarHBondContact O-N 3.45Å; D194-H197 PolarHBondContact O-N 3.13Å; D194-R198 WeakPolarHBondContact O-CB 3.37Å; D194-R198 PolarHBondContact O-N 3.29Å
195	D	88.6	Confident	83.8	Confident	25 Å²	25	54 Å²	54	13%	0.134	26%	0.264	C	S	.	.	H	α-helix	trans	-61.8	-46.9	171.3	-75.8	-32.2	0	0	0	110.2	K191 H197 R198 I199 T226	K191-D195 WeakPolarHBondContact CE-OD2 3.41Å; K191-D195 WeakPolarHBondContact CG-OD2 3.36Å; K191-D195 VanDerWaalsContact O-CB 3.27Å; K191-D195 WeakPolarHBondContact O-CB 3.5Å; K191-D195 VanDerWaalsContact O-CG 3.3Å; K191-D195 PolarHBondContact O-N 3.28Å; D195-H197 VanDerWaalsContact C-N 3.33Å; D195-H197 PolarHBondContact O-N 2.97Å; D195-R198 WeakPolarHBondContact O-CB 3.44Å; D195-R198 PolarHBondContact O-N 3.46Å; D195-R198 VanDerWaalsContact O-N 3.17Å; D195-R198 IonicContact OD1-CZ 2.67Å; D195-R198 IonicContact OD1-NH1 2.67Å; D195-R198 PolarHBondContact OD1-NH1 2.88Å; D195-R198 IonicContact OD1-NH2 2.63Å; D195-R198 PolarHBondContact OD1-NH2 3.43Å; D195-I199 WeakPolarHBondContact O-CD1 3.43Å; D195-I199 VanDerWaalsContact O-CG1 3.24Å; D195-I199 WeakPolarHBondContact O-CG1 3.39Å; D195-I199 PolarHBondContact O-N 3.15Å; D195-T226 HydrophobicContact CB-CG2 3.87Å
196	M	86.4	Confident	82.7	Confident	0 Å²	0	59.8 Å²	59.8	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-60.2	-41.1	174.5	-173.3	177.9	68.1	0	0	111.8	Y192 L193 I199 F200 T226 F227 V230 F458 A498	Y192-M196 WeakPolarHBondContact O-CB 3.33Å; Y192-M196 PolarHBondContact O-N 3.09Å; L193-M196 HydrophobicContact CD2-CE 3.6Å; M196-I199 PolarHBondContact O-N 3.45Å; M196-F200 HydrophobicContact CE-CE2 3.86Å; M196-F200 HydrophobicContact CE-CZ 4.24Å; M196-F200 HydrophobicContact CG-CD1 4.25Å; M196-F200 HydrophobicContact CG-CD2 4.07Å; M196-F200 HydrophobicContact CG-CE1 3.79Å; M196-F200 HydrophobicContact CG-CE2 3.58Å; M196-F200 HydrophobicContact CG-CG 4.43Å; M196-F200 HydrophobicContact CG-CZ 3.44Å; M196-F200 VanDerWaalsContact CG-CZ 3.44Å; M196-F200 WeakPolarHBondContact O-CB 3.26Å; M196-F200 WeakPolarHBondContact O-CD1 3.42Å; M196-F200 WeakPolarHBondContact O-CD2 3.38Å; M196-F200 WeakPolarHBondContact O-CG 3.46Å; M196-F200 PolarHBondContact O-N 3.02Å; M196-F200 HydrophobicContact SD-CE1 4.42Å; M196-F200 HydrophobicContact SD-CE2 3.85Å; M196-F200 HydrophobicContact SD-CZ 3.61Å; M196-T226 HydrophobicContact CB-CG2 4.01Å; M196-F227 HydrophobicContact CG-CD1 4.08Å; M196-F227 HydrophobicContact CG-CE1 3.93Å; M196-F227 HydrophobicContact SD-CD1 4.22Å; M196-V230 HydrophobicContact CB-CG2 4.19Å; M196-V230 HydrophobicContact CE-CG1 4.22Å; M196-V230 HydrophobicContact CE-CG2 4.4Å; M196-V230 HydrophobicContact SD-CB 4.27Å; M196-V230 HydrophobicContact SD-CG1 4.03Å; M196-V230 HydrophobicContact SD-CG2 3.91Å; M196-F458 HydrophobicContact CE-CD1 3.9Å; M196-F458 HydrophobicContact CE-CE1 3.64Å; M196-F458 HydrophobicContact CE-CZ 4.29Å; M196-F458 HydrophobicContact SD-CD1 4.4Å; M196-F458 HydrophobicContact SD-CE1 4.48Å; M196-A498 HydrophobicContact CE-CB 3.54Å
197	H	84.3	Confident	81.9	Confident	39 Å²	39	64.5 Å²	64.5	18%	0.181	33%	0.334	C	S	.	.	H	α-helix	trans	-67.2	-36	175.9	-179.2	63.4	0	0	0	112.5	L193 D194 D195 F200 T201 I495 R499	L193-H197 VanDerWaalsContact O-CB 3.24Å; L193-H197 WeakPolarHBondContact O-CB 3.49Å; L193-H197 PolarHBondContact O-N 2.7Å; D194-H197 PolarHBondContact O-N 3.13Å; D195-H197 VanDerWaalsContact C-N 3.33Å; D195-H197 PolarHBondContact O-N 2.97Å; H197-F200 PolarHBondContact O-N 2.73Å; H197-T201 WeakPolarHBondContact O-CB 3.34Å; H197-T201 PolarHBondContact O-N 3.46Å; H197-T201 PolarHBondContact O-OG1 2.89Å; H197-I495 VanDerWaalsContact CE1-CG2 3.47Å; H197-I495 WeakPolarHBondContact CE1-CG2 3.32Å; H197-I495 PolarHBondContact CE1-O 3.49Å; H197-R499 PolarHBondContact NE2-NE 3.37Å; H197-R499 PolarHBondContact NE2-NH2 3.08Å
198	R	85.2	Confident	81.5	Confident	156 Å²	156	59.9 Å²	59.9	59%	0.589	31%	0.305	S	S	*	.	H	α-helix	trans	-64	-46.2	172.8	-175	175.1	68.8	-115.3	-6.6	111	D194 D195 F200 T201 H202	D194-R198 WeakPolarHBondContact O-CB 3.37Å; D194-R198 PolarHBondContact O-N 3.29Å; D195-R198 WeakPolarHBondContact O-CB 3.44Å; D195-R198 PolarHBondContact O-N 3.46Å; D195-R198 VanDerWaalsContact O-N 3.17Å; D195-R198 IonicContact OD1-CZ 2.67Å; D195-R198 IonicContact OD1-NH1 2.67Å; D195-R198 PolarHBondContact OD1-NH1 2.88Å; D195-R198 IonicContact OD1-NH2 2.63Å; D195-R198 PolarHBondContact OD1-NH2 3.43Å; R198-F200 PolarHBondContact O-N 3.41Å; R198-T201 PolarHBondContact O-N 3.13Å; R198-H202 WeakPolarHBondContact O-CB 3.42Å; R198-H202 PolarHBondContact O-N 3.44Å
199	I	84.9	Confident	81.3	Confident	8 Å²	8	58.3 Å²	58.3	4%	0.041	30%	0.304	C	S	.	.	H	α-helix	trans	-57	-50.8	174.3	-66.3	162	0	0	0	110.2	D195 M196 T201 H202 L203 Y223 T226 F227	D195-I199 WeakPolarHBondContact O-CD1 3.43Å; D195-I199 VanDerWaalsContact O-CG1 3.24Å; D195-I199 WeakPolarHBondContact O-CG1 3.39Å; D195-I199 PolarHBondContact O-N 3.15Å; M196-I199 PolarHBondContact O-N 3.45Å; I199-T201 VanDerWaalsContact C-N 3.27Å; I199-T201 PolarHBondContact O-N 2.86Å; I199-H202 PolarHBondContact O-N 3.47Å; I199-L203 HydrophobicContact CG2-CD1 3.67Å; I199-L203 HydrophobicContact CG2-CG 4.41Å; I199-L203 VanDerWaalsContact O-CG 3.28Å; I199-L203 WeakPolarHBondContact O-CG 3.34Å; I199-L203 PolarHBondContact O-N 2.86Å; I199-Y223 HydrophobicContact CB-CD1 4.27Å; I199-Y223 HydrophobicContact CB-CE1 4.42Å; I199-Y223 HydrophobicContact CD1-CD1 3.66Å; I199-Y223 HydrophobicContact CD1-CE1 4.39Å; I199-Y223 HydrophobicContact CD1-CG 4.1Å; I199-Y223 HydrophobicContact CG1-CD1 3.47Å; I199-Y223 VanDerWaalsContact CG1-CD1 3.47Å; I199-Y223 HydrophobicContact CG1-CE1 3.72Å; I199-Y223 HydrophobicContact CG1-CG 4.08Å; I199-Y223 HydrophobicContact CG2-CD1 3.84Å; I199-Y223 HydrophobicContact CG2-CD2 3.68Å; I199-Y223 HydrophobicContact CG2-CE1 4.13Å; I199-Y223 HydrophobicContact CG2-CE2 3.97Å; I199-Y223 HydrophobicContact CG2-CG 3.61Å; I199-T226 HydrophobicContact CD1-CG2 3.74Å; I199-F227 HydrophobicContact CG2-CE1 4.45Å; I199-F227 HydrophobicContact CG2-CZ 4.08Å
200	F	81.9	Confident	81.1	Confident	0 Å²	0	62.5 Å²	62.5	0%	0	33%	0.326	C	S	.	.	H	α-helix	trans	-59.9	-35.2	178.1	-69.7	-9.1	0	0	0	113.2	M196 H197 R198 V204 F227 F487 I495 A498	M196-F200 HydrophobicContact CE-CE2 3.86Å; M196-F200 HydrophobicContact CE-CZ 4.24Å; M196-F200 HydrophobicContact CG-CD1 4.25Å; M196-F200 HydrophobicContact CG-CD2 4.07Å; M196-F200 HydrophobicContact CG-CE1 3.79Å; M196-F200 HydrophobicContact CG-CE2 3.58Å; M196-F200 HydrophobicContact CG-CG 4.43Å; M196-F200 HydrophobicContact CG-CZ 3.44Å; M196-F200 VanDerWaalsContact CG-CZ 3.44Å; M196-F200 WeakPolarHBondContact O-CB 3.26Å; M196-F200 WeakPolarHBondContact O-CD1 3.42Å; M196-F200 WeakPolarHBondContact O-CD2 3.38Å; M196-F200 WeakPolarHBondContact O-CG 3.46Å; M196-F200 PolarHBondContact O-N 3.02Å; M196-F200 HydrophobicContact SD-CE1 4.42Å; M196-F200 HydrophobicContact SD-CE2 3.85Å; M196-F200 HydrophobicContact SD-CZ 3.61Å; H197-F200 PolarHBondContact O-N 2.73Å; R198-F200 PolarHBondContact O-N 3.41Å; F200-V204 VanDerWaalsContact O-CG2 3.27Å; F200-V204 WeakPolarHBondContact O-CG2 3.18Å; F200-F227 HydrophobicContact CD1-CE1 4.26Å; F200-F227 AromaticContact CE1-CE1 3.49Å; F200-F227 HydrophobicContact CE1-CE1 3.49Å; F200-F227 VanDerWaalsContact CE1-CE1 3.49Å; F200-F227 AromaticContact CE1-CZ 3.97Å; F200-F227 HydrophobicContact CE1-CZ 3.97Å; F200-F227 HydrophobicContact CZ-CE1 4.18Å; F200-F487 HydrophobicContact CB-CZ 4.19Å; F200-F487 HydrophobicContact CD1-CE1 4.21Å; F200-F487 AromaticContact CD1-CE2 3.69Å; F200-F487 HydrophobicContact CD1-CE2 3.69Å; F200-F487 AromaticContact CD1-CZ 3.21Å; F200-F487 HydrophobicContact CD1-CZ 3.21Å; F200-F487 AromaticContact CE1-CE2 3.61Å; F200-F487 HydrophobicContact CE1-CE2 3.61Å; F200-F487 AromaticContact CE1-CZ 3.61Å; F200-F487 HydrophobicContact CE1-CZ 3.61Å; F200-F487 AromaticContact CG-CZ 3.82Å; F200-F487 HydrophobicContact CG-CZ 3.82Å; F200-I495 HydrophobicContact CB-CB 4.33Å; F200-I495 HydrophobicContact CB-CD1 4.05Å; F200-I495 HydrophobicContact CB-CG1 3.82Å; F200-I495 HydrophobicContact CB-CG2 3.88Å; F200-I495 HydrophobicContact CD2-CB 4.08Å; F200-I495 HydrophobicContact CD2-CG1 3.81Å; F200-I495 HydrophobicContact CD2-CG2 4.22Å; F200-I495 HydrophobicContact CE2-CG1 4.47Å; F200-I495 HydrophobicContact CG-CG1 3.91Å; F200-A498 HydrophobicContact CD2-CB 4.46Å; F200-A498 HydrophobicContact CE2-CB 4.24Å
201	T	80	Confident	80.9	Confident	72 Å²	72	62.6 Å²	62.6	44%	0.442	33%	0.334	S	S	.	.	H	α-helix	trans	-74.5	-38.8	176.4	-54	0	0	0	0	111.5	H197 R198 I199 L203 V204	H197-T201 WeakPolarHBondContact O-CB 3.34Å; H197-T201 PolarHBondContact O-N 3.46Å; H197-T201 PolarHBondContact O-OG1 2.89Å; R198-T201 PolarHBondContact O-N 3.13Å; I199-T201 VanDerWaalsContact C-N 3.27Å; I199-T201 PolarHBondContact O-N 2.86Å; T201-L203 VanDerWaalsContact C-N 3.34Å; T201-L203 PolarHBondContact O-N 3.34Å; T201-V204 PolarHBondContact O-N 3.26Å
202	H	81.7	Confident	80.5	Confident	90 Å²	90	60.9 Å²	60.9	42%	0.417	33%	0.328	S	S	.	.	H	α-helix	trans	-64.2	-36.8	177.7	-175.3	-105.9	0	0	0	112.9	R198 I199 V204 T216 Y223	R198-H202 WeakPolarHBondContact O-CB 3.42Å; R198-H202 PolarHBondContact O-N 3.44Å; I199-H202 PolarHBondContact O-N 3.47Å; H202-V204 VanDerWaalsContact C-N 3.31Å; H202-V204 PolarHBondContact O-N 3.11Å; H202-T216 PolarHBondContact CE1-OG1 3.11Å; H202-T216 VanDerWaalsContact CE1-OG1 3.24Å; H202-Y223 PolarHBondContact CE1-OH 3.27Å; H202-Y223 PolarHBondContact ND1-OH 2.89Å
203	L	78.6	Confident	80.1	Confident	2 Å²	2	58.4 Å²	58.4	1%	0.01	32%	0.319	C	S	.	.	H	α-helix	trans	-74.2	-19.2	178.6	-67.4	165.4	0	0	0	113.5	I199 T201 T205 T216 Y223 F468 I484 F487 N488	I199-L203 HydrophobicContact CG2-CD1 3.67Å; I199-L203 HydrophobicContact CG2-CG 4.41Å; I199-L203 VanDerWaalsContact O-CG 3.28Å; I199-L203 WeakPolarHBondContact O-CG 3.34Å; I199-L203 PolarHBondContact O-N 2.86Å; T201-L203 VanDerWaalsContact C-N 3.34Å; T201-L203 PolarHBondContact O-N 3.34Å; L203-T205 VanDerWaalsContact C-N 3.32Å; L203-T205 PolarHBondContact O-N 3.25Å; L203-T205 VanDerWaalsContact O-N 3.1Å; L203-T216 HydrophobicContact CD2-CG2 4.08Å; L203-Y223 HydrophobicContact CD1-CE2 4.47Å; L203-Y223 HydrophobicContact CD2-CE2 4.06Å; L203-Y223 HydrophobicContact CG-CE2 4.37Å; L203-F468 HydrophobicContact CD1-CE1 3.97Å; L203-F468 HydrophobicContact CD1-CZ 3.61Å; L203-F468 HydrophobicContact CD2-CE1 3.94Å; L203-F468 HydrophobicContact CD2-CZ 4.2Å; L203-I484 HydrophobicContact CD2-CG1 3.89Å; L203-I484 WeakPolarHBondContact O-CG2 3.42Å; L203-F487 HydrophobicContact CB-CD1 3.63Å; L203-F487 HydrophobicContact CB-CE1 3.82Å; L203-F487 HydrophobicContact CD1-CD1 3.78Å; L203-F487 HydrophobicContact CD1-CD2 4.31Å; L203-F487 HydrophobicContact CD1-CE1 3.85Å; L203-F487 HydrophobicContact CD1-CE2 4.37Å; L203-F487 HydrophobicContact CD1-CG 4.05Å; L203-F487 HydrophobicContact CD1-CZ 4.18Å; L203-F487 HydrophobicContact CG-CD1 4.32Å; L203-N488 PolarHBondContact O-ND2 3.41Å; L203-N488 PolarHBondContact O-OD1 2.84Å; L203-N488 VanDerWaalsContact O-OD1 3.13Å
204	V	72.8	Confident	79.9	Confident	84 Å²	84	63.3 Å²	63.3	51%	0.509	34%	0.341	S	S	.	.			trans	-86.8	75.3	177.1	178.7	0	0	0	0	109.1	F200 T201 H202 N488 I495	F200-V204 VanDerWaalsContact O-CG2 3.27Å; F200-V204 WeakPolarHBondContact O-CG2 3.18Å; T201-V204 PolarHBondContact O-N 3.26Å; H202-V204 VanDerWaalsContact C-N 3.31Å; H202-V204 PolarHBondContact O-N 3.11Å; V204-N488 WeakPolarHBondContact CG2-OD1 3.24Å; V204-I495 HydrophobicContact CG2-CD1 3.87Å
205	T	67.4	Low	79.7	Confident	59 Å²	59	65.7 Å²	65.7	36%	0.362	35%	0.351	S	S	.	.			trans	-120	132.3	174	42.3	0	0	0	0	110.8	L203 S207	L203-T205 VanDerWaalsContact C-N 3.32Å; L203-T205 PolarHBondContact O-N 3.25Å; L203-T205 VanDerWaalsContact O-N 3.1Å; T205-S207 PolarHBondContact O-N 3.25Å
206	D	63.3	Low	79.5	Confident	169 Å²	169	65 Å²	65	90%	0.904	35%	0.347	S	S	*	.	S	Bend	trans	-79.3	105.7	174.6	-76.3	-33.2	0	0	0	109.6
207	S	68.3	Low	79.3	Confident	112 Å²	112	66.3 Å²	66.3	78%	0.783	36%	0.355	S	S	*	.	S	Bend	trans	60.3	61.5	176.6	-50.4	0	0	0	0	115.7	T205	T205-S207 PolarHBondContact O-N 3.25Å
208	P	78.4	Confident	79.3	Confident	19 Å²	19	72 Å²	72	12%	0.123	38%	0.382	C	S	.	.			trans	-59.6	143.2	178	23.5	-33.3	0	0	0	113.1	E212 I213 R481	P208-E212 HydrophobicContact CB-CB 4.35Å; P208-I213 HydrophobicContact CB-CD1 4.32Å; P208-I213 HydrophobicContact CB-CG1 3.96Å; P208-I213 HydrophobicContact CG-CD1 3.98Å; P208-I213 HydrophobicContact CG-CG1 4.05Å; P208-R481 VanDerWaalsContact O-CZ 3.3Å; P208-R481 PolarHBondContact O-NH1 3.19Å; P208-R481 PolarHBondContact O-NH2 3.31Å
209	T	83.2	Confident	79.4	Confident	78 Å²	78	66.4 Å²	66.4	48%	0.479	37%	0.367	S	S	.	.			trans	-71.2	162	175.1	64.4	0	0	0	0	111.7	S211 E212 I213	T209-S211 VanDerWaalsContact C-N 3.28Å; T209-S211 PolarHBondContact O-N 2.98Å; T209-E212 VanDerWaalsContact CB-OE2 3.3Å; T209-E212 WeakPolarHBondContact CB-OE2 3.28Å; T209-E212 WeakPolarHBondContact CG2-OE2 3.41Å; T209-E212 PolarHBondContact N-OE2 2.76Å; T209-E212 PolarHBondContact O-N 3.4Å; T209-E212 VanDerWaalsContact OG1-CD 3.26Å; T209-E212 VanDerWaalsContact OG1-CG 3.31Å; T209-E212 WeakPolarHBondContact OG1-CG 3.26Å; T209-E212 PolarHBondContact OG1-N 3.05Å; T209-E212 PolarHBondContact OG1-OE2 3.38Å; T209-I213 WeakPolarHBondContact O-CG1 3.32Å; T209-I213 PolarHBondContact O-N 3.36Å; T209-I213 VanDerWaalsContact O-N 3.1Å
210	D	81	Confident	79.5	Confident	90 Å²	90	66.3 Å²	66.3	48%	0.481	37%	0.366	S	S	.	.	H	α-helix	trans	-59.6	-38.6	-179.1	-69	-28.9	0	0	0	112.5	I213 E214 I477 R481	D210-I213 PolarHBondContact O-N 3.36Å; D210-E214 WeakPolarHBondContact O-CG 3.45Å; D210-E214 PolarHBondContact O-N 3.38Å; D210-I477 HydrophobicContact CB-CD1 4.3Å; D210-I477 HydrophobicContact CB-CG2 4.35Å; D210-I477 WeakPolarHBondContact OD1-CG2 3.39Å; D210-R481 IonicContact OD1-CZ 2.58Å; D210-R481 IonicContact OD1-NE 2.74Å; D210-R481 PolarHBondContact OD1-NE 3.25Å; D210-R481 IonicContact OD1-NH2 2.64Å; D210-R481 PolarHBondContact OD1-NH2 3.43Å
211	S	81.3	Confident	79.8	Confident	63 Å²	63	70.6 Å²	70.6	44%	0.441	39%	0.394	S	S	.	.	H	α-helix	trans	-68.9	-36.9	178.5	-170.4	0	0	0	0	113.2	T209 I213 E214 Q215	T209-S211 VanDerWaalsContact C-N 3.28Å; T209-S211 PolarHBondContact O-N 2.98Å; S211-I213 VanDerWaalsContact C-N 3.25Å; S211-I213 PolarHBondContact O-N 2.89Å; S211-E214 PolarHBondContact O-N 2.87Å; S211-Q215 WeakPolarHBondContact O-CG 3.39Å; S211-Q215 PolarHBondContact O-N 3.01Å
212	E	81.4	Confident	80.1	Confident	94 Å²	94	71.8 Å²	71.8	44%	0.439	40%	0.397	S	S	.	.	H	α-helix	trans	-65.3	-32.5	172.8	-71.4	164	135.7	0	0	111.3	P208 T209 T216	P208-E212 HydrophobicContact CB-CB 4.35Å; T209-E212 VanDerWaalsContact CB-OE2 3.3Å; T209-E212 WeakPolarHBondContact CB-OE2 3.28Å; T209-E212 WeakPolarHBondContact CG2-OE2 3.41Å; T209-E212 PolarHBondContact N-OE2 2.76Å; T209-E212 PolarHBondContact O-N 3.4Å; T209-E212 VanDerWaalsContact OG1-CD 3.26Å; T209-E212 VanDerWaalsContact OG1-CG 3.31Å; T209-E212 WeakPolarHBondContact OG1-CG 3.26Å; T209-E212 PolarHBondContact OG1-N 3.05Å; T209-E212 PolarHBondContact OG1-OE2 3.38Å; E212-T216 VanDerWaalsContact O-CB 3.27Å; E212-T216 WeakPolarHBondContact O-CB 3.46Å; E212-T216 PolarHBondContact O-N 3.04Å; E212-T216 PolarHBondContact O-OG1 3.38Å
213	I	81.9	Confident	80.5	Confident	0 Å²	0	68.2 Å²	68.2	0%	0	38%	0.381	C	S	.	.	H	α-helix	trans	-74.3	-39.8	176.5	-65.8	-175.9	0	0	0	111.9	P208 T209 D210 S211 Q215 T216 V217 I477 A480 R481 I484	P208-I213 HydrophobicContact CB-CD1 4.32Å; P208-I213 HydrophobicContact CB-CG1 3.96Å; P208-I213 HydrophobicContact CG-CD1 3.98Å; P208-I213 HydrophobicContact CG-CG1 4.05Å; T209-I213 WeakPolarHBondContact O-CG1 3.32Å; T209-I213 PolarHBondContact O-N 3.36Å; T209-I213 VanDerWaalsContact O-N 3.1Å; D210-I213 PolarHBondContact O-N 3.36Å; S211-I213 VanDerWaalsContact C-N 3.25Å; S211-I213 PolarHBondContact O-N 2.89Å; I213-Q215 PolarHBondContact O-N 3.41Å; I213-T216 WeakPolarHBondContact O-CB 3.3Å; I213-T216 PolarHBondContact O-N 3.04Å; I213-T216 VanDerWaalsContact O-N 3.16Å; I213-V217 HydrophobicContact CG2-CG2 4.26Å; I213-V217 VanDerWaalsContact O-CG2 3.31Å; I213-V217 WeakPolarHBondContact O-CG2 3.24Å; I213-V217 PolarHBondContact O-N 3.4Å; I213-I477 HydrophobicContact CB-CG2 4.33Å; I213-I477 HydrophobicContact CG2-CG2 3.99Å; I213-A480 HydrophobicContact CG2-CB 3.62Å; I213-R481 HydrophobicContact CD1-CB 4.38Å; I213-R481 HydrophobicContact CD1-CG 3.18Å; I213-I484 HydrophobicContact CG1-CD1 4.31Å
214	E	81.9	Confident	81	Confident	103 Å²	103	69 Å²	69	48%	0.481	39%	0.385	S	S	.	.	H	α-helix	trans	-56.2	-49.6	172.9	-72.8	178.1	150.8	0	0	111.1	D210 S211 T216 V217 E218 I477	D210-E214 WeakPolarHBondContact O-CG 3.45Å; D210-E214 PolarHBondContact O-N 3.38Å; S211-E214 PolarHBondContact O-N 2.87Å; E214-T216 VanDerWaalsContact C-N 3.31Å; E214-T216 PolarHBondContact O-N 2.78Å; E214-V217 PolarHBondContact O-N 3.43Å; E214-E218 PolarHBondContact O-N 2.8Å; E214-E218 VanDerWaalsContact O-N 3.07Å; E214-I477 HydrophobicContact CG-CD1 3.92Å; E214-I477 HydrophobicContact CG-CG1 4.06Å
215	Q	81.6	Confident	81.9	Confident	117 Å²	117	70.9 Å²	70.9	55%	0.547	39%	0.386	S	S	.	.	H	α-helix	trans	-62	-36.5	175.4	-66.2	174.8	20.3	0	0	112.8	S211 I213 S219	S211-Q215 WeakPolarHBondContact O-CG 3.39Å; S211-Q215 PolarHBondContact O-N 3.01Å; I213-Q215 PolarHBondContact O-N 3.41Å; Q215-S219 PolarHBondContact O-N 3.43Å; Q215-S219 PolarHBondContact O-OG 2.67Å; Q215-S219 VanDerWaalsContact O-OG 3.12Å
216	T	83.5	Confident	83	Confident	10 Å²	10	68.8 Å²	68.8	6%	0.061	37%	0.374	C	S	.	.	H	α-helix	trans	-65.6	-41.3	175.9	-63.9	0	0	0	0	111.5	H202 L203 E212 I213 E214 S219 F220 Y223 I484	H202-T216 PolarHBondContact CE1-OG1 3.11Å; H202-T216 VanDerWaalsContact CE1-OG1 3.24Å; L203-T216 HydrophobicContact CD2-CG2 4.08Å; E212-T216 VanDerWaalsContact O-CB 3.27Å; E212-T216 WeakPolarHBondContact O-CB 3.46Å; E212-T216 PolarHBondContact O-N 3.04Å; E212-T216 PolarHBondContact O-OG1 3.38Å; I213-T216 WeakPolarHBondContact O-CB 3.3Å; I213-T216 PolarHBondContact O-N 3.04Å; I213-T216 VanDerWaalsContact O-N 3.16Å; E214-T216 VanDerWaalsContact C-N 3.31Å; E214-T216 PolarHBondContact O-N 2.78Å; T216-S219 WeakPolarHBondContact O-CB 3.34Å; T216-S219 PolarHBondContact O-N 3.01Å; T216-F220 HydrophobicContact CG2-CD1 4.38Å; T216-F220 HydrophobicContact CG2-CE1 3.56Å; T216-F220 HydrophobicContact CG2-CZ 4.25Å; T216-F220 WeakPolarHBondContact O-CD1 3.14Å; T216-F220 WeakPolarHBondContact O-CE1 3.2Å; T216-F220 PolarHBondContact O-N 3.26Å; T216-Y223 HydrophobicContact CG2-CE2 4.39Å; T216-I484 HydrophobicContact CG2-CD1 3.95Å
217	V	83.8	Confident	84.3	Confident	28 Å²	28	60.8 Å²	60.8	17%	0.17	33%	0.331	C	S	.	.	H	α-helix	trans	-66.3	-39.7	177.7	168.6	0	0	0	0	111.9	I213 E214 S219 F220 A480	I213-V217 HydrophobicContact CG2-CG2 4.26Å; I213-V217 VanDerWaalsContact O-CG2 3.31Å; I213-V217 WeakPolarHBondContact O-CG2 3.24Å; I213-V217 PolarHBondContact O-N 3.4Å; E214-V217 PolarHBondContact O-N 3.43Å; V217-S219 PolarHBondContact O-N 2.72Å; V217-F220 HydrophobicContact CG2-CE2 4.18Å; V217-F220 HydrophobicContact CG2-CZ 4.37Å; V217-F220 WeakPolarHBondContact O-CB 3.41Å; V217-F220 PolarHBondContact O-N 3.49Å; V217-A480 HydrophobicContact CG2-CB 3.25Å
218	E	83.3	Confident	85.4	Confident	157 Å²	157	59 Å²	59	73%	0.734	31%	0.31	S	S	*	.	H	α-helix	trans	-58.1	-29.1	173.7	-70.8	-177.9	167.3	0	0	112.4	E214 P221	E214-E218 PolarHBondContact O-N 2.8Å; E214-E218 VanDerWaalsContact O-N 3.07Å; E218-P221 WeakPolarHBondContact O-CD 3.37Å
219	S	86.4	Confident	86	Confident	40 Å²	40	59.9 Å²	59.9	28%	0.28	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.6	-10.1	178.7	-54.8	0	0	0	0	114.4	Q215 T216 V217 D222 Y223	Q215-S219 PolarHBondContact O-N 3.43Å; Q215-S219 PolarHBondContact O-OG 2.67Å; Q215-S219 VanDerWaalsContact O-OG 3.12Å; T216-S219 WeakPolarHBondContact O-CB 3.34Å; T216-S219 PolarHBondContact O-N 3.01Å; V217-S219 PolarHBondContact O-N 2.72Å; S219-D222 PolarHBondContact O-N 3.43Å; S219-D222 VanDerWaalsContact O-N 3.11Å; S219-Y223 VanDerWaalsContact CB-CZ 3.49Å; S219-Y223 WeakPolarHBondContact CB-OH 3.49Å; S219-Y223 WeakPolarHBondContact O-CD1 3.43Å; S219-Y223 PolarHBondContact O-N 2.59Å; S219-Y223 VanDerWaalsContact O-N 3.11Å
220	F	87.4	Confident	86.3	Confident	5 Å²	5	56.2 Å²	56.2	2%	0.022	29%	0.291	C	S	.	.	H	α-helix	trans	-59.1	-39	-175	-79	7.2	0	0	0	115.2	T216 V217 D222 Y223 V224 F468 I470 A480 V483	T216-F220 HydrophobicContact CG2-CD1 4.38Å; T216-F220 HydrophobicContact CG2-CE1 3.56Å; T216-F220 HydrophobicContact CG2-CZ 4.25Å; T216-F220 WeakPolarHBondContact O-CD1 3.14Å; T216-F220 WeakPolarHBondContact O-CE1 3.2Å; T216-F220 PolarHBondContact O-N 3.26Å; V217-F220 HydrophobicContact CG2-CE2 4.18Å; V217-F220 HydrophobicContact CG2-CZ 4.37Å; V217-F220 WeakPolarHBondContact O-CB 3.41Å; V217-F220 PolarHBondContact O-N 3.49Å; F220-D222 VanDerWaalsContact C-N 3.28Å; F220-D222 PolarHBondContact O-N 3.46Å; F220-Y223 AromaticContact CD1-CD2 3.59Å; F220-Y223 HydrophobicContact CD1-CD2 3.59Å; F220-Y223 AromaticContact CD1-CE2 3.63Å; F220-Y223 HydrophobicContact CD1-CE2 3.63Å; F220-Y223 HydrophobicContact CE1-CD2 4.02Å; F220-Y223 AromaticContact CE1-CE2 3.82Å; F220-Y223 HydrophobicContact CE1-CE2 3.82Å; F220-Y223 WeakPolarHBondContact O-CB 3.48Å; F220-Y223 PolarHBondContact O-N 3.24Å; F220-Y223 VanDerWaalsContact O-N 3.07Å; F220-V224 WeakPolarHBondContact O-CG2 3.45Å; F220-V224 PolarHBondContact O-N 3.4Å; F220-F468 WeakPolarHBondContact CB-O 3.39Å; F220-F468 AromaticContact CD1-CD1 3.64Å; F220-F468 HydrophobicContact CD1-CD1 3.64Å; F220-F468 HydrophobicContact CD1-CE1 4.08Å; F220-F468 AromaticContact CD2-CD1 4Å; F220-F468 HydrophobicContact CD2-CD1 4Å; F220-F468 AromaticContact CE1-CD1 3.55Å; F220-F468 HydrophobicContact CE1-CD1 3.55Å; F220-F468 AromaticContact CE1-CE1 3.56Å; F220-F468 HydrophobicContact CE1-CE1 3.56Å; F220-F468 AromaticContact CE2-CD1 3.95Å; F220-F468 HydrophobicContact CE2-CD1 3.95Å; F220-F468 HydrophobicContact CE2-CE1 4.38Å; F220-F468 AromaticContact CG-CD1 3.86Å; F220-F468 HydrophobicContact CG-CD1 3.86Å; F220-F468 AromaticContact CZ-CD1 3.74Å; F220-F468 HydrophobicContact CZ-CD1 3.74Å; F220-F468 AromaticContact CZ-CE1 3.75Å; F220-F468 HydrophobicContact CZ-CE1 3.75Å; F220-I470 HydrophobicContact CD2-CD1 3.94Å; F220-I470 HydrophobicContact CD2-CG1 4.19Å; F220-I470 HydrophobicContact CE2-CD1 3.58Å; F220-I470 HydrophobicContact CE2-CG1 4.26Å; F220-A480 HydrophobicContact CE2-CB 4.25Å; F220-A480 HydrophobicContact CZ-CB 4.3Å; F220-V483 HydrophobicContact CE2-CG1 4.49Å; F220-V483 HydrophobicContact CZ-CG1 4.49Å
221	P	87.7	Confident	86.8	Confident	90 Å²	90	54.5 Å²	54.5	58%	0.584	28%	0.281	S	S	*	.	H	α-helix	trans	-59.5	-37	174.2	-25.5	36.2	0	0	0	113.2	E218 Y223 K225	E218-P221 WeakPolarHBondContact O-CD 3.37Å; P221-Y223 VanDerWaalsContact C-N 3.34Å; P221-K225 WeakPolarHBondContact O-CB 3.15Å; P221-K225 PolarHBondContact O-N 3.3Å
222	D	87.4	Confident	87.2	Confident	97 Å²	97	57.3 Å²	57.3	52%	0.519	29%	0.285	S	S	.	.	H	α-helix	trans	-72.4	-29.4	175.3	-77.5	-36.2	0	0	0	112	S219 F220 T226	S219-D222 PolarHBondContact O-N 3.43Å; S219-D222 VanDerWaalsContact O-N 3.11Å; F220-D222 VanDerWaalsContact C-N 3.28Å; F220-D222 PolarHBondContact O-N 3.46Å; D222-T226 WeakPolarHBondContact O-CB 3.22Å; D222-T226 PolarHBondContact O-N 3.02Å; D222-T226 PolarHBondContact O-OG1 3.09Å
223	Y	89.6	Confident	87.5	Confident	16 Å²	16	53.2 Å²	53.2	6%	0.063	27%	0.267	C	S	.	.	H	α-helix	trans	-67.8	-47.7	173.7	-59.5	-2.1	0	0	0	110.9	I199 H202 L203 T216 S219 F220 P221 K225 T226 F227 F468	I199-Y223 HydrophobicContact CB-CD1 4.27Å; I199-Y223 HydrophobicContact CB-CE1 4.42Å; I199-Y223 HydrophobicContact CD1-CD1 3.66Å; I199-Y223 HydrophobicContact CD1-CE1 4.39Å; I199-Y223 HydrophobicContact CD1-CG 4.1Å; I199-Y223 HydrophobicContact CG1-CD1 3.47Å; I199-Y223 VanDerWaalsContact CG1-CD1 3.47Å; I199-Y223 HydrophobicContact CG1-CE1 3.72Å; I199-Y223 HydrophobicContact CG1-CG 4.08Å; I199-Y223 HydrophobicContact CG2-CD1 3.84Å; I199-Y223 HydrophobicContact CG2-CD2 3.68Å; I199-Y223 HydrophobicContact CG2-CE1 4.13Å; I199-Y223 HydrophobicContact CG2-CE2 3.97Å; I199-Y223 HydrophobicContact CG2-CG 3.61Å; H202-Y223 PolarHBondContact CE1-OH 3.27Å; H202-Y223 PolarHBondContact ND1-OH 2.89Å; L203-Y223 HydrophobicContact CD1-CE2 4.47Å; L203-Y223 HydrophobicContact CD2-CE2 4.06Å; L203-Y223 HydrophobicContact CG-CE2 4.37Å; T216-Y223 HydrophobicContact CG2-CE2 4.39Å; S219-Y223 VanDerWaalsContact CB-CZ 3.49Å; S219-Y223 WeakPolarHBondContact CB-OH 3.49Å; S219-Y223 WeakPolarHBondContact O-CD1 3.43Å; S219-Y223 PolarHBondContact O-N 2.59Å; S219-Y223 VanDerWaalsContact O-N 3.11Å; F220-Y223 AromaticContact CD1-CD2 3.59Å; F220-Y223 HydrophobicContact CD1-CD2 3.59Å; F220-Y223 AromaticContact CD1-CE2 3.63Å; F220-Y223 HydrophobicContact CD1-CE2 3.63Å; F220-Y223 HydrophobicContact CE1-CD2 4.02Å; F220-Y223 AromaticContact CE1-CE2 3.82Å; F220-Y223 HydrophobicContact CE1-CE2 3.82Å; F220-Y223 WeakPolarHBondContact O-CB 3.48Å; F220-Y223 PolarHBondContact O-N 3.24Å; F220-Y223 VanDerWaalsContact O-N 3.07Å; P221-Y223 VanDerWaalsContact C-N 3.34Å; Y223-K225 PolarHBondContact O-N 3.15Å; Y223-T226 WeakPolarHBondContact O-CB 3.47Å; Y223-T226 PolarHBondContact O-N 2.97Å; Y223-T226 VanDerWaalsContact O-N 3.13Å; Y223-F227 VanDerWaalsContact O-CD2 3.24Å; Y223-F227 WeakPolarHBondContact O-CD2 3.22Å; Y223-F227 VanDerWaalsContact O-CG 3.3Å; Y223-F227 WeakPolarHBondContact O-CG 3.48Å; Y223-F227 PolarHBondContact O-N 3.48Å; Y223-F468 AromaticContact CD2-CD1 3.89Å; Y223-F468 HydrophobicContact CD2-CD1 3.89Å; Y223-F468 AromaticContact CD2-CE1 3.94Å; Y223-F468 HydrophobicContact CD2-CE1 3.94Å; Y223-F468 HydrophobicContact CE2-CE1 4.48Å
224	V	89.2	Confident	87.8	Confident	18 Å²	18	53.3 Å²	53.3	11%	0.109	27%	0.268	C	S	.	.	H	α-helix	trans	-55.1	-50.7	174	170.2	0	0	0	0	110.6	F220 T226 F227 E228 I465 F468	F220-V224 WeakPolarHBondContact O-CG2 3.45Å; F220-V224 PolarHBondContact O-N 3.4Å; V224-T226 VanDerWaalsContact C-N 3.28Å; V224-T226 PolarHBondContact O-N 2.98Å; V224-F227 PolarHBondContact O-N 3.4Å; V224-E228 PolarHBondContact O-N 3.03Å; V224-I465 HydrophobicContact CG1-CG2 4.06Å; V224-F468 HydrophobicContact CG2-CB 3.74Å
225	K	91.2	Very high	88.1	Confident	123 Å²	123	51.5 Å²	51.5	54%	0.535	27%	0.265	S	S	.	.	H	α-helix	trans	-58.6	-37.8	176.7	-176.8	177.8	178.6	-177.2	0	112.7	P221 Y223 N229	P221-K225 WeakPolarHBondContact O-CB 3.15Å; P221-K225 PolarHBondContact O-N 3.3Å; Y223-K225 PolarHBondContact O-N 3.15Å; K225-N229 WeakPolarHBondContact O-CB 3.42Å; K225-N229 PolarHBondContact O-N 3.01Å; K225-N229 PolarHBondContact O-ND2 3.5Å
226	T	90.8	Very high	88.4	Confident	16 Å²	16	50.2 Å²	50.2	10%	0.098	26%	0.256	C	S	.	.	H	α-helix	trans	-68.3	-44.5	176.9	-58.6	0	0	0	0	111.4	D195 M196 I199 D222 Y223 V224 N229 V230	D195-T226 HydrophobicContact CB-CG2 3.87Å; M196-T226 HydrophobicContact CB-CG2 4.01Å; I199-T226 HydrophobicContact CD1-CG2 3.74Å; D222-T226 WeakPolarHBondContact O-CB 3.22Å; D222-T226 PolarHBondContact O-N 3.02Å; D222-T226 PolarHBondContact O-OG1 3.09Å; Y223-T226 WeakPolarHBondContact O-CB 3.47Å; Y223-T226 PolarHBondContact O-N 2.97Å; Y223-T226 VanDerWaalsContact O-N 3.13Å; V224-T226 VanDerWaalsContact C-N 3.28Å; V224-T226 PolarHBondContact O-N 2.98Å; T226-N229 PolarHBondContact O-N 3.39Å; T226-V230 WeakPolarHBondContact O-CG2 3.48Å; T226-V230 PolarHBondContact O-N 2.95Å
227	F	90.6	Very high	88.4	Confident	0 Å²	0	49.9 Å²	49.9	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-62.5	-42.9	175.3	-58.2	-35.4	0	0	0	111.9	M196 I199 F200 Y223 V224 N229 V230 Q231 L461 L464 I465 F468	M196-F227 HydrophobicContact CG-CD1 4.08Å; M196-F227 HydrophobicContact CG-CE1 3.93Å; M196-F227 HydrophobicContact SD-CD1 4.22Å; I199-F227 HydrophobicContact CG2-CE1 4.45Å; I199-F227 HydrophobicContact CG2-CZ 4.08Å; F200-F227 HydrophobicContact CD1-CE1 4.26Å; F200-F227 AromaticContact CE1-CE1 3.49Å; F200-F227 HydrophobicContact CE1-CE1 3.49Å; F200-F227 VanDerWaalsContact CE1-CE1 3.49Å; F200-F227 AromaticContact CE1-CZ 3.97Å; F200-F227 HydrophobicContact CE1-CZ 3.97Å; F200-F227 HydrophobicContact CZ-CE1 4.18Å; Y223-F227 VanDerWaalsContact O-CD2 3.24Å; Y223-F227 WeakPolarHBondContact O-CD2 3.22Å; Y223-F227 VanDerWaalsContact O-CG 3.3Å; Y223-F227 WeakPolarHBondContact O-CG 3.48Å; Y223-F227 PolarHBondContact O-N 3.48Å; V224-F227 PolarHBondContact O-N 3.4Å; F227-N229 VanDerWaalsContact C-N 3.31Å; F227-N229 PolarHBondContact O-N 3.41Å; F227-V230 PolarHBondContact O-N 3.41Å; F227-Q231 WeakPolarHBondContact O-CB 3.32Å; F227-Q231 PolarHBondContact O-N 2.98Å; F227-L461 HydrophobicContact CB-CB 4.22Å; F227-L461 HydrophobicContact CB-CD1 4.06Å; F227-L461 WeakPolarHBondContact O-CD1 3.29Å; F227-L464 HydrophobicContact CD2-CB 3.88Å; F227-L464 HydrophobicContact CE2-CB 4.01Å; F227-L464 HydrophobicContact CG-CB 4.43Å; F227-I465 HydrophobicContact CB-CD1 4.35Å; F227-I465 HydrophobicContact CB-CG1 3.85Å; F227-F468 AromaticContact CE2-CD2 3.73Å; F227-F468 HydrophobicContact CE2-CD2 3.73Å; F227-F468 HydrophobicContact CE2-CE2 4.13Å; F227-F468 HydrophobicContact CE2-CG 4.23Å; F227-F468 HydrophobicContact CZ-CD2 4.5Å; F227-F468 HydrophobicContact CZ-CE2 4.48Å
228	E	91.3	Very high	88.6	Confident	76 Å²	76	51.9 Å²	51.9	36%	0.355	26%	0.261	S	S	.	.	H	α-helix	trans	-57.4	-43.5	173.1	-77.5	-168.7	-165.1	0	0	112.6	V224 Q231 K232 I465	V224-E228 PolarHBondContact O-N 3.03Å; E228-Q231 PolarHBondContact O-N 3.02Å; E228-K232 WeakPolarHBondContact O-CB 3.2Å; E228-K232 WeakPolarHBondContact O-CD 3.44Å; E228-K232 WeakPolarHBondContact O-CG 3.38Å; E228-K232 PolarHBondContact O-N 3.08Å; E228-K232 IonicContact OE2-NZ 2.69Å; E228-K232 PolarHBondContact OE2-NZ 3.09Å; E228-I465 HydrophobicContact CG-CD1 3.88Å; E228-I465 HydrophobicContact CG-CG1 4.39Å
229	N	90.9	Very high	88.9	Confident	37 Å²	37	48.2 Å²	48.2	20%	0.198	24%	0.244	C	C	.	.	H	α-helix	trans	-67.5	-40.2	-179.5	-69.5	-19.1	0	0	0	111.9	Y192 K225 T226 F227 K232 A233	Y192-N229 HydrophobicContact CD1-CB 3.76Å; Y192-N229 HydrophobicContact CD2-CB 3.79Å; Y192-N229 HydrophobicContact CE1-CB 3.88Å; Y192-N229 HydrophobicContact CE2-CB 3.9Å; Y192-N229 HydrophobicContact CG-CB 3.74Å; K225-N229 WeakPolarHBondContact O-CB 3.42Å; K225-N229 PolarHBondContact O-N 3.01Å; K225-N229 PolarHBondContact O-ND2 3.5Å; T226-N229 PolarHBondContact O-N 3.39Å; F227-N229 VanDerWaalsContact C-N 3.31Å; F227-N229 PolarHBondContact O-N 3.41Å; N229-K232 PolarHBondContact O-N 3.12Å; N229-A233 WeakPolarHBondContact O-CB 3.43Å; N229-A233 PolarHBondContact O-N 3.1Å
230	V	89.9	Confident	89.1	Confident	0 Å²	0	46.5 Å²	46.5	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-61.2	-48.8	171.9	173.3	0	0	0	0	110.6	L193 M196 T226 F227 K232 A233 V234 F458 L461	L193-V230 HydrophobicContact CD2-CG1 3.91Å; L193-V230 HydrophobicContact CD2-CG2 4.13Å; M196-V230 HydrophobicContact CB-CG2 4.19Å; M196-V230 HydrophobicContact CE-CG1 4.22Å; M196-V230 HydrophobicContact CE-CG2 4.4Å; M196-V230 HydrophobicContact SD-CB 4.27Å; M196-V230 HydrophobicContact SD-CG1 4.03Å; M196-V230 HydrophobicContact SD-CG2 3.91Å; T226-V230 WeakPolarHBondContact O-CG2 3.48Å; T226-V230 PolarHBondContact O-N 2.95Å; F227-V230 PolarHBondContact O-N 3.41Å; V230-K232 VanDerWaalsContact C-N 3.32Å; V230-K232 PolarHBondContact O-N 3.2Å; V230-A233 PolarHBondContact O-N 3.29Å; V230-V234 HydrophobicContact CG1-CG2 4.38Å; V230-V234 WeakPolarHBondContact O-CG2 3.27Å; V230-V234 PolarHBondContact O-N 3.17Å; V230-V234 VanDerWaalsContact O-N 3.08Å; V230-F458 HydrophobicContact CG1-CB 4.12Å; V230-F458 HydrophobicContact CG1-CG 4.48Å; V230-L461 HydrophobicContact CB-CD1 4.01Å; V230-L461 HydrophobicContact CG1-CD1 3.93Å
231	Q	91.4	Very high	89.2	Confident	55 Å²	55	46.9 Å²	46.9	26%	0.257	24%	0.235	S	C	.	.	H	α-helix	trans	-60.6	-39.7	179.9	-177.8	166.7	-29.2	0	0	112.2	F227 E228 A233 P235 K459 L461	F227-Q231 WeakPolarHBondContact O-CB 3.32Å; F227-Q231 PolarHBondContact O-N 2.98Å; E228-Q231 PolarHBondContact O-N 3.02Å; Q231-A233 VanDerWaalsContact C-N 3.33Å; Q231-A233 PolarHBondContact O-N 2.98Å; Q231-P235 WeakPolarHBondContact O-CD 3.39Å; Q231-K459 WeakPolarHBondContact CG-O 3.45Å; Q231-L461 HydrophobicContact CB-CD1 4.25Å; Q231-L461 HydrophobicContact CB-CG 4.46Å
232	K	89.7	Confident	89.4	Confident	121 Å²	121	45.4 Å²	45.4	53%	0.526	22%	0.224	S	C	.	.	H	α-helix	trans	-67.2	-29.3	174.2	-70.9	162.7	-166.2	163.7	0	113	E228 N229 V230	E228-K232 WeakPolarHBondContact O-CB 3.2Å; E228-K232 WeakPolarHBondContact O-CD 3.44Å; E228-K232 WeakPolarHBondContact O-CG 3.38Å; E228-K232 PolarHBondContact O-N 3.08Å; E228-K232 IonicContact OE2-NZ 2.69Å; E228-K232 PolarHBondContact OE2-NZ 3.09Å; N229-K232 PolarHBondContact O-N 3.12Å; V230-K232 VanDerWaalsContact C-N 3.32Å; V230-K232 PolarHBondContact O-N 3.2Å
233	A	87.4	Confident	89.7	Confident	9 Å²	9	41.1 Å²	41.1	7%	0.074	20%	0.201	C	C	.	.	H	α-helix	trans	-86.3	-27.9	-176.6	0	0	0	0	0	114.5	M189 Y192 N229 V230 Q231 P235 Y236	M189-A233 HydrophobicContact CB-CB 4.4Å; M189-A233 HydrophobicContact CG-CB 3.84Å; Y192-A233 HydrophobicContact CD2-CB 4.46Å; N229-A233 WeakPolarHBondContact O-CB 3.43Å; N229-A233 PolarHBondContact O-N 3.1Å; V230-A233 PolarHBondContact O-N 3.29Å; Q231-A233 VanDerWaalsContact C-N 3.33Å; Q231-A233 PolarHBondContact O-N 2.98Å; A233-P235 VanDerWaalsContact C-CD 3.48Å; A233-Y236 WeakPolarHBondContact O-CB 3.48Å; A233-Y236 WeakPolarHBondContact O-CD2 3.48Å; A233-Y236 PolarHBondContact O-N 2.86Å; A233-Y236 VanDerWaalsContact O-N 3.12Å
234	V	88.6	Confident	89.9	Confident	1 Å²	1	40.5 Å²	40.5	1%	0.006	20%	0.199	C	C	.	.	H	α-helix	trans	-52.5	-42.3	-178.3	165.3	0	0	0	0	114.6	M189 V230 Y236 F237 E238 I455 F458 K459	M189-V234 HydrophobicContact CE-CG2 4.35Å; V230-V234 HydrophobicContact CG1-CG2 4.38Å; V230-V234 WeakPolarHBondContact O-CG2 3.27Å; V230-V234 PolarHBondContact O-N 3.17Å; V230-V234 VanDerWaalsContact O-N 3.08Å; V234-Y236 PolarHBondContact O-N 2.84Å; V234-Y236 VanDerWaalsContact O-N 3.14Å; V234-F237 PolarHBondContact O-N 2.86Å; V234-E238 PolarHBondContact O-N 2.95Å; V234-I455 HydrophobicContact CG1-CD1 4.15Å; V234-I455 HydrophobicContact CG1-CG1 4.2Å; V234-I455 HydrophobicContact CG2-CG1 4.44Å; V234-F458 HydrophobicContact CG2-CB 3.55Å; V234-K459 HydrophobicContact CG1-CG 3.65Å
235	P	89.3	Confident	90.1	Very high	66 Å²	66	45.3 Å²	45.3	43%	0.429	22%	0.215	S	C	.	.	H	α-helix	trans	-60.6	-21.2	178.4	-26.7	36.4	0	0	0	115.6	Q231 A233 Q239	Q231-P235 WeakPolarHBondContact O-CD 3.39Å; A233-P235 VanDerWaalsContact C-CD 3.48Å; P235-Q239 PolarHBondContact O-NE2 2.76Å; P235-Q239 VanDerWaalsContact O-NE2 3.07Å
236	Y	86.4	Confident	90.2	Very high	89 Å²	89	43.1 Å²	43.1	35%	0.349	20%	0.204	S	C	.	.	H	α-helix	trans	-72.8	-35.7	174.3	-60.2	-60.4	0	0	0	111.8	Y185 A233 V234	Y185-Y236 HydrophobicContact CD1-CD2 4.3Å; Y185-Y236 HydrophobicContact CD1-CE2 4.34Å; Y185-Y236 HydrophobicContact CD2-CD1 4.26Å; Y185-Y236 HydrophobicContact CD2-CG 4.14Å; Y185-Y236 HydrophobicContact CE1-CD1 4.4Å; Y185-Y236 HydrophobicContact CE1-CE1 4.13Å; Y185-Y236 HydrophobicContact CE1-CE2 4.26Å; Y185-Y236 AromaticContact CE2-CD1 3.83Å; Y185-Y236 HydrophobicContact CE2-CD1 3.83Å; Y185-Y236 HydrophobicContact CE2-CE1 4.21Å; Y185-Y236 HydrophobicContact CE2-CG 4.19Å; Y185-Y236 HydrophobicContact CG-CD2 4.36Å; Y185-Y236 HydrophobicContact CG-CG 4.3Å; Y185-Y236 AromaticContact CZ-CD1 3.9Å; Y185-Y236 AromaticContact CZ-CE1 3.79Å; A233-Y236 WeakPolarHBondContact O-CB 3.48Å; A233-Y236 WeakPolarHBondContact O-CD2 3.48Å; A233-Y236 PolarHBondContact O-N 2.86Å; A233-Y236 VanDerWaalsContact O-N 3.12Å; V234-Y236 PolarHBondContact O-N 2.84Å; V234-Y236 VanDerWaalsContact O-N 3.14Å
237	F	84.8	Confident	90.3	Very high	3 Å²	3	42.4 Å²	42.4	1%	0.013	20%	0.199	C	C	.	.	H	α-helix	trans	-86.1	-28.7	-178	-70.6	-101.3	0	0	0	112.1	I181 W186 M189 V234 Q239 V240 V241 I455 F501 F505	I181-F237 HydrophobicContact CG2-CD1 4.41Å; I181-F237 HydrophobicContact CG2-CD2 4.35Å; I181-F237 HydrophobicContact CG2-CE1 4.18Å; I181-F237 HydrophobicContact CG2-CE2 4.07Å; I181-F237 HydrophobicContact CG2-CG 4.49Å; I181-F237 HydrophobicContact CG2-CZ 3.98Å; W186-F237 AromaticContact CE3-CE1 3.91Å; W186-F237 HydrophobicContact CE3-CE1 3.91Å; W186-F237 AromaticContact CE3-CZ 3.98Å; W186-F237 HydrophobicContact CE3-CZ 3.98Å; W186-F237 HydrophobicContact CZ3-CE1 4.4Å; M189-F237 HydrophobicContact CB-CE2 3.75Å; M189-F237 HydrophobicContact CB-CZ 3.89Å; M189-F237 HydrophobicContact CE-CB 4.33Å; M189-F237 HydrophobicContact CE-CD1 4.5Å; M189-F237 HydrophobicContact CE-CD2 3.54Å; M189-F237 HydrophobicContact CE-CE2 3.99Å; M189-F237 HydrophobicContact CE-CG 3.85Å; M189-F237 HydrophobicContact CG-CD2 4.28Å; M189-F237 HydrophobicContact CG-CE2 3.77Å; M189-F237 HydrophobicContact CG-CZ 4.16Å; M189-F237 HydrophobicContact SD-CD1 3.94Å; M189-F237 HydrophobicContact SD-CD2 3.4Å; M189-F237 WeakPolarHBondContact SD-CD2 3.5Å; M189-F237 HydrophobicContact SD-CE1 3.74Å; M189-F237 HydrophobicContact SD-CE2 3.24Å; M189-F237 WeakPolarHBondContact SD-CE2 3.35Å; M189-F237 HydrophobicContact SD-CG 3.78Å; M189-F237 HydrophobicContact SD-CZ 3.43Å; M189-F237 WeakPolarHBondContact SD-CZ 3.27Å; V234-F237 PolarHBondContact O-N 2.86Å; F237-Q239 PolarHBondContact O-N 2.83Å; F237-V240 WeakPolarHBondContact O-CB 3.46Å; F237-V240 PolarHBondContact O-N 3.27Å; F237-V241 WeakPolarHBondContact O-CG2 3.48Å; F237-V241 PolarHBondContact O-N 2.84Å; F237-I455 HydrophobicContact CB-CD1 3.64Å; F237-F501 HydrophobicContact CB-CZ 4.18Å; F237-F501 HydrophobicContact CD1-CE1 4.23Å; F237-F501 AromaticContact CD1-CZ 3.77Å; F237-F501 HydrophobicContact CD1-CZ 3.77Å; F237-F501 HydrophobicContact CG-CZ 4.09Å; F237-F505 HydrophobicContact CD1-CD2 4.09Å; F237-F505 AromaticContact CD1-CE2 3.73Å; F237-F505 HydrophobicContact CD1-CE2 3.73Å; F237-F505 HydrophobicContact CD1-CZ 4.48Å; F237-F505 AromaticContact CE1-CD2 3.97Å; F237-F505 HydrophobicContact CE1-CD2 3.97Å; F237-F505 AromaticContact CE1-CE2 3.41Å; F237-F505 HydrophobicContact CE1-CE2 3.41Å; F237-F505 VanDerWaalsContact CE1-CE2 3.41Å; F237-F505 AromaticContact CE1-CZ 3.73Å; F237-F505 HydrophobicContact CE1-CZ 3.73Å
238	E	88.1	Confident	90.5	Very high	71 Å²	71	44.9 Å²	44.9	33%	0.332	21%	0.21	S	C	.	.	H	α-helix	trans	-56	-34.9	169.5	175.1	161	-149.1	0	0	112.5	V234 V241 T242 K459	V234-E238 PolarHBondContact O-N 2.95Å; E238-V241 PolarHBondContact O-N 3.4Å; E238-T242 WeakPolarHBondContact O-CB 3.36Å; E238-T242 PolarHBondContact O-N 3.02Å; E238-T242 PolarHBondContact O-OG1 3.34Å; E238-K459 VanDerWaalsContact CD-CE 3.45Å; E238-K459 WeakPolarHBondContact OE1-CE 3.47Å; E238-K459 IonicContact OE1-NZ 2.66Å; E238-K459 PolarHBondContact OE1-NZ 3.33Å; E238-K459 WeakPolarHBondContact OE2-CE 3.41Å; E238-K459 IonicContact OE2-NZ 3.14Å; E238-K459 PolarHBondContact OE2-NZ 2.97Å; E238-K459 VanDerWaalsContact OE2-NZ 3.15Å
239	Q	88.5	Confident	90.6	Very high	79 Å²	79	45.7 Å²	45.7	37%	0.369	21%	0.214	S	C	.	.	H	α-helix	trans	-61.1	-47	173	-65.6	168.6	57.2	0	0	111.1	K177 P235 F237 T242 V243	K177-Q239 VanDerWaalsContact CE-OE1 3.24Å; P235-Q239 PolarHBondContact O-NE2 2.76Å; P235-Q239 VanDerWaalsContact O-NE2 3.07Å; F237-Q239 PolarHBondContact O-N 2.83Å; Q239-T242 PolarHBondContact O-N 2.88Å; Q239-V243 WeakPolarHBondContact O-CG2 3.42Å; Q239-V243 PolarHBondContact O-N 3.15Å
240	V	89.9	Confident	90.6	Very high	5 Å²	5	44 Å²	44	3%	0.03	21%	0.205	C	C	.	.	H	α-helix	trans	-61.3	-46.5	177.2	-178.7	0	0	0	0	111.3	F174 F178 I181 F237 T242 V243 L244	F174-V240 HydrophobicContact CD2-CG1 4.38Å; F174-V240 HydrophobicContact CE2-CG1 3.78Å; F178-V240 HydrophobicContact CB-CG1 4.25Å; F178-V240 HydrophobicContact CD2-CG1 3.93Å; I181-V240 HydrophobicContact CB-CG2 3.71Å; I181-V240 HydrophobicContact CG1-CG2 3.66Å; I181-V240 HydrophobicContact CG2-CG2 3.87Å; F237-V240 WeakPolarHBondContact O-CB 3.46Å; F237-V240 PolarHBondContact O-N 3.27Å; V240-T242 VanDerWaalsContact C-N 3.28Å; V240-T242 PolarHBondContact O-N 2.83Å; V240-V243 PolarHBondContact O-N 3.11Å; V240-L244 WeakPolarHBondContact O-CB 3.46Å; V240-L244 PolarHBondContact O-N 2.77Å
241	V	91.3	Very high	90.6	Very high	13 Å²	13	47 Å²	47	8%	0.079	22%	0.221	C	C	.	.	H	α-helix	trans	-62.6	-35.2	178.4	176.2	0	0	0	0	111.7	F237 E238 L244 R245 F452	F237-V241 WeakPolarHBondContact O-CG2 3.48Å; F237-V241 PolarHBondContact O-N 2.84Å; E238-V241 PolarHBondContact O-N 3.4Å; V241-L244 PolarHBondContact O-N 2.86Å; V241-R245 PolarHBondContact O-N 2.97Å; V241-F452 HydrophobicContact CG1-CB 4.3Å; V241-F452 HydrophobicContact CG2-CB 3.59Å; V241-F452 HydrophobicContact CG2-CD2 4.44Å; V241-F452 HydrophobicContact CG2-CG 4.16Å
242	T	91.9	Very high	90.4	Very high	59 Å²	59	47.8 Å²	47.8	36%	0.362	23%	0.226	S	C	.	.	H	α-helix	trans	-67.9	-40.7	178	-61.2	0	0	0	0	112.2	E238 Q239 V240	E238-T242 WeakPolarHBondContact O-CB 3.36Å; E238-T242 PolarHBondContact O-N 3.02Å; E238-T242 PolarHBondContact O-OG1 3.34Å; Q239-T242 PolarHBondContact O-N 2.88Å; V240-T242 VanDerWaalsContact C-N 3.28Å; V240-T242 PolarHBondContact O-N 2.83Å
243	V	93	Very high	90.4	Very high	7 Å²	7	44 Å²	44	4%	0.042	21%	0.211	C	C	.	.	H	α-helix	trans	-74.5	-36.2	174.5	-160.8	0	0	0	0	111.5	E173 F174 K177 Q239 V240 R245 R246 A247	E173-V243 HydrophobicContact CB-CG1 3.71Å; E173-V243 HydrophobicContact CG-CG1 3.8Å; E173-V243 WeakPolarHBondContact OE1-CG2 3.34Å; F174-V243 HydrophobicContact CB-CB 4.26Å; F174-V243 HydrophobicContact CB-CG1 3.84Å; F174-V243 VanDerWaalsContact N-CG1 3.31Å; K177-V243 HydrophobicContact CB-CG2 4.39Å; K177-V243 HydrophobicContact CG-CG2 4.22Å; Q239-V243 WeakPolarHBondContact O-CG2 3.42Å; Q239-V243 PolarHBondContact O-N 3.15Å; V240-V243 PolarHBondContact O-N 3.11Å; V243-R245 VanDerWaalsContact C-N 3.27Å; V243-R245 PolarHBondContact O-N 2.91Å; V243-R246 PolarHBondContact O-N 2.81Å; V243-A247 WeakPolarHBondContact O-CB 2.85Å; V243-A247 PolarHBondContact O-N 2.69Å
244	L	93.2	Very high	90.4	Very high	2 Å²	2	44.1 Å²	44.1	1%	0.01	21%	0.21	C	C	.	.	H	α-helix	trans	-56.8	-39.7	172.7	178.1	55.5	0	0	0	112.3	F174 V240 V241 A247 K248 Q449 F452	F174-L244 HydrophobicContact CD1-CD1 4.26Å; F174-L244 HydrophobicContact CD2-CB 3.7Å; F174-L244 HydrophobicContact CD2-CD1 4.32Å; F174-L244 HydrophobicContact CE1-CD1 3.87Å; F174-L244 HydrophobicContact CE2-CB 3.59Å; F174-L244 HydrophobicContact CE2-CD1 3.95Å; F174-L244 HydrophobicContact CE2-CD2 4.38Å; F174-L244 HydrophobicContact CE2-CG 4.16Å; F174-L244 HydrophobicContact CG-CB 4.45Å; F174-L244 HydrophobicContact CG-CD1 4.48Å; F174-L244 HydrophobicContact CZ-CB 4.25Å; F174-L244 HydrophobicContact CZ-CD1 3.7Å; F174-L244 HydrophobicContact CZ-CD2 4.44Å; F174-L244 HydrophobicContact CZ-CG 4.33Å; V240-L244 WeakPolarHBondContact O-CB 3.46Å; V240-L244 PolarHBondContact O-N 2.77Å; V241-L244 PolarHBondContact O-N 2.86Å; L244-A247 PolarHBondContact O-N 2.96Å; L244-K248 HydrophobicContact CD1-CD 4.18Å; L244-K248 HydrophobicContact CD1-CG 4.16Å; L244-K248 HydrophobicContact CG-CD 4.26Å; L244-K248 WeakPolarHBondContact O-CB 3.42Å; L244-K248 WeakPolarHBondContact O-CG 3.24Å; L244-K248 PolarHBondContact O-N 3.13Å; L244-Q449 HydrophobicContact CD1-CB 4.45Å; L244-F452 HydrophobicContact CD2-CD2 3.91Å; L244-F452 HydrophobicContact CD2-CE2 4.01Å
245	R	92.9	Very high	90.3	Very high	119 Å²	119	48 Å²	48	45%	0.449	23%	0.23	S	C	.	.	H	α-helix	trans	-61.3	-45.8	177.7	-169.5	179	-61.7	103.9	2.8	111.6	V241 V243 K248 D453	V241-R245 PolarHBondContact O-N 2.97Å; V243-R245 VanDerWaalsContact C-N 3.27Å; V243-R245 PolarHBondContact O-N 2.91Å; R245-K248 PolarHBondContact O-N 3.24Å; R245-D453 IonicContact NH2-OD1 3.27Å
246	R	93.7	Very high	90.2	Very high	78 Å²	78	47.9 Å²	47.9	29%	0.294	23%	0.228	S	C	.	.	H	α-helix	trans	-65.2	-44.9	174.9	-70.4	-171.9	-74.8	140.2	-9.6	112.1	D170 E173 V243 K248 E249	D170-R246 HydrophobicContact CB-CB 4.13Å; D170-R246 IonicContact OD1-CZ 3.79Å; D170-R246 IonicContact OD1-NH1 2.84Å; D170-R246 PolarHBondContact OD1-NH1 3.41Å; E173-R246 IonicContact OE1-CZ 3.37Å; E173-R246 IonicContact OE1-NH1 3.15Å; E173-R246 IonicContact OE1-NH2 3.61Å; E173-R246 PolarHBondContact OE1-NH2 3.49Å; E173-R246 IonicContact OE2-CZ 2.54Å; E173-R246 VanDerWaalsContact OE2-CZ 3.27Å; E173-R246 IonicContact OE2-NH1 2.81Å; E173-R246 PolarHBondContact OE2-NH1 3.42Å; E173-R246 IonicContact OE2-NH2 2.72Å; E173-R246 PolarHBondContact OE2-NH2 3.28Å; V243-R246 PolarHBondContact O-N 2.81Å; R246-K248 PolarHBondContact O-N 3.32Å; R246-E249 VanDerWaalsContact O-CB 3.27Å; R246-E249 WeakPolarHBondContact O-CB 3.44Å; R246-E249 PolarHBondContact O-N 3.36Å
247	A	94.1	Very high	90.2	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-57.8	-34.5	177.3	0	0	0	0	0	112.9	V171 F174 V243 L244 E249 I250 L446	V171-A247 HydrophobicContact CB-CB 4.45Å; V171-A247 HydrophobicContact CG2-CB 4.02Å; F174-A247 HydrophobicContact CB-CB 3.78Å; F174-A247 HydrophobicContact CD1-CB 4.41Å; F174-A247 HydrophobicContact CG-CB 4.21Å; V243-A247 WeakPolarHBondContact O-CB 2.85Å; V243-A247 PolarHBondContact O-N 2.69Å; L244-A247 PolarHBondContact O-N 2.96Å; A247-E249 PolarHBondContact O-N 3.32Å; A247-I250 VanDerWaalsContact O-CG2 3.27Å; A247-I250 WeakPolarHBondContact O-CG2 3.45Å; A247-I250 PolarHBondContact O-N 2.98Å; A247-L446 HydrophobicContact CB-CD2 4.36Å
248	K	94.2	Very high	90.2	Very high	52 Å²	52	50 Å²	50	23%	0.226	24%	0.235	C	C	.	.	G	3₁₀ helix	trans	-70.8	-11.2	175.3	-80.5	175.6	164.4	-179.2	0	114.6	L244 R245 R246 I250 D251 L446 Q449 S450	L244-K248 HydrophobicContact CD1-CD 4.18Å; L244-K248 HydrophobicContact CD1-CG 4.16Å; L244-K248 HydrophobicContact CG-CD 4.26Å; L244-K248 WeakPolarHBondContact O-CB 3.42Å; L244-K248 WeakPolarHBondContact O-CG 3.24Å; L244-K248 PolarHBondContact O-N 3.13Å; R245-K248 PolarHBondContact O-N 3.24Å; R246-K248 PolarHBondContact O-N 3.32Å; K248-I250 PolarHBondContact O-N 3.13Å; K248-D251 PolarHBondContact O-N 3.29Å; K248-L446 WeakPolarHBondContact CE-O 3.32Å; K248-L446 HydrophobicContact CG-CB 4.49Å; K248-Q449 PolarHBondContact NZ-O 2.95Å; K248-S450 PolarHBondContact NZ-O 3.5Å
249	E	92.6	Very high	90.1	Very high	94 Å²	94	47.4 Å²	47.4	44%	0.439	23%	0.225	S	C	.	.	G	3₁₀ helix	trans	-73.1	-5.2	175.2	-62.3	169.7	-167.5	0	0	112.7	K167 R246 A247 D251 M253	K167-E249 HydrophobicContact CD-CB 4.17Å; K167-E249 IonicContact NZ-OE2 2.9Å; K167-E249 PolarHBondContact NZ-OE2 2.95Å; R246-E249 VanDerWaalsContact O-CB 3.27Å; R246-E249 WeakPolarHBondContact O-CB 3.44Å; R246-E249 PolarHBondContact O-N 3.36Å; A247-E249 PolarHBondContact O-N 3.32Å; E249-D251 PolarHBondContact O-N 3.05Å; E249-M253 WeakPolarHBondContact O-CE 3.24Å
250	I	91.6	Very high	90	Very high	2 Å²	2	43.7 Å²	43.7	1%	0.01	21%	0.207	C	C	.	.	G	3₁₀ helix	trans	-71	-5.2	170.8	-152.8	167.5	0	0	0	113.5	Y164 K167 L168 V171 A247 K248 N252 M253 L446	Y164-I250 HydrophobicContact CD2-CG1 4.24Å; Y164-I250 HydrophobicContact CE1-CD1 4.4Å; Y164-I250 HydrophobicContact CE2-CD1 3.89Å; Y164-I250 HydrophobicContact CE2-CG1 3.79Å; K167-I250 HydrophobicContact CB-CB 3.97Å; K167-I250 HydrophobicContact CB-CD1 4.21Å; K167-I250 HydrophobicContact CB-CG1 3.89Å; L168-I250 HydrophobicContact CB-CD1 4.42Å; L168-I250 HydrophobicContact CD1-CD1 4.33Å; V171-I250 HydrophobicContact CG2-CD1 4.01Å; V171-I250 HydrophobicContact CG2-CG2 4.32Å; A247-I250 VanDerWaalsContact O-CG2 3.27Å; A247-I250 WeakPolarHBondContact O-CG2 3.45Å; A247-I250 PolarHBondContact O-N 2.98Å; K248-I250 PolarHBondContact O-N 3.13Å; I250-N252 PolarHBondContact O-N 2.66Å; I250-M253 WeakPolarHBondContact O-CB 3.29Å; I250-M253 PolarHBondContact O-N 2.7Å; I250-L446 HydrophobicContact CG2-CD1 3.71Å
251	D	89.8	Confident	89.7	Confident	63 Å²	63	44 Å²	44	34%	0.337	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.8	115.8	-172.8	-171.9	25.1	0	0	0	113.1	K248 E249 M253 D443 K447	K248-D251 PolarHBondContact O-N 3.29Å; E249-D251 PolarHBondContact O-N 3.05Å; D251-M253 PolarHBondContact O-N 2.63Å; D251-M253 VanDerWaalsContact O-N 3.12Å; D251-D443 WeakPolarHBondContact CA-OD1 3.38Å; D251-K447 IonicContact OD1-NZ 2.81Å; D251-K447 PolarHBondContact OD1-NZ 3.21Å; D251-K447 IonicContact OD2-NZ 2.72Å; D251-K447 PolarHBondContact OD2-NZ 3.45Å
252	N	87.4	Confident	89.4	Confident	70 Å²	70	47.4 Å²	47.4	37%	0.374	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.5	7	-175.8	-46.9	-81.3	0	0	0	116.2	I250 F254 L255 D443	I250-N252 PolarHBondContact O-N 2.66Å; N252-F254 PolarHBondContact O-N 3.22Å; N252-F254 VanDerWaalsContact O-N 3.15Å; N252-L255 HydrophobicContact CB-CD1 3.82Å; N252-L255 HydrophobicContact CB-CG 4.16Å; N252-L255 VanDerWaalsContact O-CB 3.26Å; N252-L255 WeakPolarHBondContact O-CB 3.32Å; N252-L255 VanDerWaalsContact O-CG 3.25Å; N252-L255 WeakPolarHBondContact O-CG 3.33Å; N252-L255 PolarHBondContact O-N 2.98Å; N252-D443 PolarHBondContact N-OD2 2.9Å
253	M	88.8	Confident	89.2	Confident	43 Å²	43	44.8 Å²	44.8	21%	0.212	21%	0.207	C	C	.	.	G	3₁₀ helix	trans	-61.4	-26.2	177.5	-71.1	-167.8	162.6	0	0	112.5	D163 Y164 K167 E249 I250 D251 L255 V256	D163-M253 WeakPolarHBondContact OD2-CE 3.34Å; Y164-M253 HydrophobicContact CD2-CB 3.72Å; Y164-M253 HydrophobicContact CE2-CB 4.29Å; K167-M253 HydrophobicContact CB-SD 4.1Å; K167-M253 HydrophobicContact CG-CE 3.85Å; K167-M253 HydrophobicContact CG-SD 3.48Å; K167-M253 WeakPolarHBondContact CG-SD 3.2Å; E249-M253 WeakPolarHBondContact O-CE 3.24Å; I250-M253 WeakPolarHBondContact O-CB 3.29Å; I250-M253 PolarHBondContact O-N 2.7Å; D251-M253 PolarHBondContact O-N 2.63Å; D251-M253 VanDerWaalsContact O-N 3.12Å; M253-L255 PolarHBondContact O-N 3.38Å; M253-L255 VanDerWaalsContact O-N 3.09Å; M253-V256 WeakPolarHBondContact O-CG1 3.32Å; M253-V256 VanDerWaalsContact O-CG2 3.29Å; M253-V256 WeakPolarHBondContact O-CG2 3.43Å; M253-V256 PolarHBondContact O-N 3.43Å
254	F	88	Confident	88.8	Confident	11 Å²	11	44.7 Å²	44.7	5%	0.048	21%	0.206	C	C	.	.	G	3₁₀ helix	trans	-59.7	-20.2	174.8	73.7	-89	0	0	0	113.5	Y164 N252 V256 F257 Y436 M439 K440 D443	Y164-F254 HydrophobicContact CE2-CB 4Å; N252-F254 PolarHBondContact O-N 3.22Å; N252-F254 VanDerWaalsContact O-N 3.15Å; F254-V256 PolarHBondContact O-N 3.03Å; F254-F257 PolarHBondContact O-N 3.12Å; F254-Y436 HydrophobicContact CD2-CD2 4.16Å; F254-Y436 HydrophobicContact CD2-CE1 4.11Å; F254-Y436 AromaticContact CD2-CE2 3.68Å; F254-Y436 HydrophobicContact CD2-CE2 3.68Å; F254-Y436 AromaticContact CD2-CZ 3.66Å; F254-Y436 AromaticContact CE2-CE1 3.95Å; F254-Y436 HydrophobicContact CE2-CE1 3.95Å; F254-Y436 HydrophobicContact CE2-CE2 4.2Å; F254-Y436 AromaticContact CE2-CZ 3.68Å; F254-Y436 VanDerWaalsContact O-CE2 3.32Å; F254-Y436 WeakPolarHBondContact O-CE2 3.47Å; F254-M439 HydrophobicContact CB-CB 3.71Å; F254-M439 HydrophobicContact CB-SD 4.18Å; F254-M439 HydrophobicContact CG-CB 4.36Å; F254-K440 HydrophobicContact CD2-CB 4.17Å; F254-K440 HydrophobicContact CE1-CB 4.19Å; F254-K440 HydrophobicContact CE1-CG 4.23Å; F254-K440 HydrophobicContact CE2-CB 3.77Å; F254-K440 HydrophobicContact CE2-CD 4.29Å; F254-K440 HydrophobicContact CE2-CG 4.05Å; F254-K440 HydrophobicContact CZ-CB 3.8Å; F254-K440 HydrophobicContact CZ-CD 4.19Å; F254-K440 HydrophobicContact CZ-CG 3.69Å; F254-D443 HydrophobicContact CD1-CB 4.3Å; F254-D443 HydrophobicContact CE1-CB 4.43Å; F254-D443 WeakPolarHBondContact CE1-OD2 3.46Å
255	L	87.4	Confident	88.5	Confident	82 Å²	82	48.6 Å²	48.6	43%	0.429	22%	0.224	S	C	.	.	G	3₁₀ helix	trans	-62	-25.2	177.6	-65.3	-178.5	0	0	0	112.9	N252 M253 F257 R258 Y436	N252-L255 HydrophobicContact CB-CD1 3.82Å; N252-L255 HydrophobicContact CB-CG 4.16Å; N252-L255 VanDerWaalsContact O-CB 3.26Å; N252-L255 WeakPolarHBondContact O-CB 3.32Å; N252-L255 VanDerWaalsContact O-CG 3.25Å; N252-L255 WeakPolarHBondContact O-CG 3.33Å; N252-L255 PolarHBondContact O-N 2.98Å; M253-L255 PolarHBondContact O-N 3.38Å; M253-L255 VanDerWaalsContact O-N 3.09Å; L255-F257 PolarHBondContact O-N 2.88Å; L255-R258 VanDerWaalsContact O-CB 3.23Å; L255-R258 WeakPolarHBondContact O-CB 3.43Å; L255-R258 PolarHBondContact O-N 2.89Å; L255-R258 VanDerWaalsContact O-N 3.07Å; L255-Y436 WeakPolarHBondContact CD2-OH 3.36Å
256	V	85.8	Confident	88.2	Confident	63 Å²	63	43.7 Å²	43.7	38%	0.382	21%	0.207	S	C	.	.	G	3₁₀ helix	trans	-61.7	-25.3	178.5	-53.1	0	0	0	0	112.3	V159 M253 F254 P259	V159-V256 HydrophobicContact CG1-CB 4.48Å; V159-V256 HydrophobicContact CG1-CG2 4.21Å; V159-V256 WeakPolarHBondContact CG1-O 3.39Å; M253-V256 WeakPolarHBondContact O-CG1 3.32Å; M253-V256 VanDerWaalsContact O-CG2 3.29Å; M253-V256 WeakPolarHBondContact O-CG2 3.43Å; M253-V256 PolarHBondContact O-N 3.43Å; F254-V256 PolarHBondContact O-N 3.03Å; V256-P259 VanDerWaalsContact O-CD 3.26Å; V256-P259 WeakPolarHBondContact O-CD 3.49Å
257	F	86.4	Confident	87.8	Confident	1 Å²	1	41 Å²	41	0%	0.004	20%	0.196	C	C	.	.	G	3₁₀ helix	trans	-84.3	-11.7	178.7	-54.1	-55.2	0	0	0	113.8	V159 Y164 F254 L255 P259 L260 I261 Y436 M439 F526 I529	V159-F257 HydrophobicContact CG1-CD1 3.69Å; V159-F257 HydrophobicContact CG1-CE1 4Å; Y164-F257 AromaticContact CD1-CE2 3.92Å; Y164-F257 HydrophobicContact CD1-CE2 3.92Å; Y164-F257 HydrophobicContact CD1-CZ 4.2Å; Y164-F257 AromaticContact CD2-CE2 3.78Å; Y164-F257 HydrophobicContact CD2-CE2 3.78Å; Y164-F257 HydrophobicContact CD2-CZ 4.41Å; Y164-F257 HydrophobicContact CE1-CE2 4.43Å; Y164-F257 HydrophobicContact CE2-CE2 4.31Å; Y164-F257 AromaticContact CG-CE2 3.59Å; Y164-F257 HydrophobicContact CG-CE2 3.59Å; Y164-F257 AromaticContact CG-CZ 3.84Å; Y164-F257 HydrophobicContact CG-CZ 3.84Å; F254-F257 PolarHBondContact O-N 3.12Å; L255-F257 PolarHBondContact O-N 2.88Å; F257-P259 VanDerWaalsContact C-N 3.29Å; F257-P259 VanDerWaalsContact O-N 3.16Å; F257-L260 HydrophobicContact CD1-CD1 3.95Å; F257-L260 WeakPolarHBondContact O-CA 3.46Å; F257-L260 VanDerWaalsContact O-CB 3.31Å; F257-L260 WeakPolarHBondContact O-CB 3.31Å; F257-L260 PolarHBondContact O-N 2.83Å; F257-I261 WeakPolarHBondContact O-CG1 3.18Å; F257-I261 PolarHBondContact O-N 3.34Å; F257-Y436 HydrophobicContact CB-CD2 4.48Å; F257-M439 HydrophobicContact CD2-CE 4.13Å; F257-M439 HydrophobicContact CD2-SD 3.75Å; F257-M439 HydrophobicContact CE2-CE 3.92Å; F257-M439 HydrophobicContact CE2-SD 4.01Å; F257-F526 HydrophobicContact CE1-CE2 4.5Å; F257-F526 HydrophobicContact CE2-CE2 4.03Å; F257-F526 AromaticContact CZ-CE2 3.67Å; F257-F526 HydrophobicContact CZ-CE2 3.67Å; F257-F526 HydrophobicContact CZ-CZ 4.1Å; F257-I529 HydrophobicContact CD1-CG2 3.59Å; F257-I529 HydrophobicContact CE1-CG2 3.76Å; F257-I529 HydrophobicContact CG-CG2 4.13Å; F257-I529 HydrophobicContact CZ-CG2 4.4Å
258	R	86.3	Confident	87.3	Confident	135 Å²	135	43 Å²	43	51%	0.509	21%	0.211	S	C	.	.	H	α-helix	trans	-50.4	-39.4	-178.8	-175	179.3	179.3	-165.1	-3.1	114	L255 I261 F262 Y436	L255-R258 VanDerWaalsContact O-CB 3.23Å; L255-R258 WeakPolarHBondContact O-CB 3.43Å; L255-R258 PolarHBondContact O-N 2.89Å; L255-R258 VanDerWaalsContact O-N 3.07Å; R258-I261 WeakPolarHBondContact O-CB 3.37Å; R258-I261 PolarHBondContact O-N 2.92Å; R258-F262 HydrophobicContact CG-CD2 4.02Å; R258-F262 HydrophobicContact CG-CE2 3.66Å; R258-F262 HydrophobicContact CG-CZ 4.37Å; R258-F262 VanDerWaalsContact NE-CE2 3.25Å; R258-F262 WeakPolarHBondContact O-CD2 3.34Å; R258-F262 PolarHBondContact O-N 2.98Å; R258-F262 VanDerWaalsContact O-N 3.15Å; R258-Y436 HydrophobicContact CB-CE2 4.07Å
259	P	85.4	Confident	87	Confident	18 Å²	18	44.8 Å²	44.8	12%	0.117	22%	0.22	C	C	.	.	H	α-helix	trans	-64.5	-37.9	175.5	-22	35.9	0	0	0	113.3	V154 L156 V256 F257 I261 F262 E263	V154-P259 HydrophobicContact CB-CB 4.1Å; V154-P259 HydrophobicContact CB-CG 4.22Å; V154-P259 HydrophobicContact CG1-CB 3.62Å; V154-P259 HydrophobicContact CG1-CG 3.5Å; V154-P259 VanDerWaalsContact CG1-CG 3.5Å; V154-P259 HydrophobicContact CG2-CB 3.98Å; V154-P259 HydrophobicContact CG2-CG 3.84Å; L156-P259 HydrophobicContact CD2-CB 3.95Å; V256-P259 VanDerWaalsContact O-CD 3.26Å; V256-P259 WeakPolarHBondContact O-CD 3.49Å; F257-P259 VanDerWaalsContact C-N 3.29Å; F257-P259 VanDerWaalsContact O-N 3.16Å; P259-I261 VanDerWaalsContact C-N 3.28Å; P259-I261 PolarHBondContact O-N 3.4Å; P259-F262 PolarHBondContact O-N 2.94Å; P259-E263 WeakPolarHBondContact O-CB 3.35Å; P259-E263 PolarHBondContact O-N 2.96Å
260	L	85.5	Confident	86.7	Confident	0 Å²	0	41.2 Å²	41.2	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-62.9	-36.4	174.8	-51.2	-178.8	0	0	0	111.3	V159 F257 S264 I529 Y532 Q533 I536	V159-L260 HydrophobicContact CG1-CD1 3.99Å; V159-L260 HydrophobicContact CG1-CG 4.3Å; V159-L260 HydrophobicContact CG2-CD2 4.19Å; V159-L260 HydrophobicContact CG2-CG 4.38Å; F257-L260 HydrophobicContact CD1-CD1 3.95Å; F257-L260 WeakPolarHBondContact O-CA 3.46Å; F257-L260 VanDerWaalsContact O-CB 3.31Å; F257-L260 WeakPolarHBondContact O-CB 3.31Å; F257-L260 PolarHBondContact O-N 2.83Å; L260-S264 VanDerWaalsContact O-CB 3.27Å; L260-S264 WeakPolarHBondContact O-CB 3.37Å; L260-S264 PolarHBondContact O-N 3.36Å; L260-I529 HydrophobicContact CD1-CG2 3.98Å; L260-Y532 HydrophobicContact CB-CD1 4.45Å; L260-Q533 HydrophobicContact CD1-CB 4.25Å; L260-I536 HydrophobicContact CD2-CD1 3.44Å; L260-I536 VanDerWaalsContact CD2-CD1 3.44Å
261	I	84.8	Confident	86.3	Confident	13 Å²	13	43.9 Å²	43.9	7%	0.067	23%	0.226	C	C	.	.	H	α-helix	trans	-65.3	-47.4	176.5	-48.4	-54.8	0	0	0	110.8	F257 R258 P259 S264 Q265 L432 P433 Y436	F257-I261 WeakPolarHBondContact O-CG1 3.18Å; F257-I261 PolarHBondContact O-N 3.34Å; R258-I261 WeakPolarHBondContact O-CB 3.37Å; R258-I261 PolarHBondContact O-N 2.92Å; P259-I261 VanDerWaalsContact C-N 3.28Å; P259-I261 PolarHBondContact O-N 3.4Å; I261-S264 PolarHBondContact O-N 3.14Å; I261-Q265 WeakPolarHBondContact O-CG 3.39Å; I261-Q265 PolarHBondContact O-N 3.14Å; I261-L432 HydrophobicContact CD1-CB 3.76Å; I261-L432 HydrophobicContact CD1-CD2 4.13Å; I261-L432 HydrophobicContact CD1-CG 4.43Å; I261-P433 HydrophobicContact CG2-CB 4.47Å; I261-P433 HydrophobicContact CG2-CG 4.06Å; I261-Y436 HydrophobicContact CD1-CD2 4.24Å; I261-Y436 HydrophobicContact CD1-CG 4.36Å; I261-Y436 HydrophobicContact CG1-CD2 3.83Å; I261-Y436 HydrophobicContact CG1-CE2 4.42Å; I261-Y436 HydrophobicContact CG1-CG 4.1Å
262	F	85.6	Confident	85.8	Confident	83 Å²	83	45.3 Å²	45.3	36%	0.364	24%	0.241	S	C	.	.	H	α-helix	trans	-66.4	-43.9	179.7	-72.8	-50.2	0	0	0	112.2	I150 R258 P259 S264 Q265 L266	I150-F262 HydrophobicContact CD1-CB 3.66Å; I150-F262 HydrophobicContact CD1-CG 4.5Å; R258-F262 HydrophobicContact CG-CD2 4.02Å; R258-F262 HydrophobicContact CG-CE2 3.66Å; R258-F262 HydrophobicContact CG-CZ 4.37Å; R258-F262 VanDerWaalsContact NE-CE2 3.25Å; R258-F262 WeakPolarHBondContact O-CD2 3.34Å; R258-F262 PolarHBondContact O-N 2.98Å; R258-F262 VanDerWaalsContact O-N 3.15Å; P259-F262 PolarHBondContact O-N 2.94Å; F262-S264 VanDerWaalsContact C-N 3.34Å; F262-S264 PolarHBondContact O-N 3.3Å; F262-Q265 WeakPolarHBondContact O-CB 3.4Å; F262-Q265 PolarHBondContact O-N 3.3Å; F262-Q265 VanDerWaalsContact O-N 3.13Å; F262-L266 PolarHBondContact O-N 2.91Å
263	E	86.3	Confident	85.4	Confident	5 Å²	5	43.1 Å²	43.1	2%	0.023	23%	0.23	C	C	.	.	H	α-helix	trans	-61.6	-43.5	176.4	-169.9	-74.2	140.6	0	0	110.7	L156 P259 Q265 L266 R267 Y532 I536 Y545	L156-E263 HydrophobicContact CD1-CG 4.12Å; L156-E263 HydrophobicContact CD2-CB 4.49Å; P259-E263 WeakPolarHBondContact O-CB 3.35Å; P259-E263 PolarHBondContact O-N 2.96Å; E263-Q265 VanDerWaalsContact C-N 3.29Å; E263-Q265 PolarHBondContact O-N 3.1Å; E263-L266 PolarHBondContact O-N 2.74Å; E263-R267 WeakPolarHBondContact O-CB 3.44Å; E263-R267 PolarHBondContact O-N 2.88Å; E263-R267 IonicContact OE1-CZ 3.45Å; E263-R267 IonicContact OE1-NE 3.32Å; E263-R267 PolarHBondContact OE1-NE 2.77Å; E263-R267 IonicContact OE1-NH2 2.73Å; E263-R267 PolarHBondContact OE1-NH2 2.94Å; E263-R267 IonicContact OE2-NE 2.75Å; E263-Y532 VanDerWaalsContact OE2-CE1 3.3Å; E263-Y532 WeakPolarHBondContact OE2-CE1 3.24Å; E263-Y532 PolarHBondContact OE2-OH 3.28Å; E263-I536 WeakPolarHBondContact OE2-CG2 3.49Å; E263-Y545 HydrophobicContact CG-CE1 4.46Å; E263-Y545 VanDerWaalsContact CG-OH 3.26Å; E263-Y545 WeakPolarHBondContact CG-OH 3.47Å; E263-Y545 PolarHBondContact OE1-OH 3.36Å
264	S	85.9	Confident	84.8	Confident	4 Å²	4	42.6 Å²	42.6	3%	0.028	24%	0.236	C	C	.	.	H	α-helix	trans	-61.3	-34.6	173.6	-177	0	0	0	0	113.5	L260 I261 F262 S268 Y532	L260-S264 VanDerWaalsContact O-CB 3.27Å; L260-S264 WeakPolarHBondContact O-CB 3.37Å; L260-S264 PolarHBondContact O-N 3.36Å; I261-S264 PolarHBondContact O-N 3.14Å; F262-S264 VanDerWaalsContact C-N 3.34Å; F262-S264 PolarHBondContact O-N 3.3Å; S264-S268 WeakPolarHBondContact O-CB 3.3Å; S264-S268 PolarHBondContact O-N 2.95Å; S264-Y532 WeakPolarHBondContact CA-OH 3.45Å; S264-Y532 WeakPolarHBondContact CB-OH 3.42Å
265	Q	86.3	Confident	84.5	Confident	84 Å²	84	51.5 Å²	51.5	39%	0.393	27%	0.274	S	S	.	.	H	α-helix	trans	-68	-47	175.2	-75.4	173.7	-23.5	0	0	111.4	I261 F262 E263 S268 Q269	I261-Q265 WeakPolarHBondContact O-CG 3.39Å; I261-Q265 PolarHBondContact O-N 3.14Å; F262-Q265 WeakPolarHBondContact O-CB 3.4Å; F262-Q265 PolarHBondContact O-N 3.3Å; F262-Q265 VanDerWaalsContact O-N 3.13Å; E263-Q265 VanDerWaalsContact C-N 3.29Å; E263-Q265 PolarHBondContact O-N 3.1Å; Q265-S268 WeakPolarHBondContact O-CB 3.38Å; Q265-S268 PolarHBondContact O-N 2.98Å; Q265-Q269 WeakPolarHBondContact O-CG 3.43Å; Q265-Q269 PolarHBondContact O-N 3.09Å
266	L	87.3	Confident	84.5	Confident	16 Å²	16	49.9 Å²	49.9	8%	0.084	26%	0.263	C	S	.	.	H	α-helix	trans	-64.3	-41.1	176.3	-66.1	-178.3	0	0	0	111.7	V143 D146 I147 I150 F262 E263 S268 Q269 L270	V143-L266 HydrophobicContact CG1-CB 4.27Å; V143-L266 HydrophobicContact CG1-CD2 4.48Å; V143-L266 VanDerWaalsContact CG1-O 3.32Å; V143-L266 WeakPolarHBondContact CG1-O 3.22Å; D146-L266 HydrophobicContact CB-CD1 3.99Å; D146-L266 HydrophobicContact CB-CD2 3.93Å; I147-L266 HydrophobicContact CB-CD1 4.4Å; I147-L266 HydrophobicContact CD1-CB 4.22Å; I147-L266 HydrophobicContact CG1-CB 3.7Å; I147-L266 HydrophobicContact CG1-CD1 3.7Å; I147-L266 HydrophobicContact CG1-CG 4.33Å; I150-L266 HydrophobicContact CD1-CD1 3.52Å; I150-L266 HydrophobicContact CD1-CG 4.46Å; I150-L266 HydrophobicContact CG1-CD1 4.24Å; F262-L266 PolarHBondContact O-N 2.91Å; E263-L266 PolarHBondContact O-N 2.74Å; L266-S268 VanDerWaalsContact C-N 3.3Å; L266-S268 PolarHBondContact O-N 3.45Å; L266-Q269 WeakPolarHBondContact O-CB 3.49Å; L266-Q269 PolarHBondContact O-N 3.27Å; L266-Q269 VanDerWaalsContact O-N 3.14Å; L266-L270 WeakPolarHBondContact O-CB 3.43Å; L266-L270 PolarHBondContact O-N 3.14Å
267	R	84.1	Confident	84.7	Confident	21 Å²	21	50.1 Å²	50.1	8%	0.079	26%	0.262	C	S	.	.	H	α-helix	trans	-61.6	-38.4	173.5	-172.8	173.5	-61.8	-93.8	-12.7	112	E263 L270 A271 H541 Y545	E263-R267 WeakPolarHBondContact O-CB 3.44Å; E263-R267 PolarHBondContact O-N 2.88Å; E263-R267 IonicContact OE1-CZ 3.45Å; E263-R267 IonicContact OE1-NE 3.32Å; E263-R267 PolarHBondContact OE1-NE 2.77Å; E263-R267 IonicContact OE1-NH2 2.73Å; E263-R267 PolarHBondContact OE1-NH2 2.94Å; E263-R267 IonicContact OE2-NE 2.75Å; R267-L270 PolarHBondContact O-N 2.92Å; R267-A271 VanDerWaalsContact O-CB 3.32Å; R267-A271 WeakPolarHBondContact O-CB 3.35Å; R267-A271 PolarHBondContact O-N 3.41Å; R267-H541 PolarHBondContact NH1-CD2 3.36Å; R267-H541 VanDerWaalsContact NH1-CD2 3.28Å; R267-H541 PolarHBondContact NH1-NE2 2.57Å; R267-Y545 PolarHBondContact NH2-OH 2.98Å
268	S	84.2	Confident	84.9	Confident	43 Å²	43	55.7 Å²	55.7	30%	0.301	29%	0.288	S	S	.	.	H	α-helix	trans	-65.1	-40	173.5	-155.4	0	0	0	0	112.2	S264 Q265 L266 S272 S428	S264-S268 WeakPolarHBondContact O-CB 3.3Å; S264-S268 PolarHBondContact O-N 2.95Å; Q265-S268 WeakPolarHBondContact O-CB 3.38Å; Q265-S268 PolarHBondContact O-N 2.98Å; L266-S268 VanDerWaalsContact C-N 3.3Å; L266-S268 PolarHBondContact O-N 3.45Å; S268-S272 WeakPolarHBondContact O-CB 3.37Å; S268-S272 PolarHBondContact O-N 2.91Å; S268-S272 PolarHBondContact O-OG 3.08Å; S268-S428 WeakPolarHBondContact CB-OG 3.34Å; S268-S428 PolarHBondContact OG-OG 3.3Å
269	Q	86.9	Confident	85.2	Confident	90 Å²	90	55.6 Å²	55.6	42%	0.421	29%	0.293	S	S	.	.	H	α-helix	trans	-64.4	-48.9	174.3	-70.2	173.1	4.4	0	0	110.2	V143 Q265 L266 A271 S272 T273	V143-Q269 HydrophobicContact CG1-CB 4.22Å; V143-Q269 HydrophobicContact CG2-CB 3.87Å; Q265-Q269 WeakPolarHBondContact O-CG 3.43Å; Q265-Q269 PolarHBondContact O-N 3.09Å; L266-Q269 WeakPolarHBondContact O-CB 3.49Å; L266-Q269 PolarHBondContact O-N 3.27Å; L266-Q269 VanDerWaalsContact O-N 3.14Å; Q269-A271 VanDerWaalsContact C-N 3.33Å; Q269-A271 PolarHBondContact O-N 3.18Å; Q269-S272 WeakPolarHBondContact CA-OG 3.36Å; Q269-S272 CarbonylContact O-C 3.54Å; Q269-S272 WeakPolarHBondContact O-CA 3.15Å; Q269-S272 PolarHBondContact O-N 3.46Å; Q269-S272 PolarHBondContact O-OG 3.25Å; Q269-T273 WeakPolarHBondContact O-CG2 3.19Å; Q269-T273 PolarHBondContact O-N 2.88Å
270	L	86.8	Confident	85.6	Confident	18 Å²	18	54.7 Å²	54.7	9%	0.094	29%	0.288	C	S	.	.	H	α-helix	trans	-58	-42.5	177.6	-165.8	72.5	0	0	0	112	R140 V143 L144 I147 L266 R267 S272 T273 F544	R140-L270 HydrophobicContact CG-CD1 3.7Å; R140-L270 PolarHBondContact NH1-O 3.24Å; V143-L270 HydrophobicContact CB-CD1 4.33Å; V143-L270 HydrophobicContact CG1-CB 3.86Å; V143-L270 HydrophobicContact CG1-CD1 4.07Å; L144-L270 HydrophobicContact CD1-CD1 4.48Å; L144-L270 HydrophobicContact CD2-CD1 3.7Å; L144-L270 HydrophobicContact CD2-CD2 4.05Å; L144-L270 HydrophobicContact CG-CD1 3.81Å; I147-L270 HydrophobicContact CD1-CD2 4.19Å; L266-L270 WeakPolarHBondContact O-CB 3.43Å; L266-L270 PolarHBondContact O-N 3.14Å; R267-L270 PolarHBondContact O-N 2.92Å; L270-S272 VanDerWaalsContact C-N 3.29Å; L270-S272 PolarHBondContact O-N 3.06Å; L270-T273 PolarHBondContact O-N 2.98Å; L270-T273 PolarHBondContact O-OG1 3.39Å; L270-F544 HydrophobicContact CD2-CZ 4.2Å
271	A	82.6	Confident	85.9	Confident	58 Å²	58	55.3 Å²	55.3	48%	0.479	29%	0.291	S	S	.	.	H	α-helix	trans	-68.4	-26.2	175	0	0	0	0	0	113.4	R267 Q269	R267-A271 VanDerWaalsContact O-CB 3.32Å; R267-A271 WeakPolarHBondContact O-CB 3.35Å; R267-A271 PolarHBondContact O-N 3.41Å; Q269-A271 VanDerWaalsContact C-N 3.33Å; Q269-A271 PolarHBondContact O-N 3.18Å
272	S	80.8	Confident	86.3	Confident	94 Å²	94	59.4 Å²	59.4	66%	0.657	31%	0.313	S	S	*	.	H	α-helix	trans	-85.2	-21.4	175.6	75.5	0	0	0	0	114.1	S268 Q269 L270 G274	S268-S272 WeakPolarHBondContact O-CB 3.37Å; S268-S272 PolarHBondContact O-N 2.91Å; S268-S272 PolarHBondContact O-OG 3.08Å; Q269-S272 WeakPolarHBondContact CA-OG 3.36Å; Q269-S272 CarbonylContact O-C 3.54Å; Q269-S272 WeakPolarHBondContact O-CA 3.15Å; Q269-S272 PolarHBondContact O-N 3.46Å; Q269-S272 PolarHBondContact O-OG 3.25Å; L270-S272 VanDerWaalsContact C-N 3.29Å; L270-S272 PolarHBondContact O-N 3.06Å; S272-G274 PolarHBondContact O-N 3.2Å
273	T	78.6	Confident	86.7	Confident	23 Å²	23	58.6 Å²	58.6	14%	0.141	31%	0.312	C	S	.	.	S	Bend	trans	-66.4	132.6	169.5	61	0	0	0	0	109.4	K139 R140 Q269 L270	K139-T273 HydrophobicContact CB-CG2 4.24Å; R140-T273 HydrophobicContact CB-CG2 4.21Å; R140-T273 WeakPolarHBondContact CG-OG1 3.49Å; R140-T273 PolarHBondContact NH1-OG1 3.5Å; Q269-T273 WeakPolarHBondContact O-CG2 3.19Å; Q269-T273 PolarHBondContact O-N 2.88Å; L270-T273 PolarHBondContact O-N 2.98Å; L270-T273 PolarHBondContact O-OG1 3.39Å
274	G	76.8	Confident	87.1	Confident	32 Å²	32	58.3 Å²	58.3	33%	0.33	31%	0.311	S	S	.	.			trans	-63.8	177.5	-179.1	0	0	0	0	0	113.2	I136 S272	I136-G274 VanDerWaalsContact CG2-O 3.29Å; I136-G274 WeakPolarHBondContact CG2-O 3.48Å; S272-G274 PolarHBondContact O-N 3.2Å
275	K	81.2	Confident	87.5	Confident	198 Å²	198	58.5 Å²	58.5	86%	0.861	31%	0.313	S	S	*	.			trans	-74.8	151.6	169.5	-64.2	-174	179	-175.7	0	110.2
276	Y	87.5	Confident	87.9	Confident	48 Å²	48	60 Å²	60	19%	0.188	32%	0.318	C	S	.	.			trans	-126.4	167	171.5	61.6	-75.9	0	0	0	108.2	M137 I281 T416 D419	M137-Y276 HydrophobicContact CB-CG 4.38Å; M137-Y276 HydrophobicContact CE-CE2 4.4Å; M137-Y276 HydrophobicContact CG-CD2 4.3Å; M137-Y276 HydrophobicContact CG-CG 4.48Å; M137-Y276 HydrophobicContact SD-CD1 4.1Å; M137-Y276 HydrophobicContact SD-CD2 3.55Å; M137-Y276 VanDerWaalsContact SD-CD2 3.55Å; M137-Y276 HydrophobicContact SD-CE1 4.21Å; M137-Y276 HydrophobicContact SD-CE2 3.6Å; M137-Y276 VanDerWaalsContact SD-CE2 3.6Å; M137-Y276 HydrophobicContact SD-CG 3.79Å; Y276-I281 HydrophobicContact CD2-CD1 4.12Å; Y276-I281 HydrophobicContact CD2-CG1 3.79Å; Y276-I281 HydrophobicContact CE2-CD1 3.72Å; Y276-I281 HydrophobicContact CE2-CG1 3.77Å; Y276-T416 HydrophobicContact CE2-CG2 4.3Å; Y276-D419 VanDerWaalsContact CE1-OD2 3.28Å; Y276-D419 WeakPolarHBondContact CE1-OD2 3.25Å; Y276-D419 PolarHBondContact OH-OD2 3.07Å
277	D	89.5	Confident	88.2	Confident	68 Å²	68	60 Å²	60	36%	0.364	32%	0.319	S	S	.	.			trans	-120.2	172.2	179.9	46.4	51.9	0	0	0	110	N133 E279 S280 I281	N133-D277 PolarHBondContact ND2-OD1 3.06Å; N133-D277 PolarHBondContact ND2-OD2 3.13Å; D277-E279 VanDerWaalsContact C-N 3.28Å; D277-E279 PolarHBondContact O-N 3.03Å; D277-E279 PolarHBondContact OD1-N 3.32Å; D277-S280 VanDerWaalsContact O-CB 3.32Å; D277-S280 WeakPolarHBondContact O-CB 3.47Å; D277-S280 PolarHBondContact O-N 3.03Å; D277-S280 WeakPolarHBondContact OD1-CB 3.41Å; D277-S280 PolarHBondContact OD1-N 2.65Å; D277-S280 PolarHBondContact OD1-OG 3.25Å; D277-I281 PolarHBondContact O-N 2.78Å
278	Q	90.6	Very high	88.7	Confident	118 Å²	118	59 Å²	59	55%	0.551	32%	0.315	S	S	*	.	H	α-helix	trans	-62.5	-37.3	178.9	-174.8	63.6	49.4	0	0	111.7	S280 I281 D282	Q278-S280 VanDerWaalsContact C-N 3.25Å; Q278-S280 PolarHBondContact O-N 3.44Å; Q278-I281 WeakPolarHBondContact O-CA 3.47Å; Q278-I281 WeakPolarHBondContact O-CB 3.42Å; Q278-I281 PolarHBondContact O-N 3.42Å; Q278-D282 PolarHBondContact NE2-OD1 3.4Å; Q278-D282 VanDerWaalsContact O-CG 3.26Å; Q278-D282 PolarHBondContact O-N 3.06Å
279	E	93.3	Very high	89.2	Confident	133 Å²	133	59.2 Å²	59.2	62%	0.621	31%	0.311	S	S	*	.	H	α-helix	trans	-58.5	-38	176.8	-174.6	176.2	-179.1	0	0	111.5	D277 I281 D282 L283	D277-E279 VanDerWaalsContact C-N 3.28Å; D277-E279 PolarHBondContact O-N 3.03Å; D277-E279 PolarHBondContact OD1-N 3.32Å; E279-I281 VanDerWaalsContact C-N 3.33Å; E279-I281 PolarHBondContact O-N 3.19Å; E279-D282 PolarHBondContact O-N 3.27Å; E279-L283 HydrophobicContact CG-CD1 4.06Å; E279-L283 VanDerWaalsContact O-CB 3.28Å; E279-L283 WeakPolarHBondContact O-CB 3.47Å; E279-L283 WeakPolarHBondContact O-CG 3.39Å; E279-L283 PolarHBondContact O-N 3.42Å
280	S	92.7	Very high	89.5	Confident	0 Å²	0	57.1 Å²	57.1	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-62.2	-37.5	172.7	-54.6	0	0	0	0	113.1	N133 D277 Q278 L284	N133-S280 VanDerWaalsContact CB-OG 3.26Å; N133-S280 WeakPolarHBondContact CB-OG 3.36Å; N133-S280 PolarHBondContact ND2-OG 2.55Å; D277-S280 VanDerWaalsContact O-CB 3.32Å; D277-S280 WeakPolarHBondContact O-CB 3.47Å; D277-S280 PolarHBondContact O-N 3.03Å; D277-S280 WeakPolarHBondContact OD1-CB 3.41Å; D277-S280 PolarHBondContact OD1-N 2.65Å; D277-S280 PolarHBondContact OD1-OG 3.25Å; Q278-S280 VanDerWaalsContact C-N 3.25Å; Q278-S280 PolarHBondContact O-N 3.44Å; S280-L284 VanDerWaalsContact O-CB 3.27Å; S280-L284 WeakPolarHBondContact O-CB 3.47Å; S280-L284 PolarHBondContact O-N 2.98Å
281	I	91.9	Very high	89.8	Confident	13 Å²	13	56.4 Å²	56.4	7%	0.067	30%	0.299	C	S	.	.	H	α-helix	trans	-70	-47.9	178.1	-54	169.4	0	0	0	109.1	Y276 D277 Q278 E279 L283 L284 G285 L412 T416	Y276-I281 HydrophobicContact CD2-CD1 4.12Å; Y276-I281 HydrophobicContact CD2-CG1 3.79Å; Y276-I281 HydrophobicContact CE2-CD1 3.72Å; Y276-I281 HydrophobicContact CE2-CG1 3.77Å; D277-I281 PolarHBondContact O-N 2.78Å; Q278-I281 WeakPolarHBondContact O-CA 3.47Å; Q278-I281 WeakPolarHBondContact O-CB 3.42Å; Q278-I281 PolarHBondContact O-N 3.42Å; E279-I281 VanDerWaalsContact C-N 3.33Å; E279-I281 PolarHBondContact O-N 3.19Å; I281-L283 PolarHBondContact O-N 2.83Å; I281-L284 PolarHBondContact O-N 2.82Å; I281-G285 PolarHBondContact O-N 2.83Å; I281-L412 HydrophobicContact CG2-CD2 4.11Å; I281-L412 HydrophobicContact CG2-CG 4.06Å; I281-T416 HydrophobicContact CD1-CG2 3.91Å; I281-T416 HydrophobicContact CG1-CG2 4.04Å; I281-T416 HydrophobicContact CG2-CG2 4.02Å
282	D	93.4	Very high	90.3	Very high	98 Å²	98	53.7 Å²	53.7	52%	0.524	28%	0.276	S	S	.	.	H	α-helix	trans	-64	-41.8	-177.8	-59.9	-12.5	0	0	0	110.8	Q278 E279 K286	Q278-D282 PolarHBondContact NE2-OD1 3.4Å; Q278-D282 VanDerWaalsContact O-CG 3.26Å; Q278-D282 PolarHBondContact O-N 3.06Å; E279-D282 PolarHBondContact O-N 3.27Å; D282-K286 WeakPolarHBondContact O-CB 3.38Å; D282-K286 PolarHBondContact O-N 3.25Å
283	L	94	Very high	90.9	Very high	66 Å²	66	55.4 Å²	55.4	35%	0.346	27%	0.274	S	S	.	.	H	α-helix	trans	-64.4	-46.3	173.3	-74.1	170.7	0	0	0	112.3	V134 E279 I281 K286 L287	V134-L283 HydrophobicContact CG2-CB 3.91Å; V134-L283 HydrophobicContact CG2-CD1 4.05Å; E279-L283 HydrophobicContact CG-CD1 4.06Å; E279-L283 VanDerWaalsContact O-CB 3.28Å; E279-L283 WeakPolarHBondContact O-CB 3.47Å; E279-L283 WeakPolarHBondContact O-CG 3.39Å; E279-L283 PolarHBondContact O-N 3.42Å; I281-L283 PolarHBondContact O-N 2.83Å; L283-K286 PolarHBondContact O-N 3.48Å; L283-L287 WeakPolarHBondContact O-CG 3.23Å; L283-L287 PolarHBondContact O-N 3.03Å
284	L	94.8	Very high	91.6	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-65	-40.1	178	-177.3	58.6	0	0	0	111.9	V134 M137 E138 L141 S280 I281 L287 F288 F565	V134-L284 HydrophobicContact CG1-CB 4.26Å; V134-L284 HydrophobicContact CG1-CD1 4.28Å; M137-L284 HydrophobicContact CB-CD2 4.42Å; M137-L284 HydrophobicContact CG-CD2 3.73Å; E138-L284 HydrophobicContact CG-CD1 3.69Å; E138-L284 HydrophobicContact CG-CD2 4.16Å; L141-L284 HydrophobicContact CD2-CD2 3.94Å; S280-L284 VanDerWaalsContact O-CB 3.27Å; S280-L284 WeakPolarHBondContact O-CB 3.47Å; S280-L284 PolarHBondContact O-N 2.98Å; I281-L284 PolarHBondContact O-N 2.82Å; L284-L287 PolarHBondContact O-N 2.72Å; L284-F288 HydrophobicContact CD1-CD1 4.21Å; L284-F288 HydrophobicContact CD1-CE1 3.69Å; L284-F288 HydrophobicContact CD1-CE2 4.26Å; L284-F288 HydrophobicContact CD1-CZ 3.73Å; L284-F288 HydrophobicContact CD2-CE2 4.22Å; L284-F288 HydrophobicContact CD2-CZ 4.09Å; L284-F288 HydrophobicContact CG-CD2 4.35Å; L284-F288 HydrophobicContact CG-CE1 4.25Å; L284-F288 HydrophobicContact CG-CE2 3.89Å; L284-F288 HydrophobicContact CG-CZ 3.84Å; L284-F288 WeakPolarHBondContact O-CG 3.3Å; L284-F288 PolarHBondContact O-N 3.46Å; L284-F565 HydrophobicContact CD1-CE2 3.82Å
285	G	94.4	Very high	92.3	Very high	7 Å²	7	53.6 Å²	53.6	7%	0.072	26%	0.255	C	S	.	.	H	α-helix	trans	-58.3	-48.6	173.1	0	0	0	0	0	111.1	I281 L287 F288 E289	I281-G285 PolarHBondContact O-N 2.83Å; G285-L287 PolarHBondContact O-N 3.45Å; G285-F288 WeakPolarHBondContact O-CB 3.47Å; G285-F288 PolarHBondContact O-N 3.06Å; G285-E289 WeakPolarHBondContact O-CG 3.45Å; G285-E289 PolarHBondContact O-N 3.04Å
286	K	94.1	Very high	92.8	Very high	115 Å²	115	49.6 Å²	49.6	50%	0.5	24%	0.239	S	C	.	.	H	α-helix	trans	-58.5	-48.1	175.1	-168.7	-172.1	174.2	-75.6	0	112.2	D282 L283 F288 E289 D290	D282-K286 WeakPolarHBondContact O-CB 3.38Å; D282-K286 PolarHBondContact O-N 3.25Å; L283-K286 PolarHBondContact O-N 3.48Å; K286-F288 PolarHBondContact O-N 3.37Å; K286-E289 PolarHBondContact O-N 2.91Å; K286-E289 VanDerWaalsContact O-N 3.14Å; K286-D290 IonicContact NZ-OD1 3.91Å; K286-D290 PolarHBondContact NZ-OD1 3.28Å; K286-D290 IonicContact NZ-OD2 3.17Å; K286-D290 PolarHBondContact NZ-OD2 2.92Å; K286-D290 WeakPolarHBondContact O-CB 3.27Å; K286-D290 PolarHBondContact O-N 3.07Å
287	L	94.6	Very high	93	Very high	18 Å²	18	49.8 Å²	49.8	9%	0.094	24%	0.244	C	C	.	.	H	α-helix	trans	-58.4	-37	177.4	-70.1	171.7	0	0	0	112.3	D126 A130 V134 L283 L284 G285 V291 F565	D126-L287 HydrophobicContact CB-CD2 3.58Å; A130-L287 HydrophobicContact CB-CD1 4.4Å; V134-L287 HydrophobicContact CG1-CD1 4.09Å; L283-L287 WeakPolarHBondContact O-CG 3.23Å; L283-L287 PolarHBondContact O-N 3.03Å; L284-L287 PolarHBondContact O-N 2.72Å; G285-L287 PolarHBondContact O-N 3.45Å; L287-V291 WeakPolarHBondContact O-CB 3.44Å; L287-V291 VanDerWaalsContact O-CG2 3.32Å; L287-V291 WeakPolarHBondContact O-CG2 3.24Å; L287-V291 PolarHBondContact O-N 3.06Å; L287-F565 HydrophobicContact CB-CE2 4.02Å; L287-F565 HydrophobicContact CB-CZ 3.75Å; L287-F565 HydrophobicContact CD1-CE2 4.3Å
288	F	95.2	Very high	93	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-65.7	-48.9	173.7	-73.4	-17.2	0	0	0	111.9	L141 L284 G285 K286 V291 L292 V408 L412 V558 L561 L562 F565	L141-F288 HydrophobicContact CD2-CE2 3.88Å; L141-F288 HydrophobicContact CD2-CZ 4.05Å; L284-F288 HydrophobicContact CD1-CD1 4.21Å; L284-F288 HydrophobicContact CD1-CE1 3.69Å; L284-F288 HydrophobicContact CD1-CE2 4.26Å; L284-F288 HydrophobicContact CD1-CZ 3.73Å; L284-F288 HydrophobicContact CD2-CE2 4.22Å; L284-F288 HydrophobicContact CD2-CZ 4.09Å; L284-F288 HydrophobicContact CG-CD2 4.35Å; L284-F288 HydrophobicContact CG-CE1 4.25Å; L284-F288 HydrophobicContact CG-CE2 3.89Å; L284-F288 HydrophobicContact CG-CZ 3.84Å; L284-F288 WeakPolarHBondContact O-CG 3.3Å; L284-F288 PolarHBondContact O-N 3.46Å; G285-F288 WeakPolarHBondContact O-CB 3.47Å; G285-F288 PolarHBondContact O-N 3.06Å; K286-F288 PolarHBondContact O-N 3.37Å; F288-V291 PolarHBondContact O-N 2.97Å; F288-L292 WeakPolarHBondContact O-CG 3.43Å; F288-L292 PolarHBondContact O-N 3.31Å; F288-V408 HydrophobicContact CB-CG2 3.63Å; F288-V408 HydrophobicContact CD2-CG2 3.64Å; F288-V408 HydrophobicContact CG-CG2 3.96Å; F288-L412 HydrophobicContact CD2-CD2 4.37Å; F288-V558 HydrophobicContact CD2-CG2 4.32Å; F288-V558 HydrophobicContact CE2-CG1 4.39Å; F288-V558 HydrophobicContact CE2-CG2 3.9Å; F288-L561 HydrophobicContact CB-CD1 3.87Å; F288-L561 HydrophobicContact CD1-CB 3.67Å; F288-L561 HydrophobicContact CD1-CD1 3.95Å; F288-L561 HydrophobicContact CD1-CD2 4.34Å; F288-L561 HydrophobicContact CD1-CG 4.21Å; F288-L561 HydrophobicContact CD2-CD1 4.35Å; F288-L561 HydrophobicContact CE1-CB 3.67Å; F288-L561 HydrophobicContact CG-CB 4.37Å; F288-L561 HydrophobicContact CG-CD1 3.82Å; F288-L561 HydrophobicContact CZ-CB 4.35Å; F288-L562 HydrophobicContact CE1-CD2 4.28Å; F288-L562 HydrophobicContact CE1-CG 4.44Å; F288-L562 HydrophobicContact CZ-CD2 3.89Å; F288-L562 HydrophobicContact CZ-CG 3.98Å; F288-F565 AromaticContact CD1-CE1 3.88Å; F288-F565 HydrophobicContact CD1-CE1 3.88Å; F288-F565 HydrophobicContact CD1-CE2 4.03Å; F288-F565 AromaticContact CD1-CZ 3.42Å; F288-F565 HydrophobicContact CD1-CZ 3.42Å; F288-F565 VanDerWaalsContact CD1-CZ 3.42Å; F288-F565 HydrophobicContact CE1-CD2 4.45Å; F288-F565 HydrophobicContact CE1-CE1 4.12Å; F288-F565 AromaticContact CE1-CE2 3.86Å; F288-F565 HydrophobicContact CE1-CE2 3.86Å; F288-F565 AromaticContact CE1-CZ 3.68Å; F288-F565 HydrophobicContact CE1-CZ 3.68Å
289	E	94	Very high	92.9	Very high	46 Å²	46	47.9 Å²	47.9	22%	0.215	23%	0.231	C	C	.	.	H	α-helix	trans	-65.2	-40	179.1	-57.8	-58.4	163	0	0	112.1	G285 K286 V291 L292 E293 S407 V408 S409	G285-E289 WeakPolarHBondContact O-CG 3.45Å; G285-E289 PolarHBondContact O-N 3.04Å; K286-E289 PolarHBondContact O-N 2.91Å; K286-E289 VanDerWaalsContact O-N 3.14Å; E289-V291 VanDerWaalsContact C-N 3.33Å; E289-V291 PolarHBondContact O-N 3.3Å; E289-L292 PolarHBondContact O-N 2.71Å; E289-E293 WeakPolarHBondContact O-CB 3.47Å; E289-E293 PolarHBondContact O-N 3.3Å; E289-S407 WeakPolarHBondContact OE1-CA 3.41Å; E289-S407 WeakPolarHBondContact OE1-CB 3.35Å; E289-S407 PolarHBondContact OE1-OG 3.31Å; E289-S407 VanDerWaalsContact OE2-CA 3.24Å; E289-S407 WeakPolarHBondContact OE2-CA 3.48Å; E289-S407 WeakPolarHBondContact OE2-CB 3.49Å; E289-S407 PolarHBondContact OE2-OG 3.37Å; E289-V408 PolarHBondContact OE1-N 3.48Å; E289-S409 WeakPolarHBondContact OE1-CB 3.44Å; E289-S409 PolarHBondContact OE1-N 2.69Å; E289-S409 VanDerWaalsContact OE1-N 3.13Å; E289-S409 PolarHBondContact OE1-OG 3.22Å
290	D	92.8	Very high	92.8	Very high	47 Å²	47	44 Å²	44	25%	0.251	22%	0.218	S	C	.	.	H	α-helix	trans	-59.5	-41.4	175.7	-67.2	-29.6	0	0	0	111.5	K286 F294	K286-D290 IonicContact NZ-OD1 3.91Å; K286-D290 PolarHBondContact NZ-OD1 3.28Å; K286-D290 IonicContact NZ-OD2 3.17Å; K286-D290 PolarHBondContact NZ-OD2 2.92Å; K286-D290 WeakPolarHBondContact O-CB 3.27Å; K286-D290 PolarHBondContact O-N 3.07Å; D290-F294 PolarHBondContact O-N 2.96Å
291	V	93.7	Very high	92.8	Very high	2 Å²	2	44 Å²	44	1%	0.012	22%	0.218	C	C	.	.	H	α-helix	trans	-70.4	-38.5	175.5	167.4	0	0	0	0	111.9	I123 I127 L287 F288 E289 S295 M399 L402 L561 F565	I123-V291 HydrophobicContact CD1-CG2 4.29Å; I123-V291 HydrophobicContact CG1-CG2 4.3Å; I123-V291 HydrophobicContact CG2-CG2 3.72Å; I127-V291 HydrophobicContact CD1-CG2 4.04Å; L287-V291 WeakPolarHBondContact O-CB 3.44Å; L287-V291 VanDerWaalsContact O-CG2 3.32Å; L287-V291 WeakPolarHBondContact O-CG2 3.24Å; L287-V291 PolarHBondContact O-N 3.06Å; F288-V291 PolarHBondContact O-N 2.97Å; E289-V291 VanDerWaalsContact C-N 3.33Å; E289-V291 PolarHBondContact O-N 3.3Å; V291-S295 VanDerWaalsContact O-CB 3.32Å; V291-S295 WeakPolarHBondContact O-CB 3.48Å; V291-S295 PolarHBondContact O-N 2.94Å; V291-M399 HydrophobicContact CG1-CE 4.04Å; V291-L402 HydrophobicContact CG1-CD1 3.9Å; V291-L561 HydrophobicContact CB-CD2 4.1Å; V291-L561 HydrophobicContact CG1-CD2 3.6Å; V291-F565 HydrophobicContact CB-CE1 4.43Å; V291-F565 HydrophobicContact CG2-CE1 3.92Å
292	L	93.6	Very high	92.8	Very high	1 Å²	1	44.9 Å²	44.9	1%	0.005	22%	0.223	C	C	.	.	H	α-helix	trans	-66.3	-44	176	-72.1	-175.6	0	0	0	111.7	F288 E289 S295 Q296 L402 F405 V408 L561	F288-L292 WeakPolarHBondContact O-CG 3.43Å; F288-L292 PolarHBondContact O-N 3.31Å; E289-L292 PolarHBondContact O-N 2.71Å; L292-S295 WeakPolarHBondContact O-CB 3.35Å; L292-S295 PolarHBondContact O-N 3.41Å; L292-S295 VanDerWaalsContact O-N 3.15Å; L292-S295 PolarHBondContact O-OG 2.66Å; L292-Q296 PolarHBondContact O-N 3.48Å; L292-L402 HydrophobicContact CD2-CB 4.06Å; L292-F405 HydrophobicContact CD1-CB 4.03Å; L292-F405 HydrophobicContact CD2-CB 3.74Å; L292-F405 HydrophobicContact CD2-CD2 4.25Å; L292-F405 HydrophobicContact CD2-CG 4.46Å; L292-V408 HydrophobicContact CD1-CG1 4.27Å; L292-V408 HydrophobicContact CD1-CG2 4.35Å; L292-L561 HydrophobicContact CD1-CD1 4.26Å; L292-L561 HydrophobicContact CD2-CD1 4.2Å; L292-L561 HydrophobicContact CD2-CD2 4Å; L292-L561 HydrophobicContact CD2-CG 4.39Å; L292-L561 HydrophobicContact CG-CD1 4.16Å; L292-L561 HydrophobicContact CG-CD2 4.22Å
293	E	92.6	Very high	92.7	Very high	130 Å²	130	45 Å²	45	61%	0.607	22%	0.22	S	C	*	.	H	α-helix	trans	-58.4	-50.9	176.2	-173.9	177.4	166.3	0	0	110.8	E289 S295 Q296	E289-E293 WeakPolarHBondContact O-CB 3.47Å; E289-E293 PolarHBondContact O-N 3.3Å; E293-S295 VanDerWaalsContact C-N 3.25Å; E293-S295 PolarHBondContact O-N 3.09Å; E293-Q296 WeakPolarHBondContact O-CB 3.46Å; E293-Q296 PolarHBondContact O-N 2.8Å; E293-Q296 VanDerWaalsContact O-N 3.15Å
294	F	92.2	Very high	92.5	Very high	18 Å²	18	42.4 Å²	42.4	8%	0.079	21%	0.207	C	C	.	.	H	α-helix	trans	-62.1	-33.2	176.4	-173.9	-84.6	0	0	0	112.7	F120 I123 D290 Q296 D297 F301 L396 M399	F120-F294 AromaticContact CD2-CE1 3.8Å; F120-F294 HydrophobicContact CD2-CE1 3.8Å; F120-F294 AromaticContact CD2-CZ 3.47Å; F120-F294 HydrophobicContact CD2-CZ 3.47Å; F120-F294 VanDerWaalsContact CD2-CZ 3.47Å; F120-F294 AromaticContact CE2-CE1 3.6Å; F120-F294 HydrophobicContact CE2-CE1 3.6Å; F120-F294 AromaticContact CE2-CZ 3.71Å; F120-F294 HydrophobicContact CE2-CZ 3.71Å; F120-F294 HydrophobicContact CG-CE1 4.5Å; F120-F294 HydrophobicContact CG-CZ 4.24Å; F120-F294 HydrophobicContact CZ-CE1 4.15Å; I123-F294 HydrophobicContact CD1-CB 3.42Å; I123-F294 VanDerWaalsContact CD1-CB 3.42Å; I123-F294 HydrophobicContact CD1-CD1 3.92Å; I123-F294 HydrophobicContact CD1-CD2 4Å; I123-F294 HydrophobicContact CD1-CG 3.51Å; D290-F294 PolarHBondContact O-N 2.96Å; F294-Q296 PolarHBondContact O-N 3.04Å; F294-D297 PolarHBondContact O-N 3.16Å; F294-F301 HydrophobicContact CD1-CD2 4.44Å; F294-F301 HydrophobicContact CD1-CE2 4.05Å; F294-F301 AromaticContact CD2-CE2 3.79Å; F294-F301 HydrophobicContact CD2-CE2 3.79Å; F294-F301 HydrophobicContact CD2-CZ 4.36Å; F294-F301 AromaticContact CE1-CD2 3.86Å; F294-F301 HydrophobicContact CE1-CD2 3.86Å; F294-F301 AromaticContact CE1-CE2 3.75Å; F294-F301 HydrophobicContact CE1-CE2 3.75Å; F294-F301 HydrophobicContact CE2-CD2 4.19Å; F294-F301 AromaticContact CE2-CE2 3.42Å; F294-F301 HydrophobicContact CE2-CE2 3.42Å; F294-F301 VanDerWaalsContact CE2-CE2 3.42Å; F294-F301 AromaticContact CE2-CZ 3.99Å; F294-F301 HydrophobicContact CE2-CZ 3.99Å; F294-F301 HydrophobicContact CG-CE2 4.1Å; F294-F301 AromaticContact CZ-CD2 3.71Å; F294-F301 HydrophobicContact CZ-CD2 3.71Å; F294-F301 AromaticContact CZ-CE2 3.42Å; F294-F301 HydrophobicContact CZ-CE2 3.42Å; F294-F301 VanDerWaalsContact CZ-CE2 3.42Å; F294-F301 HydrophobicContact CZ-CZ 4.33Å; F294-L396 HydrophobicContact CE1-CD2 4.09Å; F294-M399 HydrophobicContact CB-CE 4.44Å; F294-M399 HydrophobicContact CD1-CE 3.42Å; F294-M399 VanDerWaalsContact CD1-CE 3.42Å; F294-M399 HydrophobicContact CD1-SD 3.64Å; F294-M399 HydrophobicContact CE1-CE 4.08Å; F294-M399 HydrophobicContact CE1-SD 3.66Å; F294-M399 HydrophobicContact CG-CE 4.33Å
295	S	93.3	Very high	92.4	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-64.5	-26.3	177.9	83.7	0	0	0	0	113.6	V291 L292 E293 D297 S298 M399 S403	V291-S295 VanDerWaalsContact O-CB 3.32Å; V291-S295 WeakPolarHBondContact O-CB 3.48Å; V291-S295 PolarHBondContact O-N 2.94Å; L292-S295 WeakPolarHBondContact O-CB 3.35Å; L292-S295 PolarHBondContact O-N 3.41Å; L292-S295 VanDerWaalsContact O-N 3.15Å; L292-S295 PolarHBondContact O-OG 2.66Å; E293-S295 VanDerWaalsContact C-N 3.25Å; E293-S295 PolarHBondContact O-N 3.09Å; S295-D297 VanDerWaalsContact C-N 3.3Å; S295-D297 PolarHBondContact O-N 3.4Å; S295-S298 WeakPolarHBondContact O-CB 3.37Å; S295-S298 PolarHBondContact O-N 3.14Å; S295-S298 PolarHBondContact O-OG 3.13Å; S295-M399 WeakPolarHBondContact CB-O 3.44Å; S295-S403 WeakPolarHBondContact O-CB 3.34Å; S295-S403 WeakPolarHBondContact OG-CA 3.46Å; S295-S403 PolarHBondContact OG-N 3.39Å
296	Q	91.8	Very high	92.3	Very high	113 Å²	113	45.5 Å²	45.5	53%	0.528	22%	0.219	S	C	.	.	H	α-helix	trans	-64.5	-35.6	178.9	-66	172.9	26.7	0	0	111.8	L292 E293 F294	L292-Q296 PolarHBondContact O-N 3.48Å; E293-Q296 WeakPolarHBondContact O-CB 3.46Å; E293-Q296 PolarHBondContact O-N 2.8Å; E293-Q296 VanDerWaalsContact O-N 3.15Å; F294-Q296 PolarHBondContact O-N 3.04Å
297	D	91.1	Very high	92.1	Very high	53 Å²	53	42.2 Å²	42.2	28%	0.283	21%	0.211	S	C	.	.	H	α-helix	trans	-86.1	-6.7	178	-79.6	-31.5	0	0	0	113.9	R115 F294 S295 K299 S300 F301	R115-D297 IonicContact CZ-OD2 2.68Å; R115-D297 IonicContact NH1-OD2 3.8Å; R115-D297 PolarHBondContact NH1-OD2 3.11Å; R115-D297 IonicContact NH2-OD2 3.91Å; R115-D297 PolarHBondContact NH2-OD2 3.17Å; F294-D297 PolarHBondContact O-N 3.16Å; S295-D297 VanDerWaalsContact C-N 3.3Å; S295-D297 PolarHBondContact O-N 3.4Å; D297-K299 PolarHBondContact O-N 3.37Å; D297-S300 WeakPolarHBondContact O-CB 3.29Å; D297-S300 PolarHBondContact O-N 3.39Å; D297-F301 HydrophobicContact CB-CD1 4.28Å; D297-F301 HydrophobicContact CB-CD2 4.03Å; D297-F301 HydrophobicContact CB-CE1 3.8Å; D297-F301 HydrophobicContact CB-CE2 3.49Å; D297-F301 VanDerWaalsContact CB-CE2 3.49Å; D297-F301 HydrophobicContact CB-CG 4.39Å; D297-F301 HydrophobicContact CB-CZ 3.37Å; D297-F301 WeakPolarHBondContact O-CG 3.4Å; D297-F301 PolarHBondContact O-N 2.93Å
298	S	90	Very high	91.9	Very high	2 Å²	2	41.4 Å²	41.4	1%	0.014	21%	0.206	C	C	.	.	H	α-helix	trans	-51.9	-31.8	-174.1	62.5	0	0	0	0	115	S295 L302 S400	S295-S298 WeakPolarHBondContact O-CB 3.37Å; S295-S298 PolarHBondContact O-N 3.14Å; S295-S298 PolarHBondContact O-OG 3.13Å; S298-L302 WeakPolarHBondContact O-CB 3.44Å; S298-L302 PolarHBondContact O-N 3.06Å; S298-S400 WeakPolarHBondContact OG-CA 3.5Å; S298-S400 WeakPolarHBondContact OG-CB 3.41Å
299	K	88.1	Confident	91.7	Very high	143 Å²	143	42.9 Å²	42.9	62%	0.622	21%	0.214	S	C	*	.	H	α-helix	trans	-68.1	-48.3	174.7	-174	-173.8	173.4	-157.5	0	112	D297 F301 L302 E303	D297-K299 PolarHBondContact O-N 3.37Å; K299-F301 VanDerWaalsContact C-N 3.26Å; K299-F301 PolarHBondContact O-N 2.6Å; K299-L302 PolarHBondContact O-N 3.12Å; K299-E303 WeakPolarHBondContact CE-OE1 3.41Å; K299-E303 IonicContact NZ-OE1 2.8Å; K299-E303 WeakPolarHBondContact O-CG 3.4Å; K299-E303 PolarHBondContact O-N 2.67Å; K299-E303 VanDerWaalsContact O-N 3.07Å
300	S	89.8	Confident	91.5	Very high	51 Å²	51	44.7 Å²	44.7	36%	0.357	23%	0.225	S	C	.	.	H	α-helix	trans	-64	-36.4	176.9	-176.1	0	0	0	0	111	D297 N304	D297-S300 WeakPolarHBondContact O-CB 3.29Å; D297-S300 PolarHBondContact O-N 3.39Å; S300-N304 WeakPolarHBondContact O-CB 3.32Å; S300-N304 PolarHBondContact O-N 2.95Å; S300-N304 VanDerWaalsContact O-N 3.16Å
301	F	92.6	Very high	91.3	Very high	1 Å²	1	42.6 Å²	42.6	0%	0.004	21%	0.213	C	C	.	.	H	α-helix	trans	-61.3	-45.8	172.2	-63.9	-22.1	0	0	0	112.3	V112 R115 I116 F294 D297 K299 N304 L305 L396	V112-F301 HydrophobicContact CG1-CD1 3.71Å; V112-F301 HydrophobicContact CG1-CE1 4.12Å; R115-F301 HydrophobicContact CB-CE1 4.04Å; R115-F301 HydrophobicContact CB-CZ 4.24Å; I116-F301 HydrophobicContact CD1-CB 3.75Å; I116-F301 HydrophobicContact CD1-CD1 4.06Å; I116-F301 HydrophobicContact CD1-CG 4.16Å; I116-F301 WeakPolarHBondContact CD1-O 3.28Å; I116-F301 HydrophobicContact CG1-CB 3.62Å; I116-F301 HydrophobicContact CG1-CD1 3.37Å; I116-F301 HydrophobicContact CG1-CD2 4.26Å; I116-F301 HydrophobicContact CG1-CE1 4.04Å; I116-F301 HydrophobicContact CG1-CG 3.5Å; F294-F301 HydrophobicContact CD1-CD2 4.44Å; F294-F301 HydrophobicContact CD1-CE2 4.05Å; F294-F301 AromaticContact CD2-CE2 3.79Å; F294-F301 HydrophobicContact CD2-CE2 3.79Å; F294-F301 HydrophobicContact CD2-CZ 4.36Å; F294-F301 AromaticContact CE1-CD2 3.86Å; F294-F301 HydrophobicContact CE1-CD2 3.86Å; F294-F301 AromaticContact CE1-CE2 3.75Å; F294-F301 HydrophobicContact CE1-CE2 3.75Å; F294-F301 HydrophobicContact CE2-CD2 4.19Å; F294-F301 AromaticContact CE2-CE2 3.42Å; F294-F301 HydrophobicContact CE2-CE2 3.42Å; F294-F301 VanDerWaalsContact CE2-CE2 3.42Å; F294-F301 AromaticContact CE2-CZ 3.99Å; F294-F301 HydrophobicContact CE2-CZ 3.99Å; F294-F301 HydrophobicContact CG-CE2 4.1Å; F294-F301 AromaticContact CZ-CD2 3.71Å; F294-F301 HydrophobicContact CZ-CD2 3.71Å; F294-F301 AromaticContact CZ-CE2 3.42Å; F294-F301 HydrophobicContact CZ-CE2 3.42Å; F294-F301 VanDerWaalsContact CZ-CE2 3.42Å; F294-F301 HydrophobicContact CZ-CZ 4.33Å; D297-F301 HydrophobicContact CB-CD1 4.28Å; D297-F301 HydrophobicContact CB-CD2 4.03Å; D297-F301 HydrophobicContact CB-CE1 3.8Å; D297-F301 HydrophobicContact CB-CE2 3.49Å; D297-F301 VanDerWaalsContact CB-CE2 3.49Å; D297-F301 HydrophobicContact CB-CG 4.39Å; D297-F301 HydrophobicContact CB-CZ 3.37Å; D297-F301 WeakPolarHBondContact O-CG 3.4Å; D297-F301 PolarHBondContact O-N 2.93Å; K299-F301 VanDerWaalsContact C-N 3.26Å; K299-F301 PolarHBondContact O-N 2.6Å; F301-N304 PolarHBondContact O-N 3.21Å; F301-L305 PolarHBondContact O-N 3Å; F301-L396 HydrophobicContact CB-CD1 3.73Å; F301-L396 HydrophobicContact CB-CD2 3.64Å; F301-L396 HydrophobicContact CB-CG 4.34Å; F301-L396 HydrophobicContact CD2-CD2 3.81Å; F301-L396 HydrophobicContact CG-CD2 4.22Å
302	L	91.9	Very high	91	Very high	32 Å²	32	42.7 Å²	42.7	17%	0.168	21%	0.214	C	C	.	.	H	α-helix	trans	-62.4	-48.4	178.5	-171.7	73.9	0	0	0	111.9	S298 K299 N304 L305 E306 K393 L396 K397	S298-L302 WeakPolarHBondContact O-CB 3.44Å; S298-L302 PolarHBondContact O-N 3.06Å; K299-L302 PolarHBondContact O-N 3.12Å; L302-N304 PolarHBondContact O-N 3.4Å; L302-L305 PolarHBondContact O-N 3.3Å; L302-E306 HydrophobicContact CG-CG 4.5Å; L302-E306 WeakPolarHBondContact O-CB 3.34Å; L302-E306 WeakPolarHBondContact O-CG 3.41Å; L302-E306 PolarHBondContact O-N 3.17Å; L302-K393 HydrophobicContact CD1-CB 4.12Å; L302-K393 HydrophobicContact CD1-CG 4.34Å; L302-L396 HydrophobicContact CD1-CB 4.34Å; L302-K397 HydrophobicContact CD1-CG 4.04Å; L302-K397 HydrophobicContact CD2-CG 4.15Å
303	E	91.4	Very high	90.5	Very high	100 Å²	100	49.3 Å²	49.3	47%	0.467	24%	0.239	S	C	.	.	H	α-helix	trans	-58.1	-35.6	178.3	-70.1	171.7	177.3	0	0	111.9	K299 S307	K299-E303 WeakPolarHBondContact CE-OE1 3.41Å; K299-E303 IonicContact NZ-OE1 2.8Å; K299-E303 WeakPolarHBondContact O-CG 3.4Å; K299-E303 PolarHBondContact O-N 2.67Å; K299-E303 VanDerWaalsContact O-N 3.07Å; E303-S307 PolarHBondContact O-N 3.45Å; E303-S307 VanDerWaalsContact O-N 3.12Å; E303-S307 PolarHBondContact O-OG 3.28Å
304	N	91.2	Very high	89.8	Confident	12 Å²	12	44 Å²	44	6%	0.064	22%	0.216	C	C	.	.	H	α-helix	trans	-71.6	-46.3	176.6	-162	-54.5	0	0	0	112.3	N109 V112 I116 S300 F301 L302 E306 S307 I308	N109-N304 PolarHBondContact O-ND2 3.06Å; V112-N304 HydrophobicContact CG1-CB 4.07Å; I116-N304 HydrophobicContact CD1-CB 4.37Å; S300-N304 WeakPolarHBondContact O-CB 3.32Å; S300-N304 PolarHBondContact O-N 2.95Å; S300-N304 VanDerWaalsContact O-N 3.16Å; F301-N304 PolarHBondContact O-N 3.21Å; L302-N304 PolarHBondContact O-N 3.4Å; N304-E306 VanDerWaalsContact C-N 3.31Å; N304-E306 PolarHBondContact O-N 3.41Å; N304-S307 WeakPolarHBondContact O-CB 3.5Å; N304-S307 PolarHBondContact O-N 2.96Å; N304-I308 PolarHBondContact O-N 2.93Å
305	L	92.1	Very high	89.1	Confident	0 Å²	0	45 Å²	45	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-65.1	-33.9	175.6	-63.8	-164.6	0	0	0	112.5	I116 F301 L302 S307 I308 E309 L389 M392 K393 L396 V583	I116-L305 HydrophobicContact CD1-CD2 3.53Å; I116-L305 HydrophobicContact CD1-CG 3.78Å; I116-L305 HydrophobicContact CG2-CD1 4.34Å; I116-L305 HydrophobicContact CG2-CD2 4.46Å; F301-L305 PolarHBondContact O-N 3Å; L302-L305 PolarHBondContact O-N 3.3Å; L305-S307 VanDerWaalsContact C-N 3.35Å; L305-I308 HydrophobicContact CD2-CD1 4.3Å; L305-I308 PolarHBondContact O-N 3.47Å; L305-E309 WeakPolarHBondContact O-CB 3.43Å; L305-E309 PolarHBondContact O-N 2.85Å; L305-L389 HydrophobicContact CB-CD1 4.28Å; L305-L389 HydrophobicContact CD1-CD1 4.03Å; L305-L389 HydrophobicContact CD2-CD1 3.93Å; L305-L389 HydrophobicContact CG-CD1 4.29Å; L305-M392 HydrophobicContact CD1-CB 4.34Å; L305-M392 HydrophobicContact CD1-CG 4.04Å; L305-K393 HydrophobicContact CB-CD 4.22Å; L305-K393 HydrophobicContact CB-CG 3.76Å; L305-K393 HydrophobicContact CD1-CG 3.8Å; L305-K393 HydrophobicContact CG-CG 4.45Å; L305-L396 HydrophobicContact CD1-CD1 3.64Å; L305-L396 HydrophobicContact CG-CD1 4.19Å; L305-V583 HydrophobicContact CD2-CG2 4.25Å
306	E	91.8	Very high	88	Confident	72 Å²	72	47.3 Å²	47.3	34%	0.336	24%	0.24	S	C	.	.	H	α-helix	trans	-65.2	-38.5	173.4	-74.2	-178.5	169.8	0	0	111.7	L302 N304 E309 N310 K393	L302-E306 HydrophobicContact CG-CG 4.5Å; L302-E306 WeakPolarHBondContact O-CB 3.34Å; L302-E306 WeakPolarHBondContact O-CG 3.41Å; L302-E306 PolarHBondContact O-N 3.17Å; N304-E306 VanDerWaalsContact C-N 3.31Å; N304-E306 PolarHBondContact O-N 3.41Å; E306-E309 PolarHBondContact O-N 3.12Å; E306-N310 WeakPolarHBondContact O-CB 3.44Å; E306-N310 PolarHBondContact O-N 3.39Å; E306-N310 PolarHBondContact O-ND2 3.32Å; E306-N310 VanDerWaalsContact O-ND2 3.07Å; E306-K393 VanDerWaalsContact CG-CE 3.4Å; E306-K393 IonicContact OE1-NZ 2.74Å
307	S	90.1	Very high	86.7	Confident	46 Å²	46	46.1 Å²	46.1	32%	0.322	24%	0.24	S	C	.	.	H	α-helix	trans	-63.7	-44.2	172.8	-54.8	0	0	0	0	111.7	E303 N304 L305 N310 L311	E303-S307 PolarHBondContact O-N 3.45Å; E303-S307 VanDerWaalsContact O-N 3.12Å; E303-S307 PolarHBondContact O-OG 3.28Å; N304-S307 WeakPolarHBondContact O-CB 3.5Å; N304-S307 PolarHBondContact O-N 2.96Å; L305-S307 VanDerWaalsContact C-N 3.35Å; S307-N310 PolarHBondContact O-N 3.38Å; S307-L311 WeakPolarHBondContact O-CG 3.18Å; S307-L311 PolarHBondContact O-N 3.15Å; S307-L311 VanDerWaalsContact O-N 3.15Å
308	I	90.7	Very high	85.2	Confident	0 Å²	0	44.8 Å²	44.8	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-59.9	-47	174	-75.9	171.4	0	0	0	111.5	V108 A113 N304 L305 L311 I312 L389 V582 V583 I586	V108-I308 HydrophobicContact CG1-CD1 4.25Å; V108-I308 HydrophobicContact CG1-CG1 4.09Å; A113-I308 HydrophobicContact CB-CD1 4.19Å; N304-I308 PolarHBondContact O-N 2.93Å; L305-I308 HydrophobicContact CD2-CD1 4.3Å; L305-I308 PolarHBondContact O-N 3.47Å; I308-L311 PolarHBondContact O-N 2.97Å; I308-I312 HydrophobicContact CG2-CD1 3.86Å; I308-I312 WeakPolarHBondContact O-CD1 3.48Å; I308-I312 VanDerWaalsContact O-CG1 3.29Å; I308-I312 WeakPolarHBondContact O-CG1 3.48Å; I308-I312 PolarHBondContact O-N 3.45Å; I308-I312 VanDerWaalsContact O-N 3.12Å; I308-L389 HydrophobicContact CG2-CD1 4.49Å; I308-L389 HydrophobicContact CG2-CD2 4.12Å; I308-V582 HydrophobicContact CG2-CG1 3.74Å; I308-V583 HydrophobicContact CD1-CG2 4.13Å; I308-I586 HydrophobicContact CG1-CG1 4.37Å; I308-I586 HydrophobicContact CG1-CG2 4.26Å; I308-I586 HydrophobicContact CG2-CG1 4.04Å
309	E	91.4	Very high	83.5	Confident	32 Å²	32	50.2 Å²	50.2	15%	0.15	27%	0.267	C	S	.	.	H	α-helix	trans	-63.7	-42.8	179.9	-160.4	-153.9	156.5	0	0	111.6	L305 E306 L311 I312 W313 L389 K393	L305-E309 WeakPolarHBondContact O-CB 3.43Å; L305-E309 PolarHBondContact O-N 2.85Å; E306-E309 PolarHBondContact O-N 3.12Å; E309-L311 VanDerWaalsContact C-N 3.31Å; E309-L311 PolarHBondContact O-N 3.4Å; E309-I312 WeakPolarHBondContact O-CB 3.35Å; E309-I312 PolarHBondContact O-N 3.11Å; E309-I312 VanDerWaalsContact O-N 3.1Å; E309-W313 VanDerWaalsContact O-CD1 3.24Å; E309-W313 PolarHBondContact O-N 2.95Å; E309-W313 PolarHBondContact OE1-NE1 3.1Å; E309-L389 HydrophobicContact CB-CD2 3.96Å; E309-L389 HydrophobicContact CG-CD2 4.08Å; E309-K393 IonicContact OE2-NZ 2.66Å; E309-K393 PolarHBondContact OE2-NZ 3.12Å
310	N	88.7	Confident	81.9	Confident	84 Å²	84	50.1 Å²	50.1	45%	0.449	27%	0.273	S	S	.	.	H	α-helix	trans	-60.2	-38.8	176.7	-75.1	-32.2	0	0	0	112.6	E306 S307 S314	E306-N310 WeakPolarHBondContact O-CB 3.44Å; E306-N310 PolarHBondContact O-N 3.39Å; E306-N310 PolarHBondContact O-ND2 3.32Å; E306-N310 VanDerWaalsContact O-ND2 3.07Å; S307-N310 PolarHBondContact O-N 3.38Å; N310-S314 WeakPolarHBondContact O-CB 3.39Å; N310-S314 PolarHBondContact O-N 3.49Å; N310-S314 PolarHBondContact O-OG 3.44Å
311	L	88.1	Confident	80.5	Confident	2 Å²	2	50.4 Å²	50.4	1%	0.01	27%	0.271	C	S	.	.	H	α-helix	trans	-65.7	-38	174.2	-71.3	166.9	0	0	0	112.1	K101 E104 M105 V108 S307 I308 E309 S314 K315 W377	K101-L311 HydrophobicContact CB-CD2 4.24Å; K101-L311 HydrophobicContact CD-CD2 4.04Å; E104-L311 HydrophobicContact CB-CD2 4Å; E104-L311 HydrophobicContact CG-CD2 3.91Å; E104-L311 HydrophobicContact CG-CG 4.25Å; M105-L311 HydrophobicContact CB-CD1 4.18Å; M105-L311 HydrophobicContact CB-CD2 4.16Å; M105-L311 HydrophobicContact CG-CD1 4.41Å; V108-L311 HydrophobicContact CG2-CD1 3.67Å; S307-L311 WeakPolarHBondContact O-CG 3.18Å; S307-L311 PolarHBondContact O-N 3.15Å; S307-L311 VanDerWaalsContact O-N 3.15Å; I308-L311 PolarHBondContact O-N 2.97Å; E309-L311 VanDerWaalsContact C-N 3.31Å; E309-L311 PolarHBondContact O-N 3.4Å; L311-S314 PolarHBondContact O-OG 3.14Å; L311-K315 PolarHBondContact O-N 3.45Å; L311-W377 HydrophobicContact CB-CH2 4.17Å
312	I	87.8	Confident	79.2	Confident	5 Å²	5	54.6 Å²	54.6	3%	0.026	30%	0.298	C	S	.	.	H	α-helix	trans	-67.3	-49.1	176.1	-64.9	163.2	0	0	0	110.6	I308 E309 S314 K315 A316 W377 T380 L381 Q386 L389 V582 I586	I308-I312 HydrophobicContact CG2-CD1 3.86Å; I308-I312 WeakPolarHBondContact O-CD1 3.48Å; I308-I312 VanDerWaalsContact O-CG1 3.29Å; I308-I312 WeakPolarHBondContact O-CG1 3.48Å; I308-I312 PolarHBondContact O-N 3.45Å; I308-I312 VanDerWaalsContact O-N 3.12Å; E309-I312 WeakPolarHBondContact O-CB 3.35Å; E309-I312 PolarHBondContact O-N 3.11Å; E309-I312 VanDerWaalsContact O-N 3.1Å; I312-S314 PolarHBondContact O-N 2.9Å; I312-K315 PolarHBondContact O-N 3.08Å; I312-A316 VanDerWaalsContact O-CB 3.3Å; I312-A316 WeakPolarHBondContact O-CB 3.43Å; I312-A316 PolarHBondContact O-N 3.45Å; I312-W377 HydrophobicContact CG1-CZ3 4.33Å; I312-T380 HydrophobicContact CD1-CG2 3.59Å; I312-T380 HydrophobicContact CG1-CG2 3.6Å; I312-L381 HydrophobicContact CG2-CD2 4.4Å; I312-Q386 HydrophobicContact CG2-CG 4.11Å; I312-Q386 VanDerWaalsContact CG2-NE2 3.27Å; I312-L389 HydrophobicContact CD1-CD2 4.13Å; I312-V582 HydrophobicContact CD1-CG1 3.58Å; I312-I586 HydrophobicContact CG1-CD1 4.5Å
313	W	83.3	Confident	78.3	Confident	139 Å²	139	55.1 Å²	55.1	53%	0.527	30%	0.303	S	S	.	.	H	α-helix	trans	-60.8	-41.9	177.2	-80.7	114.9	0	0	0	112.2	E309 A316 T317	E309-W313 VanDerWaalsContact O-CD1 3.24Å; E309-W313 PolarHBondContact O-N 2.95Å; E309-W313 PolarHBondContact OE1-NE1 3.1Å; W313-A316 PolarHBondContact O-N 2.86Å; W313-T317 HydrophobicContact CE3-CG2 4.41Å; W313-T317 WeakPolarHBondContact O-CB 3.41Å; W313-T317 WeakPolarHBondContact O-CG2 3.48Å; W313-T317 PolarHBondContact O-N 3.23Å; W313-T317 PolarHBondContact O-OG1 3.08Å
314	S	77.9	Confident	77.8	Confident	18 Å²	18	56.2 Å²	56.2	13%	0.126	31%	0.307	C	S	.	.	H	α-helix	trans	-59.3	-52.3	177.2	61.7	0	0	0	0	110.5	N310 L311 I312 A316 T317 T318	N310-S314 WeakPolarHBondContact O-CB 3.39Å; N310-S314 PolarHBondContact O-N 3.49Å; N310-S314 PolarHBondContact O-OG 3.44Å; L311-S314 PolarHBondContact O-OG 3.14Å; I312-S314 PolarHBondContact O-N 2.9Å; S314-A316 VanDerWaalsContact C-N 3.28Å; S314-A316 PolarHBondContact O-N 3.46Å; S314-T317 PolarHBondContact O-N 2.97Å; S314-T317 VanDerWaalsContact O-N 3.07Å; S314-T317 PolarHBondContact O-OG1 3.27Å; S314-T318 WeakPolarHBondContact O-CG2 3.42Å; S314-T318 PolarHBondContact O-N 3.11Å; S314-T318 PolarHBondContact O-OG1 3.08Å
315	K	77.7	Confident	77.3	Confident	39 Å²	39	57.3 Å²	57.3	17%	0.17	31%	0.313	C	S	.	.	H	α-helix	trans	-63.9	-30.5	179.9	-165.7	-175.4	177.3	75.2	0	113.3	L95 L311 I312 T317 T318 W377 L381	L95-K315 PolarHBondContact O-NZ 3.3Å; L311-K315 PolarHBondContact O-N 3.45Å; I312-K315 PolarHBondContact O-N 3.08Å; K315-T317 VanDerWaalsContact C-N 3.33Å; K315-T318 WeakPolarHBondContact CA-OG1 3.31Å; K315-T318 PolarHBondContact O-OG1 3.43Å; K315-W377 HydrophobicContact CB-CZ3 4.15Å; K315-W377 HydrophobicContact CD-CD2 3.86Å; K315-W377 HydrophobicContact CD-CE3 3.29Å; K315-W377 HydrophobicContact CD-CH2 4.37Å; K315-W377 HydrophobicContact CD-CZ3 3.57Å; K315-L381 HydrophobicContact CD-CD1 4.38Å; K315-L381 HydrophobicContact CD-CD2 4.48Å
316	A	70.4	Confident	76.6	Confident	50 Å²	50	57.8 Å²	57.8	41%	0.413	32%	0.316	S	S	.	.	H	α-helix	trans	-77.3	-16.1	176.9	0	0	0	0	0	113.8	I312 W313 S314	I312-A316 VanDerWaalsContact O-CB 3.3Å; I312-A316 WeakPolarHBondContact O-CB 3.43Å; I312-A316 PolarHBondContact O-N 3.45Å; W313-A316 PolarHBondContact O-N 2.86Å; S314-A316 VanDerWaalsContact C-N 3.28Å; S314-A316 PolarHBondContact O-N 3.46Å
317	T	64.9	Low	76.3	Confident	87 Å²	87	55.1 Å²	55.1	53%	0.534	30%	0.303	S	S	.	.	H	α-helix	trans	-117.6	-9.5	-175.2	57.1	0	0	0	0	114.2	W313 S314 K315 T319	W313-T317 HydrophobicContact CE3-CG2 4.41Å; W313-T317 WeakPolarHBondContact O-CB 3.41Å; W313-T317 WeakPolarHBondContact O-CG2 3.48Å; W313-T317 PolarHBondContact O-N 3.23Å; W313-T317 PolarHBondContact O-OG1 3.08Å; S314-T317 PolarHBondContact O-N 2.97Å; S314-T317 VanDerWaalsContact O-N 3.07Å; S314-T317 PolarHBondContact O-OG1 3.27Å; K315-T317 VanDerWaalsContact C-N 3.33Å; T317-T319 PolarHBondContact O-N 3.08Å
318	T	59.8	Low	76.1	Confident	25 Å²	25	52.9 Å²	52.9	15%	0.153	29%	0.288	C	S	.	.			trans	-72.3	22.1	175.7	37.8	0	0	0	0	115.2	Y96 S314 K315 N320 L321	Y96-T318 WeakPolarHBondContact O-CB 3.21Å; Y96-T318 PolarHBondContact O-OG1 3.26Å; S314-T318 WeakPolarHBondContact O-CG2 3.42Å; S314-T318 PolarHBondContact O-N 3.11Å; S314-T318 PolarHBondContact O-OG1 3.08Å; K315-T318 WeakPolarHBondContact CA-OG1 3.31Å; K315-T318 PolarHBondContact O-OG1 3.43Å; T318-N320 PolarHBondContact O-N 3.28Å; T318-L321 HydrophobicContact CG2-CD1 3.69Å; T318-L321 HydrophobicContact CG2-CG 3.96Å; T318-L321 PolarHBondContact O-N 3.27Å; T318-L321 VanDerWaalsContact O-N 3.1Å
319	T	53.2	Low	76	Confident	116 Å²	116	53.1 Å²	53.1	71%	0.712	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.6	-8.2	175.7	60	0	0	0	0	114.3	T317	T317-T319 PolarHBondContact O-N 3.08Å
320	N	54.2	Low	75.2	Confident	141 Å²	141	53.7 Å²	53.7	75%	0.754	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114.5	12.3	-177.9	-56.1	-14.2	0	0	0	113.1	T318	T318-N320 PolarHBondContact O-N 3.28Å
321	L	62.1	Low	74.6	Confident	58 Å²	58	53.8 Å²	53.8	30%	0.304	29%	0.292	S	S	.	.			trans	-63	132	170.9	-85.3	172.5	0	0	0	109.6	T97 T318 V323	T97-L321 VanDerWaalsContact C-CD1 3.46Å; T97-L321 WeakPolarHBondContact O-CD1 3.3Å; T318-L321 HydrophobicContact CG2-CD1 3.69Å; T318-L321 HydrophobicContact CG2-CG 3.96Å; T318-L321 PolarHBondContact O-N 3.27Å; T318-L321 VanDerWaalsContact O-N 3.1Å; L321-V323 PolarHBondContact O-N 3.02Å; L321-V323 VanDerWaalsContact O-N 3.09Å
322	P	64.1	Low	74.2	Confident	88 Å²	88	54.2 Å²	54.2	57%	0.571	30%	0.298	S	S	*	.			trans	-69.7	108	176.1	28.2	-32.7	0	0	0	109.6	Q324	P322-Q324 HydrophobicContact CB-CG 4.48Å; P322-Q324 PolarHBondContact O-N 3.36Å
323	V	73.3	Confident	73.9	Confident	44 Å²	44	54.6 Å²	54.6	27%	0.267	30%	0.301	S	S	.	.			trans	-74.1	107.7	174.6	-175.1	0	0	0	0	108.2	E93 Y96 L321 M326 I327	E93-V323 HydrophobicContact CG-CG1 4.41Å; E93-V323 WeakPolarHBondContact OE1-CA 3.37Å; E93-V323 WeakPolarHBondContact OE1-CG1 3.38Å; Y96-V323 HydrophobicContact CE1-CG2 4.49Å; L321-V323 PolarHBondContact O-N 3.02Å; L321-V323 VanDerWaalsContact O-N 3.09Å; V323-M326 HydrophobicContact CG1-CB 3.86Å; V323-I327 HydrophobicContact CG1-CB 4.14Å
324	Q	80.9	Confident	73.9	Confident	122 Å²	122	53 Å²	53	57%	0.57	30%	0.297	S	S	*	.			trans	-113.9	-44	-176.9	-64.4	-175.6	10.7	0	0	112.3	E93 P322	E93-Q324 VanDerWaalsContact CD-N 3.26Å; E93-Q324 PolarHBondContact OE1-N 3.18Å; E93-Q324 PolarHBondContact OE2-N 3.48Å; E93-Q324 VanDerWaalsContact OE2-N 3.17Å; P322-Q324 HydrophobicContact CB-CG 4.48Å; P322-Q324 PolarHBondContact O-N 3.36Å
325	L	80.9	Confident	74.3	Confident	36 Å²	36	52.1 Å²	52.1	19%	0.188	29%	0.291	C	S	.	.	S	Bend	trans	-84.4	-23.4	-176.7	-55.5	174.7	0	0	0	113	N72 I85 D89 A90 E93	N72-L325 PolarHBondContact ND2-O 3.08Å; I85-L325 HydrophobicContact CD1-CD2 3.97Å; I85-L325 HydrophobicContact CG1-CD2 3.96Å; I85-L325 HydrophobicContact CG2-CD1 3.75Å; I85-L325 HydrophobicContact CG2-CD2 4.26Å; D89-L325 HydrophobicContact CB-CD1 4.49Å; A90-L325 HydrophobicContact CB-CD1 4.28Å; E93-L325 VanDerWaalsContact CD-N 3.3Å; E93-L325 PolarHBondContact OE1-N 3.24Å; E93-L325 WeakPolarHBondContact OE2-CB 3.49Å; E93-L325 WeakPolarHBondContact OE2-CG 3.44Å; E93-L325 PolarHBondContact OE2-N 2.72Å
326	M	77.9	Confident	74.8	Confident	9 Å²	9	50.3 Å²	50.3	4%	0.044	28%	0.283	C	S	.	.	S	Bend	trans	-114.2	2	-165	-61.4	-71.2	148.5	0	0	113.9	L76 A90 E93 L94 V323 G328 F329	L76-M326 HydrophobicContact CD1-CE 4.25Å; L76-M326 HydrophobicContact CD2-CE 3.64Å; A90-M326 HydrophobicContact CB-CE 4.18Å; E93-M326 HydrophobicContact CB-CG 4Å; E93-M326 HydrophobicContact CG-CB 4.29Å; E93-M326 HydrophobicContact CG-CG 3.86Å; E93-M326 WeakPolarHBondContact OE1-CB 3.48Å; E93-M326 WeakPolarHBondContact OE1-CG 3.45Å; E93-M326 PolarHBondContact OE1-N 2.86Å; L94-M326 HydrophobicContact CD1-CE 3.87Å; L94-M326 HydrophobicContact CD1-SD 4.25Å; L94-M326 HydrophobicContact CD2-CE 4.11Å; L94-M326 HydrophobicContact CD2-CG 4.4Å; L94-M326 HydrophobicContact CD2-SD 3.35Å; L94-M326 WeakPolarHBondContact CD2-SD 3.37Å; L94-M326 HydrophobicContact CG-CE 3.57Å; L94-M326 HydrophobicContact CG-CG 4.29Å; L94-M326 HydrophobicContact CG-SD 3.44Å; L94-M326 WeakPolarHBondContact CG-SD 3.48Å; V323-M326 HydrophobicContact CG1-CB 3.86Å; M326-G328 PolarHBondContact O-N 2.88Å; M326-G328 VanDerWaalsContact O-N 3.09Å; M326-F329 HydrophobicContact CB-CD2 4.32Å; M326-F329 HydrophobicContact CE-CE2 4.49Å; M326-F329 WeakPolarHBondContact O-CA 3.49Å; M326-F329 WeakPolarHBondContact O-CB 3.5Å; M326-F329 PolarHBondContact O-N 3.07Å; M326-F329 HydrophobicContact SD-CD2 3.45Å; M326-F329 WeakPolarHBondContact SD-CD2 3.48Å; M326-F329 HydrophobicContact SD-CE2 3.75Å
327	I	85.4	Confident	75.5	Confident	16 Å²	16	51 Å²	51	8%	0.082	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-19.7	-166	-161.1	154.9	0	0	0	115.1	N72 V323 F626 L630 L633	N72-I327 PolarHBondContact ND2-N 2.84Å; V323-I327 HydrophobicContact CG1-CB 4.14Å; I327-F626 HydrophobicContact CD1-CE2 4.09Å; I327-F626 HydrophobicContact CG2-CD2 3.83Å; I327-F626 HydrophobicContact CG2-CE2 4.44Å; I327-F626 HydrophobicContact CG2-CG 4.44Å; I327-L630 HydrophobicContact CD1-CB 3.88Å; I327-L630 HydrophobicContact CD1-CD1 3.43Å; I327-L630 VanDerWaalsContact CD1-CD1 3.43Å; I327-L630 HydrophobicContact CD1-CG 4.24Å; I327-L630 HydrophobicContact CG1-CB 4.44Å; I327-L633 HydrophobicContact CG1-CD2 4.28Å
328	G	85.6	Confident	76.4	Confident	0 Å²	0	48.8 Å²	48.8	0%	0	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.8	-8.2	169.7	0	0	0	0	0	115.3	R69 N72 M326 T330	R69-G328 PolarHBondContact N-O 3.34Å; N72-G328 PolarHBondContact ND2-N 2.97Å; N72-G328 WeakPolarHBondContact OD1-CA 3.41Å; N72-G328 PolarHBondContact OD1-N 3.45Å; M326-G328 PolarHBondContact O-N 2.88Å; M326-G328 VanDerWaalsContact O-N 3.09Å; G328-T330 PolarHBondContact O-N 2.81Å
329	F	87.4	Confident	77.5	Confident	5 Å²	5	47.6 Å²	47.6	2%	0.022	26%	0.256	C	S	.	.			trans	-95.8	64.2	176.1	-56.7	-46.5	0	0	0	111	R69 N72 L76 M326 E331 G332 D335 I336 L339	R69-F329 HydrophobicContact CB-CD1 4.38Å; R69-F329 HydrophobicContact CG-CD1 4.05Å; R69-F329 HydrophobicContact CG-CE1 4.13Å; R69-F329 WeakPolarHBondContact O-CE1 3.45Å; N72-F329 HydrophobicContact CB-CD1 4.23Å; N72-F329 HydrophobicContact CB-CD2 4.39Å; N72-F329 HydrophobicContact CB-CE1 3.78Å; N72-F329 HydrophobicContact CB-CE2 3.95Å; N72-F329 HydrophobicContact CB-CZ 3.64Å; L76-F329 HydrophobicContact CD2-CE2 3.9Å; L76-F329 HydrophobicContact CD2-CZ 4.34Å; M326-F329 HydrophobicContact CB-CD2 4.32Å; M326-F329 HydrophobicContact CE-CE2 4.49Å; M326-F329 WeakPolarHBondContact O-CA 3.49Å; M326-F329 WeakPolarHBondContact O-CB 3.5Å; M326-F329 PolarHBondContact O-N 3.07Å; M326-F329 HydrophobicContact SD-CD2 3.45Å; M326-F329 WeakPolarHBondContact SD-CD2 3.48Å; M326-F329 HydrophobicContact SD-CE2 3.75Å; F329-E331 PolarHBondContact O-N 3.37Å; F329-E331 VanDerWaalsContact O-N 3.13Å; F329-G332 PolarHBondContact O-N 2.69Å; F329-D335 WeakPolarHBondContact CA-OD2 3.35Å; F329-D335 HydrophobicContact CB-CB 3.9Å; F329-D335 HydrophobicContact CD1-CB 3.88Å; F329-D335 HydrophobicContact CG-CB 4.27Å; F329-I336 HydrophobicContact CD1-CG1 4.39Å; F329-I336 HydrophobicContact CD2-CD1 4.28Å; F329-I336 HydrophobicContact CD2-CG1 4.19Å; F329-I336 HydrophobicContact CE1-CG1 4.24Å; F329-I336 HydrophobicContact CE2-CD1 4.11Å; F329-I336 HydrophobicContact CE2-CG1 4.04Å; F329-I336 HydrophobicContact CG-CG1 4.36Å; F329-I336 HydrophobicContact CZ-CG1 4.06Å; F329-L339 HydrophobicContact CE1-CD1 4.01Å; F329-L339 HydrophobicContact CE1-CD2 4.26Å; F329-L339 HydrophobicContact CE1-CG 4.25Å; F329-L339 HydrophobicContact CZ-CD1 4.07Å
330	T	74.7	Confident	78.6	Confident	43 Å²	43	46 Å²	46	26%	0.264	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-18.3	-176.3	62	0	0	0	0	115.6	Q65 G328 D335 L633	Q65-T330 PolarHBondContact NE2-OG1 2.87Å; G328-T330 PolarHBondContact O-N 2.81Å; T330-D335 PolarHBondContact N-OD2 3.19Å; T330-L633 HydrophobicContact CG2-CD1 4.32Å
331	E	76.9	Confident	79.4	Confident	86 Å²	86	46.1 Å²	46.1	40%	0.402	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-106.4	11.4	171.8	-55.8	-168.8	-173.9	0	0	113.5	F329 K334 D335	F329-E331 PolarHBondContact O-N 3.37Å; F329-E331 VanDerWaalsContact O-N 3.13Å; E331-K334 HydrophobicContact CB-CB 4.48Å; E331-K334 WeakPolarHBondContact OE2-CD 3.49Å; E331-K334 WeakPolarHBondContact OE2-CE 3.38Å; E331-K334 IonicContact OE2-NZ 3.28Å; E331-K334 PolarHBondContact OE2-NZ 2.81Å; E331-D335 PolarHBondContact N-OD2 3.12Å
332	G	79.1	Confident	79.6	Confident	12 Å²	12	43.6 Å²	43.6	12%	0.124	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	67	-130.9	174.3	0	0	0	0	0	114	F329 K334 D335	F329-G332 PolarHBondContact O-N 2.69Å; G332-K334 PolarHBondContact O-N 3.44Å; G332-D335 WeakPolarHBondContact O-CB 3.45Å; G332-D335 PolarHBondContact O-N 3.29Å
333	S	81.9	Confident	79.6	Confident	13 Å²	13	39.4 Å²	39.4	9%	0.091	20%	0.196	C	C	.	.	H	α-helix	trans	-54.6	-36.5	-177.6	52.9	0	0	0	0	113.7	D335 I336 E337 E374	S333-D335 VanDerWaalsContact C-N 3.32Å; S333-D335 PolarHBondContact O-N 2.65Å; S333-I336 WeakPolarHBondContact O-CB 3.34Å; S333-I336 PolarHBondContact O-N 3.12Å; S333-I336 VanDerWaalsContact O-N 3.13Å; S333-E337 PolarHBondContact O-N 3.42Å; S333-E374 VanDerWaalsContact CB-OE2 3.24Å; S333-E374 WeakPolarHBondContact CB-OE2 3.5Å; S333-E374 PolarHBondContact OG-OE2 3.41Å
334	K	83.9	Confident	78.9	Confident	105 Å²	105	39.3 Å²	39.3	46%	0.457	20%	0.204	S	C	.	.	H	α-helix	trans	-63.4	-35	177.1	-177.5	176.4	168.7	-130.2	0	112.8	E331 G332 I336 E337 L338	E331-K334 HydrophobicContact CB-CB 4.48Å; E331-K334 WeakPolarHBondContact OE2-CD 3.49Å; E331-K334 WeakPolarHBondContact OE2-CE 3.38Å; E331-K334 IonicContact OE2-NZ 3.28Å; E331-K334 PolarHBondContact OE2-NZ 2.81Å; G332-K334 PolarHBondContact O-N 3.44Å; K334-I336 VanDerWaalsContact C-N 3.27Å; K334-I336 PolarHBondContact O-N 3.19Å; K334-E337 PolarHBondContact O-N 3.39Å; K334-L338 HydrophobicContact CG-CD1 4.1Å; K334-L338 WeakPolarHBondContact O-CB 3.46Å; K334-L338 VanDerWaalsContact O-CG 3.3Å; K334-L338 WeakPolarHBondContact O-CG 3.4Å; K334-L338 PolarHBondContact O-N 3.2Å
335	D	86.8	Confident	77.9	Confident	0 Å²	0	38 Å²	38	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-66.7	-32.1	175.6	-86.4	-19	0	0	0	111.8	R69 F329 T330 E331 G332 S333 L339	R69-D335 WeakPolarHBondContact CD-O 3.29Å; R69-D335 HydrophobicContact CG-CB 4.08Å; R69-D335 WeakPolarHBondContact CG-O 3.49Å; R69-D335 IonicContact CZ-OD1 3.75Å; R69-D335 IonicContact NE-OD1 2.73Å; R69-D335 PolarHBondContact NE-OD1 2.68Å; R69-D335 IonicContact NH2-OD1 2.95Å; R69-D335 PolarHBondContact NH2-OD1 3.13Å; F329-D335 WeakPolarHBondContact CA-OD2 3.35Å; F329-D335 HydrophobicContact CB-CB 3.9Å; F329-D335 HydrophobicContact CD1-CB 3.88Å; F329-D335 HydrophobicContact CG-CB 4.27Å; T330-D335 PolarHBondContact N-OD2 3.19Å; E331-D335 PolarHBondContact N-OD2 3.12Å; G332-D335 WeakPolarHBondContact O-CB 3.45Å; G332-D335 PolarHBondContact O-N 3.29Å; S333-D335 VanDerWaalsContact C-N 3.32Å; S333-D335 PolarHBondContact O-N 2.65Å; D335-L339 PolarHBondContact O-N 2.77Å
336	I	87.8	Confident	77.2	Confident	0 Å²	0	38.7 Å²	38.7	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-72.3	-39.9	173.6	-72.2	-179.5	0	0	0	111.8	L94 F329 S333 K334 L338 L339 F363 F366 G367 I370	L94-I336 HydrophobicContact CD1-CD1 4.1Å; L94-I336 HydrophobicContact CD2-CD1 3.53Å; L94-I336 HydrophobicContact CG-CD1 4.41Å; F329-I336 HydrophobicContact CD1-CG1 4.39Å; F329-I336 HydrophobicContact CD2-CD1 4.28Å; F329-I336 HydrophobicContact CD2-CG1 4.19Å; F329-I336 HydrophobicContact CE1-CG1 4.24Å; F329-I336 HydrophobicContact CE2-CD1 4.11Å; F329-I336 HydrophobicContact CE2-CG1 4.04Å; F329-I336 HydrophobicContact CG-CG1 4.36Å; F329-I336 HydrophobicContact CZ-CG1 4.06Å; S333-I336 WeakPolarHBondContact O-CB 3.34Å; S333-I336 PolarHBondContact O-N 3.12Å; S333-I336 VanDerWaalsContact O-N 3.13Å; K334-I336 VanDerWaalsContact C-N 3.27Å; K334-I336 PolarHBondContact O-N 3.19Å; I336-L338 VanDerWaalsContact C-N 3.26Å; I336-L338 PolarHBondContact O-N 3.45Å; I336-L339 HydrophobicContact CG1-CD1 4.32Å; I336-L339 WeakPolarHBondContact O-CB 3.45Å; I336-L339 PolarHBondContact O-N 3.36Å; I336-F363 HydrophobicContact CG2-CB 4.12Å; I336-F363 HydrophobicContact CG2-CD1 3.96Å; I336-F366 HydrophobicContact CD1-CD1 4.42Å; I336-F366 HydrophobicContact CD1-CE1 4.42Å; I336-F366 HydrophobicContact CG2-CD1 4.28Å; I336-G367 VanDerWaalsContact CG2-CA 3.5Å; I336-I370 HydrophobicContact CD1-CD1 3.8Å; I336-I370 HydrophobicContact CG2-CD1 4.48Å
337	E	84.2	Confident	76.6	Confident	64 Å²	64	39.8 Å²	39.8	30%	0.299	22%	0.218	S	C	.	.	H	α-helix	trans	-60.5	-37.8	173.7	-67.5	-176.7	-172.9	0	0	111.6	S333 K334 L339 K368 S371	S333-E337 PolarHBondContact O-N 3.42Å; K334-E337 PolarHBondContact O-N 3.39Å; E337-L339 PolarHBondContact O-N 2.68Å; E337-K368 HydrophobicContact CG-CG 4.4Å; E337-K368 WeakPolarHBondContact OE1-CA 3.44Å; E337-S371 WeakPolarHBondContact OE1-CB 3.27Å
338	L	83.8	Confident	75.7	Confident	42 Å²	42	47.6 Å²	47.6	22%	0.22	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.7	-5	179.7	-67.9	173.5	0	0	0	114.9	K334 I336 Q340 E341 S342	K334-L338 HydrophobicContact CG-CD1 4.1Å; K334-L338 WeakPolarHBondContact O-CB 3.46Å; K334-L338 VanDerWaalsContact O-CG 3.3Å; K334-L338 WeakPolarHBondContact O-CG 3.4Å; K334-L338 PolarHBondContact O-N 3.2Å; I336-L338 VanDerWaalsContact C-N 3.26Å; I336-L338 PolarHBondContact O-N 3.45Å; L338-Q340 VanDerWaalsContact C-N 3.29Å; L338-Q340 PolarHBondContact O-N 2.93Å; L338-E341 PolarHBondContact O-N 3.43Å; L338-E341 VanDerWaalsContact O-N 3.13Å; L338-S342 WeakPolarHBondContact O-CB 3.36Å; L338-S342 PolarHBondContact O-N 3.34Å; L338-S342 PolarHBondContact O-OG 3.47Å
339	L	83.8	Confident	75.2	Confident	0 Å²	0	49.3 Å²	49.3	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-56.2	-43.3	-178.8	-92.5	169	0	0	0	112.6	R69 F329 D335 I336 E337 E341 S342 F363	R69-L339 HydrophobicContact CG-CD2 3.99Å; R69-L339 HydrophobicContact CG-CG 4.23Å; R69-L339 WeakPolarHBondContact O-CD2 3.47Å; F329-L339 HydrophobicContact CE1-CD1 4.01Å; F329-L339 HydrophobicContact CE1-CD2 4.26Å; F329-L339 HydrophobicContact CE1-CG 4.25Å; F329-L339 HydrophobicContact CZ-CD1 4.07Å; D335-L339 PolarHBondContact O-N 2.77Å; I336-L339 HydrophobicContact CG1-CD1 4.32Å; I336-L339 WeakPolarHBondContact O-CB 3.45Å; I336-L339 PolarHBondContact O-N 3.36Å; E337-L339 PolarHBondContact O-N 2.68Å; L339-E341 VanDerWaalsContact C-N 3.3Å; L339-E341 PolarHBondContact O-N 3.43Å; L339-S342 PolarHBondContact O-N 3.07Å; L339-F363 HydrophobicContact CB-CB 4.42Å; L339-F363 HydrophobicContact CD1-CB 4.01Å; L339-F363 HydrophobicContact CD1-CD1 3.55Å; L339-F363 HydrophobicContact CD1-CD2 4.34Å; L339-F363 HydrophobicContact CD1-CE1 4.02Å; L339-F363 HydrophobicContact CD1-CG 3.7Å
340	Q	76.5	Confident	74.7	Confident	82 Å²	82	53.8 Å²	53.8	38%	0.383	30%	0.304	S	S	.	.	H	α-helix	trans	-68.6	-28	-178.9	-167.7	-179.8	-10.3	0	0	112.4	L338 S343 E357	L338-Q340 VanDerWaalsContact C-N 3.29Å; L338-Q340 PolarHBondContact O-N 2.93Å; Q340-S343 PolarHBondContact O-OG 3.25Å; Q340-E357 WeakPolarHBondContact O-CG 3.31Å
341	E	71.1	Confident	75	Confident	143 Å²	143	59.3 Å²	59.3	67%	0.668	32%	0.32	S	S	*	.	H	α-helix	trans	-87.2	-27	178.8	-60.9	-177.7	178.5	0	0	112.1	L338 L339 S343	L338-E341 PolarHBondContact O-N 3.43Å; L338-E341 VanDerWaalsContact O-N 3.13Å; L339-E341 VanDerWaalsContact C-N 3.3Å; L339-E341 PolarHBondContact O-N 3.43Å; E341-S343 PolarHBondContact O-N 3.41Å
342	S	64.6	Low	75.3	Confident	6 Å²	6	55.4 Å²	55.4	4%	0.042	30%	0.302	C	S	.	.	H	α-helix	trans	-72.8	-22.9	-172.9	-59.4	0	0	0	0	113.9	R69 L338 L339 G344 S345 I346	R69-S342 VanDerWaalsContact CD-OG 3.32Å; R69-S342 WeakPolarHBondContact CD-OG 3.39Å; R69-S342 PolarHBondContact NH1-OG 3.01Å; L338-S342 WeakPolarHBondContact O-CB 3.36Å; L338-S342 PolarHBondContact O-N 3.34Å; L338-S342 PolarHBondContact O-OG 3.47Å; L339-S342 PolarHBondContact O-N 3.07Å; S342-G344 VanDerWaalsContact C-N 3.29Å; S342-G344 PolarHBondContact O-N 3.02Å; S342-S345 PolarHBondContact O-OG 3.47Å; S342-I346 VanDerWaalsContact O-CD1 3.25Å; S342-I346 WeakPolarHBondContact O-CD1 3.36Å; S342-I346 WeakPolarHBondContact O-CG1 3.49Å
343	S	64.4	Low	75.5	Confident	0 Å²	0	55.1 Å²	55.1	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-67.6	-24	178.6	34.2	0	0	0	0	114.3	Q340 E341 S353 E357	Q340-S343 PolarHBondContact O-OG 3.25Å; E341-S343 PolarHBondContact O-N 3.41Å; S343-S353 VanDerWaalsContact O-CB 3.27Å; S343-S353 WeakPolarHBondContact O-CB 3.3Å; S343-S353 PolarHBondContact O-OG 3.39Å; S343-E357 VanDerWaalsContact OG-CG 3.27Å; S343-E357 WeakPolarHBondContact OG-CG 3.43Å
344	G	58.9	Low	75.6	Confident	42 Å²	42	57.4 Å²	57.4	43%	0.433	31%	0.314	S	S	.	.	H	α-helix	trans	-84	-25.2	-178.2	0	0	0	0	0	115.1	S342	S342-G344 VanDerWaalsContact C-N 3.29Å; S342-G344 PolarHBondContact O-N 3.02Å
345	S	60.9	Low	75.8	Confident	95 Å²	95	52.9 Å²	52.9	66%	0.664	30%	0.295	S	S	*	.	H	α-helix	trans	-95.1	-17.8	-173.3	58.4	0	0	0	0	114.6	S342	S342-S345 PolarHBondContact O-OG 3.47Å
346	I	64.9	Low	75.9	Confident	50 Å²	50	52.9 Å²	52.9	26%	0.256	30%	0.295	S	S	.	.	H	α-helix	trans	-93.5	-29.4	-175.2	-61.4	168.7	0	0	0	112	S66 L67 L70 S342	S66-I346 VanDerWaalsContact C-CD1 3.43Å; S66-I346 VanDerWaalsContact O-CD1 3.24Å; S66-I346 WeakPolarHBondContact O-CD1 3.49Å; L67-I346 HydrophobicContact CD1-CG2 3.71Å; L70-I346 HydrophobicContact CB-CD1 4.16Å; L70-I346 HydrophobicContact CD2-CD1 4.03Å; L70-I346 HydrophobicContact CD2-CG2 4.49Å; S342-I346 VanDerWaalsContact O-CD1 3.25Å; S342-I346 WeakPolarHBondContact O-CD1 3.36Å; S342-I346 WeakPolarHBondContact O-CG1 3.49Å
347	L	66.6	Low	75.8	Confident	32 Å²	32	56.2 Å²	56.2	17%	0.168	31%	0.311	C	S	.	.			trans	-110.5	132.7	-165.8	-67.1	172.4	0	0	0	113	S349 V352 L356 F767	L347-S349 PolarHBondContact O-N 3.39Å; L347-V352 HydrophobicContact CD1-CB 4.47Å; L347-V352 HydrophobicContact CD1-CG1 3.87Å; L347-L356 HydrophobicContact CD1-CD1 3.5Å; L347-F767 HydrophobicContact CD1-CD1 4.38Å; L347-F767 HydrophobicContact CD1-CE1 3.8Å; L347-F767 HydrophobicContact CD1-CZ 4.28Å; L347-F767 HydrophobicContact CD2-CD1 4.08Å; L347-F767 HydrophobicContact CD2-CD2 4.16Å; L347-F767 HydrophobicContact CD2-CE1 3.75Å; L347-F767 HydrophobicContact CD2-CE2 3.81Å; L347-F767 HydrophobicContact CD2-CG 4.3Å; L347-F767 HydrophobicContact CD2-CZ 3.64Å; L347-F767 HydrophobicContact CG-CE1 4.38Å; L347-F767 HydrophobicContact CG-CZ 4.43Å
348	N	66.6	Low	76	Confident	180 Å²	180	56.6 Å²	56.6	96%	0.963	32%	0.318	S	S	*	.	S	Bend	trans	-76.8	-1.4	174.3	-68.1	-35.9	0	0	0	113.8
349	S	75.4	Confident	76.2	Confident	35 Å²	35	54.9 Å²	54.9	25%	0.245	31%	0.31	C	S	.	.			trans	-112.3	102.5	177.6	-178.2	0	0	0	0	111	L347 R351 V352 S353 E771	L347-S349 PolarHBondContact O-N 3.39Å; S349-R351 PolarHBondContact O-N 2.95Å; S349-R351 VanDerWaalsContact O-N 3.14Å; S349-V352 PolarHBondContact O-N 3.18Å; S349-V352 VanDerWaalsContact O-N 3.08Å; S349-S353 PolarHBondContact O-N 2.84Å; S349-S353 PolarHBondContact O-OG 3.46Å; S349-E771 PolarHBondContact OG-OE1 3.18Å
350	S	76.6	Confident	76.4	Confident	100 Å²	100	54.9 Å²	54.9	70%	0.699	31%	0.31	S	S	*	.	H	α-helix	trans	-59.5	-24.6	178.2	56.9	0	0	0	0	113.9	S354	S350-S354 WeakPolarHBondContact O-CB 3.32Å; S350-S354 PolarHBondContact O-N 2.54Å; S350-S354 VanDerWaalsContact O-N 3.13Å
351	R	79.6	Confident	76.8	Confident	159 Å²	159	58.2 Å²	58.2	60%	0.6	32%	0.323	S	S	*	.	H	α-helix	trans	-69.7	-47.7	173.7	-68.8	-175.4	177.2	-171.8	-0.4	111.6	S349 S354 S355 F775	S349-R351 PolarHBondContact O-N 2.95Å; S349-R351 VanDerWaalsContact O-N 3.14Å; R351-S354 PolarHBondContact O-N 2.73Å; R351-S355 PolarHBondContact O-N 3.44Å; R351-S355 VanDerWaalsContact O-N 3.15Å; R351-S355 PolarHBondContact O-OG 2.98Å; R351-F775 HydrophobicContact CB-CE2 4.02Å; R351-F775 HydrophobicContact CB-CZ 4.17Å
352	V	83.6	Confident	77.5	Confident	4 Å²	4	53 Å²	53	2%	0.024	30%	0.302	C	S	.	.	H	α-helix	trans	-66	-42.8	179	178.4	0	0	0	0	110.4	L347 S349 S354 S355 L356 F767 Y770 E771	L347-V352 HydrophobicContact CD1-CB 4.47Å; L347-V352 HydrophobicContact CD1-CG1 3.87Å; S349-V352 PolarHBondContact O-N 3.18Å; S349-V352 VanDerWaalsContact O-N 3.08Å; V352-S354 PolarHBondContact O-N 2.71Å; V352-S355 PolarHBondContact O-N 2.85Å; V352-L356 HydrophobicContact CG1-CD1 3.9Å; V352-L356 HydrophobicContact CG1-CG 4.48Å; V352-L356 WeakPolarHBondContact O-CG 3.42Å; V352-L356 PolarHBondContact O-N 3.2Å; V352-F767 HydrophobicContact CG1-CD1 4Å; V352-F767 HydrophobicContact CG1-CE1 4.46Å; V352-Y770 HydrophobicContact CG1-CD1 3.97Å; V352-Y770 HydrophobicContact CG1-CE1 4.27Å; V352-E771 HydrophobicContact CG2-CB 3.92Å; V352-E771 HydrophobicContact CG2-CG 4.02Å
353	S	83.1	Confident	78.6	Confident	6 Å²	6	52.7 Å²	52.7	4%	0.042	30%	0.3	C	S	.	.	H	α-helix	trans	-55.3	-52	174	-61.5	0	0	0	0	112.5	S343 S349 S355 L356 E357	S343-S353 VanDerWaalsContact O-CB 3.27Å; S343-S353 WeakPolarHBondContact O-CB 3.3Å; S343-S353 PolarHBondContact O-OG 3.39Å; S349-S353 PolarHBondContact O-N 2.84Å; S349-S353 PolarHBondContact O-OG 3.46Å; S353-S355 VanDerWaalsContact C-N 3.31Å; S353-S355 PolarHBondContact O-N 3.36Å; S353-L356 WeakPolarHBondContact O-CB 3.48Å; S353-L356 PolarHBondContact O-N 3.44Å; S353-L356 VanDerWaalsContact O-N 3.1Å; S353-E357 WeakPolarHBondContact O-CG 3.4Å; S353-E357 PolarHBondContact O-N 3.39Å
354	S	84.6	Confident	79.5	Confident	61 Å²	61	53.3 Å²	53.3	43%	0.427	31%	0.306	S	S	.	.	H	α-helix	trans	-65	-33	-177.7	-172.5	0	0	0	0	113.2	S350 R351 V352 T358	S350-S354 WeakPolarHBondContact O-CB 3.32Å; S350-S354 PolarHBondContact O-N 2.54Å; S350-S354 VanDerWaalsContact O-N 3.13Å; R351-S354 PolarHBondContact O-N 2.73Å; V352-S354 PolarHBondContact O-N 2.71Å; S354-T358 WeakPolarHBondContact O-CB 3.36Å; S354-T358 PolarHBondContact O-N 3.35Å; S354-T358 VanDerWaalsContact O-N 3.11Å; S354-T358 PolarHBondContact O-OG1 3.45Å
355	S	87.8	Confident	80.7	Confident	10 Å²	10	54.1 Å²	54.1	7%	0.07	31%	0.305	C	S	.	.	H	α-helix	trans	-69.6	-36.4	172.2	-69.1	0	0	0	0	112.8	R351 V352 S353 T358 A359 E610 L774	R351-S355 PolarHBondContact O-N 3.44Å; R351-S355 VanDerWaalsContact O-N 3.15Å; R351-S355 PolarHBondContact O-OG 2.98Å; V352-S355 PolarHBondContact O-N 2.85Å; S353-S355 VanDerWaalsContact C-N 3.31Å; S353-S355 PolarHBondContact O-N 3.36Å; S355-T358 WeakPolarHBondContact O-CB 3.47Å; S355-T358 PolarHBondContact O-N 2.86Å; S355-A359 PolarHBondContact O-N 3.38Å; S355-E610 WeakPolarHBondContact O-CB 3.43Å; S355-L774 VanDerWaalsContact CB-CD1 3.49Å
356	L	88.6	Confident	82.1	Confident	0 Å²	0	49.6 Å²	49.6	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-68.1	-42.9	173.7	-71.3	165.2	0	0	0	112.1	L70 I74 L347 V352 S353 T358 A359 F360 L614 F767 Y770	L70-L356 HydrophobicContact CD1-CD1 4.43Å; I74-L356 HydrophobicContact CG1-CD2 4.37Å; L347-L356 HydrophobicContact CD1-CD1 3.5Å; V352-L356 HydrophobicContact CG1-CD1 3.9Å; V352-L356 HydrophobicContact CG1-CG 4.48Å; V352-L356 WeakPolarHBondContact O-CG 3.42Å; V352-L356 PolarHBondContact O-N 3.2Å; S353-L356 WeakPolarHBondContact O-CB 3.48Å; S353-L356 PolarHBondContact O-N 3.44Å; S353-L356 VanDerWaalsContact O-N 3.1Å; L356-T358 PolarHBondContact O-N 2.94Å; L356-A359 PolarHBondContact O-N 3.38Å; L356-A359 VanDerWaalsContact O-N 3.15Å; L356-F360 HydrophobicContact CB-CD2 4.36Å; L356-F360 HydrophobicContact CB-CE2 3.95Å; L356-F360 HydrophobicContact CD2-CE2 4.02Å; L356-F360 HydrophobicContact CD2-CZ 4.05Å; L356-F360 WeakPolarHBondContact O-CD2 3.33Å; L356-F360 WeakPolarHBondContact O-CG 3.39Å; L356-F360 PolarHBondContact O-N 3.08Å; L356-L614 HydrophobicContact CD2-CD2 3.74Å; L356-F767 HydrophobicContact CD1-CE1 4.11Å; L356-Y770 HydrophobicContact CD2-CE1 3.95Å; L356-Y770 HydrophobicContact CG-CE1 3.99Å
357	E	86.8	Confident	83.1	Confident	69 Å²	69	47.2 Å²	47.2	32%	0.322	26%	0.261	S	S	.	.	H	α-helix	trans	-54.6	-39.7	171.7	-70.1	169.2	-165.5	0	0	111.8	Q340 S343 S353 K361	Q340-E357 WeakPolarHBondContact O-CG 3.31Å; S343-E357 VanDerWaalsContact OG-CG 3.27Å; S343-E357 WeakPolarHBondContact OG-CG 3.43Å; S353-E357 WeakPolarHBondContact O-CG 3.4Å; S353-E357 PolarHBondContact O-N 3.39Å; E357-K361 PolarHBondContact O-N 2.97Å
358	T	87.1	Confident	84.1	Confident	73 Å²	73	51.5 Å²	51.5	45%	0.448	28%	0.279	S	S	.	.	H	α-helix	trans	-69.4	-42.8	177.9	-59.6	0	0	0	0	111.7	S354 S355 L356 K361 E610	S354-T358 WeakPolarHBondContact O-CB 3.36Å; S354-T358 PolarHBondContact O-N 3.35Å; S354-T358 VanDerWaalsContact O-N 3.11Å; S354-T358 PolarHBondContact O-OG1 3.45Å; S355-T358 WeakPolarHBondContact O-CB 3.47Å; S355-T358 PolarHBondContact O-N 2.86Å; L356-T358 PolarHBondContact O-N 2.94Å; T358-K361 WeakPolarHBondContact O-CB 3.39Å; T358-E610 HydrophobicContact CG2-CB 4.42Å; T358-E610 HydrophobicContact CG2-CG 4.03Å
359	A	87.9	Confident	85.2	Confident	6 Å²	6	44.7 Å²	44.7	5%	0.05	24%	0.242	C	C	.	.	H	α-helix	trans	-62.8	-43.1	174.8	0	0	0	0	0	111.7	S355 L356 K361 E610 A611 L614	S355-A359 PolarHBondContact O-N 3.38Å; L356-A359 PolarHBondContact O-N 3.38Å; L356-A359 VanDerWaalsContact O-N 3.15Å; A359-K361 VanDerWaalsContact C-N 3.27Å; A359-K361 PolarHBondContact O-N 3.38Å; A359-E610 HydrophobicContact CB-CB 4.25Å; A359-A611 HydrophobicContact CB-CB 4.24Å; A359-L614 HydrophobicContact CB-CD1 4.06Å
360	F	89.4	Confident	85.9	Confident	0 Å²	0	43.1 Å²	43.1	0%	0	23%	0.231	C	C	.	.	G	3₁₀ helix	trans	-81.7	5.7	-176	-57.8	-43.7	0	0	0	115.8	L70 I74 L356 S362 F363	L70-F360 HydrophobicContact CD1-CE2 3.49Å; L70-F360 VanDerWaalsContact CD1-CE2 3.49Å; L70-F360 HydrophobicContact CD1-CZ 3.98Å; I74-F360 HydrophobicContact CG1-CE1 4.44Å; I74-F360 HydrophobicContact CG1-CZ 3.72Å; L356-F360 HydrophobicContact CB-CD2 4.36Å; L356-F360 HydrophobicContact CB-CE2 3.95Å; L356-F360 HydrophobicContact CD2-CE2 4.02Å; L356-F360 HydrophobicContact CD2-CZ 4.05Å; L356-F360 WeakPolarHBondContact O-CD2 3.33Å; L356-F360 WeakPolarHBondContact O-CG 3.39Å; L356-F360 PolarHBondContact O-N 3.08Å; F360-S362 PolarHBondContact O-N 2.9Å; F360-F363 HydrophobicContact CB-CD2 3.99Å; F360-F363 AromaticContact CD1-CD2 3.75Å; F360-F363 HydrophobicContact CD1-CD2 3.75Å; F360-F363 AromaticContact CD1-CE2 3.69Å; F360-F363 HydrophobicContact CD1-CE2 3.69Å; F360-F363 HydrophobicContact CE1-CE2 4.37Å; F360-F363 HydrophobicContact CG-CD2 4.29Å; F360-F363 WeakPolarHBondContact O-CB 3.31Å; F360-F363 PolarHBondContact O-N 2.64Å
361	K	85.3	Confident	86.5	Confident	152 Å²	152	40.5 Å²	40.5	66%	0.661	21%	0.213	S	C	*	.	G	3₁₀ helix	trans	-51.9	-29.8	-176.6	-174.1	177.4	179.2	-179.1	0	114.4	E357 T358 A359	E357-K361 PolarHBondContact O-N 2.97Å; T358-K361 WeakPolarHBondContact O-CB 3.39Å; A359-K361 VanDerWaalsContact C-N 3.27Å; A359-K361 PolarHBondContact O-N 3.38Å
362	S	84.1	Confident	86.9	Confident	33 Å²	33	36.5 Å²	36.5	23%	0.231	20%	0.203	C	C	.	.	G	3₁₀ helix	trans	-74.8	-31.7	177	-58.6	0	0	0	0	113.6	F360 G364 S365 F366	F360-S362 PolarHBondContact O-N 2.9Å; S362-G364 VanDerWaalsContact C-N 3.34Å; S362-G364 PolarHBondContact O-N 3.42Å; S362-S365 PolarHBondContact O-N 3.02Å; S362-S365 VanDerWaalsContact O-N 3.13Å; S362-F366 PolarHBondContact O-N 3.18Å
363	F	87.6	Confident	87.2	Confident	0 Å²	0	36.3 Å²	36.3	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-64.7	-34.2	-176.2	-75.4	-87.2	0	0	0	112.9	L76 E77 I336 L339 F360 S365 F366 G367 M603	L76-F363 HydrophobicContact CB-CE1 4.33Å; L76-F363 HydrophobicContact CB-CZ 4.22Å; L76-F363 HydrophobicContact CD2-CE1 3.81Å; L76-F363 HydrophobicContact CD2-CZ 4.49Å; L76-F363 HydrophobicContact CG-CE1 4.02Å; L76-F363 HydrophobicContact CG-CZ 4.22Å; E77-F363 HydrophobicContact CB-CE2 3.94Å; E77-F363 HydrophobicContact CB-CZ 4.11Å; E77-F363 HydrophobicContact CG-CE2 4.41Å; E77-F363 WeakPolarHBondContact OE2-CE2 3.33Å; I336-F363 HydrophobicContact CG2-CB 4.12Å; I336-F363 HydrophobicContact CG2-CD1 3.96Å; L339-F363 HydrophobicContact CB-CB 4.42Å; L339-F363 HydrophobicContact CD1-CB 4.01Å; L339-F363 HydrophobicContact CD1-CD1 3.55Å; L339-F363 HydrophobicContact CD1-CD2 4.34Å; L339-F363 HydrophobicContact CD1-CE1 4.02Å; L339-F363 HydrophobicContact CD1-CG 3.7Å; F360-F363 HydrophobicContact CB-CD2 3.99Å; F360-F363 AromaticContact CD1-CD2 3.75Å; F360-F363 HydrophobicContact CD1-CD2 3.75Å; F360-F363 AromaticContact CD1-CE2 3.69Å; F360-F363 HydrophobicContact CD1-CE2 3.69Å; F360-F363 HydrophobicContact CE1-CE2 4.37Å; F360-F363 HydrophobicContact CG-CD2 4.29Å; F360-F363 WeakPolarHBondContact O-CB 3.31Å; F360-F363 PolarHBondContact O-N 2.64Å; F363-S365 PolarHBondContact O-N 3.21Å; F363-S365 VanDerWaalsContact O-N 3.14Å; F363-F366 HydrophobicContact CD1-CD1 4.31Å; F363-F366 PolarHBondContact O-N 2.95Å; F363-F366 VanDerWaalsContact O-N 3.11Å; F363-G367 PolarHBondContact O-N 3.11Å; F363-M603 HydrophobicContact CD1-CE 3.77Å; F363-M603 HydrophobicContact CD2-CE 3.65Å; F363-M603 HydrophobicContact CE1-CE 3.52Å; F363-M603 HydrophobicContact CE2-CE 3.38Å; F363-M603 HydrophobicContact CG-CE 3.86Å; F363-M603 HydrophobicContact CZ-CE 3.33Å
364	G	83.6	Confident	87.4	Confident	12 Å²	12	39 Å²	39	12%	0.124	21%	0.214	C	C	.	.	H	α-helix	trans	-63.6	-18.7	176.4	0	0	0	0	0	114.4	S362 K368	S362-G364 VanDerWaalsContact C-N 3.34Å; S362-G364 PolarHBondContact O-N 3.42Å; G364-K368 WeakPolarHBondContact O-CD 3.43Å; G364-K368 WeakPolarHBondContact O-CE 3.47Å; G364-K368 WeakPolarHBondContact O-CG 3.45Å
365	S	85.4	Confident	87.5	Confident	59 Å²	59	39.3 Å²	39.3	41%	0.413	22%	0.216	S	C	.	.	H	α-helix	trans	-89.4	-43.4	169.6	-54.7	0	0	0	0	111.1	S362 F363 G367 K368 D369	S362-S365 PolarHBondContact O-N 3.02Å; S362-S365 VanDerWaalsContact O-N 3.13Å; F363-S365 PolarHBondContact O-N 3.21Å; F363-S365 VanDerWaalsContact O-N 3.14Å; S365-G367 PolarHBondContact O-N 3.34Å; S365-K368 PolarHBondContact O-N 2.99Å; S365-D369 PolarHBondContact O-N 2.9Å; S365-D369 VanDerWaalsContact O-N 3.08Å
366	F	88.6	Confident	87.5	Confident	0 Å²	0	39.4 Å²	39.4	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-59.5	-45.3	178.6	-171.2	-126.7	0	0	0	112.5	F80 I91 L94 I336 S362 F363 K368 D369 I370 L596 M599 A600 M603	F80-F366 HydrophobicContact CE2-CE1 4.42Å; F80-F366 HydrophobicContact CZ-CE1 4.49Å; F80-F366 HydrophobicContact CZ-CZ 4.42Å; I91-F366 HydrophobicContact CG1-CE2 4.22Å; I91-F366 HydrophobicContact CG1-CZ 4.1Å; L94-F366 HydrophobicContact CD1-CE1 3.57Å; L94-F366 HydrophobicContact CD1-CZ 3.66Å; I336-F366 HydrophobicContact CD1-CD1 4.42Å; I336-F366 HydrophobicContact CD1-CE1 4.42Å; I336-F366 HydrophobicContact CG2-CD1 4.28Å; S362-F366 PolarHBondContact O-N 3.18Å; F363-F366 HydrophobicContact CD1-CD1 4.31Å; F363-F366 PolarHBondContact O-N 2.95Å; F363-F366 VanDerWaalsContact O-N 3.11Å; F366-K368 PolarHBondContact O-N 3.11Å; F366-D369 PolarHBondContact O-N 3.34Å; F366-D369 VanDerWaalsContact O-N 3.16Å; F366-I370 HydrophobicContact CD1-CD1 3.94Å; F366-I370 HydrophobicContact CE1-CD1 3.96Å; F366-I370 HydrophobicContact CG-CD1 4.3Å; F366-I370 HydrophobicContact CZ-CD1 4.33Å; F366-I370 WeakPolarHBondContact O-CD1 3.36Å; F366-I370 VanDerWaalsContact O-CG1 3.27Å; F366-I370 WeakPolarHBondContact O-CG1 3.34Å; F366-I370 PolarHBondContact O-N 3.29Å; F366-L596 HydrophobicContact CD2-CD2 3.83Å; F366-L596 HydrophobicContact CE2-CD2 3.75Å; F366-M599 HydrophobicContact CB-CG 4.12Å; F366-M599 HydrophobicContact CD2-CB 4.06Å; F366-M599 HydrophobicContact CD2-CG 4.14Å; F366-A600 HydrophobicContact CE2-CB 4.35Å; F366-M603 HydrophobicContact CB-SD 4.29Å; F366-M603 HydrophobicContact CD1-SD 4.4Å; F366-M603 HydrophobicContact CG-SD 4.22Å
367	G	87.7	Confident	87.4	Confident	0 Å²	0	39.5 Å²	39.5	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-53.8	-48.2	174.7	0	0	0	0	0	113	I336 F363 S365 D369 I370 S371	I336-G367 VanDerWaalsContact CG2-CA 3.5Å; F363-G367 PolarHBondContact O-N 3.11Å; S365-G367 PolarHBondContact O-N 3.34Å; G367-D369 PolarHBondContact O-N 3.16Å; G367-I370 WeakPolarHBondContact O-CB 3.48Å; G367-I370 PolarHBondContact O-N 3.42Å; G367-I370 VanDerWaalsContact O-N 3.14Å; G367-S371 PolarHBondContact O-N 3.36Å
368	K	87.2	Confident	87.5	Confident	123 Å²	123	44 Å²	44	54%	0.535	24%	0.235	S	C	.	.	H	α-helix	trans	-63.1	-40.4	177.6	-68.9	174.6	-175.1	170.3	0	112.1	E337 G364 S365 F366 I370 S371 N372	E337-K368 HydrophobicContact CG-CG 4.4Å; E337-K368 WeakPolarHBondContact OE1-CA 3.44Å; G364-K368 WeakPolarHBondContact O-CD 3.43Å; G364-K368 WeakPolarHBondContact O-CE 3.47Å; G364-K368 WeakPolarHBondContact O-CG 3.45Å; S365-K368 PolarHBondContact O-N 2.99Å; F366-K368 PolarHBondContact O-N 3.11Å; K368-I370 VanDerWaalsContact C-N 3.29Å; K368-I370 PolarHBondContact O-N 3.27Å; K368-S371 PolarHBondContact O-N 3.05Å; K368-N372 WeakPolarHBondContact O-CB 3.34Å; K368-N372 PolarHBondContact O-N 3.46Å; K368-N372 PolarHBondContact O-ND2 2.78Å
369	D	89.6	Confident	87.5	Confident	37 Å²	37	41.7 Å²	41.7	20%	0.198	22%	0.222	C	C	.	.	H	α-helix	trans	-65.2	-32.9	176.4	-72.9	-21.3	0	0	0	111.9	S365 F366 G367 F373 L596	S365-D369 PolarHBondContact O-N 2.9Å; S365-D369 VanDerWaalsContact O-N 3.08Å; F366-D369 PolarHBondContact O-N 3.34Å; F366-D369 VanDerWaalsContact O-N 3.16Å; G367-D369 PolarHBondContact O-N 3.16Å; D369-F373 PolarHBondContact O-N 2.88Å; D369-F373 VanDerWaalsContact O-N 3.08Å; D369-L596 HydrophobicContact CB-CD2 3.49Å; D369-L596 VanDerWaalsContact CB-CD2 3.49Å; D369-L596 HydrophobicContact CB-CG 3.96Å
370	I	89.8	Confident	87.6	Confident	1 Å²	1	41.4 Å²	41.4	1%	0.005	22%	0.22	C	C	.	.	H	α-helix	trans	-69.4	-50	174.4	-57.7	154	0	0	0	109.6	L94 L95 I336 F366 G367 K368 N372 F373 E374 L596	L94-I370 HydrophobicContact CD1-CD1 3.54Å; L94-I370 HydrophobicContact CD1-CG1 4.21Å; L94-I370 HydrophobicContact CD2-CD1 3.98Å; L94-I370 HydrophobicContact CG-CD1 4.28Å; L95-I370 HydrophobicContact CD2-CG2 3.88Å; I336-I370 HydrophobicContact CD1-CD1 3.8Å; I336-I370 HydrophobicContact CG2-CD1 4.48Å; F366-I370 HydrophobicContact CD1-CD1 3.94Å; F366-I370 HydrophobicContact CE1-CD1 3.96Å; F366-I370 HydrophobicContact CG-CD1 4.3Å; F366-I370 HydrophobicContact CZ-CD1 4.33Å; F366-I370 WeakPolarHBondContact O-CD1 3.36Å; F366-I370 VanDerWaalsContact O-CG1 3.27Å; F366-I370 WeakPolarHBondContact O-CG1 3.34Å; F366-I370 PolarHBondContact O-N 3.29Å; G367-I370 WeakPolarHBondContact O-CB 3.48Å; G367-I370 PolarHBondContact O-N 3.42Å; G367-I370 VanDerWaalsContact O-N 3.14Å; K368-I370 VanDerWaalsContact C-N 3.29Å; K368-I370 PolarHBondContact O-N 3.27Å; I370-N372 VanDerWaalsContact C-N 3.29Å; I370-N372 PolarHBondContact O-N 2.77Å; I370-F373 WeakPolarHBondContact O-CA 3.45Å; I370-F373 WeakPolarHBondContact O-CB 3.3Å; I370-F373 PolarHBondContact O-N 3.1Å; I370-E374 HydrophobicContact CG2-CG 4.39Å; I370-E374 WeakPolarHBondContact O-CG 3.25Å; I370-E374 PolarHBondContact O-N 3.27Å; I370-L596 HydrophobicContact CB-CD2 4.46Å; I370-L596 HydrophobicContact CG1-CD2 3.57Å
371	S	88.6	Confident	87.6	Confident	45 Å²	45	44.8 Å²	44.8	32%	0.315	24%	0.238	S	C	.	.	H	α-helix	trans	-58.5	-39	176.4	-177.4	0	0	0	0	112.4	E337 G367 K368 F373 E374 S375	E337-S371 WeakPolarHBondContact OE1-CB 3.27Å; G367-S371 PolarHBondContact O-N 3.36Å; K368-S371 PolarHBondContact O-N 3.05Å; S371-F373 VanDerWaalsContact C-N 3.34Å; S371-F373 PolarHBondContact O-N 3.2Å; S371-E374 PolarHBondContact O-N 3.32Å; S371-S375 WeakPolarHBondContact O-CB 3.34Å; S371-S375 PolarHBondContact O-N 3.34Å; S371-S375 PolarHBondContact O-OG 2.89Å
372	N	87.9	Confident	87.8	Confident	76 Å²	76	43.4 Å²	43.4	41%	0.406	23%	0.232	S	C	.	.	H	α-helix	trans	-63.6	-35.4	172.4	-75.9	-30.4	0	0	0	112.6	K368 I370 S375 K592	K368-N372 WeakPolarHBondContact O-CB 3.34Å; K368-N372 PolarHBondContact O-N 3.46Å; K368-N372 PolarHBondContact O-ND2 2.78Å; I370-N372 VanDerWaalsContact C-N 3.29Å; I370-N372 PolarHBondContact O-N 2.77Å; N372-S375 WeakPolarHBondContact CA-OG 3.44Å; N372-S375 PolarHBondContact O-OG 3.22Å; N372-K592 VanDerWaalsContact O-CD 3.31Å; N372-K592 WeakPolarHBondContact O-CD 3.21Å; N372-K592 WeakPolarHBondContact O-CE 3.22Å; N372-K592 PolarHBondContact O-NZ 2.95Å
373	F	90	Very high	88	Confident	0 Å²	0	51.6 Å²	51.6	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-71.5	-50.2	174.1	179.6	-76.6	0	0	0	111.3	L95 M105 D369 I370 S371 S375 S376 W377 K592 L593 L596	L95-F373 HydrophobicContact CB-CE1 4.38Å; L95-F373 HydrophobicContact CD1-CD1 3.87Å; L95-F373 HydrophobicContact CD1-CD2 4.2Å; L95-F373 HydrophobicContact CD1-CE1 3.72Å; L95-F373 HydrophobicContact CD1-CE2 4.04Å; L95-F373 HydrophobicContact CD1-CG 4.11Å; L95-F373 HydrophobicContact CD1-CZ 3.8Å; L95-F373 HydrophobicContact CD2-CB 4.4Å; L95-F373 HydrophobicContact CD2-CD1 3.38Å; L95-F373 HydrophobicContact CD2-CE1 3.79Å; L95-F373 HydrophobicContact CD2-CG 4Å; L95-F373 HydrophobicContact CG-CD1 4.18Å; L95-F373 HydrophobicContact CG-CE1 4.17Å; M105-F373 HydrophobicContact CE-CE2 4.5Å; M105-F373 HydrophobicContact CE-CZ 3.88Å; M105-F373 HydrophobicContact SD-CE2 3.65Å; M105-F373 HydrophobicContact SD-CZ 3.58Å; M105-F373 VanDerWaalsContact SD-CZ 3.58Å; D369-F373 PolarHBondContact O-N 2.88Å; D369-F373 VanDerWaalsContact O-N 3.08Å; I370-F373 WeakPolarHBondContact O-CA 3.45Å; I370-F373 WeakPolarHBondContact O-CB 3.3Å; I370-F373 PolarHBondContact O-N 3.1Å; S371-F373 VanDerWaalsContact C-N 3.34Å; S371-F373 PolarHBondContact O-N 3.2Å; F373-S375 VanDerWaalsContact C-N 3.26Å; F373-S375 PolarHBondContact O-N 3.12Å; F373-S376 PolarHBondContact O-N 3.1Å; F373-S376 VanDerWaalsContact O-N 3.08Å; F373-W377 AromaticContact CD1-CD1 3.82Å; F373-W377 AromaticContact CE1-CD1 3.37Å; F373-W377 HydrophobicContact CE1-CD2 4.5Å; F373-W377 HydrophobicContact CE1-CG 4.1Å; F373-W377 AromaticContact CE1-NE1 3.38Å; F373-W377 AromaticContact CE2-NE1 3.85Å; F373-W377 AromaticContact CZ-CD1 3.7Å; F373-W377 AromaticContact CZ-CE2 3.91Å; F373-W377 HydrophobicContact CZ-CZ2 4.48Å; F373-W377 AromaticContact CZ-NE1 3.18Å; F373-W377 PolarHBondContact O-N 3.43Å; F373-K592 HydrophobicContact CB-CB 4.38Å; F373-K592 HydrophobicContact CD2-CB 4.25Å; F373-L593 HydrophobicContact CD2-CB 4.36Å; F373-L593 HydrophobicContact CE2-CB 4.11Å; F373-L596 HydrophobicContact CB-CD1 4.17Å; F373-L596 HydrophobicContact CD2-CD1 4.41Å; F373-L596 HydrophobicContact CG-CD1 4.45Å
374	E	87.9	Confident	88.1	Confident	62 Å²	62	54.5 Å²	54.5	29%	0.29	28%	0.282	S	S	.	.	H	α-helix	trans	-58.3	-38.6	-178.6	-69.3	179.6	128	0	0	112.2	L95 S333 I370 S371 S376 W377 K378	L95-E374 HydrophobicContact CD2-CG 4.37Å; S333-E374 VanDerWaalsContact CB-OE2 3.24Å; S333-E374 WeakPolarHBondContact CB-OE2 3.5Å; S333-E374 PolarHBondContact OG-OE2 3.41Å; I370-E374 HydrophobicContact CG2-CG 4.39Å; I370-E374 WeakPolarHBondContact O-CG 3.25Å; I370-E374 PolarHBondContact O-N 3.27Å; S371-E374 PolarHBondContact O-N 3.32Å; E374-S376 PolarHBondContact O-N 2.94Å; E374-W377 PolarHBondContact O-N 3.42Å; E374-K378 PolarHBondContact O-N 3.33Å
375	S	87.6	Confident	88.6	Confident	67 Å²	67	54.2 Å²	54.2	47%	0.469	28%	0.278	S	S	.	.	H	α-helix	trans	-64.2	-35.4	176.4	50.5	0	0	0	0	113.7	S371 N372 F373 W377 K378	S371-S375 WeakPolarHBondContact O-CB 3.34Å; S371-S375 PolarHBondContact O-N 3.34Å; S371-S375 PolarHBondContact O-OG 2.89Å; N372-S375 WeakPolarHBondContact CA-OG 3.44Å; N372-S375 PolarHBondContact O-OG 3.22Å; F373-S375 VanDerWaalsContact C-N 3.26Å; F373-S375 PolarHBondContact O-N 3.12Å; S375-W377 VanDerWaalsContact C-N 3.3Å; S375-W377 PolarHBondContact O-N 2.8Å; S375-K378 PolarHBondContact O-N 3.21Å
376	S	86.4	Confident	88.9	Confident	12 Å²	12	53.7 Å²	53.7	8%	0.084	27%	0.268	C	S	.	.	H	α-helix	trans	-66.1	-30.4	172.4	-92.1	0	0	0	0	113	F373 E374 S379 T380 K592	F373-S376 PolarHBondContact O-N 3.1Å; F373-S376 VanDerWaalsContact O-N 3.08Å; E374-S376 PolarHBondContact O-N 2.94Å; S376-S379 PolarHBondContact O-OG 2.98Å; S376-T380 PolarHBondContact O-OG1 3.1Å; S376-K592 PolarHBondContact OG-NZ 3.27Å
377	W	87.6	Confident	89.1	Confident	3 Å²	3	56.9 Å²	56.9	1%	0.011	29%	0.291	C	S	.	.	H	α-helix	trans	-81.7	-15.9	-180	-83.8	73.8	0	0	0	114.4	M105 L311 I312 K315 F373 E374 S375 S379 T380 L381 I586 S589	M105-W377 HydrophobicContact CE-CH2 4Å; M105-W377 HydrophobicContact CE-CZ2 3.33Å; M105-W377 HydrophobicContact SD-CZ2 3.69Å; L311-W377 HydrophobicContact CB-CH2 4.17Å; I312-W377 HydrophobicContact CG1-CZ3 4.33Å; K315-W377 HydrophobicContact CB-CZ3 4.15Å; K315-W377 HydrophobicContact CD-CD2 3.86Å; K315-W377 HydrophobicContact CD-CE3 3.29Å; K315-W377 HydrophobicContact CD-CH2 4.37Å; K315-W377 HydrophobicContact CD-CZ3 3.57Å; F373-W377 AromaticContact CD1-CD1 3.82Å; F373-W377 AromaticContact CE1-CD1 3.37Å; F373-W377 HydrophobicContact CE1-CD2 4.5Å; F373-W377 HydrophobicContact CE1-CG 4.1Å; F373-W377 AromaticContact CE1-NE1 3.38Å; F373-W377 AromaticContact CE2-NE1 3.85Å; F373-W377 AromaticContact CZ-CD1 3.7Å; F373-W377 AromaticContact CZ-CE2 3.91Å; F373-W377 HydrophobicContact CZ-CZ2 4.48Å; F373-W377 AromaticContact CZ-NE1 3.18Å; F373-W377 PolarHBondContact O-N 3.43Å; E374-W377 PolarHBondContact O-N 3.42Å; S375-W377 VanDerWaalsContact C-N 3.3Å; S375-W377 PolarHBondContact O-N 2.8Å; W377-S379 VanDerWaalsContact C-N 3.28Å; W377-S379 PolarHBondContact O-N 3.12Å; W377-T380 HydrophobicContact CE3-CG2 4.41Å; W377-T380 WeakPolarHBondContact O-CB 3.41Å; W377-T380 PolarHBondContact O-N 3.19Å; W377-T380 VanDerWaalsContact O-N 3.11Å; W377-L381 HydrophobicContact CE3-CD2 4.37Å; W377-L381 HydrophobicContact CE3-CG 4.46Å; W377-L381 WeakPolarHBondContact O-CG 3.48Å; W377-L381 PolarHBondContact O-N 3.42Å; W377-L381 VanDerWaalsContact O-N 3.08Å; W377-I586 HydrophobicContact CD2-CD1 4.46Å; W377-I586 HydrophobicContact CE3-CD1 4.42Å; W377-I586 HydrophobicContact CH2-CD1 3.29Å; W377-I586 HydrophobicContact CZ2-CD1 3.24Å; W377-I586 HydrophobicContact CZ3-CD1 3.91Å; W377-S589 PolarHBondContact NE1-OG 3.16Å
378	K	88.5	Confident	89.4	Confident	162 Å²	162	57.2 Å²	57.2	70%	0.704	29%	0.293	S	S	*	.	H	α-helix	trans	-64.4	-28.2	-174.5	-169.8	173.2	-176.8	172.9	0	113.7	E374 S375	E374-K378 PolarHBondContact O-N 3.33Å; S375-K378 PolarHBondContact O-N 3.21Å
379	S	87.7	Confident	89.7	Confident	25 Å²	25	51.4 Å²	51.4	18%	0.175	27%	0.268	C	S	.	.	H	α-helix	trans	-75.6	-45.9	170.1	46.3	0	0	0	0	111.4	S376 W377 L381 K382 N385 L581	S376-S379 PolarHBondContact O-OG 2.98Å; W377-S379 VanDerWaalsContact C-N 3.28Å; W377-S379 PolarHBondContact O-N 3.12Å; S379-L381 VanDerWaalsContact C-N 3.26Å; S379-L381 PolarHBondContact O-N 3.02Å; S379-K382 WeakPolarHBondContact O-CB 3.37Å; S379-K382 WeakPolarHBondContact O-CG 3.44Å; S379-K382 PolarHBondContact O-N 3.1Å; S379-K382 VanDerWaalsContact O-N 3.08Å; S379-N385 PolarHBondContact O-ND2 2.78Å; S379-L581 PolarHBondContact OG-O 3.43Å
380	T	89.5	Confident	89.9	Confident	0 Å²	0	52.6 Å²	52.6	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-57.6	-35.2	-176.6	-38.8	0	0	0	0	113	I312 S376 W377 K382 V582 I586	I312-T380 HydrophobicContact CD1-CG2 3.59Å; I312-T380 HydrophobicContact CG1-CG2 3.6Å; S376-T380 PolarHBondContact O-OG1 3.1Å; W377-T380 HydrophobicContact CE3-CG2 4.41Å; W377-T380 WeakPolarHBondContact O-CB 3.41Å; W377-T380 PolarHBondContact O-N 3.19Å; W377-T380 VanDerWaalsContact O-N 3.11Å; T380-K382 VanDerWaalsContact C-N 3.32Å; T380-K382 PolarHBondContact O-N 3.02Å; T380-V582 HydrophobicContact CG2-CB 4.47Å; T380-V582 HydrophobicContact CG2-CG1 3.8Å; T380-I586 HydrophobicContact CG2-CD1 3.85Å; T380-I586 HydrophobicContact CG2-CG1 4.13Å
381	L	88	Confident	90	Very high	72 Å²	72	56.1 Å²	56.1	38%	0.377	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.1	-0.1	179.6	-63.7	175.1	0	0	0	114.6	I312 K315 W377 S379	I312-L381 HydrophobicContact CG2-CD2 4.4Å; K315-L381 HydrophobicContact CD-CD1 4.38Å; K315-L381 HydrophobicContact CD-CD2 4.48Å; W377-L381 HydrophobicContact CE3-CD2 4.37Å; W377-L381 HydrophobicContact CE3-CG 4.46Å; W377-L381 WeakPolarHBondContact O-CG 3.48Å; W377-L381 PolarHBondContact O-N 3.42Å; W377-L381 VanDerWaalsContact O-N 3.08Å; S379-L381 VanDerWaalsContact C-N 3.26Å; S379-L381 PolarHBondContact O-N 3.02Å
382	K	90.8	Very high	90.2	Very high	122 Å²	122	54.1 Å²	54.1	53%	0.53	28%	0.277	S	S	.	.			trans	-75.7	127	176.3	-66.6	-179.8	-179.5	179.1	0	110.6	S379 T380 A384 N385 Q386	S379-K382 WeakPolarHBondContact O-CB 3.37Å; S379-K382 WeakPolarHBondContact O-CG 3.44Å; S379-K382 PolarHBondContact O-N 3.1Å; S379-K382 VanDerWaalsContact O-N 3.08Å; T380-K382 VanDerWaalsContact C-N 3.32Å; T380-K382 PolarHBondContact O-N 3.02Å; K382-A384 VanDerWaalsContact C-N 3.27Å; K382-A384 PolarHBondContact O-N 2.92Å; K382-A384 VanDerWaalsContact O-N 3.16Å; K382-N385 HydrophobicContact CB-CB 4.3Å; K382-N385 WeakPolarHBondContact O-CA 3.28Å; K382-N385 WeakPolarHBondContact O-CB 3.14Å; K382-N385 PolarHBondContact O-N 3.18Å; K382-Q386 PolarHBondContact O-N 3.5Å; K382-Q386 VanDerWaalsContact O-N 3.11Å
383	R	87.6	Confident	90.4	Very high	205 Å²	205	51.3 Å²	51.3	77%	0.774	26%	0.261	S	S	*	.	H	α-helix	trans	-50.1	-42.5	177.2	-173.5	-179.6	-65	147.6	1.6	113.7	N385 Q386 S387	R383-N385 VanDerWaalsContact C-N 3.26Å; R383-N385 PolarHBondContact O-N 3.42Å; R383-Q386 PolarHBondContact O-N 3.05Å; R383-S387 PolarHBondContact O-N 3.32Å; R383-S387 PolarHBondContact O-OG 2.9Å
384	A	91.1	Very high	90.5	Very high	62 Å²	62	55.2 Å²	55.2	51%	0.512	28%	0.281	S	S	.	.	H	α-helix	trans	-60.3	-36.8	177.9	0	0	0	0	0	112.6	K382 S388	K382-A384 VanDerWaalsContact C-N 3.27Å; K382-A384 PolarHBondContact O-N 2.92Å; K382-A384 VanDerWaalsContact O-N 3.16Å; A384-S388 PolarHBondContact O-N 3.17Å; A384-S388 VanDerWaalsContact O-N 3.15Å; A384-S388 PolarHBondContact O-OG 3.48Å
385	N	93.9	Very high	90.5	Very high	6 Å²	6	52.7 Å²	52.7	3%	0.032	27%	0.27	C	S	.	.	H	α-helix	trans	-75.1	-36.6	179.9	-66.5	16	0	0	0	111.7	S379 K382 R383 S388 L389 N578 V582	S379-N385 PolarHBondContact O-ND2 2.78Å; K382-N385 HydrophobicContact CB-CB 4.3Å; K382-N385 WeakPolarHBondContact O-CA 3.28Å; K382-N385 WeakPolarHBondContact O-CB 3.14Å; K382-N385 PolarHBondContact O-N 3.18Å; R383-N385 VanDerWaalsContact C-N 3.26Å; R383-N385 PolarHBondContact O-N 3.42Å; N385-S388 PolarHBondContact O-N 3.39Å; N385-L389 PolarHBondContact O-N 3.37Å; N385-N578 HydrophobicContact CB-CB 4.48Å; N385-V582 HydrophobicContact CB-CG2 3.71Å
386	Q	90.9	Very high	90.6	Very high	47 Å²	47	49.6 Å²	49.6	22%	0.22	25%	0.248	C	C	.	.	H	α-helix	trans	-63.3	-45.8	172.6	-66.1	166.7	-8.5	0	0	111.4	I312 K382 R383 S388 L389 D390	I312-Q386 HydrophobicContact CG2-CG 4.11Å; I312-Q386 VanDerWaalsContact CG2-NE2 3.27Å; K382-Q386 PolarHBondContact O-N 3.5Å; K382-Q386 VanDerWaalsContact O-N 3.11Å; R383-Q386 PolarHBondContact O-N 3.05Å; Q386-S388 VanDerWaalsContact C-N 3.28Å; Q386-S388 PolarHBondContact O-N 3.33Å; Q386-L389 WeakPolarHBondContact O-CB 3.43Å; Q386-L389 PolarHBondContact O-N 3.33Å; Q386-L389 VanDerWaalsContact O-N 3.11Å; Q386-D390 PolarHBondContact O-N 3.37Å
387	S	92.7	Very high	90.9	Very high	67 Å²	67	53.2 Å²	53.2	47%	0.469	26%	0.262	S	S	.	.	H	α-helix	trans	-62.8	-33.8	175.7	-58.9	0	0	0	0	113	R383 D390 E391	R383-S387 PolarHBondContact O-N 3.32Å; R383-S387 PolarHBondContact O-OG 2.9Å; S387-D390 PolarHBondContact O-N 3.01Å; S387-E391 PolarHBondContact O-N 3.46Å; S387-E391 VanDerWaalsContact O-N 3.11Å
388	S	94.6	Very high	90.9	Very high	7 Å²	7	56.2 Å²	56.2	5%	0.049	28%	0.278	C	S	.	.	H	α-helix	trans	-68.3	-36.8	172.6	-65.6	0	0	0	0	112.8	A384 N385 Q386 E391 M392 N578 T579	A384-S388 PolarHBondContact O-N 3.17Å; A384-S388 VanDerWaalsContact O-N 3.15Å; A384-S388 PolarHBondContact O-OG 3.48Å; N385-S388 PolarHBondContact O-N 3.39Å; Q386-S388 VanDerWaalsContact C-N 3.28Å; Q386-S388 PolarHBondContact O-N 3.33Å; S388-E391 PolarHBondContact O-N 2.9Å; S388-M392 PolarHBondContact O-N 3Å; S388-N578 WeakPolarHBondContact OG-CB 3.31Å; S388-N578 PolarHBondContact OG-ND2 3.23Å; S388-T579 PolarHBondContact O-OG1 3.18Å
389	L	94.1	Very high	90.9	Very high	2 Å²	2	48.5 Å²	48.5	1%	0.01	24%	0.244	C	C	.	.	H	α-helix	trans	-60.8	-43.9	172.6	-177.3	73.9	0	0	0	111.3	L305 I308 E309 I312 N385 Q386 M392 K393 T579 V582	L305-L389 HydrophobicContact CB-CD1 4.28Å; L305-L389 HydrophobicContact CD1-CD1 4.03Å; L305-L389 HydrophobicContact CD2-CD1 3.93Å; L305-L389 HydrophobicContact CG-CD1 4.29Å; I308-L389 HydrophobicContact CG2-CD1 4.49Å; I308-L389 HydrophobicContact CG2-CD2 4.12Å; E309-L389 HydrophobicContact CB-CD2 3.96Å; E309-L389 HydrophobicContact CG-CD2 4.08Å; I312-L389 HydrophobicContact CD1-CD2 4.13Å; N385-L389 PolarHBondContact O-N 3.37Å; Q386-L389 WeakPolarHBondContact O-CB 3.43Å; Q386-L389 PolarHBondContact O-N 3.33Å; Q386-L389 VanDerWaalsContact O-N 3.11Å; L389-M392 WeakPolarHBondContact O-CB 3.36Å; L389-M392 PolarHBondContact O-N 3.1Å; L389-K393 WeakPolarHBondContact O-CG 3.09Å; L389-K393 PolarHBondContact O-N 3.11Å; L389-T579 HydrophobicContact CD1-CG2 4.01Å; L389-V582 HydrophobicContact CD1-CG1 4.43Å; L389-V582 HydrophobicContact CD2-CG1 4.3Å
390	D	93	Very high	90.9	Very high	62 Å²	62	49.6 Å²	49.6	33%	0.332	25%	0.252	S	S	.	.	H	α-helix	trans	-62	-42.3	176.3	-76.1	-36.5	0	0	0	112.8	Q386 S387 K393 N394	Q386-D390 PolarHBondContact O-N 3.37Å; S387-D390 PolarHBondContact O-N 3.01Å; D390-K393 PolarHBondContact O-N 3.37Å; D390-N394 VanDerWaalsContact O-CG 3.32Å; D390-N394 PolarHBondContact O-N 3.05Å; D390-N394 PolarHBondContact O-ND2 2.99Å; D390-N394 VanDerWaalsContact O-ND2 3.1Å
391	E	91.8	Very high	90.9	Very high	75 Å²	75	52.7 Å²	52.7	35%	0.35	27%	0.274	S	S	.	.	H	α-helix	trans	-61.3	-45.6	175.1	-171	170.6	-148.9	0	0	110.8	S387 S388 K393 N394 M395 T575	S387-E391 PolarHBondContact O-N 3.46Å; S387-E391 VanDerWaalsContact O-N 3.11Å; S388-E391 PolarHBondContact O-N 2.9Å; E391-K393 PolarHBondContact O-N 3.29Å; E391-N394 PolarHBondContact O-N 2.83Å; E391-N394 VanDerWaalsContact O-N 3.17Å; E391-M395 PolarHBondContact O-N 3.25Å; E391-T575 HydrophobicContact CB-CG2 3.94Å; E391-T575 HydrophobicContact CG-CG2 4.01Å; E391-T575 WeakPolarHBondContact OE2-CB 3.27Å; E391-T575 WeakPolarHBondContact OE2-CG2 3.4Å; E391-T575 PolarHBondContact OE2-OG1 3.43Å
392	M	91.8	Very high	91	Very high	3 Å²	3	49.3 Å²	49.3	2%	0.015	26%	0.256	C	S	.	.	H	α-helix	trans	-60.6	-43.1	175.2	-167.2	68	79.7	0	0	112.8	I116 F120 L305 S388 L389 N394 M395 L396 I576 T579	I116-M392 HydrophobicContact CG2-CG 4.47Å; F120-M392 HydrophobicContact CB-CE 4.1Å; F120-M392 HydrophobicContact CB-SD 4.11Å; F120-M392 HydrophobicContact CD1-CE 4.4Å; F120-M392 HydrophobicContact CD1-SD 3.53Å; F120-M392 VanDerWaalsContact CD1-SD 3.53Å; F120-M392 HydrophobicContact CD2-CE 4.3Å; F120-M392 HydrophobicContact CD2-CG 4.28Å; F120-M392 HydrophobicContact CD2-SD 3.34Å; F120-M392 WeakPolarHBondContact CD2-SD 3.27Å; F120-M392 HydrophobicContact CE1-SD 3.65Å; F120-M392 HydrophobicContact CE2-CG 4.12Å; F120-M392 HydrophobicContact CE2-SD 3.46Å; F120-M392 WeakPolarHBondContact CE2-SD 3.42Å; F120-M392 HydrophobicContact CG-CE 4.04Å; F120-M392 HydrophobicContact CG-SD 3.38Å; F120-M392 WeakPolarHBondContact CG-SD 3.44Å; F120-M392 HydrophobicContact CZ-SD 3.62Å; L305-M392 HydrophobicContact CD1-CB 4.34Å; L305-M392 HydrophobicContact CD1-CG 4.04Å; S388-M392 PolarHBondContact O-N 3Å; L389-M392 WeakPolarHBondContact O-CB 3.36Å; L389-M392 PolarHBondContact O-N 3.1Å; M392-N394 VanDerWaalsContact C-N 3.31Å; M392-N394 PolarHBondContact O-N 2.94Å; M392-M395 WeakPolarHBondContact O-CB 3.12Å; M392-M395 PolarHBondContact O-N 2.83Å; M392-L396 PolarHBondContact O-N 3.21Å; M392-I576 HydrophobicContact CE-CB 4.43Å; M392-I576 HydrophobicContact CE-CG1 4.17Å; M392-I576 HydrophobicContact CE-CG2 4.5Å; M392-T579 HydrophobicContact CB-CG2 4.1Å; M392-T579 HydrophobicContact CE-CG2 4.2Å; M392-T579 HydrophobicContact CG-CG2 4.1Å
393	K	93.5	Very high	90.9	Very high	16 Å²	16	46.1 Å²	46.1	7%	0.07	25%	0.249	C	C	.	.	H	α-helix	trans	-60.9	-39.4	174.7	-75.3	178.5	67.8	-167.5	0	112.2	L302 L305 E306 E309 L389 D390 E391 M395 L396 K397	L302-K393 HydrophobicContact CD1-CB 4.12Å; L302-K393 HydrophobicContact CD1-CG 4.34Å; L305-K393 HydrophobicContact CB-CD 4.22Å; L305-K393 HydrophobicContact CB-CG 3.76Å; L305-K393 HydrophobicContact CD1-CG 3.8Å; L305-K393 HydrophobicContact CG-CG 4.45Å; E306-K393 VanDerWaalsContact CG-CE 3.4Å; E306-K393 IonicContact OE1-NZ 2.74Å; E309-K393 IonicContact OE2-NZ 2.66Å; E309-K393 PolarHBondContact OE2-NZ 3.12Å; L389-K393 WeakPolarHBondContact O-CG 3.09Å; L389-K393 PolarHBondContact O-N 3.11Å; D390-K393 PolarHBondContact O-N 3.37Å; E391-K393 PolarHBondContact O-N 3.29Å; K393-M395 VanDerWaalsContact C-N 3.35Å; K393-L396 PolarHBondContact O-N 3.39Å; K393-K397 WeakPolarHBondContact O-CG 3.49Å; K393-K397 PolarHBondContact O-N 3.44Å; K393-K397 VanDerWaalsContact O-N 3.08Å
394	N	91.1	Very high	90.9	Very high	82 Å²	82	42.7 Å²	42.7	44%	0.439	24%	0.237	S	C	.	.	H	α-helix	trans	-69.2	-35.5	177.5	-68.9	-35.1	0	0	0	111.5	D390 E391 M392 K397 I398	D390-N394 VanDerWaalsContact O-CG 3.32Å; D390-N394 PolarHBondContact O-N 3.05Å; D390-N394 PolarHBondContact O-ND2 2.99Å; D390-N394 VanDerWaalsContact O-ND2 3.1Å; E391-N394 PolarHBondContact O-N 2.83Å; E391-N394 VanDerWaalsContact O-N 3.17Å; M392-N394 VanDerWaalsContact C-N 3.31Å; M392-N394 PolarHBondContact O-N 2.94Å; N394-K397 WeakPolarHBondContact O-CB 3.43Å; N394-K397 PolarHBondContact O-N 3.1Å; N394-K397 PolarHBondContact OD1-NZ 3.03Å; N394-K397 VanDerWaalsContact OD1-NZ 3.1Å; N394-I398 WeakPolarHBondContact O-CG1 3.46Å; N394-I398 PolarHBondContact O-N 3.22Å; N394-I398 VanDerWaalsContact O-N 3.12Å
395	M	87.8	Confident	90.8	Very high	10 Å²	10	40 Å²	40	5%	0.049	21%	0.213	C	C	.	.	H	α-helix	trans	-61.5	-46.8	169.6	-70.6	-55.6	-53.6	0	0	112.4	F120 E391 M392 K393 K397 I398 M399 V567 F568 I571	F120-M395 HydrophobicContact CE1-CB 3.82Å; F120-M395 HydrophobicContact CZ-CB 3.83Å; E391-M395 PolarHBondContact O-N 3.25Å; M392-M395 WeakPolarHBondContact O-CB 3.12Å; M392-M395 PolarHBondContact O-N 2.83Å; K393-M395 VanDerWaalsContact C-N 3.35Å; M395-K397 VanDerWaalsContact C-N 3.26Å; M395-K397 PolarHBondContact O-N 3.23Å; M395-I398 PolarHBondContact O-N 3.05Å; M395-I398 HydrophobicContact SD-CD1 4.15Å; M395-M399 WeakPolarHBondContact O-CG 3.38Å; M395-M399 PolarHBondContact O-N 3.48Å; M395-V567 HydrophobicContact CE-CB 4.33Å; M395-V567 HydrophobicContact CE-CG1 3.73Å; M395-V567 HydrophobicContact SD-CG1 3.47Å; M395-V567 WeakPolarHBondContact SD-CG1 3.44Å; M395-F568 HydrophobicContact CE-CD1 4.23Å; M395-F568 HydrophobicContact CE-CD2 4.47Å; M395-F568 HydrophobicContact CE-CE1 4.15Å; M395-F568 HydrophobicContact CE-CE2 4.37Å; M395-F568 HydrophobicContact CE-CG 4.38Å; M395-F568 HydrophobicContact CE-CZ 4.21Å; M395-I571 HydrophobicContact CE-CD1 3.91Å; M395-I571 HydrophobicContact CG-CD1 3.64Å; M395-I571 HydrophobicContact CG-CG1 4.42Å; M395-I571 HydrophobicContact SD-CD1 3.78Å; M395-I571 HydrophobicContact SD-CG1 4.3Å
396	L	90.8	Very high	90.5	Very high	1 Å²	1	48.5 Å²	48.5	1%	0.005	25%	0.25	C	S	.	.	H	α-helix	trans	-56.9	-37.5	174.9	-78	171	0	0	0	113	I116 F120 F294 F301 L302 L305 M392 K393 M399 S400	I116-L396 HydrophobicContact CG2-CD1 4.29Å; F120-L396 HydrophobicContact CE2-CD1 4.44Å; F120-L396 HydrophobicContact CE2-CD2 3.56Å; F120-L396 HydrophobicContact CE2-CG 3.69Å; F120-L396 HydrophobicContact CZ-CD2 4Å; F120-L396 HydrophobicContact CZ-CG 3.98Å; F294-L396 HydrophobicContact CE1-CD2 4.09Å; F301-L396 HydrophobicContact CB-CD1 3.73Å; F301-L396 HydrophobicContact CB-CD2 3.64Å; F301-L396 HydrophobicContact CB-CG 4.34Å; F301-L396 HydrophobicContact CD2-CD2 3.81Å; F301-L396 HydrophobicContact CG-CD2 4.22Å; L302-L396 HydrophobicContact CD1-CB 4.34Å; L305-L396 HydrophobicContact CD1-CD1 3.64Å; L305-L396 HydrophobicContact CG-CD1 4.19Å; M392-L396 PolarHBondContact O-N 3.21Å; K393-L396 PolarHBondContact O-N 3.39Å; L396-M399 PolarHBondContact O-N 2.87Å; L396-S400 WeakPolarHBondContact O-CB 3.42Å; L396-S400 PolarHBondContact O-N 3.43Å
397	K	91.4	Very high	90.4	Very high	89 Å²	89	49.4 Å²	49.4	39%	0.387	26%	0.262	S	S	.	.	H	α-helix	trans	-63.7	-43.1	173.6	-68	168.1	-165.2	163.9	0	111.7	L302 K393 N394 M395 S400	L302-K397 HydrophobicContact CD1-CG 4.04Å; L302-K397 HydrophobicContact CD2-CG 4.15Å; K393-K397 WeakPolarHBondContact O-CG 3.49Å; K393-K397 PolarHBondContact O-N 3.44Å; K393-K397 VanDerWaalsContact O-N 3.08Å; N394-K397 WeakPolarHBondContact O-CB 3.43Å; N394-K397 PolarHBondContact O-N 3.1Å; N394-K397 PolarHBondContact OD1-NZ 3.03Å; N394-K397 VanDerWaalsContact OD1-NZ 3.1Å; M395-K397 VanDerWaalsContact C-N 3.26Å; M395-K397 PolarHBondContact O-N 3.23Å; K397-S400 PolarHBondContact O-N 2.93Å; K397-S400 PolarHBondContact O-OG 3.49Å
398	I	87.5	Confident	90.3	Very high	66 Å²	66	46.4 Å²	46.4	34%	0.338	24%	0.241	S	C	.	.	H	α-helix	trans	-63.7	-47.2	175.5	-58.1	166.9	0	0	0	109.7	N394 M395 S400 S401 N564 V567	N394-I398 WeakPolarHBondContact O-CG1 3.46Å; N394-I398 PolarHBondContact O-N 3.22Å; N394-I398 VanDerWaalsContact O-N 3.12Å; M395-I398 PolarHBondContact O-N 3.05Å; M395-I398 HydrophobicContact SD-CD1 4.15Å; I398-S400 VanDerWaalsContact C-N 3.27Å; I398-S400 PolarHBondContact O-N 2.94Å; I398-S401 WeakPolarHBondContact O-CB 3.34Å; I398-S401 PolarHBondContact O-N 2.88Å; I398-S401 PolarHBondContact O-OG 3.27Å; I398-N564 VanDerWaalsContact CG2-OD1 3.23Å; I398-N564 WeakPolarHBondContact CG2-OD1 3.39Å; I398-V567 HydrophobicContact CD1-CG1 4.33Å
399	M	88.4	Confident	90.1	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-59.7	-34.7	176.1	-64.3	-168.7	85.4	0	0	113	F120 I123 V291 F294 S295 M395 L396 S401 L402 F568	F120-M399 HydrophobicContact CE1-SD 3.97Å; F120-M399 HydrophobicContact CE2-SD 4.39Å; F120-M399 HydrophobicContact CZ-SD 3.66Å; I123-M399 HydrophobicContact CD1-CE 4.26Å; V291-M399 HydrophobicContact CG1-CE 4.04Å; F294-M399 HydrophobicContact CB-CE 4.44Å; F294-M399 HydrophobicContact CD1-CE 3.42Å; F294-M399 VanDerWaalsContact CD1-CE 3.42Å; F294-M399 HydrophobicContact CD1-SD 3.64Å; F294-M399 HydrophobicContact CE1-CE 4.08Å; F294-M399 HydrophobicContact CE1-SD 3.66Å; F294-M399 HydrophobicContact CG-CE 4.33Å; S295-M399 WeakPolarHBondContact CB-O 3.44Å; M395-M399 WeakPolarHBondContact O-CG 3.38Å; M395-M399 PolarHBondContact O-N 3.48Å; L396-M399 PolarHBondContact O-N 2.87Å; M399-S401 PolarHBondContact O-N 2.87Å; M399-S401 VanDerWaalsContact O-N 3.13Å; M399-L402 WeakPolarHBondContact O-CA 3.3Å; M399-L402 WeakPolarHBondContact O-CB 3.17Å; M399-L402 PolarHBondContact O-N 3.16Å; M399-F568 HydrophobicContact CE-CE2 4.36Å; M399-F568 HydrophobicContact CE-CZ 3.7Å; M399-F568 HydrophobicContact CG-CZ 4.06Å; M399-F568 HydrophobicContact SD-CE1 4.38Å; M399-F568 HydrophobicContact SD-CZ 3.65Å
400	S	88.9	Confident	89.9	Confident	48 Å²	48	51.4 Å²	51.4	34%	0.336	28%	0.28	S	S	.	.	H	α-helix	trans	-60.6	-24.9	177	78.7	0	0	0	0	113.3	S298 L396 K397 I398 L402 S403	S298-S400 WeakPolarHBondContact OG-CA 3.5Å; S298-S400 WeakPolarHBondContact OG-CB 3.41Å; L396-S400 WeakPolarHBondContact O-CB 3.42Å; L396-S400 PolarHBondContact O-N 3.43Å; K397-S400 PolarHBondContact O-N 2.93Å; K397-S400 PolarHBondContact O-OG 3.49Å; I398-S400 VanDerWaalsContact C-N 3.27Å; I398-S400 PolarHBondContact O-N 2.94Å; S400-L402 PolarHBondContact O-N 3.47Å; S400-S403 WeakPolarHBondContact O-CB 3.4Å; S400-S403 PolarHBondContact O-N 3Å; S400-S403 PolarHBondContact O-OG 3.29Å
401	S	88.3	Confident	89.8	Confident	65 Å²	65	49.6 Å²	49.6	46%	0.455	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.3	-14.5	171	77	0	0	0	0	114.2	I398 M399 Y404	I398-S401 WeakPolarHBondContact O-CB 3.34Å; I398-S401 PolarHBondContact O-N 2.88Å; I398-S401 PolarHBondContact O-OG 3.27Å; M399-S401 PolarHBondContact O-N 2.87Å; M399-S401 VanDerWaalsContact O-N 3.13Å; S401-Y404 WeakPolarHBondContact O-CD1 3.38Å; S401-Y404 WeakPolarHBondContact O-CE1 3.45Å
402	L	91.5	Very high	89.8	Confident	0 Å²	0	46.2 Å²	46.2	0%	0	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.9	-18.1	173.9	-57	177.9	0	0	0	112.8	V291 L292 M399 S400 Y404 F405 A560 L561 N564	V291-L402 HydrophobicContact CG1-CD1 3.9Å; L292-L402 HydrophobicContact CD2-CB 4.06Å; M399-L402 WeakPolarHBondContact O-CA 3.3Å; M399-L402 WeakPolarHBondContact O-CB 3.17Å; M399-L402 PolarHBondContact O-N 3.16Å; S400-L402 PolarHBondContact O-N 3.47Å; L402-Y404 PolarHBondContact O-N 2.99Å; L402-F405 HydrophobicContact CB-CD2 4.31Å; L402-F405 HydrophobicContact CD2-CD2 4.17Å; L402-F405 HydrophobicContact CD2-CE2 3.96Å; L402-F405 VanDerWaalsContact O-CD2 3.3Å; L402-F405 WeakPolarHBondContact O-CD2 3.36Å; L402-F405 PolarHBondContact O-N 3.15Å; L402-A560 HydrophobicContact CD2-CB 3.65Å; L402-L561 HydrophobicContact CD1-CD2 3.92Å; L402-N564 HydrophobicContact CD1-CB 4.32Å
403	S	88.6	Confident	89.8	Confident	55 Å²	55	52.3 Å²	52.3	39%	0.385	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-11	-171.9	67.8	0	0	0	0	116	S295 S400	S295-S403 WeakPolarHBondContact O-CB 3.34Å; S295-S403 WeakPolarHBondContact OG-CA 3.46Å; S295-S403 PolarHBondContact OG-N 3.39Å; S400-S403 WeakPolarHBondContact O-CB 3.4Å; S400-S403 PolarHBondContact O-N 3Å; S400-S403 PolarHBondContact O-OG 3.29Å
404	Y	87.9	Confident	89.7	Confident	133 Å²	133	53 Å²	53	52%	0.522	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.3	-22.4	175.2	76	-92.5	0	0	0	113.5	S401 L402 E555	S401-Y404 WeakPolarHBondContact O-CD1 3.38Å; S401-Y404 WeakPolarHBondContact O-CE1 3.45Å; L402-Y404 PolarHBondContact O-N 2.99Å; Y404-E555 HydrophobicContact CE2-CB 4.25Å; Y404-E555 PolarHBondContact OH-O 2.91Å
405	F	89.2	Confident	89.7	Confident	5 Å²	5	49.1 Å²	49.1	2%	0.022	27%	0.271	C	S	.	.			trans	-76.4	127.8	174.7	-56.6	-67.9	0	0	0	109.6	L292 L402 E555 G557 A560	L292-F405 HydrophobicContact CD1-CB 4.03Å; L292-F405 HydrophobicContact CD2-CB 3.74Å; L292-F405 HydrophobicContact CD2-CD2 4.25Å; L292-F405 HydrophobicContact CD2-CG 4.46Å; L402-F405 HydrophobicContact CB-CD2 4.31Å; L402-F405 HydrophobicContact CD2-CD2 4.17Å; L402-F405 HydrophobicContact CD2-CE2 3.96Å; L402-F405 VanDerWaalsContact O-CD2 3.3Å; L402-F405 WeakPolarHBondContact O-CD2 3.36Å; L402-F405 PolarHBondContact O-N 3.15Å; F405-E555 HydrophobicContact CD1-CB 4.31Å; F405-E555 HydrophobicContact CE1-CB 3.73Å; F405-G557 VanDerWaalsContact CE1-N 3.26Å; F405-A560 HydrophobicContact CE2-CB 4Å; F405-A560 HydrophobicContact CZ-CB 4.3Å
406	K	85.8	Confident	89.8	Confident	186 Å²	186	49.2 Å²	49.2	81%	0.809	27%	0.272	S	S	*	.			trans	-89.5	-31.2	178.6	-68.7	-174.6	177.2	-178.1	0	113.9
407	S	89.6	Confident	89.8	Confident	65 Å²	65	56.7 Å²	56.7	46%	0.455	30%	0.304	S	S	.	.			trans	-172.7	152.5	179.1	168	0	0	0	0	108.3	E289 S409	E289-S407 WeakPolarHBondContact OE1-CA 3.41Å; E289-S407 WeakPolarHBondContact OE1-CB 3.35Å; E289-S407 PolarHBondContact OE1-OG 3.31Å; E289-S407 VanDerWaalsContact OE2-CA 3.24Å; E289-S407 WeakPolarHBondContact OE2-CA 3.48Å; E289-S407 WeakPolarHBondContact OE2-CB 3.49Å; E289-S407 PolarHBondContact OE2-OG 3.37Å; S407-S409 PolarHBondContact OG-N 3.26Å
408	V	91.8	Very high	89.7	Confident	5 Å²	5	52.5 Å²	52.5	3%	0.03	29%	0.286	C	S	.	.			trans	-121.3	-2	172.7	-69.3	0	0	0	0	113.3	F288 E289 L292 A410 H411 L412 V558 L561	F288-V408 HydrophobicContact CB-CG2 3.63Å; F288-V408 HydrophobicContact CD2-CG2 3.64Å; F288-V408 HydrophobicContact CG-CG2 3.96Å; E289-V408 PolarHBondContact OE1-N 3.48Å; L292-V408 HydrophobicContact CD1-CG1 4.27Å; L292-V408 HydrophobicContact CD1-CG2 4.35Å; V408-A410 PolarHBondContact O-N 3.16Å; V408-H411 WeakPolarHBondContact O-CB 3.31Å; V408-H411 PolarHBondContact O-N 3.38Å; V408-L412 PolarHBondContact O-N 2.91Å; V408-V558 HydrophobicContact CB-CG2 3.87Å; V408-V558 HydrophobicContact CG1-CG2 4.3Å; V408-V558 HydrophobicContact CG2-CG2 4.14Å; V408-L561 HydrophobicContact CB-CD1 4.39Å; V408-L561 HydrophobicContact CG1-CD1 3.93Å; V408-L561 HydrophobicContact CG2-CD1 3.6Å
409	S	89.6	Confident	89.7	Confident	37 Å²	37	50 Å²	50	26%	0.259	27%	0.273	S	S	.	.	H	α-helix	trans	-52.3	-47.4	-175.2	-68	0	0	0	0	113.8	E289 S407 H411 L412 E413	E289-S409 WeakPolarHBondContact OE1-CB 3.44Å; E289-S409 PolarHBondContact OE1-N 2.69Å; E289-S409 VanDerWaalsContact OE1-N 3.13Å; E289-S409 PolarHBondContact OE1-OG 3.22Å; S407-S409 PolarHBondContact OG-N 3.26Å; S409-H411 PolarHBondContact O-N 3.46Å; S409-L412 PolarHBondContact O-N 3.2Å; S409-E413 WeakPolarHBondContact O-CG 3.39Å; S409-E413 PolarHBondContact O-N 3.33Å
410	A	89.9	Confident	89.5	Confident	76 Å²	76	54 Å²	54	63%	0.628	31%	0.307	S	S	*	.	H	α-helix	trans	-63.5	-27.7	179.5	0	0	0	0	0	113.7	V408 A414	V408-A410 PolarHBondContact O-N 3.16Å; A410-A414 WeakPolarHBondContact O-CB 3.38Å; A410-A414 PolarHBondContact O-N 2.97Å
411	H	90.8	Very high	88.7	Confident	25 Å²	25	55.4 Å²	55.4	12%	0.116	32%	0.317	C	S	.	.	H	α-helix	trans	-81.1	-40.6	176.5	174.5	66.9	0	0	0	111.5	E145 V408 S409 E413 A414 I415 A551 D553	E145-H411 IonicContact OE1-CD2 2.75Å; E145-H411 IonicContact OE1-CE1 3.99Å; E145-H411 IonicContact OE1-NE2 2.74Å; E145-H411 PolarHBondContact OE1-NE2 3.38Å; V408-H411 WeakPolarHBondContact O-CB 3.31Å; V408-H411 PolarHBondContact O-N 3.38Å; S409-H411 PolarHBondContact O-N 3.46Å; H411-E413 PolarHBondContact O-N 3.04Å; H411-A414 PolarHBondContact O-N 3.17Å; H411-A414 VanDerWaalsContact O-N 3.14Å; H411-I415 WeakPolarHBondContact CE1-CD1 3.29Å; H411-I415 WeakPolarHBondContact NE2-CD1 3.29Å; H411-I415 PolarHBondContact O-N 3.3Å; H411-A551 PolarHBondContact CE1-O 2.84Å; H411-A551 PolarHBondContact ND1-O 3.36Å; H411-A551 VanDerWaalsContact ND1-O 3.1Å; H411-D553 PolarHBondContact CE1-N 2.91Å; H411-D553 PolarHBondContact ND1-N 3.32Å
412	L	92.4	Very high	87.6	Confident	4 Å²	4	53.3 Å²	53.3	2%	0.021	31%	0.305	C	S	.	.	H	α-helix	trans	-57.9	-45.9	170.9	178	62.8	0	0	0	111.7	M137 L141 I281 F288 V408 S409 A414 T416	M137-L412 HydrophobicContact CE-CD1 3.82Å; L141-L412 HydrophobicContact CD1-CD1 4.2Å; L141-L412 HydrophobicContact CD2-CD1 3.58Å; I281-L412 HydrophobicContact CG2-CD2 4.11Å; I281-L412 HydrophobicContact CG2-CG 4.06Å; F288-L412 HydrophobicContact CD2-CD2 4.37Å; V408-L412 PolarHBondContact O-N 2.91Å; S409-L412 PolarHBondContact O-N 3.2Å; L412-A414 VanDerWaalsContact C-N 3.34Å; L412-A414 PolarHBondContact O-N 3.47Å; L412-T416 HydrophobicContact CD1-CG2 4.19Å; L412-T416 WeakPolarHBondContact O-CB 3.45Å; L412-T416 VanDerWaalsContact O-CG2 3.31Å; L412-T416 WeakPolarHBondContact O-CG2 3.34Å; L412-T416 PolarHBondContact O-N 3.26Å; L412-T416 PolarHBondContact O-OG1 3.35Å
413	E	90.3	Very high	85.9	Confident	131 Å²	131	56.2 Å²	56.2	61%	0.612	33%	0.325	S	S	*	.	H	α-helix	trans	-59.2	-41.5	172.5	-75.2	179.2	-161.8	0	0	112.4	S409 H411 T416 K417	S409-E413 WeakPolarHBondContact O-CG 3.39Å; S409-E413 PolarHBondContact O-N 3.33Å; H411-E413 PolarHBondContact O-N 3.04Å; E413-T416 WeakPolarHBondContact CA-OG1 3.28Å; E413-T416 PolarHBondContact O-OG1 3.15Å; E413-T416 VanDerWaalsContact O-OG1 3.06Å; E413-K417 WeakPolarHBondContact O-CB 3.16Å; E413-K417 PolarHBondContact O-N 3.09Å
414	A	91.7	Very high	84.2	Confident	31 Å²	31	58.2 Å²	58.2	26%	0.256	34%	0.339	S	S	.	.	H	α-helix	trans	-67.1	-47.1	-179.2	0	0	0	0	0	111.9	A410 H411 L412 C418 A551	A410-A414 WeakPolarHBondContact O-CB 3.38Å; A410-A414 PolarHBondContact O-N 2.97Å; H411-A414 PolarHBondContact O-N 3.17Å; H411-A414 VanDerWaalsContact O-N 3.14Å; L412-A414 VanDerWaalsContact C-N 3.34Å; L412-A414 PolarHBondContact O-N 3.47Å; A414-C418 PolarHBondContact O-N 3.48Å; A414-C418 VanDerWaalsContact O-N 3.13Å; A414-C418 PolarHBondContact O-SG 3.48Å; A414-A551 HydrophobicContact CB-CB 3.54Å
415	I	90.9	Very high	82.6	Confident	0 Å²	0	53.3 Å²	53.3	0%	0	32%	0.324	C	S	.	.	H	α-helix	trans	-65.7	-45.5	177.3	-72.1	-168.8	0	0	0	111.8	L141 L144 E145 H411 K417 C418 D419 L548 A551	L141-I415 HydrophobicContact CD1-CB 4.22Å; L141-I415 HydrophobicContact CD1-CD1 4.29Å; L141-I415 HydrophobicContact CD1-CG2 3.67Å; L144-I415 HydrophobicContact CB-CG2 3.8Å; L144-I415 HydrophobicContact CD1-CG2 3.58Å; L144-I415 HydrophobicContact CG-CG2 4.26Å; E145-I415 HydrophobicContact CG-CD1 4.37Å; E145-I415 VanDerWaalsContact OE1-CD1 3.3Å; E145-I415 WeakPolarHBondContact OE1-CD1 3.29Å; H411-I415 WeakPolarHBondContact CE1-CD1 3.29Å; H411-I415 WeakPolarHBondContact NE2-CD1 3.29Å; H411-I415 PolarHBondContact O-N 3.3Å; I415-K417 VanDerWaalsContact C-N 3.3Å; I415-K417 PolarHBondContact O-N 3.23Å; I415-C418 WeakPolarHBondContact O-CA 3.49Å; I415-C418 WeakPolarHBondContact O-CB 3.49Å; I415-C418 PolarHBondContact O-N 3.04Å; I415-D419 PolarHBondContact O-N 3.29Å; I415-L548 HydrophobicContact CG1-CD2 4.36Å; I415-L548 HydrophobicContact CG2-CD2 4.13Å; I415-A551 HydrophobicContact CG1-CB 4.43Å; I415-A551 WeakPolarHBondContact CG1-O 3.4Å
416	T	90.1	Very high	80.9	Confident	12 Å²	12	58.6 Å²	58.6	7%	0.074	36%	0.357	C	S	.	.	H	α-helix	trans	-61.4	-39	179.4	47.2	0	0	0	0	112	M137 Y276 I281 L412 E413 C418 D419 A420	M137-T416 HydrophobicContact CE-CG2 3.3Å; M137-T416 HydrophobicContact SD-CG2 4.46Å; Y276-T416 HydrophobicContact CE2-CG2 4.3Å; I281-T416 HydrophobicContact CD1-CG2 3.91Å; I281-T416 HydrophobicContact CG1-CG2 4.04Å; I281-T416 HydrophobicContact CG2-CG2 4.02Å; L412-T416 HydrophobicContact CD1-CG2 4.19Å; L412-T416 WeakPolarHBondContact O-CB 3.45Å; L412-T416 VanDerWaalsContact O-CG2 3.31Å; L412-T416 WeakPolarHBondContact O-CG2 3.34Å; L412-T416 PolarHBondContact O-N 3.26Å; L412-T416 PolarHBondContact O-OG1 3.35Å; E413-T416 WeakPolarHBondContact CA-OG1 3.28Å; E413-T416 PolarHBondContact O-OG1 3.15Å; E413-T416 VanDerWaalsContact O-OG1 3.06Å; T416-C418 VanDerWaalsContact C-N 3.35Å; T416-C418 PolarHBondContact O-N 3.13Å; T416-D419 PolarHBondContact O-N 3.37Å; T416-A420 WeakPolarHBondContact O-CB 3.39Å; T416-A420 PolarHBondContact O-N 3.2Å
417	K	90.3	Very high	79.6	Confident	157 Å²	157	56.2 Å²	56.2	68%	0.683	35%	0.349	S	S	*	.	H	α-helix	trans	-61.7	-40.2	172	-175.7	176.6	-178.2	177	0	112.6	E413 I415 S421	E413-K417 WeakPolarHBondContact O-CB 3.16Å; E413-K417 PolarHBondContact O-N 3.09Å; I415-K417 VanDerWaalsContact C-N 3.3Å; I415-K417 PolarHBondContact O-N 3.23Å; K417-S421 WeakPolarHBondContact O-CB 3.46Å; K417-S421 PolarHBondContact O-N 3.19Å; K417-S421 VanDerWaalsContact O-N 3.1Å; K417-S421 PolarHBondContact O-OG 2.67Å
418	C	90.1	Very high	78.3	Confident	1 Å²	1	54.4 Å²	54.4	1%	0.007	34%	0.337	C	S	.	.	H	α-helix	trans	-64.1	-45.1	174.8	-64	0	0	0	0	111.9	A414 I415 T416 S421 G422 C547 L548	A414-C418 PolarHBondContact O-N 3.48Å; A414-C418 VanDerWaalsContact O-N 3.13Å; A414-C418 PolarHBondContact O-SG 3.48Å; I415-C418 WeakPolarHBondContact O-CA 3.49Å; I415-C418 WeakPolarHBondContact O-CB 3.49Å; I415-C418 PolarHBondContact O-N 3.04Å; T416-C418 VanDerWaalsContact C-N 3.35Å; T416-C418 PolarHBondContact O-N 3.13Å; C418-S421 PolarHBondContact O-N 3.41Å; C418-S421 PolarHBondContact O-OG 3.24Å; C418-G422 PolarHBondContact O-N 3.43Å; C418-C547 WeakPolarHBondContact CA-SG 3.47Å; C418-C547 HydrophobicContact CB-CB 3.7Å; C418-C547 WeakPolarHBondContact CB-SG 3.25Å; C418-C547 VanDerWaalsContact SG-CA 3.59Å; C418-C547 WeakPolarHBondContact SG-CB 3.25Å; C418-C547 PolarHBondContact SG-O 2.7Å; C418-C547 VanDerWaalsContact SG-O 3.35Å; C418-C547 CovalentContact SG-SG 2.04Å; C418-C547 PolarHBondContact SG-SG 3.31Å; C418-L548 HydrophobicContact CB-CD2 3.82Å; C418-L548 HydrophobicContact CB-CG 4.27Å
419	D	88.6	Confident	77.3	Confident	13 Å²	13	56 Å²	56	7%	0.07	35%	0.345	C	S	.	.	H	α-helix	trans	-63.2	-44.1	177.8	-175.1	57.8	0	0	0	112.8	R140 L144 Y276 I415 T416 S421 G422	R140-D419 IonicContact CZ-OD1 3.31Å; R140-D419 IonicContact CZ-OD2 2.73Å; R140-D419 IonicContact NE-OD1 3.57Å; R140-D419 PolarHBondContact NE-OD1 3.16Å; R140-D419 IonicContact NE-OD2 2.71Å; R140-D419 PolarHBondContact NE-OD2 3.47Å; R140-D419 IonicContact NH2-OD1 2.61Å; R140-D419 PolarHBondContact NH2-OD1 2.98Å; R140-D419 IonicContact NH2-OD2 3.41Å; R140-D419 PolarHBondContact NH2-OD2 3.18Å; L144-D419 HydrophobicContact CD1-CB 3.76Å; L144-D419 HydrophobicContact CD2-CB 4.31Å; Y276-D419 VanDerWaalsContact CE1-OD2 3.28Å; Y276-D419 WeakPolarHBondContact CE1-OD2 3.25Å; Y276-D419 PolarHBondContact OH-OD2 3.07Å; I415-D419 PolarHBondContact O-N 3.29Å; T416-D419 PolarHBondContact O-N 3.37Å; D419-S421 VanDerWaalsContact C-N 3.25Å; D419-S421 PolarHBondContact O-N 2.83Å; D419-G422 PolarHBondContact O-N 3Å; D419-G422 VanDerWaalsContact O-N 3.12Å
420	A	83.6	Confident	76.4	Confident	86 Å²	86	59.3 Å²	59.3	71%	0.711	36%	0.364	S	S	*	.	H	α-helix	trans	-63.4	-28.9	174.5	0	0	0	0	0	113.3	T416	T416-A420 WeakPolarHBondContact O-CB 3.39Å; T416-A420 PolarHBondContact O-N 3.2Å
421	S	72.9	Confident	76	Confident	77 Å²	77	59.8 Å²	59.8	54%	0.538	35%	0.353	S	S	.	.	H	α-helix	trans	-82	-18	175.3	77.2	0	0	0	0	113.9	K417 C418 D419 S423	K417-S421 WeakPolarHBondContact O-CB 3.46Å; K417-S421 PolarHBondContact O-N 3.19Å; K417-S421 VanDerWaalsContact O-N 3.1Å; K417-S421 PolarHBondContact O-OG 2.67Å; C418-S421 PolarHBondContact O-N 3.41Å; C418-S421 PolarHBondContact O-OG 3.24Å; D419-S421 VanDerWaalsContact C-N 3.25Å; D419-S421 PolarHBondContact O-N 2.83Å; S421-S423 PolarHBondContact O-N 3.48Å
422	G	65.3	Low	75.6	Confident	21 Å²	21	58.6 Å²	58.6	22%	0.216	35%	0.347	C	S	.	.	S	Bend	trans	-72.5	121.3	-176.2	0	0	0	0	0	111.9	C418 D419 S424	C418-G422 PolarHBondContact O-N 3.43Å; D419-G422 PolarHBondContact O-N 3Å; D419-G422 VanDerWaalsContact O-N 3.12Å; G422-S424 PolarHBondContact O-N 2.93Å
423	S	55.3	Low	75.3	Confident	60 Å²	60	60.9 Å²	60.9	42%	0.42	36%	0.362	S	S	.	.			trans	-66.3	104.6	165	58.8	0	0	0	0	108.9	S421 S425	S421-S423 PolarHBondContact O-N 3.48Å; S423-S425 PolarHBondContact O-N 3.18Å
424	S	52.4	Low	75.1	Confident	97 Å²	97	58.9 Å²	58.9	68%	0.678	36%	0.359	S	S	*	.			trans	-68.4	72	176.8	50.2	0	0	0	0	111.4	G422 T426	G422-S424 PolarHBondContact O-N 2.93Å; S424-T426 PolarHBondContact O-N 2.87Å
425	S	53.8	Low	75	Confident	30 Å²	30	57.6 Å²	57.6	21%	0.21	35%	0.348	C	S	.	.			trans	-62.3	110.6	170.7	69.9	0	0	0	0	108.4	S423 E427 H541	S423-S425 PolarHBondContact O-N 3.18Å; S425-E427 PolarHBondContact O-N 3.07Å; S425-H541 PolarHBondContact OG-NE2 3.1Å
426	T	53.8	Low	74.9	Confident	116 Å²	116	59.8 Å²	59.8	71%	0.712	36%	0.356	S	S	*	.			trans	-76.4	3.6	-176.1	46.1	0	0	0	0	113.8	S424 S428	S424-T426 PolarHBondContact O-N 2.87Å; T426-S428 PolarHBondContact O-N 3.21Å
427	E	58.5	Low	74.9	Confident	137 Å²	137	60.8 Å²	60.8	64%	0.64	37%	0.366	S	S	*	.			trans	-72	65.9	174.4	-64.6	-171.1	172.7	0	0	111.3	S425 L429 Y532 M535	S425-E427 PolarHBondContact O-N 3.07Å; E427-L429 PolarHBondContact O-N 2.94Å; E427-Y532 WeakPolarHBondContact O-CE2 3.34Å; E427-M535 HydrophobicContact CB-SD 4.08Å
428	S	62.7	Low	75.1	Confident	27 Å²	27	54.7 Å²	54.7	19%	0.189	34%	0.341	C	S	.	.			trans	-70.2	114.1	158.2	174	0	0	0	0	108.2	S268 T426 T430	S268-S428 WeakPolarHBondContact CB-OG 3.34Å; S268-S428 PolarHBondContact OG-OG 3.3Å; T426-S428 PolarHBondContact O-N 3.21Å; S428-T430 VanDerWaalsContact C-N 3.31Å; S428-T430 PolarHBondContact O-N 3.43Å; S428-T430 VanDerWaalsContact O-N 3.08Å
429	L	69.9	Low	75.2	Confident	39 Å²	39	54.7 Å²	54.7	20%	0.204	34%	0.34	C	S	.	.			trans	-88.6	76.7	-178.5	-129.4	153.1	0	0	0	108.6	E427 E431 L432 K528 Y532	E427-L429 PolarHBondContact O-N 2.94Å; L429-E431 HydrophobicContact CD2-CB 4.23Å; L429-E431 PolarHBondContact O-N 2.91Å; L429-L432 HydrophobicContact CB-CD1 3.8Å; L429-L432 HydrophobicContact CB-CG 3.97Å; L429-L432 HydrophobicContact CD2-CG 4.4Å; L429-L432 VanDerWaalsContact O-CB 3.28Å; L429-L432 WeakPolarHBondContact O-CB 3.4Å; L429-L432 PolarHBondContact O-N 2.95Å; L429-K528 HydrophobicContact CD1-CB 4.44Å; L429-K528 HydrophobicContact CD2-CB 4.08Å; L429-K528 HydrophobicContact CD2-CD 4.35Å; L429-Y532 HydrophobicContact CB-CD2 3.9Å; L429-Y532 HydrophobicContact CB-CE2 4.27Å; L429-Y532 HydrophobicContact CD1-CD2 3.92Å; L429-Y532 HydrophobicContact CD1-CG 4.45Å
430	T	72.4	Confident	75.5	Confident	106 Å²	106	58.3 Å²	58.3	65%	0.65	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.3	-17.8	-176.4	55.1	0	0	0	0	114.4	S428 P433	S428-T430 VanDerWaalsContact C-N 3.31Å; S428-T430 PolarHBondContact O-N 3.43Å; S428-T430 VanDerWaalsContact O-N 3.08Å; T430-P433 WeakPolarHBondContact O-CD 3.03Å
431	E	79.6	Confident	76	Confident	85 Å²	85	59.4 Å²	59.4	40%	0.397	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.9	-20.2	174.5	-56.8	179.1	164.3	0	0	113.8	L429 V434 I435 K528	L429-E431 HydrophobicContact CD2-CB 4.23Å; L429-E431 PolarHBondContact O-N 2.91Å; E431-V434 WeakPolarHBondContact O-CA 3.28Å; E431-V434 WeakPolarHBondContact O-CB 3.47Å; E431-V434 PolarHBondContact O-N 3.1Å; E431-I435 HydrophobicContact CB-CD1 4.3Å; E431-I435 WeakPolarHBondContact O-CG1 3.05Å; E431-I435 PolarHBondContact O-N 3.05Å; E431-K528 IonicContact OE1-NZ 3.13Å; E431-K528 VanDerWaalsContact OE2-CD 3.29Å; E431-K528 WeakPolarHBondContact OE2-CD 3.47Å; E431-K528 WeakPolarHBondContact OE2-CE 3.33Å; E431-K528 IonicContact OE2-NZ 2.76Å; E431-K528 PolarHBondContact OE2-NZ 2.82Å
432	L	83.1	Confident	77	Confident	1 Å²	1	55.7 Å²	55.7	1%	0.005	32%	0.319	C	S	.	.	H	α-helix	trans	-51.8	-45.9	-175.7	-86.6	171.4	0	0	0	114.2	I261 L429 V434 I435 Y436 I529 Y532	I261-L432 HydrophobicContact CD1-CB 3.76Å; I261-L432 HydrophobicContact CD1-CD2 4.13Å; I261-L432 HydrophobicContact CD1-CG 4.43Å; L429-L432 HydrophobicContact CB-CD1 3.8Å; L429-L432 HydrophobicContact CB-CG 3.97Å; L429-L432 HydrophobicContact CD2-CG 4.4Å; L429-L432 VanDerWaalsContact O-CB 3.28Å; L429-L432 WeakPolarHBondContact O-CB 3.4Å; L429-L432 PolarHBondContact O-N 2.95Å; L432-V434 VanDerWaalsContact C-N 3.26Å; L432-V434 PolarHBondContact O-N 2.9Å; L432-I435 PolarHBondContact O-N 2.88Å; L432-Y436 WeakPolarHBondContact O-CB 3.33Å; L432-Y436 PolarHBondContact O-N 3.21Å; L432-I529 HydrophobicContact CD2-CB 4.41Å; L432-I529 HydrophobicContact CD2-CD1 4.34Å; L432-I529 HydrophobicContact CD2-CG1 3.37Å; L432-Y532 HydrophobicContact CD1-CD1 3.77Å; L432-Y532 HydrophobicContact CD1-CD2 4.11Å; L432-Y532 HydrophobicContact CD1-CE1 4.12Å; L432-Y532 HydrophobicContact CD1-CE2 4.43Å; L432-Y532 HydrophobicContact CD1-CG 3.77Å
433	P	85.7	Confident	78.4	Confident	52 Å²	52	55.1 Å²	55.1	34%	0.338	31%	0.31	S	S	.	.	H	α-helix	trans	-59.8	-33.5	174.3	-24.2	34.6	0	0	0	113.8	I261 T430 A437	I261-P433 HydrophobicContact CG2-CB 4.47Å; I261-P433 HydrophobicContact CG2-CG 4.06Å; T430-P433 WeakPolarHBondContact O-CD 3.03Å; P433-A437 WeakPolarHBondContact O-CB 3.21Å; P433-A437 PolarHBondContact O-N 3.08Å
434	V	87.7	Confident	80.2	Confident	88 Å²	88	55.9 Å²	55.9	53%	0.533	31%	0.308	S	S	.	.	H	α-helix	trans	-72.4	-43.1	177.7	-176.8	0	0	0	0	110.3	E431 L432 Y436 A437 N438	E431-V434 WeakPolarHBondContact O-CA 3.28Å; E431-V434 WeakPolarHBondContact O-CB 3.47Å; E431-V434 PolarHBondContact O-N 3.1Å; L432-V434 VanDerWaalsContact C-N 3.26Å; L432-V434 PolarHBondContact O-N 2.9Å; V434-Y436 PolarHBondContact O-N 3.31Å; V434-A437 PolarHBondContact O-N 3.28Å; V434-N438 PolarHBondContact O-N 3.12Å; V434-N438 PolarHBondContact O-ND2 3.38Å
435	I	88.4	Confident	82	Confident	5 Å²	5	52.2 Å²	52.2	3%	0.026	29%	0.285	C	S	.	.	H	α-helix	trans	-60.5	-47.4	175.5	-56.6	166.5	0	0	0	109.8	E431 L432 A437 N438 M439 K528 I529	E431-I435 HydrophobicContact CB-CD1 4.3Å; E431-I435 WeakPolarHBondContact O-CG1 3.05Å; E431-I435 PolarHBondContact O-N 3.05Å; L432-I435 PolarHBondContact O-N 2.88Å; I435-A437 VanDerWaalsContact C-N 3.34Å; I435-A437 PolarHBondContact O-N 3.3Å; I435-N438 PolarHBondContact O-N 3.39Å; I435-N438 VanDerWaalsContact O-N 3.14Å; I435-M439 HydrophobicContact CG2-CE 4.16Å; I435-M439 WeakPolarHBondContact O-CG 3.37Å; I435-M439 PolarHBondContact O-N 3Å; I435-K528 HydrophobicContact CD1-CB 4.24Å; I435-K528 HydrophobicContact CD1-CD 4.29Å; I435-I529 HydrophobicContact CB-CD1 4.38Å; I435-I529 HydrophobicContact CG2-CD1 3.56Å; I435-I529 HydrophobicContact CG2-CG1 4.39Å
436	Y	89	Confident	83.9	Confident	45 Å²	45	50.8 Å²	50.8	18%	0.176	28%	0.275	C	S	.	.	H	α-helix	trans	-59.6	-40.1	176.6	-176.8	-89	0	0	0	112.8	F254 L255 F257 R258 I261 L432 V434 M439 K440	F254-Y436 HydrophobicContact CD2-CD2 4.16Å; F254-Y436 HydrophobicContact CD2-CE1 4.11Å; F254-Y436 AromaticContact CD2-CE2 3.68Å; F254-Y436 HydrophobicContact CD2-CE2 3.68Å; F254-Y436 AromaticContact CD2-CZ 3.66Å; F254-Y436 AromaticContact CE2-CE1 3.95Å; F254-Y436 HydrophobicContact CE2-CE1 3.95Å; F254-Y436 HydrophobicContact CE2-CE2 4.2Å; F254-Y436 AromaticContact CE2-CZ 3.68Å; F254-Y436 VanDerWaalsContact O-CE2 3.32Å; F254-Y436 WeakPolarHBondContact O-CE2 3.47Å; L255-Y436 WeakPolarHBondContact CD2-OH 3.36Å; F257-Y436 HydrophobicContact CB-CD2 4.48Å; R258-Y436 HydrophobicContact CB-CE2 4.07Å; I261-Y436 HydrophobicContact CD1-CD2 4.24Å; I261-Y436 HydrophobicContact CD1-CG 4.36Å; I261-Y436 HydrophobicContact CG1-CD2 3.83Å; I261-Y436 HydrophobicContact CG1-CE2 4.42Å; I261-Y436 HydrophobicContact CG1-CG 4.1Å; L432-Y436 WeakPolarHBondContact O-CB 3.33Å; L432-Y436 PolarHBondContact O-N 3.21Å; V434-Y436 PolarHBondContact O-N 3.31Å; Y436-M439 PolarHBondContact O-N 3.48Å; Y436-K440 PolarHBondContact O-N 3.22Å
437	A	91.1	Very high	85.7	Confident	33 Å²	33	50.7 Å²	50.7	27%	0.273	27%	0.265	S	S	.	.	H	α-helix	trans	-63.5	-42.9	173.8	0	0	0	0	0	112	P433 V434 I435 K440 F441	P433-A437 WeakPolarHBondContact O-CB 3.21Å; P433-A437 PolarHBondContact O-N 3.08Å; V434-A437 PolarHBondContact O-N 3.28Å; I435-A437 VanDerWaalsContact C-N 3.34Å; I435-A437 PolarHBondContact O-N 3.3Å; A437-K440 WeakPolarHBondContact O-CB 3.49Å; A437-K440 PolarHBondContact O-N 3.47Å; A437-F441 HydrophobicContact CB-CE2 4.31Å; A437-F441 WeakPolarHBondContact O-CD2 3.34Å; A437-F441 WeakPolarHBondContact O-CG 3.4Å; A437-F441 PolarHBondContact O-N 2.97Å
438	N	93.4	Very high	87.1	Confident	30 Å²	30	51.5 Å²	51.5	16%	0.16	27%	0.27	C	S	.	.	H	α-helix	trans	-66.7	-38.1	177.5	-69	-30.2	0	0	0	112.6	V434 I435 K440 F441 L442 L518 I521 V522	V434-N438 PolarHBondContact O-N 3.12Å; V434-N438 PolarHBondContact O-ND2 3.38Å; I435-N438 PolarHBondContact O-N 3.39Å; I435-N438 VanDerWaalsContact O-N 3.14Å; N438-K440 PolarHBondContact O-N 3.1Å; N438-F441 PolarHBondContact O-N 2.99Å; N438-L442 WeakPolarHBondContact O-CB 3.4Å; N438-L442 PolarHBondContact O-N 3.22Å; N438-L518 HydrophobicContact CB-CD2 4.41Å; N438-I521 HydrophobicContact CB-CG2 4.39Å; N438-I521 WeakPolarHBondContact ND2-CG2 3.4Å; N438-V522 HydrophobicContact CB-CG2 3.86Å
439	M	93.2	Very high	88.5	Confident	0 Å²	0	51 Å²	51	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-59	-45.9	171.5	-70.2	178.4	159.8	0	0	111.8	Y164 F254 F257 I435 Y436 F441 L442 D443 V522 F526 I529	Y164-M439 HydrophobicContact CD1-CE 4.23Å; Y164-M439 HydrophobicContact CE1-CE 3.6Å; Y164-M439 HydrophobicContact CE1-CG 4.5Å; Y164-M439 HydrophobicContact CE1-SD 4.32Å; Y164-M439 WeakPolarHBondContact OH-CG 3.2Å; F254-M439 HydrophobicContact CB-CB 3.71Å; F254-M439 HydrophobicContact CB-SD 4.18Å; F254-M439 HydrophobicContact CG-CB 4.36Å; F257-M439 HydrophobicContact CD2-CE 4.13Å; F257-M439 HydrophobicContact CD2-SD 3.75Å; F257-M439 HydrophobicContact CE2-CE 3.92Å; F257-M439 HydrophobicContact CE2-SD 4.01Å; I435-M439 HydrophobicContact CG2-CE 4.16Å; I435-M439 WeakPolarHBondContact O-CG 3.37Å; I435-M439 PolarHBondContact O-N 3Å; Y436-M439 PolarHBondContact O-N 3.48Å; M439-F441 VanDerWaalsContact C-N 3.34Å; M439-F441 PolarHBondContact O-N 2.99Å; M439-L442 PolarHBondContact O-N 3.17Å; M439-D443 WeakPolarHBondContact O-CB 3.47Å; M439-D443 PolarHBondContact O-N 3.42Å; M439-V522 HydrophobicContact CE-CG1 4.12Å; M439-V522 HydrophobicContact CG-CG1 3.79Å; M439-V522 HydrophobicContact CG-CG2 4.14Å; M439-F526 HydrophobicContact CE-CD2 3.49Å; M439-F526 VanDerWaalsContact CE-CD2 3.49Å; M439-F526 HydrophobicContact CE-CE2 3.84Å; M439-I529 HydrophobicContact CE-CD1 3.28Å; M439-I529 HydrophobicContact SD-CD1 3.93Å
440	K	94	Very high	89.5	Confident	90 Å²	90	50.2 Å²	50.2	39%	0.391	26%	0.263	S	S	.	.	H	α-helix	trans	-62.1	-39.7	175.5	179.1	-178.2	175.5	-173.2	0	112	F254 Y436 A437 N438 Q444	F254-K440 HydrophobicContact CD2-CB 4.17Å; F254-K440 HydrophobicContact CE1-CB 4.19Å; F254-K440 HydrophobicContact CE1-CG 4.23Å; F254-K440 HydrophobicContact CE2-CB 3.77Å; F254-K440 HydrophobicContact CE2-CD 4.29Å; F254-K440 HydrophobicContact CE2-CG 4.05Å; F254-K440 HydrophobicContact CZ-CB 3.8Å; F254-K440 HydrophobicContact CZ-CD 4.19Å; F254-K440 HydrophobicContact CZ-CG 3.69Å; Y436-K440 PolarHBondContact O-N 3.22Å; A437-K440 WeakPolarHBondContact O-CB 3.49Å; A437-K440 PolarHBondContact O-N 3.47Å; N438-K440 PolarHBondContact O-N 3.1Å; K440-Q444 WeakPolarHBondContact O-CB 3.35Å; K440-Q444 VanDerWaalsContact O-CG 3.24Å; K440-Q444 WeakPolarHBondContact O-CG 3.4Å; K440-Q444 PolarHBondContact O-N 2.72Å
441	F	94	Very high	90.3	Very high	108 Å²	108	47.9 Å²	47.9	47%	0.474	25%	0.25	S	S	.	.	H	α-helix	trans	-69.8	-36.9	176.7	-67.2	-44.8	0	0	0	112.8	A437 N438 M439 G445 L518	A437-F441 HydrophobicContact CB-CE2 4.31Å; A437-F441 WeakPolarHBondContact O-CD2 3.34Å; A437-F441 WeakPolarHBondContact O-CG 3.4Å; A437-F441 PolarHBondContact O-N 2.97Å; N438-F441 PolarHBondContact O-N 2.99Å; M439-F441 VanDerWaalsContact C-N 3.34Å; M439-F441 PolarHBondContact O-N 2.99Å; F441-G445 PolarHBondContact O-N 3.12Å; F441-L518 HydrophobicContact CB-CD1 4.11Å; F441-L518 HydrophobicContact CB-CD2 4.14Å
442	L	94.6	Very high	90.9	Very high	0 Å²	0	44 Å²	44	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-60.5	-49.4	173.6	-178.7	65.3	0	0	0	110.8	L168 V171 N438 M439 G445 L446 L515 L518 L519 V522	L168-L442 HydrophobicContact CD1-CD2 3.56Å; V171-L442 HydrophobicContact CG1-CD1 4.18Å; N438-L442 WeakPolarHBondContact O-CB 3.4Å; N438-L442 PolarHBondContact O-N 3.22Å; M439-L442 PolarHBondContact O-N 3.17Å; L442-G445 PolarHBondContact O-N 2.79Å; L442-L446 HydrophobicContact CG-CD1 4.44Å; L442-L446 WeakPolarHBondContact O-CG 3.36Å; L442-L446 PolarHBondContact O-N 3.06Å; L442-L515 HydrophobicContact CD1-CD2 4.01Å; L442-L518 HydrophobicContact CB-CB 4.3Å; L442-L518 HydrophobicContact CD1-CB 3.93Å; L442-L519 HydrophobicContact CD1-CB 4.31Å; L442-V522 HydrophobicContact CD2-CB 4.38Å; L442-V522 HydrophobicContact CD2-CG1 4.44Å; L442-V522 HydrophobicContact CD2-CG2 4.36Å
443	D	93.4	Very high	91.1	Very high	8 Å²	8	47.9 Å²	47.9	4%	0.043	25%	0.253	C	S	.	.	H	α-helix	trans	-59.8	-52.1	176.7	179	20.9	0	0	0	112	D251 N252 F254 M439 G445 L446 K447	D251-D443 WeakPolarHBondContact CA-OD1 3.38Å; N252-D443 PolarHBondContact N-OD2 2.9Å; F254-D443 HydrophobicContact CD1-CB 4.3Å; F254-D443 HydrophobicContact CE1-CB 4.43Å; F254-D443 WeakPolarHBondContact CE1-OD2 3.46Å; M439-D443 WeakPolarHBondContact O-CB 3.47Å; M439-D443 PolarHBondContact O-N 3.42Å; D443-G445 PolarHBondContact O-N 3.46Å; D443-L446 PolarHBondContact O-N 2.97Å; D443-K447 WeakPolarHBondContact O-CB 3.18Å; D443-K447 PolarHBondContact O-N 3.43Å
444	Q	92.7	Very high	91.2	Very high	77 Å²	77	46.5 Å²	46.5	36%	0.36	24%	0.241	S	C	.	.	H	α-helix	trans	-56	-39.8	174.9	-74.6	-179.1	-18.3	0	0	112.5	K440 L446 K447 M448	K440-Q444 WeakPolarHBondContact O-CB 3.35Å; K440-Q444 VanDerWaalsContact O-CG 3.24Å; K440-Q444 WeakPolarHBondContact O-CG 3.4Å; K440-Q444 PolarHBondContact O-N 2.72Å; Q444-L446 VanDerWaalsContact C-N 3.35Å; Q444-L446 PolarHBondContact O-N 3.35Å; Q444-K447 PolarHBondContact O-N 3.16Å; Q444-M448 VanDerWaalsContact O-CG 3.29Å; Q444-M448 WeakPolarHBondContact O-CG 3.2Å; Q444-M448 PolarHBondContact O-N 3.49Å
445	G	91.5	Very high	91.2	Very high	19 Å²	19	42.5 Å²	42.5	20%	0.196	22%	0.217	C	C	.	.	H	α-helix	trans	-62.1	-38.1	176.2	0	0	0	0	0	113.3	F441 L442 D443 Q449	F441-G445 PolarHBondContact O-N 3.12Å; L442-G445 PolarHBondContact O-N 2.79Å; D443-G445 PolarHBondContact O-N 3.46Å; G445-Q449 WeakPolarHBondContact O-CG 3.34Å; G445-Q449 PolarHBondContact O-NE2 3.49Å
446	L	93.1	Very high	91.1	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-73.3	-42	174.9	-69.3	162.2	0	0	0	111.7	V171 F174 A247 K248 I250 L442 D443 Q444 M448 Q449 L515	V171-L446 HydrophobicContact CB-CD1 4.41Å; V171-L446 HydrophobicContact CG1-CD1 3.94Å; V171-L446 HydrophobicContact CG1-CD2 4.33Å; V171-L446 HydrophobicContact CG2-CD1 3.5Å; F174-L446 HydrophobicContact CD1-CD2 4.1Å; F174-L446 HydrophobicContact CE1-CD2 4.24Å; A247-L446 HydrophobicContact CB-CD2 4.36Å; K248-L446 WeakPolarHBondContact CE-O 3.32Å; K248-L446 HydrophobicContact CG-CB 4.49Å; I250-L446 HydrophobicContact CG2-CD1 3.71Å; L442-L446 HydrophobicContact CG-CD1 4.44Å; L442-L446 WeakPolarHBondContact O-CG 3.36Å; L442-L446 PolarHBondContact O-N 3.06Å; D443-L446 PolarHBondContact O-N 2.97Å; Q444-L446 VanDerWaalsContact C-N 3.35Å; Q444-L446 PolarHBondContact O-N 3.35Å; L446-M448 VanDerWaalsContact C-N 3.29Å; L446-M448 PolarHBondContact O-N 3.49Å; L446-Q449 WeakPolarHBondContact O-CB 3.47Å; L446-Q449 WeakPolarHBondContact O-CG 3.35Å; L446-Q449 PolarHBondContact O-N 3.3Å; L446-Q449 VanDerWaalsContact O-N 3.09Å; L446-L515 HydrophobicContact CD2-CD1 4.35Å; L446-L515 HydrophobicContact CD2-CD2 4.34Å; L446-L515 HydrophobicContact CG-CD2 4.11Å
447	K	90.9	Very high	90.9	Very high	115 Å²	115	47 Å²	47	50%	0.5	24%	0.242	S	C	.	.	H	α-helix	trans	-62.4	-33.6	179.5	-166.2	166	-166.8	147.4	0	113	D251 D443 Q444 Q449	D251-K447 IonicContact OD1-NZ 2.81Å; D251-K447 PolarHBondContact OD1-NZ 3.21Å; D251-K447 IonicContact OD2-NZ 2.72Å; D251-K447 PolarHBondContact OD2-NZ 3.45Å; D443-K447 WeakPolarHBondContact O-CB 3.18Å; D443-K447 PolarHBondContact O-N 3.43Å; Q444-K447 PolarHBondContact O-N 3.16Å; K447-Q449 VanDerWaalsContact C-N 3.27Å; K447-Q449 PolarHBondContact O-N 2.94Å
448	M	89.3	Confident	90.8	Very high	154 Å²	154	45.5 Å²	45.5	76%	0.759	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.4	-14.9	175.2	-73.3	-178.8	-171	0	0	114.4	Q444 L446	Q444-M448 VanDerWaalsContact O-CG 3.29Å; Q444-M448 WeakPolarHBondContact O-CG 3.2Å; Q444-M448 PolarHBondContact O-N 3.49Å; L446-M448 VanDerWaalsContact C-N 3.29Å; L446-M448 PolarHBondContact O-N 3.49Å
449	Q	91.4	Very high	90.5	Very high	16 Å²	16	47.6 Å²	47.6	8%	0.075	24%	0.237	C	C	.	.	S	Bend	trans	-72.7	149.3	179.5	-53.9	-50.2	-38.4	0	0	111.4	L244 K248 G445 L446 K447 L508 S511	L244-Q449 HydrophobicContact CD1-CB 4.45Å; K248-Q449 PolarHBondContact NZ-O 2.95Å; G445-Q449 WeakPolarHBondContact O-CG 3.34Å; G445-Q449 PolarHBondContact O-NE2 3.49Å; L446-Q449 WeakPolarHBondContact O-CB 3.47Å; L446-Q449 WeakPolarHBondContact O-CG 3.35Å; L446-Q449 PolarHBondContact O-N 3.3Å; L446-Q449 VanDerWaalsContact O-N 3.09Å; K447-Q449 VanDerWaalsContact C-N 3.27Å; K447-Q449 PolarHBondContact O-N 2.94Å; Q449-L508 HydrophobicContact CB-CD1 4.34Å; Q449-L508 HydrophobicContact CG-CD1 3.73Å; Q449-S511 VanDerWaalsContact NE2-CB 3.32Å; Q449-S511 PolarHBondContact NE2-OG 2.96Å
450	S	91.4	Very high	90.3	Very high	23 Å²	23	51.9 Å²	51.9	16%	0.161	26%	0.26	C	S	.	.			trans	-59.2	155.5	172.5	-160	0	0	0	0	111	K248 F452 D504	K248-S450 PolarHBondContact NZ-O 3.5Å; S450-F452 VanDerWaalsContact C-N 3.33Å; S450-F452 WeakPolarHBondContact O-CD2 3.23Å; S450-D504 VanDerWaalsContact CB-OD2 3.23Å; S450-D504 WeakPolarHBondContact CB-OD2 3.49Å; S450-D504 PolarHBondContact OG-OD2 2.6Å
451	S	88.9	Confident	90.1	Very high	56 Å²	56	47.7 Å²	47.7	39%	0.392	24%	0.241	S	C	.	.			trans	-81.1	-18.5	170.7	64.3	0	0	0	0	112.3	D453	S451-D453 WeakPolarHBondContact CB-OD2 3.32Å; S451-D453 PolarHBondContact O-N 3.28Å; S451-D453 VanDerWaalsContact O-N 3.1Å; S451-D453 PolarHBondContact OG-OD2 3Å
452	F	91.6	Very high	89.8	Confident	4 Å²	4	45 Å²	45	2%	0.018	24%	0.237	C	C	.	.			trans	56.5	14.5	-176	-61.2	-88.7	0	0	0	115.2	V241 L244 S450 Y454 I455 F501 D504 F505 L508	V241-F452 HydrophobicContact CG1-CB 4.3Å; V241-F452 HydrophobicContact CG2-CB 3.59Å; V241-F452 HydrophobicContact CG2-CD2 4.44Å; V241-F452 HydrophobicContact CG2-CG 4.16Å; L244-F452 HydrophobicContact CD2-CD2 3.91Å; L244-F452 HydrophobicContact CD2-CE2 4.01Å; S450-F452 VanDerWaalsContact C-N 3.33Å; S450-F452 WeakPolarHBondContact O-CD2 3.23Å; F452-Y454 PolarHBondContact O-N 3.33Å; F452-I455 WeakPolarHBondContact O-CB 3.43Å; F452-I455 VanDerWaalsContact O-CG2 3.23Å; F452-I455 WeakPolarHBondContact O-CG2 3.4Å; F452-I455 PolarHBondContact O-N 2.89Å; F452-F501 AromaticContact CD1-CD2 4Å; F452-F501 HydrophobicContact CD1-CD2 4Å; F452-F501 AromaticContact CD1-CE2 3.85Å; F452-F501 HydrophobicContact CD1-CE2 3.85Å; F452-F501 HydrophobicContact CE1-CE2 4.44Å; F452-D504 HydrophobicContact CE1-CB 3.8Å; F452-D504 HydrophobicContact CZ-CB 4.04Å; F452-F505 HydrophobicContact CE1-CB 4.27Å; F452-L508 HydrophobicContact CE2-CD2 3.89Å; F452-L508 HydrophobicContact CZ-CB 4.31Å; F452-L508 HydrophobicContact CZ-CD2 3.96Å
453	D	87.8	Confident	89.4	Confident	83 Å²	83	50 Å²	50	44%	0.444	26%	0.262	S	S	.	.	G	3₁₀ helix	trans	-58.1	-23.7	-175.5	-59.9	-52.2	0	0	0	113.8	R245 S451 I455 N456	R245-D453 IonicContact NH2-OD1 3.27Å; S451-D453 WeakPolarHBondContact CB-OD2 3.32Å; S451-D453 PolarHBondContact O-N 3.28Å; S451-D453 VanDerWaalsContact O-N 3.1Å; S451-D453 PolarHBondContact OG-OD2 3Å; D453-I455 PolarHBondContact O-N 2.69Å; D453-N456 PolarHBondContact O-ND2 2.84Å
454	Y	87.4	Confident	89.1	Confident	22 Å²	22	49.7 Å²	49.7	9%	0.086	26%	0.261	C	S	.	.	G	3₁₀ helix	trans	-69.3	-15	175.3	54.8	-93.9	0	0	0	114	F452 N456 Q457 N497 K500 F501 D504	F452-Y454 PolarHBondContact O-N 3.33Å; Y454-N456 PolarHBondContact O-N 3.26Å; Y454-N456 VanDerWaalsContact O-N 3.15Å; Y454-Q457 WeakPolarHBondContact O-CB 3.3Å; Y454-Q457 PolarHBondContact O-N 3.46Å; Y454-Q457 VanDerWaalsContact O-N 3.11Å; Y454-N497 HydrophobicContact CD2-CB 3.97Å; Y454-N497 HydrophobicContact CG-CB 4.36Å; Y454-K500 HydrophobicContact CD1-CD 4.47Å; Y454-K500 HydrophobicContact CE1-CD 4.01Å; Y454-K500 HydrophobicContact CE1-CG 4.34Å; Y454-K500 PolarHBondContact OH-O 3.31Å; Y454-F501 HydrophobicContact CE2-CB 3.85Å; Y454-F501 AromaticContact CE2-CD2 3.93Å; Y454-F501 HydrophobicContact CE2-CD2 3.93Å; Y454-F501 HydrophobicContact CE2-CG 4.39Å; Y454-D504 WeakPolarHBondContact OH-CB 3.45Å; Y454-D504 PolarHBondContact OH-OD2 3.15Å; Y454-D504 VanDerWaalsContact OH-OD2 3.04Å
455	I	87.5	Confident	88.9	Confident	4 Å²	4	47.5 Å²	47.5	2%	0.021	25%	0.251	C	S	.	.	G	3₁₀ helix	trans	-58.6	-27.4	175.8	-158.3	-170.6	0	0	0	112.1	V234 F237 F452 D453 Q457 F458 F501	V234-I455 HydrophobicContact CG1-CD1 4.15Å; V234-I455 HydrophobicContact CG1-CG1 4.2Å; V234-I455 HydrophobicContact CG2-CG1 4.44Å; F237-I455 HydrophobicContact CB-CD1 3.64Å; F452-I455 WeakPolarHBondContact O-CB 3.43Å; F452-I455 VanDerWaalsContact O-CG2 3.23Å; F452-I455 WeakPolarHBondContact O-CG2 3.4Å; F452-I455 PolarHBondContact O-N 2.89Å; D453-I455 PolarHBondContact O-N 2.69Å; I455-Q457 PolarHBondContact O-N 3.32Å; I455-F458 HydrophobicContact CG1-CD2 4.45Å; I455-F458 PolarHBondContact O-N 2.88Å; I455-F501 HydrophobicContact CB-CD2 4.35Å; I455-F501 HydrophobicContact CB-CE2 4.11Å; I455-F501 HydrophobicContact CD1-CD2 4.45Å; I455-F501 HydrophobicContact CD1-CE2 3.54Å; I455-F501 HydrophobicContact CD1-CZ 3.96Å; I455-F501 HydrophobicContact CG1-CD2 4.09Å; I455-F501 HydrophobicContact CG1-CE2 3.65Å; I455-F501 HydrophobicContact CG1-CZ 4.42Å
456	N	86.1	Confident	88.7	Confident	73 Å²	73	51.3 Å²	51.3	39%	0.39	27%	0.271	S	S	.	.	G	3₁₀ helix	trans	-56.3	-26.3	177.6	-70.9	-61.8	0	0	0	113.1	D453 Y454 F458 K459	D453-N456 PolarHBondContact O-ND2 2.84Å; Y454-N456 PolarHBondContact O-N 3.26Å; Y454-N456 VanDerWaalsContact O-N 3.15Å; N456-F458 PolarHBondContact O-N 3.41Å; N456-K459 HydrophobicContact CB-CD 4.46Å; N456-K459 WeakPolarHBondContact O-CB 3.45Å; N456-K459 PolarHBondContact O-N 3.42Å; N456-K459 WeakPolarHBondContact OD1-CE 3.4Å; N456-K459 PolarHBondContact OD1-NZ 3.48Å
457	Q	86.6	Confident	88.2	Confident	71 Å²	71	57.5 Å²	57.5	33%	0.332	29%	0.294	S	S	.	.	G	3₁₀ helix	trans	-68.7	-17.7	177.3	-60.3	178.7	12.8	0	0	113.1	Y454 I455 R494 N497	Y454-Q457 WeakPolarHBondContact O-CB 3.3Å; Y454-Q457 PolarHBondContact O-N 3.46Å; Y454-Q457 VanDerWaalsContact O-N 3.11Å; I455-Q457 PolarHBondContact O-N 3.32Å; Q457-R494 PolarHBondContact O-NH1 2.89Å; Q457-N497 PolarHBondContact NE2-ND2 3.34Å; Q457-N497 PolarHBondContact OE1-ND2 3.4Å
458	F	88.1	Confident	87.9	Confident	2 Å²	2	52.1 Å²	52.1	1%	0.009	27%	0.271	C	S	.	.	G	3₁₀ helix	trans	-97.3	-2.6	179	-53.7	-61.8	0	0	0	113.5	M196 V230 V234 I455 N456 D460 L461 R494 N497 A498	M196-F458 HydrophobicContact CE-CD1 3.9Å; M196-F458 HydrophobicContact CE-CE1 3.64Å; M196-F458 HydrophobicContact CE-CZ 4.29Å; M196-F458 HydrophobicContact SD-CD1 4.4Å; M196-F458 HydrophobicContact SD-CE1 4.48Å; V230-F458 HydrophobicContact CG1-CB 4.12Å; V230-F458 HydrophobicContact CG1-CG 4.48Å; V234-F458 HydrophobicContact CG2-CB 3.55Å; I455-F458 HydrophobicContact CG1-CD2 4.45Å; I455-F458 PolarHBondContact O-N 2.88Å; N456-F458 PolarHBondContact O-N 3.41Å; F458-D460 VanDerWaalsContact C-N 3.31Å; F458-L461 HydrophobicContact CD1-CD2 4.33Å; F458-R494 HydrophobicContact CE1-CB 4.32Å; F458-N497 HydrophobicContact CE2-CB 4.38Å; F458-N497 HydrophobicContact CZ-CB 4.05Å; F458-A498 HydrophobicContact CE1-CB 4.27Å; F458-A498 HydrophobicContact CZ-CB 3.91Å
459	K	87.7	Confident	87.5	Confident	75 Å²	75	49.2 Å²	49.2	33%	0.326	26%	0.262	S	S	.	.	S	Bend	trans	-66.8	-32.4	174.9	-71.8	178.6	166.9	177.6	0	113.1	Q231 V234 E238 N456	Q231-K459 WeakPolarHBondContact CG-O 3.45Å; V234-K459 HydrophobicContact CG1-CG 3.65Å; E238-K459 VanDerWaalsContact CD-CE 3.45Å; E238-K459 WeakPolarHBondContact OE1-CE 3.47Å; E238-K459 IonicContact OE1-NZ 2.66Å; E238-K459 PolarHBondContact OE1-NZ 3.33Å; E238-K459 WeakPolarHBondContact OE2-CE 3.41Å; E238-K459 IonicContact OE2-NZ 3.14Å; E238-K459 PolarHBondContact OE2-NZ 2.97Å; E238-K459 VanDerWaalsContact OE2-NZ 3.15Å; N456-K459 HydrophobicContact CB-CD 4.46Å; N456-K459 WeakPolarHBondContact O-CB 3.45Å; N456-K459 PolarHBondContact O-N 3.42Å; N456-K459 WeakPolarHBondContact OD1-CE 3.4Å; N456-K459 PolarHBondContact OD1-NZ 3.48Å
460	D	88.6	Confident	86.4	Confident	90 Å²	90	50.2 Å²	50.2	48%	0.481	27%	0.267	S	S	.	.			trans	-128	108.2	176.4	-176.8	17.7	0	0	0	110.1	F458 S462 R494	F458-D460 VanDerWaalsContact C-N 3.31Å; D460-S462 WeakPolarHBondContact OD1-CB 3.31Å; D460-S462 PolarHBondContact OD1-N 2.93Å; D460-S462 PolarHBondContact OD1-OG 3.15Å; D460-R494 PolarHBondContact O-NH1 3.31Å
461	L	89.2	Confident	84.9	Confident	1 Å²	1	51 Å²	51	1%	0.005	28%	0.28	C	S	.	.			trans	-113	11.2	172.2	-56.1	177.9	0	0	0	110.8	F227 V230 Q231 F458 L463 L464 I465	F227-L461 HydrophobicContact CB-CB 4.22Å; F227-L461 HydrophobicContact CB-CD1 4.06Å; F227-L461 WeakPolarHBondContact O-CD1 3.29Å; V230-L461 HydrophobicContact CB-CD1 4.01Å; V230-L461 HydrophobicContact CG1-CD1 3.93Å; Q231-L461 HydrophobicContact CB-CD1 4.25Å; Q231-L461 HydrophobicContact CB-CG 4.46Å; F458-L461 HydrophobicContact CD1-CD2 4.33Å; L461-L463 VanDerWaalsContact C-N 3.27Å; L461-L463 PolarHBondContact O-N 3.36Å; L461-L464 HydrophobicContact CD2-CD1 3.82Å; L461-L464 WeakPolarHBondContact O-CA 3.38Å; L461-L464 WeakPolarHBondContact O-CB 3.45Å; L461-L464 PolarHBondContact O-N 2.95Å; L461-I465 HydrophobicContact CB-CD1 4.34Å; L461-I465 WeakPolarHBondContact O-CG1 3.38Å; L461-I465 PolarHBondContact O-N 2.82Å
462	S	88.3	Confident	83.1	Confident	53 Å²	53	53.9 Å²	53.9	37%	0.371	30%	0.297	S	S	.	.	H	α-helix	trans	-57.1	-39.3	-175	-46.7	0	0	0	0	112	D460 L464 I465 T466	D460-S462 WeakPolarHBondContact OD1-CB 3.31Å; D460-S462 PolarHBondContact OD1-N 2.93Å; D460-S462 PolarHBondContact OD1-OG 3.15Å; S462-L464 VanDerWaalsContact C-N 3.33Å; S462-L464 PolarHBondContact O-N 2.96Å; S462-I465 PolarHBondContact O-N 2.99Å; S462-T466 WeakPolarHBondContact O-CB 3.25Å; S462-T466 PolarHBondContact O-N 3.43Å; S462-T466 PolarHBondContact O-OG1 3.25Å
463	L	86.2	Confident	81.5	Confident	104 Å²	104	61.7 Å²	61.7	55%	0.545	33%	0.333	S	S	.	.	H	α-helix	trans	-63.9	-35.4	175.8	-177.5	60.7	0	0	0	113	L461 R467 W486	L461-L463 VanDerWaalsContact C-N 3.27Å; L461-L463 PolarHBondContact O-N 3.36Å; L463-R467 HydrophobicContact CD1-CG 4.31Å; L463-R467 VanDerWaalsContact O-CB 3.3Å; L463-R467 WeakPolarHBondContact O-CB 3.33Å; L463-R467 WeakPolarHBondContact O-CG 3.47Å; L463-R467 PolarHBondContact O-N 3.45Å; L463-R467 VanDerWaalsContact O-N 3.13Å; L463-W486 HydrophobicContact CD2-CH2 4.37Å; L463-W486 HydrophobicContact CD2-CZ2 3.78Å; L463-W486 HydrophobicContact CG-CH2 4.08Å; L463-W486 HydrophobicContact CG-CZ2 3.87Å
464	L	85.8	Confident	79.8	Confident	2 Å²	2	67.4 Å²	67.4	1%	0.01	35%	0.354	C	S	.	.	H	α-helix	trans	-70.9	-50.7	174	-72.8	160.4	0	0	0	109.7	F227 L461 S462 T466 R467 F468 W486 F487	F227-L464 HydrophobicContact CD2-CB 3.88Å; F227-L464 HydrophobicContact CE2-CB 4.01Å; F227-L464 HydrophobicContact CG-CB 4.43Å; L461-L464 HydrophobicContact CD2-CD1 3.82Å; L461-L464 WeakPolarHBondContact O-CA 3.38Å; L461-L464 WeakPolarHBondContact O-CB 3.45Å; L461-L464 PolarHBondContact O-N 2.95Å; S462-L464 VanDerWaalsContact C-N 3.33Å; S462-L464 PolarHBondContact O-N 2.96Å; L464-T466 VanDerWaalsContact C-N 3.32Å; L464-T466 PolarHBondContact O-N 3.05Å; L464-R467 PolarHBondContact O-N 3.19Å; L464-R467 VanDerWaalsContact O-N 3.08Å; L464-F468 HydrophobicContact CD2-CD2 4.47Å; L464-F468 HydrophobicContact CD2-CE2 4Å; L464-F468 WeakPolarHBondContact O-CD2 3.49Å; L464-F468 PolarHBondContact O-N 3.43Å; L464-W486 HydrophobicContact CD2-CH2 3.84Å; L464-W486 HydrophobicContact CD2-CZ3 3.81Å; L464-W486 HydrophobicContact CG-CH2 4.37Å; L464-F487 HydrophobicContact CD2-CD2 3.69Å; L464-F487 HydrophobicContact CD2-CE2 3.87Å
465	I	88.6	Confident	78.8	Confident	30 Å²	30	72.6 Å²	72.6	15%	0.154	38%	0.383	C	S	.	.	H	α-helix	trans	-50.1	-50.7	176.1	-72.1	163.7	0	0	0	111	V224 F227 E228 L461 S462 T469	V224-I465 HydrophobicContact CG1-CG2 4.06Å; F227-I465 HydrophobicContact CB-CD1 4.35Å; F227-I465 HydrophobicContact CB-CG1 3.85Å; E228-I465 HydrophobicContact CG-CD1 3.88Å; E228-I465 HydrophobicContact CG-CG1 4.39Å; L461-I465 HydrophobicContact CB-CD1 4.34Å; L461-I465 WeakPolarHBondContact O-CG1 3.38Å; L461-I465 PolarHBondContact O-N 2.82Å; S462-I465 PolarHBondContact O-N 2.99Å; I465-T469 PolarHBondContact O-N 3.17Å; I465-T469 PolarHBondContact O-OG1 3.29Å
466	T	87.4	Confident	78	Confident	100 Å²	100	76.8 Å²	76.8	61%	0.613	40%	0.402	S	S	*	.	H	α-helix	trans	-63.7	-43.5	177.6	-54.9	0	0	0	0	112.4	S462 L464 F468 T469	S462-T466 WeakPolarHBondContact O-CB 3.25Å; S462-T466 PolarHBondContact O-N 3.43Å; S462-T466 PolarHBondContact O-OG1 3.25Å; L464-T466 VanDerWaalsContact C-N 3.32Å; L464-T466 PolarHBondContact O-N 3.05Å; T466-F468 PolarHBondContact O-N 2.83Å; T466-T469 PolarHBondContact O-N 3.07Å
467	R	83.5	Confident	77.5	Confident	130 Å²	130	75.6 Å²	75.6	49%	0.491	39%	0.394	S	S	.	.	H	α-helix	trans	-70.8	-28	-177.2	-75.6	-70.9	-176.9	172.1	-0.1	114.3	L463 L464 V483 W486	L463-R467 HydrophobicContact CD1-CG 4.31Å; L463-R467 VanDerWaalsContact O-CB 3.3Å; L463-R467 WeakPolarHBondContact O-CB 3.33Å; L463-R467 WeakPolarHBondContact O-CG 3.47Å; L463-R467 PolarHBondContact O-N 3.45Å; L463-R467 VanDerWaalsContact O-N 3.13Å; L464-R467 PolarHBondContact O-N 3.19Å; L464-R467 VanDerWaalsContact O-N 3.08Å; R467-V483 WeakPolarHBondContact O-CG2 3.41Å; R467-W486 HydrophobicContact CB-CE3 4.41Å; R467-W486 HydrophobicContact CB-CH2 4.5Å; R467-W486 HydrophobicContact CB-CZ3 4.02Å; R467-W486 HydrophobicContact CG-CE3 4.34Å; R467-W486 HydrophobicContact CG-CH2 4.21Å; R467-W486 HydrophobicContact CG-CZ3 4.08Å
468	F	83.9	Confident	77.2	Confident	2 Å²	2	77.9 Å²	77.9	1%	0.009	41%	0.405	C	S	.	.	H	α-helix	trans	-89.3	-4.6	174.6	-75.9	-85.1	0	0	0	113.1	L203 F220 Y223 V224 F227 L464 T466 I470 V483 F487	L203-F468 HydrophobicContact CD1-CE1 3.97Å; L203-F468 HydrophobicContact CD1-CZ 3.61Å; L203-F468 HydrophobicContact CD2-CE1 3.94Å; L203-F468 HydrophobicContact CD2-CZ 4.2Å; F220-F468 WeakPolarHBondContact CB-O 3.39Å; F220-F468 AromaticContact CD1-CD1 3.64Å; F220-F468 HydrophobicContact CD1-CD1 3.64Å; F220-F468 HydrophobicContact CD1-CE1 4.08Å; F220-F468 AromaticContact CD2-CD1 4Å; F220-F468 HydrophobicContact CD2-CD1 4Å; F220-F468 AromaticContact CE1-CD1 3.55Å; F220-F468 HydrophobicContact CE1-CD1 3.55Å; F220-F468 AromaticContact CE1-CE1 3.56Å; F220-F468 HydrophobicContact CE1-CE1 3.56Å; F220-F468 AromaticContact CE2-CD1 3.95Å; F220-F468 HydrophobicContact CE2-CD1 3.95Å; F220-F468 HydrophobicContact CE2-CE1 4.38Å; F220-F468 AromaticContact CG-CD1 3.86Å; F220-F468 HydrophobicContact CG-CD1 3.86Å; F220-F468 AromaticContact CZ-CD1 3.74Å; F220-F468 HydrophobicContact CZ-CD1 3.74Å; F220-F468 AromaticContact CZ-CE1 3.75Å; F220-F468 HydrophobicContact CZ-CE1 3.75Å; Y223-F468 AromaticContact CD2-CD1 3.89Å; Y223-F468 HydrophobicContact CD2-CD1 3.89Å; Y223-F468 AromaticContact CD2-CE1 3.94Å; Y223-F468 HydrophobicContact CD2-CE1 3.94Å; Y223-F468 HydrophobicContact CE2-CE1 4.48Å; V224-F468 HydrophobicContact CG2-CB 3.74Å; F227-F468 AromaticContact CE2-CD2 3.73Å; F227-F468 HydrophobicContact CE2-CD2 3.73Å; F227-F468 HydrophobicContact CE2-CE2 4.13Å; F227-F468 HydrophobicContact CE2-CG 4.23Å; F227-F468 HydrophobicContact CZ-CD2 4.5Å; F227-F468 HydrophobicContact CZ-CE2 4.48Å; L464-F468 HydrophobicContact CD2-CD2 4.47Å; L464-F468 HydrophobicContact CD2-CE2 4Å; L464-F468 WeakPolarHBondContact O-CD2 3.49Å; L464-F468 PolarHBondContact O-N 3.43Å; T466-F468 PolarHBondContact O-N 2.83Å; F468-I470 PolarHBondContact O-N 3.12Å; F468-V483 HydrophobicContact CD1-CG1 4.08Å; F468-V483 HydrophobicContact CD2-CG1 4.37Å; F468-V483 HydrophobicContact CE1-CG1 3.83Å; F468-V483 HydrophobicContact CE2-CG1 4.14Å; F468-V483 HydrophobicContact CG-CG1 4.35Å; F468-V483 HydrophobicContact CZ-CG1 3.85Å; F468-F487 HydrophobicContact CE2-CD2 4.04Å; F468-F487 HydrophobicContact CZ-CB 4.27Å; F468-F487 HydrophobicContact CZ-CD2 4.13Å; F468-F487 HydrophobicContact CZ-CG 4.24Å
469	T	81.9	Confident	76.8	Confident	92 Å²	92	82.7 Å²	82.7	56%	0.564	43%	0.428	S	S	*	.			trans	-88.5	79	172.8	-55.4	0	0	0	0	110.3	I465 T466	I465-T469 PolarHBondContact O-N 3.17Å; I465-T469 PolarHBondContact O-OG1 3.29Å; T466-T469 PolarHBondContact O-N 3.07Å
470	I	66.9	Low	76.5	Confident	37 Å²	37	79.1 Å²	79.1	19%	0.19	41%	0.412	C	S	.	.			trans	-82.5	142.8	178.5	-65.4	-172.5	0	0	0	111.6	F220 F468 E479 A480 V483	F220-I470 HydrophobicContact CD2-CD1 3.94Å; F220-I470 HydrophobicContact CD2-CG1 4.19Å; F220-I470 HydrophobicContact CE2-CD1 3.58Å; F220-I470 HydrophobicContact CE2-CG1 4.26Å; F468-I470 PolarHBondContact O-N 3.12Å; I470-E479 HydrophobicContact CD1-CB 4.41Å; I470-E479 HydrophobicContact CD1-CG 4.02Å; I470-A480 HydrophobicContact CD1-CB 4.35Å; I470-V483 HydrophobicContact CD1-CG2 4.28Å
471	G	60.3	Low	76.3	Confident	41 Å²	41	78.2 Å²	78.2	42%	0.423	40%	0.402	S	S	.	.			trans	-77.7	174.1	178.4	0	0	0	0	0	115.1	E473	G471-E473 PolarHBondContact O-N 3.45Å
472	P	52.5	Low	76	Confident	116 Å²	116	81.5 Å²	81.5	75%	0.753	43%	0.425	S	S	*	.	S	Bend	trans	-79.9	-2.4	-170.8	30	-35.1	0	0	0	116.7	K476	P472-K476 VanDerWaalsContact C-CE 3.47Å; P472-K476 VanDerWaalsContact O-CE 3.25Å; P472-K476 WeakPolarHBondContact O-CE 3.41Å; P472-K476 PolarHBondContact O-NZ 2.91Å
473	E	57.7	Low	75.8	Confident	167 Å²	167	79.3 Å²	79.3	78%	0.78	41%	0.409	S	S	*	.	S	Bend	trans	-93.2	179.5	-162.6	-66.9	-160.6	140.9	0	0	117.2	G471 D475 K476	G471-E473 PolarHBondContact O-N 3.45Å; E473-D475 PolarHBondContact O-N 3.3Å; E473-D475 VanDerWaalsContact O-N 3.1Å; E473-K476 WeakPolarHBondContact O-CG 3.35Å
474	K	51.3	Low	75.6	Confident	203 Å²	203	74.8 Å²	74.8	88%	0.883	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.3	85.8	-170.1	-69.6	178.8	173.2	179.7	0	113.5
475	D	65.9	Low	75.5	Confident	131 Å²	131	77.3 Å²	77.3	70%	0.701	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	172.3	42.3	138.2	-89	-13.2	0	0	0	111.2	E473 I477 Q478 E479	E473-D475 PolarHBondContact O-N 3.3Å; E473-D475 VanDerWaalsContact O-N 3.1Å; D475-I477 PolarHBondContact O-N 3.4Å; D475-Q478 PolarHBondContact O-N 2.76Å; D475-E479 PolarHBondContact O-N 2.9Å
476	K	71.6	Confident	75.3	Confident	93 Å²	93	78.9 Å²	78.9	40%	0.404	41%	0.411	S	S	.	.	H	α-helix	trans	-51.7	-36.3	-169.4	-62.6	-174.5	178.3	177	0	114.5	P472 E473 A480	P472-K476 VanDerWaalsContact C-CE 3.47Å; P472-K476 VanDerWaalsContact O-CE 3.25Å; P472-K476 WeakPolarHBondContact O-CE 3.41Å; P472-K476 PolarHBondContact O-NZ 2.91Å; E473-K476 WeakPolarHBondContact O-CG 3.35Å; K476-A480 WeakPolarHBondContact O-CB 3.48Å; K476-A480 PolarHBondContact O-N 3.46Å
477	I	75.9	Confident	75.2	Confident	47 Å²	47	74.1 Å²	74.1	24%	0.241	38%	0.382	C	S	.	.	H	α-helix	trans	-65.4	-44.9	-179.1	-57.3	177	0	0	0	110.8	D210 I213 E214 D475 A480 R481	D210-I477 HydrophobicContact CB-CD1 4.3Å; D210-I477 HydrophobicContact CB-CG2 4.35Å; D210-I477 WeakPolarHBondContact OD1-CG2 3.39Å; I213-I477 HydrophobicContact CB-CG2 4.33Å; I213-I477 HydrophobicContact CG2-CG2 3.99Å; E214-I477 HydrophobicContact CG-CD1 3.92Å; E214-I477 HydrophobicContact CG-CG1 4.06Å; D475-I477 PolarHBondContact O-N 3.4Å; I477-A480 PolarHBondContact O-N 2.89Å; I477-R481 WeakPolarHBondContact O-CG 3.5Å; I477-R481 PolarHBondContact O-N 3.17Å
478	Q	79.3	Confident	74.9	Confident	120 Å²	120	70.2 Å²	70.2	56%	0.561	37%	0.371	S	S	*	.	H	α-helix	trans	-75.2	-33.7	-176.9	-173.5	61.9	10.1	0	0	112.3	D475 S482	D475-Q478 PolarHBondContact O-N 2.76Å; Q478-S482 PolarHBondContact O-N 3.2Å; Q478-S482 PolarHBondContact O-OG 3.48Å
479	E	80.1	Confident	74.6	Confident	102 Å²	102	75.4 Å²	75.4	48%	0.477	40%	0.402	S	S	.	.	H	α-helix	trans	-65.4	-45.9	170.6	-169.3	175	-175.3	0	0	110.9	I470 D475 R481 S482 V483	I470-E479 HydrophobicContact CD1-CB 4.41Å; I470-E479 HydrophobicContact CD1-CG 4.02Å; D475-E479 PolarHBondContact O-N 2.9Å; E479-R481 PolarHBondContact O-N 2.83Å; E479-S482 WeakPolarHBondContact O-CA 3.15Å; E479-S482 VanDerWaalsContact O-CB 3.31Å; E479-S482 WeakPolarHBondContact O-CB 3.35Å; E479-S482 PolarHBondContact O-N 3.02Å; E479-V483 PolarHBondContact O-N 3.5Å
480	A	81.8	Confident	74.5	Confident	0 Å²	0	76.9 Å²	76.9	0%	0	40%	0.403	C	S	.	.	H	α-helix	trans	-63.1	-41	176.5	0	0	0	0	0	113.1	I213 V217 F220 I470 K476 I477 S482 V483 I484	I213-A480 HydrophobicContact CG2-CB 3.62Å; V217-A480 HydrophobicContact CG2-CB 3.25Å; F220-A480 HydrophobicContact CE2-CB 4.25Å; F220-A480 HydrophobicContact CZ-CB 4.3Å; I470-A480 HydrophobicContact CD1-CB 4.35Å; K476-A480 WeakPolarHBondContact O-CB 3.48Å; K476-A480 PolarHBondContact O-N 3.46Å; I477-A480 PolarHBondContact O-N 2.89Å; A480-S482 PolarHBondContact O-N 2.97Å; A480-V483 PolarHBondContact O-N 2.7Å; A480-V483 VanDerWaalsContact O-N 3.16Å; A480-I484 WeakPolarHBondContact O-CB 3.24Å; A480-I484 VanDerWaalsContact O-CG1 3.25Å; A480-I484 WeakPolarHBondContact O-CG1 3.3Å; A480-I484 PolarHBondContact O-N 3.13Å
481	R	83.5	Confident	75.1	Confident	72 Å²	72	75.4 Å²	75.4	27%	0.272	40%	0.395	S	S	.	.	H	α-helix	trans	-50.9	-44	169.2	-79.2	179.5	179.7	-64.9	-6.7	111.2	P208 D210 I213 I477 E479 A485	P208-R481 VanDerWaalsContact O-CZ 3.3Å; P208-R481 PolarHBondContact O-NH1 3.19Å; P208-R481 PolarHBondContact O-NH2 3.31Å; D210-R481 IonicContact OD1-CZ 2.58Å; D210-R481 IonicContact OD1-NE 2.74Å; D210-R481 PolarHBondContact OD1-NE 3.25Å; D210-R481 IonicContact OD1-NH2 2.64Å; D210-R481 PolarHBondContact OD1-NH2 3.43Å; I213-R481 HydrophobicContact CD1-CB 4.38Å; I213-R481 HydrophobicContact CD1-CG 3.18Å; I477-R481 WeakPolarHBondContact O-CG 3.5Å; I477-R481 PolarHBondContact O-N 3.17Å; E479-R481 PolarHBondContact O-N 2.83Å; R481-A485 VanDerWaalsContact O-CB 3.3Å; R481-A485 WeakPolarHBondContact O-CB 3.4Å; R481-A485 PolarHBondContact O-N 3.35Å
482	S	83.1	Confident	75.6	Confident	69 Å²	69	75.6 Å²	75.6	48%	0.483	39%	0.393	S	S	.	.	H	α-helix	trans	-70.3	-38.7	-179.7	-54.7	0	0	0	0	112.7	Q478 E479 A480 W486	Q478-S482 PolarHBondContact O-N 3.2Å; Q478-S482 PolarHBondContact O-OG 3.48Å; E479-S482 WeakPolarHBondContact O-CA 3.15Å; E479-S482 VanDerWaalsContact O-CB 3.31Å; E479-S482 WeakPolarHBondContact O-CB 3.35Å; E479-S482 PolarHBondContact O-N 3.02Å; A480-S482 PolarHBondContact O-N 2.97Å; S482-W486 WeakPolarHBondContact O-CB 3.48Å; S482-W486 PolarHBondContact O-N 2.69Å
483	V	84.9	Confident	76.9	Confident	7 Å²	7	75.5 Å²	75.5	4%	0.042	39%	0.386	C	S	.	.	H	α-helix	trans	-66.3	-44.2	175	173	0	0	0	0	111.5	F220 R467 F468 I470 E479 A480 W486 F487	F220-V483 HydrophobicContact CE2-CG1 4.49Å; F220-V483 HydrophobicContact CZ-CG1 4.49Å; R467-V483 WeakPolarHBondContact O-CG2 3.41Å; F468-V483 HydrophobicContact CD1-CG1 4.08Å; F468-V483 HydrophobicContact CD2-CG1 4.37Å; F468-V483 HydrophobicContact CE1-CG1 3.83Å; F468-V483 HydrophobicContact CE2-CG1 4.14Å; F468-V483 HydrophobicContact CG-CG1 4.35Å; F468-V483 HydrophobicContact CZ-CG1 3.85Å; I470-V483 HydrophobicContact CD1-CG2 4.28Å; E479-V483 PolarHBondContact O-N 3.5Å; A480-V483 PolarHBondContact O-N 2.7Å; A480-V483 VanDerWaalsContact O-N 3.16Å; V483-W486 PolarHBondContact O-N 3.3Å; V483-F487 VanDerWaalsContact O-CB 3.3Å; V483-F487 WeakPolarHBondContact O-CB 3.29Å; V483-F487 PolarHBondContact O-N 3.05Å
484	I	82.4	Confident	78	Confident	9 Å²	9	70.8 Å²	70.8	5%	0.046	36%	0.361	C	S	.	.	H	α-helix	trans	-64.3	-46.1	177.6	-64.5	163.7	0	0	0	110.6	L203 I213 T216 A480 W486 F487 N488	L203-I484 HydrophobicContact CD2-CG1 3.89Å; L203-I484 WeakPolarHBondContact O-CG2 3.42Å; I213-I484 HydrophobicContact CG1-CD1 4.31Å; T216-I484 HydrophobicContact CG2-CD1 3.95Å; A480-I484 WeakPolarHBondContact O-CB 3.24Å; A480-I484 VanDerWaalsContact O-CG1 3.25Å; A480-I484 WeakPolarHBondContact O-CG1 3.3Å; A480-I484 PolarHBondContact O-N 3.13Å; I484-W486 PolarHBondContact O-N 3.37Å; I484-F487 WeakPolarHBondContact O-CB 3.35Å; I484-F487 PolarHBondContact O-N 3Å; I484-F487 VanDerWaalsContact O-N 3.16Å; I484-N488 PolarHBondContact O-N 2.62Å
485	A	82.6	Confident	79.1	Confident	56 Å²	56	62 Å²	62	46%	0.463	32%	0.324	S	S	.	.	H	α-helix	trans	-61.9	-44.4	177.4	0	0	0	0	0	112.3	R481 F487 V489	R481-A485 VanDerWaalsContact O-CB 3.3Å; R481-A485 WeakPolarHBondContact O-CB 3.4Å; R481-A485 PolarHBondContact O-N 3.35Å; A485-F487 VanDerWaalsContact C-N 3.32Å; A485-F487 PolarHBondContact O-N 2.62Å; A485-V489 WeakPolarHBondContact O-CG2 3.47Å; A485-V489 PolarHBondContact O-N 3.03Å
486	W	85.6	Confident	79.9	Confident	63 Å²	63	62.2 Å²	62.2	24%	0.239	32%	0.32	C	S	.	.	H	α-helix	trans	-60.4	-42.7	172.6	168.1	85.2	0	0	0	111.8	L463 L464 R467 S482 V483 I484 N488 V489 Q490	L463-W486 HydrophobicContact CD2-CH2 4.37Å; L463-W486 HydrophobicContact CD2-CZ2 3.78Å; L463-W486 HydrophobicContact CG-CH2 4.08Å; L463-W486 HydrophobicContact CG-CZ2 3.87Å; L464-W486 HydrophobicContact CD2-CH2 3.84Å; L464-W486 HydrophobicContact CD2-CZ3 3.81Å; L464-W486 HydrophobicContact CG-CH2 4.37Å; R467-W486 HydrophobicContact CB-CE3 4.41Å; R467-W486 HydrophobicContact CB-CH2 4.5Å; R467-W486 HydrophobicContact CB-CZ3 4.02Å; R467-W486 HydrophobicContact CG-CE3 4.34Å; R467-W486 HydrophobicContact CG-CH2 4.21Å; R467-W486 HydrophobicContact CG-CZ3 4.08Å; S482-W486 WeakPolarHBondContact O-CB 3.48Å; S482-W486 PolarHBondContact O-N 2.69Å; V483-W486 PolarHBondContact O-N 3.3Å; I484-W486 PolarHBondContact O-N 3.37Å; W486-N488 PolarHBondContact O-N 2.85Å; W486-V489 PolarHBondContact O-N 3.29Å; W486-Q490 HydrophobicContact CG-CG 4.49Å; W486-Q490 HydrophobicContact CZ2-CB 4.49Å; W486-Q490 WeakPolarHBondContact O-CB 3.12Å; W486-Q490 WeakPolarHBondContact O-CG 3.45Å; W486-Q490 PolarHBondContact O-N 3.34Å
487	F	83.9	Confident	80.6	Confident	0 Å²	0	59.1 Å²	59.1	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-59.2	-50.4	-179.6	176.2	-93.8	0	0	0	111.2	F200 L203 L464 F468 V483 I484 A485 V489 Q490 N491 I495	F200-F487 HydrophobicContact CB-CZ 4.19Å; F200-F487 HydrophobicContact CD1-CE1 4.21Å; F200-F487 AromaticContact CD1-CE2 3.69Å; F200-F487 HydrophobicContact CD1-CE2 3.69Å; F200-F487 AromaticContact CD1-CZ 3.21Å; F200-F487 HydrophobicContact CD1-CZ 3.21Å; F200-F487 AromaticContact CE1-CE2 3.61Å; F200-F487 HydrophobicContact CE1-CE2 3.61Å; F200-F487 AromaticContact CE1-CZ 3.61Å; F200-F487 HydrophobicContact CE1-CZ 3.61Å; F200-F487 AromaticContact CG-CZ 3.82Å; F200-F487 HydrophobicContact CG-CZ 3.82Å; L203-F487 HydrophobicContact CB-CD1 3.63Å; L203-F487 HydrophobicContact CB-CE1 3.82Å; L203-F487 HydrophobicContact CD1-CD1 3.78Å; L203-F487 HydrophobicContact CD1-CD2 4.31Å; L203-F487 HydrophobicContact CD1-CE1 3.85Å; L203-F487 HydrophobicContact CD1-CE2 4.37Å; L203-F487 HydrophobicContact CD1-CG 4.05Å; L203-F487 HydrophobicContact CD1-CZ 4.18Å; L203-F487 HydrophobicContact CG-CD1 4.32Å; L464-F487 HydrophobicContact CD2-CD2 3.69Å; L464-F487 HydrophobicContact CD2-CE2 3.87Å; F468-F487 HydrophobicContact CE2-CD2 4.04Å; F468-F487 HydrophobicContact CZ-CB 4.27Å; F468-F487 HydrophobicContact CZ-CD2 4.13Å; F468-F487 HydrophobicContact CZ-CG 4.24Å; V483-F487 VanDerWaalsContact O-CB 3.3Å; V483-F487 WeakPolarHBondContact O-CB 3.29Å; V483-F487 PolarHBondContact O-N 3.05Å; I484-F487 WeakPolarHBondContact O-CB 3.35Å; I484-F487 PolarHBondContact O-N 3Å; I484-F487 VanDerWaalsContact O-N 3.16Å; A485-F487 VanDerWaalsContact C-N 3.32Å; A485-F487 PolarHBondContact O-N 2.62Å; F487-V489 VanDerWaalsContact C-N 3.34Å; F487-V489 PolarHBondContact O-N 2.94Å; F487-Q490 PolarHBondContact O-N 3.44Å; F487-N491 HydrophobicContact CD2-CB 3.88Å; F487-N491 WeakPolarHBondContact CD2-ND2 3.27Å; F487-N491 HydrophobicContact CE2-CB 3.51Å; F487-N491 HydrophobicContact CZ-CB 3.87Å; F487-N491 WeakPolarHBondContact O-CB 3.48Å; F487-N491 PolarHBondContact O-N 3.12Å; F487-N491 PolarHBondContact O-ND2 3.21Å; F487-N491 VanDerWaalsContact O-ND2 3.15Å; F487-I495 HydrophobicContact CE1-CD1 3.91Å; F487-I495 HydrophobicContact CZ-CD1 4.07Å; F487-I495 HydrophobicContact CZ-CG1 4.22Å
488	N	77.1	Confident	81	Confident	48 Å²	48	56.9 Å²	56.9	26%	0.257	30%	0.296	S	S	.	.	H	α-helix	trans	-62.8	-36.1	-177.7	-72.5	-19.3	0	0	0	113.2	L203 V204 I484 W486	L203-N488 PolarHBondContact O-ND2 3.41Å; L203-N488 PolarHBondContact O-OD1 2.84Å; L203-N488 VanDerWaalsContact O-OD1 3.13Å; V204-N488 WeakPolarHBondContact CG2-OD1 3.24Å; I484-N488 PolarHBondContact O-N 2.62Å; W486-N488 PolarHBondContact O-N 2.85Å
489	V	78.9	Confident	81.2	Confident	111 Å²	111	58.5 Å²	58.5	67%	0.673	30%	0.298	S	S	*	.	H	α-helix	trans	-74.1	-42.3	177	177.1	0	0	0	0	112.1	A485 W486 F487	A485-V489 WeakPolarHBondContact O-CG2 3.47Å; A485-V489 PolarHBondContact O-N 3.03Å; W486-V489 PolarHBondContact O-N 3.29Å; F487-V489 VanDerWaalsContact C-N 3.34Å; F487-V489 PolarHBondContact O-N 2.94Å
490	Q	80.3	Confident	81.6	Confident	122 Å²	122	58.3 Å²	58.3	57%	0.57	30%	0.295	S	S	*	.	H	α-helix	trans	-95.2	-20.2	-166.5	-62.5	-62.9	-32.6	0	0	114.7	W486 F487	W486-Q490 HydrophobicContact CG-CG 4.49Å; W486-Q490 HydrophobicContact CZ2-CB 4.49Å; W486-Q490 WeakPolarHBondContact O-CB 3.12Å; W486-Q490 WeakPolarHBondContact O-CG 3.45Å; W486-Q490 PolarHBondContact O-N 3.34Å; F487-Q490 PolarHBondContact O-N 3.44Å
491	N	77.6	Confident	81.9	Confident	7 Å²	7	58.5 Å²	58.5	4%	0.037	30%	0.296	C	S	.	.			trans	-112.9	-1.2	-167.7	-62.4	-82.8	0	0	0	115.2	F487 N493 R494 I495	F487-N491 HydrophobicContact CD2-CB 3.88Å; F487-N491 WeakPolarHBondContact CD2-ND2 3.27Å; F487-N491 HydrophobicContact CE2-CB 3.51Å; F487-N491 HydrophobicContact CZ-CB 3.87Å; F487-N491 WeakPolarHBondContact O-CB 3.48Å; F487-N491 PolarHBondContact O-N 3.12Å; F487-N491 PolarHBondContact O-ND2 3.21Å; F487-N491 VanDerWaalsContact O-ND2 3.15Å; N491-N493 PolarHBondContact O-N 2.91Å; N491-R494 WeakPolarHBondContact O-CA 3.24Å; N491-R494 WeakPolarHBondContact O-CB 3.28Å; N491-R494 PolarHBondContact O-N 3.09Å; N491-I495 WeakPolarHBondContact O-CG1 3.49Å; N491-I495 PolarHBondContact O-N 3.08Å; N491-I495 VanDerWaalsContact O-N 3.12Å
492	A	72.5	Confident	82.1	Confident	44 Å²	44	55.6 Å²	55.6	36%	0.364	29%	0.286	S	S	.	.	H	α-helix	trans	-48.1	-40.6	-177.8	0	0	0	0	0	114.4	I495 Q496	A492-I495 WeakPolarHBondContact O-CB 3.45Å; A492-I495 PolarHBondContact O-N 2.96Å; A492-Q496 PolarHBondContact O-N 3.13Å
493	N	78.8	Confident	82.4	Confident	114 Å²	114	54.6 Å²	54.6	61%	0.61	28%	0.279	S	S	*	.	H	α-helix	trans	-65.7	-37.6	175.2	-71.2	-26.4	0	0	0	113	N491 I495 Q496 N497	N491-N493 PolarHBondContact O-N 2.91Å; N493-I495 VanDerWaalsContact C-N 3.31Å; N493-I495 PolarHBondContact O-N 3.01Å; N493-Q496 PolarHBondContact O-N 2.93Å; N493-N497 VanDerWaalsContact O-CB 3.31Å; N493-N497 WeakPolarHBondContact O-CB 3.36Å; N493-N497 PolarHBondContact O-N 3.43Å; N493-N497 PolarHBondContact O-ND2 2.99Å; N493-N497 VanDerWaalsContact O-ND2 3.16Å
494	R	81.8	Confident	82.7	Confident	68 Å²	68	55.1 Å²	55.1	26%	0.257	28%	0.282	S	S	.	.	H	α-helix	trans	-65.9	-35.1	175.4	-61.9	-173	-178.6	-138.1	1.2	111.1	Q457 F458 D460 N491 N497 A498	Q457-R494 PolarHBondContact O-NH1 2.89Å; F458-R494 HydrophobicContact CE1-CB 4.32Å; D460-R494 PolarHBondContact O-NH1 3.31Å; N491-R494 WeakPolarHBondContact O-CA 3.24Å; N491-R494 WeakPolarHBondContact O-CB 3.28Å; N491-R494 PolarHBondContact O-N 3.09Å; R494-N497 PolarHBondContact O-N 3.19Å; R494-A498 WeakPolarHBondContact O-CB 3.43Å; R494-A498 PolarHBondContact O-N 2.85Å
495	I	74.3	Confident	83	Confident	20 Å²	20	54.9 Å²	54.9	10%	0.103	28%	0.28	C	S	.	.	H	α-helix	trans	-61.6	-51.1	174.9	-49.6	-178	0	0	0	111	H197 F200 V204 F487 N491 A492 N493 N497 A498 R499	H197-I495 VanDerWaalsContact CE1-CG2 3.47Å; H197-I495 WeakPolarHBondContact CE1-CG2 3.32Å; H197-I495 PolarHBondContact CE1-O 3.49Å; F200-I495 HydrophobicContact CB-CB 4.33Å; F200-I495 HydrophobicContact CB-CD1 4.05Å; F200-I495 HydrophobicContact CB-CG1 3.82Å; F200-I495 HydrophobicContact CB-CG2 3.88Å; F200-I495 HydrophobicContact CD2-CB 4.08Å; F200-I495 HydrophobicContact CD2-CG1 3.81Å; F200-I495 HydrophobicContact CD2-CG2 4.22Å; F200-I495 HydrophobicContact CE2-CG1 4.47Å; F200-I495 HydrophobicContact CG-CG1 3.91Å; V204-I495 HydrophobicContact CG2-CD1 3.87Å; F487-I495 HydrophobicContact CE1-CD1 3.91Å; F487-I495 HydrophobicContact CZ-CD1 4.07Å; F487-I495 HydrophobicContact CZ-CG1 4.22Å; N491-I495 WeakPolarHBondContact O-CG1 3.49Å; N491-I495 PolarHBondContact O-N 3.08Å; N491-I495 VanDerWaalsContact O-N 3.12Å; A492-I495 WeakPolarHBondContact O-CB 3.45Å; A492-I495 PolarHBondContact O-N 2.96Å; N493-I495 VanDerWaalsContact C-N 3.31Å; N493-I495 PolarHBondContact O-N 3.01Å; I495-N497 PolarHBondContact O-N 3.24Å; I495-A498 PolarHBondContact O-N 3.43Å; I495-R499 PolarHBondContact O-N 3.38Å
496	Q	81.7	Confident	83.2	Confident	135 Å²	135	55.6 Å²	55.6	63%	0.631	27%	0.274	S	S	*	.	H	α-helix	trans	-63.2	-42.5	178.4	-66.2	-175.3	6.3	0	0	111.5	A492 N493 A498 K500	A492-Q496 PolarHBondContact O-N 3.13Å; N493-Q496 PolarHBondContact O-N 2.93Å; Q496-A498 VanDerWaalsContact C-N 3.33Å; Q496-A498 PolarHBondContact O-N 3.47Å; Q496-K500 WeakPolarHBondContact O-CB 3.46Å; Q496-K500 PolarHBondContact O-N 3.06Å
497	N	86.9	Confident	83.4	Confident	27 Å²	27	57.6 Å²	57.6	14%	0.144	28%	0.284	C	S	.	.	H	α-helix	trans	-67.1	-29.4	179.1	-72.9	-26.8	0	0	0	113.4	Y454 Q457 F458 N493 R494 I495 F501	Y454-N497 HydrophobicContact CD2-CB 3.97Å; Y454-N497 HydrophobicContact CG-CB 4.36Å; Q457-N497 PolarHBondContact NE2-ND2 3.34Å; Q457-N497 PolarHBondContact OE1-ND2 3.4Å; F458-N497 HydrophobicContact CE2-CB 4.38Å; F458-N497 HydrophobicContact CZ-CB 4.05Å; N493-N497 VanDerWaalsContact O-CB 3.31Å; N493-N497 WeakPolarHBondContact O-CB 3.36Å; N493-N497 PolarHBondContact O-N 3.43Å; N493-N497 PolarHBondContact O-ND2 2.99Å; N493-N497 VanDerWaalsContact O-ND2 3.16Å; R494-N497 PolarHBondContact O-N 3.19Å; I495-N497 PolarHBondContact O-N 3.24Å; N497-F501 WeakPolarHBondContact O-CB 3.45Å; N497-F501 PolarHBondContact O-N 2.93Å
498	A	83.5	Confident	83.7	Confident	0 Å²	0	57.7 Å²	57.7	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-69	-51	176.1	0	0	0	0	0	111.3	M196 F200 F458 R494 I495 Q496 K500 F501 V502	M196-A498 HydrophobicContact CE-CB 3.54Å; F200-A498 HydrophobicContact CD2-CB 4.46Å; F200-A498 HydrophobicContact CE2-CB 4.24Å; F458-A498 HydrophobicContact CE1-CB 4.27Å; F458-A498 HydrophobicContact CZ-CB 3.91Å; R494-A498 WeakPolarHBondContact O-CB 3.43Å; R494-A498 PolarHBondContact O-N 2.85Å; I495-A498 PolarHBondContact O-N 3.43Å; Q496-A498 VanDerWaalsContact C-N 3.33Å; Q496-A498 PolarHBondContact O-N 3.47Å; A498-K500 VanDerWaalsContact C-N 3.3Å; A498-K500 PolarHBondContact O-N 3.26Å; A498-F501 WeakPolarHBondContact O-CB 3.11Å; A498-F501 PolarHBondContact O-N 3.22Å; A498-F501 VanDerWaalsContact O-N 3.15Å; A498-V502 PolarHBondContact O-N 3.48Å
499	R	83.8	Confident	84.1	Confident	155 Å²	155	59 Å²	59	59%	0.585	29%	0.29	S	S	*	.	H	α-helix	trans	-61.8	-39.2	174.2	-177.4	-178.4	-79.9	-169.1	-6.1	111.4	H197 I495 F501 V502 S503	H197-R499 PolarHBondContact NE2-NE 3.37Å; H197-R499 PolarHBondContact NE2-NH2 3.08Å; I495-R499 PolarHBondContact O-N 3.38Å; R499-F501 VanDerWaalsContact C-N 3.35Å; R499-V502 PolarHBondContact O-N 2.94Å; R499-S503 PolarHBondContact O-N 3.13Å
500	K	89.1	Confident	84.6	Confident	98 Å²	98	58.7 Å²	58.7	43%	0.426	29%	0.288	S	S	.	.	H	α-helix	trans	-63.7	-38.7	174.8	-172.8	179.1	177.8	-178.7	0	111.9	Y454 Q496 A498 S503 D504	Y454-K500 HydrophobicContact CD1-CD 4.47Å; Y454-K500 HydrophobicContact CE1-CD 4.01Å; Y454-K500 HydrophobicContact CE1-CG 4.34Å; Y454-K500 PolarHBondContact OH-O 3.31Å; Q496-K500 WeakPolarHBondContact O-CB 3.46Å; Q496-K500 PolarHBondContact O-N 3.06Å; A498-K500 VanDerWaalsContact C-N 3.3Å; A498-K500 PolarHBondContact O-N 3.26Å; K500-S503 PolarHBondContact O-N 2.71Å; K500-D504 VanDerWaalsContact CE-OD2 3.25Å; K500-D504 WeakPolarHBondContact CE-OD2 3.39Å; K500-D504 VanDerWaalsContact O-CB 3.29Å; K500-D504 WeakPolarHBondContact O-CB 3.05Å; K500-D504 PolarHBondContact O-N 2.91Å
501	F	88.2	Confident	85	Confident	3 Å²	3	54.4 Å²	54.4	1%	0.013	27%	0.271	C	S	.	.	H	α-helix	trans	-57.2	-53	174.6	-169.7	-88.1	0	0	0	111.5	W186 M189 L193 F237 F452 Y454 I455 N497 A498 R499 S503 D504 F505	W186-F501 HydrophobicContact CZ3-CE1 4.18Å; M189-F501 HydrophobicContact CE-CE1 3.94Å; M189-F501 HydrophobicContact CE-CZ 4.01Å; M189-F501 HydrophobicContact SD-CD1 4.48Å; M189-F501 HydrophobicContact SD-CE1 3.57Å; M189-F501 VanDerWaalsContact SD-CE1 3.57Å; M189-F501 HydrophobicContact SD-CZ 4.07Å; L193-F501 HydrophobicContact CD1-CD1 3.28Å; L193-F501 HydrophobicContact CD1-CE1 3.7Å; L193-F501 HydrophobicContact CD1-CG 4.17Å; F237-F501 HydrophobicContact CB-CZ 4.18Å; F237-F501 HydrophobicContact CD1-CE1 4.23Å; F237-F501 AromaticContact CD1-CZ 3.77Å; F237-F501 HydrophobicContact CD1-CZ 3.77Å; F237-F501 HydrophobicContact CG-CZ 4.09Å; F452-F501 AromaticContact CD1-CD2 4Å; F452-F501 HydrophobicContact CD1-CD2 4Å; F452-F501 AromaticContact CD1-CE2 3.85Å; F452-F501 HydrophobicContact CD1-CE2 3.85Å; F452-F501 HydrophobicContact CE1-CE2 4.44Å; Y454-F501 HydrophobicContact CE2-CB 3.85Å; Y454-F501 AromaticContact CE2-CD2 3.93Å; Y454-F501 HydrophobicContact CE2-CD2 3.93Å; Y454-F501 HydrophobicContact CE2-CG 4.39Å; I455-F501 HydrophobicContact CB-CD2 4.35Å; I455-F501 HydrophobicContact CB-CE2 4.11Å; I455-F501 HydrophobicContact CD1-CD2 4.45Å; I455-F501 HydrophobicContact CD1-CE2 3.54Å; I455-F501 HydrophobicContact CD1-CZ 3.96Å; I455-F501 HydrophobicContact CG1-CD2 4.09Å; I455-F501 HydrophobicContact CG1-CE2 3.65Å; I455-F501 HydrophobicContact CG1-CZ 4.42Å; N497-F501 WeakPolarHBondContact O-CB 3.45Å; N497-F501 PolarHBondContact O-N 2.93Å; A498-F501 WeakPolarHBondContact O-CB 3.11Å; A498-F501 PolarHBondContact O-N 3.22Å; A498-F501 VanDerWaalsContact O-N 3.15Å; R499-F501 VanDerWaalsContact C-N 3.35Å; F501-S503 PolarHBondContact O-N 3.32Å; F501-D504 PolarHBondContact O-N 3Å; F501-F505 HydrophobicContact CE1-CB 4.4Å; F501-F505 VanDerWaalsContact O-CB 3.24Å; F501-F505 WeakPolarHBondContact O-CB 3.48Å; F501-F505 PolarHBondContact O-N 2.96Å
502	V	86.5	Confident	85.5	Confident	12 Å²	12	54.7 Å²	54.7	7%	0.073	27%	0.273	C	S	.	.	H	α-helix	trans	-58.9	-48.8	179.7	179.8	0	0	0	0	110.4	W186 L193 A498 R499 D504 F505 E506	W186-V502 HydrophobicContact CH2-CG1 4.37Å; L193-V502 HydrophobicContact CB-CG2 3.82Å; L193-V502 HydrophobicContact CD1-CG2 4.11Å; A498-V502 PolarHBondContact O-N 3.48Å; R499-V502 PolarHBondContact O-N 2.94Å; V502-D504 PolarHBondContact O-N 3.07Å; V502-F505 PolarHBondContact O-N 3.35Å; V502-E506 HydrophobicContact CG1-CG 4.49Å; V502-E506 WeakPolarHBondContact O-CB 3.3Å; V502-E506 WeakPolarHBondContact O-CG 3.32Å; V502-E506 PolarHBondContact O-N 2.93Å
503	S	90.1	Very high	86.3	Confident	48 Å²	48	57.3 Å²	57.3	34%	0.336	28%	0.284	S	S	.	.	H	α-helix	trans	-63.6	-43.3	-179.9	-174.7	0	0	0	0	113.9	R499 K500 F501 K507	R499-S503 PolarHBondContact O-N 3.13Å; K500-S503 PolarHBondContact O-N 2.71Å; F501-S503 PolarHBondContact O-N 3.32Å; S503-K507 WeakPolarHBondContact O-CE 3.44Å; S503-K507 VanDerWaalsContact O-CG 3.27Å; S503-K507 WeakPolarHBondContact O-CG 3.12Å; S503-K507 PolarHBondContact O-N 3.48Å; S503-K507 VanDerWaalsContact OG-CE 3.28Å; S503-K507 WeakPolarHBondContact OG-CE 3.47Å; S503-K507 PolarHBondContact OG-NZ 3.07Å
504	D	91.4	Very high	86.8	Confident	17 Å²	17	58.9 Å²	58.9	9%	0.091	29%	0.286	C	S	.	.	H	α-helix	trans	-72.2	-31.9	179.3	-75.2	-3.7	0	0	0	111.5	S450 F452 Y454 K500 F501 V502 K507 L508	S450-D504 VanDerWaalsContact CB-OD2 3.23Å; S450-D504 WeakPolarHBondContact CB-OD2 3.49Å; S450-D504 PolarHBondContact OG-OD2 2.6Å; F452-D504 HydrophobicContact CE1-CB 3.8Å; F452-D504 HydrophobicContact CZ-CB 4.04Å; Y454-D504 WeakPolarHBondContact OH-CB 3.45Å; Y454-D504 PolarHBondContact OH-OD2 3.15Å; Y454-D504 VanDerWaalsContact OH-OD2 3.04Å; K500-D504 VanDerWaalsContact CE-OD2 3.25Å; K500-D504 WeakPolarHBondContact CE-OD2 3.39Å; K500-D504 VanDerWaalsContact O-CB 3.29Å; K500-D504 WeakPolarHBondContact O-CB 3.05Å; K500-D504 PolarHBondContact O-N 2.91Å; F501-D504 PolarHBondContact O-N 3Å; V502-D504 PolarHBondContact O-N 3.07Å; D504-K507 IonicContact OD1-NZ 3.39Å; D504-K507 PolarHBondContact OD1-NZ 3.2Å; D504-L508 WeakPolarHBondContact O-CB 3.44Å; D504-L508 PolarHBondContact O-N 3.45Å
505	F	87.9	Confident	87.3	Confident	4 Å²	4	55.8 Å²	55.8	2%	0.018	27%	0.274	C	S	.	.	H	α-helix	trans	-71.9	-39	174.2	-170.7	-84.2	0	0	0	112.2	F178 H182 W186 F237 F452 F501 V502 L508 Q509	F178-F505 HydrophobicContact CD2-CE2 4.15Å; F178-F505 HydrophobicContact CD2-CZ 4.35Å; F178-F505 HydrophobicContact CE1-CZ 4.42Å; F178-F505 HydrophobicContact CE2-CD2 4.09Å; F178-F505 HydrophobicContact CE2-CE1 4.13Å; F178-F505 AromaticContact CE2-CE2 3.34Å; F178-F505 HydrophobicContact CE2-CE2 3.34Å; F178-F505 AromaticContact CE2-CZ 3.38Å; F178-F505 HydrophobicContact CE2-CZ 3.38Å; F178-F505 AromaticContact CZ-CE1 3.84Å; F178-F505 HydrophobicContact CZ-CE1 3.84Å; F178-F505 AromaticContact CZ-CE2 3.91Å; F178-F505 HydrophobicContact CZ-CE2 3.91Å; F178-F505 AromaticContact CZ-CZ 3.43Å; F178-F505 HydrophobicContact CZ-CZ 3.43Å; F178-F505 VanDerWaalsContact CZ-CZ 3.43Å; H182-F505 AromaticContact CD2-CE1 3.65Å; H182-F505 AromaticContact CD2-CZ 3.9Å; W186-F505 HydrophobicContact CB-CE1 4.35Å; W186-F505 AromaticContact CD2-CD1 3.56Å; W186-F505 HydrophobicContact CD2-CD1 3.56Å; W186-F505 AromaticContact CD2-CE1 3.22Å; W186-F505 HydrophobicContact CD2-CE1 3.22Å; W186-F505 HydrophobicContact CD2-CZ 4.06Å; W186-F505 AromaticContact CE2-CD1 3.42Å; W186-F505 VanDerWaalsContact CE2-CD1 3.42Å; W186-F505 AromaticContact CE2-CE1 3.47Å; W186-F505 VanDerWaalsContact CE2-CE1 3.47Å; W186-F505 AromaticContact CE3-CD1 3.55Å; W186-F505 HydrophobicContact CE3-CD1 3.55Å; W186-F505 AromaticContact CE3-CE1 3.45Å; W186-F505 HydrophobicContact CE3-CE1 3.45Å; W186-F505 VanDerWaalsContact CE3-CE1 3.45Å; W186-F505 HydrophobicContact CE3-CG 4.15Å; W186-F505 HydrophobicContact CE3-CZ 4.01Å; W186-F505 HydrophobicContact CG-CD1 4.4Å; W186-F505 AromaticContact CG-CE1 3.65Å; W186-F505 HydrophobicContact CG-CE1 3.65Å; W186-F505 HydrophobicContact CG-CZ 4.33Å; W186-F505 HydrophobicContact CH2-CB 3.88Å; W186-F505 AromaticContact CH2-CD1 3.36Å; W186-F505 HydrophobicContact CH2-CD1 3.36Å; W186-F505 HydrophobicContact CH2-CE1 4.11Å; W186-F505 AromaticContact CH2-CG 3.8Å; W186-F505 HydrophobicContact CH2-CG 3.8Å; W186-F505 HydrophobicContact CZ2-CB 4.46Å; W186-F505 AromaticContact CZ2-CD1 3.34Å; W186-F505 HydrophobicContact CZ2-CD1 3.34Å; W186-F505 AromaticContact CZ2-CE1 3.92Å; W186-F505 HydrophobicContact CZ2-CE1 3.92Å; W186-F505 HydrophobicContact CZ2-CG 4.22Å; W186-F505 HydrophobicContact CZ3-CB 4.18Å; W186-F505 AromaticContact CZ3-CD1 3.46Å; W186-F505 HydrophobicContact CZ3-CD1 3.46Å; W186-F505 VanDerWaalsContact CZ3-CD1 3.46Å; W186-F505 HydrophobicContact CZ3-CD2 4.45Å; W186-F505 AromaticContact CZ3-CE1 3.9Å; W186-F505 HydrophobicContact CZ3-CE1 3.9Å; W186-F505 AromaticContact CZ3-CG 3.76Å; W186-F505 HydrophobicContact CZ3-CG 3.76Å; W186-F505 AromaticContact NE1-CE1 3.91Å; F237-F505 HydrophobicContact CD1-CD2 4.09Å; F237-F505 AromaticContact CD1-CE2 3.73Å; F237-F505 HydrophobicContact CD1-CE2 3.73Å; F237-F505 HydrophobicContact CD1-CZ 4.48Å; F237-F505 AromaticContact CE1-CD2 3.97Å; F237-F505 HydrophobicContact CE1-CD2 3.97Å; F237-F505 AromaticContact CE1-CE2 3.41Å; F237-F505 HydrophobicContact CE1-CE2 3.41Å; F237-F505 VanDerWaalsContact CE1-CE2 3.41Å; F237-F505 AromaticContact CE1-CZ 3.73Å; F237-F505 HydrophobicContact CE1-CZ 3.73Å; F452-F505 HydrophobicContact CE1-CB 4.27Å; F501-F505 HydrophobicContact CE1-CB 4.4Å; F501-F505 VanDerWaalsContact O-CB 3.24Å; F501-F505 WeakPolarHBondContact O-CB 3.48Å; F501-F505 PolarHBondContact O-N 2.96Å; V502-F505 PolarHBondContact O-N 3.35Å; F505-L508 WeakPolarHBondContact O-CB 3.05Å; F505-L508 PolarHBondContact O-N 3.11Å; F505-Q509 PolarHBondContact O-N 3.32Å
506	E	87.8	Confident	88.2	Confident	72 Å²	72	55.9 Å²	55.9	34%	0.336	28%	0.28	S	S	.	.	H	α-helix	trans	-63.7	-42.4	173	-73.6	178.1	153.6	0	0	111.7	W186 K190 V502 L508 Q509 T510	W186-E506 HydrophobicContact CZ2-CG 4.16Å; K190-E506 IonicContact NZ-OE1 3.86Å; K190-E506 PolarHBondContact NZ-OE1 3.43Å; V502-E506 HydrophobicContact CG1-CG 4.49Å; V502-E506 WeakPolarHBondContact O-CB 3.3Å; V502-E506 WeakPolarHBondContact O-CG 3.32Å; V502-E506 PolarHBondContact O-N 2.93Å; E506-L508 VanDerWaalsContact C-N 3.3Å; E506-L508 PolarHBondContact O-N 3.11Å; E506-Q509 WeakPolarHBondContact O-CB 3.32Å; E506-Q509 PolarHBondContact O-N 2.81Å; E506-T510 WeakPolarHBondContact O-CG2 3.43Å; E506-T510 PolarHBondContact O-N 3.41Å; E506-T510 PolarHBondContact O-OG1 2.84Å
507	K	89.8	Confident	88.7	Confident	104 Å²	104	53.8 Å²	53.8	45%	0.452	27%	0.273	S	S	.	.	H	α-helix	trans	-58.4	-44.1	171.1	-71.1	167.9	-150.2	154.7	0	111.4	S503 D504 T510 S511	S503-K507 WeakPolarHBondContact O-CE 3.44Å; S503-K507 VanDerWaalsContact O-CG 3.27Å; S503-K507 WeakPolarHBondContact O-CG 3.12Å; S503-K507 PolarHBondContact O-N 3.48Å; S503-K507 VanDerWaalsContact OG-CE 3.28Å; S503-K507 WeakPolarHBondContact OG-CE 3.47Å; S503-K507 PolarHBondContact OG-NZ 3.07Å; D504-K507 IonicContact OD1-NZ 3.39Å; D504-K507 PolarHBondContact OD1-NZ 3.2Å; K507-T510 PolarHBondContact O-N 2.84Å; K507-T510 PolarHBondContact O-OG1 3.04Å; K507-S511 PolarHBondContact O-N 2.81Å; K507-S511 PolarHBondContact O-OG 2.82Å
508	L	89.1	Confident	89	Confident	2 Å²	2	54 Å²	54	1%	0.01	27%	0.274	C	S	.	.	H	α-helix	trans	-60.1	-50.6	176.6	179.2	58.3	0	0	0	110.6	F174 F178 Q449 F452 D504 F505 E506 T510 S511 M512	F174-L508 HydrophobicContact CE1-CD1 4.39Å; F174-L508 HydrophobicContact CZ-CD1 3.89Å; F174-L508 HydrophobicContact CZ-CD2 4.08Å; F174-L508 HydrophobicContact CZ-CG 4.49Å; F178-L508 HydrophobicContact CD2-CD2 3.67Å; F178-L508 HydrophobicContact CD2-CG 4.01Å; F178-L508 HydrophobicContact CE2-CB 4.36Å; F178-L508 HydrophobicContact CE2-CD2 3.48Å; F178-L508 VanDerWaalsContact CE2-CD2 3.48Å; F178-L508 HydrophobicContact CE2-CG 3.59Å; F178-L508 HydrophobicContact CZ-CG 4.32Å; Q449-L508 HydrophobicContact CB-CD1 4.34Å; Q449-L508 HydrophobicContact CG-CD1 3.73Å; F452-L508 HydrophobicContact CE2-CD2 3.89Å; F452-L508 HydrophobicContact CZ-CB 4.31Å; F452-L508 HydrophobicContact CZ-CD2 3.96Å; D504-L508 WeakPolarHBondContact O-CB 3.44Å; D504-L508 PolarHBondContact O-N 3.45Å; F505-L508 WeakPolarHBondContact O-CB 3.05Å; F505-L508 PolarHBondContact O-N 3.11Å; E506-L508 VanDerWaalsContact C-N 3.3Å; E506-L508 PolarHBondContact O-N 3.11Å; L508-T510 VanDerWaalsContact C-N 3.34Å; L508-T510 PolarHBondContact O-N 3.41Å; L508-S511 CarbonylContact O-C 3.51Å; L508-S511 WeakPolarHBondContact O-CA 3.43Å; L508-S511 WeakPolarHBondContact O-CB 3.42Å; L508-S511 PolarHBondContact O-N 2.88Å; L508-M512 HydrophobicContact CD1-CG 4.38Å; L508-M512 HydrophobicContact CD1-SD 3.52Å; L508-M512 VanDerWaalsContact CD1-SD 3.52Å; L508-M512 HydrophobicContact CG-CG 4.36Å; L508-M512 HydrophobicContact CG-SD 4Å; L508-M512 VanDerWaalsContact O-CG 3.28Å; L508-M512 WeakPolarHBondContact O-CG 3.49Å; L508-M512 PolarHBondContact O-N 3.06Å
509	Q	86.8	Confident	89.6	Confident	76 Å²	76	55.4 Å²	55.4	36%	0.355	28%	0.282	S	S	.	.	H	α-helix	trans	-51.1	-48.9	174.7	-179.6	-176.4	-22.5	0	0	112	F178 H182 F505 E506 S511 M512	F178-Q509 HydrophobicContact CZ-CB 4.09Å; H182-Q509 PolarHBondContact NE2-NE2 2.88Å; H182-Q509 PolarHBondContact NE2-OE1 3.39Å; F505-Q509 PolarHBondContact O-N 3.32Å; E506-Q509 WeakPolarHBondContact O-CB 3.32Å; E506-Q509 PolarHBondContact O-N 2.81Å; Q509-S511 PolarHBondContact O-N 2.8Å; Q509-M512 PolarHBondContact O-N 3.04Å
510	T	87.9	Confident	90	Very high	105 Å²	105	54 Å²	54	64%	0.644	28%	0.28	S	S	*	.	H	α-helix	trans	-66.4	-19.8	177.8	62.5	0	0	0	0	114	E506 K507 L508	E506-T510 WeakPolarHBondContact O-CG2 3.43Å; E506-T510 PolarHBondContact O-N 3.41Å; E506-T510 PolarHBondContact O-OG1 2.84Å; K507-T510 PolarHBondContact O-N 2.84Å; K507-T510 PolarHBondContact O-OG1 3.04Å; L508-T510 VanDerWaalsContact C-N 3.34Å; L508-T510 PolarHBondContact O-N 3.41Å
511	S	89.3	Confident	90.1	Very high	31 Å²	31	52.7 Å²	52.7	22%	0.217	28%	0.277	C	S	.	.	H	α-helix	trans	-87.9	-25.2	175.8	-54.6	0	0	0	0	112.8	Q449 K507 L508 Q509 T513 K514 L515	Q449-S511 VanDerWaalsContact NE2-CB 3.32Å; Q449-S511 PolarHBondContact NE2-OG 2.96Å; K507-S511 PolarHBondContact O-N 2.81Å; K507-S511 PolarHBondContact O-OG 2.82Å; L508-S511 CarbonylContact O-C 3.51Å; L508-S511 WeakPolarHBondContact O-CA 3.43Å; L508-S511 WeakPolarHBondContact O-CB 3.42Å; L508-S511 PolarHBondContact O-N 2.88Å; Q509-S511 PolarHBondContact O-N 2.8Å; S511-T513 PolarHBondContact O-N 3.05Å; S511-K514 PolarHBondContact O-N 3.44Å; S511-L515 PolarHBondContact O-N 3.31Å
512	M	89.1	Confident	90.3	Very high	14 Å²	14	52.6 Å²	52.6	7%	0.069	28%	0.276	C	S	.	.	H	α-helix	trans	-62.6	-39.1	-170.4	-72.6	-45.8	-60.5	0	0	114.3	F174 V175 F178 L508 Q509 K514 L515 G516	F174-M512 HydrophobicContact CD1-CE 4.4Å; F174-M512 HydrophobicContact CE1-CE 3.87Å; F174-M512 HydrophobicContact CE1-SD 3.83Å; F174-M512 HydrophobicContact CZ-CE 4.28Å; F174-M512 HydrophobicContact CZ-SD 3.95Å; V175-M512 HydrophobicContact CB-CE 4.02Å; V175-M512 HydrophobicContact CG1-CE 4.11Å; V175-M512 HydrophobicContact CG2-CE 3.75Å; F178-M512 HydrophobicContact CB-CE 3.98Å; F178-M512 HydrophobicContact CB-SD 4.47Å; F178-M512 HydrophobicContact CD1-CB 4.39Å; F178-M512 HydrophobicContact CD1-CE 4.3Å; F178-M512 HydrophobicContact CD1-CG 3.5Å; F178-M512 HydrophobicContact CD1-SD 4.27Å; F178-M512 HydrophobicContact CD2-CG 4.25Å; F178-M512 HydrophobicContact CD2-SD 4.29Å; F178-M512 HydrophobicContact CE1-CB 4.36Å; F178-M512 HydrophobicContact CE1-CG 3.51Å; F178-M512 HydrophobicContact CE2-CG 4.25Å; F178-M512 HydrophobicContact CG-CE 4.13Å; F178-M512 HydrophobicContact CG-CG 3.9Å; F178-M512 HydrophobicContact CG-SD 4.07Å; F178-M512 HydrophobicContact CZ-CG 3.9Å; L508-M512 HydrophobicContact CD1-CG 4.38Å; L508-M512 HydrophobicContact CD1-SD 3.52Å; L508-M512 VanDerWaalsContact CD1-SD 3.52Å; L508-M512 HydrophobicContact CG-CG 4.36Å; L508-M512 HydrophobicContact CG-SD 4Å; L508-M512 VanDerWaalsContact O-CG 3.28Å; L508-M512 WeakPolarHBondContact O-CG 3.49Å; L508-M512 PolarHBondContact O-N 3.06Å; Q509-M512 PolarHBondContact O-N 3.04Å; M512-K514 PolarHBondContact O-N 3.46Å; M512-L515 PolarHBondContact O-N 3.05Å; M512-L515 HydrophobicContact SD-CD1 4.09Å; M512-G516 PolarHBondContact O-N 2.91Å
513	T	87.8	Confident	90.4	Very high	98 Å²	98	53.8 Å²	53.8	60%	0.601	29%	0.291	S	S	*	.	H	α-helix	trans	-58.9	-49	175.7	-49.3	0	0	0	0	110.5	S511 L515 G516 D517	S511-T513 PolarHBondContact O-N 3.05Å; T513-L515 VanDerWaalsContact C-N 3.35Å; T513-L515 PolarHBondContact O-N 2.76Å; T513-G516 PolarHBondContact O-N 3.07Å; T513-G516 VanDerWaalsContact O-N 3.14Å; T513-D517 VanDerWaalsContact O-CG 3.24Å; T513-D517 PolarHBondContact O-N 3.46Å
514	K	90.3	Very high	90.3	Very high	147 Å²	147	57.2 Å²	57.2	64%	0.639	30%	0.302	S	S	*	.	H	α-helix	trans	-63.2	-38.7	178.6	-61.7	178.5	-179.5	176.4	0	112.5	S511 M512 L518	S511-K514 PolarHBondContact O-N 3.44Å; M512-K514 PolarHBondContact O-N 3.46Å; K514-L518 VanDerWaalsContact O-CB 3.31Å; K514-L518 WeakPolarHBondContact O-CB 3.25Å; K514-L518 VanDerWaalsContact O-CG 3.27Å; K514-L518 WeakPolarHBondContact O-CG 3.44Å; K514-L518 PolarHBondContact O-N 2.73Å
515	L	92.8	Very high	90.1	Very high	4 Å²	4	57.4 Å²	57.4	2%	0.021	31%	0.305	C	S	.	.	H	α-helix	trans	-66.1	-39.3	174.8	-75.2	172.9	0	0	0	111.7	L442 L446 S511 M512 T513 L519	L442-L515 HydrophobicContact CD1-CD2 4.01Å; L446-L515 HydrophobicContact CD2-CD1 4.35Å; L446-L515 HydrophobicContact CD2-CD2 4.34Å; L446-L515 HydrophobicContact CG-CD2 4.11Å; S511-L515 PolarHBondContact O-N 3.31Å; M512-L515 PolarHBondContact O-N 3.05Å; M512-L515 HydrophobicContact SD-CD1 4.09Å; T513-L515 VanDerWaalsContact C-N 3.35Å; T513-L515 PolarHBondContact O-N 2.76Å; L515-L519 WeakPolarHBondContact O-CB 3.34Å; L515-L519 PolarHBondContact O-N 3.19Å
516	G	92.4	Very high	90	Very high	22 Å²	22	57.9 Å²	57.9	23%	0.227	31%	0.307	C	S	.	.	H	α-helix	trans	-64.8	-45.1	173.9	0	0	0	0	0	112.8	M512 T513 L519 K520	M512-G516 PolarHBondContact O-N 2.91Å; T513-G516 PolarHBondContact O-N 3.07Å; T513-G516 VanDerWaalsContact O-N 3.14Å; G516-L519 PolarHBondContact O-N 3.4Å; G516-K520 WeakPolarHBondContact O-CB 3.37Å; G516-K520 PolarHBondContact O-N 3.43Å
517	D	92.9	Very high	89.9	Confident	90 Å²	90	57.8 Å²	57.8	48%	0.481	31%	0.314	S	S	.	.	H	α-helix	trans	-62.2	-47.9	176.5	-64.5	-32.3	0	0	0	111.3	T513 K520 I521	T513-D517 VanDerWaalsContact O-CG 3.24Å; T513-D517 PolarHBondContact O-N 3.46Å; D517-K520 PolarHBondContact O-N 2.92Å; D517-I521 WeakPolarHBondContact O-CD1 3.34Å; D517-I521 VanDerWaalsContact O-CG1 3.29Å; D517-I521 WeakPolarHBondContact O-CG1 3.49Å; D517-I521 PolarHBondContact O-N 3.27Å
518	L	93.6	Very high	89.7	Confident	32 Å²	32	56.4 Å²	56.4	17%	0.168	31%	0.308	C	S	.	.	H	α-helix	trans	-63	-43.1	176.3	-76	168.4	0	0	0	112	N438 F441 L442 K514 K520 I521 V522	N438-L518 HydrophobicContact CB-CD2 4.41Å; F441-L518 HydrophobicContact CB-CD1 4.11Å; F441-L518 HydrophobicContact CB-CD2 4.14Å; L442-L518 HydrophobicContact CB-CB 4.3Å; L442-L518 HydrophobicContact CD1-CB 3.93Å; K514-L518 VanDerWaalsContact O-CB 3.31Å; K514-L518 WeakPolarHBondContact O-CB 3.25Å; K514-L518 VanDerWaalsContact O-CG 3.27Å; K514-L518 WeakPolarHBondContact O-CG 3.44Å; K514-L518 PolarHBondContact O-N 2.73Å; L518-K520 VanDerWaalsContact C-N 3.31Å; L518-K520 PolarHBondContact O-N 3.05Å; L518-I521 PolarHBondContact O-N 3.39Å; L518-V522 WeakPolarHBondContact O-CB 3.23Å; L518-V522 VanDerWaalsContact O-CG2 3.27Å; L518-V522 WeakPolarHBondContact O-CG2 3.38Å; L518-V522 PolarHBondContact O-N 3.05Å
519	L	94.4	Very high	89.4	Confident	30 Å²	30	56.3 Å²	56.3	16%	0.157	31%	0.308	C	S	.	.	H	α-helix	trans	-59.5	-42.4	175.6	172.6	67.2	0	0	0	111.2	L168 V171 G172 V175 L442 L515 G516 G523	L168-L519 HydrophobicContact CD1-CD1 3.67Å; L168-L519 HydrophobicContact CG-CD1 4.02Å; V171-L519 HydrophobicContact CB-CD1 4.33Å; V171-L519 HydrophobicContact CG1-CD1 4.11Å; G172-L519 VanDerWaalsContact CA-CD2 3.45Å; V175-L519 HydrophobicContact CB-CD2 4.32Å; V175-L519 HydrophobicContact CG2-CD2 4.06Å; L442-L519 HydrophobicContact CD1-CB 4.31Å; L515-L519 WeakPolarHBondContact O-CB 3.34Å; L515-L519 PolarHBondContact O-N 3.19Å; G516-L519 PolarHBondContact O-N 3.4Å; L519-G523 PolarHBondContact O-N 3.43Å
520	K	92.6	Very high	89.3	Confident	126 Å²	126	55.6 Å²	55.6	55%	0.548	30%	0.304	S	S	.	.	H	α-helix	trans	-62.3	-51.8	176.3	-177.7	-179.7	174.8	-175.6	0	111	G516 D517 L518 V522 G523 E524	G516-K520 WeakPolarHBondContact O-CB 3.37Å; G516-K520 PolarHBondContact O-N 3.43Å; D517-K520 PolarHBondContact O-N 2.92Å; L518-K520 VanDerWaalsContact C-N 3.31Å; L518-K520 PolarHBondContact O-N 3.05Å; K520-V522 PolarHBondContact O-N 3.35Å; K520-G523 PolarHBondContact O-N 2.98Å; K520-E524 WeakPolarHBondContact CE-OE1 3.41Å; K520-E524 HydrophobicContact CG-CG 4.33Å; K520-E524 IonicContact NZ-OE1 3.85Å; K520-E524 WeakPolarHBondContact O-CB 3.36Å; K520-E524 WeakPolarHBondContact O-CG 3.41Å; K520-E524 PolarHBondContact O-N 3.48Å
521	I	91.8	Very high	89.1	Confident	70 Å²	70	52.4 Å²	52.4	36%	0.359	29%	0.292	S	S	.	.	H	α-helix	trans	-58.8	-46.6	179.7	-66.9	162	0	0	0	111.2	N438 D517 L518 S525	N438-I521 HydrophobicContact CB-CG2 4.39Å; N438-I521 WeakPolarHBondContact ND2-CG2 3.4Å; D517-I521 WeakPolarHBondContact O-CD1 3.34Å; D517-I521 VanDerWaalsContact O-CG1 3.29Å; D517-I521 WeakPolarHBondContact O-CG1 3.49Å; D517-I521 PolarHBondContact O-N 3.27Å; L518-I521 PolarHBondContact O-N 3.39Å; I521-S525 VanDerWaalsContact O-CB 3.25Å; I521-S525 WeakPolarHBondContact O-CB 3.23Å; I521-S525 PolarHBondContact O-N 3Å; I521-S525 VanDerWaalsContact O-N 3.16Å; I521-S525 PolarHBondContact O-OG 3.26Å
522	V	91.5	Very high	88.9	Confident	0 Å²	0	51 Å²	51	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-66.3	-44.7	178.4	173	0	0	0	0	110.6	Y164 L168 N438 M439 L442 L518 K520 S525 F526	Y164-V522 HydrophobicContact CE1-CG1 4.37Å; L168-V522 HydrophobicContact CD1-CB 4.47Å; L168-V522 HydrophobicContact CD1-CG1 3.8Å; L168-V522 HydrophobicContact CD2-CG1 3.98Å; N438-V522 HydrophobicContact CB-CG2 3.86Å; M439-V522 HydrophobicContact CE-CG1 4.12Å; M439-V522 HydrophobicContact CG-CG1 3.79Å; M439-V522 HydrophobicContact CG-CG2 4.14Å; L442-V522 HydrophobicContact CD2-CB 4.38Å; L442-V522 HydrophobicContact CD2-CG1 4.44Å; L442-V522 HydrophobicContact CD2-CG2 4.36Å; L518-V522 WeakPolarHBondContact O-CB 3.23Å; L518-V522 VanDerWaalsContact O-CG2 3.27Å; L518-V522 WeakPolarHBondContact O-CG2 3.38Å; L518-V522 PolarHBondContact O-N 3.05Å; K520-V522 PolarHBondContact O-N 3.35Å; V522-S525 CarbonylContact O-C 3.57Å; V522-S525 PolarHBondContact O-N 3.07Å; V522-F526 WeakPolarHBondContact O-CA 3.1Å; V522-F526 VanDerWaalsContact O-CB 3.31Å; V522-F526 WeakPolarHBondContact O-CB 3.1Å; V522-F526 PolarHBondContact O-N 3.34Å
523	G	88.9	Confident	88.7	Confident	38 Å²	38	51.4 Å²	51.4	39%	0.392	28%	0.284	S	S	.	.	H	α-helix	trans	-64.7	-45.3	-179.8	0	0	0	0	0	113.7	L519 K520 S525 F526	L519-G523 PolarHBondContact O-N 3.43Å; K520-G523 PolarHBondContact O-N 2.98Å; G523-S525 PolarHBondContact O-N 3.3Å; G523-F526 PolarHBondContact O-N 3.23Å
524	E	88.8	Confident	88.6	Confident	120 Å²	120	53.4 Å²	53.4	56%	0.561	28%	0.284	S	S	*	.	H	α-helix	trans	-62.9	-32.8	175.2	-72.4	174.9	168.8	0	0	111.9	K520	K520-E524 WeakPolarHBondContact CE-OE1 3.41Å; K520-E524 HydrophobicContact CG-CG 4.33Å; K520-E524 IonicContact NZ-OE1 3.85Å; K520-E524 WeakPolarHBondContact O-CB 3.36Å; K520-E524 WeakPolarHBondContact O-CG 3.41Å; K520-E524 PolarHBondContact O-N 3.48Å
525	S	86.7	Confident	88.3	Confident	20 Å²	20	47.8 Å²	47.8	14%	0.14	26%	0.26	C	S	.	.	H	α-helix	trans	-93.3	-12	-178.2	-49.8	0	0	0	0	114.2	I521 V522 G523 S527 K528	I521-S525 VanDerWaalsContact O-CB 3.25Å; I521-S525 WeakPolarHBondContact O-CB 3.23Å; I521-S525 PolarHBondContact O-N 3Å; I521-S525 VanDerWaalsContact O-N 3.16Å; I521-S525 PolarHBondContact O-OG 3.26Å; V522-S525 CarbonylContact O-C 3.57Å; V522-S525 PolarHBondContact O-N 3.07Å; G523-S525 PolarHBondContact O-N 3.3Å; S525-S527 VanDerWaalsContact C-N 3.32Å; S525-S527 PolarHBondContact O-N 2.67Å; S525-K528 VanDerWaalsContact O-CB 3.26Å; S525-K528 WeakPolarHBondContact O-CB 3.47Å; S525-K528 PolarHBondContact O-N 3.29Å
526	F	85.6	Confident	87.7	Confident	14 Å²	14	47.6 Å²	47.6	6%	0.061	26%	0.259	C	S	.	.	H	α-helix	trans	-63.8	-38.4	-173.7	-172.8	-112.7	0	0	0	112.5	S161 Y164 L168 F257 M439 V522 G523 K528 I529 E530	S161-F526 VanDerWaalsContact O-CZ 3.32Å; S161-F526 WeakPolarHBondContact O-CZ 3.47Å; Y164-F526 AromaticContact CD1-CD2 3.95Å; Y164-F526 HydrophobicContact CD1-CD2 3.95Å; Y164-F526 AromaticContact CD1-CE2 3.35Å; Y164-F526 HydrophobicContact CD1-CE2 3.35Å; Y164-F526 AromaticContact CD1-CZ 3.85Å; Y164-F526 HydrophobicContact CD1-CZ 3.85Å; Y164-F526 HydrophobicContact CE1-CD2 4.12Å; Y164-F526 AromaticContact CE1-CE2 3.96Å; Y164-F526 HydrophobicContact CE1-CE2 3.96Å; Y164-F526 HydrophobicContact CG-CE2 4.22Å; L168-F526 HydrophobicContact CD2-CB 4.39Å; L168-F526 HydrophobicContact CD2-CG 4.39Å; F257-F526 HydrophobicContact CE1-CE2 4.5Å; F257-F526 HydrophobicContact CE2-CE2 4.03Å; F257-F526 AromaticContact CZ-CE2 3.67Å; F257-F526 HydrophobicContact CZ-CE2 3.67Å; F257-F526 HydrophobicContact CZ-CZ 4.1Å; M439-F526 HydrophobicContact CE-CD2 3.49Å; M439-F526 VanDerWaalsContact CE-CD2 3.49Å; M439-F526 HydrophobicContact CE-CE2 3.84Å; V522-F526 WeakPolarHBondContact O-CA 3.1Å; V522-F526 VanDerWaalsContact O-CB 3.31Å; V522-F526 WeakPolarHBondContact O-CB 3.1Å; V522-F526 PolarHBondContact O-N 3.34Å; G523-F526 PolarHBondContact O-N 3.23Å; F526-K528 PolarHBondContact O-N 3.43Å; F526-K528 VanDerWaalsContact O-N 3.13Å; F526-I529 WeakPolarHBondContact O-CB 3.24Å; F526-I529 PolarHBondContact O-N 2.9Å; F526-E530 HydrophobicContact CD1-CG 4.19Å; F526-E530 HydrophobicContact CE1-CG 3.83Å; F526-E530 WeakPolarHBondContact CE1-OE1 3.14Å; F526-E530 HydrophobicContact CZ-CG 4.3Å; F526-E530 PolarHBondContact O-N 3.34Å
527	S	84.9	Confident	87.2	Confident	70 Å²	70	48.6 Å²	48.6	49%	0.49	26%	0.261	S	S	.	.	H	α-helix	trans	-57.1	-25.9	174.3	58.6	0	0	0	0	113.3	S525 G531	S525-S527 VanDerWaalsContact C-N 3.32Å; S525-S527 PolarHBondContact O-N 2.67Å; S527-G531 PolarHBondContact O-N 3.31Å
528	K	85.6	Confident	86.7	Confident	75 Å²	75	47.5 Å²	47.5	33%	0.326	26%	0.255	S	S	.	.	H	α-helix	trans	-71.7	-35.6	175.3	-55.7	179.2	175.3	177.9	0	111.8	L429 E431 I435 S525 F526 Y532	L429-K528 HydrophobicContact CD1-CB 4.44Å; L429-K528 HydrophobicContact CD2-CB 4.08Å; L429-K528 HydrophobicContact CD2-CD 4.35Å; E431-K528 IonicContact OE1-NZ 3.13Å; E431-K528 VanDerWaalsContact OE2-CD 3.29Å; E431-K528 WeakPolarHBondContact OE2-CD 3.47Å; E431-K528 WeakPolarHBondContact OE2-CE 3.33Å; E431-K528 IonicContact OE2-NZ 2.76Å; E431-K528 PolarHBondContact OE2-NZ 2.82Å; I435-K528 HydrophobicContact CD1-CB 4.24Å; I435-K528 HydrophobicContact CD1-CD 4.29Å; S525-K528 VanDerWaalsContact O-CB 3.26Å; S525-K528 WeakPolarHBondContact O-CB 3.47Å; S525-K528 PolarHBondContact O-N 3.29Å; F526-K528 PolarHBondContact O-N 3.43Å; F526-K528 VanDerWaalsContact O-N 3.13Å; K528-Y532 WeakPolarHBondContact O-CB 3.43Å; K528-Y532 PolarHBondContact O-N 3.15Å
529	I	84.1	Confident	86.2	Confident	1 Å²	1	50.6 Å²	50.6	1%	0.005	28%	0.277	C	S	.	.	H	α-helix	trans	-67.2	-46.2	172.3	-72.8	163.8	0	0	0	110.2	F257 L260 L432 I435 M439 F526 G531 Y532 Q533	F257-I529 HydrophobicContact CD1-CG2 3.59Å; F257-I529 HydrophobicContact CE1-CG2 3.76Å; F257-I529 HydrophobicContact CG-CG2 4.13Å; F257-I529 HydrophobicContact CZ-CG2 4.4Å; L260-I529 HydrophobicContact CD1-CG2 3.98Å; L432-I529 HydrophobicContact CD2-CB 4.41Å; L432-I529 HydrophobicContact CD2-CD1 4.34Å; L432-I529 HydrophobicContact CD2-CG1 3.37Å; I435-I529 HydrophobicContact CB-CD1 4.38Å; I435-I529 HydrophobicContact CG2-CD1 3.56Å; I435-I529 HydrophobicContact CG2-CG1 4.39Å; M439-I529 HydrophobicContact CE-CD1 3.28Å; M439-I529 HydrophobicContact SD-CD1 3.93Å; F526-I529 WeakPolarHBondContact O-CB 3.24Å; F526-I529 PolarHBondContact O-N 2.9Å; I529-G531 VanDerWaalsContact C-N 3.32Å; I529-G531 PolarHBondContact O-N 3.5Å; I529-Y532 PolarHBondContact O-N 2.66Å; I529-Q533 WeakPolarHBondContact O-CB 3.36Å; I529-Q533 PolarHBondContact O-N 3.41Å
530	E	83.5	Confident	85.4	Confident	61 Å²	61	55.9 Å²	55.9	29%	0.285	30%	0.299	S	S	.	.	H	α-helix	trans	-62.5	-38.9	176.5	-63.2	-173.8	147	0	0	112.2	F526 K534	F526-E530 HydrophobicContact CD1-CG 4.19Å; F526-E530 HydrophobicContact CE1-CG 3.83Å; F526-E530 WeakPolarHBondContact CE1-OE1 3.14Å; F526-E530 HydrophobicContact CZ-CG 4.3Å; F526-E530 PolarHBondContact O-N 3.34Å; E530-K534 WeakPolarHBondContact O-CB 3.27Å; E530-K534 WeakPolarHBondContact O-CD 3.4Å; E530-K534 VanDerWaalsContact O-CG 3.24Å; E530-K534 WeakPolarHBondContact O-CG 3.48Å; E530-K534 PolarHBondContact O-N 2.81Å
531	G	84.5	Confident	84.9	Confident	37 Å²	37	50.6 Å²	50.6	38%	0.381	28%	0.276	S	S	.	.	H	α-helix	trans	-63.7	-47.3	174.5	0	0	0	0	0	112.1	S527 I529 Q533 K534 M535	S527-G531 PolarHBondContact O-N 3.31Å; I529-G531 VanDerWaalsContact C-N 3.32Å; I529-G531 PolarHBondContact O-N 3.5Å; G531-Q533 PolarHBondContact O-N 3.29Å; G531-K534 PolarHBondContact O-N 2.96Å; G531-M535 PolarHBondContact O-N 2.84Å
532	Y	85.5	Confident	84.3	Confident	3 Å²	3	48.8 Å²	48.8	1%	0.012	27%	0.267	C	S	.	.	H	α-helix	trans	-60.9	-45.5	176.4	-165.2	-101.4	0	0	0	112.4	L260 E263 S264 E427 L429 L432 K528 I529 K534 M535 I536	L260-Y532 HydrophobicContact CB-CD1 4.45Å; E263-Y532 VanDerWaalsContact OE2-CE1 3.3Å; E263-Y532 WeakPolarHBondContact OE2-CE1 3.24Å; E263-Y532 PolarHBondContact OE2-OH 3.28Å; S264-Y532 WeakPolarHBondContact CA-OH 3.45Å; S264-Y532 WeakPolarHBondContact CB-OH 3.42Å; E427-Y532 WeakPolarHBondContact O-CE2 3.34Å; L429-Y532 HydrophobicContact CB-CD2 3.9Å; L429-Y532 HydrophobicContact CB-CE2 4.27Å; L429-Y532 HydrophobicContact CD1-CD2 3.92Å; L429-Y532 HydrophobicContact CD1-CG 4.45Å; L432-Y532 HydrophobicContact CD1-CD1 3.77Å; L432-Y532 HydrophobicContact CD1-CD2 4.11Å; L432-Y532 HydrophobicContact CD1-CE1 4.12Å; L432-Y532 HydrophobicContact CD1-CE2 4.43Å; L432-Y532 HydrophobicContact CD1-CG 3.77Å; K528-Y532 WeakPolarHBondContact O-CB 3.43Å; K528-Y532 PolarHBondContact O-N 3.15Å; I529-Y532 PolarHBondContact O-N 2.66Å; Y532-K534 PolarHBondContact O-N 3.17Å; Y532-M535 HydrophobicContact CD2-CE 3.86Å; Y532-M535 HydrophobicContact CE2-CE 3.41Å; Y532-M535 VanDerWaalsContact CE2-CE 3.41Å; Y532-M535 WeakPolarHBondContact O-CB 3.29Å; Y532-M535 PolarHBondContact O-N 3.35Å; Y532-I536 HydrophobicContact CD1-CG2 4.2Å; Y532-I536 HydrophobicContact CE1-CD1 4.46Å; Y532-I536 HydrophobicContact CE1-CG2 3.7Å; Y532-I536 PolarHBondContact O-N 3.21Å
533	Q	85.2	Confident	84	Confident	22 Å²	22	51.7 Å²	51.7	10%	0.103	29%	0.287	C	S	.	.	H	α-helix	trans	-56.9	-50.1	175.8	-175.6	-177.8	-0.2	0	0	110.7	V159 S161 L260 I529 G531 M535 I536 T537	V159-Q533 PolarHBondContact O-NE2 3.29Å; V159-Q533 PolarHBondContact O-OE1 3.21Å; S161-Q533 PolarHBondContact OG-OE1 2.84Å; L260-Q533 HydrophobicContact CD1-CB 4.25Å; I529-Q533 WeakPolarHBondContact O-CB 3.36Å; I529-Q533 PolarHBondContact O-N 3.41Å; G531-Q533 PolarHBondContact O-N 3.29Å; Q533-M535 VanDerWaalsContact C-N 3.3Å; Q533-M535 PolarHBondContact O-N 2.68Å; Q533-I536 WeakPolarHBondContact O-CG1 3.33Å; Q533-I536 PolarHBondContact O-N 2.7Å; Q533-T537 WeakPolarHBondContact O-CG2 3.4Å; Q533-T537 PolarHBondContact O-N 2.58Å; Q533-T537 PolarHBondContact O-OG1 3.07Å
534	K	84.4	Confident	83.9	Confident	139 Å²	139	50.5 Å²	50.5	60%	0.604	27%	0.271	S	S	*	.	H	α-helix	trans	-57.2	-43.1	177.8	-74.9	164.9	-172.8	163.9	0	112	E530 G531 Y532 T537 D538	E530-K534 WeakPolarHBondContact O-CB 3.27Å; E530-K534 WeakPolarHBondContact O-CD 3.4Å; E530-K534 VanDerWaalsContact O-CG 3.24Å; E530-K534 WeakPolarHBondContact O-CG 3.48Å; E530-K534 PolarHBondContact O-N 2.81Å; G531-K534 PolarHBondContact O-N 2.96Å; Y532-K534 PolarHBondContact O-N 3.17Å; K534-T537 WeakPolarHBondContact CA-OG1 3.41Å; K534-T537 CarbonylContact O-C 3.31Å; K534-T537 PolarHBondContact O-N 2.9Å; K534-T537 PolarHBondContact O-OG1 3.11Å; K534-D538 PolarHBondContact O-N 2.96Å; K534-D538 VanDerWaalsContact O-N 3.15Å
535	M	83.7	Confident	83.8	Confident	30 Å²	30	45.2 Å²	45.2	15%	0.148	25%	0.246	C	C	.	.	H	α-helix	trans	-59.3	-51.7	176.5	-176.1	-160.4	68.9	0	0	111.6	E427 G531 Y532 Q533 T537 D538	E427-M535 HydrophobicContact CB-SD 4.08Å; G531-M535 PolarHBondContact O-N 2.84Å; Y532-M535 HydrophobicContact CD2-CE 3.86Å; Y532-M535 HydrophobicContact CE2-CE 3.41Å; Y532-M535 VanDerWaalsContact CE2-CE 3.41Å; Y532-M535 WeakPolarHBondContact O-CB 3.29Å; Y532-M535 PolarHBondContact O-N 3.35Å; Q533-M535 VanDerWaalsContact C-N 3.3Å; Q533-M535 PolarHBondContact O-N 2.68Å; M535-T537 PolarHBondContact O-N 3.31Å; M535-D538 VanDerWaalsContact O-CB 3.25Å; M535-D538 WeakPolarHBondContact O-CB 3.35Å; M535-D538 PolarHBondContact O-N 3.3Å
536	I	81.8	Confident	83.8	Confident	0 Å²	0	50.3 Å²	50.3	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-72.1	-18.6	-177.1	69.1	169.4	0	0	0	113.5	L156 L260 E263 Y532 Q533 H541 Y545	L156-I536 HydrophobicContact CB-CD1 4.21Å; L156-I536 HydrophobicContact CD1-CD1 4.26Å; L156-I536 HydrophobicContact CD2-CD1 4.39Å; L260-I536 HydrophobicContact CD2-CD1 3.44Å; L260-I536 VanDerWaalsContact CD2-CD1 3.44Å; E263-I536 WeakPolarHBondContact OE2-CG2 3.49Å; Y532-I536 HydrophobicContact CD1-CG2 4.2Å; Y532-I536 HydrophobicContact CE1-CD1 4.46Å; Y532-I536 HydrophobicContact CE1-CG2 3.7Å; Y532-I536 PolarHBondContact O-N 3.21Å; Q533-I536 WeakPolarHBondContact O-CG1 3.33Å; Q533-I536 PolarHBondContact O-N 2.7Å; I536-H541 WeakPolarHBondContact O-CB 3.12Å; I536-Y545 HydrophobicContact CB-CE2 4.46Å
537	T	80.8	Confident	84	Confident	43 Å²	43	51.4 Å²	51.4	26%	0.264	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.3	4	170.4	59.6	0	0	0	0	113.9	E157 Q533 K534 M535 L542	E157-T537 HydrophobicContact CG-CG2 4.37Å; Q533-T537 WeakPolarHBondContact O-CG2 3.4Å; Q533-T537 PolarHBondContact O-N 2.58Å; Q533-T537 PolarHBondContact O-OG1 3.07Å; K534-T537 WeakPolarHBondContact CA-OG1 3.41Å; K534-T537 CarbonylContact O-C 3.31Å; K534-T537 PolarHBondContact O-N 2.9Å; K534-T537 PolarHBondContact O-OG1 3.11Å; M535-T537 PolarHBondContact O-N 3.31Å; T537-L542 WeakPolarHBondContact O-CD1 3.25Å
538	D	83.8	Confident	84.2	Confident	66 Å²	66	48.1 Å²	48.1	35%	0.353	25%	0.254	S	S	.	.	S	Bend	trans	-62.6	141.2	171.1	-176.5	-87.8	0	0	0	109.9	K534 M535 K540 H541 L542	K534-D538 PolarHBondContact O-N 2.96Å; K534-D538 VanDerWaalsContact O-N 3.15Å; M535-D538 VanDerWaalsContact O-CB 3.25Å; M535-D538 WeakPolarHBondContact O-CB 3.35Å; M535-D538 PolarHBondContact O-N 3.3Å; D538-K540 PolarHBondContact O-N 3.15Å; D538-K540 VanDerWaalsContact OD1-CB 3.29Å; D538-K540 WeakPolarHBondContact OD1-CB 3.45Å; D538-K540 WeakPolarHBondContact OD1-CG 3.33Å; D538-K540 PolarHBondContact OD1-N 2.83Å; D538-H541 PolarHBondContact O-N 2.98Å; D538-L542 PolarHBondContact O-N 2.75Å
539	P	82.3	Confident	84.3	Confident	98 Å²	98	47.9 Å²	47.9	64%	0.636	26%	0.259	S	S	*	.	H	α-helix	trans	-51.6	-29.1	179.3	-30.7	37.1	0	0	0	115.1	S543	P539-S543 WeakPolarHBondContact O-CB 3.48Å; P539-S543 PolarHBondContact O-N 2.67Å; P539-S543 PolarHBondContact O-OG 2.94Å
540	K	78.4	Confident	84.5	Confident	141 Å²	141	52.3 Å²	52.3	61%	0.613	30%	0.295	S	S	*	.	H	α-helix	trans	-70.7	-42.7	175.8	-63.3	175.3	-179.5	175.6	0	112	D538 S543 F544	D538-K540 PolarHBondContact O-N 3.15Å; D538-K540 VanDerWaalsContact OD1-CB 3.29Å; D538-K540 WeakPolarHBondContact OD1-CB 3.45Å; D538-K540 WeakPolarHBondContact OD1-CG 3.33Å; D538-K540 PolarHBondContact OD1-N 2.83Å; K540-S543 PolarHBondContact O-N 3.39Å; K540-S543 PolarHBondContact O-OG 3.25Å; K540-F544 PolarHBondContact O-N 2.91Å
541	H	80.4	Confident	84.7	Confident	15 Å²	15	49.9 Å²	49.9	7%	0.069	29%	0.286	C	S	.	.	H	α-helix	trans	-69.1	-40.8	176.1	-72.3	53.6	0	0	0	111.1	R267 S425 I536 D538 S543 F544 Y545	R267-H541 PolarHBondContact NH1-CD2 3.36Å; R267-H541 VanDerWaalsContact NH1-CD2 3.28Å; R267-H541 PolarHBondContact NH1-NE2 2.57Å; S425-H541 PolarHBondContact OG-NE2 3.1Å; I536-H541 WeakPolarHBondContact O-CB 3.12Å; D538-H541 PolarHBondContact O-N 2.98Å; H541-S543 VanDerWaalsContact C-N 3.34Å; H541-S543 PolarHBondContact O-N 2.88Å; H541-F544 PolarHBondContact O-N 3.13Å; H541-Y545 VanDerWaalsContact O-CD2 3.27Å; H541-Y545 WeakPolarHBondContact O-CD2 3.35Å; H541-Y545 PolarHBondContact O-N 2.9Å
542	L	80.8	Confident	84.6	Confident	31 Å²	31	51.1 Å²	51.1	16%	0.162	28%	0.281	C	S	.	.	H	α-helix	trans	-61.2	-39.9	173.6	-66.2	178	0	0	0	112.2	E157 T537 D538 F544 Y545 Q546	E157-L542 HydrophobicContact CG-CD2 4.13Å; E157-L542 WeakPolarHBondContact OE1-CD2 3.37Å; T537-L542 WeakPolarHBondContact O-CD1 3.25Å; D538-L542 PolarHBondContact O-N 2.75Å; L542-F544 VanDerWaalsContact C-N 3.31Å; L542-F544 PolarHBondContact O-N 3.44Å; L542-Y545 HydrophobicContact CD2-CD2 4.32Å; L542-Y545 PolarHBondContact O-N 3.5Å; L542-Q546 WeakPolarHBondContact O-CB 3.42Å; L542-Q546 VanDerWaalsContact O-CG 3.22Å; L542-Q546 WeakPolarHBondContact O-CG 3.49Å; L542-Q546 PolarHBondContact O-N 2.94Å
543	S	84.1	Confident	84.3	Confident	61 Å²	61	52.2 Å²	52.2	43%	0.427	29%	0.287	S	S	.	.	H	α-helix	trans	-63.6	-34	177.1	68.7	0	0	0	0	113.6	P539 K540 H541 C547	P539-S543 WeakPolarHBondContact O-CB 3.48Å; P539-S543 PolarHBondContact O-N 2.67Å; P539-S543 PolarHBondContact O-OG 2.94Å; K540-S543 PolarHBondContact O-N 3.39Å; K540-S543 PolarHBondContact O-OG 3.25Å; H541-S543 VanDerWaalsContact C-N 3.34Å; H541-S543 PolarHBondContact O-N 2.88Å; S543-C547 WeakPolarHBondContact O-CB 3.32Å; S543-C547 PolarHBondContact O-N 2.89Å
544	F	86.8	Confident	83.9	Confident	13 Å²	13	60.6 Å²	60.6	6%	0.057	32%	0.323	C	S	.	.	H	α-helix	trans	-65.5	-46.5	173.5	165.2	-100	0	0	0	111.4	L144 I147 L270 K540 H541 L542 C547 L548	L144-F544 HydrophobicContact CD2-CE2 4.12Å; L144-F544 HydrophobicContact CD2-CZ 3.8Å; I147-F544 HydrophobicContact CG2-CE1 4.43Å; L270-F544 HydrophobicContact CD2-CZ 4.2Å; K540-F544 PolarHBondContact O-N 2.91Å; H541-F544 PolarHBondContact O-N 3.13Å; L542-F544 VanDerWaalsContact C-N 3.31Å; L542-F544 PolarHBondContact O-N 3.44Å; F544-C547 WeakPolarHBondContact O-CB 3.45Å; F544-C547 PolarHBondContact O-N 3.47Å; F544-L548 HydrophobicContact CD1-CD1 4.38Å; F544-L548 HydrophobicContact CE1-CD1 3.66Å; F544-L548 HydrophobicContact CE2-CD1 3.97Å; F544-L548 HydrophobicContact CE2-CG 4.24Å; F544-L548 HydrophobicContact CZ-CD1 3.44Å; F544-L548 VanDerWaalsContact CZ-CD1 3.44Å; F544-L548 HydrophobicContact CZ-CG 4.2Å; F544-L548 PolarHBondContact O-N 2.73Å
545	Y	86.4	Confident	83.7	Confident	10 Å²	10	60.1 Å²	60.1	4%	0.039	32%	0.323	C	S	.	.	H	α-helix	trans	-64.8	-40.7	176.1	-61	-44.7	0	0	0	112.9	I147 L151 L156 E263 R267 I536 H541 L542 C547 L548 T549	I147-Y545 HydrophobicContact CG2-CD1 4.19Å; I147-Y545 HydrophobicContact CG2-CE1 4.17Å; L151-Y545 HydrophobicContact CD1-CD1 3.85Å; L151-Y545 HydrophobicContact CD1-CG 4.08Å; L151-Y545 HydrophobicContact CD2-CD1 3.92Å; L151-Y545 HydrophobicContact CD2-CD2 4.37Å; L151-Y545 HydrophobicContact CD2-CE1 4.43Å; L151-Y545 HydrophobicContact CD2-CG 3.87Å; L151-Y545 HydrophobicContact CG-CD1 4.4Å; L156-Y545 HydrophobicContact CD1-CD2 4.43Å; L156-Y545 HydrophobicContact CD1-CE1 4.48Å; L156-Y545 HydrophobicContact CD1-CE2 3.83Å; E263-Y545 HydrophobicContact CG-CE1 4.46Å; E263-Y545 VanDerWaalsContact CG-OH 3.26Å; E263-Y545 WeakPolarHBondContact CG-OH 3.47Å; E263-Y545 PolarHBondContact OE1-OH 3.36Å; R267-Y545 PolarHBondContact NH2-OH 2.98Å; I536-Y545 HydrophobicContact CB-CE2 4.46Å; H541-Y545 VanDerWaalsContact O-CD2 3.27Å; H541-Y545 WeakPolarHBondContact O-CD2 3.35Å; H541-Y545 PolarHBondContact O-N 2.9Å; L542-Y545 HydrophobicContact CD2-CD2 4.32Å; L542-Y545 PolarHBondContact O-N 3.5Å; Y545-C547 VanDerWaalsContact C-N 3.29Å; Y545-C547 PolarHBondContact O-N 3.49Å; Y545-L548 PolarHBondContact O-N 2.94Å; Y545-T549 WeakPolarHBondContact O-CB 3.45Å; Y545-T549 PolarHBondContact O-N 3.2Å; Y545-T549 PolarHBondContact O-OG1 2.87Å
546	Q	86.6	Confident	83.9	Confident	126 Å²	126	59.9 Å²	59.9	59%	0.589	33%	0.328	S	S	*	.	H	α-helix	trans	-61.7	-39.6	174.5	-73.3	169	3.8	0	0	111	L542 T549 A550	L542-Q546 WeakPolarHBondContact O-CB 3.42Å; L542-Q546 VanDerWaalsContact O-CG 3.22Å; L542-Q546 WeakPolarHBondContact O-CG 3.49Å; L542-Q546 PolarHBondContact O-N 2.94Å; Q546-T549 PolarHBondContact O-N 3.26Å; Q546-A550 WeakPolarHBondContact O-CB 3.33Å; Q546-A550 PolarHBondContact O-N 2.96Å
547	C	90.3	Very high	84.3	Confident	38 Å²	38	59.9 Å²	59.9	26%	0.257	33%	0.328	S	S	.	.	H	α-helix	trans	-61.5	-54.3	173	-166.4	0	0	0	0	111	C418 S543 F544 Y545 T549 A550 A551	C418-C547 WeakPolarHBondContact CA-SG 3.47Å; C418-C547 HydrophobicContact CB-CB 3.7Å; C418-C547 WeakPolarHBondContact CB-SG 3.25Å; C418-C547 VanDerWaalsContact SG-CA 3.59Å; C418-C547 WeakPolarHBondContact SG-CB 3.25Å; C418-C547 PolarHBondContact SG-O 2.7Å; C418-C547 VanDerWaalsContact SG-O 3.35Å; C418-C547 CovalentContact SG-SG 2.04Å; C418-C547 PolarHBondContact SG-SG 3.31Å; S543-C547 WeakPolarHBondContact O-CB 3.32Å; S543-C547 PolarHBondContact O-N 2.89Å; F544-C547 WeakPolarHBondContact O-CB 3.45Å; F544-C547 PolarHBondContact O-N 3.47Å; Y545-C547 VanDerWaalsContact C-N 3.29Å; Y545-C547 PolarHBondContact O-N 3.49Å; C547-T549 VanDerWaalsContact C-N 3.28Å; C547-T549 PolarHBondContact O-N 3.18Å; C547-A550 PolarHBondContact O-N 2.71Å; C547-A550 VanDerWaalsContact O-N 3.09Å; C547-A551 WeakPolarHBondContact O-CB 3.49Å; C547-A551 PolarHBondContact O-N 2.91Å
548	L	89.5	Confident	84.8	Confident	0 Å²	0	57.8 Å²	57.8	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-59.1	-36.3	178.5	-73.1	-178.4	0	0	0	113.3	L144 I147 S148 I415 C418 F544 Y545 A551 K552	L144-L548 HydrophobicContact CB-CD2 4.45Å; L144-L548 HydrophobicContact CD2-CD1 4.19Å; L144-L548 HydrophobicContact CD2-CD2 4.3Å; I147-L548 HydrophobicContact CB-CD1 4.25Å; I147-L548 HydrophobicContact CG2-CD1 3.71Å; S148-L548 PolarHBondContact OG-O 3.42Å; I415-L548 HydrophobicContact CG1-CD2 4.36Å; I415-L548 HydrophobicContact CG2-CD2 4.13Å; C418-L548 HydrophobicContact CB-CD2 3.82Å; C418-L548 HydrophobicContact CB-CG 4.27Å; F544-L548 HydrophobicContact CD1-CD1 4.38Å; F544-L548 HydrophobicContact CE1-CD1 3.66Å; F544-L548 HydrophobicContact CE2-CD1 3.97Å; F544-L548 HydrophobicContact CE2-CG 4.24Å; F544-L548 HydrophobicContact CZ-CD1 3.44Å; F544-L548 VanDerWaalsContact CZ-CD1 3.44Å; F544-L548 HydrophobicContact CZ-CG 4.2Å; F544-L548 PolarHBondContact O-N 2.73Å; Y545-L548 PolarHBondContact O-N 2.94Å; L548-A551 CarbonylContact O-C 3.57Å; L548-A551 PolarHBondContact O-N 3.47Å; L548-K552 PolarHBondContact O-N 3.23Å
549	T	87.4	Confident	85.2	Confident	71 Å²	71	58.6 Å²	58.6	44%	0.436	31%	0.314	S	S	.	.	H	α-helix	trans	-68.4	-36.8	176.8	-53.3	0	0	0	0	111.7	Y545 Q546 C547 K552	Y545-T549 WeakPolarHBondContact O-CB 3.45Å; Y545-T549 PolarHBondContact O-N 3.2Å; Y545-T549 PolarHBondContact O-OG1 2.87Å; Q546-T549 PolarHBondContact O-N 3.26Å; C547-T549 VanDerWaalsContact C-N 3.28Å; C547-T549 PolarHBondContact O-N 3.18Å; T549-K552 WeakPolarHBondContact O-CB 3.45Å
550	A	88.2	Confident	85.7	Confident	93 Å²	93	55 Å²	55	77%	0.769	29%	0.292	S	S	*	.	H	α-helix	trans	-75.7	-35	175.4	0	0	0	0	0	112.4	Q546 C547 K552	Q546-A550 WeakPolarHBondContact O-CB 3.33Å; Q546-A550 PolarHBondContact O-N 2.96Å; C547-A550 PolarHBondContact O-N 2.71Å; C547-A550 VanDerWaalsContact O-N 3.09Å; A550-K552 PolarHBondContact O-N 3.02Å
551	A	88.2	Confident	86.4	Confident	11 Å²	11	48.3 Å²	48.3	9%	0.091	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.3	28.6	175.8	0	0	0	0	0	112.6	H411 A414 I415 C547 L548	H411-A551 PolarHBondContact CE1-O 2.84Å; H411-A551 PolarHBondContact ND1-O 3.36Å; H411-A551 VanDerWaalsContact ND1-O 3.1Å; A414-A551 HydrophobicContact CB-CB 3.54Å; I415-A551 HydrophobicContact CG1-CB 4.43Å; I415-A551 WeakPolarHBondContact CG1-O 3.4Å; C547-A551 WeakPolarHBondContact O-CB 3.49Å; C547-A551 PolarHBondContact O-N 2.91Å; L548-A551 CarbonylContact O-C 3.57Å; L548-A551 PolarHBondContact O-N 3.47Å
552	K	81.9	Confident	87	Confident	62 Å²	62	48.6 Å²	48.6	27%	0.27	27%	0.265	S	S	.	.			trans	-91.1	133.7	-175.1	-177.6	-172.5	175.2	-163.4	0	111.8	D152 L548 T549 A550 K554	D152-K552 IonicContact OD1-NZ 2.96Å; D152-K552 PolarHBondContact OD1-NZ 3.17Å; D152-K552 VanDerWaalsContact OD2-CE 3.32Å; D152-K552 WeakPolarHBondContact OD2-CE 3.4Å; D152-K552 IonicContact OD2-NZ 2.76Å; D152-K552 PolarHBondContact OD2-NZ 3.43Å; L548-K552 PolarHBondContact O-N 3.23Å; T549-K552 WeakPolarHBondContact O-CB 3.45Å; A550-K552 PolarHBondContact O-N 3.02Å; K552-K554 PolarHBondContact O-N 3.21Å
553	D	80	Confident	87.5	Confident	27 Å²	27	52.2 Å²	52.2	14%	0.144	28%	0.281	C	S	.	.			trans	-72.7	119.3	168.6	-163.7	-21.3	0	0	0	109.7	H411 E555 G556 G557	H411-D553 PolarHBondContact CE1-N 2.91Å; H411-D553 PolarHBondContact ND1-N 3.32Å; D553-E555 WeakPolarHBondContact OD1-CA 3.43Å; D553-E555 PolarHBondContact OD1-N 3.39Å; D553-G556 PolarHBondContact OD1-N 3.33Å; D553-G556 PolarHBondContact OD2-N 3.23Å; D553-G557 WeakPolarHBondContact OD2-CA 3.44Å; D553-G557 PolarHBondContact OD2-N 3.07Å
554	K	75.9	Confident	87.8	Confident	197 Å²	197	49.8 Å²	49.8	86%	0.857	26%	0.263	S	S	*	.	S	Bend	trans	-84.2	-17	177.2	-66.5	177.9	-177.2	171.2	0	112.4	K552	K552-K554 PolarHBondContact O-N 3.21Å
555	E	81.3	Confident	88	Confident	129 Å²	129	49.1 Å²	49.1	60%	0.603	26%	0.261	S	S	*	.	S	Bend	trans	-102.8	-27.2	-177.3	-58.2	-174.1	-179.6	0	0	110.7	Y404 F405 D553	Y404-E555 HydrophobicContact CE2-CB 4.25Å; Y404-E555 PolarHBondContact OH-O 2.91Å; F405-E555 HydrophobicContact CD1-CB 4.31Å; F405-E555 HydrophobicContact CE1-CB 3.73Å; D553-E555 WeakPolarHBondContact OD1-CA 3.43Å; D553-E555 PolarHBondContact OD1-N 3.39Å
556	G	87.1	Confident	88	Confident	25 Å²	25	51.7 Å²	51.7	26%	0.258	28%	0.284	S	S	.	.			trans	86.9	25.8	170.1	0	0	0	0	0	114.9	D553 R559 A560	D553-G556 PolarHBondContact OD1-N 3.33Å; D553-G556 PolarHBondContact OD2-N 3.23Å; G556-R559 PolarHBondContact O-N 2.98Å; G556-A560 WeakPolarHBondContact O-CB 3.46Å; G556-A560 PolarHBondContact O-N 2.72Å
557	G	90.6	Very high	88	Confident	0 Å²	0	48.4 Å²	48.4	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-64.1	-45.4	-175.1	0	0	0	0	0	114.3	F405 D553 R559 A560 L561	F405-G557 VanDerWaalsContact CE1-N 3.26Å; D553-G557 WeakPolarHBondContact OD2-CA 3.44Å; D553-G557 PolarHBondContact OD2-N 3.07Å; G557-R559 VanDerWaalsContact C-N 3.31Å; G557-R559 PolarHBondContact O-N 3.19Å; G557-A560 PolarHBondContact O-N 2.93Å; G557-L561 WeakPolarHBondContact O-CB 3.4Å; G557-L561 WeakPolarHBondContact O-CD1 3.2Å; G557-L561 WeakPolarHBondContact O-CG 3.39Å; G557-L561 PolarHBondContact O-N 3.2Å
558	V	91.6	Very high	87.8	Confident	0 Å²	0	46.7 Å²	46.7	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-60.6	-42.7	176.6	156.9	0	0	0	0	111.4	L141 E145 F288 V408 L561 L562	L141-V558 HydrophobicContact CD1-CG1 4.09Å; L141-V558 HydrophobicContact CD2-CG1 3.48Å; L141-V558 VanDerWaalsContact CD2-CG1 3.48Å; L141-V558 HydrophobicContact CG-CG1 3.61Å; E145-V558 HydrophobicContact CG-CG1 4.1Å; E145-V558 WeakPolarHBondContact OE1-CG1 3.44Å; F288-V558 HydrophobicContact CD2-CG2 4.32Å; F288-V558 HydrophobicContact CE2-CG1 4.39Å; F288-V558 HydrophobicContact CE2-CG2 3.9Å; V408-V558 HydrophobicContact CB-CG2 3.87Å; V408-V558 HydrophobicContact CG1-CG2 4.3Å; V408-V558 HydrophobicContact CG2-CG2 4.14Å; V558-L561 PolarHBondContact O-N 2.87Å; V558-L562 HydrophobicContact CG1-CD1 3.88Å; V558-L562 HydrophobicContact CG1-CG 4.47Å; V558-L562 WeakPolarHBondContact O-CB 2.97Å; V558-L562 VanDerWaalsContact O-CG 3.28Å; V558-L562 WeakPolarHBondContact O-CG 3.45Å; V558-L562 PolarHBondContact O-N 3.45Å
559	R	91	Very high	87.7	Confident	82 Å²	82	50.5 Å²	50.5	31%	0.309	28%	0.275	S	S	.	.	H	α-helix	trans	-61.5	-48.4	175.1	-170.8	-174.9	-170.5	103.2	14.9	111.4	D146 G556 G557 L561 L562 E563	D146-R559 IonicContact OD1-CZ 3.75Å; D146-R559 VanDerWaalsContact OD1-CZ 3.28Å; D146-R559 IonicContact OD1-NH1 2.83Å; D146-R559 PolarHBondContact OD1-NH1 3.02Å; D146-R559 IonicContact OD1-NH2 3.61Å; D146-R559 PolarHBondContact OD1-NH2 3.48Å; G556-R559 PolarHBondContact O-N 2.98Å; G557-R559 VanDerWaalsContact C-N 3.31Å; G557-R559 PolarHBondContact O-N 3.19Å; R559-L561 VanDerWaalsContact C-N 3.3Å; R559-L561 PolarHBondContact O-N 2.92Å; R559-L562 PolarHBondContact O-N 2.89Å; R559-E563 HydrophobicContact CG-CG 4.49Å; R559-E563 WeakPolarHBondContact CG-OE1 3.48Å; R559-E563 IonicContact CZ-OE1 2.65Å; R559-E563 IonicContact NE-OE1 2.63Å; R559-E563 PolarHBondContact NE-OE1 2.97Å; R559-E563 IonicContact NH2-OE1 3.61Å; R559-E563 WeakPolarHBondContact O-CB 3.13Å; R559-E563 WeakPolarHBondContact O-CG 3.32Å; R559-E563 PolarHBondContact O-N 3.41Å
560	A	92.3	Very high	87.7	Confident	23 Å²	23	50.8 Å²	50.8	19%	0.19	28%	0.284	C	S	.	.	H	α-helix	trans	-61	-38	-179.9	0	0	0	0	0	112.4	L402 F405 G556 G557 N564	L402-A560 HydrophobicContact CD2-CB 3.65Å; F405-A560 HydrophobicContact CE2-CB 4Å; F405-A560 HydrophobicContact CZ-CB 4.3Å; G556-A560 WeakPolarHBondContact O-CB 3.46Å; G556-A560 PolarHBondContact O-N 2.72Å; G557-A560 PolarHBondContact O-N 2.93Å; A560-N564 WeakPolarHBondContact O-CB 3.32Å; A560-N564 PolarHBondContact O-N 3.38Å; A560-N564 PolarHBondContact O-ND2 3.06Å
561	L	94	Very high	87.6	Confident	0 Å²	0	47 Å²	47	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-67.7	-46.4	175.8	-75.9	159.6	0	0	0	112.2	F288 V291 L292 L402 V408 G557 V558 R559 E563 N564 F565	F288-L561 HydrophobicContact CB-CD1 3.87Å; F288-L561 HydrophobicContact CD1-CB 3.67Å; F288-L561 HydrophobicContact CD1-CD1 3.95Å; F288-L561 HydrophobicContact CD1-CD2 4.34Å; F288-L561 HydrophobicContact CD1-CG 4.21Å; F288-L561 HydrophobicContact CD2-CD1 4.35Å; F288-L561 HydrophobicContact CE1-CB 3.67Å; F288-L561 HydrophobicContact CG-CB 4.37Å; F288-L561 HydrophobicContact CG-CD1 3.82Å; F288-L561 HydrophobicContact CZ-CB 4.35Å; V291-L561 HydrophobicContact CB-CD2 4.1Å; V291-L561 HydrophobicContact CG1-CD2 3.6Å; L292-L561 HydrophobicContact CD1-CD1 4.26Å; L292-L561 HydrophobicContact CD2-CD1 4.2Å; L292-L561 HydrophobicContact CD2-CD2 4Å; L292-L561 HydrophobicContact CD2-CG 4.39Å; L292-L561 HydrophobicContact CG-CD1 4.16Å; L292-L561 HydrophobicContact CG-CD2 4.22Å; L402-L561 HydrophobicContact CD1-CD2 3.92Å; V408-L561 HydrophobicContact CB-CD1 4.39Å; V408-L561 HydrophobicContact CG1-CD1 3.93Å; V408-L561 HydrophobicContact CG2-CD1 3.6Å; G557-L561 WeakPolarHBondContact O-CB 3.4Å; G557-L561 WeakPolarHBondContact O-CD1 3.2Å; G557-L561 WeakPolarHBondContact O-CG 3.39Å; G557-L561 PolarHBondContact O-N 3.2Å; V558-L561 PolarHBondContact O-N 2.87Å; R559-L561 VanDerWaalsContact C-N 3.3Å; R559-L561 PolarHBondContact O-N 2.92Å; L561-E563 VanDerWaalsContact C-N 3.33Å; L561-E563 PolarHBondContact O-N 3.15Å; L561-N564 WeakPolarHBondContact O-CB 3.46Å; L561-N564 PolarHBondContact O-N 3.44Å; L561-N564 VanDerWaalsContact O-N 3.13Å; L561-F565 WeakPolarHBondContact O-CD1 3.25Å; L561-F565 PolarHBondContact O-N 3.22Å
562	L	92.9	Very high	87.6	Confident	22 Å²	22	49.3 Å²	49.3	12%	0.115	27%	0.265	C	S	.	.	H	α-helix	trans	-60.2	-41.8	175.3	-70.9	169.3	0	0	0	112.2	E138 L141 A142 F288 V558 R559 N564 F565 A566	E138-L562 HydrophobicContact CB-CD2 3.76Å; E138-L562 HydrophobicContact CG-CD2 3.87Å; L141-L562 HydrophobicContact CB-CD1 4.16Å; L141-L562 HydrophobicContact CD2-CD1 4.14Å; L141-L562 HydrophobicContact CG-CD1 3.97Å; A142-L562 HydrophobicContact CB-CD1 4.14Å; F288-L562 HydrophobicContact CE1-CD2 4.28Å; F288-L562 HydrophobicContact CE1-CG 4.44Å; F288-L562 HydrophobicContact CZ-CD2 3.89Å; F288-L562 HydrophobicContact CZ-CG 3.98Å; V558-L562 HydrophobicContact CG1-CD1 3.88Å; V558-L562 HydrophobicContact CG1-CG 4.47Å; V558-L562 WeakPolarHBondContact O-CB 2.97Å; V558-L562 VanDerWaalsContact O-CG 3.28Å; V558-L562 WeakPolarHBondContact O-CG 3.45Å; V558-L562 PolarHBondContact O-N 3.45Å; R559-L562 PolarHBondContact O-N 2.89Å; L562-N564 VanDerWaalsContact C-N 3.34Å; L562-F565 PolarHBondContact O-N 3.44Å; L562-A566 PolarHBondContact O-N 3.42Å
563	E	91.2	Very high	87.8	Confident	106 Å²	106	50.1 Å²	50.1	50%	0.495	28%	0.279	S	S	.	.	H	α-helix	trans	-64.1	-39.2	174.6	-72	177.8	-171	0	0	111.1	R559 L561 A566 V567	R559-E563 HydrophobicContact CG-CG 4.49Å; R559-E563 WeakPolarHBondContact CG-OE1 3.48Å; R559-E563 IonicContact CZ-OE1 2.65Å; R559-E563 IonicContact NE-OE1 2.63Å; R559-E563 PolarHBondContact NE-OE1 2.97Å; R559-E563 IonicContact NH2-OE1 3.61Å; R559-E563 WeakPolarHBondContact O-CB 3.13Å; R559-E563 WeakPolarHBondContact O-CG 3.32Å; R559-E563 PolarHBondContact O-N 3.41Å; L561-E563 VanDerWaalsContact C-N 3.33Å; L561-E563 PolarHBondContact O-N 3.15Å; E563-A566 PolarHBondContact O-N 2.8Å; E563-V567 PolarHBondContact O-N 3.34Å
564	N	89.9	Confident	88.3	Confident	10 Å²	10	51.8 Å²	51.8	5%	0.053	29%	0.292	C	S	.	.	H	α-helix	trans	-65.4	-41.5	174.1	-90.1	-95.9	0	0	0	113.1	I398 L402 A560 L561 L562 A566 V567 F568	I398-N564 VanDerWaalsContact CG2-OD1 3.23Å; I398-N564 WeakPolarHBondContact CG2-OD1 3.39Å; L402-N564 HydrophobicContact CD1-CB 4.32Å; A560-N564 WeakPolarHBondContact O-CB 3.32Å; A560-N564 PolarHBondContact O-N 3.38Å; A560-N564 PolarHBondContact O-ND2 3.06Å; L561-N564 WeakPolarHBondContact O-CB 3.46Å; L561-N564 PolarHBondContact O-N 3.44Å; L561-N564 VanDerWaalsContact O-N 3.13Å; L562-N564 VanDerWaalsContact C-N 3.34Å; N564-A566 PolarHBondContact O-N 2.91Å; N564-V567 WeakPolarHBondContact O-CA 3.4Å; N564-V567 WeakPolarHBondContact O-CB 3.44Å; N564-V567 PolarHBondContact O-N 3.35Å; N564-F568 HydrophobicContact CB-CD2 4.46Å; N564-F568 HydrophobicContact CB-CE2 4.37Å; N564-F568 VanDerWaalsContact O-CD2 3.25Å; N564-F568 WeakPolarHBondContact O-CD2 3.35Å; N564-F568 PolarHBondContact O-N 3.49Å
565	F	92.1	Very high	89	Confident	0 Å²	0	42.6 Å²	42.6	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-58.9	-35.1	179.3	-80.7	28.2	0	0	0	111.8	I127 L284 L287 F288 V291 L561 L562 R569	I127-F565 HydrophobicContact CD1-CD1 3.69Å; I127-F565 HydrophobicContact CD1-CE1 3.8Å; I127-F565 HydrophobicContact CD1-CG 4.08Å; I127-F565 HydrophobicContact CD1-CZ 4.26Å; I127-F565 HydrophobicContact CG1-CD1 4.31Å; I127-F565 HydrophobicContact CG1-CD2 4.3Å; I127-F565 HydrophobicContact CG1-CE1 4.25Å; I127-F565 HydrophobicContact CG1-CE2 4.23Å; I127-F565 HydrophobicContact CG1-CG 4.34Å; I127-F565 HydrophobicContact CG1-CZ 4.19Å; I127-F565 HydrophobicContact CG2-CB 4.25Å; I127-F565 HydrophobicContact CG2-CD2 4.29Å; I127-F565 HydrophobicContact CG2-CG 4.23Å; L284-F565 HydrophobicContact CD1-CE2 3.82Å; L287-F565 HydrophobicContact CB-CE2 4.02Å; L287-F565 HydrophobicContact CB-CZ 3.75Å; L287-F565 HydrophobicContact CD1-CE2 4.3Å; F288-F565 AromaticContact CD1-CE1 3.88Å; F288-F565 HydrophobicContact CD1-CE1 3.88Å; F288-F565 HydrophobicContact CD1-CE2 4.03Å; F288-F565 AromaticContact CD1-CZ 3.42Å; F288-F565 HydrophobicContact CD1-CZ 3.42Å; F288-F565 VanDerWaalsContact CD1-CZ 3.42Å; F288-F565 HydrophobicContact CE1-CD2 4.45Å; F288-F565 HydrophobicContact CE1-CE1 4.12Å; F288-F565 AromaticContact CE1-CE2 3.86Å; F288-F565 HydrophobicContact CE1-CE2 3.86Å; F288-F565 AromaticContact CE1-CZ 3.68Å; F288-F565 HydrophobicContact CE1-CZ 3.68Å; V291-F565 HydrophobicContact CB-CE1 4.43Å; V291-F565 HydrophobicContact CG2-CE1 3.92Å; L561-F565 WeakPolarHBondContact O-CD1 3.25Å; L561-F565 PolarHBondContact O-N 3.22Å; L562-F565 PolarHBondContact O-N 3.44Å; F565-R569 WeakPolarHBondContact O-CG 3.42Å; F565-R569 PolarHBondContact O-N 2.65Å
566	A	86.5	Confident	89.5	Confident	64 Å²	64	36.8 Å²	36.8	53%	0.529	23%	0.226	S	C	.	.	H	α-helix	trans	-66.5	-36.8	173.2	0	0	0	0	0	112.5	L562 E563 N564 A570	L562-A566 PolarHBondContact O-N 3.42Å; E563-A566 PolarHBondContact O-N 2.8Å; N564-A566 PolarHBondContact O-N 2.91Å; A566-A570 PolarHBondContact O-N 2.84Å
567	V	86.1	Confident	89.7	Confident	57 Å²	57	38.2 Å²	38.2	35%	0.345	24%	0.235	S	C	.	.	H	α-helix	trans	-68.2	-45.5	174.8	-174.8	0	0	0	0	110.8	M395 I398 E563 N564 R569 A570	M395-V567 HydrophobicContact CE-CB 4.33Å; M395-V567 HydrophobicContact CE-CG1 3.73Å; M395-V567 HydrophobicContact SD-CG1 3.47Å; M395-V567 WeakPolarHBondContact SD-CG1 3.44Å; I398-V567 HydrophobicContact CD1-CG1 4.33Å; E563-V567 PolarHBondContact O-N 3.34Å; N564-V567 WeakPolarHBondContact O-CA 3.4Å; N564-V567 WeakPolarHBondContact O-CB 3.44Å; N564-V567 PolarHBondContact O-N 3.35Å; V567-R569 VanDerWaalsContact C-N 3.31Å; V567-R569 PolarHBondContact O-N 3.06Å; V567-A570 WeakPolarHBondContact O-CB 3.01Å; V567-A570 PolarHBondContact O-N 3.33Å
568	F	86.3	Confident	89.9	Confident	1 Å²	1	40 Å²	40	0%	0.004	25%	0.245	C	C	.	.	H	α-helix	trans	-54.2	-45.2	177.1	-84.1	-74.2	0	0	0	113	F120 I123 I127 M395 M399 N564 A570 I571	F120-F568 AromaticContact CD1-CE1 3.84Å; F120-F568 HydrophobicContact CD1-CE1 3.84Å; F120-F568 AromaticContact CE1-CE1 3.62Å; F120-F568 HydrophobicContact CE1-CE1 3.62Å; F120-F568 HydrophobicContact CE1-CZ 4.26Å; I123-F568 HydrophobicContact CG2-CD1 4.17Å; I123-F568 HydrophobicContact CG2-CE1 3.77Å; I123-F568 HydrophobicContact CG2-CE2 4.34Å; I123-F568 HydrophobicContact CG2-CZ 3.88Å; I127-F568 HydrophobicContact CD1-CB 4.12Å; I127-F568 HydrophobicContact CD1-CD2 3.78Å; I127-F568 HydrophobicContact CD1-CE2 4.37Å; I127-F568 HydrophobicContact CD1-CG 3.95Å; I127-F568 HydrophobicContact CG2-CB 4.31Å; M395-F568 HydrophobicContact CE-CD1 4.23Å; M395-F568 HydrophobicContact CE-CD2 4.47Å; M395-F568 HydrophobicContact CE-CE1 4.15Å; M395-F568 HydrophobicContact CE-CE2 4.37Å; M395-F568 HydrophobicContact CE-CG 4.38Å; M395-F568 HydrophobicContact CE-CZ 4.21Å; M399-F568 HydrophobicContact CE-CE2 4.36Å; M399-F568 HydrophobicContact CE-CZ 3.7Å; M399-F568 HydrophobicContact CG-CZ 4.06Å; M399-F568 HydrophobicContact SD-CE1 4.38Å; M399-F568 HydrophobicContact SD-CZ 3.65Å; N564-F568 HydrophobicContact CB-CD2 4.46Å; N564-F568 HydrophobicContact CB-CE2 4.37Å; N564-F568 VanDerWaalsContact O-CD2 3.25Å; N564-F568 WeakPolarHBondContact O-CD2 3.35Å; N564-F568 PolarHBondContact O-N 3.49Å; F568-A570 PolarHBondContact O-N 2.83Å; F568-I571 HydrophobicContact CD1-CD1 4.13Å; F568-I571 WeakPolarHBondContact O-CB 3.41Å; F568-I571 PolarHBondContact O-N 3.2Å
569	R	87.4	Confident	90	Very high	80 Å²	80	40 Å²	40	30%	0.302	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.6	-11.9	179	-66.9	178.1	-175.7	129	-3.5	114.3	I127 E138 F565 V567	I127-R569 HydrophobicContact CG2-CG 3.77Å; I127-R569 PolarHBondContact O-NE 2.96Å; I127-R569 PolarHBondContact O-NH2 3Å; E138-R569 IonicContact OE1-CZ 2.82Å; E138-R569 IonicContact OE1-NH1 3.16Å; E138-R569 IonicContact OE1-NH2 3.17Å; E138-R569 PolarHBondContact OE1-NH2 3.45Å; E138-R569 IonicContact OE2-CZ 2.72Å; E138-R569 IonicContact OE2-NH1 3.9Å; E138-R569 PolarHBondContact OE2-NH1 3.46Å; E138-R569 IonicContact OE2-NH2 2.67Å; E138-R569 PolarHBondContact OE2-NH2 3.35Å; F565-R569 WeakPolarHBondContact O-CG 3.42Å; F565-R569 PolarHBondContact O-N 2.65Å; V567-R569 VanDerWaalsContact C-N 3.31Å; V567-R569 PolarHBondContact O-N 3.06Å
570	A	88.1	Confident	90.1	Very high	77 Å²	77	39.6 Å²	39.6	64%	0.636	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.2	-13.8	174.6	0	0	0	0	0	113	A566 V567 F568	A566-A570 PolarHBondContact O-N 2.84Å; V567-A570 WeakPolarHBondContact O-CB 3.01Å; V567-A570 PolarHBondContact O-N 3.33Å; F568-A570 PolarHBondContact O-N 2.83Å
571	I	84.9	Confident	90.2	Very high	13 Å²	13	42.4 Å²	42.4	7%	0.067	26%	0.257	C	S	.	.	S	Bend	trans	-74.8	130.9	-179.9	-55.7	167.2	0	0	0	109.6	Y124 M395 F568 T575	Y124-I571 WeakPolarHBondContact CE2-O 3.5Å; M395-I571 HydrophobicContact CE-CD1 3.91Å; M395-I571 HydrophobicContact CG-CD1 3.64Å; M395-I571 HydrophobicContact CG-CG1 4.42Å; M395-I571 HydrophobicContact SD-CD1 3.78Å; M395-I571 HydrophobicContact SD-CG1 4.3Å; F568-I571 HydrophobicContact CD1-CD1 4.13Å; F568-I571 WeakPolarHBondContact O-CB 3.41Å; F568-I571 PolarHBondContact O-N 3.2Å; I571-T575 HydrophobicContact CG2-CG2 4Å
572	P	88.1	Confident	90.2	Very high	61 Å²	61	42.4 Å²	42.4	40%	0.396	26%	0.257	S	S	.	.			trans	-64.7	134.4	169.7	-20.7	33.7	0	0	0	111.4	S574 T575	P572-S574 WeakPolarHBondContact CB-OG 3.39Å; P572-S574 PolarHBondContact O-N 3.21Å; P572-T575 VanDerWaalsContact O-CB 3.29Å; P572-T575 WeakPolarHBondContact O-CB 3.37Å; P572-T575 PolarHBondContact O-N 3.04Å
573	S	86.3	Confident	90.2	Very high	79 Å²	79	41.4 Å²	41.4	55%	0.552	25%	0.251	S	S	*	.	H	α-helix	trans	-56.7	-26.3	174.4	56.9	0	0	0	0	113.5	T575 I576 A577	S573-T575 PolarHBondContact O-N 2.95Å; S573-I576 PolarHBondContact O-N 2.87Å; S573-A577 PolarHBondContact O-N 2.82Å
574	S	90.6	Very high	90.2	Very high	61 Å²	61	38.3 Å²	38.3	43%	0.427	24%	0.238	S	C	.	.	H	α-helix	trans	-59.8	-28.6	171.2	54.7	0	0	0	0	113.4	P572 N578	P572-S574 WeakPolarHBondContact CB-OG 3.39Å; P572-S574 PolarHBondContact O-N 3.21Å; S574-N578 WeakPolarHBondContact O-CB 3.43Å; S574-N578 PolarHBondContact O-N 3.15Å; S574-N578 PolarHBondContact O-ND2 3.4Å
575	T	91.6	Very high	90.2	Very high	5 Å²	5	38 Å²	38	3%	0.031	24%	0.238	C	C	.	.	H	α-helix	trans	-66.8	-39.6	178.2	-69	0	0	0	0	111.5	E391 I571 P572 S573 T579	E391-T575 HydrophobicContact CB-CG2 3.94Å; E391-T575 HydrophobicContact CG-CG2 4.01Å; E391-T575 WeakPolarHBondContact OE2-CB 3.27Å; E391-T575 WeakPolarHBondContact OE2-CG2 3.4Å; E391-T575 PolarHBondContact OE2-OG1 3.43Å; I571-T575 HydrophobicContact CG2-CG2 4Å; P572-T575 VanDerWaalsContact O-CB 3.29Å; P572-T575 WeakPolarHBondContact O-CB 3.37Å; P572-T575 PolarHBondContact O-N 3.04Å; S573-T575 PolarHBondContact O-N 2.95Å; T575-T579 VanDerWaalsContact O-CB 3.29Å; T575-T579 WeakPolarHBondContact O-CB 3.47Å; T575-T579 PolarHBondContact O-N 2.71Å; T575-T579 PolarHBondContact O-OG1 3.36Å
576	I	90.1	Very high	90.1	Very high	6 Å²	6	38 Å²	38	3%	0.031	24%	0.238	C	C	.	.	H	α-helix	trans	-67	-51.2	175.6	-52.7	-178.1	0	0	0	109.8	D121 Y124 M392 S573 N578 T579 K580	D121-I576 HydrophobicContact CB-CG2 3.93Å; Y124-I576 VanDerWaalsContact CB-CD1 3.41Å; Y124-I576 HydrophobicContact CD1-CD1 3.69Å; Y124-I576 HydrophobicContact CD2-CD1 3.94Å; Y124-I576 HydrophobicContact CE1-CD1 4.48Å; Y124-I576 HydrophobicContact CG-CD1 3.39Å; M392-I576 HydrophobicContact CE-CB 4.43Å; M392-I576 HydrophobicContact CE-CG1 4.17Å; M392-I576 HydrophobicContact CE-CG2 4.5Å; S573-I576 PolarHBondContact O-N 2.87Å; I576-N578 PolarHBondContact O-N 3.18Å; I576-T579 PolarHBondContact O-N 2.86Å; I576-K580 WeakPolarHBondContact O-CB 3.25Å; I576-K580 PolarHBondContact O-N 2.99Å
577	A	92.4	Very high	90.2	Very high	55 Å²	55	35.6 Å²	35.6	46%	0.455	22%	0.216	S	C	.	.	H	α-helix	trans	-60	-43.6	179.6	0	0	0	0	0	112.9	S573 K580 L581	S573-A577 PolarHBondContact O-N 2.82Å; A577-K580 WeakPolarHBondContact O-CB 3.31Å; A577-K580 PolarHBondContact O-N 3.39Å; A577-L581 WeakPolarHBondContact O-CG 3.45Å; A577-L581 PolarHBondContact O-N 2.92Å
578	N	94.9	Very high	90.3	Very high	37 Å²	37	36.8 Å²	36.8	20%	0.198	22%	0.221	C	C	.	.	H	α-helix	trans	-67.1	-40.8	177.6	-73.7	-12.2	0	0	0	112.1	N385 S388 S574 I576 K580 L581 V582	N385-N578 HydrophobicContact CB-CB 4.48Å; S388-N578 WeakPolarHBondContact OG-CB 3.31Å; S388-N578 PolarHBondContact OG-ND2 3.23Å; S574-N578 WeakPolarHBondContact O-CB 3.43Å; S574-N578 PolarHBondContact O-N 3.15Å; S574-N578 PolarHBondContact O-ND2 3.4Å; I576-N578 PolarHBondContact O-N 3.18Å; N578-K580 VanDerWaalsContact C-N 3.29Å; N578-K580 PolarHBondContact O-N 2.87Å; N578-L581 WeakPolarHBondContact O-CB 3.44Å; N578-L581 PolarHBondContact O-N 2.97Å; N578-V582 PolarHBondContact O-N 3.21Å
579	T	93.8	Very high	90.4	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-63.1	-39.2	174.7	-57	0	0	0	0	110.7	T117 S388 L389 M392 T575 I576 L581 V582 V583	T117-T579 HydrophobicContact CG2-CG2 4.46Å; S388-T579 PolarHBondContact O-OG1 3.18Å; L389-T579 HydrophobicContact CD1-CG2 4.01Å; M392-T579 HydrophobicContact CB-CG2 4.1Å; M392-T579 HydrophobicContact CE-CG2 4.2Å; M392-T579 HydrophobicContact CG-CG2 4.1Å; T575-T579 VanDerWaalsContact O-CB 3.29Å; T575-T579 WeakPolarHBondContact O-CB 3.47Å; T575-T579 PolarHBondContact O-N 2.71Å; T575-T579 PolarHBondContact O-OG1 3.36Å; I576-T579 PolarHBondContact O-N 2.86Å; T579-L581 PolarHBondContact O-N 3.41Å; T579-V582 WeakPolarHBondContact O-CB 3.39Å; T579-V582 PolarHBondContact O-N 3.38Å; T579-V582 VanDerWaalsContact O-N 3.09Å; T579-V583 PolarHBondContact O-N 3.4Å
580	K	93.6	Very high	90.5	Very high	75 Å²	75	34.2 Å²	34.2	33%	0.326	21%	0.212	S	C	.	.	H	α-helix	trans	-60	-42.9	173	-179.1	161.2	176.6	53.4	0	112.5	T117 I576 A577 N578 V582 V583 D584	T117-K580 HydrophobicContact CG2-CB 4.09Å; I576-K580 WeakPolarHBondContact O-CB 3.25Å; I576-K580 PolarHBondContact O-N 2.99Å; A577-K580 WeakPolarHBondContact O-CB 3.31Å; A577-K580 PolarHBondContact O-N 3.39Å; N578-K580 VanDerWaalsContact C-N 3.29Å; N578-K580 PolarHBondContact O-N 2.87Å; K580-V582 PolarHBondContact O-N 3.35Å; K580-V583 PolarHBondContact O-N 3.19Å; K580-D584 VanDerWaalsContact CE-OD2 3.25Å; K580-D584 WeakPolarHBondContact CE-OD2 3.18Å; K580-D584 VanDerWaalsContact CG-OD2 3.25Å; K580-D584 WeakPolarHBondContact CG-OD2 3.39Å; K580-D584 IonicContact NZ-OD1 3.67Å; K580-D584 PolarHBondContact NZ-OD1 2.67Å; K580-D584 IonicContact NZ-OD2 3.74Å; K580-D584 PolarHBondContact NZ-OD2 3.26Å; K580-D584 VanDerWaalsContact O-CB 3.28Å; K580-D584 WeakPolarHBondContact O-CB 3.24Å; K580-D584 PolarHBondContact O-N 3.15Å
581	L	93.9	Very high	90.3	Very high	82 Å²	82	36.9 Å²	36.9	43%	0.429	21%	0.211	S	C	.	.	H	α-helix	trans	-61.9	-23.4	174.1	-68.2	174.8	0	0	0	114.4	S379 A577 N578 T579 G585	S379-L581 PolarHBondContact OG-O 3.43Å; A577-L581 WeakPolarHBondContact O-CG 3.45Å; A577-L581 PolarHBondContact O-N 2.92Å; N578-L581 WeakPolarHBondContact O-CB 3.44Å; N578-L581 PolarHBondContact O-N 2.97Å; T579-L581 PolarHBondContact O-N 3.41Å; L581-G585 PolarHBondContact O-N 3.37Å
582	V	93.8	Very high	90.6	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-78.1	-52.3	172.6	177.5	0	0	0	0	110.1	I308 I312 T380 N385 L389 N578 T579 K580 G585 I586	I308-V582 HydrophobicContact CG2-CG1 3.74Å; I312-V582 HydrophobicContact CD1-CG1 3.58Å; T380-V582 HydrophobicContact CG2-CB 4.47Å; T380-V582 HydrophobicContact CG2-CG1 3.8Å; N385-V582 HydrophobicContact CB-CG2 3.71Å; L389-V582 HydrophobicContact CD1-CG1 4.43Å; L389-V582 HydrophobicContact CD2-CG1 4.3Å; N578-V582 PolarHBondContact O-N 3.21Å; T579-V582 WeakPolarHBondContact O-CB 3.39Å; T579-V582 PolarHBondContact O-N 3.38Å; T579-V582 VanDerWaalsContact O-N 3.09Å; K580-V582 PolarHBondContact O-N 3.35Å; V582-G585 PolarHBondContact O-N 3.18Å; V582-I586 WeakPolarHBondContact O-CG1 3.38Å; V582-I586 PolarHBondContact O-N 3.18Å
583	V	92.2	Very high	90.7	Very high	0 Å²	0	36 Å²	36	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-61.7	-46.8	-178.1	165.7	0	0	0	0	112	A113 T117 L305 I308 T579 K580 G585 I586 T587	A113-V583 HydrophobicContact CB-CG1 3.73Å; T117-V583 HydrophobicContact CG2-CB 3.91Å; T117-V583 HydrophobicContact CG2-CG1 4.13Å; T117-V583 HydrophobicContact CG2-CG2 3.79Å; L305-V583 HydrophobicContact CD2-CG2 4.25Å; I308-V583 HydrophobicContact CD1-CG2 4.13Å; T579-V583 PolarHBondContact O-N 3.4Å; K580-V583 PolarHBondContact O-N 3.19Å; V583-G585 VanDerWaalsContact C-N 3.34Å; V583-I586 PolarHBondContact O-N 2.83Å; V583-T587 VanDerWaalsContact O-CB 3.27Å; V583-T587 WeakPolarHBondContact O-CB 3.34Å; V583-T587 PolarHBondContact O-N 2.8Å; V583-T587 PolarHBondContact O-OG1 3.38Å
584	D	91.4	Very high	90.9	Very high	41 Å²	41	37 Å²	37	22%	0.219	20%	0.196	C	C	.	.	H	α-helix	trans	-61.8	-44.8	175.9	-66.5	-5.9	0	0	0	109.6	K580 I586 T587 D588	K580-D584 VanDerWaalsContact CE-OD2 3.25Å; K580-D584 WeakPolarHBondContact CE-OD2 3.18Å; K580-D584 VanDerWaalsContact CG-OD2 3.25Å; K580-D584 WeakPolarHBondContact CG-OD2 3.39Å; K580-D584 IonicContact NZ-OD1 3.67Å; K580-D584 PolarHBondContact NZ-OD1 2.67Å; K580-D584 IonicContact NZ-OD2 3.74Å; K580-D584 PolarHBondContact NZ-OD2 3.26Å; K580-D584 VanDerWaalsContact O-CB 3.28Å; K580-D584 WeakPolarHBondContact O-CB 3.24Å; K580-D584 PolarHBondContact O-N 3.15Å; D584-I586 PolarHBondContact O-N 3.12Å; D584-T587 PolarHBondContact O-N 2.94Å; D584-D588 WeakPolarHBondContact O-CB 3.4Å; D584-D588 VanDerWaalsContact O-CG 3.31Å; D584-D588 PolarHBondContact O-N 3.49Å
585	G	91	Very high	90.8	Very high	4 Å²	4	35.9 Å²	35.9	4%	0.041	19%	0.191	C	C	.	.	H	α-helix	trans	-59.7	-41.2	178.7	0	0	0	0	0	114.1	L581 V582 V583 S589	L581-G585 PolarHBondContact O-N 3.37Å; V582-G585 PolarHBondContact O-N 3.18Å; V583-G585 VanDerWaalsContact C-N 3.34Å; G585-S589 WeakPolarHBondContact O-CB 3.46Å; G585-S589 PolarHBondContact O-N 3.36Å; G585-S589 PolarHBondContact O-OG 2.86Å
586	I	89.2	Confident	90.7	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-71.3	-43.3	174	-61.4	-61	0	0	0	111.4	V108 I308 I312 W377 T380 V582 V583 D584 S589 Q590	V108-I586 HydrophobicContact CG1-CG2 4.35Å; V108-I586 HydrophobicContact CG2-CG2 4.25Å; I308-I586 HydrophobicContact CG1-CG1 4.37Å; I308-I586 HydrophobicContact CG1-CG2 4.26Å; I308-I586 HydrophobicContact CG2-CG1 4.04Å; I312-I586 HydrophobicContact CG1-CD1 4.5Å; W377-I586 HydrophobicContact CD2-CD1 4.46Å; W377-I586 HydrophobicContact CE3-CD1 4.42Å; W377-I586 HydrophobicContact CH2-CD1 3.29Å; W377-I586 HydrophobicContact CZ2-CD1 3.24Å; W377-I586 HydrophobicContact CZ3-CD1 3.91Å; T380-I586 HydrophobicContact CG2-CD1 3.85Å; T380-I586 HydrophobicContact CG2-CG1 4.13Å; V582-I586 WeakPolarHBondContact O-CG1 3.38Å; V582-I586 PolarHBondContact O-N 3.18Å; V583-I586 PolarHBondContact O-N 2.83Å; D584-I586 PolarHBondContact O-N 3.12Å; I586-S589 WeakPolarHBondContact O-CB 3.43Å; I586-S589 PolarHBondContact O-N 2.95Å; I586-Q590 PolarHBondContact O-N 2.7Å
587	T	88.8	Confident	90.7	Very high	14 Å²	14	36.9 Å²	36.9	9%	0.086	19%	0.194	C	C	.	.	H	α-helix	trans	-63.5	-49.4	-178.1	-67.3	0	0	0	0	111.8	S110 V583 D584 S589 Q590	S110-T587 WeakPolarHBondContact OG-CG2 3.46Å; S110-T587 PolarHBondContact OG-OG1 3.43Å; V583-T587 VanDerWaalsContact O-CB 3.27Å; V583-T587 WeakPolarHBondContact O-CB 3.34Å; V583-T587 PolarHBondContact O-N 2.8Å; V583-T587 PolarHBondContact O-OG1 3.38Å; D584-T587 PolarHBondContact O-N 2.94Å; T587-S589 PolarHBondContact O-N 3.31Å; T587-Q590 WeakPolarHBondContact O-CB 3.37Å; T587-Q590 PolarHBondContact O-N 3.37Å; T587-Q590 VanDerWaalsContact O-N 3.08Å
588	D	88.1	Confident	90.6	Very high	81 Å²	81	36.9 Å²	36.9	43%	0.433	19%	0.191	S	C	.	.	H	α-helix	trans	-57.3	-33.1	175.1	-75.3	-9.2	0	0	0	112.1	D584 Q590 K592	D584-D588 WeakPolarHBondContact O-CB 3.4Å; D584-D588 VanDerWaalsContact O-CG 3.31Å; D584-D588 PolarHBondContact O-N 3.49Å; D588-Q590 VanDerWaalsContact C-N 3.27Å; D588-Q590 PolarHBondContact O-N 3.09Å; D588-K592 WeakPolarHBondContact O-CG 3.4Å; D588-K592 PolarHBondContact O-N 2.68Å
589	S	88.3	Confident	90.3	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-69.5	-22	-179.1	-64.2	0	0	0	0	113.3	W377 G585 I586 T587 L593	W377-S589 PolarHBondContact NE1-OG 3.16Å; G585-S589 WeakPolarHBondContact O-CB 3.46Å; G585-S589 PolarHBondContact O-N 3.36Å; G585-S589 PolarHBondContact O-OG 2.86Å; I586-S589 WeakPolarHBondContact O-CB 3.43Å; I586-S589 PolarHBondContact O-N 2.95Å; T587-S589 PolarHBondContact O-N 3.31Å; S589-L593 WeakPolarHBondContact O-CB 3.42Å; S589-L593 PolarHBondContact O-N 2.99Å
590	Q	88.9	Confident	90	Very high	28 Å²	28	36.6 Å²	36.6	13%	0.131	19%	0.189	C	C	.	.	H	α-helix	trans	-64	-50.7	175.7	-61	-169.8	-33	0	0	111.8	M105 V108 S110 I586 T587 D588 K592 L593 Q594	M105-Q590 WeakPolarHBondContact O-CG 3.43Å; M105-Q590 PolarHBondContact O-NE2 3.49Å; V108-Q590 PolarHBondContact O-NE2 3.23Å; S110-Q590 PolarHBondContact OG-OE1 3.04Å; S110-Q590 VanDerWaalsContact OG-OE1 3.1Å; I586-Q590 PolarHBondContact O-N 2.7Å; T587-Q590 WeakPolarHBondContact O-CB 3.37Å; T587-Q590 PolarHBondContact O-N 3.37Å; T587-Q590 VanDerWaalsContact O-N 3.08Å; D588-Q590 VanDerWaalsContact C-N 3.27Å; D588-Q590 PolarHBondContact O-N 3.09Å; Q590-K592 VanDerWaalsContact C-N 3.31Å; Q590-K592 PolarHBondContact O-N 2.71Å; Q590-L593 PolarHBondContact O-N 3.48Å; Q590-Q594 WeakPolarHBondContact O-CB 3.46Å; Q590-Q594 PolarHBondContact O-N 2.72Å
591	H	85.5	Confident	89.7	Confident	133 Å²	133	38 Å²	38	62%	0.616	20%	0.199	S	C	*	.	H	α-helix	trans	-64.9	-37.6	179	-68	-56.7	0	0	0	111.6	Q594 A595	H591-Q594 PolarHBondContact O-N 2.9Å; H591-A595 PolarHBondContact O-N 3.08Å
592	K	90.3	Very high	89.3	Confident	55 Å²	55	40.1 Å²	40.1	24%	0.239	21%	0.205	C	C	.	.	H	α-helix	trans	-66.9	-42.1	176.3	-66	172.4	175	-170.6	0	112.1	N372 F373 S376 D588 Q590 Q594 A595 L596	N372-K592 VanDerWaalsContact O-CD 3.31Å; N372-K592 WeakPolarHBondContact O-CD 3.21Å; N372-K592 WeakPolarHBondContact O-CE 3.22Å; N372-K592 PolarHBondContact O-NZ 2.95Å; F373-K592 HydrophobicContact CB-CB 4.38Å; F373-K592 HydrophobicContact CD2-CB 4.25Å; S376-K592 PolarHBondContact OG-NZ 3.27Å; D588-K592 WeakPolarHBondContact O-CG 3.4Å; D588-K592 PolarHBondContact O-N 2.68Å; Q590-K592 VanDerWaalsContact C-N 3.31Å; Q590-K592 PolarHBondContact O-N 2.71Å; K592-Q594 VanDerWaalsContact C-N 3.34Å; K592-Q594 PolarHBondContact O-N 2.87Å; K592-A595 WeakPolarHBondContact O-CB 3.09Å; K592-A595 PolarHBondContact O-N 3.32Å; K592-L596 WeakPolarHBondContact O-CG 3.45Å; K592-L596 PolarHBondContact O-N 3.04Å
593	L	91.1	Very high	88.9	Confident	0 Å²	0	40.1 Å²	40.1	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-65.1	-36.8	174.1	-180	55	0	0	0	112.3	I91 L95 L102 M105 M106 F373 S589 Q590 L596 R597	I91-L593 HydrophobicContact CG2-CD1 3.68Å; L95-L593 HydrophobicContact CD1-CD1 4.43Å; L102-L593 HydrophobicContact CB-CD2 4.01Å; L102-L593 HydrophobicContact CD1-CD1 4.39Å; L102-L593 HydrophobicContact CD2-CD1 3.91Å; L102-L593 HydrophobicContact CD2-CD2 4.07Å; L102-L593 WeakPolarHBondContact O-CD2 3.45Å; M105-L593 HydrophobicContact CB-CD2 4.41Å; M105-L593 HydrophobicContact SD-CD2 4.16Å; M106-L593 HydrophobicContact CG-CD2 3.96Å; M106-L593 HydrophobicContact CG-CG 4.4Å; M106-L593 HydrophobicContact SD-CD2 4.49Å; M106-L593 HydrophobicContact SD-CG 4.4Å; F373-L593 HydrophobicContact CD2-CB 4.36Å; F373-L593 HydrophobicContact CE2-CB 4.11Å; S589-L593 WeakPolarHBondContact O-CB 3.42Å; S589-L593 PolarHBondContact O-N 2.99Å; Q590-L593 PolarHBondContact O-N 3.48Å; L593-L596 PolarHBondContact O-N 3.46Å; L593-R597 WeakPolarHBondContact O-CG 3.33Å; L593-R597 PolarHBondContact O-N 2.86Å
594	Q	88.8	Confident	88.6	Confident	99 Å²	99	45.3 Å²	45.3	46%	0.463	23%	0.228	S	C	.	.	H	α-helix	trans	-67.1	-36.1	173.6	-167.5	175.2	18.6	0	0	112.2	M106 Q590 H591 K592 S598	M106-Q594 HydrophobicContact CE-CB 4.38Å; M106-Q594 HydrophobicContact CE-CG 4.42Å; Q590-Q594 WeakPolarHBondContact O-CB 3.46Å; Q590-Q594 PolarHBondContact O-N 2.72Å; H591-Q594 PolarHBondContact O-N 2.9Å; K592-Q594 VanDerWaalsContact C-N 3.34Å; K592-Q594 PolarHBondContact O-N 2.87Å; Q594-S598 WeakPolarHBondContact O-CB 3.28Å; Q594-S598 PolarHBondContact O-N 3.25Å; Q594-S598 PolarHBondContact O-OG 3.38Å
595	A	88.5	Confident	88.2	Confident	39 Å²	39	47.8 Å²	47.8	32%	0.322	25%	0.248	S	C	.	.	H	α-helix	trans	-63.7	-47.3	171.7	0	0	0	0	0	111.6	H591 K592 R597 S598 M599	H591-A595 PolarHBondContact O-N 3.08Å; K592-A595 WeakPolarHBondContact O-CB 3.09Å; K592-A595 PolarHBondContact O-N 3.32Å; A595-R597 PolarHBondContact O-N 3.46Å; A595-S598 CarbonylContact O-C 3.59Å; A595-S598 WeakPolarHBondContact O-CA 3.37Å; A595-S598 WeakPolarHBondContact O-CB 3.32Å; A595-S598 PolarHBondContact O-N 2.88Å; A595-S598 VanDerWaalsContact O-N 3.12Å; A595-M599 PolarHBondContact O-N 3.04Å
596	L	91	Very high	87.9	Confident	1 Å²	1	49.2 Å²	49.2	1%	0.005	26%	0.256	C	S	.	.	H	α-helix	trans	-55	-50.2	174.9	-77.2	169.4	0	0	0	112.7	I91 L95 F366 D369 I370 F373 K592 L593 S598 M599 A600	I91-L596 HydrophobicContact CD1-CB 4.1Å; I91-L596 HydrophobicContact CG2-CD1 4.47Å; L95-L596 HydrophobicContact CD1-CD1 4.18Å; F366-L596 HydrophobicContact CD2-CD2 3.83Å; F366-L596 HydrophobicContact CE2-CD2 3.75Å; D369-L596 HydrophobicContact CB-CD2 3.49Å; D369-L596 VanDerWaalsContact CB-CD2 3.49Å; D369-L596 HydrophobicContact CB-CG 3.96Å; I370-L596 HydrophobicContact CB-CD2 4.46Å; I370-L596 HydrophobicContact CG1-CD2 3.57Å; F373-L596 HydrophobicContact CB-CD1 4.17Å; F373-L596 HydrophobicContact CD2-CD1 4.41Å; F373-L596 HydrophobicContact CG-CD1 4.45Å; K592-L596 WeakPolarHBondContact O-CG 3.45Å; K592-L596 PolarHBondContact O-N 3.04Å; L593-L596 PolarHBondContact O-N 3.46Å; L596-S598 VanDerWaalsContact C-N 3.31Å; L596-S598 PolarHBondContact O-N 2.94Å; L596-M599 WeakPolarHBondContact O-CB 3.17Å; L596-M599 PolarHBondContact O-N 3.37Å; L596-M599 VanDerWaalsContact O-N 3.11Å; L596-A600 PolarHBondContact O-N 3.48Å
597	R	90.4	Very high	87.5	Confident	31 Å²	31	55.9 Å²	55.9	12%	0.117	29%	0.291	C	S	.	.	H	α-helix	trans	-58.1	-44	175.1	-76.1	174.9	161.9	-176.6	-7.1	111.9	D88 I91 M106 L593 A595 M599 A600 L601	D88-R597 IonicContact OD1-CZ 3.44Å; D88-R597 IonicContact OD1-NE 3.32Å; D88-R597 PolarHBondContact OD1-NE 3.37Å; D88-R597 IonicContact OD1-NH2 2.71Å; D88-R597 PolarHBondContact OD1-NH2 3.05Å; D88-R597 IonicContact OD2-CZ 2.68Å; D88-R597 IonicContact OD2-NE 3.61Å; D88-R597 IonicContact OD2-NH2 3.62Å; D88-R597 PolarHBondContact OD2-NH2 2.64Å; I91-R597 HydrophobicContact CD1-CB 4.48Å; I91-R597 HydrophobicContact CD1-CG 3.9Å; M106-R597 PolarHBondContact SD-NH1 3.06Å; L593-R597 WeakPolarHBondContact O-CG 3.33Å; L593-R597 PolarHBondContact O-N 2.86Å; A595-R597 PolarHBondContact O-N 3.46Å; R597-M599 VanDerWaalsContact C-N 3.27Å; R597-M599 PolarHBondContact O-N 2.85Å; R597-A600 PolarHBondContact O-N 3.28Å; R597-L601 WeakPolarHBondContact O-CB 3.39Å; R597-L601 VanDerWaalsContact O-CG 3.29Å; R597-L601 WeakPolarHBondContact O-CG 3.48Å; R597-L601 PolarHBondContact O-N 3.25Å
598	S	89.4	Confident	87.4	Confident	55 Å²	55	56.4 Å²	56.4	39%	0.385	30%	0.3	S	S	.	.	H	α-helix	trans	-65.1	-30.1	177.5	-57.6	0	0	0	0	112.6	Q594 A595 L596 K602	Q594-S598 WeakPolarHBondContact O-CB 3.28Å; Q594-S598 PolarHBondContact O-N 3.25Å; Q594-S598 PolarHBondContact O-OG 3.38Å; A595-S598 CarbonylContact O-C 3.59Å; A595-S598 WeakPolarHBondContact O-CA 3.37Å; A595-S598 WeakPolarHBondContact O-CB 3.32Å; A595-S598 PolarHBondContact O-N 2.88Å; A595-S598 VanDerWaalsContact O-N 3.12Å; L596-S598 VanDerWaalsContact C-N 3.31Å; L596-S598 PolarHBondContact O-N 2.94Å; S598-K602 WeakPolarHBondContact O-CG 3.38Å; S598-K602 PolarHBondContact O-N 2.94Å
599	M	87.8	Confident	87.4	Confident	31 Å²	31	58.6 Å²	58.6	15%	0.153	30%	0.302	C	S	.	.	H	α-helix	trans	-74.8	-48.2	175.8	-160.5	63.8	67.7	0	0	111.6	F366 A595 L596 R597 L601 K602 M603	F366-M599 HydrophobicContact CB-CG 4.12Å; F366-M599 HydrophobicContact CD2-CB 4.06Å; F366-M599 HydrophobicContact CD2-CG 4.14Å; A595-M599 PolarHBondContact O-N 3.04Å; L596-M599 WeakPolarHBondContact O-CB 3.17Å; L596-M599 PolarHBondContact O-N 3.37Å; L596-M599 VanDerWaalsContact O-N 3.11Å; R597-M599 VanDerWaalsContact C-N 3.27Å; R597-M599 PolarHBondContact O-N 2.85Å; M599-L601 VanDerWaalsContact C-N 3.27Å; M599-L601 PolarHBondContact O-N 2.94Å; M599-K602 WeakPolarHBondContact O-CA 3.24Å; M599-K602 WeakPolarHBondContact O-CB 3.47Å; M599-K602 PolarHBondContact O-N 2.7Å; M599-K602 HydrophobicContact SD-CD 4.21Å; M599-M603 WeakPolarHBondContact O-CG 3.46Å; M599-M603 PolarHBondContact O-N 2.68Å
600	A	88.4	Confident	87.5	Confident	0 Å²	0	61.1 Å²	61.1	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-60.1	-36.4	177	0	0	0	0	0	112.4	F80 I91 F366 L596 R597 K602 M603 K604	F80-A600 HydrophobicContact CZ-CB 4.35Å; I91-A600 HydrophobicContact CD1-CB 4.16Å; F366-A600 HydrophobicContact CE2-CB 4.35Å; L596-A600 PolarHBondContact O-N 3.48Å; R597-A600 PolarHBondContact O-N 3.28Å; A600-K602 VanDerWaalsContact C-N 3.33Å; A600-K602 PolarHBondContact O-N 2.96Å; A600-M603 PolarHBondContact O-N 2.82Å; A600-K604 PolarHBondContact O-N 3.23Å; A600-K604 VanDerWaalsContact O-N 3.1Å
601	L	86.4	Confident	87.4	Confident	105 Å²	105	59.8 Å²	59.8	55%	0.55	31%	0.308	S	S	.	.	H	α-helix	trans	-65.6	-31.2	172.5	-73	171.4	0	0	0	113.6	R597 M599 S605	R597-L601 WeakPolarHBondContact O-CB 3.39Å; R597-L601 VanDerWaalsContact O-CG 3.29Å; R597-L601 WeakPolarHBondContact O-CG 3.48Å; R597-L601 PolarHBondContact O-N 3.25Å; M599-L601 VanDerWaalsContact C-N 3.27Å; M599-L601 PolarHBondContact O-N 2.94Å; L601-S605 PolarHBondContact O-OG 3Å; L601-S605 VanDerWaalsContact O-OG 3.06Å
602	K	86.8	Confident	87.6	Confident	126 Å²	126	57.2 Å²	57.2	55%	0.548	30%	0.298	S	S	.	.	H	α-helix	trans	-71	-38.7	172	-70.2	165.8	-173.9	173.6	0	111.3	S598 M599 A600 K604 S605	S598-K602 WeakPolarHBondContact O-CG 3.38Å; S598-K602 PolarHBondContact O-N 2.94Å; M599-K602 WeakPolarHBondContact O-CA 3.24Å; M599-K602 WeakPolarHBondContact O-CB 3.47Å; M599-K602 PolarHBondContact O-N 2.7Å; M599-K602 HydrophobicContact SD-CD 4.21Å; A600-K602 VanDerWaalsContact C-N 3.33Å; A600-K602 PolarHBondContact O-N 2.96Å; K602-K604 VanDerWaalsContact C-N 3.31Å; K602-K604 PolarHBondContact O-N 3.48Å; K602-S605 CarbonylContact O-C 3.52Å; K602-S605 WeakPolarHBondContact O-CA 3.28Å; K602-S605 WeakPolarHBondContact O-CB 3.5Å; K602-S605 PolarHBondContact O-N 2.77Å
603	M	85.6	Confident	87.6	Confident	0 Å²	0	54.9 Å²	54.9	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-63.2	-37.9	177.8	-65.1	173.3	73.7	0	0	111.8	E77 F80 F363 F366 M599 A600 S605 V606	E77-M603 WeakPolarHBondContact OE2-CE 3.3Å; F80-M603 HydrophobicContact CB-CB 4.35Å; F80-M603 HydrophobicContact CD2-CB 3.97Å; F80-M603 HydrophobicContact CD2-CE 3.89Å; F80-M603 HydrophobicContact CD2-SD 4.25Å; F80-M603 HydrophobicContact CE2-CE 4Å; F80-M603 HydrophobicContact CE2-SD 4.15Å; F80-M603 HydrophobicContact CG-CB 4.47Å; F363-M603 HydrophobicContact CD1-CE 3.77Å; F363-M603 HydrophobicContact CD2-CE 3.65Å; F363-M603 HydrophobicContact CE1-CE 3.52Å; F363-M603 HydrophobicContact CE2-CE 3.38Å; F363-M603 HydrophobicContact CG-CE 3.86Å; F363-M603 HydrophobicContact CZ-CE 3.33Å; F366-M603 HydrophobicContact CB-SD 4.29Å; F366-M603 HydrophobicContact CD1-SD 4.4Å; F366-M603 HydrophobicContact CG-SD 4.22Å; M599-M603 WeakPolarHBondContact O-CG 3.46Å; M599-M603 PolarHBondContact O-N 2.68Å; A600-M603 PolarHBondContact O-N 2.82Å; M603-S605 PolarHBondContact O-N 3.3Å; M603-S605 VanDerWaalsContact O-N 3.14Å; M603-V606 WeakPolarHBondContact O-CG2 3.37Å; M603-V606 PolarHBondContact O-N 3.24Å
604	K	85.4	Confident	87.6	Confident	109 Å²	109	54.9 Å²	54.9	47%	0.474	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-22.3	168.1	177.1	165.2	-175.4	170.4	0	114.7	F80 A600 K602	F80-K604 WeakPolarHBondContact O-CA 3.34Å; F80-K604 WeakPolarHBondContact O-CB 3.42Å; F80-K604 WeakPolarHBondContact O-CG 3.46Å; A600-K604 PolarHBondContact O-N 3.23Å; A600-K604 VanDerWaalsContact O-N 3.1Å; K602-K604 VanDerWaalsContact C-N 3.31Å; K602-K604 PolarHBondContact O-N 3.48Å
605	S	83.5	Confident	87.6	Confident	92 Å²	92	54.4 Å²	54.4	64%	0.643	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.2	12.3	-176.4	-49.8	0	0	0	0	113.4	L601 K602 M603 D607	L601-S605 PolarHBondContact O-OG 3Å; L601-S605 VanDerWaalsContact O-OG 3.06Å; K602-S605 CarbonylContact O-C 3.52Å; K602-S605 WeakPolarHBondContact O-CA 3.28Å; K602-S605 WeakPolarHBondContact O-CB 3.5Å; K602-S605 PolarHBondContact O-N 2.77Å; M603-S605 PolarHBondContact O-N 3.3Å; M603-S605 VanDerWaalsContact O-N 3.14Å; S605-D607 PolarHBondContact O-N 2.82Å
606	V	83.8	Confident	87.5	Confident	34 Å²	34	56.3 Å²	56.3	21%	0.206	29%	0.293	C	S	.	.			trans	-72.9	121	-179.8	175.5	0	0	0	0	110.4	M603 A611	M603-V606 WeakPolarHBondContact O-CG2 3.37Å; M603-V606 PolarHBondContact O-N 3.24Å; V606-A611 HydrophobicContact CG1-CB 3.57Å
607	D	81.6	Confident	87.5	Confident	140 Å²	140	56.5 Å²	56.5	75%	0.749	30%	0.295	S	S	*	.			trans	-108.4	3.4	178.3	64.9	-13.7	0	0	0	113.3	S605 L612	S605-D607 PolarHBondContact O-N 2.82Å; D607-L612 VanDerWaalsContact O-CD1 3.32Å; D607-L612 WeakPolarHBondContact O-CD1 3.39Å
608	G	84.9	Confident	87.6	Confident	26 Å²	26	55.2 Å²	55.2	27%	0.268	29%	0.29	S	S	.	.			trans	-58.7	135.1	178.6	0	0	0	0	0	112.4	E610 A611 L612	G608-E610 PolarHBondContact O-N 3.29Å; G608-A611 PolarHBondContact O-N 2.93Å; G608-A611 VanDerWaalsContact O-N 3.12Å; G608-L612 WeakPolarHBondContact O-CG 3.27Å; G608-L612 PolarHBondContact O-N 2.89Å
609	R	88.7	Confident	87.4	Confident	127 Å²	127	57.3 Å²	57.3	48%	0.479	30%	0.302	S	S	.	.	H	α-helix	trans	-55.9	-39.8	-176	-175.6	-179.5	-177.8	-137.5	-7.6	112.2	A613 T773 L774	R609-A613 VanDerWaalsContact O-CB 3.24Å; R609-A613 WeakPolarHBondContact O-CB 3.43Å; R609-A613 PolarHBondContact O-N 3.31Å; R609-T773 PolarHBondContact NH2-O 3.32Å; R609-L774 HydrophobicContact CG-CD2 4.29Å; R609-L774 PolarHBondContact NH1-O 2.89Å; R609-L774 VanDerWaalsContact NH2-C 3.28Å; R609-L774 PolarHBondContact NH2-O 2.75Å
610	E	90	Very high	87.5	Confident	52 Å²	52	61.1 Å²	61.1	24%	0.243	32%	0.323	C	S	.	.	H	α-helix	trans	-61.4	-45.5	179.7	-68	69	-153.9	0	0	111.7	S355 T358 A359 G608 Y770	S355-E610 WeakPolarHBondContact O-CB 3.43Å; T358-E610 HydrophobicContact CG2-CB 4.42Å; T358-E610 HydrophobicContact CG2-CG 4.03Å; A359-E610 HydrophobicContact CB-CB 4.25Å; G608-E610 PolarHBondContact O-N 3.29Å; E610-Y770 WeakPolarHBondContact O-CE2 3.34Å; E610-Y770 PolarHBondContact O-OH 2.84Å
611	A	88.2	Confident	87.7	Confident	1 Å²	1	61.3 Å²	61.3	1%	0.008	33%	0.325	C	S	.	.	H	α-helix	trans	-74.3	-43.3	-179.9	0	0	0	0	0	111.8	E77 I81 A359 V606 G608 A613 L614	E77-A611 HydrophobicContact CG-CB 4.41Å; I81-A611 HydrophobicContact CD1-CB 3.81Å; A359-A611 HydrophobicContact CB-CB 4.24Å; V606-A611 HydrophobicContact CG1-CB 3.57Å; G608-A611 PolarHBondContact O-N 2.93Å; G608-A611 VanDerWaalsContact O-N 3.12Å; A611-A613 VanDerWaalsContact C-N 3.26Å; A611-A613 PolarHBondContact O-N 2.95Å; A611-L614 VanDerWaalsContact O-CB 3.3Å; A611-L614 WeakPolarHBondContact O-CB 3.33Å; A611-L614 PolarHBondContact O-N 3.2Å; A611-L614 VanDerWaalsContact O-N 3.08Å
612	L	88.2	Confident	87.9	Confident	79 Å²	79	59.9 Å²	59.9	41%	0.414	32%	0.315	S	S	.	.	H	α-helix	trans	-62	-32.7	175.8	-66.5	-179.9	0	0	0	112.8	I81 D607 G608 L614	I81-L612 HydrophobicContact CG2-CD2 4.06Å; D607-L612 VanDerWaalsContact O-CD1 3.32Å; D607-L612 WeakPolarHBondContact O-CD1 3.39Å; G608-L612 WeakPolarHBondContact O-CG 3.27Å; G608-L612 PolarHBondContact O-N 2.89Å; L612-L614 VanDerWaalsContact C-N 3.29Å; L612-L614 PolarHBondContact O-N 3.25Å
613	A	90.8	Very high	88.1	Confident	5 Å²	5	60 Å²	60	4%	0.041	32%	0.315	C	S	.	.	H	α-helix	trans	-70.1	-21.2	176.2	0	0	0	0	0	113.6	R609 A611 T616 S617 Y770 T773 L774	R609-A613 VanDerWaalsContact O-CB 3.24Å; R609-A613 WeakPolarHBondContact O-CB 3.43Å; R609-A613 PolarHBondContact O-N 3.31Å; A611-A613 VanDerWaalsContact C-N 3.26Å; A611-A613 PolarHBondContact O-N 2.95Å; A613-T616 PolarHBondContact O-OG1 3.37Å; A613-T616 VanDerWaalsContact O-OG1 3.14Å; A613-S617 VanDerWaalsContact O-CB 3.24Å; A613-S617 WeakPolarHBondContact O-CB 3.29Å; A613-S617 PolarHBondContact O-N 3.31Å; A613-S617 PolarHBondContact O-OG 2.8Å; A613-Y770 HydrophobicContact CB-CD2 3.95Å; A613-Y770 HydrophobicContact CB-CE2 3.65Å; A613-T773 HydrophobicContact CB-CG2 3.77Å; A613-L774 HydrophobicContact CB-CD2 3.69Å; A613-L774 HydrophobicContact CB-CG 4.11Å
614	L	92	Very high	88.5	Confident	0 Å²	0	60.8 Å²	60.8	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-61.4	-49.9	175	-62	173.4	0	0	0	109.9	I74 E77 I78 L356 A359 A611 L612 T616 S617 F618 F766 Y770	I74-L614 HydrophobicContact CG1-CD2 4.45Å; I74-L614 HydrophobicContact CG2-CB 4.22Å; I74-L614 HydrophobicContact CG2-CD1 4.44Å; I74-L614 HydrophobicContact CG2-CD2 4.05Å; I74-L614 HydrophobicContact CG2-CG 4.47Å; E77-L614 HydrophobicContact CB-CD1 4.17Å; E77-L614 HydrophobicContact CG-CD1 3.92Å; I78-L614 HydrophobicContact CD1-CB 3.96Å; I78-L614 HydrophobicContact CG1-CB 3.73Å; L356-L614 HydrophobicContact CD2-CD2 3.74Å; A359-L614 HydrophobicContact CB-CD1 4.06Å; A611-L614 VanDerWaalsContact O-CB 3.3Å; A611-L614 WeakPolarHBondContact O-CB 3.33Å; A611-L614 PolarHBondContact O-N 3.2Å; A611-L614 VanDerWaalsContact O-N 3.08Å; L612-L614 VanDerWaalsContact C-N 3.29Å; L612-L614 PolarHBondContact O-N 3.25Å; L614-T616 PolarHBondContact O-N 3.18Å; L614-S617 CarbonylContact O-C 3.55Å; L614-S617 PolarHBondContact O-N 2.91Å; L614-F618 PolarHBondContact O-N 2.97Å; L614-F766 HydrophobicContact CD2-CE2 4.26Å; L614-F766 HydrophobicContact CD2-CZ 3.92Å; L614-Y770 HydrophobicContact CD2-CD2 4.03Å; L614-Y770 HydrophobicContact CD2-CE1 4.26Å; L614-Y770 HydrophobicContact CD2-CE2 3.4Å; L614-Y770 VanDerWaalsContact CD2-CE2 3.4Å; L614-Y770 HydrophobicContact CG-CE2 3.93Å
615	K	87.3	Confident	88.8	Confident	90 Å²	90	55.7 Å²	55.7	39%	0.391	30%	0.298	S	S	.	.	H	α-helix	trans	-59.5	-46.4	-177.3	176.4	171.1	175.3	159.7	0	112.9	I78 D82 S617	I78-K615 HydrophobicContact CG1-CB 4.26Å; I78-K615 HydrophobicContact CG2-CB 4.11Å; I78-K615 HydrophobicContact CG2-CG 4.17Å; D82-K615 HydrophobicContact CB-CD 4.03Å; D82-K615 VanDerWaalsContact OD2-CE 3.3Å; D82-K615 WeakPolarHBondContact OD2-CE 3.35Å; D82-K615 IonicContact OD2-NZ 2.87Å; D82-K615 PolarHBondContact OD2-NZ 2.71Å; K615-S617 PolarHBondContact O-N 3.43Å
616	T	86.6	Confident	89.2	Confident	79 Å²	79	54.5 Å²	54.5	49%	0.485	28%	0.281	S	S	.	.	H	α-helix	trans	-67.9	-25	178.7	55.1	0	0	0	0	112	A613 L614 K769	A613-T616 PolarHBondContact O-OG1 3.37Å; A613-T616 VanDerWaalsContact O-OG1 3.14Å; L614-T616 PolarHBondContact O-N 3.18Å; T616-K769 WeakPolarHBondContact O-CE 3.26Å; T616-K769 PolarHBondContact O-NZ 2.93Å
617	S	91.9	Very high	89.6	Confident	5 Å²	5	53.7 Å²	53.7	4%	0.035	28%	0.275	C	S	.	.	H	α-helix	trans	-89.8	-25.4	-177.2	-54.9	0	0	0	0	113.6	A613 L614 K615 Y770	A613-S617 VanDerWaalsContact O-CB 3.24Å; A613-S617 WeakPolarHBondContact O-CB 3.29Å; A613-S617 PolarHBondContact O-N 3.31Å; A613-S617 PolarHBondContact O-OG 2.8Å; L614-S617 CarbonylContact O-C 3.55Å; L614-S617 PolarHBondContact O-N 2.91Å; K615-S617 PolarHBondContact O-N 3.43Å; S617-Y770 VanDerWaalsContact OG-CA 3.26Å; S617-Y770 WeakPolarHBondContact OG-CA 3.26Å; S617-Y770 PolarHBondContact OG-N 3.44Å
618	F	93.3	Very high	90.2	Very high	4 Å²	4	47.1 Å²	47.1	2%	0.018	24%	0.24	C	C	.	.			trans	-134.8	71.3	-171.8	-153.2	-151.9	0	0	0	113.4	V71 I74 I78 L614 D620 S621 I624 L763 F766	V71-F618 HydrophobicContact CG1-CE1 3.92Å; V71-F618 HydrophobicContact CG1-CZ 4Å; I74-F618 HydrophobicContact CB-CD1 4.44Å; I74-F618 HydrophobicContact CG2-CD1 3.65Å; I74-F618 HydrophobicContact CG2-CE1 4.29Å; I78-F618 HydrophobicContact CD1-CB 3.89Å; I78-F618 HydrophobicContact CD1-CD1 4.34Å; L614-F618 PolarHBondContact O-N 2.97Å; F618-D620 PolarHBondContact O-N 2.58Å; F618-S621 WeakPolarHBondContact O-CB 3.23Å; F618-S621 PolarHBondContact O-N 3.07Å; F618-I624 HydrophobicContact CD2-CD1 4.21Å; F618-I624 HydrophobicContact CE2-CB 4.23Å; F618-I624 HydrophobicContact CE2-CD1 3.53Å; F618-I624 HydrophobicContact CE2-CG1 4.48Å; F618-I624 HydrophobicContact CE2-CG2 3.95Å; F618-I624 HydrophobicContact CZ-CB 3.9Å; F618-I624 HydrophobicContact CZ-CD1 4.09Å; F618-I624 HydrophobicContact CZ-CG2 3.54Å; F618-L763 HydrophobicContact CE1-CD1 4.45Å; F618-L763 HydrophobicContact CE2-CD1 4.42Å; F618-L763 HydrophobicContact CZ-CD1 3.93Å; F618-F766 HydrophobicContact CB-CD2 3.54Å; F618-F766 HydrophobicContact CB-CE2 3.99Å; F618-F766 HydrophobicContact CB-CG 4.23Å; F618-F766 HydrophobicContact CD1-CD2 4.48Å; F618-F766 HydrophobicContact CD2-CB 3.67Å; F618-F766 HydrophobicContact CD2-CD2 4.19Å; F618-F766 HydrophobicContact CD2-CG 4.02Å; F618-F766 HydrophobicContact CE2-CB 4Å; F618-F766 HydrophobicContact CE2-CG 4.47Å; F618-F766 HydrophobicContact CG-CB 4.22Å; F618-F766 AromaticContact CG-CD2 3.87Å; F618-F766 HydrophobicContact CG-CD2 3.87Å; F618-F766 HydrophobicContact CG-CE2 4.49Å; F618-F766 HydrophobicContact CG-CG 4.06Å
619	P	85.2	Confident	90.5	Very high	98 Å²	98	45.9 Å²	45.9	64%	0.636	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.8	-35.1	-173.1	25.8	-34.5	0	0	0	114.2	S621	P619-S621 VanDerWaalsContact C-N 3.33Å; P619-S621 PolarHBondContact O-N 3.13Å
620	D	89.4	Confident	90.6	Very high	112 Å²	112	41 Å²	41	60%	0.599	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	-97.1	24.5	-177.8	-57.2	-62.2	0	0	0	113	F618 Q622 K623 I624	F618-D620 PolarHBondContact O-N 2.58Å; D620-Q622 VanDerWaalsContact C-N 3.33Å; D620-Q622 PolarHBondContact O-N 2.74Å; D620-K623 PolarHBondContact O-N 2.66Å; D620-I624 HydrophobicContact CB-CD1 3.82Å; D620-I624 HydrophobicContact CB-CG1 4.39Å; D620-I624 WeakPolarHBondContact O-CG1 3.26Å; D620-I624 PolarHBondContact O-N 3.37Å
621	S	91.8	Very high	90.7	Very high	4 Å²	4	38.5 Å²	38.5	3%	0.028	20%	0.199	C	C	.	.	H	α-helix	trans	-50.9	-44	-168.8	57.4	0	0	0	0	114.6	F618 P619 I624 A625	F618-S621 WeakPolarHBondContact O-CB 3.23Å; F618-S621 PolarHBondContact O-N 3.07Å; P619-S621 VanDerWaalsContact C-N 3.33Å; P619-S621 PolarHBondContact O-N 3.13Å; S621-I624 PolarHBondContact O-N 3.47Å; S621-A625 WeakPolarHBondContact O-CB 3.48Å; S621-A625 PolarHBondContact O-N 3.17Å
622	Q	90.8	Very high	90.8	Very high	74 Å²	74	38.5 Å²	38.5	35%	0.346	20%	0.199	S	C	.	.	H	α-helix	trans	-60.6	-48.6	-178.3	-65.4	-176.9	6.7	0	0	112.6	S75 S84 I85 D620 I624 A625 F626	S75-Q622 WeakPolarHBondContact OG-CA 3.45Å; S75-Q622 WeakPolarHBondContact OG-CG 3.32Å; S75-Q622 PolarHBondContact OG-N 2.59Å; S75-Q622 VanDerWaalsContact OG-N 3.17Å; S84-Q622 PolarHBondContact OG-NE2 2.96Å; S84-Q622 VanDerWaalsContact OG-NE2 3.09Å; I85-Q622 HydrophobicContact CD1-CG 4.48Å; D620-Q622 VanDerWaalsContact C-N 3.33Å; D620-Q622 PolarHBondContact O-N 2.74Å; Q622-I624 VanDerWaalsContact C-N 3.34Å; Q622-I624 PolarHBondContact O-N 2.65Å; Q622-A625 PolarHBondContact O-N 3.44Å; Q622-F626 WeakPolarHBondContact O-CB 3.42Å; Q622-F626 PolarHBondContact O-N 2.97Å
623	K	91.6	Very high	90.8	Very high	128 Å²	128	36.9 Å²	36.9	56%	0.557	19%	0.191	S	C	*	.	H	α-helix	trans	-65.1	-42.6	179.5	-167	-163.8	-176.7	-51.5	0	110.7	D620 F626 D627	D620-K623 PolarHBondContact O-N 2.66Å; K623-F626 PolarHBondContact O-N 3.19Å; K623-D627 IonicContact NZ-OD1 3.9Å; K623-D627 PolarHBondContact NZ-OD1 3.08Å; K623-D627 IonicContact NZ-OD2 2.73Å; K623-D627 PolarHBondContact NZ-OD2 2.85Å; K623-D627 WeakPolarHBondContact O-CB 3.41Å; K623-D627 PolarHBondContact O-N 3.41Å
624	I	92.9	Very high	90.8	Very high	18 Å²	18	36.6 Å²	36.6	9%	0.092	19%	0.189	C	C	.	.	H	α-helix	trans	-66.9	-40.2	-177.6	-65.3	164	0	0	0	111.1	V71 F618 D620 S621 Q622 L628 S759 A762	V71-I624 HydrophobicContact CG1-CG2 4.44Å; F618-I624 HydrophobicContact CD2-CD1 4.21Å; F618-I624 HydrophobicContact CE2-CB 4.23Å; F618-I624 HydrophobicContact CE2-CD1 3.53Å; F618-I624 HydrophobicContact CE2-CG1 4.48Å; F618-I624 HydrophobicContact CE2-CG2 3.95Å; F618-I624 HydrophobicContact CZ-CB 3.9Å; F618-I624 HydrophobicContact CZ-CD1 4.09Å; F618-I624 HydrophobicContact CZ-CG2 3.54Å; D620-I624 HydrophobicContact CB-CD1 3.82Å; D620-I624 HydrophobicContact CB-CG1 4.39Å; D620-I624 WeakPolarHBondContact O-CG1 3.26Å; D620-I624 PolarHBondContact O-N 3.37Å; S621-I624 PolarHBondContact O-N 3.47Å; Q622-I624 VanDerWaalsContact C-N 3.34Å; Q622-I624 PolarHBondContact O-N 2.65Å; I624-L628 VanDerWaalsContact O-CB 3.23Å; I624-L628 WeakPolarHBondContact O-CB 3.43Å; I624-L628 PolarHBondContact O-N 3.17Å; I624-S759 PolarHBondContact O-OG 2.94Å; I624-A762 HydrophobicContact CD1-CB 3.57Å; I624-A762 HydrophobicContact CG1-CB 4.19Å; I624-A762 HydrophobicContact CG2-CB 4.43Å
625	A	92.8	Very high	90.7	Very high	2 Å²	2	36.7 Å²	36.7	2%	0.017	19%	0.189	C	C	.	.	H	α-helix	trans	-62.8	-46.7	172.8	0	0	0	0	0	111.7	V71 N72 S621 Q622 G629	V71-A625 HydrophobicContact CG1-CB 3.92Å; N72-A625 PolarHBondContact OD1-O 3.36Å; S621-A625 WeakPolarHBondContact O-CB 3.48Å; S621-A625 PolarHBondContact O-N 3.17Å; Q622-A625 PolarHBondContact O-N 3.44Å; A625-G629 PolarHBondContact O-N 2.84Å
626	F	92.1	Very high	90.8	Very high	67 Å²	67	32.9 Å²	32.9	29%	0.294	17%	0.174	S	C	.	.	H	α-helix	trans	-59.7	-56.4	177	178.7	-95.7	0	0	0	112.2	I327 Q622 K623 L628 G629 L630	I327-F626 HydrophobicContact CD1-CE2 4.09Å; I327-F626 HydrophobicContact CG2-CD2 3.83Å; I327-F626 HydrophobicContact CG2-CE2 4.44Å; I327-F626 HydrophobicContact CG2-CG 4.44Å; Q622-F626 WeakPolarHBondContact O-CB 3.42Å; Q622-F626 PolarHBondContact O-N 2.97Å; K623-F626 PolarHBondContact O-N 3.19Å; F626-L628 VanDerWaalsContact C-N 3.3Å; F626-L628 PolarHBondContact O-N 2.74Å; F626-G629 PolarHBondContact O-N 2.98Å; F626-L630 HydrophobicContact CE1-CD2 3.96Å; F626-L630 HydrophobicContact CZ-CD2 4.1Å; F626-L630 WeakPolarHBondContact O-CB 3.46Å; F626-L630 PolarHBondContact O-N 3.14Å
627	D	92.3	Very high	90.9	Very high	16 Å²	16	29.4 Å²	29.4	9%	0.086	15%	0.152	C	C	.	.	H	α-helix	trans	-55.2	-45.5	179.8	-68.9	-3.5	0	0	0	111.1	K623 A631 S755 S759	K623-D627 IonicContact NZ-OD1 3.9Å; K623-D627 PolarHBondContact NZ-OD1 3.08Å; K623-D627 IonicContact NZ-OD2 2.73Å; K623-D627 PolarHBondContact NZ-OD2 2.85Å; K623-D627 WeakPolarHBondContact O-CB 3.41Å; K623-D627 PolarHBondContact O-N 3.41Å; D627-A631 WeakPolarHBondContact O-CB 3.49Å; D627-A631 PolarHBondContact O-N 3.39Å; D627-S755 PolarHBondContact O-OG 3.21Å; D627-S759 WeakPolarHBondContact CB-OG 3.42Å
628	L	92.6	Very high	90.9	Very high	2 Å²	2	29.1 Å²	29.1	1%	0.01	15%	0.151	C	C	.	.	H	α-helix	trans	-69.1	-47.6	-179.8	-177.2	62.5	0	0	0	112.1	L67 V71 I624 F626 A631 V632 F701 A756 L760	L67-L628 HydrophobicContact CD2-CD2 4.31Å; L67-L628 HydrophobicContact CG-CD2 4.27Å; V71-L628 HydrophobicContact CB-CD2 4.13Å; V71-L628 HydrophobicContact CG1-CD2 4.4Å; V71-L628 HydrophobicContact CG2-CD2 3.79Å; I624-L628 VanDerWaalsContact O-CB 3.23Å; I624-L628 WeakPolarHBondContact O-CB 3.43Å; I624-L628 PolarHBondContact O-N 3.17Å; F626-L628 VanDerWaalsContact C-N 3.3Å; F626-L628 PolarHBondContact O-N 2.74Å; L628-A631 PolarHBondContact O-N 2.76Å; L628-V632 HydrophobicContact CD1-CG2 4.2Å; L628-V632 HydrophobicContact CG-CG2 4.44Å; L628-V632 WeakPolarHBondContact O-CB 3.27Å; L628-V632 VanDerWaalsContact O-CG2 3.27Å; L628-V632 WeakPolarHBondContact O-CG2 3.32Å; L628-V632 PolarHBondContact O-N 2.99Å; L628-F701 HydrophobicContact CD1-CZ 4.38Å; L628-A756 HydrophobicContact CD1-CB 4.17Å; L628-L760 HydrophobicContact CD1-CD2 4.16Å
629	G	91.4	Very high	90.7	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-64.9	-40.5	-178.9	0	0	0	0	0	112.4	A625 F626 V632 L633	A625-G629 PolarHBondContact O-N 2.84Å; F626-G629 PolarHBondContact O-N 2.98Å; G629-V632 PolarHBondContact O-N 3.42Å; G629-L633 WeakPolarHBondContact O-CB 3.48Å; G629-L633 PolarHBondContact O-N 2.97Å
630	L	90.6	Very high	91	Very high	24 Å²	24	31 Å²	31	13%	0.126	15%	0.149	C	C	.	.	H	α-helix	trans	-60.4	-47	174.5	-176.2	70	0	0	0	111.3	I327 F626 L633 G634 Y751 D752	I327-L630 HydrophobicContact CD1-CB 3.88Å; I327-L630 HydrophobicContact CD1-CD1 3.43Å; I327-L630 VanDerWaalsContact CD1-CD1 3.43Å; I327-L630 HydrophobicContact CD1-CG 4.24Å; I327-L630 HydrophobicContact CG1-CB 4.44Å; F626-L630 HydrophobicContact CE1-CD2 3.96Å; F626-L630 HydrophobicContact CZ-CD2 4.1Å; F626-L630 WeakPolarHBondContact O-CB 3.46Å; F626-L630 PolarHBondContact O-N 3.14Å; L630-L633 WeakPolarHBondContact O-CB 3.39Å; L630-L633 PolarHBondContact O-N 3.47Å; L630-G634 PolarHBondContact O-N 3.19Å; L630-Y751 CarbonylContact C-O 3.58Å; L630-Y751 HydrophobicContact CD1-CD1 4.1Å; L630-Y751 WeakPolarHBondContact CG-O 3.48Å; L630-D752 HydrophobicContact CD2-CB 4.31Å
631	A	91.9	Very high	91.1	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-65	-41.4	177.4	0	0	0	0	0	112.6	D627 L628 G634 V635 F701 A756	D627-A631 WeakPolarHBondContact O-CB 3.49Å; D627-A631 PolarHBondContact O-N 3.39Å; L628-A631 PolarHBondContact O-N 2.76Å; A631-G634 PolarHBondContact O-N 3.09Å; A631-V635 WeakPolarHBondContact O-CG2 3.42Å; A631-V635 PolarHBondContact O-N 3.19Å; A631-F701 HydrophobicContact CB-CD1 3.98Å; A631-F701 HydrophobicContact CB-CE1 3.99Å; A631-A756 HydrophobicContact CB-CB 3.71Å
632	V	91.1	Very high	91	Very high	2 Å²	2	26.4 Å²	26.4	1%	0.012	12%	0.123	C	C	.	.	H	α-helix	trans	-65.9	-37.3	176.3	169.2	0	0	0	0	111.7	M64 Q65 A68 L628 G629 G634 V635 S636 F701	M64-V632 HydrophobicContact CB-CG1 4.06Å; M64-V632 HydrophobicContact CB-CG2 3.9Å; Q65-V632 HydrophobicContact CG-CG1 3.92Å; A68-V632 HydrophobicContact CB-CB 4.13Å; A68-V632 HydrophobicContact CB-CG1 4.11Å; A68-V632 HydrophobicContact CB-CG2 4.16Å; L628-V632 HydrophobicContact CD1-CG2 4.2Å; L628-V632 HydrophobicContact CG-CG2 4.44Å; L628-V632 WeakPolarHBondContact O-CB 3.27Å; L628-V632 VanDerWaalsContact O-CG2 3.27Å; L628-V632 WeakPolarHBondContact O-CG2 3.32Å; L628-V632 PolarHBondContact O-N 2.99Å; G629-V632 PolarHBondContact O-N 3.42Å; V632-G634 VanDerWaalsContact C-N 3.32Å; V632-G634 PolarHBondContact O-N 3.01Å; V632-V635 PolarHBondContact O-N 3.46Å; V632-S636 WeakPolarHBondContact O-CB 3.48Å; V632-S636 PolarHBondContact O-N 3.3Å; V632-F701 HydrophobicContact CG2-CE1 3.88Å; V632-F701 HydrophobicContact CG2-CZ 3.75Å
633	L	88.7	Confident	91	Very high	44 Å²	44	26.7 Å²	26.7	23%	0.23	13%	0.128	C	C	.	.	H	α-helix	trans	-59.9	-43.4	171.1	179.8	61.5	0	0	0	110.8	I327 T330 G629 L630 S636 T637 Y751	I327-L633 HydrophobicContact CG1-CD2 4.28Å; T330-L633 HydrophobicContact CG2-CD1 4.32Å; G629-L633 WeakPolarHBondContact O-CB 3.48Å; G629-L633 PolarHBondContact O-N 2.97Å; L630-L633 WeakPolarHBondContact O-CB 3.39Å; L630-L633 PolarHBondContact O-N 3.47Å; L633-S636 WeakPolarHBondContact O-CB 3.4Å; L633-S636 PolarHBondContact O-N 3.36Å; L633-T637 PolarHBondContact O-N 3.24Å; L633-T637 PolarHBondContact O-OG1 2.95Å; L633-T637 VanDerWaalsContact O-OG1 3.12Å; L633-Y751 HydrophobicContact CD2-CD1 4.4Å; L633-Y751 HydrophobicContact CD2-CE1 3.95Å; L633-Y751 HydrophobicContact CG-CD1 4.37Å; L633-Y751 HydrophobicContact CG-CE1 3.94Å
634	G	90.2	Very high	91.1	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-59.4	-47.1	174.7	0	0	0	0	0	113.8	L630 A631 V632 S636 T637 I638 Y751	L630-G634 PolarHBondContact O-N 3.19Å; A631-G634 PolarHBondContact O-N 3.09Å; V632-G634 VanDerWaalsContact C-N 3.32Å; V632-G634 PolarHBondContact O-N 3.01Å; G634-S636 VanDerWaalsContact C-N 3.32Å; G634-S636 PolarHBondContact O-N 3.2Å; G634-T637 PolarHBondContact O-N 3.19Å; G634-I638 WeakPolarHBondContact O-CG1 3.35Å; G634-I638 PolarHBondContact O-N 3.39Å; G634-Y751 VanDerWaalsContact CA-CG 3.49Å
635	V	90.3	Very high	91	Very high	2 Å²	2	25 Å²	25	1%	0.012	12%	0.119	C	C	.	.	H	α-helix	trans	-65.3	-35.9	175.8	-174.9	0	0	0	0	111.5	V61 A631 V632 I638 K639 F701 A704 I753	V61-V635 HydrophobicContact CG2-CG1 3.91Å; A631-V635 WeakPolarHBondContact O-CG2 3.42Å; A631-V635 PolarHBondContact O-N 3.19Å; V632-V635 PolarHBondContact O-N 3.46Å; V635-I638 WeakPolarHBondContact O-CB 3.36Å; V635-I638 PolarHBondContact O-N 3.47Å; V635-K639 PolarHBondContact O-N 3.15Å; V635-F701 HydrophobicContact CG2-CD1 3.91Å; V635-F701 HydrophobicContact CG2-CE1 3.95Å; V635-A704 HydrophobicContact CG2-CB 4.03Å; V635-I753 HydrophobicContact CG2-CG2 4.07Å
636	S	89.3	Confident	91	Very high	10 Å²	10	29.3 Å²	29.3	7%	0.07	15%	0.15	C	C	.	.	H	α-helix	trans	-65.1	-38.9	173	-171.7	0	0	0	0	112	V632 L633 G634 K639 K640	V632-S636 WeakPolarHBondContact O-CB 3.48Å; V632-S636 PolarHBondContact O-N 3.3Å; L633-S636 WeakPolarHBondContact O-CB 3.4Å; L633-S636 PolarHBondContact O-N 3.36Å; G634-S636 VanDerWaalsContact C-N 3.32Å; G634-S636 PolarHBondContact O-N 3.2Å; S636-K639 WeakPolarHBondContact O-CB 3.49Å; S636-K639 PolarHBondContact O-N 3.07Å; S636-K640 WeakPolarHBondContact O-CG 3.44Å; S636-K640 PolarHBondContact O-N 3.25Å
637	T	89.3	Confident	91.1	Very high	5 Å²	5	31.1 Å²	31.1	3%	0.031	16%	0.159	C	C	.	.	H	α-helix	trans	-66.9	-39.6	173.7	-58.6	0	0	0	0	111.9	L633 G634 K639 K640 V641 D745 F748 Y751	L633-T637 PolarHBondContact O-N 3.24Å; L633-T637 PolarHBondContact O-OG1 2.95Å; L633-T637 VanDerWaalsContact O-OG1 3.12Å; G634-T637 PolarHBondContact O-N 3.19Å; T637-K639 VanDerWaalsContact C-N 3.3Å; T637-K639 PolarHBondContact O-N 3.26Å; T637-K640 WeakPolarHBondContact O-CB 3.46Å; T637-K640 PolarHBondContact O-N 3.15Å; T637-K640 VanDerWaalsContact O-N 3.12Å; T637-V641 WeakPolarHBondContact O-CG2 3.14Å; T637-V641 PolarHBondContact O-N 3.01Å; T637-D745 HydrophobicContact CG2-CB 4.24Å; T637-D745 WeakPolarHBondContact CG2-O 3.31Å; T637-F748 HydrophobicContact CG2-CE1 4.1Å; T637-Y751 HydrophobicContact CG2-CE2 4.33Å; T637-Y751 PolarHBondContact OG1-OH 2.72Å; T637-Y751 VanDerWaalsContact OG1-OH 3.13Å
638	I	91.3	Very high	91.1	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-57.1	-43.4	170.1	-70.5	155.5	0	0	0	110.7	G634 V635 K640 V641 I642 I686 F689 A704 I707 F748 I753	G634-I638 WeakPolarHBondContact O-CG1 3.35Å; G634-I638 PolarHBondContact O-N 3.39Å; V635-I638 WeakPolarHBondContact O-CB 3.36Å; V635-I638 PolarHBondContact O-N 3.47Å; I638-K640 PolarHBondContact O-N 2.96Å; I638-V641 PolarHBondContact O-N 2.93Å; I638-I642 HydrophobicContact CG2-CD1 4.25Å; I638-I642 WeakPolarHBondContact O-CG1 3.42Å; I638-I642 PolarHBondContact O-N 3.14Å; I638-I686 HydrophobicContact CG2-CG1 4.34Å; I638-F689 HydrophobicContact CG2-CE1 4.49Å; I638-A704 HydrophobicContact CD1-CB 4.05Å; I638-I707 HydrophobicContact CD1-CD1 3.91Å; I638-I707 HydrophobicContact CG1-CD1 4.18Å; I638-I707 HydrophobicContact CG2-CD1 3.71Å; I638-F748 HydrophobicContact CG1-CD1 4.39Å; I638-F748 HydrophobicContact CG1-CD2 4.15Å; I638-F748 HydrophobicContact CG1-CE1 4.1Å; I638-F748 HydrophobicContact CG1-CE2 3.84Å; I638-F748 HydrophobicContact CG1-CG 4.42Å; I638-F748 HydrophobicContact CG1-CZ 3.81Å; I638-I753 HydrophobicContact CD1-CD1 3.92Å
639	K	90	Very high	91.1	Very high	45 Å²	45	31.8 Å²	31.8	20%	0.196	17%	0.167	C	C	.	.	H	α-helix	trans	-60.3	-44.4	173.7	-168	-156.5	173.9	-59.3	0	112	V61 V635 S636 T637 V641 I642 D643	V61-K639 HydrophobicContact CB-CD 4.4Å; V61-K639 HydrophobicContact CG1-CD 4.17Å; V61-K639 HydrophobicContact CG2-CB 4.42Å; V635-K639 PolarHBondContact O-N 3.15Å; S636-K639 WeakPolarHBondContact O-CB 3.49Å; S636-K639 PolarHBondContact O-N 3.07Å; T637-K639 VanDerWaalsContact C-N 3.3Å; T637-K639 PolarHBondContact O-N 3.26Å; K639-V641 VanDerWaalsContact C-N 3.25Å; K639-V641 PolarHBondContact O-N 3.31Å; K639-I642 WeakPolarHBondContact O-CA 3.45Å; K639-I642 WeakPolarHBondContact O-CB 3.41Å; K639-I642 PolarHBondContact O-N 3.12Å; K639-D643 IonicContact NZ-OD1 2.67Å; K639-D643 PolarHBondContact NZ-OD1 3.05Å; K639-D643 IonicContact NZ-OD2 3.15Å; K639-D643 PolarHBondContact NZ-OD2 3.04Å; K639-D643 VanDerWaalsContact O-CG 3.23Å; K639-D643 PolarHBondContact O-N 2.97Å
640	K	89.9	Confident	91.2	Very high	96 Å²	96	32.9 Å²	32.9	42%	0.417	17%	0.174	S	C	.	.	H	α-helix	trans	-58.5	-36.8	175.9	-68	170	-177.8	167.6	0	112	S636 T637 I638 D643 N644 L744	S636-K640 WeakPolarHBondContact O-CG 3.44Å; S636-K640 PolarHBondContact O-N 3.25Å; T637-K640 WeakPolarHBondContact O-CB 3.46Å; T637-K640 PolarHBondContact O-N 3.15Å; T637-K640 VanDerWaalsContact O-N 3.12Å; I638-K640 PolarHBondContact O-N 2.96Å; K640-D643 PolarHBondContact O-N 3.29Å; K640-N644 WeakPolarHBondContact O-CB 3.4Å; K640-N644 PolarHBondContact O-N 3.34Å; K640-N644 PolarHBondContact O-ND2 3.01Å; K640-L744 HydrophobicContact CB-CD2 3.8Å
641	V	91.9	Very high	91.3	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-67.5	-37.1	174.6	175.9	0	0	0	0	111.9	T637 I638 K639 R645 L648 M682 F683 I686 L744 L746 F748	T637-V641 WeakPolarHBondContact O-CG2 3.14Å; T637-V641 PolarHBondContact O-N 3.01Å; I638-V641 PolarHBondContact O-N 2.93Å; K639-V641 VanDerWaalsContact C-N 3.25Å; K639-V641 PolarHBondContact O-N 3.31Å; V641-R645 WeakPolarHBondContact O-CA 3.38Å; V641-R645 PolarHBondContact O-N 2.68Å; V641-L648 HydrophobicContact CG1-CD1 4.24Å; V641-M682 HydrophobicContact CG1-CE 3.63Å; V641-M682 HydrophobicContact CG1-SD 4.08Å; V641-F683 HydrophobicContact CG1-CE1 4.12Å; V641-I686 HydrophobicContact CB-CD1 4.25Å; V641-I686 HydrophobicContact CG1-CD1 3.63Å; V641-L744 HydrophobicContact CG2-CD1 4.46Å; V641-L746 HydrophobicContact CG2-CD2 3.36Å; V641-F748 HydrophobicContact CG2-CZ 4.15Å
642	I	90.8	Very high	91.3	Very high	19 Å²	19	34 Å²	34	10%	0.097	18%	0.182	C	C	.	.	H	α-helix	trans	-63.5	-47.2	172.3	-66.7	163.1	0	0	0	110.6	V54 L57 I638 K639 N644 R645 I686 L690	V54-I642 HydrophobicContact CG1-CG2 4.15Å; V54-I642 HydrophobicContact CG2-CG2 4.35Å; L57-I642 HydrophobicContact CD2-CD1 3.39Å; I638-I642 HydrophobicContact CG2-CD1 4.25Å; I638-I642 WeakPolarHBondContact O-CG1 3.42Å; I638-I642 PolarHBondContact O-N 3.14Å; K639-I642 WeakPolarHBondContact O-CA 3.45Å; K639-I642 WeakPolarHBondContact O-CB 3.41Å; K639-I642 PolarHBondContact O-N 3.12Å; I642-N644 VanDerWaalsContact C-N 3.28Å; I642-N644 PolarHBondContact O-N 3.07Å; I642-R645 WeakPolarHBondContact O-CB 3.26Å; I642-R645 PolarHBondContact O-N 3.18Å; I642-I686 HydrophobicContact CD1-CG2 3.9Å; I642-I686 HydrophobicContact CG1-CD1 4.45Å; I642-I686 HydrophobicContact CG1-CG2 3.55Å; I642-L690 HydrophobicContact CD1-CD1 4.23Å; I642-L690 HydrophobicContact CD1-CD2 4.28Å; I642-L690 HydrophobicContact CD1-CG 4.43Å
643	D	90.5	Very high	91.2	Very high	81 Å²	81	40.1 Å²	40.1	43%	0.433	21%	0.208	S	C	.	.	H	α-helix	trans	-60.6	-37.4	179.7	-61.5	-25	0	0	0	111.7	K639 K640	K639-D643 IonicContact NZ-OD1 2.67Å; K639-D643 PolarHBondContact NZ-OD1 3.05Å; K639-D643 IonicContact NZ-OD2 3.15Å; K639-D643 PolarHBondContact NZ-OD2 3.04Å; K639-D643 VanDerWaalsContact O-CG 3.23Å; K639-D643 PolarHBondContact O-N 2.97Å; K640-D643 PolarHBondContact O-N 3.29Å
644	N	92.5	Very high	91	Very high	40 Å²	40	43.8 Å²	43.8	21%	0.214	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.2	9.3	-179.7	-70	-93.4	0	0	0	113.8	K640 I642 S646 E647 L648 V740 L744	K640-N644 WeakPolarHBondContact O-CB 3.4Å; K640-N644 PolarHBondContact O-N 3.34Å; K640-N644 PolarHBondContact O-ND2 3.01Å; I642-N644 VanDerWaalsContact C-N 3.28Å; I642-N644 PolarHBondContact O-N 3.07Å; N644-S646 PolarHBondContact O-N 3.28Å; N644-S646 VanDerWaalsContact O-N 3.16Å; N644-E647 PolarHBondContact O-N 3.25Å; N644-L648 PolarHBondContact O-N 2.91Å; N644-V740 HydrophobicContact CB-CG1 4.08Å; N644-L744 HydrophobicContact CB-CD1 3.83Å
645	R	92.1	Very high	90.8	Very high	70 Å²	70	44 Å²	44	26%	0.264	23%	0.225	S	C	.	.	H	α-helix	trans	-59.7	-32.5	-171.8	-170.9	175.4	-173.5	178.2	1.1	113.6	V641 I642 A649 F683 D687	V641-R645 WeakPolarHBondContact O-CA 3.38Å; V641-R645 PolarHBondContact O-N 2.68Å; I642-R645 WeakPolarHBondContact O-CB 3.26Å; I642-R645 PolarHBondContact O-N 3.18Å; R645-A649 PolarHBondContact O-N 3.43Å; R645-A649 VanDerWaalsContact O-N 3.07Å; R645-F683 HydrophobicContact CG-CD1 4.43Å; R645-F683 HydrophobicContact CG-CD2 4.45Å; R645-F683 HydrophobicContact CG-CE1 3.97Å; R645-F683 HydrophobicContact CG-CE2 4Å; R645-F683 HydrophobicContact CG-CZ 3.74Å; R645-D687 IonicContact CZ-OD1 2.67Å; R645-D687 VanDerWaalsContact CZ-OD1 3.28Å; R645-D687 IonicContact CZ-OD2 2.68Å; R645-D687 IonicContact NH1-OD1 2.75Å; R645-D687 PolarHBondContact NH1-OD1 3.25Å; R645-D687 IonicContact NH1-OD2 3.83Å; R645-D687 IonicContact NH2-OD1 2.65Å; R645-D687 PolarHBondContact NH2-OD1 2.99Å; R645-D687 IonicContact NH2-OD2 2.7Å; R645-D687 PolarHBondContact NH2-OD2 3.23Å
646	S	92.3	Very high	90.5	Very high	93 Å²	93	49 Å²	49	65%	0.65	25%	0.247	S	C	*	.	H	α-helix	trans	-68.4	-38.1	175.1	50.1	0	0	0	0	112.9	N644 A649	N644-S646 PolarHBondContact O-N 3.28Å; N644-S646 VanDerWaalsContact O-N 3.16Å; S646-A649 WeakPolarHBondContact O-CB 3.12Å; S646-A649 PolarHBondContact O-N 2.93Å
647	E	93.3	Very high	90.2	Very high	104 Å²	104	52.3 Å²	52.3	49%	0.486	26%	0.264	S	S	.	.	H	α-helix	trans	-74.7	-30.9	179.3	-56.7	-167.9	-167.7	0	0	111.9	N644 P650 A737 V740	N644-E647 PolarHBondContact O-N 3.25Å; E647-P650 WeakPolarHBondContact O-CD 3.31Å; E647-A737 WeakPolarHBondContact O-CB 3.37Å; E647-V740 HydrophobicContact CB-CG2 4.29Å; E647-V740 WeakPolarHBondContact OE2-CG2 3.27Å
648	L	93.4	Very high	90.1	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-81.6	-17.7	173.5	-67.2	179.9	0	0	0	113.9	V641 N644 P650 L651 F683 V740 I741 L744	V641-L648 HydrophobicContact CG1-CD1 4.24Å; N644-L648 PolarHBondContact O-N 2.91Å; L648-P650 VanDerWaalsContact C-N 3.29Å; L648-P650 WeakPolarHBondContact O-CD 3.37Å; L648-P650 VanDerWaalsContact O-N 3.14Å; L648-L651 HydrophobicContact CD2-CD1 4.29Å; L648-L651 WeakPolarHBondContact O-CB 3.32Å; L648-L651 PolarHBondContact O-N 3.47Å; L648-F683 HydrophobicContact CB-CE1 4.5Å; L648-F683 HydrophobicContact CB-CZ 3.77Å; L648-F683 HydrophobicContact CD1-CE1 4.3Å; L648-F683 HydrophobicContact CD1-CZ 4.37Å; L648-V740 HydrophobicContact CD2-CB 4.35Å; L648-V740 HydrophobicContact CD2-CG1 4Å; L648-V740 HydrophobicContact CG-CG1 4.35Å; L648-I741 HydrophobicContact CD2-CB 3.98Å; L648-I741 HydrophobicContact CD2-CD1 4.26Å; L648-I741 HydrophobicContact CD2-CG1 3.94Å; L648-L744 HydrophobicContact CD1-CD1 3.8Å; L648-L744 HydrophobicContact CD2-CD1 4.4Å; L648-L744 HydrophobicContact CG-CD1 4.31Å
649	A	92.9	Very high	89.6	Confident	33 Å²	33	55.7 Å²	55.7	27%	0.273	28%	0.279	S	S	.	.	G	3₁₀ helix	trans	-56	-23.9	-179.5	0	0	0	0	0	116.7	R645 S646 L651 T652	R645-A649 PolarHBondContact O-N 3.43Å; R645-A649 VanDerWaalsContact O-N 3.07Å; S646-A649 WeakPolarHBondContact O-CB 3.12Å; S646-A649 PolarHBondContact O-N 2.93Å; A649-L651 PolarHBondContact O-N 2.89Å; A649-T652 PolarHBondContact O-N 3.3Å; A649-T652 PolarHBondContact O-OG1 3Å
650	P	93.9	Very high	89.3	Confident	23 Å²	23	61 Å²	61	15%	0.149	31%	0.305	C	S	.	.	G	3₁₀ helix	trans	-59.6	-30.8	170.1	-27	38.4	0	0	0	113.9	E647 L648 T652 K653 G733 I734 A737	E647-P650 WeakPolarHBondContact O-CD 3.31Å; L648-P650 VanDerWaalsContact C-N 3.29Å; L648-P650 WeakPolarHBondContact O-CD 3.37Å; L648-P650 VanDerWaalsContact O-N 3.14Å; P650-T652 VanDerWaalsContact C-N 3.29Å; P650-T652 PolarHBondContact O-N 3.37Å; P650-K653 PolarHBondContact O-N 3.4Å; P650-G733 WeakPolarHBondContact CB-O 3.27Å; P650-G733 WeakPolarHBondContact CG-O 3.25Å; P650-I734 HydrophobicContact CB-CG1 3.86Å; P650-A737 HydrophobicContact CB-CB 4.41Å; P650-A737 HydrophobicContact CG-CB 4.49Å
651	L	92	Very high	89	Confident	2 Å²	2	59.1 Å²	59.1	1%	0.01	31%	0.307	C	S	.	.	G	3₁₀ helix	trans	-72.6	-16.6	-178.5	-64.8	170.4	0	0	0	113.9	L648 A649 L672 K676 V679 I734 A737 L738 I741	L648-L651 HydrophobicContact CD2-CD1 4.29Å; L648-L651 WeakPolarHBondContact O-CB 3.32Å; L648-L651 PolarHBondContact O-N 3.47Å; A649-L651 PolarHBondContact O-N 2.89Å; L651-L672 HydrophobicContact CD2-CD1 4.44Å; L651-K676 WeakPolarHBondContact O-CB 3.28Å; L651-K676 WeakPolarHBondContact O-CG 3.45Å; L651-V679 HydrophobicContact CD1-CG2 4.49Å; L651-I734 HydrophobicContact CD2-CG2 3.99Å; L651-A737 HydrophobicContact CD1-CB 3.84Å; L651-A737 HydrophobicContact CD2-CB 4.27Å; L651-A737 HydrophobicContact CG-CB 3.68Å; L651-L738 HydrophobicContact CD2-CD2 4.22Å; L651-L738 HydrophobicContact CD2-CG 4.24Å; L651-I741 HydrophobicContact CD1-CD1 3.89Å
652	T	91.3	Very high	88.5	Confident	44 Å²	44	59.7 Å²	59.7	27%	0.27	31%	0.312	S	S	.	.	G	3₁₀ helix	trans	-90.3	-5.4	179.3	64.7	0	0	0	0	113.6	A649 P650 V679 I680 F683	A649-T652 PolarHBondContact O-N 3.3Å; A649-T652 PolarHBondContact O-OG1 3Å; P650-T652 VanDerWaalsContact C-N 3.29Å; P650-T652 PolarHBondContact O-N 3.37Å; T652-V679 HydrophobicContact CG2-CG1 3.76Å; T652-I680 HydrophobicContact CG2-CG1 3.89Å; T652-F683 HydrophobicContact CG2-CD2 3.87Å; T652-F683 HydrophobicContact CG2-CE2 3.74Å
653	K	89	Confident	87.8	Confident	132 Å²	132	61.2 Å²	61.2	57%	0.574	33%	0.333	S	S	*	.	S	Bend	trans	-79.5	177.7	-175.9	-63.5	-177.2	-177.5	176.7	0	112.5	P650 K676	P650-K653 PolarHBondContact O-N 3.4Å; K653-K676 WeakPolarHBondContact O-CD 3.45Å; K653-K676 WeakPolarHBondContact O-CE 3.48Å; K653-K676 PolarHBondContact O-NZ 2.85Å
654	E	84.4	Confident	86.6	Confident	120 Å²	120	66 Å²	66	56%	0.561	36%	0.358	S	S	*	.			trans	-67.8	130.5	170.4	-72	-66.8	89.9	0	0	110.7	K656 K676	E654-K656 WeakPolarHBondContact OE2-CE 3.36Å; E654-K656 IonicContact OE2-NZ 3.76Å; E654-K656 PolarHBondContact OE2-NZ 3.24Å; E654-K676 IonicContact OE1-NZ 2.83Å; E654-K676 PolarHBondContact OE1-NZ 3.31Å
655	L	86.6	Confident	84.9	Confident	4 Å²	4	69 Å²	69	2%	0.021	38%	0.382	C	S	.	.			trans	-104.7	1.3	-174.5	-61.9	173.8	0	0	0	113.6	D657 I658 E659 L672 K676 I734	L655-D657 VanDerWaalsContact C-N 3.25Å; L655-D657 PolarHBondContact O-N 2.87Å; L655-D657 VanDerWaalsContact O-N 3.16Å; L655-I658 HydrophobicContact CD2-CD1 4.46Å; L655-I658 WeakPolarHBondContact O-CB 3.43Å; L655-I658 PolarHBondContact O-N 3.39Å; L655-E659 PolarHBondContact O-N 3.32Å; L655-L672 HydrophobicContact CD1-CB 4.37Å; L655-L672 HydrophobicContact CD1-CD2 3.97Å; L655-L672 HydrophobicContact CD1-CG 3.79Å; L655-L672 HydrophobicContact CD2-CD2 4.09Å; L655-K676 HydrophobicContact CD1-CB 3.95Å; L655-K676 HydrophobicContact CD1-CD 3.92Å; L655-K676 HydrophobicContact CG-CD 4.2Å; L655-I734 HydrophobicContact CD2-CD1 3.65Å
656	K	82.9	Confident	83.6	Confident	108 Å²	108	68 Å²	68	47%	0.47	38%	0.384	S	S	.	.	H	α-helix	trans	-51.6	-41.6	-174.9	-69.1	173.5	176.2	138.9	0	113.3	E654 I658 E659 E660	E654-K656 WeakPolarHBondContact OE2-CE 3.36Å; E654-K656 IonicContact OE2-NZ 3.76Å; E654-K656 PolarHBondContact OE2-NZ 3.24Å; K656-I658 PolarHBondContact O-N 3.31Å; K656-E659 WeakPolarHBondContact CA-OE2 3.43Å; K656-E659 PolarHBondContact O-N 2.99Å; K656-E659 VanDerWaalsContact O-N 3.12Å; K656-E660 WeakPolarHBondContact O-CB 3.41Å; K656-E660 WeakPolarHBondContact O-CG 3.25Å; K656-E660 PolarHBondContact O-N 3.21Å
657	D	84.6	Confident	82.8	Confident	80 Å²	80	71.9 Å²	71.9	43%	0.428	39%	0.392	S	S	.	.	H	α-helix	trans	-59.3	-28.8	177.5	-70.1	33.6	0	0	0	113.8	L655 A661 K730 F731	L655-D657 VanDerWaalsContact C-N 3.25Å; L655-D657 PolarHBondContact O-N 2.87Å; L655-D657 VanDerWaalsContact O-N 3.16Å; D657-A661 WeakPolarHBondContact O-CB 3.42Å; D657-A661 PolarHBondContact O-N 3.4Å; D657-K730 WeakPolarHBondContact OD2-CE 3.17Å; D657-K730 IonicContact OD2-NZ 2.68Å; D657-K730 PolarHBondContact OD2-NZ 2.97Å; D657-F731 HydrophobicContact CB-CE1 3.98Å; D657-F731 HydrophobicContact CB-CZ 4.32Å; D657-F731 WeakPolarHBondContact O-CZ 3.45Å
658	I	85.7	Confident	82	Confident	2 Å²	2	70.1 Å²	70.1	1%	0.01	39%	0.385	C	S	.	.	H	α-helix	trans	-80.8	-42.4	175	-67.4	178.7	0	0	0	110.1	L655 K656 E660 A661 A662 I669 L672 V722 V725 F731 I734	L655-I658 HydrophobicContact CD2-CD1 4.46Å; L655-I658 WeakPolarHBondContact O-CB 3.43Å; L655-I658 PolarHBondContact O-N 3.39Å; K656-I658 PolarHBondContact O-N 3.31Å; I658-E660 PolarHBondContact O-N 3.48Å; I658-A661 PolarHBondContact O-N 3.46Å; I658-A662 WeakPolarHBondContact O-CB 3.33Å; I658-A662 PolarHBondContact O-N 3.07Å; I658-I669 HydrophobicContact CG2-CD1 4.15Å; I658-I669 HydrophobicContact CG2-CG2 3.97Å; I658-L672 HydrophobicContact CD1-CD2 4.28Å; I658-L672 HydrophobicContact CG2-CD2 4.4Å; I658-V722 HydrophobicContact CD1-CG1 4.4Å; I658-V725 HydrophobicContact CG2-CG2 4.24Å; I658-F731 HydrophobicContact CB-CZ 4.44Å; I658-F731 HydrophobicContact CD1-CB 4.13Å; I658-F731 HydrophobicContact CD1-CD1 3.78Å; I658-F731 HydrophobicContact CD1-CD2 4.43Å; I658-F731 HydrophobicContact CD1-CE1 4.29Å; I658-F731 HydrophobicContact CD1-CG 3.87Å; I658-F731 HydrophobicContact CG1-CB 4.44Å; I658-F731 HydrophobicContact CG1-CD1 3.38Å; I658-F731 HydrophobicContact CG1-CD2 3.88Å; I658-F731 HydrophobicContact CG1-CE1 3.39Å; I658-F731 HydrophobicContact CG1-CE2 3.89Å; I658-F731 HydrophobicContact CG1-CG 3.64Å; I658-F731 HydrophobicContact CG1-CZ 3.65Å; I658-I734 HydrophobicContact CD1-CD1 3.5Å; I658-I734 VanDerWaalsContact CD1-CD1 3.5Å; I658-I734 HydrophobicContact CD1-CG2 4.34Å
659	E	81.8	Confident	81.4	Confident	73 Å²	73	70.4 Å²	70.4	34%	0.341	39%	0.387	S	S	.	.	H	α-helix	trans	-61.1	-44.4	177.4	-61.4	171.5	148.7	0	0	111.1	L655 K656 A661 A662 G663 Q673	L655-E659 PolarHBondContact O-N 3.32Å; K656-E659 WeakPolarHBondContact CA-OE2 3.43Å; K656-E659 PolarHBondContact O-N 2.99Å; K656-E659 VanDerWaalsContact O-N 3.12Å; E659-A661 VanDerWaalsContact C-N 3.34Å; E659-A661 PolarHBondContact O-N 2.86Å; E659-A662 PolarHBondContact O-N 3.33Å; E659-G663 PolarHBondContact O-N 3.02Å; E659-Q673 WeakPolarHBondContact OE1-CG 3.47Å; E659-Q673 PolarHBondContact OE1-NE2 3.47Å
660	E	83.9	Confident	80.9	Confident	158 Å²	158	72.6 Å²	72.6	74%	0.738	40%	0.4	S	S	*	.	H	α-helix	trans	-64	-36	174.1	-72	-179.8	-168.9	0	0	112.6	K656 I658	K656-E660 WeakPolarHBondContact O-CB 3.41Å; K656-E660 WeakPolarHBondContact O-CG 3.25Å; K656-E660 PolarHBondContact O-N 3.21Å; I658-E660 PolarHBondContact O-N 3.48Å
661	A	83	Confident	80.6	Confident	56 Å²	56	73.7 Å²	73.7	46%	0.463	41%	0.407	S	S	.	.	H	α-helix	trans	-73.7	-31.3	176.3	0	0	0	0	0	113.2	D657 I658 E659 V725 F731	D657-A661 WeakPolarHBondContact O-CB 3.42Å; D657-A661 PolarHBondContact O-N 3.4Å; I658-A661 PolarHBondContact O-N 3.46Å; E659-A661 VanDerWaalsContact C-N 3.34Å; E659-A661 PolarHBondContact O-N 2.86Å; A661-V725 HydrophobicContact CB-CB 4.4Å; A661-F731 HydrophobicContact CB-CE2 4.13Å; A661-F731 HydrophobicContact CB-CZ 4.31Å
662	A	81.1	Confident	80.4	Confident	11 Å²	11	73.8 Å²	73.8	9%	0.091	41%	0.407	C	S	.	.	H	α-helix	trans	-79.1	-29.4	178	0	0	0	0	0	113.4	I658 E659 N664 S665 I669 V725	I658-A662 WeakPolarHBondContact O-CB 3.33Å; I658-A662 PolarHBondContact O-N 3.07Å; E659-A662 PolarHBondContact O-N 3.33Å; A662-N664 PolarHBondContact O-N 3.34Å; A662-S665 WeakPolarHBondContact O-CB 3.45Å; A662-S665 PolarHBondContact O-N 2.88Å; A662-I669 HydrophobicContact CB-CD1 3.67Å; A662-I669 HydrophobicContact CB-CG2 4.13Å; A662-V725 HydrophobicContact CB-CG1 4.11Å
663	G	75.6	Confident	80.2	Confident	52 Å²	52	74.3 Å²	74.3	54%	0.536	41%	0.406	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.9	-133.7	-174	0	0	0	0	0	111.6	E659 S665	E659-G663 PolarHBondContact O-N 3.02Å; G663-S665 VanDerWaalsContact C-N 3.28Å; G663-S665 PolarHBondContact O-N 3.5Å
664	N	65.6	Low	80.2	Confident	181 Å²	181	72.6 Å²	72.6	97%	0.968	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83	6.6	-179.9	-66	-7.2	0	0	0	114.1	A662	A662-N664 PolarHBondContact O-N 3.34Å
665	S	58.4	Low	80.6	Confident	102 Å²	102	66.9 Å²	66.9	71%	0.713	38%	0.377	S	S	*	.			trans	-107.8	8.3	-147.2	-156.7	0	0	0	0	118.3	A662 G663	A662-S665 WeakPolarHBondContact O-CB 3.45Å; A662-S665 PolarHBondContact O-N 2.88Å; G663-S665 VanDerWaalsContact C-N 3.28Å; G663-S665 PolarHBondContact O-N 3.5Å
666	T	64.8	Low	80.9	Confident	50 Å²	50	67.6 Å²	67.6	31%	0.307	38%	0.38	S	S	.	.			trans	-149.5	118.5	174.5	39.9	0	0	0	0	112.3	D668 I669 A721	T666-D668 VanDerWaalsContact C-N 3.29Å; T666-D668 PolarHBondContact O-N 3.28Å; T666-I669 PolarHBondContact O-N 3.07Å; T666-I669 WeakPolarHBondContact OG1-CB 3.49Å; T666-I669 WeakPolarHBondContact OG1-CD1 3.34Å; T666-I669 VanDerWaalsContact OG1-CG1 3.29Å; T666-I669 WeakPolarHBondContact OG1-CG1 3.48Å; T666-A721 HydrophobicContact CG2-CB 4.43Å
667	E	74.1	Confident	81.3	Confident	174 Å²	174	65.8 Å²	65.8	81%	0.813	38%	0.381	S	S	*	.	H	α-helix	trans	-60.2	-39.5	171.7	-168.6	168.2	-171.8	0	0	111.1	I669 S670	E667-I669 PolarHBondContact O-N 3.48Å; E667-S670 WeakPolarHBondContact O-CB 3.48Å; E667-S670 PolarHBondContact O-N 3.14Å; E667-S670 PolarHBondContact O-OG 3.02Å
668	D	76.7	Confident	81.8	Confident	67 Å²	67	63.8 Å²	63.8	36%	0.358	37%	0.373	S	S	.	.	H	α-helix	trans	-57	-45.2	177.2	-66.6	-57.5	0	0	0	113.2	T666 S670 T671 L718 A721	T666-D668 VanDerWaalsContact C-N 3.29Å; T666-D668 PolarHBondContact O-N 3.28Å; D668-S670 PolarHBondContact O-N 2.98Å; D668-T671 PolarHBondContact O-N 3.27Å; D668-T671 PolarHBondContact O-OG1 2.89Å; D668-L718 WeakPolarHBondContact O-CD2 3.42Å; D668-A721 HydrophobicContact CB-CB 4Å
669	I	82	Confident	82.2	Confident	7 Å²	7	63.7 Å²	63.7	4%	0.036	37%	0.372	C	S	.	.	H	α-helix	trans	-64.6	-28.3	-178.1	-69.4	-175	0	0	0	111.7	I658 A662 T666 E667 T671 L672 A721 V725	I658-I669 HydrophobicContact CG2-CD1 4.15Å; I658-I669 HydrophobicContact CG2-CG2 3.97Å; A662-I669 HydrophobicContact CB-CD1 3.67Å; A662-I669 HydrophobicContact CB-CG2 4.13Å; T666-I669 PolarHBondContact O-N 3.07Å; T666-I669 WeakPolarHBondContact OG1-CB 3.49Å; T666-I669 WeakPolarHBondContact OG1-CD1 3.34Å; T666-I669 VanDerWaalsContact OG1-CG1 3.29Å; T666-I669 WeakPolarHBondContact OG1-CG1 3.48Å; E667-I669 PolarHBondContact O-N 3.48Å; I669-T671 PolarHBondContact O-N 2.93Å; I669-L672 WeakPolarHBondContact O-CB 3.35Å; I669-L672 PolarHBondContact O-N 3.37Å; I669-A721 HydrophobicContact CD1-CB 4.34Å; I669-A721 HydrophobicContact CG1-CB 3.92Å; I669-V725 HydrophobicContact CD1-CG1 3.98Å; I669-V725 HydrophobicContact CD1-CG2 3.99Å
670	S	80.7	Confident	82.8	Confident	79 Å²	79	63.9 Å²	63.9	55%	0.552	38%	0.375	S	S	*	.	H	α-helix	trans	-61.8	-32.3	175	74.8	0	0	0	0	112.5	E667 D668 L672	E667-S670 WeakPolarHBondContact O-CB 3.48Å; E667-S670 PolarHBondContact O-N 3.14Å; E667-S670 PolarHBondContact O-OG 3.02Å; D668-S670 PolarHBondContact O-N 2.98Å; S670-L672 PolarHBondContact O-N 3.4Å
671	T	88	Confident	83.3	Confident	46 Å²	46	59.2 Å²	59.2	28%	0.282	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.8	-9.1	177.4	73.4	0	0	0	0	113.5	D668 I669 Q673 D674 L675 F713	D668-T671 PolarHBondContact O-N 3.27Å; D668-T671 PolarHBondContact O-OG1 2.89Å; I669-T671 PolarHBondContact O-N 2.93Å; T671-Q673 VanDerWaalsContact C-N 3.28Å; T671-Q673 PolarHBondContact O-N 3.49Å; T671-D674 PolarHBondContact O-N 2.96Å; T671-L675 PolarHBondContact O-N 3.05Å; T671-F713 WeakPolarHBondContact O-CE1 3.26Å
672	L	88	Confident	83.9	Confident	4 Å²	4	56.6 Å²	56.6	2%	0.021	34%	0.338	C	S	.	.	H	α-helix	trans	-67.8	-27.4	179.1	-165.6	70.1	0	0	0	112.3	L651 L655 I658 I669 S670 L675 K676 L718 V722 L738	L651-L672 HydrophobicContact CD2-CD1 4.44Å; L655-L672 HydrophobicContact CD1-CB 4.37Å; L655-L672 HydrophobicContact CD1-CD2 3.97Å; L655-L672 HydrophobicContact CD1-CG 3.79Å; L655-L672 HydrophobicContact CD2-CD2 4.09Å; I658-L672 HydrophobicContact CD1-CD2 4.28Å; I658-L672 HydrophobicContact CG2-CD2 4.4Å; I669-L672 WeakPolarHBondContact O-CB 3.35Å; I669-L672 PolarHBondContact O-N 3.37Å; S670-L672 PolarHBondContact O-N 3.4Å; L672-L675 HydrophobicContact CD1-CD2 4.32Å; L672-K676 WeakPolarHBondContact O-CB 3.36Å; L672-K676 PolarHBondContact O-N 3.12Å; L672-L718 HydrophobicContact CB-CD2 4.33Å; L672-L718 HydrophobicContact CD1-CD2 4.14Å; L672-V722 HydrophobicContact CD2-CG2 4.32Å; L672-L738 HydrophobicContact CD1-CD1 4.48Å; L672-L738 HydrophobicContact CD1-CD2 4.45Å
673	Q	86.5	Confident	84.5	Confident	54 Å²	54	56.9 Å²	56.9	25%	0.252	34%	0.337	S	S	.	.	H	α-helix	trans	-72.2	-36.6	173.1	-72.8	-73.9	4.3	0	0	112.5	E659 T671 K676 S677	E659-Q673 WeakPolarHBondContact OE1-CG 3.47Å; E659-Q673 PolarHBondContact OE1-NE2 3.47Å; T671-Q673 VanDerWaalsContact C-N 3.28Å; T671-Q673 PolarHBondContact O-N 3.49Å; Q673-K676 PolarHBondContact O-N 3.28Å; Q673-S677 WeakPolarHBondContact O-CB 3.43Å; Q673-S677 PolarHBondContact O-N 3.13Å; Q673-S677 PolarHBondContact O-OG 3.4Å
674	D	89.4	Confident	85.4	Confident	96 Å²	96	60.6 Å²	60.6	51%	0.513	34%	0.339	S	S	.	.	H	α-helix	trans	-65.9	-43.5	173	-62.5	-33	0	0	0	109.6	T671 K676 S677 S678 F713	T671-D674 PolarHBondContact O-N 2.96Å; D674-K676 PolarHBondContact O-N 3.25Å; D674-S677 WeakPolarHBondContact O-CB 3.28Å; D674-S677 PolarHBondContact O-N 2.8Å; D674-S678 PolarHBondContact O-N 2.94Å; D674-S678 PolarHBondContact O-OG 3.32Å; D674-S678 VanDerWaalsContact O-OG 3.14Å; D674-F713 HydrophobicContact CB-CE1 4Å; D674-F713 HydrophobicContact CB-CZ 3.88Å
675	L	92.7	Very high	86.7	Confident	0 Å²	0	52.5 Å²	52.5	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-60	-46	173.7	-177.9	58.5	0	0	0	112.2	T671 L672 S677 S678 V679 I710 F713 Y715 L718 L738 I741	T671-L675 PolarHBondContact O-N 3.05Å; L672-L675 HydrophobicContact CD1-CD2 4.32Å; L675-S677 VanDerWaalsContact C-N 3.3Å; L675-S677 PolarHBondContact O-N 3.14Å; L675-S678 PolarHBondContact O-N 3.27Å; L675-V679 HydrophobicContact CD1-CG2 4.1Å; L675-V679 HydrophobicContact CG-CG2 4.38Å; L675-V679 WeakPolarHBondContact O-CG2 3.34Å; L675-V679 PolarHBondContact O-N 3.36Å; L675-I710 HydrophobicContact CD1-CG2 3.91Å; L675-F713 HydrophobicContact CB-CD1 4.09Å; L675-F713 HydrophobicContact CB-CE1 3.82Å; L675-F713 HydrophobicContact CB-CZ 4.15Å; L675-F713 HydrophobicContact CD1-CD2 4.18Å; L675-F713 HydrophobicContact CD1-CE2 4.35Å; L675-F713 HydrophobicContact CD1-CG 4.27Å; L675-Y715 HydrophobicContact CD1-CE1 3.95Å; L675-Y715 HydrophobicContact CD2-CD1 4.33Å; L675-Y715 HydrophobicContact CD2-CE1 4.24Å; L675-L718 HydrophobicContact CD2-CD1 3.99Å; L675-L738 HydrophobicContact CD2-CD2 3.72Å; L675-I741 HydrophobicContact CD1-CD1 4.21Å
676	K	92.6	Very high	88.3	Confident	20 Å²	20	47.6 Å²	47.6	9%	0.087	26%	0.264	C	S	.	.	H	α-helix	trans	-54.3	-47.8	173.6	165.2	176.9	172.5	179	0	111.4	L651 K653 E654 L655 L672 Q673 D674 S678 V679 I680	L651-K676 WeakPolarHBondContact O-CB 3.28Å; L651-K676 WeakPolarHBondContact O-CG 3.45Å; K653-K676 WeakPolarHBondContact O-CD 3.45Å; K653-K676 WeakPolarHBondContact O-CE 3.48Å; K653-K676 PolarHBondContact O-NZ 2.85Å; E654-K676 IonicContact OE1-NZ 2.83Å; E654-K676 PolarHBondContact OE1-NZ 3.31Å; L655-K676 HydrophobicContact CD1-CB 3.95Å; L655-K676 HydrophobicContact CD1-CD 3.92Å; L655-K676 HydrophobicContact CG-CD 4.2Å; L672-K676 WeakPolarHBondContact O-CB 3.36Å; L672-K676 PolarHBondContact O-N 3.12Å; Q673-K676 PolarHBondContact O-N 3.28Å; D674-K676 PolarHBondContact O-N 3.25Å; K676-S678 VanDerWaalsContact C-N 3.34Å; K676-S678 PolarHBondContact O-N 2.89Å; K676-V679 PolarHBondContact O-N 3.15Å; K676-I680 HydrophobicContact CG-CD1 3.77Å; K676-I680 VanDerWaalsContact O-CG1 3.28Å; K676-I680 WeakPolarHBondContact O-CG1 3.27Å; K676-I680 PolarHBondContact O-N 3.48Å
677	S	92.4	Very high	89.5	Confident	69 Å²	69	48.3 Å²	48.3	48%	0.483	27%	0.266	S	S	.	.	H	α-helix	trans	-63.1	-42	-179.1	-58.8	0	0	0	0	111.3	Q673 D674 L675 I680 S681	Q673-S677 WeakPolarHBondContact O-CB 3.43Å; Q673-S677 PolarHBondContact O-N 3.13Å; Q673-S677 PolarHBondContact O-OG 3.4Å; D674-S677 WeakPolarHBondContact O-CB 3.28Å; D674-S677 PolarHBondContact O-N 2.8Å; L675-S677 VanDerWaalsContact C-N 3.3Å; L675-S677 PolarHBondContact O-N 3.14Å; S677-I680 PolarHBondContact O-N 2.87Å; S677-S681 WeakPolarHBondContact O-CB 3.36Å; S677-S681 PolarHBondContact O-N 3.31Å
678	S	94.2	Very high	90.3	Very high	38 Å²	38	44.4 Å²	44.4	27%	0.266	25%	0.25	S	S	.	.	H	α-helix	trans	-64.5	-43.9	174.5	-63	0	0	0	0	112.7	D674 L675 K676 I680 S681 M682	D674-S678 PolarHBondContact O-N 2.94Å; D674-S678 PolarHBondContact O-OG 3.32Å; D674-S678 VanDerWaalsContact O-OG 3.14Å; L675-S678 PolarHBondContact O-N 3.27Å; K676-S678 VanDerWaalsContact C-N 3.34Å; K676-S678 PolarHBondContact O-N 2.89Å; S678-I680 PolarHBondContact O-N 3.21Å; S678-S681 WeakPolarHBondContact O-CB 3.27Å; S678-S681 PolarHBondContact O-N 2.88Å; S678-M682 WeakPolarHBondContact O-CB 3.45Å; S678-M682 PolarHBondContact O-N 3.02Å
679	V	93.9	Very high	91	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-64.3	-40	177	174.6	0	0	0	0	111.5	L651 T652 L675 K676 M682 F683 I710 I741	L651-V679 HydrophobicContact CD1-CG2 4.49Å; T652-V679 HydrophobicContact CG2-CG1 3.76Å; L675-V679 HydrophobicContact CD1-CG2 4.1Å; L675-V679 HydrophobicContact CG-CG2 4.38Å; L675-V679 WeakPolarHBondContact O-CG2 3.34Å; L675-V679 PolarHBondContact O-N 3.36Å; K676-V679 PolarHBondContact O-N 3.15Å; V679-M682 HydrophobicContact CG1-CE 4.5Å; V679-M682 PolarHBondContact O-N 3.05Å; V679-F683 HydrophobicContact CG1-CD1 4.41Å; V679-F683 HydrophobicContact CG1-CD2 4.23Å; V679-F683 HydrophobicContact CG1-CE1 4.1Å; V679-F683 HydrophobicContact CG1-CE2 3.9Å; V679-F683 HydrophobicContact CG1-CG 4.48Å; V679-F683 HydrophobicContact CG1-CZ 3.83Å; V679-F683 WeakPolarHBondContact O-CB 3.5Å; V679-F683 WeakPolarHBondContact O-CG 3.39Å; V679-F683 PolarHBondContact O-N 3.4Å; V679-I710 HydrophobicContact CB-CD1 4.29Å; V679-I710 HydrophobicContact CG2-CD1 3.61Å; V679-I741 HydrophobicContact CG2-CD1 4.08Å
680	I	94.3	Very high	91.2	Very high	78 Å²	78	42.2 Å²	42.2	40%	0.4	24%	0.238	S	C	.	.	H	α-helix	trans	-62.9	-43.9	174.1	-69.5	167.6	0	0	0	110.9	T652 K676 S677 S678 F683 K684	T652-I680 HydrophobicContact CG2-CG1 3.89Å; K676-I680 HydrophobicContact CG-CD1 3.77Å; K676-I680 VanDerWaalsContact O-CG1 3.28Å; K676-I680 WeakPolarHBondContact O-CG1 3.27Å; K676-I680 PolarHBondContact O-N 3.48Å; S677-I680 PolarHBondContact O-N 2.87Å; S678-I680 PolarHBondContact O-N 3.21Å; I680-F683 PolarHBondContact O-N 3.47Å; I680-K684 PolarHBondContact O-N 3.23Å
681	S	94.7	Very high	91.4	Very high	60 Å²	60	43.3 Å²	43.3	42%	0.42	25%	0.246	S	C	.	.	H	α-helix	trans	-62.9	-45.8	177.5	-165.6	0	0	0	0	112	S677 S678 K684 G685 P708	S677-S681 WeakPolarHBondContact O-CB 3.36Å; S677-S681 PolarHBondContact O-N 3.31Å; S678-S681 WeakPolarHBondContact O-CB 3.27Å; S678-S681 PolarHBondContact O-N 2.88Å; S681-K684 PolarHBondContact O-N 2.99Å; S681-G685 PolarHBondContact O-N 2.96Å; S681-P708 WeakPolarHBondContact OG-CG 3.31Å
682	M	95.5	Very high	91.2	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-60.3	-47.8	176	-178.6	-176.9	63.3	0	0	111.6	V641 S678 V679 K684 G685 I686 I707 P708 I710 L746 F748	V641-M682 HydrophobicContact CG1-CE 3.63Å; V641-M682 HydrophobicContact CG1-SD 4.08Å; S678-M682 WeakPolarHBondContact O-CB 3.45Å; S678-M682 PolarHBondContact O-N 3.02Å; V679-M682 HydrophobicContact CG1-CE 4.5Å; V679-M682 PolarHBondContact O-N 3.05Å; M682-K684 VanDerWaalsContact C-N 3.32Å; M682-K684 PolarHBondContact O-N 3.23Å; M682-G685 PolarHBondContact O-N 3.18Å; M682-I686 HydrophobicContact CG-CD1 4.15Å; M682-I686 WeakPolarHBondContact O-CG1 3.43Å; M682-I686 PolarHBondContact O-N 3.37Å; M682-I707 HydrophobicContact CG-CG2 4.38Å; M682-P708 WeakPolarHBondContact CB-O 3.28Å; M682-I710 HydrophobicContact CB-CD1 4.28Å; M682-I710 HydrophobicContact CB-CG1 4.42Å; M682-I710 HydrophobicContact CE-CD1 3.97Å; M682-I710 HydrophobicContact SD-CD1 4.04Å; M682-I710 HydrophobicContact SD-CG1 4.12Å; M682-L746 HydrophobicContact CE-CD1 3.85Å; M682-L746 HydrophobicContact CE-CD2 4.39Å; M682-L746 HydrophobicContact SD-CD1 3.96Å; M682-L746 HydrophobicContact SD-CD2 4.06Å; M682-L746 HydrophobicContact SD-CG 4.44Å; M682-F748 HydrophobicContact CG-CE2 3.93Å; M682-F748 HydrophobicContact CG-CZ 4.4Å; M682-F748 HydrophobicContact SD-CE2 3.91Å; M682-F748 HydrophobicContact SD-CZ 3.84Å
683	F	94.6	Very high	90.6	Very high	17 Å²	17	49 Å²	49	8%	0.075	28%	0.277	C	S	.	.	H	α-helix	trans	-61.4	-38.9	176.8	-77.5	-0.7	0	0	0	112.6	V641 R645 L648 T652 V679 I680 I686 D687	V641-F683 HydrophobicContact CG1-CE1 4.12Å; R645-F683 HydrophobicContact CG-CD1 4.43Å; R645-F683 HydrophobicContact CG-CD2 4.45Å; R645-F683 HydrophobicContact CG-CE1 3.97Å; R645-F683 HydrophobicContact CG-CE2 4Å; R645-F683 HydrophobicContact CG-CZ 3.74Å; L648-F683 HydrophobicContact CB-CE1 4.5Å; L648-F683 HydrophobicContact CB-CZ 3.77Å; L648-F683 HydrophobicContact CD1-CE1 4.3Å; L648-F683 HydrophobicContact CD1-CZ 4.37Å; T652-F683 HydrophobicContact CG2-CD2 3.87Å; T652-F683 HydrophobicContact CG2-CE2 3.74Å; V679-F683 HydrophobicContact CG1-CD1 4.41Å; V679-F683 HydrophobicContact CG1-CD2 4.23Å; V679-F683 HydrophobicContact CG1-CE1 4.1Å; V679-F683 HydrophobicContact CG1-CE2 3.9Å; V679-F683 HydrophobicContact CG1-CG 4.48Å; V679-F683 HydrophobicContact CG1-CZ 3.83Å; V679-F683 WeakPolarHBondContact O-CB 3.5Å; V679-F683 WeakPolarHBondContact O-CG 3.39Å; V679-F683 PolarHBondContact O-N 3.4Å; I680-F683 PolarHBondContact O-N 3.47Å; F683-I686 HydrophobicContact CD1-CD1 4.48Å; F683-I686 WeakPolarHBondContact O-CB 3.22Å; F683-I686 PolarHBondContact O-N 3.1Å; F683-D687 PolarHBondContact O-N 2.93Å
684	K	93.7	Very high	89.9	Confident	131 Å²	131	48.7 Å²	48.7	57%	0.57	28%	0.275	S	S	*	.	H	α-helix	trans	-64.1	-45.3	173.9	-173.3	-169.3	169.1	-167	0	111.4	I680 S681 M682 I686 D687 D688	I680-K684 PolarHBondContact O-N 3.23Å; S681-K684 PolarHBondContact O-N 2.99Å; M682-K684 VanDerWaalsContact C-N 3.32Å; M682-K684 PolarHBondContact O-N 3.23Å; K684-I686 VanDerWaalsContact C-N 3.25Å; K684-I686 PolarHBondContact O-N 2.98Å; K684-D687 PolarHBondContact O-N 3.28Å; K684-D687 VanDerWaalsContact O-N 3.07Å; K684-D688 PolarHBondContact O-N 3.32Å
685	G	93.3	Very high	88.7	Confident	10 Å²	10	47.7 Å²	47.7	10%	0.103	28%	0.276	C	S	.	.	H	α-helix	trans	-59.2	-37.4	175.5	0	0	0	0	0	112.6	S681 M682 F689	S681-G685 PolarHBondContact O-N 2.96Å; M682-G685 PolarHBondContact O-N 3.18Å; G685-F689 VanDerWaalsContact O-CB 3.24Å; G685-F689 WeakPolarHBondContact O-CB 3.34Å; G685-F689 PolarHBondContact O-N 3.48Å
686	I	92	Very high	87.5	Confident	0 Å²	0	50.4 Å²	50.4	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-64.1	-41.5	172.3	-73.8	169	0	0	0	111.9	I638 V641 I642 M682 F683 K684 F689 L690 I707	I638-I686 HydrophobicContact CG2-CG1 4.34Å; V641-I686 HydrophobicContact CB-CD1 4.25Å; V641-I686 HydrophobicContact CG1-CD1 3.63Å; I642-I686 HydrophobicContact CD1-CG2 3.9Å; I642-I686 HydrophobicContact CG1-CD1 4.45Å; I642-I686 HydrophobicContact CG1-CG2 3.55Å; M682-I686 HydrophobicContact CG-CD1 4.15Å; M682-I686 WeakPolarHBondContact O-CG1 3.43Å; M682-I686 PolarHBondContact O-N 3.37Å; F683-I686 HydrophobicContact CD1-CD1 4.48Å; F683-I686 WeakPolarHBondContact O-CB 3.22Å; F683-I686 PolarHBondContact O-N 3.1Å; K684-I686 VanDerWaalsContact C-N 3.25Å; K684-I686 PolarHBondContact O-N 2.98Å; I686-F689 PolarHBondContact O-N 2.94Å; I686-L690 HydrophobicContact CG2-CD1 3.94Å; I686-L690 HydrophobicContact CG2-CG 4.46Å; I686-L690 WeakPolarHBondContact O-CB 3.32Å; I686-L690 VanDerWaalsContact O-CG 3.3Å; I686-L690 WeakPolarHBondContact O-CG 3.46Å; I686-L690 PolarHBondContact O-N 3.2Å; I686-I707 HydrophobicContact CG1-CD1 4.09Å; I686-I707 HydrophobicContact CG1-CG2 3.95Å
687	D	90.9	Very high	86.4	Confident	65 Å²	65	54.9 Å²	54.9	35%	0.348	32%	0.319	S	S	.	.	H	α-helix	trans	-67.4	-41.7	176.9	-69.5	-33.9	0	0	0	112.2	R645 F683 K684 F689 L690 S691	R645-D687 IonicContact CZ-OD1 2.67Å; R645-D687 VanDerWaalsContact CZ-OD1 3.28Å; R645-D687 IonicContact CZ-OD2 2.68Å; R645-D687 IonicContact NH1-OD1 2.75Å; R645-D687 PolarHBondContact NH1-OD1 3.25Å; R645-D687 IonicContact NH1-OD2 3.83Å; R645-D687 IonicContact NH2-OD1 2.65Å; R645-D687 PolarHBondContact NH2-OD1 2.99Å; R645-D687 IonicContact NH2-OD2 2.7Å; R645-D687 PolarHBondContact NH2-OD2 3.23Å; F683-D687 PolarHBondContact O-N 2.93Å; K684-D687 PolarHBondContact O-N 3.28Å; K684-D687 VanDerWaalsContact O-N 3.07Å; D687-F689 VanDerWaalsContact C-N 3.34Å; D687-L690 PolarHBondContact O-N 2.76Å; D687-S691 WeakPolarHBondContact O-CB 3.32Å; D687-S691 PolarHBondContact O-N 3.24Å; D687-S691 VanDerWaalsContact O-N 3.12Å; D687-S691 PolarHBondContact O-OG 2.96Å
688	D	90.9	Very high	85.7	Confident	91 Å²	91	52.3 Å²	52.3	49%	0.487	30%	0.304	S	S	.	.	H	α-helix	trans	-62.3	-42.5	174.3	-69.4	-27.2	0	0	0	110.1	K684 S691 S692	K684-D688 PolarHBondContact O-N 3.32Å; D688-S691 PolarHBondContact O-N 3.14Å; D688-S692 PolarHBondContact O-N 2.9Å; D688-S692 PolarHBondContact O-OG 3.17Å
689	F	90	Very high	85.2	Confident	4 Å²	4	54.5 Å²	54.5	2%	0.018	31%	0.309	C	S	.	.	H	α-helix	trans	-62.6	-48.8	174.4	169.7	-108.2	0	0	0	113.2	L57 I638 G685 I686 D687 S691 S692 F694 I700 E703 A704 I707	L57-F689 HydrophobicContact CD1-CE1 3.72Å; L57-F689 HydrophobicContact CD1-CZ 3.84Å; L57-F689 HydrophobicContact CD2-CE1 3.88Å; L57-F689 HydrophobicContact CG-CE1 4.46Å; I638-F689 HydrophobicContact CG2-CE1 4.49Å; G685-F689 VanDerWaalsContact O-CB 3.24Å; G685-F689 WeakPolarHBondContact O-CB 3.34Å; G685-F689 PolarHBondContact O-N 3.48Å; I686-F689 PolarHBondContact O-N 2.94Å; D687-F689 VanDerWaalsContact C-N 3.34Å; F689-S691 PolarHBondContact O-N 2.91Å; F689-S692 WeakPolarHBondContact O-CB 3.4Å; F689-S692 PolarHBondContact O-N 2.74Å; F689-S692 VanDerWaalsContact O-N 3.09Å; F689-F694 AromaticContact CD2-CE1 3.96Å; F689-F694 HydrophobicContact CD2-CE1 3.96Å; F689-F694 AromaticContact CD2-CZ 3.91Å; F689-F694 HydrophobicContact CD2-CZ 3.91Å; F689-F694 HydrophobicContact CE1-CZ 4.29Å; F689-F694 AromaticContact CE2-CE1 3.58Å; F689-F694 HydrophobicContact CE2-CE1 3.58Å; F689-F694 AromaticContact CE2-CZ 3.56Å; F689-F694 HydrophobicContact CE2-CZ 3.56Å; F689-F694 HydrophobicContact CG-CZ 4.41Å; F689-F694 HydrophobicContact CZ-CE1 4.19Å; F689-F694 AromaticContact CZ-CZ 3.78Å; F689-F694 HydrophobicContact CZ-CZ 3.78Å; F689-F694 VanDerWaalsContact O-CZ 3.27Å; F689-F694 WeakPolarHBondContact O-CZ 3.41Å; F689-I700 HydrophobicContact CE2-CG1 3.66Å; F689-I700 HydrophobicContact CZ-CD1 4.07Å; F689-I700 HydrophobicContact CZ-CG1 3.63Å; F689-E703 HydrophobicContact CD2-CB 3.83Å; F689-E703 HydrophobicContact CE2-CB 4.24Å; F689-A704 HydrophobicContact CD2-CB 4.19Å; F689-A704 HydrophobicContact CE2-CB 3.67Å; F689-A704 HydrophobicContact CZ-CB 4.13Å; F689-I707 HydrophobicContact CB-CD1 3.75Å; F689-I707 HydrophobicContact CB-CG1 4.04Å; F689-I707 HydrophobicContact CD1-CD1 3.96Å; F689-I707 HydrophobicContact CD2-CD1 4.36Å; F689-I707 HydrophobicContact CG-CD1 3.78Å; F689-I707 HydrophobicContact CG-CG1 4.46Å
690	L	86.9	Confident	84.9	Confident	25 Å²	25	54.5 Å²	54.5	13%	0.131	31%	0.309	C	S	.	.	H	α-helix	trans	-64.6	-18.5	178.1	-74.5	171.2	0	0	0	113.2	P53 V54 L57 I642 I686 D687	P53-L690 HydrophobicContact CB-CB 4.41Å; P53-L690 HydrophobicContact CB-CD2 4.36Å; V54-L690 HydrophobicContact CG2-CD1 4.46Å; L57-L690 HydrophobicContact CB-CD2 4.32Å; L57-L690 HydrophobicContact CD2-CD2 3.83Å; I642-L690 HydrophobicContact CD1-CD1 4.23Å; I642-L690 HydrophobicContact CD1-CD2 4.28Å; I642-L690 HydrophobicContact CD1-CG 4.43Å; I686-L690 HydrophobicContact CG2-CD1 3.94Å; I686-L690 HydrophobicContact CG2-CG 4.46Å; I686-L690 WeakPolarHBondContact O-CB 3.32Å; I686-L690 VanDerWaalsContact O-CG 3.3Å; I686-L690 WeakPolarHBondContact O-CG 3.46Å; I686-L690 PolarHBondContact O-N 3.2Å; D687-L690 PolarHBondContact O-N 2.76Å
691	S	84.6	Confident	84.6	Confident	101 Å²	101	50.9 Å²	50.9	71%	0.706	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.8	-6.4	176.8	-56.7	0	0	0	0	113.7	D687 D688 F689	D687-S691 WeakPolarHBondContact O-CB 3.32Å; D687-S691 PolarHBondContact O-N 3.24Å; D687-S691 VanDerWaalsContact O-N 3.12Å; D687-S691 PolarHBondContact O-OG 2.96Å; D688-S691 PolarHBondContact O-N 3.14Å; F689-S691 PolarHBondContact O-N 2.91Å
692	S	83.6	Confident	84.4	Confident	37 Å²	37	52.5 Å²	52.5	26%	0.259	29%	0.291	S	S	.	.	S	Bend	trans	-80.8	150.4	-177.7	-73.9	0	0	0	0	113.6	D688 F689	D688-S692 PolarHBondContact O-N 2.9Å; D688-S692 PolarHBondContact O-OG 3.17Å; F689-S692 WeakPolarHBondContact O-CB 3.4Å; F689-S692 PolarHBondContact O-N 2.74Å; F689-S692 VanDerWaalsContact O-N 3.09Å
693	D	76.1	Confident	84.1	Confident	132 Å²	132	54.9 Å²	54.9	71%	0.706	30%	0.303	S	S	*	.			trans	-90.1	104.6	175.8	179.9	31.4	0	0	0	111.7	S695	D693-S695 PolarHBondContact O-N 2.96Å
694	F	72.4	Confident	83.9	Confident	49 Å²	49	54.1 Å²	54.1	22%	0.215	30%	0.299	C	S	.	.			trans	-79.1	64.6	177.9	-50.8	-54.9	0	0	0	111.7	I60 F689 S696 I700 E703	I60-F694 HydrophobicContact CD1-CD2 4.17Å; F689-F694 AromaticContact CD2-CE1 3.96Å; F689-F694 HydrophobicContact CD2-CE1 3.96Å; F689-F694 AromaticContact CD2-CZ 3.91Å; F689-F694 HydrophobicContact CD2-CZ 3.91Å; F689-F694 HydrophobicContact CE1-CZ 4.29Å; F689-F694 AromaticContact CE2-CE1 3.58Å; F689-F694 HydrophobicContact CE2-CE1 3.58Å; F689-F694 AromaticContact CE2-CZ 3.56Å; F689-F694 HydrophobicContact CE2-CZ 3.56Å; F689-F694 HydrophobicContact CG-CZ 4.41Å; F689-F694 HydrophobicContact CZ-CE1 4.19Å; F689-F694 AromaticContact CZ-CZ 3.78Å; F689-F694 HydrophobicContact CZ-CZ 3.78Å; F689-F694 VanDerWaalsContact O-CZ 3.27Å; F689-F694 WeakPolarHBondContact O-CZ 3.41Å; F694-S696 PolarHBondContact O-N 2.98Å; F694-I700 HydrophobicContact CD1-CB 3.66Å; F694-I700 HydrophobicContact CD1-CD1 4.48Å; F694-I700 HydrophobicContact CD1-CG1 3.86Å; F694-I700 HydrophobicContact CD2-CD1 4.48Å; F694-I700 HydrophobicContact CE1-CB 4.03Å; F694-I700 HydrophobicContact CE1-CD1 4.48Å; F694-I700 HydrophobicContact CE1-CG1 3.76Å; F694-I700 HydrophobicContact CE2-CD1 4.47Å; F694-I700 HydrophobicContact CG-CB 4.17Å; F694-I700 HydrophobicContact CG-CD1 4.48Å; F694-I700 HydrophobicContact CG-CG1 4.32Å; F694-I700 HydrophobicContact CZ-CD1 4.47Å; F694-I700 HydrophobicContact CZ-CG1 4.14Å; F694-E703 HydrophobicContact CE1-CB 4.29Å
695	S	62.8	Low	83.8	Confident	74 Å²	74	49 Å²	49	52%	0.517	28%	0.282	S	S	.	.			trans	-67.3	-0.1	-177.5	88.1	0	0	0	0	114.9	D693 K699	D693-S695 PolarHBondContact O-N 2.96Å; S695-K699 WeakPolarHBondContact OG-CE 3.44Å; S695-K699 PolarHBondContact OG-NZ 2.91Å
696	S	68.1	Low	83.8	Confident	57 Å²	57	54.8 Å²	54.8	40%	0.399	30%	0.304	S	S	.	.	S	Bend	trans	-167.1	151.6	173.9	57.6	0	0	0	0	110.6	F694 G698 K699	F694-S696 PolarHBondContact O-N 2.98Å; S696-G698 PolarHBondContact O-N 3.38Å; S696-G698 VanDerWaalsContact O-N 3.07Å; S696-K699 PolarHBondContact O-N 2.93Å
697	D	70.4	Confident	83.9	Confident	114 Å²	114	55.2 Å²	55.2	61%	0.61	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.6	-17.9	-174.7	-61	-28.4	0	0	0	114.6	I700 F701	D697-I700 WeakPolarHBondContact O-CG2 3.41Å; D697-F701 VanDerWaalsContact O-CD2 3.29Å; D697-F701 WeakPolarHBondContact O-CD2 3.22Å; D697-F701 WeakPolarHBondContact O-CE2 3.28Å
698	G	76.7	Confident	84	Confident	16 Å²	16	54.4 Å²	54.4	17%	0.165	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.8	-34.2	172.9	0	0	0	0	0	114	S696 I700 F701 E702	S696-G698 PolarHBondContact O-N 3.38Å; S696-G698 VanDerWaalsContact O-N 3.07Å; G698-I700 VanDerWaalsContact C-N 3.3Å; G698-I700 PolarHBondContact O-N 3.23Å; G698-F701 PolarHBondContact O-N 3.32Å; G698-E702 PolarHBondContact O-N 2.93Å
699	K	83.7	Confident	83.9	Confident	83 Å²	83	51.3 Å²	51.3	36%	0.361	29%	0.294	S	S	.	.	H	α-helix	trans	-65.3	-32.9	-175	-81.8	-178.2	171.8	-175.9	0	113.1	S695 S696 F701 E702 E703	S695-K699 WeakPolarHBondContact OG-CE 3.44Å; S695-K699 PolarHBondContact OG-NZ 2.91Å; S696-K699 PolarHBondContact O-N 2.93Å; K699-F701 VanDerWaalsContact C-N 3.28Å; K699-F701 PolarHBondContact O-N 3.42Å; K699-E702 WeakPolarHBondContact O-CB 3.34Å; K699-E702 PolarHBondContact O-N 2.94Å; K699-E702 VanDerWaalsContact O-N 3.14Å; K699-E703 WeakPolarHBondContact O-CG 3.41Å; K699-E703 PolarHBondContact O-N 3Å
700	I	86.8	Confident	84	Confident	1 Å²	1	51.3 Å²	51.3	1%	0.005	29%	0.294	C	S	.	.	H	α-helix	trans	-61.8	-35.4	178.3	-171.6	173.6	0	0	0	112.4	L57 I60 M64 F689 F694 D697 G698 A704	L57-I700 HydrophobicContact CD1-CD1 3.96Å; I60-I700 HydrophobicContact CB-CD1 4.34Å; I60-I700 HydrophobicContact CD1-CD1 4.43Å; I60-I700 HydrophobicContact CG2-CD1 3.5Å; M64-I700 HydrophobicContact CE-CB 4.43Å; M64-I700 HydrophobicContact CE-CD1 4.21Å; M64-I700 HydrophobicContact CE-CG2 3.16Å; M64-I700 HydrophobicContact SD-CD1 4.47Å; M64-I700 HydrophobicContact SD-CG2 4.16Å; F689-I700 HydrophobicContact CE2-CG1 3.66Å; F689-I700 HydrophobicContact CZ-CD1 4.07Å; F689-I700 HydrophobicContact CZ-CG1 3.63Å; F694-I700 HydrophobicContact CD1-CB 3.66Å; F694-I700 HydrophobicContact CD1-CD1 4.48Å; F694-I700 HydrophobicContact CD1-CG1 3.86Å; F694-I700 HydrophobicContact CD2-CD1 4.48Å; F694-I700 HydrophobicContact CE1-CB 4.03Å; F694-I700 HydrophobicContact CE1-CD1 4.48Å; F694-I700 HydrophobicContact CE1-CG1 3.76Å; F694-I700 HydrophobicContact CE2-CD1 4.47Å; F694-I700 HydrophobicContact CG-CB 4.17Å; F694-I700 HydrophobicContact CG-CD1 4.48Å; F694-I700 HydrophobicContact CG-CG1 4.32Å; F694-I700 HydrophobicContact CZ-CD1 4.47Å; F694-I700 HydrophobicContact CZ-CG1 4.14Å; D697-I700 WeakPolarHBondContact O-CG2 3.41Å; G698-I700 VanDerWaalsContact C-N 3.3Å; G698-I700 PolarHBondContact O-N 3.23Å; I700-A704 WeakPolarHBondContact O-CB 3.43Å; I700-A704 PolarHBondContact O-N 3.13Å
701	F	89.8	Confident	84	Confident	2 Å²	2	53 Å²	53	1%	0.009	31%	0.312	C	S	.	.	H	α-helix	trans	-69.2	-39	173.8	-66.1	-77.3	0	0	0	111.3	M64 L628 A631 V632 V635 D697 G698 K699 E703 A705 I753 A756 L760	M64-F701 HydrophobicContact CE-CE2 3.79Å; M64-F701 HydrophobicContact CE-CZ 4.08Å; M64-F701 HydrophobicContact CG-CZ 4.14Å; M64-F701 HydrophobicContact SD-CE1 4.32Å; M64-F701 HydrophobicContact SD-CE2 3.99Å; M64-F701 HydrophobicContact SD-CZ 3.63Å; L628-F701 HydrophobicContact CD1-CZ 4.38Å; A631-F701 HydrophobicContact CB-CD1 3.98Å; A631-F701 HydrophobicContact CB-CE1 3.99Å; V632-F701 HydrophobicContact CG2-CE1 3.88Å; V632-F701 HydrophobicContact CG2-CZ 3.75Å; V635-F701 HydrophobicContact CG2-CD1 3.91Å; V635-F701 HydrophobicContact CG2-CE1 3.95Å; D697-F701 VanDerWaalsContact O-CD2 3.29Å; D697-F701 WeakPolarHBondContact O-CD2 3.22Å; D697-F701 WeakPolarHBondContact O-CE2 3.28Å; G698-F701 PolarHBondContact O-N 3.32Å; K699-F701 VanDerWaalsContact C-N 3.28Å; K699-F701 PolarHBondContact O-N 3.42Å; F701-E703 PolarHBondContact O-N 3.38Å; F701-A705 WeakPolarHBondContact O-CB 3.41Å; F701-A705 PolarHBondContact O-N 3.35Å; F701-I753 HydrophobicContact CB-CG2 4.18Å; F701-I753 HydrophobicContact CD1-CG2 3.9Å; F701-A756 HydrophobicContact CB-CB 4.08Å; F701-A756 HydrophobicContact CD1-CB 3.58Å; F701-A756 HydrophobicContact CD2-CB 3.74Å; F701-A756 HydrophobicContact CE1-CB 3.86Å; F701-A756 HydrophobicContact CE2-CB 4.01Å; F701-A756 HydrophobicContact CG-CB 3.52Å; F701-A756 HydrophobicContact CZ-CB 4.06Å; F701-L760 HydrophobicContact CD2-CD1 4.19Å; F701-L760 HydrophobicContact CE2-CD1 4.05Å
702	E	88.8	Confident	83.9	Confident	94 Å²	94	52.3 Å²	52.3	44%	0.439	32%	0.321	S	S	.	.	H	α-helix	trans	-64.7	-36.8	175.9	-64.6	176	-178.1	0	0	112.8	G698 K699 K706 S757	G698-E702 PolarHBondContact O-N 2.93Å; K699-E702 WeakPolarHBondContact O-CB 3.34Å; K699-E702 PolarHBondContact O-N 2.94Å; K699-E702 VanDerWaalsContact O-N 3.14Å; E702-K706 WeakPolarHBondContact O-CE 3.16Å; E702-K706 WeakPolarHBondContact O-CG 3.36Å; E702-S757 PolarHBondContact OE1-OG 3.45Å
703	E	89.8	Confident	84.1	Confident	50 Å²	50	52.7 Å²	52.7	23%	0.234	32%	0.318	C	S	.	.	H	α-helix	trans	-78.7	-43.6	175	-63.5	-54.7	138.2	0	0	112.5	F689 F694 K699 F701 A705 K706	F689-E703 HydrophobicContact CD2-CB 3.83Å; F689-E703 HydrophobicContact CE2-CB 4.24Å; F694-E703 HydrophobicContact CE1-CB 4.29Å; K699-E703 WeakPolarHBondContact O-CG 3.41Å; K699-E703 PolarHBondContact O-N 3Å; F701-E703 PolarHBondContact O-N 3.38Å; E703-A705 PolarHBondContact O-N 2.8Å; E703-K706 WeakPolarHBondContact O-CB 3.41Å; E703-K706 PolarHBondContact O-N 3.29Å; E703-K706 IonicContact OE1-NZ 2.64Å; E703-K706 PolarHBondContact OE1-NZ 3.48Å; E703-K706 WeakPolarHBondContact OE2-CE 3.27Å; E703-K706 IonicContact OE2-NZ 2.68Å; E703-K706 PolarHBondContact OE2-NZ 2.93Å
704	A	90.5	Very high	84.6	Confident	1 Å²	1	50.8 Å²	50.8	1%	0.008	31%	0.307	C	S	.	.	H	α-helix	trans	-59.7	-36.5	177.4	0	0	0	0	0	111.7	V635 I638 F689 I700 K706 I707 I753	V635-A704 HydrophobicContact CG2-CB 4.03Å; I638-A704 HydrophobicContact CD1-CB 4.05Å; F689-A704 HydrophobicContact CD2-CB 4.19Å; F689-A704 HydrophobicContact CE2-CB 3.67Å; F689-A704 HydrophobicContact CZ-CB 4.13Å; I700-A704 WeakPolarHBondContact O-CB 3.43Å; I700-A704 PolarHBondContact O-N 3.13Å; A704-K706 PolarHBondContact O-N 3.03Å; A704-K706 VanDerWaalsContact O-N 3.1Å; A704-I707 WeakPolarHBondContact O-CB 3.43Å; A704-I707 WeakPolarHBondContact O-CG1 3.47Å; A704-I707 PolarHBondContact O-N 2.89Å; A704-I707 VanDerWaalsContact O-N 3.09Å; A704-I753 HydrophobicContact CB-CG2 4.09Å
705	A	91.4	Very high	85.4	Confident	24 Å²	24	50 Å²	50	20%	0.198	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.4	8.1	175.9	0	0	0	0	0	115.1	F701 E703 I753 K754	F701-A705 WeakPolarHBondContact O-CB 3.41Å; F701-A705 PolarHBondContact O-N 3.35Å; E703-A705 PolarHBondContact O-N 2.8Å; A705-I753 HydrophobicContact CB-CB 3.88Å; A705-I753 HydrophobicContact CB-CG2 4.12Å; A705-K754 HydrophobicContact CB-CD 4.08Å; A705-K754 VanDerWaalsContact CB-CE 3.45Å; A705-K754 HydrophobicContact CB-CG 3.36Å; A705-K754 WeakPolarHBondContact O-CE 3.37Å
706	K	93.3	Very high	86.6	Confident	130 Å²	130	54 Å²	54	57%	0.565	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.9	-11.1	168.1	-55.9	175.2	-166.2	170.8	0	112.5	E702 E703 A704	E702-K706 WeakPolarHBondContact O-CE 3.16Å; E702-K706 WeakPolarHBondContact O-CG 3.36Å; E703-K706 WeakPolarHBondContact O-CB 3.41Å; E703-K706 PolarHBondContact O-N 3.29Å; E703-K706 IonicContact OE1-NZ 2.64Å; E703-K706 PolarHBondContact OE1-NZ 3.48Å; E703-K706 WeakPolarHBondContact OE2-CE 3.27Å; E703-K706 IonicContact OE2-NZ 2.68Å; E703-K706 PolarHBondContact OE2-NZ 2.93Å; A704-K706 PolarHBondContact O-N 3.03Å; A704-K706 VanDerWaalsContact O-N 3.1Å
707	I	93.6	Very high	87.5	Confident	10 Å²	10	53.2 Å²	53.2	5%	0.051	31%	0.306	C	S	.	.	S	Bend	trans	-70.3	123	178	-55.6	177.9	0	0	0	108.1	I638 M682 I686 F689 A704 G709 F748	I638-I707 HydrophobicContact CD1-CD1 3.91Å; I638-I707 HydrophobicContact CG1-CD1 4.18Å; I638-I707 HydrophobicContact CG2-CD1 3.71Å; M682-I707 HydrophobicContact CG-CG2 4.38Å; I686-I707 HydrophobicContact CG1-CD1 4.09Å; I686-I707 HydrophobicContact CG1-CG2 3.95Å; F689-I707 HydrophobicContact CB-CD1 3.75Å; F689-I707 HydrophobicContact CB-CG1 4.04Å; F689-I707 HydrophobicContact CD1-CD1 3.96Å; F689-I707 HydrophobicContact CD2-CD1 4.36Å; F689-I707 HydrophobicContact CG-CD1 3.78Å; F689-I707 HydrophobicContact CG-CG1 4.46Å; A704-I707 WeakPolarHBondContact O-CB 3.43Å; A704-I707 WeakPolarHBondContact O-CG1 3.47Å; A704-I707 PolarHBondContact O-N 2.89Å; A704-I707 VanDerWaalsContact O-N 3.09Å; I707-G709 PolarHBondContact O-N 2.93Å; I707-F748 HydrophobicContact CB-CD2 4.34Å; I707-F748 HydrophobicContact CG2-CD2 3.95Å; I707-F748 HydrophobicContact CG2-CE2 3.71Å
708	P	93.1	Very high	88.3	Confident	48 Å²	48	47.9 Å²	47.9	31%	0.312	28%	0.277	S	S	.	.			trans	-71.4	125.9	178.9	28.3	-31.1	0	0	0	109.9	S681 M682	S681-P708 WeakPolarHBondContact OG-CG 3.31Å; M682-P708 WeakPolarHBondContact CB-O 3.28Å
709	G	90.2	Very high	89	Confident	26 Å²	26	49 Å²	49	27%	0.268	28%	0.278	S	S	.	.			trans	-77.5	178.5	171.6	0	0	0	0	0	113	I707 L746	I707-G709 PolarHBondContact O-N 2.93Å; G709-L746 CarbonylContact C-O 3.48Å; G709-L746 WeakPolarHBondContact CA-O 3.35Å
710	I	91.4	Very high	89.2	Confident	4 Å²	4	47.6 Å²	47.6	2%	0.021	28%	0.282	C	S	.	.			trans	-130.4	111.5	177.5	-47.6	-171.2	0	0	0	109.3	L675 V679 M682 F713 L746 D747	L675-I710 HydrophobicContact CD1-CG2 3.91Å; V679-I710 HydrophobicContact CB-CD1 4.29Å; V679-I710 HydrophobicContact CG2-CD1 3.61Å; M682-I710 HydrophobicContact CB-CD1 4.28Å; M682-I710 HydrophobicContact CB-CG1 4.42Å; M682-I710 HydrophobicContact CE-CD1 3.97Å; M682-I710 HydrophobicContact SD-CD1 4.04Å; M682-I710 HydrophobicContact SD-CG1 4.12Å; I710-F713 HydrophobicContact CG2-CD2 3.6Å; I710-F713 HydrophobicContact CG2-CE2 3.67Å; I710-L746 HydrophobicContact CB-CB 3.85Å; I710-L746 HydrophobicContact CB-CD1 4.08Å; I710-L746 HydrophobicContact CD1-CD1 3.73Å; I710-L746 HydrophobicContact CG1-CB 4.34Å; I710-L746 HydrophobicContact CG1-CD1 4.08Å; I710-L746 PolarHBondContact N-O 3.4Å; I710-L746 CarbonylContact O-C 3.46Å; I710-D747 PolarHBondContact O-N 3.46Å
711	A	87.1	Confident	89.3	Confident	60 Å²	60	47.9 Å²	47.9	50%	0.496	28%	0.284	S	S	.	.			trans	-125.9	163.4	179.1	0	0	0	0	0	111.2	F713 D747	A711-F713 WeakPolarHBondContact O-CD2 3.41Å; A711-D747 HydrophobicContact CB-CB 4.16Å
712	G	83.1	Confident	89.2	Confident	87 Å²	87	47.8 Å²	47.8	90%	0.897	28%	0.284	S	S	*	.	S	Bend	trans	87	-1.7	171.6	0	0	0	0	0	117.2
713	F	86.5	Confident	89.3	Confident	45 Å²	45	47.9 Å²	47.9	20%	0.197	29%	0.285	C	S	.	.			trans	-94.7	140.2	179.4	-66.8	-86.5	0	0	0	113	T671 D674 L675 I710 A711 Y715 L718	T671-F713 WeakPolarHBondContact O-CE1 3.26Å; D674-F713 HydrophobicContact CB-CE1 4Å; D674-F713 HydrophobicContact CB-CZ 3.88Å; L675-F713 HydrophobicContact CB-CD1 4.09Å; L675-F713 HydrophobicContact CB-CE1 3.82Å; L675-F713 HydrophobicContact CB-CZ 4.15Å; L675-F713 HydrophobicContact CD1-CD2 4.18Å; L675-F713 HydrophobicContact CD1-CE2 4.35Å; L675-F713 HydrophobicContact CD1-CG 4.27Å; I710-F713 HydrophobicContact CG2-CD2 3.6Å; I710-F713 HydrophobicContact CG2-CE2 3.67Å; A711-F713 WeakPolarHBondContact O-CD2 3.41Å; F713-Y715 HydrophobicContact CB-CD1 3.97Å; F713-Y715 HydrophobicContact CB-CE1 3.49Å; F713-Y715 VanDerWaalsContact CB-CE1 3.49Å; F713-Y715 HydrophobicContact CG-CE1 4.29Å; F713-Y715 PolarHBondContact O-N 3.25Å; F713-L718 HydrophobicContact CB-CD1 4.41Å; F713-L718 HydrophobicContact CD1-CD1 4.25Å
714	N	87.4	Confident	89.2	Confident	91 Å²	91	49.1 Å²	49.1	49%	0.487	30%	0.303	S	S	.	.			trans	-95.3	86.8	170.3	-174.1	-16.3	0	0	0	110.5	K716 S717 L718	N714-K716 PolarHBondContact O-N 3.01Å; N714-K716 PolarHBondContact OD1-N 3.11Å; N714-S717 PolarHBondContact ND2-OG 3.31Å; N714-S717 PolarHBondContact O-N 3.43Å; N714-S717 PolarHBondContact OD1-N 2.83Å; N714-S717 VanDerWaalsContact OD1-N 3.09Å; N714-L718 PolarHBondContact O-N 3.05Å
715	Y	88.9	Confident	89.1	Confident	34 Å²	34	50.3 Å²	50.3	13%	0.133	31%	0.31	C	S	.	.	H	α-helix	trans	-59.4	-28.5	-177.6	-52.3	-56.3	0	0	0	114	L675 F713 L718 K719 I741 T742	L675-Y715 HydrophobicContact CD1-CE1 3.95Å; L675-Y715 HydrophobicContact CD2-CD1 4.33Å; L675-Y715 HydrophobicContact CD2-CE1 4.24Å; F713-Y715 HydrophobicContact CB-CD1 3.97Å; F713-Y715 HydrophobicContact CB-CE1 3.49Å; F713-Y715 VanDerWaalsContact CB-CE1 3.49Å; F713-Y715 HydrophobicContact CG-CE1 4.29Å; F713-Y715 PolarHBondContact O-N 3.25Å; Y715-L718 HydrophobicContact CD1-CD1 4.48Å; Y715-K719 VanDerWaalsContact O-CB 3.31Å; Y715-K719 WeakPolarHBondContact O-CB 3.11Å; Y715-K719 PolarHBondContact O-N 3.13Å; Y715-I741 HydrophobicContact CD1-CG2 3.35Å; Y715-I741 HydrophobicContact CD2-CG2 4.06Å; Y715-I741 HydrophobicContact CE1-CD1 4.36Å; Y715-I741 HydrophobicContact CE1-CG2 3.7Å; Y715-I741 HydrophobicContact CE2-CG2 4.36Å; Y715-I741 HydrophobicContact CG-CG2 3.55Å; Y715-T742 VanDerWaalsContact CB-OG1 3.29Å; Y715-T742 WeakPolarHBondContact CB-OG1 3.39Å
716	K	87.3	Confident	88.8	Confident	156 Å²	156	50.3 Å²	50.3	68%	0.678	31%	0.307	S	S	*	.	H	α-helix	trans	-72	-43.7	176.6	-68.9	-179.8	-179.1	173	0	112	N714 K719 A720 T742	N714-K716 PolarHBondContact O-N 3.01Å; N714-K716 PolarHBondContact OD1-N 3.11Å; K716-K719 PolarHBondContact O-N 3.01Å; K716-A720 WeakPolarHBondContact O-CB 3.43Å; K716-A720 PolarHBondContact O-N 3.45Å; K716-T742 HydrophobicContact CG-CG2 4.37Å
717	S	87.1	Confident	88.2	Confident	42 Å²	42	50.3 Å²	50.3	29%	0.294	32%	0.318	S	S	.	.	H	α-helix	trans	-63.6	-45.2	172.6	-68.8	0	0	0	0	111.3	N714 K719 A720 A721	N714-S717 PolarHBondContact ND2-OG 3.31Å; N714-S717 PolarHBondContact O-N 3.43Å; N714-S717 PolarHBondContact OD1-N 2.83Å; N714-S717 VanDerWaalsContact OD1-N 3.09Å; S717-K719 PolarHBondContact O-N 3.47Å; S717-A720 PolarHBondContact O-N 3.18Å; S717-A721 WeakPolarHBondContact O-CB 3.5Å; S717-A721 PolarHBondContact O-N 2.95Å
718	L	88.6	Confident	87.6	Confident	1 Å²	1	55.2 Å²	55.2	1%	0.005	35%	0.348	C	S	.	.	H	α-helix	trans	-57.4	-46.4	175.3	-82.2	167.8	0	0	0	112.3	D668 L672 L675 F713 N714 Y715 A721 V722 L738	D668-L718 WeakPolarHBondContact O-CD2 3.42Å; L672-L718 HydrophobicContact CB-CD2 4.33Å; L672-L718 HydrophobicContact CD1-CD2 4.14Å; L675-L718 HydrophobicContact CD2-CD1 3.99Å; F713-L718 HydrophobicContact CB-CD1 4.41Å; F713-L718 HydrophobicContact CD1-CD1 4.25Å; N714-L718 PolarHBondContact O-N 3.05Å; Y715-L718 HydrophobicContact CD1-CD1 4.48Å; L718-A721 PolarHBondContact O-N 2.8Å; L718-V722 WeakPolarHBondContact O-CG2 3.29Å; L718-V722 PolarHBondContact O-N 3.41Å; L718-L738 HydrophobicContact CB-CD1 4.22Å; L718-L738 HydrophobicContact CB-CD2 4.15Å
719	K	90.4	Very high	87.2	Confident	39 Å²	39	54.9 Å²	54.9	17%	0.17	35%	0.354	C	S	.	.	H	α-helix	trans	-59	-50.6	176.2	178.6	171.9	168.9	174.8	0	110.9	Y715 K716 S717 A721 V722 E723 V735 L738 E739	Y715-K719 VanDerWaalsContact O-CB 3.31Å; Y715-K719 WeakPolarHBondContact O-CB 3.11Å; Y715-K719 PolarHBondContact O-N 3.13Å; K716-K719 PolarHBondContact O-N 3.01Å; S717-K719 PolarHBondContact O-N 3.47Å; K719-A721 VanDerWaalsContact C-N 3.3Å; K719-A721 PolarHBondContact O-N 3.24Å; K719-V722 PolarHBondContact O-N 2.8Å; K719-E723 WeakPolarHBondContact CE-OE1 3.47Å; K719-E723 HydrophobicContact CG-CG 4.36Å; K719-E723 IonicContact NZ-OE1 3.79Å; K719-E723 WeakPolarHBondContact O-CB 3.22Å; K719-E723 WeakPolarHBondContact O-CG 3.42Å; K719-E723 PolarHBondContact O-N 2.81Å; K719-V735 HydrophobicContact CD-CG1 4.33Å; K719-V735 HydrophobicContact CG-CG1 4.15Å; K719-L738 HydrophobicContact CB-CB 4.15Å; K719-L738 HydrophobicContact CB-CD1 4.49Å; K719-E739 HydrophobicContact CD-CB 4.27Å; K719-E739 IonicContact NZ-OE1 2.59Å; K719-E739 IonicContact NZ-OE2 2.7Å; K719-E739 PolarHBondContact NZ-OE2 3.44Å
720	A	88.6	Confident	87	Confident	54 Å²	54	59.4 Å²	59.4	45%	0.446	37%	0.366	S	S	.	.	H	α-helix	trans	-61.5	-36.3	179.1	0	0	0	0	0	112.8	K716 S717 A724	K716-A720 WeakPolarHBondContact O-CB 3.43Å; K716-A720 PolarHBondContact O-N 3.45Å; S717-A720 PolarHBondContact O-N 3.18Å; A720-A724 WeakPolarHBondContact O-CB 3.47Å; A720-A724 PolarHBondContact O-N 2.96Å
721	A	88.5	Confident	87	Confident	8 Å²	8	60 Å²	60	7%	0.066	37%	0.369	C	S	.	.	H	α-helix	trans	-68.4	-42.2	176.5	0	0	0	0	0	112.1	T666 D668 I669 S717 L718 K719 A724 V725	T666-A721 HydrophobicContact CG2-CB 4.43Å; D668-A721 HydrophobicContact CB-CB 4Å; I669-A721 HydrophobicContact CD1-CB 4.34Å; I669-A721 HydrophobicContact CG1-CB 3.92Å; S717-A721 WeakPolarHBondContact O-CB 3.5Å; S717-A721 PolarHBondContact O-N 2.95Å; L718-A721 PolarHBondContact O-N 2.8Å; K719-A721 VanDerWaalsContact C-N 3.3Å; K719-A721 PolarHBondContact O-N 3.24Å; A721-A724 PolarHBondContact O-N 2.95Å; A721-V725 PolarHBondContact O-N 3.14Å
722	V	88.4	Confident	87	Confident	0 Å²	0	60 Å²	60	0%	0	37%	0.365	C	S	.	.	H	α-helix	trans	-66.9	-42	174.6	176.9	0	0	0	0	111.2	I658 L672 L718 K719 A724 V725 D726 F731 I734 V735 L738	I658-V722 HydrophobicContact CD1-CG1 4.4Å; L672-V722 HydrophobicContact CD2-CG2 4.32Å; L718-V722 WeakPolarHBondContact O-CG2 3.29Å; L718-V722 PolarHBondContact O-N 3.41Å; K719-V722 PolarHBondContact O-N 2.8Å; V722-A724 VanDerWaalsContact C-N 3.28Å; V722-A724 PolarHBondContact O-N 3.16Å; V722-V725 VanDerWaalsContact O-CG2 3.26Å; V722-V725 WeakPolarHBondContact O-CG2 3.35Å; V722-V725 PolarHBondContact O-N 2.9Å; V722-D726 WeakPolarHBondContact O-CB 3.27Å; V722-D726 PolarHBondContact O-N 3.2Å; V722-F731 HydrophobicContact CG1-CB 3.86Å; V722-I734 HydrophobicContact CG1-CG2 4.15Å; V722-I734 HydrophobicContact CG2-CG2 4.3Å; V722-V735 HydrophobicContact CB-CG2 4.37Å; V722-V735 HydrophobicContact CG1-CG2 3.73Å; V722-L738 HydrophobicContact CB-CD1 4.45Å; V722-L738 HydrophobicContact CG2-CD1 3.98Å
723	E	90.5	Very high	87.4	Confident	96 Å²	96	57.3 Å²	57.3	45%	0.449	34%	0.337	S	S	.	.	H	α-helix	trans	-60.7	-35.8	174.5	-73.8	175.8	158.6	0	0	112.3	K719 V725 D726 V735	K719-E723 WeakPolarHBondContact CE-OE1 3.47Å; K719-E723 HydrophobicContact CG-CG 4.36Å; K719-E723 IonicContact NZ-OE1 3.79Å; K719-E723 WeakPolarHBondContact O-CB 3.22Å; K719-E723 WeakPolarHBondContact O-CG 3.42Å; K719-E723 PolarHBondContact O-N 2.81Å; E723-V725 VanDerWaalsContact C-N 3.31Å; E723-V725 PolarHBondContact O-N 2.87Å; E723-D726 PolarHBondContact O-N 3.34Å; E723-V735 HydrophobicContact CG-CG1 3.78Å; E723-V735 HydrophobicContact CG-CG2 3.9Å; E723-V735 WeakPolarHBondContact OE1-CG1 3.49Å
724	A	87.6	Confident	87.6	Confident	76 Å²	76	56 Å²	56	63%	0.628	33%	0.332	S	S	*	.	H	α-helix	trans	-67.1	-28.5	177.7	0	0	0	0	0	113.6	A720 A721 V722	A720-A724 WeakPolarHBondContact O-CB 3.47Å; A720-A724 PolarHBondContact O-N 2.96Å; A721-A724 PolarHBondContact O-N 2.95Å; V722-A724 VanDerWaalsContact C-N 3.28Å; V722-A724 PolarHBondContact O-N 3.16Å
725	V	87.6	Confident	87.7	Confident	25 Å²	25	52.3 Å²	52.3	15%	0.152	31%	0.313	C	S	.	.	H	α-helix	trans	-94.3	-19.3	175.3	-59.2	0	0	0	0	113.1	I658 A661 A662 I669 A721 V722 E723 T727 F731	I658-V725 HydrophobicContact CG2-CG2 4.24Å; A661-V725 HydrophobicContact CB-CB 4.4Å; A662-V725 HydrophobicContact CB-CG1 4.11Å; I669-V725 HydrophobicContact CD1-CG1 3.98Å; I669-V725 HydrophobicContact CD1-CG2 3.99Å; A721-V725 PolarHBondContact O-N 3.14Å; V722-V725 VanDerWaalsContact O-CG2 3.26Å; V722-V725 WeakPolarHBondContact O-CG2 3.35Å; V722-V725 PolarHBondContact O-N 2.9Å; E723-V725 VanDerWaalsContact C-N 3.31Å; E723-V725 PolarHBondContact O-N 2.87Å; V725-T727 PolarHBondContact O-N 3.41Å; V725-F731 HydrophobicContact CG2-CD2 4.3Å; V725-F731 HydrophobicContact CG2-CE2 4.36Å
726	D	85.8	Confident	87.8	Confident	24 Å²	24	55.2 Å²	55.2	13%	0.128	33%	0.331	C	S	.	.			trans	-80.4	58.6	-179.4	-162.5	11.6	0	0	0	114.7	V722 E723 T728 G729 K730 F731 S732	V722-D726 WeakPolarHBondContact O-CB 3.27Å; V722-D726 PolarHBondContact O-N 3.2Å; E723-D726 PolarHBondContact O-N 3.34Å; D726-T728 PolarHBondContact O-N 2.86Å; D726-G729 VanDerWaalsContact OD1-C 3.28Å; D726-G729 VanDerWaalsContact OD1-CA 3.29Å; D726-G729 WeakPolarHBondContact OD1-CA 3.39Å; D726-G729 PolarHBondContact OD1-N 3.04Å; D726-G729 VanDerWaalsContact OD2-CA 3.24Å; D726-G729 WeakPolarHBondContact OD2-CA 3.34Å; D726-K730 PolarHBondContact OD1-N 3.46Å; D726-K730 PolarHBondContact OD2-N 3.46Å; D726-F731 HydrophobicContact CB-CB 4.03Å; D726-F731 HydrophobicContact CB-CD2 3.77Å; D726-F731 HydrophobicContact CB-CG 4.35Å; D726-F731 PolarHBondContact OD1-N 3.48Å; D726-F731 VanDerWaalsContact OD2-C 3.29Å; D726-F731 VanDerWaalsContact OD2-CA 3.32Å; D726-F731 WeakPolarHBondContact OD2-CA 3.45Å; D726-F731 PolarHBondContact OD2-N 3.48Å; D726-S732 PolarHBondContact OD2-N 3.5Å
727	T	80.8	Confident	88.1	Confident	130 Å²	130	47.8 Å²	47.8	80%	0.798	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.3	-4.5	177.9	57.1	0	0	0	0	114.9	V725	V725-T727 PolarHBondContact O-N 3.41Å
728	T	80.9	Confident	88.3	Confident	113 Å²	113	45.8 Å²	45.8	69%	0.693	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-129.6	-1.5	-173.7	58.7	0	0	0	0	114.9	D726 K730	D726-T728 PolarHBondContact O-N 2.86Å; T728-K730 VanDerWaalsContact C-N 3.27Å
729	G	84.2	Confident	88.4	Confident	42 Å²	42	50.2 Å²	50.2	43%	0.433	31%	0.305	S	S	.	.	S	Bend	trans	75.5	10.7	-174.5	0	0	0	0	0	114.5	D726 F731 S732	D726-G729 VanDerWaalsContact OD1-C 3.28Å; D726-G729 VanDerWaalsContact OD1-CA 3.29Å; D726-G729 WeakPolarHBondContact OD1-CA 3.39Å; D726-G729 PolarHBondContact OD1-N 3.04Å; D726-G729 VanDerWaalsContact OD2-CA 3.24Å; D726-G729 WeakPolarHBondContact OD2-CA 3.34Å; G729-F731 VanDerWaalsContact C-N 3.3Å; G729-F731 PolarHBondContact O-N 3.26Å; G729-S732 WeakPolarHBondContact O-CB 3.29Å; G729-S732 PolarHBondContact O-OG 3.32Å
730	K	87.4	Confident	88.3	Confident	121 Å²	121	49.4 Å²	49.4	53%	0.526	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-29.8	-178.8	-177.5	-178.2	174.9	-173.3	0	112.3	D657 D726 T728	D657-K730 WeakPolarHBondContact OD2-CE 3.17Å; D657-K730 IonicContact OD2-NZ 2.68Å; D657-K730 PolarHBondContact OD2-NZ 2.97Å; D726-K730 PolarHBondContact OD1-N 3.46Å; D726-K730 PolarHBondContact OD2-N 3.46Å; T728-K730 VanDerWaalsContact C-N 3.27Å
731	F	89.9	Confident	88.4	Confident	15 Å²	15	46.9 Å²	46.9	7%	0.066	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.5	5.7	-176	-47.5	-50.5	0	0	0	113.4	D657 I658 A661 V722 V725 D726 G729 G733 I734 V735	D657-F731 HydrophobicContact CB-CE1 3.98Å; D657-F731 HydrophobicContact CB-CZ 4.32Å; D657-F731 WeakPolarHBondContact O-CZ 3.45Å; I658-F731 HydrophobicContact CB-CZ 4.44Å; I658-F731 HydrophobicContact CD1-CB 4.13Å; I658-F731 HydrophobicContact CD1-CD1 3.78Å; I658-F731 HydrophobicContact CD1-CD2 4.43Å; I658-F731 HydrophobicContact CD1-CE1 4.29Å; I658-F731 HydrophobicContact CD1-CG 3.87Å; I658-F731 HydrophobicContact CG1-CB 4.44Å; I658-F731 HydrophobicContact CG1-CD1 3.38Å; I658-F731 HydrophobicContact CG1-CD2 3.88Å; I658-F731 HydrophobicContact CG1-CE1 3.39Å; I658-F731 HydrophobicContact CG1-CE2 3.89Å; I658-F731 HydrophobicContact CG1-CG 3.64Å; I658-F731 HydrophobicContact CG1-CZ 3.65Å; A661-F731 HydrophobicContact CB-CE2 4.13Å; A661-F731 HydrophobicContact CB-CZ 4.31Å; V722-F731 HydrophobicContact CG1-CB 3.86Å; V725-F731 HydrophobicContact CG2-CD2 4.3Å; V725-F731 HydrophobicContact CG2-CE2 4.36Å; D726-F731 HydrophobicContact CB-CB 4.03Å; D726-F731 HydrophobicContact CB-CD2 3.77Å; D726-F731 HydrophobicContact CB-CG 4.35Å; D726-F731 PolarHBondContact OD1-N 3.48Å; D726-F731 VanDerWaalsContact OD2-C 3.29Å; D726-F731 VanDerWaalsContact OD2-CA 3.32Å; D726-F731 WeakPolarHBondContact OD2-CA 3.45Å; D726-F731 PolarHBondContact OD2-N 3.48Å; G729-F731 VanDerWaalsContact C-N 3.3Å; G729-F731 PolarHBondContact O-N 3.26Å; F731-G733 PolarHBondContact O-N 3.14Å; F731-I734 WeakPolarHBondContact O-CA 3.49Å; F731-I734 WeakPolarHBondContact O-CB 3.44Å; F731-I734 PolarHBondContact O-N 3.27Å; F731-V735 PolarHBondContact O-N 2.98Å
732	S	88.5	Confident	88.2	Confident	61 Å²	61	48.9 Å²	48.9	43%	0.427	29%	0.294	S	S	.	.	H	α-helix	trans	-44	-37.5	174	52.5	0	0	0	0	114.8	D726 G729 I734 V735 N736	D726-S732 PolarHBondContact OD2-N 3.5Å; G729-S732 WeakPolarHBondContact O-CB 3.29Å; G729-S732 PolarHBondContact O-OG 3.32Å; S732-I734 VanDerWaalsContact C-N 3.34Å; S732-I734 PolarHBondContact O-N 2.88Å; S732-V735 PolarHBondContact O-N 2.97Å; S732-N736 WeakPolarHBondContact O-CB 3.36Å; S732-N736 PolarHBondContact O-N 2.94Å; S732-N736 PolarHBondContact O-OD1 2.85Å
733	G	90.1	Very high	87.9	Confident	30 Å²	30	55.2 Å²	55.2	31%	0.309	33%	0.328	S	S	.	.	H	α-helix	trans	-63.8	-33.5	174.3	0	0	0	0	0	114.3	P650 F731 A737	P650-G733 WeakPolarHBondContact CB-O 3.27Å; P650-G733 WeakPolarHBondContact CG-O 3.25Å; F731-G733 PolarHBondContact O-N 3.14Å; G733-A737 WeakPolarHBondContact O-CB 3.21Å; G733-A737 PolarHBondContact O-N 3.4Å; G733-A737 VanDerWaalsContact O-N 3.11Å
734	I	91.1	Very high	87.6	Confident	18 Å²	18	51.2 Å²	51.2	9%	0.092	31%	0.309	C	S	.	.	H	α-helix	trans	-80.5	-36.9	175.7	-72.7	165.7	0	0	0	110.7	P650 L651 L655 I658 V722 F731 S732 N736 A737 L738	P650-I734 HydrophobicContact CB-CG1 3.86Å; L651-I734 HydrophobicContact CD2-CG2 3.99Å; L655-I734 HydrophobicContact CD2-CD1 3.65Å; I658-I734 HydrophobicContact CD1-CD1 3.5Å; I658-I734 VanDerWaalsContact CD1-CD1 3.5Å; I658-I734 HydrophobicContact CD1-CG2 4.34Å; V722-I734 HydrophobicContact CG1-CG2 4.15Å; V722-I734 HydrophobicContact CG2-CG2 4.3Å; F731-I734 WeakPolarHBondContact O-CA 3.49Å; F731-I734 WeakPolarHBondContact O-CB 3.44Å; F731-I734 PolarHBondContact O-N 3.27Å; S732-I734 VanDerWaalsContact C-N 3.34Å; S732-I734 PolarHBondContact O-N 2.88Å; I734-N736 VanDerWaalsContact C-N 3.35Å; I734-N736 PolarHBondContact O-N 2.95Å; I734-A737 PolarHBondContact O-N 3.06Å; I734-L738 HydrophobicContact CG2-CD1 4.03Å; I734-L738 HydrophobicContact CG2-CG 4.46Å; I734-L738 WeakPolarHBondContact O-CB 3.38Å; I734-L738 WeakPolarHBondContact O-CG 3.23Å; I734-L738 PolarHBondContact O-N 2.89Å
735	V	90.6	Very high	87.4	Confident	13 Å²	13	50.8 Å²	50.8	8%	0.079	30%	0.297	C	S	.	.	H	α-helix	trans	-57.7	-47.9	171.5	176.2	0	0	0	0	110.8	K719 V722 E723 F731 S732 L738 E739	K719-V735 HydrophobicContact CD-CG1 4.33Å; K719-V735 HydrophobicContact CG-CG1 4.15Å; V722-V735 HydrophobicContact CB-CG2 4.37Å; V722-V735 HydrophobicContact CG1-CG2 3.73Å; E723-V735 HydrophobicContact CG-CG1 3.78Å; E723-V735 HydrophobicContact CG-CG2 3.9Å; E723-V735 WeakPolarHBondContact OE1-CG1 3.49Å; F731-V735 PolarHBondContact O-N 2.98Å; S732-V735 PolarHBondContact O-N 2.97Å; V735-L738 PolarHBondContact O-N 3.4Å; V735-E739 PolarHBondContact O-N 2.96Å
736	N	90.8	Very high	87.5	Confident	96 Å²	96	49.7 Å²	49.7	51%	0.513	29%	0.29	S	S	.	.	H	α-helix	trans	-62.9	-44.1	175.6	-68.4	-1.9	0	0	0	111.5	S732 I734 L738 E739 V740	S732-N736 WeakPolarHBondContact O-CB 3.36Å; S732-N736 PolarHBondContact O-N 2.94Å; S732-N736 PolarHBondContact O-OD1 2.85Å; I734-N736 VanDerWaalsContact C-N 3.35Å; I734-N736 PolarHBondContact O-N 2.95Å; N736-L738 VanDerWaalsContact C-N 3.32Å; N736-L738 PolarHBondContact O-N 2.71Å; N736-E739 WeakPolarHBondContact O-CB 3.43Å; N736-E739 PolarHBondContact O-N 3.44Å; N736-E739 VanDerWaalsContact O-N 3.12Å; N736-V740 WeakPolarHBondContact O-CG2 3.41Å; N736-V740 PolarHBondContact O-N 3.35Å
737	A	92.3	Very high	87.7	Confident	0 Å²	0	51 Å²	51	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-62	-37.9	177.9	0	0	0	0	0	112.6	E647 P650 L651 G733 I734 V740 I741	E647-A737 WeakPolarHBondContact O-CB 3.37Å; P650-A737 HydrophobicContact CB-CB 4.41Å; P650-A737 HydrophobicContact CG-CB 4.49Å; L651-A737 HydrophobicContact CD1-CB 3.84Å; L651-A737 HydrophobicContact CD2-CB 4.27Å; L651-A737 HydrophobicContact CG-CB 3.68Å; G733-A737 WeakPolarHBondContact O-CB 3.21Å; G733-A737 PolarHBondContact O-N 3.4Å; G733-A737 VanDerWaalsContact O-N 3.11Å; I734-A737 PolarHBondContact O-N 3.06Å; A737-V740 PolarHBondContact O-N 3.23Å; A737-I741 WeakPolarHBondContact O-CB 3.05Å; A737-I741 PolarHBondContact O-N 3.47Å
738	L	91.4	Very high	88.2	Confident	0 Å²	0	45.1 Å²	45.1	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-69.8	-30.3	174.1	-70.7	167.9	0	0	0	112.6	L651 L672 L675 L718 K719 V722 I734 V735 N736 I741 T742	L651-L738 HydrophobicContact CD2-CD2 4.22Å; L651-L738 HydrophobicContact CD2-CG 4.24Å; L672-L738 HydrophobicContact CD1-CD1 4.48Å; L672-L738 HydrophobicContact CD1-CD2 4.45Å; L675-L738 HydrophobicContact CD2-CD2 3.72Å; L718-L738 HydrophobicContact CB-CD1 4.22Å; L718-L738 HydrophobicContact CB-CD2 4.15Å; K719-L738 HydrophobicContact CB-CB 4.15Å; K719-L738 HydrophobicContact CB-CD1 4.49Å; V722-L738 HydrophobicContact CB-CD1 4.45Å; V722-L738 HydrophobicContact CG2-CD1 3.98Å; I734-L738 HydrophobicContact CG2-CD1 4.03Å; I734-L738 HydrophobicContact CG2-CG 4.46Å; I734-L738 WeakPolarHBondContact O-CB 3.38Å; I734-L738 WeakPolarHBondContact O-CG 3.23Å; I734-L738 PolarHBondContact O-N 2.89Å; V735-L738 PolarHBondContact O-N 3.4Å; N736-L738 VanDerWaalsContact C-N 3.32Å; N736-L738 PolarHBondContact O-N 2.71Å; L738-I741 HydrophobicContact CD2-CG2 4.39Å; L738-I741 WeakPolarHBondContact O-CG2 3.04Å; L738-T742 WeakPolarHBondContact O-CB 3.38Å; L738-T742 PolarHBondContact O-N 3.33Å; L738-T742 VanDerWaalsContact O-N 3.11Å; L738-T742 PolarHBondContact O-OG1 2.94Å
739	E	90.3	Very high	88.5	Confident	93 Å²	93	47.8 Å²	47.8	44%	0.435	27%	0.265	S	S	.	.	H	α-helix	trans	-70.3	-42.4	171.5	-179.4	157.6	-156	0	0	112	K719 V735 N736 T742 N743	K719-E739 HydrophobicContact CD-CB 4.27Å; K719-E739 IonicContact NZ-OE1 2.59Å; K719-E739 IonicContact NZ-OE2 2.7Å; K719-E739 PolarHBondContact NZ-OE2 3.44Å; V735-E739 PolarHBondContact O-N 2.96Å; N736-E739 WeakPolarHBondContact O-CB 3.43Å; N736-E739 PolarHBondContact O-N 3.44Å; N736-E739 VanDerWaalsContact O-N 3.12Å; E739-T742 WeakPolarHBondContact O-CB 3.22Å; E739-T742 PolarHBondContact O-N 3.36Å; E739-N743 PolarHBondContact O-ND2 3.13Å
740	V	89.4	Confident	88.7	Confident	23 Å²	23	50.4 Å²	50.4	14%	0.139	27%	0.265	C	S	.	.	H	α-helix	trans	-62.3	-47.6	173.4	172.6	0	0	0	0	110.6	N644 E647 L648 N736 A737 T742 N743 L744	N644-V740 HydrophobicContact CB-CG1 4.08Å; E647-V740 HydrophobicContact CB-CG2 4.29Å; E647-V740 WeakPolarHBondContact OE2-CG2 3.27Å; L648-V740 HydrophobicContact CD2-CB 4.35Å; L648-V740 HydrophobicContact CD2-CG1 4Å; L648-V740 HydrophobicContact CG-CG1 4.35Å; N736-V740 WeakPolarHBondContact O-CG2 3.41Å; N736-V740 PolarHBondContact O-N 3.35Å; A737-V740 PolarHBondContact O-N 3.23Å; V740-T742 PolarHBondContact O-N 3.47Å; V740-N743 PolarHBondContact O-N 3.14Å; V740-L744 HydrophobicContact CG1-CD1 3.66Å; V740-L744 HydrophobicContact CG1-CG 4.29Å; V740-L744 PolarHBondContact O-N 3.43Å
741	I	90.3	Very high	88.8	Confident	1 Å²	1	45 Å²	45	1%	0.005	24%	0.241	C	C	.	.	H	α-helix	trans	-64	-27.6	179.5	-135.5	173.4	0	0	0	112.6	L648 L651 L675 V679 Y715 A737 L738 N743 L744 L746	L648-I741 HydrophobicContact CD2-CB 3.98Å; L648-I741 HydrophobicContact CD2-CD1 4.26Å; L648-I741 HydrophobicContact CD2-CG1 3.94Å; L651-I741 HydrophobicContact CD1-CD1 3.89Å; L675-I741 HydrophobicContact CD1-CD1 4.21Å; V679-I741 HydrophobicContact CG2-CD1 4.08Å; Y715-I741 HydrophobicContact CD1-CG2 3.35Å; Y715-I741 HydrophobicContact CD2-CG2 4.06Å; Y715-I741 HydrophobicContact CE1-CD1 4.36Å; Y715-I741 HydrophobicContact CE1-CG2 3.7Å; Y715-I741 HydrophobicContact CE2-CG2 4.36Å; Y715-I741 HydrophobicContact CG-CG2 3.55Å; A737-I741 WeakPolarHBondContact O-CB 3.05Å; A737-I741 PolarHBondContact O-N 3.47Å; L738-I741 HydrophobicContact CD2-CG2 4.39Å; L738-I741 WeakPolarHBondContact O-CG2 3.04Å; I741-N743 PolarHBondContact O-N 2.75Å; I741-L744 PolarHBondContact O-N 2.85Å; I741-L746 HydrophobicContact CD1-CD1 3.53Å; I741-L746 HydrophobicContact CG1-CD1 3.43Å; I741-L746 VanDerWaalsContact CG1-CD1 3.43Å; I741-L746 HydrophobicContact CG1-CG 4.12Å
742	T	84.1	Confident	88.8	Confident	50 Å²	50	48.5 Å²	48.5	31%	0.307	26%	0.26	S	S	.	.	H	α-helix	trans	-64.4	-22.7	174.1	-60.4	0	0	0	0	112.3	Y715 K716 L738 E739 V740	Y715-T742 VanDerWaalsContact CB-OG1 3.29Å; Y715-T742 WeakPolarHBondContact CB-OG1 3.39Å; K716-T742 HydrophobicContact CG-CG2 4.37Å; L738-T742 WeakPolarHBondContact O-CB 3.38Å; L738-T742 PolarHBondContact O-N 3.33Å; L738-T742 VanDerWaalsContact O-N 3.11Å; L738-T742 PolarHBondContact O-OG1 2.94Å; E739-T742 WeakPolarHBondContact O-CB 3.22Å; E739-T742 PolarHBondContact O-N 3.36Å; V740-T742 PolarHBondContact O-N 3.47Å
743	N	82.7	Confident	88.9	Confident	132 Å²	132	45.9 Å²	45.9	71%	0.706	24%	0.241	S	C	*	.	H	α-helix	trans	-105	-4.5	179	-58.5	-58.6	0	0	0	113.3	E739 V740 I741	E739-N743 PolarHBondContact O-ND2 3.13Å; V740-N743 PolarHBondContact O-N 3.14Å; I741-N743 PolarHBondContact O-N 2.75Å
744	L	83.5	Confident	88.9	Confident	12 Å²	12	50.7 Å²	50.7	6%	0.063	25%	0.254	C	S	.	.	S	Bend	trans	-104.3	114.9	175.6	-65.7	174.7	0	0	0	108.8	K640 V641 N644 L648 V740 I741 L746	K640-L744 HydrophobicContact CB-CD2 3.8Å; V641-L744 HydrophobicContact CG2-CD1 4.46Å; N644-L744 HydrophobicContact CB-CD1 3.83Å; L648-L744 HydrophobicContact CD1-CD1 3.8Å; L648-L744 HydrophobicContact CD2-CD1 4.4Å; L648-L744 HydrophobicContact CG-CD1 4.31Å; V740-L744 HydrophobicContact CG1-CD1 3.66Å; V740-L744 HydrophobicContact CG1-CG 4.29Å; V740-L744 PolarHBondContact O-N 3.43Å; I741-L744 PolarHBondContact O-N 2.85Å; L744-L746 VanDerWaalsContact C-N 3.35Å; L744-L746 HydrophobicContact CB-CD2 3.76Å; L744-L746 HydrophobicContact CB-CG 4.45Å; L744-L746 WeakPolarHBondContact O-CG 3.25Å; L744-L746 PolarHBondContact O-N 3.4Å
745	D	84.5	Confident	88.7	Confident	67 Å²	67	50.3 Å²	50.3	36%	0.358	25%	0.253	S	S	.	.			trans	-81.4	78.1	-170.4	-173	15.9	0	0	0	111.5	T637 D747 K750 Y751	T637-D745 HydrophobicContact CG2-CB 4.24Å; T637-D745 WeakPolarHBondContact CG2-O 3.31Å; D745-D747 VanDerWaalsContact C-N 3.29Å; D745-D747 PolarHBondContact O-N 3.35Å; D745-K750 WeakPolarHBondContact OD1-CE 3.32Å; D745-K750 IonicContact OD1-NZ 3.01Å; D745-K750 PolarHBondContact OD1-NZ 2.76Å; D745-K750 WeakPolarHBondContact OD2-CE 3.38Å; D745-K750 IonicContact OD2-NZ 3.28Å; D745-K750 PolarHBondContact OD2-NZ 3.16Å; D745-Y751 VanDerWaalsContact CB-OH 3.31Å; D745-Y751 WeakPolarHBondContact CB-OH 3.36Å; D745-Y751 PolarHBondContact O-OH 3.12Å; D745-Y751 PolarHBondContact OD2-OH 2.93Å
746	L	89.5	Confident	88.7	Confident	3 Å²	3	49.7 Å²	49.7	2%	0.016	25%	0.249	C	C	.	.			trans	-75.9	-6.5	-164.9	-58.5	-162.8	0	0	0	115.9	V641 M682 G709 I710 I741 L744 F748	V641-L746 HydrophobicContact CG2-CD2 3.36Å; M682-L746 HydrophobicContact CE-CD1 3.85Å; M682-L746 HydrophobicContact CE-CD2 4.39Å; M682-L746 HydrophobicContact SD-CD1 3.96Å; M682-L746 HydrophobicContact SD-CD2 4.06Å; M682-L746 HydrophobicContact SD-CG 4.44Å; G709-L746 CarbonylContact C-O 3.48Å; G709-L746 WeakPolarHBondContact CA-O 3.35Å; I710-L746 HydrophobicContact CB-CB 3.85Å; I710-L746 HydrophobicContact CB-CD1 4.08Å; I710-L746 HydrophobicContact CD1-CD1 3.73Å; I710-L746 HydrophobicContact CG1-CB 4.34Å; I710-L746 HydrophobicContact CG1-CD1 4.08Å; I710-L746 PolarHBondContact N-O 3.4Å; I710-L746 CarbonylContact O-C 3.46Å; I741-L746 HydrophobicContact CD1-CD1 3.53Å; I741-L746 HydrophobicContact CG1-CD1 3.43Å; I741-L746 VanDerWaalsContact CG1-CD1 3.43Å; I741-L746 HydrophobicContact CG1-CG 4.12Å; L744-L746 VanDerWaalsContact C-N 3.35Å; L744-L746 HydrophobicContact CB-CD2 3.76Å; L744-L746 HydrophobicContact CB-CG 4.45Å; L744-L746 WeakPolarHBondContact O-CG 3.25Å; L744-L746 PolarHBondContact O-N 3.4Å; L746-F748 VanDerWaalsContact C-N 3.3Å; L746-F748 HydrophobicContact CD2-CE1 4.49Å; L746-F748 WeakPolarHBondContact O-CD1 3.39Å; L746-F748 PolarHBondContact O-N 3.44Å
747	D	89.8	Confident	88.5	Confident	51 Å²	51	46 Å²	46	27%	0.273	23%	0.23	S	C	.	.			trans	-76.1	83.3	176.4	179.6	9.1	0	0	0	109.9	I710 A711 D745 E749 K750	I710-D747 PolarHBondContact O-N 3.46Å; A711-D747 HydrophobicContact CB-CB 4.16Å; D745-D747 VanDerWaalsContact C-N 3.29Å; D745-D747 PolarHBondContact O-N 3.35Å; D747-E749 VanDerWaalsContact C-N 3.29Å; D747-E749 PolarHBondContact O-N 3.28Å; D747-E749 PolarHBondContact OD1-N 2.98Å; D747-K750 HydrophobicContact CB-CD 4.1Å; D747-K750 WeakPolarHBondContact O-CD 3.38Å; D747-K750 VanDerWaalsContact O-CG 3.3Å; D747-K750 WeakPolarHBondContact O-CG 3.32Å
748	F	90.3	Very high	88.3	Confident	7 Å²	7	49.3 Å²	49.3	3%	0.031	25%	0.254	C	S	.	.			trans	-72	-19.6	-175.3	-59.6	-23.7	0	0	0	114	T637 I638 V641 M682 I707 L746 K750 Y751	T637-F748 HydrophobicContact CG2-CE1 4.1Å; I638-F748 HydrophobicContact CG1-CD1 4.39Å; I638-F748 HydrophobicContact CG1-CD2 4.15Å; I638-F748 HydrophobicContact CG1-CE1 4.1Å; I638-F748 HydrophobicContact CG1-CE2 3.84Å; I638-F748 HydrophobicContact CG1-CG 4.42Å; I638-F748 HydrophobicContact CG1-CZ 3.81Å; V641-F748 HydrophobicContact CG2-CZ 4.15Å; M682-F748 HydrophobicContact CG-CE2 3.93Å; M682-F748 HydrophobicContact CG-CZ 4.4Å; M682-F748 HydrophobicContact SD-CE2 3.91Å; M682-F748 HydrophobicContact SD-CZ 3.84Å; I707-F748 HydrophobicContact CB-CD2 4.34Å; I707-F748 HydrophobicContact CG2-CD2 3.95Å; I707-F748 HydrophobicContact CG2-CE2 3.71Å; L746-F748 VanDerWaalsContact C-N 3.3Å; L746-F748 HydrophobicContact CD2-CE1 4.49Å; L746-F748 WeakPolarHBondContact O-CD1 3.39Å; L746-F748 PolarHBondContact O-N 3.44Å; F748-K750 VanDerWaalsContact C-N 3.31Å; F748-K750 PolarHBondContact O-N 3.42Å; F748-Y751 HydrophobicContact CD1-CD2 4.45Å; F748-Y751 HydrophobicContact CD1-CE2 4.17Å; F748-Y751 PolarHBondContact O-N 3.08Å
749	E	88.1	Confident	88.4	Confident	169 Å²	169	49.3 Å²	49.3	79%	0.79	25%	0.254	S	S	*	.	G	3₁₀ helix	trans	-67.3	-35.2	-177.4	-64.1	-166.1	163.4	0	0	111.5	D747 Y751 D752	D747-E749 VanDerWaalsContact C-N 3.29Å; D747-E749 PolarHBondContact O-N 3.28Å; D747-E749 PolarHBondContact OD1-N 2.98Å; E749-Y751 PolarHBondContact O-N 2.87Å; E749-Y751 VanDerWaalsContact O-N 3.14Å; E749-D752 PolarHBondContact O-N 3.09Å
750	K	88.4	Confident	88.4	Confident	97 Å²	97	46.2 Å²	46.2	42%	0.422	24%	0.24	S	C	.	.	G	3₁₀ helix	trans	-66.2	-14.1	-179.5	85.5	-164.8	-174.2	170.1	0	114.7	D745 D747 F748 D752	D745-K750 WeakPolarHBondContact OD1-CE 3.32Å; D745-K750 IonicContact OD1-NZ 3.01Å; D745-K750 PolarHBondContact OD1-NZ 2.76Å; D745-K750 WeakPolarHBondContact OD2-CE 3.38Å; D745-K750 IonicContact OD2-NZ 3.28Å; D745-K750 PolarHBondContact OD2-NZ 3.16Å; D747-K750 HydrophobicContact CB-CD 4.1Å; D747-K750 WeakPolarHBondContact O-CD 3.38Å; D747-K750 VanDerWaalsContact O-CG 3.3Å; D747-K750 WeakPolarHBondContact O-CG 3.32Å; F748-K750 VanDerWaalsContact C-N 3.31Å; F748-K750 PolarHBondContact O-N 3.42Å; K750-D752 VanDerWaalsContact C-N 3.32Å
751	Y	89.4	Confident	88.4	Confident	7 Å²	7	52.1 Å²	52.1	3%	0.027	26%	0.264	C	S	.	.	G	3₁₀ helix	trans	-86.1	0.1	178.9	-59.9	-57.8	0	0	0	113.7	L630 L633 G634 T637 D745 F748 E749 I753	L630-Y751 CarbonylContact C-O 3.58Å; L630-Y751 HydrophobicContact CD1-CD1 4.1Å; L630-Y751 WeakPolarHBondContact CG-O 3.48Å; L633-Y751 HydrophobicContact CD2-CD1 4.4Å; L633-Y751 HydrophobicContact CD2-CE1 3.95Å; L633-Y751 HydrophobicContact CG-CD1 4.37Å; L633-Y751 HydrophobicContact CG-CE1 3.94Å; G634-Y751 VanDerWaalsContact CA-CG 3.49Å; T637-Y751 HydrophobicContact CG2-CE2 4.33Å; T637-Y751 PolarHBondContact OG1-OH 2.72Å; T637-Y751 VanDerWaalsContact OG1-OH 3.13Å; D745-Y751 VanDerWaalsContact CB-OH 3.31Å; D745-Y751 WeakPolarHBondContact CB-OH 3.36Å; D745-Y751 PolarHBondContact O-OH 3.12Å; D745-Y751 PolarHBondContact OD2-OH 2.93Å; F748-Y751 HydrophobicContact CD1-CD2 4.45Å; F748-Y751 HydrophobicContact CD1-CE2 4.17Å; F748-Y751 PolarHBondContact O-N 3.08Å; E749-Y751 PolarHBondContact O-N 2.87Å; E749-Y751 VanDerWaalsContact O-N 3.14Å; Y751-I753 PolarHBondContact O-N 3Å
752	D	89.8	Confident	88.4	Confident	88 Å²	88	53.5 Å²	53.5	47%	0.471	28%	0.275	S	S	.	.			trans	34.4	51.8	-178.7	-168.5	14.9	0	0	0	113.7	L630 E749 K750 K754 S755	L630-D752 HydrophobicContact CD2-CB 4.31Å; E749-D752 PolarHBondContact O-N 3.09Å; K750-D752 VanDerWaalsContact C-N 3.32Å; D752-K754 PolarHBondContact O-N 3.28Å; D752-S755 VanDerWaalsContact O-CB 3.31Å; D752-S755 WeakPolarHBondContact O-CB 3.44Å; D752-S755 PolarHBondContact O-N 2.87Å; D752-S755 PolarHBondContact O-OG 2.82Å
753	I	91.4	Very high	88.7	Confident	7 Å²	7	51.4 Å²	51.4	4%	0.036	26%	0.262	C	S	.	.	G	3₁₀ helix	trans	-57.3	-25.8	-166.7	-59.2	179	0	0	0	111.7	V635 I638 F701 A704 A705 Y751 S755	V635-I753 HydrophobicContact CG2-CG2 4.07Å; I638-I753 HydrophobicContact CD1-CD1 3.92Å; F701-I753 HydrophobicContact CB-CG2 4.18Å; F701-I753 HydrophobicContact CD1-CG2 3.9Å; A704-I753 HydrophobicContact CB-CG2 4.09Å; A705-I753 HydrophobicContact CB-CB 3.88Å; A705-I753 HydrophobicContact CB-CG2 4.12Å; Y751-I753 PolarHBondContact O-N 3Å; I753-S755 VanDerWaalsContact C-N 3.31Å; I753-S755 PolarHBondContact O-N 3.35Å
754	K	89.4	Confident	89	Confident	130 Å²	130	50 Å²	50	57%	0.565	26%	0.255	S	S	*	.	G	3₁₀ helix	trans	-69.4	-23.1	179	-60.7	-179.8	-177.3	163.6	0	113.6	A705 D752 A756 S757	A705-K754 HydrophobicContact CB-CD 4.08Å; A705-K754 VanDerWaalsContact CB-CE 3.45Å; A705-K754 HydrophobicContact CB-CG 3.36Å; A705-K754 WeakPolarHBondContact O-CE 3.37Å; D752-K754 PolarHBondContact O-N 3.28Å; K754-A756 PolarHBondContact O-N 3.5Å; K754-S757 PolarHBondContact O-N 3.31Å
755	S	87.2	Confident	89.3	Confident	10 Å²	10	52.4 Å²	52.4	7%	0.07	28%	0.276	C	S	.	.	G	3₁₀ helix	trans	-61.8	-29.5	-179.3	64.3	0	0	0	0	113.3	D627 D752 I753 S757 S758 S759	D627-S755 PolarHBondContact O-OG 3.21Å; D752-S755 VanDerWaalsContact O-CB 3.31Å; D752-S755 WeakPolarHBondContact O-CB 3.44Å; D752-S755 PolarHBondContact O-N 2.87Å; D752-S755 PolarHBondContact O-OG 2.82Å; I753-S755 VanDerWaalsContact C-N 3.31Å; I753-S755 PolarHBondContact O-N 3.35Å; S755-S757 VanDerWaalsContact C-N 3.25Å; S755-S757 PolarHBondContact O-N 3.12Å; S755-S757 VanDerWaalsContact O-N 3.16Å; S755-S758 PolarHBondContact O-N 2.71Å; S755-S758 PolarHBondContact O-OG 3.34Å; S755-S759 PolarHBondContact O-N 2.79Å
756	A	90.1	Very high	89.7	Confident	0 Å²	0	49.3 Å²	49.3	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-54.6	-34.6	179.3	0	0	0	0	0	114.1	L628 A631 F701 K754 S758 S759 L760	L628-A756 HydrophobicContact CD1-CB 4.17Å; A631-A756 HydrophobicContact CB-CB 3.71Å; F701-A756 HydrophobicContact CB-CB 4.08Å; F701-A756 HydrophobicContact CD1-CB 3.58Å; F701-A756 HydrophobicContact CD2-CB 3.74Å; F701-A756 HydrophobicContact CE1-CB 3.86Å; F701-A756 HydrophobicContact CE2-CB 4.01Å; F701-A756 HydrophobicContact CG-CB 3.52Å; F701-A756 HydrophobicContact CZ-CB 4.06Å; K754-A756 PolarHBondContact O-N 3.5Å; A756-S758 PolarHBondContact O-N 3.09Å; A756-S759 PolarHBondContact O-N 3.26Å; A756-L760 WeakPolarHBondContact O-CG 3.34Å; A756-L760 PolarHBondContact O-N 3.26Å
757	S	87.1	Confident	89.7	Confident	18 Å²	18	50.6 Å²	50.6	13%	0.126	27%	0.265	C	S	.	.	H	α-helix	trans	-63.1	-24.3	179.4	-74.6	0	0	0	0	113.4	E702 K754 S755 K761	E702-S757 PolarHBondContact OE1-OG 3.45Å; K754-S757 PolarHBondContact O-N 3.31Å; S755-S757 VanDerWaalsContact C-N 3.25Å; S755-S757 PolarHBondContact O-N 3.12Å; S755-S757 VanDerWaalsContact O-N 3.16Å; S757-K761 WeakPolarHBondContact O-CD 3.3Å; S757-K761 WeakPolarHBondContact O-CG 3.46Å
758	S	88.1	Confident	89.6	Confident	70 Å²	70	53.6 Å²	53.6	49%	0.49	28%	0.281	S	S	.	.	H	α-helix	trans	-77.2	-45.7	168.7	0	0	0	0	0	111	S755 A756 L760 K761 A762	S755-S758 PolarHBondContact O-N 2.71Å; S755-S758 PolarHBondContact O-OG 3.34Å; A756-S758 PolarHBondContact O-N 3.09Å; S758-L760 PolarHBondContact O-N 3.28Å; S758-K761 PolarHBondContact O-N 2.85Å; S758-A762 PolarHBondContact O-N 3.47Å
759	S	92.2	Very high	89.6	Confident	1 Å²	1	58 Å²	58	1%	0.007	30%	0.301	C	S	.	.	H	α-helix	trans	-61.6	-42.7	-177.2	-59.7	0	0	0	0	112.9	I624 D627 S755 A756 K761 A762 L763	I624-S759 PolarHBondContact O-OG 2.94Å; D627-S759 WeakPolarHBondContact CB-OG 3.42Å; S755-S759 PolarHBondContact O-N 2.79Å; A756-S759 PolarHBondContact O-N 3.26Å; S759-K761 PolarHBondContact O-N 3.18Å; S759-A762 PolarHBondContact O-N 3.13Å; S759-L763 WeakPolarHBondContact O-CB 3.46Å; S759-L763 PolarHBondContact O-N 3.22Å
760	L	90.4	Very high	89.8	Confident	27 Å²	27	50 Å²	50	14%	0.141	26%	0.263	C	S	.	.	H	α-helix	trans	-60.4	-44.2	176.5	-66.4	174.5	0	0	0	111.9	L67 L628 F701 A756 S758 A762 L763 D764	L67-L760 HydrophobicContact CD2-CD2 3.62Å; L628-L760 HydrophobicContact CD1-CD2 4.16Å; F701-L760 HydrophobicContact CD2-CD1 4.19Å; F701-L760 HydrophobicContact CE2-CD1 4.05Å; A756-L760 WeakPolarHBondContact O-CG 3.34Å; A756-L760 PolarHBondContact O-N 3.26Å; S758-L760 PolarHBondContact O-N 3.28Å; L760-A762 VanDerWaalsContact C-N 3.34Å; L760-A762 PolarHBondContact O-N 3Å; L760-L763 WeakPolarHBondContact O-CB 3.28Å; L760-L763 PolarHBondContact O-N 3.06Å; L760-L763 VanDerWaalsContact O-N 3.11Å; L760-D764 PolarHBondContact O-N 2.71Å
761	K	89.3	Confident	89.8	Confident	147 Å²	147	48.7 Å²	48.7	64%	0.639	26%	0.258	S	S	*	.	H	α-helix	trans	-64.7	-37.6	177	-67.9	171.5	-174.1	167.8	0	112.6	S757 S758 S759 L763 A765	S757-K761 WeakPolarHBondContact O-CD 3.3Å; S757-K761 WeakPolarHBondContact O-CG 3.46Å; S758-K761 PolarHBondContact O-N 2.85Å; S759-K761 PolarHBondContact O-N 3.18Å; K761-L763 VanDerWaalsContact C-N 3.28Å; K761-A765 PolarHBondContact O-N 2.04Å
762	A	91.1	Very high	89.6	Confident	30 Å²	30	51.1 Å²	51.1	25%	0.248	28%	0.28	C	S	.	.	H	α-helix	trans	-69.3	-30.5	175.1	0	0	0	0	0	111.5	I624 S758 S759 L760 A765 F766	I624-A762 HydrophobicContact CD1-CB 3.57Å; I624-A762 HydrophobicContact CG1-CB 4.19Å; I624-A762 HydrophobicContact CG2-CB 4.43Å; S758-A762 PolarHBondContact O-N 3.47Å; S759-A762 PolarHBondContact O-N 3.13Å; L760-A762 VanDerWaalsContact C-N 3.34Å; L760-A762 PolarHBondContact O-N 3Å; A762-A765 PolarHBondContact O-N 3.47Å; A762-F766 PolarHBondContact O-N 3.04Å
763	L	91	Very high	89.6	Confident	6 Å²	6	49.5 Å²	49.5	3%	0.031	27%	0.273	C	S	.	.	H	α-helix	trans	-72.9	-38.4	176.3	-163	69	0	0	0	112.7	L67 V71 F618 S759 L760 K761 A765 F766 F767	L67-L763 HydrophobicContact CD1-CD2 3.66Å; L67-L763 HydrophobicContact CD2-CD2 4.21Å; L67-L763 HydrophobicContact CG-CD2 4.06Å; V71-L763 HydrophobicContact CG1-CD1 4.47Å; V71-L763 HydrophobicContact CG2-CD1 3.54Å; V71-L763 HydrophobicContact CG2-CD2 3.59Å; V71-L763 HydrophobicContact CG2-CG 4.22Å; F618-L763 HydrophobicContact CE1-CD1 4.45Å; F618-L763 HydrophobicContact CE2-CD1 4.42Å; F618-L763 HydrophobicContact CZ-CD1 3.93Å; S759-L763 WeakPolarHBondContact O-CB 3.46Å; S759-L763 PolarHBondContact O-N 3.22Å; L760-L763 WeakPolarHBondContact O-CB 3.28Å; L760-L763 PolarHBondContact O-N 3.06Å; L760-L763 VanDerWaalsContact O-N 3.11Å; K761-L763 VanDerWaalsContact C-N 3.28Å; L763-A765 VanDerWaalsContact C-N 3.3Å; L763-A765 PolarHBondContact O-N 3.08Å; L763-F766 HydrophobicContact CD1-CD1 3.78Å; L763-F766 WeakPolarHBondContact O-CB 3.32Å; L763-F766 PolarHBondContact O-N 3.47Å; L763-F767 HydrophobicContact CD1-CE2 4.06Å; L763-F767 HydrophobicContact CD1-CZ 4.29Å; L763-F767 HydrophobicContact CD2-CE2 3.76Å; L763-F767 HydrophobicContact CD2-CZ 4.35Å; L763-F767 HydrophobicContact CG-CD2 4.03Å; L763-F767 HydrophobicContact CG-CE2 3.5Å; L763-F767 HydrophobicContact CG-CZ 4.19Å; L763-F767 VanDerWaalsContact O-CD2 3.27Å; L763-F767 WeakPolarHBondContact O-CD2 3.26Å; L763-F767 PolarHBondContact O-N 2.76Å
764	D	88	Confident	89.3	Confident	104 Å²	104	49.2 Å²	49.2	56%	0.556	27%	0.272	S	S	*	.	H	α-helix	trans	-56.7	-45.8	168.5	-71.8	-34.3	0	0	0	110.9	L760 F766 N768	L760-D764 PolarHBondContact O-N 2.71Å; D764-F766 VanDerWaalsContact C-N 3.34Å; D764-F766 PolarHBondContact O-N 3.09Å; D764-N768 PolarHBondContact O-N 2.88Å; D764-N768 PolarHBondContact O-ND2 2.86Å
765	A	90.3	Very high	89.1	Confident	61 Å²	61	46.9 Å²	46.9	50%	0.504	26%	0.262	S	S	.	.	H	α-helix	trans	-64.2	-37.9	177	0	0	0	0	0	112.3	K761 A762 L763 K769	K761-A765 PolarHBondContact O-N 2.04Å; A762-A765 PolarHBondContact O-N 3.47Å; L763-A765 VanDerWaalsContact C-N 3.3Å; L763-A765 PolarHBondContact O-N 3.08Å; A765-K769 WeakPolarHBondContact O-CB 3.36Å; A765-K769 PolarHBondContact O-N 3.23Å; A765-K769 VanDerWaalsContact O-N 3.16Å
766	F	92.6	Very high	88.6	Confident	2 Å²	2	50.2 Å²	50.2	1%	0.009	28%	0.283	C	S	.	.	H	α-helix	trans	-59.9	-55.5	174.2	158.8	-109.2	0	0	0	112.2	I74 L614 F618 A762 L763 D764 N768 K769 Y770	I74-F766 HydrophobicContact CD1-CD1 4.29Å; I74-F766 HydrophobicContact CD1-CE1 3.44Å; I74-F766 VanDerWaalsContact CD1-CE1 3.44Å; I74-F766 HydrophobicContact CD1-CZ 3.75Å; I74-F766 HydrophobicContact CG1-CZ 4.44Å; I74-F766 HydrophobicContact CG2-CE2 4.5Å; I74-F766 HydrophobicContact CG2-CZ 4.27Å; L614-F766 HydrophobicContact CD2-CE2 4.26Å; L614-F766 HydrophobicContact CD2-CZ 3.92Å; F618-F766 HydrophobicContact CB-CD2 3.54Å; F618-F766 HydrophobicContact CB-CE2 3.99Å; F618-F766 HydrophobicContact CB-CG 4.23Å; F618-F766 HydrophobicContact CD1-CD2 4.48Å; F618-F766 HydrophobicContact CD2-CB 3.67Å; F618-F766 HydrophobicContact CD2-CD2 4.19Å; F618-F766 HydrophobicContact CD2-CG 4.02Å; F618-F766 HydrophobicContact CE2-CB 4Å; F618-F766 HydrophobicContact CE2-CG 4.47Å; F618-F766 HydrophobicContact CG-CB 4.22Å; F618-F766 AromaticContact CG-CD2 3.87Å; F618-F766 HydrophobicContact CG-CD2 3.87Å; F618-F766 HydrophobicContact CG-CE2 4.49Å; F618-F766 HydrophobicContact CG-CG 4.06Å; A762-F766 PolarHBondContact O-N 3.04Å; L763-F766 HydrophobicContact CD1-CD1 3.78Å; L763-F766 WeakPolarHBondContact O-CB 3.32Å; L763-F766 PolarHBondContact O-N 3.47Å; D764-F766 VanDerWaalsContact C-N 3.34Å; D764-F766 PolarHBondContact O-N 3.09Å; F766-N768 VanDerWaalsContact C-N 3.31Å; F766-N768 PolarHBondContact O-N 3.2Å; F766-K769 PolarHBondContact O-N 2.75Å; F766-Y770 HydrophobicContact CE2-CD2 4.11Å; F766-Y770 AromaticContact CE2-CG 3.95Å; F766-Y770 HydrophobicContact CE2-CG 3.95Å; F766-Y770 HydrophobicContact CZ-CD1 4.23Å; F766-Y770 HydrophobicContact CZ-CD2 4.36Å; F766-Y770 AromaticContact CZ-CG 3.98Å; F766-Y770 HydrophobicContact CZ-CG 3.98Å; F766-Y770 WeakPolarHBondContact O-CB 3.31Å; F766-Y770 PolarHBondContact O-N 2.96Å
767	F	89.5	Confident	87.4	Confident	30 Å²	30	55.7 Å²	55.7	13%	0.132	32%	0.319	C	S	.	.	H	α-helix	trans	-60.8	-41.7	-173.9	-73.7	-58	0	0	0	112	L70 L347 V352 L356 L763 K769 Y770 E771	L70-F767 HydrophobicContact CD2-CZ 4.07Å; L347-F767 HydrophobicContact CD1-CD1 4.38Å; L347-F767 HydrophobicContact CD1-CE1 3.8Å; L347-F767 HydrophobicContact CD1-CZ 4.28Å; L347-F767 HydrophobicContact CD2-CD1 4.08Å; L347-F767 HydrophobicContact CD2-CD2 4.16Å; L347-F767 HydrophobicContact CD2-CE1 3.75Å; L347-F767 HydrophobicContact CD2-CE2 3.81Å; L347-F767 HydrophobicContact CD2-CG 4.3Å; L347-F767 HydrophobicContact CD2-CZ 3.64Å; L347-F767 HydrophobicContact CG-CE1 4.38Å; L347-F767 HydrophobicContact CG-CZ 4.43Å; V352-F767 HydrophobicContact CG1-CD1 4Å; V352-F767 HydrophobicContact CG1-CE1 4.46Å; L356-F767 HydrophobicContact CD1-CE1 4.11Å; L763-F767 HydrophobicContact CD1-CE2 4.06Å; L763-F767 HydrophobicContact CD1-CZ 4.29Å; L763-F767 HydrophobicContact CD2-CE2 3.76Å; L763-F767 HydrophobicContact CD2-CZ 4.35Å; L763-F767 HydrophobicContact CG-CD2 4.03Å; L763-F767 HydrophobicContact CG-CE2 3.5Å; L763-F767 HydrophobicContact CG-CZ 4.19Å; L763-F767 VanDerWaalsContact O-CD2 3.27Å; L763-F767 WeakPolarHBondContact O-CD2 3.26Å; L763-F767 PolarHBondContact O-N 2.76Å; F767-K769 VanDerWaalsContact C-N 3.34Å; F767-K769 PolarHBondContact O-N 2.91Å; F767-Y770 PolarHBondContact O-N 3.41Å; F767-E771 PolarHBondContact O-N 3.12Å
768	N	88.4	Confident	85.7	Confident	114 Å²	114	61.5 Å²	61.5	61%	0.61	35%	0.354	S	S	*	.	H	α-helix	trans	-59.2	-42.8	173.7	-76.4	-68	0	0	0	112.4	D764 F766 A772	D764-N768 PolarHBondContact O-N 2.88Å; D764-N768 PolarHBondContact O-ND2 2.86Å; F766-N768 VanDerWaalsContact C-N 3.31Å; F766-N768 PolarHBondContact O-N 3.2Å; N768-A772 WeakPolarHBondContact O-CB 3.47Å; N768-A772 PolarHBondContact O-N 2.86Å
769	K	90	Very high	83.6	Confident	101 Å²	101	64.3 Å²	64.3	44%	0.439	37%	0.368	S	S	.	.	H	α-helix	trans	-73.4	-35.4	-179.6	-169.8	174.6	178.6	-159.5	0	112.6	T616 A765 F766 F767 T773	T616-K769 WeakPolarHBondContact O-CE 3.26Å; T616-K769 PolarHBondContact O-NZ 2.93Å; A765-K769 WeakPolarHBondContact O-CB 3.36Å; A765-K769 PolarHBondContact O-N 3.23Å; A765-K769 VanDerWaalsContact O-N 3.16Å; F766-K769 PolarHBondContact O-N 2.75Å; F767-K769 VanDerWaalsContact C-N 3.34Å; F767-K769 PolarHBondContact O-N 2.91Å; K769-T773 WeakPolarHBondContact O-CB 3.29Å; K769-T773 PolarHBondContact O-N 3.31Å; K769-T773 PolarHBondContact O-OG1 2.87Å
770	Y	91.3	Very high	81.3	Confident	0 Å²	0	70.7 Å²	70.7	0%	0	41%	0.407	C	S	.	.	H	α-helix	trans	-67.3	-46.5	177.3	-174.1	-117.8	0	0	0	111.4	V352 L356 E610 A613 L614 S617 F766 F767 A772 T773 L774	V352-Y770 HydrophobicContact CG1-CD1 3.97Å; V352-Y770 HydrophobicContact CG1-CE1 4.27Å; L356-Y770 HydrophobicContact CD2-CE1 3.95Å; L356-Y770 HydrophobicContact CG-CE1 3.99Å; E610-Y770 WeakPolarHBondContact O-CE2 3.34Å; E610-Y770 PolarHBondContact O-OH 2.84Å; A613-Y770 HydrophobicContact CB-CD2 3.95Å; A613-Y770 HydrophobicContact CB-CE2 3.65Å; L614-Y770 HydrophobicContact CD2-CD2 4.03Å; L614-Y770 HydrophobicContact CD2-CE1 4.26Å; L614-Y770 HydrophobicContact CD2-CE2 3.4Å; L614-Y770 VanDerWaalsContact CD2-CE2 3.4Å; L614-Y770 HydrophobicContact CG-CE2 3.93Å; S617-Y770 VanDerWaalsContact OG-CA 3.26Å; S617-Y770 WeakPolarHBondContact OG-CA 3.26Å; S617-Y770 PolarHBondContact OG-N 3.44Å; F766-Y770 HydrophobicContact CE2-CD2 4.11Å; F766-Y770 AromaticContact CE2-CG 3.95Å; F766-Y770 HydrophobicContact CE2-CG 3.95Å; F766-Y770 HydrophobicContact CZ-CD1 4.23Å; F766-Y770 HydrophobicContact CZ-CD2 4.36Å; F766-Y770 AromaticContact CZ-CG 3.98Å; F766-Y770 HydrophobicContact CZ-CG 3.98Å; F766-Y770 WeakPolarHBondContact O-CB 3.31Å; F766-Y770 PolarHBondContact O-N 2.96Å; F767-Y770 PolarHBondContact O-N 3.41Å; Y770-A772 PolarHBondContact O-N 2.78Å; Y770-T773 PolarHBondContact O-N 2.97Å; Y770-L774 HydrophobicContact CD1-CD1 3.95Å; Y770-L774 HydrophobicContact CD2-CD1 4.29Å; Y770-L774 HydrophobicContact CE1-CD1 3.48Å; Y770-L774 VanDerWaalsContact CE1-CD1 3.48Å; Y770-L774 HydrophobicContact CE2-CD1 3.86Å; Y770-L774 HydrophobicContact CE2-CG 4.27Å; Y770-L774 HydrophobicContact CG-CD1 4.33Å; Y770-L774 VanDerWaalsContact CZ-CD1 3.45Å; Y770-L774 WeakPolarHBondContact O-CG 3.32Å; Y770-L774 PolarHBondContact O-N 3.31Å
771	E	88.3	Confident	79.2	Confident	70 Å²	70	76.7 Å²	76.7	33%	0.327	44%	0.438	S	S	.	.	H	α-helix	trans	-59.8	-45.8	174.2	-168.6	168.2	-146	0	0	111.5	S349 V352 F767 T773 L774 F775	S349-E771 PolarHBondContact OG-OE1 3.18Å; V352-E771 HydrophobicContact CG2-CB 3.92Å; V352-E771 HydrophobicContact CG2-CG 4.02Å; F767-E771 PolarHBondContact O-N 3.12Å; E771-T773 VanDerWaalsContact C-N 3.29Å; E771-T773 PolarHBondContact O-N 3.44Å; E771-L774 PolarHBondContact O-N 3.5Å; E771-F775 HydrophobicContact CG-CD2 3.94Å; E771-F775 WeakPolarHBondContact O-CD2 3.38Å; E771-F775 PolarHBondContact O-N 3.32Å
772	A	87.1	Confident	77.2	Confident	57 Å²	57	74.8 Å²	74.8	47%	0.471	44%	0.44	S	S	.	.	H	α-helix	trans	-63.6	-30.4	176.8	0	0	0	0	0	113.8	N768 Y770 P776	N768-A772 WeakPolarHBondContact O-CB 3.47Å; N768-A772 PolarHBondContact O-N 2.86Å; Y770-A772 PolarHBondContact O-N 2.78Å; A772-P776 WeakPolarHBondContact O-CA 3.45Å
773	T	88.4	Confident	74.8	Confident	54 Å²	54	79.4 Å²	79.4	33%	0.331	47%	0.468	S	S	.	.	H	α-helix	trans	-76.4	-37.5	178.2	-59.8	0	0	0	0	111.9	R609 A613 K769 Y770 E771	R609-T773 PolarHBondContact NH2-O 3.32Å; A613-T773 HydrophobicContact CB-CG2 3.77Å; K769-T773 WeakPolarHBondContact O-CB 3.29Å; K769-T773 PolarHBondContact O-N 3.31Å; K769-T773 PolarHBondContact O-OG1 2.87Å; Y770-T773 PolarHBondContact O-N 2.97Å; E771-T773 VanDerWaalsContact C-N 3.29Å; E771-T773 PolarHBondContact O-N 3.44Å
774	L	86.4	Confident	72.6	Confident	2 Å²	2	83.9 Å²	83.9	1%	0.01	51%	0.505	C	S	.	.	H	α-helix	trans	-79.7	-31.8	177.2	-69	176.3	0	0	0	113.2	S355 R609 A613 Y770 E771 P776	S355-L774 VanDerWaalsContact CB-CD1 3.49Å; R609-L774 HydrophobicContact CG-CD2 4.29Å; R609-L774 PolarHBondContact NH1-O 2.89Å; R609-L774 VanDerWaalsContact NH2-C 3.28Å; R609-L774 PolarHBondContact NH2-O 2.75Å; A613-L774 HydrophobicContact CB-CD2 3.69Å; A613-L774 HydrophobicContact CB-CG 4.11Å; Y770-L774 HydrophobicContact CD1-CD1 3.95Å; Y770-L774 HydrophobicContact CD2-CD1 4.29Å; Y770-L774 HydrophobicContact CE1-CD1 3.48Å; Y770-L774 VanDerWaalsContact CE1-CD1 3.48Å; Y770-L774 HydrophobicContact CE2-CD1 3.86Å; Y770-L774 HydrophobicContact CE2-CG 4.27Å; Y770-L774 HydrophobicContact CG-CD1 4.33Å; Y770-L774 VanDerWaalsContact CZ-CD1 3.45Å; Y770-L774 WeakPolarHBondContact O-CG 3.32Å; Y770-L774 PolarHBondContact O-N 3.31Å; E771-L774 PolarHBondContact O-N 3.5Å; L774-P776 VanDerWaalsContact C-CD 3.46Å; L774-P776 WeakPolarHBondContact O-CD 2.8Å
775	F	85.1	Confident	70.3	Confident	81 Å²	81	84.8 Å²	84.8	36%	0.355	52%	0.515	S	S	.	.	S	Bend	trans	-128.9	64.9	-176.1	-48.2	-70.2	0	0	0	110.3	R351 E771	R351-F775 HydrophobicContact CB-CE2 4.02Å; R351-F775 HydrophobicContact CB-CZ 4.17Å; E771-F775 HydrophobicContact CG-CD2 3.94Å; E771-F775 WeakPolarHBondContact O-CD2 3.38Å; E771-F775 PolarHBondContact O-N 3.32Å
776	P	75.2	Confident	67.9	Low	79 Å²	79	87.7 Å²	87.7	51%	0.513	53%	0.529	S	S	.	.			trans	-58.2	137.3	177.9	25.5	-34.4	0	0	0	109.7	A772 L774 T778	A772-P776 WeakPolarHBondContact O-CA 3.45Å; L774-P776 VanDerWaalsContact C-CD 3.46Å; L774-P776 WeakPolarHBondContact O-CD 2.8Å; P776-T778 PolarHBondContact O-N 2.73Å
777	P	65.9	Low	65.4	Low	116 Å²	116	96 Å²	96	75%	0.753	57%	0.572	S	S	*	*			trans	-60.8	129.5	-176.2	24.1	-33.5	0	0	0	110.3	T779	P777-T779 PolarHBondContact O-N 2.63Å
778	T	51.4	Low	62.8	Low	140 Å²	140	100.1 Å²	100.1	86%	0.859	61%	0.605	S	S	*	*			trans	-57.1	110.6	-177.6	-42.4	0	0	0	0	110.1	P776 T780	P776-T778 PolarHBondContact O-N 2.73Å; T778-T780 PolarHBondContact O-N 2.71Å; T778-T780 VanDerWaalsContact O-N 3.08Å
779	T	44.7	Very low	60	Low	128 Å²	128	100 Å²	100	79%	0.785	61%	0.613	S	S	*	*			trans	-58.5	116.9	179.9	-19.7	0	0	0	0	109.3	P777 I781	P777-T779 PolarHBondContact O-N 2.63Å; T779-I781 PolarHBondContact O-N 3.31Å
780	T	42.8	Very low	58.4	Low	136 Å²	136	100.5 Å²	100.5	83%	0.834	63%	0.627	S	S	*	*			trans	-64.9	108	178.8	-1.7	0	0	0	0	109.1	T778	T778-T780 PolarHBondContact O-N 2.71Å; T778-T780 VanDerWaalsContact O-N 3.08Å
781	I	45.5	Very low	55.5	Low	153 Å²	153	105 Å²	105	79%	0.785	66%	0.663	S	S	*	*	P	Polyproline II helix	trans	-63.5	127.4	176.9	-54.1	175.8	0	0	0	107.9	T779	T779-I781 PolarHBondContact O-N 3.31Å
782	P	47.8	Very low	53.6	Low	106 Å²	106	107 Å²	107	69%	0.688	68%	0.683	S	S	*	*	P	Polyproline II helix	trans	-59.6	148.3	174.4	-22.2	33.3	0	0	0	111.2	A784	P782-A784 PolarHBondContact O-N 2.87Å
783	P	41.6	Very low	51	Low	127 Å²	127	108.9 Å²	108.9	83%	0.825	69%	0.693	S	S	*	*	P	Polyproline II helix	trans	-57.3	127.3	-177.2	-24.1	33.8	0	0	0	112.1	T785	P783-T785 PolarHBondContact O-N 2.82Å
784	A	44	Very low	48.3	Very low	100 Å²	100	113.2 Å²	113.2	83%	0.826	71%	0.713	S	S	*	*	P	Polyproline II helix	trans	-64.7	126.8	179.4	0	0	0	0	0	111.3	P782	P782-A784 PolarHBondContact O-N 2.87Å
785	T	39.4	Very low	45.6	Very low	124 Å²	124	122 Å²	122	76%	0.761	76%	0.755	S	S	*	*	P	Polyproline II helix	trans	-66.5	143.4	171.9	-24.8	0	0	0	0	110	P783	P783-T785 PolarHBondContact O-N 2.82Å
786	P	40.9	Very low	43	Very low	122 Å²	122	123.4 Å²	123.4	79%	0.792	77%	0.774	S	S	*	*	P	Polyproline II helix	trans	-67	138	-171.3	-21.6	33.9	0	0	0	113.8
787	L	40.3	Very low	42.3	Very low	175 Å²	175	125.2 Å²	125.2	92%	0.916	79%	0.786	S	S	*	*	P	Polyproline II helix	trans	-68.4	138.2	173.3	-110.6	77.9	0	0	0	112
788	S	33.8	Very low	41.9	Very low	118 Å²	118	124.8 Å²	124.8	83%	0.825	78%	0.783	S	S	*	*			trans	-111.2	151.5	157.4	55.1	0	0	0	0	110.4
789	S	30.6	Very low	41	Very low	111 Å²	111	124.1 Å²	124.1	78%	0.776	79%	0.785	S	S	*	*			trans	-128.9	172.9	-165	-154.2	0	0	0	0	109.2
790	P	55.9	Low	40.5	Very low	112 Å²	112	125.8 Å²	125.8	73%	0.727	78%	0.783	S	S	*	*			cis	-135.6	175.5	-47.5	34.2	-16.9	0	0	0	115.8
791	A	30.4	Very low	40.8	Very low	93 Å²	93	125.4 Å²	125.4	77%	0.769	78%	0.783	S	S	*	*			trans	75.4	168.2	150.1	0	0	0	0	0	120.1
792	P	47.4	Very low	40.6	Very low	114 Å²	114	125.4 Å²	125.4	74%	0.74	78%	0.78	S	S	*	*			cis	-139	175.6	-10.4	37.9	-18.2	0	0	0	118.5
793	S	33.2	Very low	40.8	Very low	96 Å²	96	126.3 Å²	126.3	67%	0.671	79%	0.786	S	S	*	*			trans	87.9	124.5	137	64.3	0	0	0	0	126.6
794	N	31	Very low	40.3	Very low	144 Å²	144	123 Å²	123	77%	0.77	78%	0.775	S	S	*	*			trans	68.2	125.4	131.2	-67.7	-6.7	0	0	0	123.9
795	Q	31.1	Very low	40.8	Very low	188 Å²	188	124 Å²	124	88%	0.879	77%	0.772	S	S	*	*				170.2	163.2	87.5	-120.2	160.6	29.6	0	0	114.7
796	S	29.3	Very low	40.7	Very low	109 Å²	109	130 Å²	130	76%	0.762	78%	0.782	S	S	*	*			trans	-143.1	-169.1	173.8	-36.7	0	0	0	0	108.8
797	P	61.2	Low	40.2	Very low	118 Å²	118	127.2 Å²	127.2	77%	0.766	78%	0.775	S	S	*	*			cis	-118	-110.1	-32.3	31.9	-12.2	0	0	0	110.6
798	P	57.6	Low	39.7	Very low	106 Å²	106	125 Å²	125	69%	0.688	77%	0.773	S	S	*	*				-122.2	170.9	-63.7	37.4	-21.5	0	0	0	115.5
799	S	31.6	Very low	39.8	Very low	127 Å²	127	124.9 Å²	124.9	89%	0.888	77%	0.773	S	S	*	*				174.9	153	124.7	-77.1	0	0	0	0	115
800	Q	36.2	Very low	40.9	Very low	163 Å²	163	125.3 Å²	125.3	76%	0.762	77%	0.773	S	S	*	*			trans	-118	-175.2	-171.3	-130.3	-173.5	-13.3	0	0	110.5
801	P	48.8	Very low	40.7	Very low	127 Å²	127	125.6 Å²	125.6	83%	0.825	78%	0.775	S	S	*	*			cis	-147.5	-167.8	46.4	40.1	-15.6	0	0	0	118.1
802	Q	41	Very low	40.9	Very low	153 Å²	153	125.3 Å²	125.3	72%	0.715	77%	0.773	S	S	*	*			trans	-110.6	178.9	-162.8	-143.8	-174	-20.4	0	0	112.9
803	P	51.9	Low	40.7	Very low	126 Å²	126	125.3 Å²	125.3	82%	0.818	77%	0.772	S	S	*	*				-148.8	173.9	75.6	35	-12.4	0	0	0	117.6
804	G	31.3	Very low	40.6	Very low	58 Å²	58	126.5 Å²	126.5	60%	0.598	78%	0.781	S	S	*	*			trans	-99	-147.9	179.6	0	0	0	0	0	115.3
805	P	54.8	Low	40.7	Very low	119 Å²	119	124 Å²	124	77%	0.773	78%	0.78	S	S	*	*			cis	-151	172.2	27	44.2	-23.7	0	0	0	121.1
806	R	36.4	Very low	41.2	Very low	252 Å²	252	120.6 Å²	120.6	95%	0.951	77%	0.774	S	S	*	*			trans	62.3	148	152	-74.5	175.3	-176.8	-179.2	1.4	121.4
807	G	30	Very low	41.3	Very low	63 Å²	63	121.2 Å²	121.2	65%	0.649	78%	0.779	S	S	*	*			cis	-165.3	142.9	-3.2	0	0	0	0	0	111.4
808	S	31.3	Very low	39.8	Very low	127 Å²	127	120 Å²	120	89%	0.888	78%	0.779	S	S	*	*				102.3	115.4	95.8	59.1	0	0	0	0	115.6
809	S	34.4	Very low	39.1	Very low	117 Å²	117	121.1 Å²	121.1	82%	0.818	79%	0.786	S	S	*	*			trans	-108.7	-156.9	-178.6	-21.7	0	0	0	0	111.2
810	P	55.1	Low	39	Very low	119 Å²	119	123.8 Å²	123.8	77%	0.773	78%	0.784	S	S	*	*			cis	-127	-137	-42.7	39.8	-19.6	0	0	0	109
811	P	51.4	Low	38.6	Very low	118 Å²	118	122.1 Å²	122.1	77%	0.766	79%	0.786	S	S	*	*			cis	-129	-166.9	-29.7	38.6	-18.6	0	0	0	114.6
812	A	34.1	Very low	37.6	Very low	88 Å²	88	122.5 Å²	122.5	73%	0.727	78%	0.781	S	S	*	*			trans	-73.6	173.2	171.4	0	0	0	0	0	113.3
813	P	43.4	Very low	37.1	Very low	113 Å²	113	120.8 Å²	120.8	73%	0.734	78%	0.781	S	S	*	*				-160.2	-173.9	61.6	45.5	-23.3	0	0	0	119.5
814	S	32	Very low	35.9	Very low	121 Å²	121	122.7 Å²	122.7	85%	0.846	78%	0.784	S	S	*	*			trans	70.2	148.9	147.2	-60.3	0	0	0	0	124.2
815	A	32.3	Very low	35.7	Very low	92 Å²	92	124.8 Å²	124.8	76%	0.76	79%	0.79	S	S	*	*			trans	-78.9	168.1	171.4	0	0	0	0	0	113
816	P	41	Very low	34.3	Very low	116 Å²	116	127.1 Å²	127.1	75%	0.753	80%	0.795	S	S	*	*				-159.4	171.1	89.9	42.5	-22.8	0	0	0	118.8
817	S	30.9	Very low	33.9	Very low	123 Å²	123	119.8 Å²	119.8	86%	0.86	79%	0.788	S	S	*	*			trans	50.5	156.4	139.5	-58.3	0	0	0	0	125.7
818	A	30.9	Very low	33.7	Very low	93 Å²	93	124.7 Å²	124.7	77%	0.769	80%	0.798	S	S	*	*			trans	-79.1	-179.3	-176.3	0	0	0	0	0	115.8
819	P	41.5	Very low	33.5	Very low	129 Å²	129	124.4 Å²	124.4	84%	0.838	79%	0.791	S	S	*	*				-136.6	160.6	126.1	38.9	-28.8	0	0	0	115.4
820	E	30.5	Very low	33	Very low	182 Å²	182	126 Å²	126	85%	0.85	79%	0.79	S	S	*	*			trans	-87.2	156.8	166.9	-59	170.9	130.3	0	0	111.3
821	T	28.2	Very low	31.6	Very low	129 Å²	129	126.6 Å²	126.6	79%	0.791	79%	0.787	S	S	*	*				-175.2	125.6	126.8	16.5	0	0	0	0	114.3
822	D	28.1	Very low	30.3	Very low	135 Å²	135	125.9 Å²	125.9	72%	0.722	78%	0.78	S	S	*	*			trans	62.8	104.7	132.5	-61.9	-5.9	0	0	0	124.6
823	T	29	Very low	29.9	Very low	117 Å²	117	128.7 Å²	128.7	72%	0.718	78%	0.783	S	S	*	*				46.6	125.4	123.7	67	0	0	0	0	121.7
824	N	27.5	Very low	29.1	Very low	166 Å²	166	128.4 Å²	128.4	89%	0.888	78%	0.783	S	S	*	*				-157.3	144	111.8	-108.4	-40.7	0	0	0	113.4
825	S	27.2	Very low	29	Very low	101 Å²	101	128.3 Å²	128.3	71%	0.706	78%	0.78	S	S	*	*			trans	-101.7	144.4	-179.9	54.3	0	0	0	0	111.8
826	L	25.6	Very low	28.7	Very low	168 Å²	168	128 Å²	128	88%	0.88	78%	0.777	S	S	*	*			trans	-162.9	113.2	146.3	-112	155.6	0	0	0	110.7
827	A	28	Very low	28.1	Very low	98 Å²	98	129.4 Å²	129.4	81%	0.81	78%	0.778	S	S	*	*			trans	-89.7	139.9	164.8	0	0	0	0	0	108.6
828	L	24.4	Very low	28.3	Very low	166 Å²	166	128.5 Å²	128.5	87%	0.869	77%	0.77	S	S	*	*			trans	-125.4	134.3	166.3	-150.5	78.3	0	0	0	109.3
829	V	27.6	Very low	28.1	Very low	121 Å²	121	130.5 Å²	130.5	73%	0.733	77%	0.773	S	S	*	*			trans	-79.6	143.4	174.9	172.2	0	0	0	0	108.6
830	D	23.8	Very low	27.7	Very low	150 Å²	150	130.1 Å²	130.1	80%	0.802	77%	0.77	S	S	*	*			trans	-145.7	149.5	139.3	-140	-15.5	0	0	0	112.7
831	L	26	Very low	28.1	Very low	133 Å²	133	130.8 Å²	130.8	70%	0.696	77%	0.773	S	S	*	*			trans	-87.4	-177.5	162.1	-60.6	119.7	0	0	0	106.7
832	T	24.5	Very low	28.6	Very low	103 Å²	103	131.3 Å²	131.3	63%	0.632	78%	0.776	S	S	*	*			cis	-171.3	169.9	31	-19.5	0	0	0	0	108.5
833	D	25	Very low	29.4	Very low	146 Å²	146	129.1 Å²	129.1	78%	0.781	77%	0.771	S	S	*	*			trans	72	115.1	146.7	-62.3	-19.5	0	0	0	123.6
834	S	27.9	Very low	29.8	Very low	107 Å²	107	125.7 Å²	125.7	75%	0.748	76%	0.759	S	S	*	*			trans	-58	159.5	152.4	178	0	0	0	0	112.7
835	P	28.4	Very low	30.3	Very low	120 Å²	120	126 Å²	126	78%	0.779	75%	0.753	S	S	*	*				-134.6	151.3	119.3	38.2	-30	0	0	0	114.8
836	A	26.4	Very low	30.7	Very low	84 Å²	84	128 Å²	128	69%	0.694	75%	0.753	S	S	*	*			trans	-66.9	167.2	156.2	0	0	0	0	0	109.7
837	D	28.4	Very low	31.6	Very low	146 Å²	146	128 Å²	128	78%	0.781	74%	0.741	S	S	*	*			cis	-163.9	-150.7	35.1	-164.8	24.5	0	0	0	109.8
838	P	34.6	Very low	32.3	Very low	105 Å²	105	130.6 Å²	130.6	68%	0.682	73%	0.734	S	S	*	*				-99	165	-109.5	37.9	-25.8	0	0	0	116
839	T	28.3	Very low	33.3	Very low	135 Å²	135	126.8 Å²	126.8	83%	0.828	71%	0.714	S	S	*	*			trans	-112.5	133.7	167.3	47.8	0	0	0	0	112.3
840	P	32.6	Very low	33.9	Very low	120 Å²	120	126.1 Å²	126.1	78%	0.779	71%	0.706	S	S	*	*			trans	-94.3	122.2	172.3	33	-30	0	0	0	112.4	V842	P840-V842 PolarHBondContact O-N 3.4Å
841	E	38.2	Very low	35.2	Very low	197 Å²	197	122.4 Å²	122.4	92%	0.921	69%	0.685	S	S	*	*			trans	-73.1	84.4	174.5	-67.3	-171.5	131.1	0	0	113.2
842	V	39.2	Very low	36	Very low	139 Å²	139	119.4 Å²	119.4	84%	0.842	68%	0.675	S	S	*	*			trans	-146.6	91.4	162	-166.8	0	0	0	0	112.1	P840	P840-V842 PolarHBondContact O-N 3.4Å
843	S	44	Very low	36.8	Very low	89 Å²	89	123 Å²	123	62%	0.622	68%	0.678	S	S	*	*			trans	-153.7	-32.9	166.2	72.1	0	0	0	0	116.4	F845 M846 W847	S843-F845 PolarHBondContact O-N 3.45Å; S843-M846 PolarHBondContact O-N 3.03Å; S843-W847 PolarHBondContact O-N 2.77Å
844	G	38.2	Very low	37.8	Very low	45 Å²	45	120.8 Å²	120.8	46%	0.464	67%	0.666	S	S	.	*	H	α-helix	trans	-57.4	-38.9	-170.1	0	0	0	0	0	115.6	W847 F848	G844-W847 PolarHBondContact O-N 2.6Å; G844-F848 PolarHBondContact O-N 3.47Å
845	F	37.9	Very low	38.6	Very low	172 Å²	172	120.5 Å²	120.5	75%	0.754	66%	0.655	S	S	*	*	H	α-helix	trans	-71.3	-34.7	-174.7	-161.3	-106.4	0	0	0	113.5	S843 I849	S843-F845 PolarHBondContact O-N 3.45Å; F845-I849 HydrophobicContact CD1-CD1 3.91Å; F845-I849 HydrophobicContact CE1-CD1 3.78Å; F845-I849 WeakPolarHBondContact O-CG1 3.49Å; F845-I849 PolarHBondContact O-N 3.42Å
846	M	36.7	Very low	39.3	Very low	144 Å²	144	123 Å²	123	71%	0.709	65%	0.654	S	S	*	*	H	α-helix	trans	-71.1	-35.9	176.5	-75.7	-74	-99.8	0	0	111.8	S843 I849 L850	S843-M846 PolarHBondContact O-N 3.03Å; M846-I849 PolarHBondContact O-N 3.27Å; M846-L850 PolarHBondContact O-N 3.37Å
847	W	42.6	Very low	39.9	Very low	169 Å²	169	126 Å²	126	64%	0.64	65%	0.652	S	S	*	*	H	α-helix	trans	-64.4	-41.1	175.7	-111.4	92.3	0	0	0	112.4	S843 G844 I849 L850 I851	S843-W847 PolarHBondContact O-N 2.77Å; G844-W847 PolarHBondContact O-N 2.6Å; W847-I849 PolarHBondContact O-N 3.24Å; W847-L850 PolarHBondContact O-N 3.35Å; W847-I851 HydrophobicContact CE3-CD1 3.59Å; W847-I851 HydrophobicContact CE3-CG1 3.86Å; W847-I851 HydrophobicContact CZ3-CD1 3.84Å; W847-I851 HydrophobicContact CZ3-CG1 4.04Å; W847-I851 WeakPolarHBondContact O-CG1 3.22Å; W847-I851 PolarHBondContact O-N 3.13Å
848	F	44.2	Very low	40.6	Very low	151 Å²	151	123 Å²	123	66%	0.662	64%	0.638	S	S	*	*	H	α-helix	trans	-63.4	-38	174.4	-96.5	-84.3	0	0	0	113.2	G844 S852	G844-F848 PolarHBondContact O-N 3.47Å; F848-S852 WeakPolarHBondContact O-CB 3.39Å; F848-S852 PolarHBondContact O-N 3.41Å; F848-S852 VanDerWaalsContact O-N 3.07Å; F848-S852 PolarHBondContact O-OG 3.38Å
849	I	44.1	Very low	41	Very low	87 Å²	87	124.7 Å²	124.7	45%	0.446	64%	0.639	S	S	.	*	H	α-helix	trans	-66.6	-42.7	175.1	-67.6	170.2	0	0	0	110.6	F845 M846 W847 S852 Y853	F845-I849 HydrophobicContact CD1-CD1 3.91Å; F845-I849 HydrophobicContact CE1-CD1 3.78Å; F845-I849 WeakPolarHBondContact O-CG1 3.49Å; F845-I849 PolarHBondContact O-N 3.42Å; M846-I849 PolarHBondContact O-N 3.27Å; W847-I849 PolarHBondContact O-N 3.24Å; I849-S852 PolarHBondContact O-N 2.82Å; I849-Y853 PolarHBondContact O-N 3.3Å
850	L	41.8	Very low	41.6	Very low	106 Å²	106	120.3 Å²	120.3	56%	0.555	62%	0.621	S	S	*	*	H	α-helix	trans	-64.2	-47.9	179.8	-159.3	79.4	0	0	0	112.1	M846 W847 S852 Y853 I854	M846-L850 PolarHBondContact O-N 3.37Å; W847-L850 PolarHBondContact O-N 3.35Å; L850-S852 VanDerWaalsContact C-N 3.32Å; L850-S852 PolarHBondContact O-N 2.81Å; L850-Y853 PolarHBondContact O-N 3.04Å; L850-I854 HydrophobicContact CG-CD1 4.28Å; L850-I854 WeakPolarHBondContact O-CG1 3.43Å; L850-I854 PolarHBondContact O-N 3.41Å
851	I	50.7	Low	42	Very low	73 Å²	73	117.7 Å²	117.7	37%	0.374	60%	0.603	S	S	.	*	H	α-helix	trans	-58.3	-44.9	174.7	-71	172.5	0	0	0	110.7	W847 Y853 I854 L855	W847-I851 HydrophobicContact CE3-CD1 3.59Å; W847-I851 HydrophobicContact CE3-CG1 3.86Å; W847-I851 HydrophobicContact CZ3-CD1 3.84Å; W847-I851 HydrophobicContact CZ3-CG1 4.04Å; W847-I851 WeakPolarHBondContact O-CG1 3.22Å; W847-I851 PolarHBondContact O-N 3.13Å; I851-Y853 VanDerWaalsContact C-N 3.31Å; I851-Y853 PolarHBondContact O-N 2.98Å; I851-I854 PolarHBondContact O-N 2.78Å; I851-L855 HydrophobicContact CG2-CD1 3.74Å; I851-L855 HydrophobicContact CG2-CG 4.32Å; I851-L855 WeakPolarHBondContact O-CG 3.33Å; I851-L855 PolarHBondContact O-N 2.88Å
852	S	42.3	Very low	42.1	Very low	69 Å²	69	111.1 Å²	111.1	48%	0.483	58%	0.582	S	S	.	*	H	α-helix	trans	-62.1	-39.1	-179.7	-59.9	0	0	0	0	112	F848 I849 L850 F856	F848-S852 WeakPolarHBondContact O-CB 3.39Å; F848-S852 PolarHBondContact O-N 3.41Å; F848-S852 VanDerWaalsContact O-N 3.07Å; F848-S852 PolarHBondContact O-OG 3.38Å; I849-S852 PolarHBondContact O-N 2.82Å; L850-S852 VanDerWaalsContact C-N 3.32Å; L850-S852 PolarHBondContact O-N 2.81Å; S852-F856 WeakPolarHBondContact O-CB 3.33Å; S852-F856 PolarHBondContact O-N 2.87Å
853	Y	41.8	Very low	42.1	Very low	179 Å²	179	106.4 Å²	106.4	70%	0.702	56%	0.562	S	S	*	*	H	α-helix	trans	-67.5	-41	177.1	-134.8	-90.1	0	0	0	112.2	I849 L850 I851 F856 F857	I849-Y853 PolarHBondContact O-N 3.3Å; L850-Y853 PolarHBondContact O-N 3.04Å; I851-Y853 VanDerWaalsContact C-N 3.31Å; I851-Y853 PolarHBondContact O-N 2.98Å; Y853-F856 PolarHBondContact O-N 2.61Å; Y853-F857 PolarHBondContact O-N 3.27Å; Y853-F857 VanDerWaalsContact O-N 3.07Å
854	I	46.6	Very low	41.9	Very low	100 Å²	100	106.4 Å²	106.4	51%	0.513	56%	0.558	S	S	.	*	H	α-helix	trans	-64.6	-47	176.7	-67.7	165.1	0	0	0	110.6	L850 I851 F856 F857 V858	L850-I854 HydrophobicContact CG-CD1 4.28Å; L850-I854 WeakPolarHBondContact O-CG1 3.43Å; L850-I854 PolarHBondContact O-N 3.41Å; I851-I854 PolarHBondContact O-N 2.78Å; I854-F856 VanDerWaalsContact C-N 3.33Å; I854-F856 PolarHBondContact O-N 3.39Å; I854-F857 PolarHBondContact O-N 3.36Å; I854-V858 HydrophobicContact CG2-CG2 4.37Å; I854-V858 WeakPolarHBondContact O-CG2 3.35Å; I854-V858 PolarHBondContact O-N 2.96Å
855	L	44.7	Very low	42.1	Very low	100 Å²	100	108.8 Å²	108.8	52%	0.524	56%	0.563	S	S	.	*	H	α-helix	trans	-60.4	-40.5	176.7	-75.9	169.6	0	0	0	112.4	I851 F857 V858 M859	I851-L855 HydrophobicContact CG2-CD1 3.74Å; I851-L855 HydrophobicContact CG2-CG 4.32Å; I851-L855 WeakPolarHBondContact O-CG 3.33Å; I851-L855 PolarHBondContact O-N 2.88Å; L855-F857 VanDerWaalsContact C-N 3.33Å; L855-F857 PolarHBondContact O-N 2.91Å; L855-V858 PolarHBondContact O-N 3.46Å; L855-M859 WeakPolarHBondContact O-CG 3.5Å; L855-M859 PolarHBondContact O-N 3.4Å
856	F	41.9	Very low	42.2	Very low	173 Å²	173	107 Å²	107	76%	0.759	56%	0.555	S	S	*	*	H	α-helix	trans	-64.7	-38.2	176.9	-150.3	-89.8	0	0	0	111.9	S852 Y853 I854 G860	S852-F856 WeakPolarHBondContact O-CB 3.33Å; S852-F856 PolarHBondContact O-N 2.87Å; Y853-F856 PolarHBondContact O-N 2.61Å; I854-F856 VanDerWaalsContact C-N 3.33Å; I854-F856 PolarHBondContact O-N 3.39Å; F856-G860 PolarHBondContact O-N 2.92Å
857	F	39	Very low	42.1	Very low	147 Å²	147	107.1 Å²	107.1	65%	0.645	55%	0.552	S	S	*	*	H	α-helix	trans	-71.5	-39.8	177.9	-151.2	-91.6	0	0	0	112.6	Y853 I854 L855 G860 T861	Y853-F857 PolarHBondContact O-N 3.27Å; Y853-F857 VanDerWaalsContact O-N 3.07Å; I854-F857 PolarHBondContact O-N 3.36Å; L855-F857 VanDerWaalsContact C-N 3.33Å; L855-F857 PolarHBondContact O-N 2.91Å; F857-G860 PolarHBondContact O-N 2.92Å; F857-T861 HydrophobicContact CD1-CG2 4.28Å; F857-T861 HydrophobicContact CE1-CG2 4.24Å; F857-T861 WeakPolarHBondContact O-CG2 3.43Å; F857-T861 PolarHBondContact O-N 2.73Å; F857-T861 PolarHBondContact O-OG1 3.47Å
858	V	44.1	Very low	42	Very low	83 Å²	83	103.1 Å²	103.1	50%	0.503	55%	0.546	S	S	.	.	H	α-helix	trans	-66.6	-41.9	175.6	172.2	0	0	0	0	111.4	I854 L855 T861 A862	I854-V858 HydrophobicContact CG2-CG2 4.37Å; I854-V858 WeakPolarHBondContact O-CG2 3.35Å; I854-V858 PolarHBondContact O-N 2.96Å; L855-V858 PolarHBondContact O-N 3.46Å; V858-T861 PolarHBondContact O-N 3.43Å; V858-T861 PolarHBondContact O-OG1 3.06Å; V858-T861 VanDerWaalsContact O-OG1 3.06Å; V858-A862 WeakPolarHBondContact O-CB 3.24Å; V858-A862 PolarHBondContact O-N 3.1Å
859	M	42.8	Very low	41.8	Very low	141 Å²	141	103.7 Å²	103.7	70%	0.695	55%	0.548	S	S	*	.	H	α-helix	trans	-69.5	-34.2	175.5	-70.1	-143.3	-82.4	0	0	112.9	L855 G863	L855-M859 WeakPolarHBondContact O-CG 3.5Å; L855-M859 PolarHBondContact O-N 3.4Å; M859-G863 PolarHBondContact O-N 3.38Å
860	G	40.1	Very low	41.5	Very low	43 Å²	43	107.4 Å²	107.4	44%	0.443	56%	0.557	S	S	.	*	H	α-helix	trans	-64.1	-40.7	173.6	0	0	0	0	0	113.7	F856 F857 T864	F856-G860 PolarHBondContact O-N 2.92Å; F857-G860 PolarHBondContact O-N 2.92Å; G860-T864 PolarHBondContact O-N 2.98Å; G860-T864 VanDerWaalsContact O-N 3.15Å; G860-T864 PolarHBondContact O-OG1 3.02Å
861	T	41.6	Very low	41.2	Very low	65 Å²	65	109.6 Å²	109.6	40%	0.399	56%	0.562	S	S	.	*	H	α-helix	trans	-74.4	-41.4	177.6	51.7	0	0	0	0	112.3	F857 V858 G863 T864 V865	F857-T861 HydrophobicContact CD1-CG2 4.28Å; F857-T861 HydrophobicContact CE1-CG2 4.24Å; F857-T861 WeakPolarHBondContact O-CG2 3.43Å; F857-T861 PolarHBondContact O-N 2.73Å; F857-T861 PolarHBondContact O-OG1 3.47Å; V858-T861 PolarHBondContact O-N 3.43Å; V858-T861 PolarHBondContact O-OG1 3.06Å; V858-T861 VanDerWaalsContact O-OG1 3.06Å; T861-G863 VanDerWaalsContact C-N 3.34Å; T861-G863 PolarHBondContact O-N 3.03Å; T861-T864 WeakPolarHBondContact CA-OG1 3.42Å; T861-T864 PolarHBondContact O-N 3.39Å; T861-T864 PolarHBondContact O-OG1 3.31Å; T861-T864 VanDerWaalsContact O-OG1 3.07Å; T861-V865 WeakPolarHBondContact O-CG2 3.47Å; T861-V865 PolarHBondContact O-N 3.15Å
862	A	39.4	Very low	40.7	Very low	59 Å²	59	112 Å²	112	49%	0.488	58%	0.575	S	S	.	*	H	α-helix	trans	-60.5	-42.7	172.8	0	0	0	0	0	112.2	V858 V865 F866	V858-A862 WeakPolarHBondContact O-CB 3.24Å; V858-A862 PolarHBondContact O-N 3.1Å; A862-V865 PolarHBondContact O-N 3.45Å; A862-F866 WeakPolarHBondContact O-CB 3.39Å; A862-F866 PolarHBondContact O-N 3.02Å
863	G	40.5	Very low	40.3	Very low	40 Å²	40	117 Å²	117	41%	0.412	59%	0.588	S	S	.	*	H	α-helix	trans	-62.1	-42.9	176.9	0	0	0	0	0	113.3	M859 T861 F866 F867	M859-G863 PolarHBondContact O-N 3.38Å; T861-G863 VanDerWaalsContact C-N 3.34Å; T861-G863 PolarHBondContact O-N 3.03Å; G863-F866 PolarHBondContact O-N 3.36Å; G863-F867 WeakPolarHBondContact O-CB 3.25Å; G863-F867 PolarHBondContact O-N 3.28Å
864	T	38.6	Very low	40	Very low	89 Å²	89	113 Å²	113	55%	0.546	58%	0.582	S	S	.	*	H	α-helix	trans	-69.3	-40.1	176.8	34.8	0	0	0	0	112.6	G860 T861 F867 V868	G860-T864 PolarHBondContact O-N 2.98Å; G860-T864 VanDerWaalsContact O-N 3.15Å; G860-T864 PolarHBondContact O-OG1 3.02Å; T861-T864 WeakPolarHBondContact CA-OG1 3.42Å; T861-T864 PolarHBondContact O-N 3.39Å; T861-T864 PolarHBondContact O-OG1 3.31Å; T861-T864 VanDerWaalsContact O-OG1 3.07Å; T864-F867 PolarHBondContact O-N 3.06Å; T864-V868 WeakPolarHBondContact O-CG2 3.39Å; T864-V868 PolarHBondContact O-N 2.96Å
865	V	42.8	Very low	39.4	Very low	95 Å²	95	111 Å²	111	58%	0.576	59%	0.587	S	S	*	*	H	α-helix	trans	-62.1	-44	173.8	171.3	0	0	0	0	111.2	T861 A862 F867 V868 K869	T861-V865 WeakPolarHBondContact O-CG2 3.47Å; T861-V865 PolarHBondContact O-N 3.15Å; A862-V865 PolarHBondContact O-N 3.45Å; V865-F867 PolarHBondContact O-N 3.29Å; V865-V868 PolarHBondContact O-N 3.12Å; V865-K869 VanDerWaalsContact O-CB 3.28Å; V865-K869 WeakPolarHBondContact O-CB 3.43Å; V865-K869 PolarHBondContact O-N 3.05Å
866	F	39.5	Very low	38.9	Very low	134 Å²	134	114.5 Å²	114.5	59%	0.588	60%	0.601	S	S	*	*	H	α-helix	trans	-62.8	-42	176.2	-173.4	-100.2	0	0	0	112.2	A862 G863 K869 R870	A862-F866 WeakPolarHBondContact O-CB 3.39Å; A862-F866 PolarHBondContact O-N 3.02Å; G863-F866 PolarHBondContact O-N 3.36Å; F866-K869 PolarHBondContact O-N 3.26Å; F866-R870 WeakPolarHBondContact O-CB 3.44Å; F866-R870 PolarHBondContact O-N 3.32Å
867	F	34.8	Very low	38.4	Very low	146 Å²	146	113.6 Å²	113.6	64%	0.64	60%	0.603	S	S	*	*	H	α-helix	trans	-65.4	-45.2	178.8	-151	-90.1	0	0	0	112	G863 T864 V865 R870 F871	G863-F867 WeakPolarHBondContact O-CB 3.25Å; G863-F867 PolarHBondContact O-N 3.28Å; T864-F867 PolarHBondContact O-N 3.06Å; V865-F867 PolarHBondContact O-N 3.29Å; F867-R870 PolarHBondContact O-N 3.02Å; F867-F871 HydrophobicContact CE1-CD2 4.4Å; F867-F871 WeakPolarHBondContact O-CB 3.44Å; F867-F871 PolarHBondContact O-N 2.89Å
868	V	41.2	Very low	38	Very low	86 Å²	86	112.4 Å²	112.4	52%	0.521	61%	0.608	S	S	.	*	H	α-helix	trans	-62.9	-44.7	176	170.8	0	0	0	0	111.2	T864 V865 R870 F871 L872	T864-V868 WeakPolarHBondContact O-CG2 3.39Å; T864-V868 PolarHBondContact O-N 2.96Å; V865-V868 PolarHBondContact O-N 3.12Å; V868-R870 VanDerWaalsContact C-N 3.3Å; V868-R870 PolarHBondContact O-N 3.21Å; V868-F871 PolarHBondContact O-N 2.86Å; V868-L872 HydrophobicContact CG1-CD1 3.87Å; V868-L872 HydrophobicContact CG1-CG 4.41Å; V868-L872 WeakPolarHBondContact O-CG 3.41Å; V868-L872 PolarHBondContact O-N 3.22Å
869	K	39.2	Very low	37.5	Very low	162 Å²	162	117.9 Å²	117.9	70%	0.704	63%	0.625	S	S	*	*	H	α-helix	trans	-64.6	-33.5	178.9	-154.2	171.1	-169.9	175.9	0	112	V865 F866 K873	V865-K869 VanDerWaalsContact O-CB 3.28Å; V865-K869 WeakPolarHBondContact O-CB 3.43Å; V865-K869 PolarHBondContact O-N 3.05Å; F866-K869 PolarHBondContact O-N 3.26Å; K869-K873 WeakPolarHBondContact O-CB 3.29Å; K869-K873 PolarHBondContact O-N 2.98Å
870	R	37.8	Very low	36.9	Very low	166 Å²	166	117 Å²	117	63%	0.626	63%	0.63	S	S	*	*	H	α-helix	trans	-71.7	-43.9	173.1	-168	170.9	-175.9	151.7	-0.5	112.2	F866 F867 V868 K873 T874	F866-R870 WeakPolarHBondContact O-CB 3.44Å; F866-R870 PolarHBondContact O-N 3.32Å; F867-R870 PolarHBondContact O-N 3.02Å; V868-R870 VanDerWaalsContact C-N 3.3Å; V868-R870 PolarHBondContact O-N 3.21Å; R870-K873 PolarHBondContact O-N 2.91Å; R870-T874 PolarHBondContact O-N 3.49Å; R870-T874 PolarHBondContact O-OG1 2.97Å
871	F	36.7	Very low	36.4	Very low	152 Å²	152	125 Å²	125	67%	0.667	65%	0.652	S	S	*	*	H	α-helix	trans	-64.4	-42	-179.1	-150.5	-91.3	0	0	0	112.3	F867 V868 K873 T874 G875	F867-F871 HydrophobicContact CE1-CD2 4.4Å; F867-F871 WeakPolarHBondContact O-CB 3.44Å; F867-F871 PolarHBondContact O-N 2.89Å; V868-F871 PolarHBondContact O-N 2.86Å; F871-K873 VanDerWaalsContact C-N 3.34Å; F871-K873 PolarHBondContact O-N 2.83Å; F871-T874 PolarHBondContact O-N 2.78Å; F871-T874 PolarHBondContact O-OG1 3.2Å; F871-G875 PolarHBondContact O-N 3.02Å
872	L	38.9	Very low	36	Very low	124 Å²	124	128 Å²	128	65%	0.649	67%	0.671	S	S	*	*	H	α-helix	trans	-63.8	-36.7	174.5	-70.2	170.8	0	0	0	112.3	V868 G875	V868-L872 HydrophobicContact CG1-CD1 3.87Å; V868-L872 HydrophobicContact CG1-CG 4.41Å; V868-L872 WeakPolarHBondContact O-CG 3.41Å; V868-L872 PolarHBondContact O-N 3.22Å; L872-G875 PolarHBondContact O-N 3.48Å
873	K	34.3	Very low	35.5	Very low	172 Å²	172	131.1 Å²	131.1	75%	0.748	69%	0.686	S	S	*	*	H	α-helix	trans	-71.9	-27.3	179.7	-160.8	170.6	-174.2	178.1	0	113.2	K869 R870 F871	K869-K873 WeakPolarHBondContact O-CB 3.29Å; K869-K873 PolarHBondContact O-N 2.98Å; R870-K873 PolarHBondContact O-N 2.91Å; F871-K873 VanDerWaalsContact C-N 3.34Å; F871-K873 PolarHBondContact O-N 2.83Å
874	T	35.7	Very low	34.9	Very low	95 Å²	95	139.4 Å²	139.4	58%	0.583	71%	0.711	S	S	*	*	H	α-helix	trans	-80	-20.4	173.1	39.6	0	0	0	0	114.1	R870 F871 Q876	R870-T874 PolarHBondContact O-N 3.49Å; R870-T874 PolarHBondContact O-OG1 2.97Å; F871-T874 PolarHBondContact O-N 2.78Å; F871-T874 PolarHBondContact O-OG1 3.2Å; T874-Q876 PolarHBondContact O-N 2.74Å
875	G	33.1	Very low	34.4	Very low	59 Å²	59	144 Å²	144	61%	0.608	72%	0.723	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.1	-18.9	-176.1	0	0	0	0	0	116	F871 L872	F871-G875 PolarHBondContact O-N 3.02Å; L872-G875 PolarHBondContact O-N 3.48Å
876	Q	34.2	Very low	33.9	Very low	174 Å²	174	149.1 Å²	149.1	81%	0.813	74%	0.738	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.8	-5.6	-172.2	-74	-173.8	-27.9	0	0	115.6	T874	T874-Q876 PolarHBondContact O-N 2.74Å
877	N	32.4	Very low	33.5	Very low	153 Å²	153	149.5 Å²	149.5	82%	0.818	74%	0.744	S	S	*	*			trans	-116.1	41.7	-172.8	-86.6	-38.5	0	0	0	114.6
878	V	31.2	Very low	33.2	Very low	122 Å²	122	150.2 Å²	150.2	74%	0.739	76%	0.755	S	S	*	*			trans	-122.2	92.8	170.9	-173.6	0	0	0	0	110.5
879	K	33.5	Very low	32.6	Very low	199 Å²	199	149.4 Å²	149.4	87%	0.865	76%	0.764	S	S	*	*			trans	-69.5	129.7	163.8	-81	-176.4	175.7	177.7	0	109.2	K881	K879-K881 PolarHBondContact O-N 2.87Å
880	P	29.4	Very low	32	Very low	121 Å²	121	149.5 Å²	149.5	79%	0.786	77%	0.772	S	S	*	*			trans	-68.8	126.6	176.9	27.4	-33.2	0	0	0	110.8	T882	P880-T882 PolarHBondContact O-N 3.01Å
881	K	30.9	Very low	31.6	Very low	211 Å²	211	146.9 Å²	146.9	92%	0.917	78%	0.78	S	S	*	*			trans	-76.8	114.5	168.1	-79.6	-178.6	176.5	174.1	0	109.4	K879	K879-K881 PolarHBondContact O-N 2.87Å
882	T	32.4	Very low	31.2	Very low	128 Å²	128	144.8 Å²	144.8	79%	0.785	78%	0.784	S	S	*	*			trans	-70.4	144	167.6	31.3	0	0	0	0	111.4	P880	P880-T882 PolarHBondContact O-N 3.01Å
883	P	28.3	Very low	30.8	Very low	125 Å²	125	143.1 Å²	143.1	81%	0.812	79%	0.788	S	S	*	*			trans	-76.5	132.2	-179.5	29.9	-33.6	0	0	0	111.7	K885	P883-K885 PolarHBondContact O-N 3.42Å
884	K	28.1	Very low	30.6	Very low	215 Å²	215	143.1 Å²	143.1	94%	0.935	79%	0.788	S	S	*	*			trans	-70.1	115.6	174.7	-76.4	-174.9	174.3	-177.2	0	110.9
885	K	29.2	Very low	30.3	Very low	185 Å²	185	144.4 Å²	144.4	80%	0.804	79%	0.791	S	S	*	*			trans	-83.2	117	168	-159.4	175.5	-173.7	-179.4	0	109	P883	P883-K885 PolarHBondContact O-N 3.42Å
886	K	31.6	Very low	30.1	Very low	202 Å²	202	148.3 Å²	148.3	88%	0.878	80%	0.798	S	S	*	*			trans	-73.4	122.4	169.6	-89.3	-175.9	172.3	-178.5	0	109.4
887	I	31.8	Very low	29.8	Very low	143 Å²	143	144.9 Å²	144.9	73%	0.733	79%	0.789	S	S	*	*			trans	-138.5	137.5	158.1	-61.3	-175.2	0	0	0	107.5
888	N	27.8	Very low	29.6	Very low	160 Å²	160	143.1 Å²	143.1	86%	0.856	78%	0.784	S	S	*	*			trans	-86.2	158.5	179.7	-65.4	-24.4	0	0	0	111.7
889	G	28	Very low	29.4	Very low	70 Å²	70	141.2 Å²	141.2	72%	0.722	78%	0.776	S	S	*	*			trans	132.8	109.9	147.3	0	0	0	0	0	117.3
890	N	27.1	Very low	29.2	Very low	164 Å²	164	139.8 Å²	139.8	88%	0.877	77%	0.772	S	S	*	*			trans	15.3	134	147.5	-57.7	-5	0	0	0	118.9
891	S	28.4	Very low	29.1	Very low	111 Å²	111	142 Å²	142	78%	0.776	77%	0.771	S	S	*	*				178.7	169.9	61.9	54	0	0	0	0	112.7
892	S	28.6	Very low	28.9	Very low	108 Å²	108	138.9 Å²	138.9	76%	0.755	77%	0.765	S	S	*	*			trans	43.8	100.6	151.3	-163.3	0	0	0	0	118.6
893	A	30.9	Very low	28.7	Very low	89 Å²	89	137.9 Å²	137.9	74%	0.736	76%	0.763	S	S	*	*				80.6	142.4	69.5	0	0	0	0	0	116
894	K	30	Very low	28.7	Very low	172 Å²	172	139.3 Å²	139.3	75%	0.748	76%	0.764	S	S	*	*			trans	88.1	124	164.6	-76.7	-179.8	149.5	-87.7	0	120.7
895	D	28.8	Very low	29.7	Very low	121 Å²	121	134 Å²	134	65%	0.647	75%	0.752	S	S	*	*				62.5	148.8	127.2	-48.8	-7	0	0	0	119.5
896	D	28.5	Very low	29.7	Very low	142 Å²	142	132 Å²	132	76%	0.759	75%	0.749	S	S	*	*			cis	-167.9	170.9	-30.3	-153.9	-2.7	0	0	0	108.5
897	V	29.6	Very low	29.5	Very low	102 Å²	102	133.5 Å²	133.5	62%	0.618	75%	0.749	S	S	*	*			trans	60.5	105.2	144.7	163.9	0	0	0	0	122.4
898	T	28.6	Very low	29.4	Very low	115 Å²	115	131.8 Å²	131.8	71%	0.706	75%	0.749	S	S	*	*				63.1	134	128.9	73.7	0	0	0	0	126.9
899	S	26.2	Very low	29.7	Very low	83 Å²	83	128.4 Å²	128.4	58%	0.58	74%	0.744	S	S	*	*				57.7	119.6	126.9	73	0	0	0	0	123.7
900	H	28.1	Very low	30	Very low	168 Å²	168	136.8 Å²	136.8	78%	0.778	75%	0.754	S	S	*	*				171.1	133.9	98.4	-88.3	-45.6	0	0	0	108.1
901	H	28.6	Very low	30.5	Very low	168 Å²	168	137.9 Å²	137.9	78%	0.778	77%	0.774	S	S	*	*				77.4	146.5	70.1	-136	46.8	0	0	0	113.9
902	N	27.1	Very low	30.6	Very low	146 Å²	146	139.3 Å²	139.3	78%	0.781	77%	0.774	S	S	*	*			trans	74.5	144.8	-170.4	-53.8	-17.3	0	0	0	115.9
903	S	27	Very low	30.7	Very low	107 Å²	107	140.9 Å²	140.9	75%	0.748	78%	0.775	S	S	*	*			cis	-171.8	137.4	-22.6	48.5	0	0	0	0	109.2
904	D	29.3	Very low	30.7	Very low	154 Å²	154	143.8 Å²	143.8	82%	0.824	78%	0.778	S	S	*	*			trans	-57.6	169.4	154.9	-99	-41	0	0	0	111.2
905	P	49	Very low	30.7	Very low	105 Å²	105	142.1 Å²	142.1	68%	0.682	78%	0.779	S	S	*	*			cis	-144.5	-169.8	17.2	35.9	-12.5	0	0	0	117
906	L	27.9	Very low	30.8	Very low	143 Å²	143	143.4 Å²	143.4	75%	0.749	79%	0.788	S	S	*	*			trans	107.4	129.7	139.3	-81.9	166.6	0	0	0	121.8
907	R	27.7	Very low	31	Very low	233 Å²	233	143.5 Å²	143.5	88%	0.879	79%	0.789	S	S	*	*			trans	69.3	153.3	155.5	-71.8	-177.4	169.6	179.2	-3	117.9
908	S	29.8	Very low	31.1	Very low	106 Å²	106	146.5 Å²	146.5	74%	0.741	80%	0.802	S	S	*	*			cis	170.9	162	-19.3	-177.6	0	0	0	0	106.9
909	A	35.1	Very low	31.3	Very low	89 Å²	89	148.9 Å²	148.9	74%	0.736	81%	0.809	S	S	*	*			trans	81.4	104.8	160.2	0	0	0	0	0	119.2
910	R	34.6	Very low	31.7	Very low	246 Å²	246	154.4 Å²	154.4	93%	0.928	83%	0.828	S	S	*	*			trans	-12.4	139.1	140.8	-62.6	171.3	174.5	167.2	-4.2	117.2
911	S	36	Very low	32	Very low	188 Å²	188	153.2 Å²	153.2	100%	1.315	83%	0.833	S	S	*	*				-117.8	0	113.7	64.9	0	0	0	0	108.1

Retrieved 911 of 911 residues in 212.8 ms (Link to these results)

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