X2JFT2_DROME Loading...

Gone early, isoform B

AlphaFold DB , UniProt , Accession X2JFT2, Species DROME (Drosophila melanogaster, Fruit fly), Gene goe, Length 874 aa.

						>X2JFT2_DROME|X2JFT2|goe
MAINQGKYKPSICAIDEVDDRSFKLHNSQDEIGGKQQLQQIEGSETAPLTTNQQKLHMDDGSHLTPKDLEAARQDALNEVAAGGAGGRTPAAITPNSTHPSANGLRGRRSFDALMSLSRKRRILYVTTACLCALLLLIIILLLAFWPEVPFYLRAPLCLDKECVESSRQLLLWANTSKSPCHETYEWACGNFASDYANHEYFVIKRGEWNYETYNEYQELNELNRFIAMLPNSQEGSVESTVSSLYRSCRETDVLDKSQSDLLLKRAINAVYGWQAFRDSNRLQSWEYKRVLVVLQAKHGIFPYYRVTVENGFSNPHDYVITLDEGELGLPDKYFYGNDADEEVVRGYKLLLRDFAINMGIVSREADLFADDIFHYERRIVNHIEDAKADANRPINKLMRLADLKIKAPSLPILESLQAIFPKTKITEDTEVLVRDPEVMHALSVLLSTSDKKPINNFIVWSLARKMLPHLSKEYRTLAETFDHALYGRTASYPRWLICSKVVRDWLPFAVDALQQQPPRQQFETMTSKSRGLNKTQGNEELLKLMFFSLRNQLKDSLEQAKWLEPAARQFIQKKLNEMRLQFGIPDEVLQQPTYLAQYYNELILNNVFFVEHLEWIWTFRRSQMEKKLGPLAILDVIVSEMYTRDNPQAIAYSNKLNMLLVSKVLISSNYYDYRYPVAVNFARIGTDILEALIDNFSTFLLQFNTQSTDISDAAPEIRYAQPDVNCLAAGQPPRLVHELNELSSNALKSFHVTLSAARTAARALSNFVNAIDAGSAIQGSGIDQANTYEALGLTRRLRIPGLRSFNENELFTLSYMQQHCSTTIADKDYARIKPLVESQLAESYLFNATWQHIQFLPRSTNCAAAEATCSNLL
					

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	30.2	Very low	26.2	Very low	249 Å²	249	158.6 Å²	158.6	100%	1.227	85%	0.848	S	S	*	*				0	114.6	0	-83.9	169.9	168.5	0	0	107.2
2	A	28	Very low	26.7	Very low	93 Å²	93	158.8 Å²	158.8	77%	0.769	85%	0.846	S	S	*	*			trans	-74.9	152.6	179.8	0	0	0	0	0	110.9
3	I	26.5	Very low	26.4	Very low	162 Å²	162	155 Å²	155	83%	0.831	84%	0.838	S	S	*	*			trans	-168.7	112.8	138.5	-88.8	143.7	0	0	0	109.5
4	N	26.8	Very low	26.4	Very low	155 Å²	155	150.4 Å²	150.4	83%	0.829	83%	0.831	S	S	*	*			trans	38.6	101.1	147.9	-62.4	-13.8	0	0	0	121.9
5	Q	28.7	Very low	26.4	Very low	186 Å²	186	151 Å²	151	87%	0.869	83%	0.83	S	S	*	*			trans	-98.1	112.3	147.5	-73.4	-176.9	-15.7	0	0	109.2	K7	Q5-K7 PolarHBondContact O-N 3.44Å
6	G	24.1	Very low	26.4	Very low	77 Å²	77	151.1 Å²	151.1	79%	0.794	83%	0.829	S	S	*	*			trans	-77	110.1	168.1	0	0	0	0	0	110	Y8	G6-Y8 PolarHBondContact O-N 3.12Å
7	K	26.8	Very low	26.7	Very low	184 Å²	184	152.2 Å²	152.2	80%	0.8	83%	0.827	S	S	*	*			trans	-80	105.5	169.2	-75.6	176.8	176.9	173.7	0	109	Q5	Q5-K7 PolarHBondContact O-N 3.44Å
8	Y	23.7	Very low	26.7	Very low	232 Å²	232	151.3 Å²	151.3	91%	0.91	83%	0.827	S	S	*	*			trans	-86.6	104.6	155.4	-101.1	-93.7	0	0	0	107.9	G6	G6-Y8 PolarHBondContact O-N 3.12Å
9	K	23.4	Very low	26.7	Very low	185 Å²	185	150.1 Å²	150.1	80%	0.804	82%	0.82	S	S	*	*			trans	-103.4	114.6	158.8	-87.1	-173.9	172	-171.5	0	106.3	S11	K9-S11 PolarHBondContact O-N 3.32Å
10	P	26.2	Very low	26.8	Very low	117 Å²	117	150.6 Å²	150.6	76%	0.76	82%	0.822	S	S	*	*			trans	-72	111.9	161.9	26.8	-26.3	0	0	0	107.6	I12	P10-I12 PolarHBondContact O-N 2.82Å
11	S	23.9	Very low	27	Very low	105 Å²	105	152.2 Å²	152.2	73%	0.734	82%	0.816	S	S	*	*			trans	-74.7	109.6	163.8	54.6	0	0	0	0	107.8	K9 C13	K9-S11 PolarHBondContact O-N 3.32Å; S11-C13 PolarHBondContact O-N 3.46Å
12	I	31.8	Very low	26.9	Very low	161 Å²	161	145.2 Å²	145.2	83%	0.826	79%	0.791	S	S	*	*			trans	-73.2	109.8	166	-63.2	167.8	0	0	0	106.2	P10 A14	P10-I12 PolarHBondContact O-N 2.82Å; I12-A14 PolarHBondContact O-N 2.8Å
13	C	23.9	Very low	26.7	Very low	109 Å²	109	150 Å²	150	74%	0.736	80%	0.795	S	S	*	*			trans	-71.4	119.4	162.2	-73.6	0	0	0	0	107.2	S11 I15	S11-C13 PolarHBondContact O-N 3.46Å; C13-I15 PolarHBondContact O-N 2.93Å
14	A	25.4	Very low	26.9	Very low	90 Å²	90	152 Å²	152	74%	0.744	80%	0.798	S	S	*	*			trans	-59.4	124.3	165.6	0	0	0	0	0	108.2	I12	I12-A14 PolarHBondContact O-N 2.8Å
15	I	26.2	Very low	27	Very low	160 Å²	160	151.9 Å²	151.9	82%	0.821	80%	0.796	S	S	*	*			trans	-86	115	162.1	-66.7	172.3	0	0	0	104.6	C13 E17	C13-I15 PolarHBondContact O-N 2.93Å; I15-E17 PolarHBondContact O-N 3.49Å
16	D	26.8	Very low	26.9	Very low	153 Å²	153	151.7 Å²	151.7	82%	0.818	80%	0.795	S	S	*	*	P	Polyproline II helix	trans	-58.1	116.8	172	-80.8	-34.5	0	0	0	109
17	E	31.4	Very low	27.1	Very low	169 Å²	169	155.8 Å²	155.8	79%	0.79	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-69.3	128.7	169.5	-76.4	-177.3	145	0	0	108.9	I15 D19	I15-E17 PolarHBondContact O-N 3.49Å; E17-D19 PolarHBondContact O-N 2.95Å
18	V	26.8	Very low	27.1	Very low	137 Å²	137	152.6 Å²	152.6	83%	0.83	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-67.3	118.3	176.4	176	0	0	0	0	109.2	D20	V18-D20 PolarHBondContact O-N 2.78Å
19	D	27	Very low	27.4	Very low	128 Å²	128	149.9 Å²	149.9	68%	0.684	80%	0.795	S	S	*	*			trans	-78.9	101.4	-179.5	-161	9.9	0	0	0	110.1	E17 R21	E17-D19 PolarHBondContact O-N 2.95Å; D19-R21 PolarHBondContact O-N 3.33Å
20	D	29.6	Very low	27.6	Very low	160 Å²	160	148.1 Å²	148.1	86%	0.856	79%	0.794	S	S	*	*			trans	-88.1	84.4	172.2	-102.7	-16.1	0	0	0	109.9	V18	V18-D20 PolarHBondContact O-N 2.78Å
21	R	29.5	Very low	27.7	Very low	185 Å²	185	150.6 Å²	150.6	70%	0.698	80%	0.796	S	S	*	*			trans	-110.9	105.4	167.9	-80.2	-173.5	176.7	-169.3	2.2	112.3	D19	D19-R21 PolarHBondContact O-N 3.33Å
22	S	28.5	Very low	28	Very low	102 Å²	102	152.7 Å²	152.7	71%	0.713	80%	0.797	S	S	*	*			trans	61.4	119.6	137.3	59.7	0	0	0	0	120.5
23	F	24.9	Very low	27.7	Very low	194 Å²	194	148.9 Å²	148.9	85%	0.851	80%	0.798	S	S	*	*			trans	-127.2	104.1	141.7	-102.2	-88.2	0	0	0	110.4	L25	F23-L25 HydrophobicContact CD1-CD1 4.16Å; F23-L25 HydrophobicContact CD1-CG 4.32Å
24	K	29.7	Very low	27.8	Very low	204 Å²	204	147.6 Å²	147.6	89%	0.887	80%	0.803	S	S	*	*			trans	-91.1	121.6	154.5	-85.7	-177.1	175.3	178.2	0	106.8
25	L	28.3	Very low	27.9	Very low	151 Å²	151	153.1 Å²	153.1	79%	0.791	81%	0.81	S	S	*	*			trans	-107.2	118	170.3	-97.7	153.1	0	0	0	109.8	F23	F23-L25 HydrophobicContact CD1-CD1 4.16Å; F23-L25 HydrophobicContact CD1-CG 4.32Å
26	H	27.9	Very low	27.9	Very low	183 Å²	183	153.9 Å²	153.9	85%	0.847	81%	0.811	S	S	*	*			trans	-68.5	137.6	165.2	-100.2	-82	0	0	0	110.1
27	N	28.5	Very low	27.9	Very low	162 Å²	162	155.2 Å²	155.2	87%	0.866	81%	0.812	S	S	*	*			trans	-72.4	127.4	164.3	-84.7	-22.2	0	0	0	110.6
28	S	26.6	Very low	27.6	Very low	117 Å²	117	155.3 Å²	155.3	82%	0.818	82%	0.817	S	S	*	*			trans	-165.4	139.9	142.5	48.7	0	0	0	0	110.9
29	Q	28.4	Very low	27.6	Very low	176 Å²	176	157.9 Å²	157.9	82%	0.822	82%	0.82	S	S	*	*			trans	-60.3	144.6	-177.3	-63.5	150.8	-54	0	0	113
30	D	28.4	Very low	27.4	Very low	147 Å²	147	160.5 Å²	160.5	79%	0.786	83%	0.828	S	S	*	*				168	124.8	114.1	-85.2	-22	0	0	0	112.8
31	E	28.6	Very low	27.2	Very low	169 Å²	169	160.9 Å²	160.9	79%	0.79	83%	0.828	S	S	*	*			trans	50.1	131	136.8	-86.9	-170.6	178.6	0	0	125.5
32	I	30	Very low	26.9	Very low	149 Å²	149	161.2 Å²	161.2	76%	0.764	84%	0.838	S	S	*	*			trans	89.6	98.8	143.5	-57.1	155	0	0	0	119.2
33	G	25.2	Very low	26.7	Very low	82 Å²	82	160.1 Å²	160.1	85%	0.845	84%	0.842	S	S	*	*				63.2	109.4	116.8	0	0	0	0	0	120.5
34	G	26.1	Very low	26.6	Very low	82 Å²	82	156.2 Å²	156.2	85%	0.845	84%	0.839	S	S	*	*			trans	-179.4	115.2	160.7	0	0	0	0	0	114
35	K	27.1	Very low	26.4	Very low	205 Å²	205	155.4 Å²	155.4	89%	0.891	84%	0.839	S	S	*	*			trans	-67.3	141.6	173.1	-71.4	171.3	171.9	175.8	0	111.6
36	Q	26.9	Very low	26.4	Very low	177 Å²	177	155.3 Å²	155.3	83%	0.827	84%	0.844	S	S	*	*			trans	-172.4	112.6	139.5	-105.2	161.9	8.5	0	0	109.6
37	Q	26.5	Very low	26.3	Very low	180 Å²	180	151 Å²	151	84%	0.841	84%	0.841	S	S	*	*				77.1	105.4	105.3	-91.5	-179.8	-19.2	0	0	114.4
38	L	26.1	Very low	26.4	Very low	172 Å²	172	148.6 Å²	148.6	90%	0.901	83%	0.834	S	S	*	*			trans	-60.5	128.7	164.2	-83.6	131.3	0	0	0	110.7
39	Q	25.1	Very low	26.4	Very low	191 Å²	191	151.6 Å²	151.6	89%	0.893	84%	0.84	S	S	*	*			trans	-142.4	121	150	-135.4	168.3	9.9	0	0	109.1
40	Q	23.1	Very low	26.3	Very low	182 Å²	182	149.3 Å²	149.3	85%	0.85	84%	0.838	S	S	*	*			trans	-69.1	139.7	175.7	-70.2	167.6	-53.1	0	0	110.2
41	I	25	Very low	26.3	Very low	169 Å²	169	148.4 Å²	148.4	87%	0.867	84%	0.838	S	S	*	*			trans	-132.8	123	156.8	-63	-179.3	0	0	0	107.6
42	E	25	Very low	26.2	Very low	191 Å²	191	148.3 Å²	148.3	89%	0.893	84%	0.843	S	S	*	*			trans	-72.3	154	169.7	-69.8	169.8	132.8	0	0	111.8
43	G	22.6	Very low	26.1	Very low	79 Å²	79	149.9 Å²	149.9	81%	0.814	85%	0.847	S	S	*	*			trans	110.5	118.3	139	0	0	0	0	0	117.5
44	S	24.4	Very low	26.1	Very low	112 Å²	112	155.8 Å²	155.8	78%	0.783	85%	0.853	S	S	*	*			trans	145.6	71	151	177	0	0	0	0	108.5
45	E	25.7	Very low	26.1	Very low	188 Å²	188	160.9 Å²	160.9	88%	0.879	85%	0.852	S	S	*	*				39.2	103.7	85	-74.8	-167.2	166.7	0	0	114.6
46	T	27	Very low	26	Very low	148 Å²	148	159.5 Å²	159.5	91%	0.908	85%	0.853	S	S	*	*			trans	-71.6	139.7	163.2	40.6	0	0	0	0	110.1
47	A	25.1	Very low	25.9	Very low	93 Å²	93	158.8 Å²	158.8	77%	0.769	85%	0.849	S	S	*	*			trans	-144.3	165.1	174.7	0	0	0	0	0	109.7
48	P	31.6	Very low	25.8	Very low	112 Å²	112	158.9 Å²	158.9	73%	0.727	85%	0.852	S	S	*	*				-132.3	166.7	-91	25	-2.7	0	0	0	113.8	T50	P48-T50 PolarHBondContact O-N 3.31Å
49	L	26.7	Very low	25.8	Very low	180 Å²	180	158 Å²	158	94%	0.942	85%	0.848	S	S	*	*			trans	-62.5	124.7	163.1	-78.2	145.6	0	0	0	110.2
50	T	27.2	Very low	25.9	Very low	127 Å²	127	157 Å²	157	78%	0.779	85%	0.849	S	S	*	*			trans	-94.9	115.4	174.8	47.8	0	0	0	0	110.8	P48	P48-T50 PolarHBondContact O-N 3.31Å
51	T	28.2	Very low	26	Very low	128 Å²	128	151.5 Å²	151.5	79%	0.785	84%	0.841	S	S	*	*			trans	-110.9	116	157	42.1	0	0	0	0	107.7	Q53	T51-Q53 PolarHBondContact O-N 3.48Å
52	N	26.3	Very low	26.1	Very low	168 Å²	168	149.1 Å²	149.1	90%	0.898	84%	0.839	S	S	*	*			trans	-78.4	103.7	170.6	-82.8	-33.5	0	0	0	109.5
53	Q	27.1	Very low	26.5	Very low	181 Å²	181	149.1 Å²	149.1	85%	0.846	84%	0.839	S	S	*	*			trans	-109.6	119.6	156.8	-78.2	-170.9	-24	0	0	108.4	T51 K55	T51-Q53 PolarHBondContact O-N 3.48Å; Q53-K55 PolarHBondContact O-N 2.85Å
54	Q	26.1	Very low	26.8	Very low	207 Å²	207	152.1 Å²	152.1	97%	0.967	84%	0.836	S	S	*	*			trans	-69.5	115.9	162.9	-83	176.3	-26.2	0	0	108.7
55	K	25.8	Very low	27.8	Very low	189 Å²	189	151.2 Å²	151.2	82%	0.822	83%	0.825	S	S	*	*	P	Polyproline II helix	trans	-87.3	118.8	172	-125.6	177.6	-177.2	-179.1	0	108.7	Q53	Q53-K55 PolarHBondContact O-N 2.85Å
56	L	24.8	Very low	28.3	Very low	176 Å²	176	147.8 Å²	147.8	92%	0.921	82%	0.819	S	S	*	*	P	Polyproline II helix	trans	-90.5	122.5	152	-89.8	157	0	0	0	107.1
57	H	24.9	Very low	28.8	Very low	161 Å²	161	149 Å²	149	75%	0.745	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-67.4	139.5	174.3	-94.6	-96.1	0	0	0	111.4
58	M	23.6	Very low	29.5	Very low	183 Å²	183	148.5 Å²	148.5	90%	0.901	80%	0.796	S	S	*	*			trans	-158.3	148.3	134.7	-93.3	-160.5	77.2	0	0	110.3
59	D	26.4	Very low	29.8	Very low	152 Å²	152	150.1 Å²	150.1	81%	0.813	80%	0.798	S	S	*	*			trans	-65.5	160.7	-158.4	-71.7	-46.6	0	0	0	119.2
60	D	27.5	Very low	30.5	Very low	171 Å²	171	148.3 Å²	148.3	91%	0.914	79%	0.785	S	S	*	*			trans	-57.4	143.5	173.3	-81.2	-44.8	0	0	0	115.1
61	G	25.1	Very low	31	Very low	66 Å²	66	145.4 Å²	145.4	68%	0.68	77%	0.774	S	S	*	*			trans	-178.4	97.2	166.6	0	0	0	0	0	114.6
62	S	28	Very low	31.3	Very low	119 Å²	119	142.7 Å²	142.7	83%	0.832	77%	0.765	S	S	*	*			trans	77.8	111	155.6	68.6	0	0	0	0	120.3
63	H	32	Very low	31.8	Very low	192 Å²	192	144.2 Å²	144.2	89%	0.889	76%	0.758	S	S	*	*			trans	-58.7	134.2	161	-73.8	-90.6	0	0	0	112.7
64	L	30.1	Very low	32.3	Very low	142 Å²	142	142.5 Å²	142.5	74%	0.743	75%	0.749	S	S	*	*			trans	-132.3	138.4	156.3	-81.9	156.7	0	0	0	109.4	D68	L64-D68 HydrophobicContact CD2-CB 4.26Å; L64-D68 WeakPolarHBondContact CD2-OD2 3.44Å
65	T	44.1	Very low	32.8	Very low	92 Å²	92	139.2 Å²	139.2	56%	0.564	74%	0.739	S	S	*	*			trans	-92.1	163	-170.7	60.4	0	0	0	0	112	K67 D68	T65-K67 PolarHBondContact O-N 3.43Å; T65-D68 PolarHBondContact O-N 3.3Å
66	P	37.1	Very low	33.2	Very low	116 Å²	116	134.4 Å²	134.4	75%	0.753	73%	0.734	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.1	-9	-171.8	-25.1	34.8	0	0	0	116.6
67	K	37.8	Very low	33.7	Very low	174 Å²	174	133 Å²	133	76%	0.757	73%	0.727	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.9	-15.9	175.2	-81.6	-174.5	171.2	-178.7	0	114.1	T65	T65-K67 PolarHBondContact O-N 3.43Å
68	D	39	Very low	34.1	Very low	83 Å²	83	131.8 Å²	131.8	44%	0.444	73%	0.726	S	S	.	*	S	Bend	trans	-88.1	-17.7	178.3	-58.3	-48.2	0	0	0	112.3	L64 T65 E70	L64-D68 HydrophobicContact CD2-CB 4.26Å; L64-D68 WeakPolarHBondContact CD2-OD2 3.44Å; T65-D68 PolarHBondContact O-N 3.3Å; D68-E70 VanDerWaalsContact C-N 3.35Å
69	L	39.1	Very low	34.6	Very low	145 Å²	145	132 Å²	132	76%	0.759	73%	0.725	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.2	-18.7	176.9	-145.2	83.1	0	0	0	113.1
70	E	40.8	Very low	35.2	Very low	142 Å²	142	131.6 Å²	131.6	66%	0.664	73%	0.728	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.1	-23.8	176.8	-112.8	161.1	179.5	0	0	112.4	D68 Q74	D68-E70 VanDerWaalsContact C-N 3.35Å; E70-Q74 PolarHBondContact O-OE1 3.01Å
71	A	37.3	Very low	35.3	Very low	66 Å²	66	128.5 Å²	128.5	55%	0.545	73%	0.726	S	S	.	*	T	Hydrogen-bonded Turn	trans	-75.6	-28.9	172.3	0	0	0	0	0	112.7	R73	A71-R73 VanDerWaalsContact C-N 3.3Å; A71-R73 PolarHBondContact O-N 3.38Å
72	A	34.8	Very low	35.4	Very low	72 Å²	72	130.7 Å²	130.7	60%	0.595	74%	0.737	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.9	-10.1	178.2	0	0	0	0	0	114
73	R	37.5	Very low	35.4	Very low	200 Å²	200	128.9 Å²	128.9	76%	0.755	74%	0.737	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89	-13.8	177.6	-161.8	172.6	173.5	148.1	-0.3	113	A71	A71-R73 VanDerWaalsContact C-N 3.3Å; A71-R73 PolarHBondContact O-N 3.38Å
74	Q	36.5	Very low	35.2	Very low	144 Å²	144	123.5 Å²	123.5	67%	0.673	73%	0.734	S	S	*	*	S	Bend	trans	-87.2	-18.4	178.8	-120.4	95.4	1.5	0	0	114	E70	E70-Q74 PolarHBondContact O-OE1 3.01Å
75	D	36	Very low	35	Very low	138 Å²	138	122.1 Å²	122.1	74%	0.738	74%	0.743	S	S	*	*	S	Bend	trans	-96.9	-6.2	-177.2	-86.8	-14	0	0	0	115.2
76	A	34.4	Very low	34.4	Very low	89 Å²	89	121.8 Å²	121.8	74%	0.736	76%	0.758	S	S	*	*	S	Bend	trans	-96	3.7	176	0	0	0	0	0	114.3
77	L	36.2	Very low	34	Very low	147 Å²	147	120.2 Å²	120.2	77%	0.77	76%	0.763	S	S	*	*	S	Bend	trans	-107.2	2.5	176.3	-83.6	163.3	0	0	0	113.8
78	N	33.3	Very low	33.5	Very low	135 Å²	135	123.5 Å²	123.5	72%	0.722	77%	0.77	S	S	*	*	S	Bend	trans	-109.5	56.2	175.2	-78.3	-22.6	0	0	0	111.9
79	E	34.7	Very low	33	Very low	186 Å²	186	125.8 Å²	125.8	87%	0.869	79%	0.787	S	S	*	*	S	Bend	trans	-152.6	34.2	160.2	-124.4	-179.5	-155.2	0	0	114.4
80	V	37.7	Very low	32.8	Very low	145 Å²	145	124.7 Å²	124.7	88%	0.879	79%	0.789	S	S	*	*	S	Bend	trans	-147.4	68.9	159.3	-169	0	0	0	0	110
81	A	29.8	Very low	32.1	Very low	106 Å²	106	122.6 Å²	122.6	88%	0.876	80%	0.796	S	S	*	*			trans	-179	88.2	155.9	0	0	0	0	0	111.2
82	A	28.1	Very low	31.8	Very low	111 Å²	111	124.1 Å²	124.1	92%	0.917	81%	0.808	S	S	*	*			trans	-119.9	111.2	156.5	0	0	0	0	0	107.4
83	G	27.4	Very low	31.6	Very low	81 Å²	81	128.7 Å²	128.7	84%	0.835	82%	0.821	S	S	*	*			trans	177	19	-179	0	0	0	0	0	119.8
84	G	27.2	Very low	31.1	Very low	80 Å²	80	125 Å²	125	83%	0.825	82%	0.821	S	S	*	*			trans	77.5	117.4	148.3	0	0	0	0	0	120.2
85	A	27.2	Very low	31.5	Very low	113 Å²	113	123.1 Å²	123.1	93%	0.934	82%	0.821	S	S	*	*			trans	-163.1	121.1	132.5	0	0	0	0	0	109.9
86	G	30.1	Very low	31.1	Very low	85 Å²	85	123.3 Å²	123.3	88%	0.876	82%	0.822	S	S	*	*			trans	-157.8	78	175.9	0	0	0	0	0	110.7
87	G	28.5	Very low	30.8	Very low	82 Å²	82	123.6 Å²	123.6	85%	0.845	82%	0.819	S	S	*	*			trans	-94.3	134.4	167.4	0	0	0	0	0	110.8
88	R	28.4	Very low	30.5	Very low	243 Å²	243	121.8 Å²	121.8	92%	0.917	81%	0.814	S	S	*	*			trans	-107.1	135.9	155.2	-98.3	-179.6	174.4	168	-1.3	108.5
89	T	28.6	Very low	30.4	Very low	131 Å²	131	123.4 Å²	123.4	80%	0.804	82%	0.817	S	S	*	*			trans	-47.5	155.9	175.4	49.7	0	0	0	0	114.2
90	P	33.4	Very low	30.7	Very low	122 Å²	122	119.9 Å²	119.9	79%	0.792	81%	0.81	S	S	*	*				-142.5	154.4	87.6	33.7	-15.8	0	0	0	116.5
91	A	27.8	Very low	30.8	Very low	98 Å²	98	119.1 Å²	119.1	81%	0.81	81%	0.811	S	S	*	*			trans	60	121	142.5	0	0	0	0	0	121.1
92	A	30.7	Very low	31	Very low	98 Å²	98	118.6 Å²	118.6	81%	0.81	81%	0.807	S	S	*	*			trans	-73.9	134.1	166.3	0	0	0	0	0	112.4
93	I	29.2	Very low	31.5	Very low	169 Å²	169	121.7 Å²	121.7	87%	0.867	81%	0.808	S	S	*	*			trans	-148.9	111.2	148.1	-58.2	-175.8	0	0	0	108
94	T	27	Very low	31.9	Very low	122 Å²	122	121.1 Å²	121.1	75%	0.748	80%	0.802	S	S	*	*			trans	-83.7	172.4	153	46	0	0	0	0	109.5
95	P	45	Very low	32.9	Very low	104 Å²	104	126 Å²	126	68%	0.675	81%	0.808	S	S	*	*			cis	-135	176.9	-14.9	28.3	-5.8	0	0	0	113.1
96	N	28	Very low	33.6	Very low	142 Å²	142	131.2 Å²	131.2	76%	0.759	80%	0.804	S	S	*	*			trans	150.1	110.2	133.2	-86.3	-12.9	0	0	0	110.8
97	S	29.5	Very low	34.1	Very low	95 Å²	95	131.3 Å²	131.3	66%	0.664	81%	0.805	S	S	*	*				80.7	113.4	106.5	79.9	0	0	0	0	111
98	T	29.6	Very low	34.9	Very low	110 Å²	110	138.8 Å²	138.8	68%	0.675	81%	0.808	S	S	*	*				174.4	161.8	73.2	35.7	0	0	0	0	109.7
99	H	31.2	Very low	35.6	Very low	169 Å²	169	137.5 Å²	137.5	78%	0.782	80%	0.803	S	S	*	*			trans	85.8	151.5	153.9	-69.8	-51.7	0	0	0	119.3
100	P	39.9	Very low	36.6	Very low	112 Å²	112	135.8 Å²	135.8	73%	0.727	80%	0.796	S	S	*	*				-128.5	174.9	-95.3	24.4	0.3	0	0	0	113
101	S	39.2	Very low	37.4	Very low	128 Å²	128	138.6 Å²	138.6	90%	0.895	80%	0.796	S	S	*	*			trans	-49.5	133.1	171.1	-55.1	0	0	0	0	113.8
102	A	34.9	Very low	38.4	Very low	96 Å²	96	140.1 Å²	140.1	79%	0.793	79%	0.791	S	S	*	*			trans	-148.2	107.7	157	0	0	0	0	0	111
103	N	39.2	Very low	39.2	Very low	175 Å²	175	139.3 Å²	139.3	94%	0.936	78%	0.784	S	S	*	*			trans	-49.3	138.2	154.6	-86.8	-29.2	0	0	0	110.5
104	G	34.6	Very low	40.1	Very low	69 Å²	69	135.6 Å²	135.6	71%	0.711	77%	0.766	S	S	*	*			trans	-179.4	83.7	173.5	0	0	0	0	0	114.1	R106	G104-R106 PolarHBondContact O-N 2.97Å
105	L	48.1	Very low	41.2	Very low	182 Å²	182	135.7 Å²	135.7	95%	0.953	76%	0.759	S	S	*	*			trans	-44.8	117	159.5	-86.9	125.4	0	0	0	111.1
106	R	42.6	Very low	41.6	Very low	223 Å²	223	135.9 Å²	135.9	84%	0.842	76%	0.763	S	S	*	*			trans	-157.8	63	161.9	-119.5	176	-172.9	-173.7	3.9	113.1	G104	G104-R106 PolarHBondContact O-N 2.97Å
107	G	41.3	Very low	43	Very low	87 Å²	87	132.4 Å²	132.4	90%	0.897	74%	0.744	S	S	*	*			trans	-107.3	37.4	167.1	0	0	0	0	0	112.9
108	R	44.6	Very low	44.6	Very low	240 Å²	240	131.7 Å²	131.7	91%	0.906	74%	0.739	S	S	*	*			trans	-119.1	57.1	177.8	-150.3	-179.1	-165.6	-178.5	4.8	110.1
109	R	43.6	Very low	46.1	Very low	215 Å²	215	137 Å²	137	81%	0.811	75%	0.747	S	S	*	*			trans	-150.9	77	170.4	-72.7	-166.3	176.3	175.4	-3.2	109.7
110	S	49.7	Very low	47.7	Very low	95 Å²	95	137.5 Å²	137.5	66%	0.664	75%	0.747	S	S	*	*	S	Bend	trans	-154.3	-20.3	163.9	-177.1	0	0	0	0	111.8	D112	S110-D112 PolarHBondContact O-N 3.45Å
111	F	49.5	Very low	48.7	Very low	182 Å²	182	139.4 Å²	139.4	80%	0.798	74%	0.739	S	S	*	*	G	3₁₀ helix	trans	-74.8	-19.5	174.8	-95	-85.5	0	0	0	115.1
112	D	49.5	Very low	49.9	Very low	130 Å²	130	138 Å²	138	70%	0.695	71%	0.714	S	S	*	*	G	3₁₀ helix	trans	-86.1	-12	-177.1	-71.2	-30	0	0	0	114.4	S110	S110-D112 PolarHBondContact O-N 3.45Å
113	A	47.2	Very low	51.6	Low	81 Å²	81	138.8 Å²	138.8	67%	0.669	70%	0.704	S	S	*	*	G	3₁₀ helix	trans	-83.9	-11.2	174.4	0	0	0	0	0	113.4	M115	A113-M115 VanDerWaalsContact C-N 3.33Å
114	L	48.2	Very low	53.3	Low	91 Å²	91	135.5 Å²	135.5	48%	0.476	69%	0.686	S	S	.	*	G	3₁₀ helix	trans	-86.6	-3.9	174.3	-102.9	146.7	0	0	0	113	R122	L114-R122 PolarHBondContact O-NE 3.39Å
115	M	51.1	Low	55.2	Low	123 Å²	123	139.2 Å²	139.2	61%	0.606	68%	0.679	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89	-1.3	-174.9	-91	-106.1	-89.5	0	0	116	A113 R122	A113-M115 VanDerWaalsContact C-N 3.33Å; M115-R122 VanDerWaalsContact C-NH2 3.3Å; M115-R122 PolarHBondContact O-NH2 3.07Å; M115-R122 PolarHBondContact SD-NH1 2.98Å; M115-R122 VanDerWaalsContact SD-NH1 3.44Å; M115-R122 PolarHBondContact SD-NH2 3.43Å
116	S	52	Low	56.6	Low	108 Å²	108	135 Å²	135	76%	0.755	66%	0.661	S	S	*	*	T	Hydrogen-bonded Turn	trans	-105.7	14.3	-179.9	68.5	0	0	0	0	116.3
117	L	56.8	Low	58.4	Low	69 Å²	69	127.6 Å²	127.6	36%	0.361	64%	0.641	S	S	.	*	S	Bend	trans	-108.7	135.2	178.9	-76.1	156.2	0	0	0	112.6	R121	L117-R121 HydrophobicContact CB-CB 4.46Å
118	S	64.5	Low	60.3	Low	80 Å²	80	126.5 Å²	126.5	56%	0.559	62%	0.617	S	S	*	*			trans	-41.3	140.5	-179.6	169.6	0	0	0	0	113.8	K120 R121 R122	S118-K120 PolarHBondContact O-N 3.46Å; S118-R121 PolarHBondContact O-N 2.97Å; S118-R122 PolarHBondContact O-N 2.92Å
119	R	60.6	Low	62.1	Low	222 Å²	222	118 Å²	118	84%	0.838	60%	0.597	S	S	*	*	H	α-helix	trans	-46.3	-33.3	-176.5	-76.5	-175.7	-173	-176.1	1.8	113.9	I123	R119-I123 WeakPolarHBondContact O-CG1 3.36Å; R119-I123 PolarHBondContact O-N 2.96Å
120	K	64	Low	64.1	Low	180 Å²	180	111.4 Å²	111.4	78%	0.783	58%	0.584	S	S	*	*	H	α-helix	trans	-66.1	-34.9	176.9	-67.2	-172.5	177.6	-175.8	0	113.5	S118 L124	S118-K120 PolarHBondContact O-N 3.46Å; K120-L124 PolarHBondContact O-N 3.29Å
121	R	62.2	Low	65.9	Low	152 Å²	152	112.2 Å²	112.2	57%	0.574	58%	0.58	S	S	*	*	H	α-helix	trans	-78.1	-33.4	179.1	-68.5	-175.4	-176.3	-164.9	1.5	112.4	L117 S118 L124 Y125	L117-R121 HydrophobicContact CB-CB 4.46Å; S118-R121 PolarHBondContact O-N 2.97Å; R121-L124 PolarHBondContact O-N 2.98Å; R121-Y125 VanDerWaalsContact O-CD2 3.26Å; R121-Y125 WeakPolarHBondContact O-CD2 3.29Å; R121-Y125 PolarHBondContact O-N 3.32Å
122	R	63.1	Low	67.7	Low	98 Å²	98	107.1 Å²	107.1	37%	0.37	57%	0.566	S	S	.	*	H	α-helix	trans	-65	-41.9	173.7	-75.1	-166.2	-165.2	176.7	13.2	112.6	L114 M115 S118 L124 Y125 V126	L114-R122 PolarHBondContact O-NE 3.39Å; M115-R122 VanDerWaalsContact C-NH2 3.3Å; M115-R122 PolarHBondContact O-NH2 3.07Å; M115-R122 PolarHBondContact SD-NH1 2.98Å; M115-R122 VanDerWaalsContact SD-NH1 3.44Å; M115-R122 PolarHBondContact SD-NH2 3.43Å; S118-R122 PolarHBondContact O-N 2.92Å; R122-L124 VanDerWaalsContact C-N 3.3Å; R122-L124 PolarHBondContact O-N 3.5Å; R122-Y125 PolarHBondContact O-N 2.9Å; R122-V126 WeakPolarHBondContact O-CB 3.43Å; R122-V126 VanDerWaalsContact O-CG2 3.29Å; R122-V126 WeakPolarHBondContact O-CG2 3.26Å; R122-V126 PolarHBondContact O-N 2.95Å
123	I	71.6	Confident	69.5	Low	112 Å²	112	103.5 Å²	103.5	57%	0.574	56%	0.555	S	S	*	*	H	α-helix	trans	-60.5	-45.6	175	-65.1	167.7	0	0	0	109.3	R119 Y125 V126 T127	R119-I123 WeakPolarHBondContact O-CG1 3.36Å; R119-I123 PolarHBondContact O-N 2.96Å; I123-Y125 PolarHBondContact O-N 3.2Å; I123-V126 PolarHBondContact O-N 2.91Å; I123-T127 HydrophobicContact CG2-CG2 4.14Å; I123-T127 WeakPolarHBondContact O-CB 3.49Å; I123-T127 VanDerWaalsContact O-CG2 3.27Å; I123-T127 WeakPolarHBondContact O-CG2 3.42Å; I123-T127 PolarHBondContact O-N 3.35Å; I123-T127 PolarHBondContact O-OG1 2.92Å
124	L	73.9	Confident	71.6	Confident	107 Å²	107	104.7 Å²	104.7	56%	0.56	55%	0.549	S	S	*	.	H	α-helix	trans	-57.7	-47.9	177.6	-168.3	69.5	0	0	0	112.6	K120 R121 R122 T127 T128	K120-L124 PolarHBondContact O-N 3.29Å; R121-L124 PolarHBondContact O-N 2.98Å; R122-L124 VanDerWaalsContact C-N 3.3Å; R122-L124 PolarHBondContact O-N 3.5Å; L124-T127 WeakPolarHBondContact CA-OG1 3.43Å; L124-T127 PolarHBondContact O-N 3.29Å; L124-T127 PolarHBondContact O-OG1 2.88Å; L124-T128 WeakPolarHBondContact O-CG2 3.27Å; L124-T128 PolarHBondContact O-N 3.49Å; L124-T128 PolarHBondContact O-OG1 3.46Å
125	Y	74.7	Confident	73.5	Confident	146 Å²	146	104.8 Å²	104.8	57%	0.573	55%	0.549	S	S	*	.	H	α-helix	trans	-66.7	-37.4	178.7	-86.3	-73.8	0	0	0	113.8	R121 R122 I123 T128 A129	R121-Y125 VanDerWaalsContact O-CD2 3.26Å; R121-Y125 WeakPolarHBondContact O-CD2 3.29Å; R121-Y125 PolarHBondContact O-N 3.32Å; R122-Y125 PolarHBondContact O-N 2.9Å; I123-Y125 PolarHBondContact O-N 3.2Å; Y125-T128 WeakPolarHBondContact CA-OG1 3.25Å; Y125-T128 PolarHBondContact O-OG1 2.91Å; Y125-T128 VanDerWaalsContact O-OG1 3.07Å; Y125-A129 VanDerWaalsContact O-CB 3.25Å; Y125-A129 WeakPolarHBondContact O-CB 3.36Å; Y125-A129 PolarHBondContact O-N 3.47Å
126	V	79.3	Confident	75.4	Confident	94 Å²	94	103.9 Å²	103.9	57%	0.57	55%	0.546	S	S	*	.	H	α-helix	trans	-70.8	-38.8	176.7	173.4	0	0	0	0	110.5	R122 I123 C130	R122-V126 WeakPolarHBondContact O-CB 3.43Å; R122-V126 VanDerWaalsContact O-CG2 3.29Å; R122-V126 WeakPolarHBondContact O-CG2 3.26Å; R122-V126 PolarHBondContact O-N 2.95Å; I123-V126 PolarHBondContact O-N 2.91Å; V126-C130 WeakPolarHBondContact O-CB 3.37Å; V126-C130 PolarHBondContact O-N 2.95Å; V126-C130 PolarHBondContact O-SG 3.29Å
127	T	78.7	Confident	77.2	Confident	68 Å²	68	103.6 Å²	103.6	42%	0.417	54%	0.536	S	S	.	.	H	α-helix	trans	-66.8	-40.9	175.7	54.3	0	0	0	0	112.2	I123 L124 C130 L131	I123-T127 HydrophobicContact CG2-CG2 4.14Å; I123-T127 WeakPolarHBondContact O-CB 3.49Å; I123-T127 VanDerWaalsContact O-CG2 3.27Å; I123-T127 WeakPolarHBondContact O-CG2 3.42Å; I123-T127 PolarHBondContact O-N 3.35Å; I123-T127 PolarHBondContact O-OG1 2.92Å; L124-T127 WeakPolarHBondContact CA-OG1 3.43Å; L124-T127 PolarHBondContact O-N 3.29Å; L124-T127 PolarHBondContact O-OG1 2.88Å; T127-C130 PolarHBondContact O-N 3.43Å; T127-L131 WeakPolarHBondContact O-CB 3.45Å; T127-L131 PolarHBondContact O-N 3.28Å
128	T	81.8	Confident	78.7	Confident	63 Å²	63	104 Å²	104	39%	0.387	54%	0.537	S	S	.	.	H	α-helix	trans	-69.7	-39	176.5	49.2	0	0	0	0	112	L124 Y125 L131 C132	L124-T128 WeakPolarHBondContact O-CG2 3.27Å; L124-T128 PolarHBondContact O-N 3.49Å; L124-T128 PolarHBondContact O-OG1 3.46Å; Y125-T128 WeakPolarHBondContact CA-OG1 3.25Å; Y125-T128 PolarHBondContact O-OG1 2.91Å; Y125-T128 VanDerWaalsContact O-OG1 3.07Å; T128-L131 PolarHBondContact O-N 2.78Å; T128-C132 WeakPolarHBondContact O-CB 3.45Å; T128-C132 PolarHBondContact O-N 2.86Å; T128-C132 PolarHBondContact O-SG 3.37Å
129	A	83.4	Confident	79.8	Confident	61 Å²	61	104.2 Å²	104.2	50%	0.504	53%	0.532	S	S	.	.	H	α-helix	trans	-63	-41.6	174.1	0	0	0	0	0	112.3	Y125 C132 A133	Y125-A129 VanDerWaalsContact O-CB 3.25Å; Y125-A129 WeakPolarHBondContact O-CB 3.36Å; Y125-A129 PolarHBondContact O-N 3.47Å; A129-C132 PolarHBondContact O-N 3.32Å; A129-A133 WeakPolarHBondContact O-CB 3.49Å; A129-A133 PolarHBondContact O-N 3.36Å
130	C	85	Confident	81.1	Confident	78 Å²	78	98.5 Å²	98.5	53%	0.527	52%	0.517	S	S	.	.	H	α-helix	trans	-63.7	-42.7	173.3	-77.3	0	0	0	0	111.9	V126 T127 C132 A133 L134	V126-C130 WeakPolarHBondContact O-CB 3.37Å; V126-C130 PolarHBondContact O-N 2.95Å; V126-C130 PolarHBondContact O-SG 3.29Å; T127-C130 PolarHBondContact O-N 3.43Å; C130-C132 PolarHBondContact O-N 2.93Å; C130-A133 PolarHBondContact O-N 3.5Å; C130-L134 WeakPolarHBondContact O-CB 3.5Å; C130-L134 PolarHBondContact O-N 2.87Å
131	L	87.2	Confident	82.1	Confident	111 Å²	111	93.8 Å²	93.8	58%	0.581	50%	0.5	S	S	*	.	H	α-helix	trans	-61.3	-43.7	176.9	-116.8	155.3	0	0	0	112	T127 T128 L134 L135	T127-L131 WeakPolarHBondContact O-CB 3.45Å; T127-L131 PolarHBondContact O-N 3.28Å; T128-L131 PolarHBondContact O-N 2.78Å; L131-L134 PolarHBondContact O-N 3.3Å; L131-L135 HydrophobicContact CD2-CD1 4.42Å; L131-L135 WeakPolarHBondContact O-CB 3.43Å; L131-L135 WeakPolarHBondContact O-CG 3.45Å; L131-L135 PolarHBondContact O-N 3.43Å
132	C	87.6	Confident	83.1	Confident	75 Å²	75	91.7 Å²	91.7	51%	0.507	50%	0.499	S	S	.	.	H	α-helix	trans	-64.8	-40.1	175.8	-70.7	0	0	0	0	112.2	T128 A129 C130 L134 L135 L136	T128-C132 WeakPolarHBondContact O-CB 3.45Å; T128-C132 PolarHBondContact O-N 2.86Å; T128-C132 PolarHBondContact O-SG 3.37Å; A129-C132 PolarHBondContact O-N 3.32Å; C130-C132 PolarHBondContact O-N 2.93Å; C132-L134 VanDerWaalsContact C-N 3.34Å; C132-L135 PolarHBondContact O-N 2.8Å; C132-L136 WeakPolarHBondContact O-CB 3.29Å; C132-L136 PolarHBondContact O-N 2.82Å
133	A	87.3	Confident	84	Confident	55 Å²	55	92.1 Å²	92.1	46%	0.455	51%	0.508	S	S	.	.	H	α-helix	trans	-65.2	-38.8	175.8	0	0	0	0	0	111.9	A129 C130 L136 L137	A129-A133 WeakPolarHBondContact O-CB 3.49Å; A129-A133 PolarHBondContact O-N 3.36Å; C130-A133 PolarHBondContact O-N 3.5Å; A133-L136 PolarHBondContact O-N 3.36Å; A133-L137 WeakPolarHBondContact O-CB 3.26Å; A133-L137 PolarHBondContact O-N 2.84Å
134	L	89.9	Confident	84.3	Confident	106 Å²	106	90.4 Å²	90.4	56%	0.555	51%	0.511	S	S	*	.	H	α-helix	trans	-69	-40.8	177.7	-142.5	156	0	0	0	111.2	C130 L131 C132 L137 I138	C130-L134 WeakPolarHBondContact O-CB 3.5Å; C130-L134 PolarHBondContact O-N 2.87Å; L131-L134 PolarHBondContact O-N 3.3Å; C132-L134 VanDerWaalsContact C-N 3.34Å; L134-L137 WeakPolarHBondContact O-CB 3.44Å; L134-L137 PolarHBondContact O-N 2.93Å; L134-I138 HydrophobicContact CD2-CD1 3.69Å; L134-I138 HydrophobicContact CD2-CG1 4.25Å; L134-I138 VanDerWaalsContact O-CG1 3.29Å; L134-I138 WeakPolarHBondContact O-CG1 3.22Å; L134-I138 PolarHBondContact O-N 3.48Å
135	L	89.7	Confident	84.3	Confident	92 Å²	92	93 Å²	93	48%	0.482	52%	0.518	S	S	.	.	H	α-helix	trans	-62.8	-42.9	172.2	-80.5	166.1	0	0	0	112.4	L131 C132 L137 I138 I139	L131-L135 HydrophobicContact CD2-CD1 4.42Å; L131-L135 WeakPolarHBondContact O-CB 3.43Å; L131-L135 WeakPolarHBondContact O-CG 3.45Å; L131-L135 PolarHBondContact O-N 3.43Å; C132-L135 PolarHBondContact O-N 2.8Å; L135-L137 VanDerWaalsContact C-N 3.34Å; L135-L137 PolarHBondContact O-N 3.4Å; L135-I138 PolarHBondContact O-N 2.82Å; L135-I139 VanDerWaalsContact O-CG1 3.26Å; L135-I139 WeakPolarHBondContact O-CG1 3.48Å; L135-I139 PolarHBondContact O-N 3.33Å
136	L	90.2	Very high	84.2	Confident	104 Å²	104	94.1 Å²	94.1	55%	0.545	52%	0.521	S	S	.	.	H	α-helix	trans	-61.8	-41.6	174.4	-95.7	160.8	0	0	0	111.9	C132 A133 I139 I140	C132-L136 WeakPolarHBondContact O-CB 3.29Å; C132-L136 PolarHBondContact O-N 2.82Å; A133-L136 PolarHBondContact O-N 3.36Å; L136-I139 PolarHBondContact O-N 3.33Å; L136-I140 WeakPolarHBondContact O-CB 3.37Å; L136-I140 VanDerWaalsContact O-CG1 3.23Å; L136-I140 WeakPolarHBondContact O-CG1 3.23Å; L136-I140 PolarHBondContact O-N 3.34Å
137	L	89.6	Confident	83.6	Confident	103 Å²	103	94.4 Å²	94.4	54%	0.539	53%	0.525	S	S	.	.	H	α-helix	trans	-61.9	-43.9	174.4	-112.7	161.7	0	0	0	111.7	A133 L134 L135 I139 I140 L141	A133-L137 WeakPolarHBondContact O-CB 3.26Å; A133-L137 PolarHBondContact O-N 2.84Å; L134-L137 WeakPolarHBondContact O-CB 3.44Å; L134-L137 PolarHBondContact O-N 2.93Å; L135-L137 VanDerWaalsContact C-N 3.34Å; L135-L137 PolarHBondContact O-N 3.4Å; L137-I139 VanDerWaalsContact C-N 3.35Å; L137-I139 PolarHBondContact O-N 2.89Å; L137-I140 PolarHBondContact O-N 3.02Å; L137-L141 HydrophobicContact CD2-CD1 4.36Å; L137-L141 WeakPolarHBondContact O-CB 3.46Å; L137-L141 WeakPolarHBondContact O-CG 3.24Å; L137-L141 PolarHBondContact O-N 3.08Å
138	I	88.1	Confident	82.8	Confident	76 Å²	76	99.2 Å²	99.2	39%	0.39	54%	0.543	S	S	.	.	H	α-helix	trans	-62.3	-42.2	175.3	-69.2	164.8	0	0	0	110.8	L134 L135 L141 L142	L134-I138 HydrophobicContact CD2-CD1 3.69Å; L134-I138 HydrophobicContact CD2-CG1 4.25Å; L134-I138 VanDerWaalsContact O-CG1 3.29Å; L134-I138 WeakPolarHBondContact O-CG1 3.22Å; L134-I138 PolarHBondContact O-N 3.48Å; L135-I138 PolarHBondContact O-N 2.82Å; I138-L141 PolarHBondContact O-N 3.22Å; I138-L142 HydrophobicContact CG2-CD1 3.76Å; I138-L142 HydrophobicContact CG2-CG 4.29Å; I138-L142 WeakPolarHBondContact O-CB 3.21Å; I138-L142 VanDerWaalsContact O-CG 3.24Å; I138-L142 WeakPolarHBondContact O-CG 3.25Å; I138-L142 PolarHBondContact O-N 2.93Å
139	I	87.5	Confident	82	Confident	86 Å²	86	99.3 Å²	99.3	44%	0.441	54%	0.544	S	S	.	.	H	α-helix	trans	-65.5	-42.7	177.5	-69.1	164.1	0	0	0	111.1	L135 L136 L137 L141 L142 L143	L135-I139 VanDerWaalsContact O-CG1 3.26Å; L135-I139 WeakPolarHBondContact O-CG1 3.48Å; L135-I139 PolarHBondContact O-N 3.33Å; L136-I139 PolarHBondContact O-N 3.33Å; L137-I139 VanDerWaalsContact C-N 3.35Å; L137-I139 PolarHBondContact O-N 2.89Å; I139-L141 VanDerWaalsContact C-N 3.34Å; I139-L142 PolarHBondContact O-N 3.04Å; I139-L143 HydrophobicContact CG2-CD1 3.82Å; I139-L143 HydrophobicContact CG2-CG 4.42Å; I139-L143 WeakPolarHBondContact O-CB 3.27Å; I139-L143 VanDerWaalsContact O-CG 3.31Å; I139-L143 WeakPolarHBondContact O-CG 3.21Å; I139-L143 PolarHBondContact O-N 3.11Å
140	I	87.5	Confident	81.2	Confident	101 Å²	101	99 Å²	99	52%	0.518	54%	0.536	S	S	.	.	H	α-helix	trans	-64.3	-41.4	176.5	-69.3	165.4	0	0	0	110.3	L136 L137 L143 A144	L136-I140 WeakPolarHBondContact O-CB 3.37Å; L136-I140 VanDerWaalsContact O-CG1 3.23Å; L136-I140 WeakPolarHBondContact O-CG1 3.23Å; L136-I140 PolarHBondContact O-N 3.34Å; L137-I140 PolarHBondContact O-N 3.02Å; I140-L143 PolarHBondContact O-N 3.23Å; I140-A144 WeakPolarHBondContact O-CB 3.24Å; I140-A144 PolarHBondContact O-N 3.3Å
141	L	85.9	Confident	80.2	Confident	82 Å²	82	101.6 Å²	101.6	43%	0.429	54%	0.539	S	S	.	.	H	α-helix	trans	-64.6	-43.4	174.1	-71.5	167.2	0	0	0	111	L137 I138 I139 L143 A144 F145	L137-L141 HydrophobicContact CD2-CD1 4.36Å; L137-L141 WeakPolarHBondContact O-CB 3.46Å; L137-L141 WeakPolarHBondContact O-CG 3.24Å; L137-L141 PolarHBondContact O-N 3.08Å; I138-L141 PolarHBondContact O-N 3.22Å; I139-L141 VanDerWaalsContact C-N 3.34Å; L141-L143 VanDerWaalsContact C-N 3.3Å; L141-L143 PolarHBondContact O-N 3.24Å; L141-A144 PolarHBondContact O-N 3.19Å; L141-F145 HydrophobicContact CB-CD2 4.34Å; L141-F145 HydrophobicContact CD2-CD2 4.17Å; L141-F145 HydrophobicContact CD2-CE2 3.72Å; L141-F145 VanDerWaalsContact O-CB 3.27Å; L141-F145 WeakPolarHBondContact O-CB 3.31Å; L141-F145 WeakPolarHBondContact O-CD2 3.29Å; L141-F145 PolarHBondContact O-N 3.43Å
142	L	84.1	Confident	79.1	Confident	107 Å²	107	100.4 Å²	100.4	56%	0.56	53%	0.527	S	S	*	.	H	α-helix	trans	-64.3	-32.9	175.9	-76.6	167.8	0	0	0	112.8	I138 I139 W146	I138-L142 HydrophobicContact CG2-CD1 3.76Å; I138-L142 HydrophobicContact CG2-CG 4.29Å; I138-L142 WeakPolarHBondContact O-CB 3.21Å; I138-L142 VanDerWaalsContact O-CG 3.24Å; I138-L142 WeakPolarHBondContact O-CG 3.25Å; I138-L142 PolarHBondContact O-N 2.93Å; I139-L142 PolarHBondContact O-N 3.04Å; L142-W146 VanDerWaalsContact O-CA 3.29Å; L142-W146 WeakPolarHBondContact O-CA 3.04Å; L142-W146 VanDerWaalsContact O-CB 3.24Å; L142-W146 WeakPolarHBondContact O-CB 3.33Å; L142-W146 PolarHBondContact O-N 3.08Å
143	L	80.8	Confident	78	Confident	107 Å²	107	100 Å²	100	56%	0.56	52%	0.519	S	S	*	.	H	α-helix	trans	-76.3	-39.6	174.6	-74.9	166.1	0	0	0	112.1	I139 I140 L141 W146	I139-L143 HydrophobicContact CG2-CD1 3.82Å; I139-L143 HydrophobicContact CG2-CG 4.42Å; I139-L143 WeakPolarHBondContact O-CB 3.27Å; I139-L143 VanDerWaalsContact O-CG 3.31Å; I139-L143 WeakPolarHBondContact O-CG 3.21Å; I139-L143 PolarHBondContact O-N 3.11Å; I140-L143 PolarHBondContact O-N 3.23Å; L141-L143 VanDerWaalsContact C-N 3.3Å; L141-L143 PolarHBondContact O-N 3.24Å; L143-W146 HydrophobicContact CD2-CE3 3.84Å; L143-W146 HydrophobicContact CD2-CZ3 4.05Å; L143-W146 PolarHBondContact O-N 3.32Å
144	A	77.9	Confident	77.1	Confident	77 Å²	77	104.9 Å²	104.9	64%	0.636	53%	0.526	S	S	*	.	H	α-helix	trans	-73.3	-31.1	178.3	0	0	0	0	0	112.8	I140 L141	I140-A144 WeakPolarHBondContact O-CB 3.24Å; I140-A144 PolarHBondContact O-N 3.3Å; L141-A144 PolarHBondContact O-N 3.19Å
145	F	73.1	Confident	76.4	Confident	161 Å²	161	100.1 Å²	100.1	71%	0.706	50%	0.502	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.6	12.7	173.8	-66.9	-73.2	0	0	0	112.4	L141 P147	L141-F145 HydrophobicContact CB-CD2 4.34Å; L141-F145 HydrophobicContact CD2-CD2 4.17Å; L141-F145 HydrophobicContact CD2-CE2 3.72Å; L141-F145 VanDerWaalsContact O-CB 3.27Å; L141-F145 WeakPolarHBondContact O-CB 3.31Å; L141-F145 WeakPolarHBondContact O-CD2 3.29Å; L141-F145 PolarHBondContact O-N 3.43Å; F145-P147 VanDerWaalsContact O-CD 3.25Å; F145-P147 WeakPolarHBondContact O-CD 3.39Å; F145-P147 VanDerWaalsContact O-N 3.12Å
146	W	72.6	Confident	76	Confident	169 Å²	169	99.7 Å²	99.7	64%	0.64	51%	0.505	S	S	*	.	S	Bend	trans	-64.6	117.9	173.1	-152	-54.4	0	0	0	106.5	L142 L143 E148	L142-W146 VanDerWaalsContact O-CA 3.29Å; L142-W146 WeakPolarHBondContact O-CA 3.04Å; L142-W146 VanDerWaalsContact O-CB 3.24Å; L142-W146 WeakPolarHBondContact O-CB 3.33Å; L142-W146 PolarHBondContact O-N 3.08Å; L143-W146 HydrophobicContact CD2-CE3 3.84Å; L143-W146 HydrophobicContact CD2-CZ3 4.05Å; L143-W146 PolarHBondContact O-N 3.32Å; W146-E148 PolarHBondContact O-N 3.38Å
147	P	66.8	Low	75.6	Confident	101 Å²	101	97 Å²	97	66%	0.656	49%	0.491	S	S	*	.			trans	-58.2	120.8	179.5	21.2	-30.6	0	0	0	107.9	F145 V149	F145-P147 VanDerWaalsContact O-CD 3.25Å; F145-P147 WeakPolarHBondContact O-CD 3.39Å; F145-P147 VanDerWaalsContact O-N 3.12Å; P147-V149 PolarHBondContact O-N 3.48Å
148	E	63.2	Low	75.4	Confident	169 Å²	169	92.3 Å²	92.3	79%	0.79	47%	0.466	S	S	*	.			trans	-56.3	110	170.6	-74.4	-169.1	167.9	0	0	107	W146 P150	W146-E148 PolarHBondContact O-N 3.38Å; E148-P150 WeakPolarHBondContact O-CD 3.4Å
149	V	64.3	Low	75.2	Confident	65 Å²	65	94.7 Å²	94.7	39%	0.394	48%	0.479	S	S	.	.			trans	-51.9	118.2	175.9	178.1	0	0	0	0	107.5	P147 L153 R154	P147-V149 PolarHBondContact O-N 3.48Å; V149-L153 HydrophobicContact CG1-CB 3.66Å; V149-L153 HydrophobicContact CG1-CD1 4.3Å; V149-R154 HydrophobicContact CB-CG 4.46Å; V149-R154 HydrophobicContact CG1-CG 4.11Å; V149-R154 PolarHBondContact O-NE 2.03Å; V149-R154 VanDerWaalsContact O-NE 3.17Å; V149-R154 PolarHBondContact O-NH2 3.48Å
150	P	66.8	Low	75.1	Confident	53 Å²	53	95.4 Å²	95.4	34%	0.344	48%	0.484	S	S	.	.			trans	-50.4	142.8	-177.1	-27.7	29.3	0	0	0	112.1	E148 Y152 L153	E148-P150 WeakPolarHBondContact O-CD 3.4Å; P150-Y152 HydrophobicContact CB-CD1 3.41Å; P150-Y152 VanDerWaalsContact CB-CD1 3.41Å; P150-Y152 HydrophobicContact CB-CE1 3.06Å; P150-Y152 HydrophobicContact CB-CG 4.32Å; P150-Y152 HydrophobicContact CG-CE1 3.75Å; P150-Y152 PolarHBondContact O-N 3.29Å; P150-Y152 VanDerWaalsContact O-N 3.12Å; P150-L153 HydrophobicContact CG-CD1 4.21Å; P150-L153 WeakPolarHBondContact O-CB 3.28Å; P150-L153 PolarHBondContact O-N 3.43Å
151	F	63.8	Low	75.1	Confident	134 Å²	134	98.8 Å²	98.8	59%	0.588	50%	0.495	S	S	*	.	H	α-helix	trans	-52	-39.5	-176.4	177.9	-101.8	0	0	0	112.7	L153 R154 A155 R797	F151-L153 PolarHBondContact O-N 3.21Å; F151-R154 PolarHBondContact O-N 3.03Å; F151-A155 PolarHBondContact O-N 3.17Å; F151-A155 VanDerWaalsContact O-N 3.15Å; F151-R797 HydrophobicContact CE1-CB 3.99Å; F151-R797 HydrophobicContact CE1-CG 4.06Å
152	Y	63.9	Low	75	Confident	86 Å²	86	96.9 Å²	96.9	34%	0.337	48%	0.484	S	S	.	.	H	α-helix	trans	-61.9	-25.8	178.5	69	-92.3	0	0	0	113.6	P150 R799 N807	P150-Y152 HydrophobicContact CB-CD1 3.41Å; P150-Y152 VanDerWaalsContact CB-CD1 3.41Å; P150-Y152 HydrophobicContact CB-CE1 3.06Å; P150-Y152 HydrophobicContact CB-CG 4.32Å; P150-Y152 HydrophobicContact CG-CE1 3.75Å; P150-Y152 PolarHBondContact O-N 3.29Å; P150-Y152 VanDerWaalsContact O-N 3.12Å; Y152-R799 WeakPolarHBondContact O-CD 3.49Å; Y152-R799 WeakPolarHBondContact O-CG 3.44Å; Y152-N807 HydrophobicContact CD1-CB 4.31Å; Y152-N807 HydrophobicContact CD2-CB 4.48Å; Y152-N807 HydrophobicContact CE1-CB 4.41Å; Y152-N807 HydrophobicContact CG-CB 4.37Å
153	L	64.1	Low	75	Confident	65 Å²	65	92.2 Å²	92.2	34%	0.34	46%	0.46	S	S	.	.	H	α-helix	trans	-82.9	-16.7	175.2	-72.7	170	0	0	0	113.5	V149 P150 F151 R799	V149-L153 HydrophobicContact CG1-CB 3.66Å; V149-L153 HydrophobicContact CG1-CD1 4.3Å; P150-L153 HydrophobicContact CG-CD1 4.21Å; P150-L153 WeakPolarHBondContact O-CB 3.28Å; P150-L153 PolarHBondContact O-N 3.43Å; F151-L153 PolarHBondContact O-N 3.21Å; L153-R799 PolarHBondContact O-NH1 3.34Å; L153-R799 PolarHBondContact O-NH2 3.3Å
154	R	68.8	Low	75.4	Confident	158 Å²	158	90.3 Å²	90.3	60%	0.596	45%	0.453	S	S	*	.	H	α-helix	trans	-90.6	-22.1	175.5	-62.9	-178.1	-174.5	158.3	5.6	112.9	V149 F151	V149-R154 HydrophobicContact CB-CG 4.46Å; V149-R154 HydrophobicContact CG1-CG 4.11Å; V149-R154 PolarHBondContact O-NE 2.03Å; V149-R154 VanDerWaalsContact O-NE 3.17Å; V149-R154 PolarHBondContact O-NH2 3.48Å; F151-R154 PolarHBondContact O-N 3.03Å
155	A	74.8	Confident	76	Confident	6 Å²	6	88.8 Å²	88.8	5%	0.05	43%	0.432	C	S	.	.	S	Bend	trans	-55.3	143.4	179.7	0	0	0	0	0	113.1	F151 R797 R799	F151-A155 PolarHBondContact O-N 3.17Å; F151-A155 VanDerWaalsContact O-N 3.15Å; A155-R797 WeakPolarHBondContact CB-O 3.41Å; A155-R799 HydrophobicContact CB-CG 4.13Å; A155-R799 PolarHBondContact O-NE 3.41Å; A155-R799 PolarHBondContact O-NH2 3.32Å
156	P	81.6	Confident	76.7	Confident	84 Å²	84	81.1 Å²	81.1	55%	0.545	40%	0.399	S	S	.	.	P	Polyproline II helix	trans	-65.9	153.7	174.9	27	-31.2	0	0	0	111.3	L798 R799	P156-L798 HydrophobicContact CG-CD2 3.75Å; P156-R799 PolarHBondContact O-N 2.98Å
157	L	83.4	Confident	77.5	Confident	48 Å²	48	73.5 Å²	73.5	25%	0.251	37%	0.371	S	S	.	.	B	Isolated β-bridge	trans	-78.3	132.9	177.1	-165.9	71.5	0	0	0	109.7	L159 R799 R804	L157-L159 HydrophobicContact CD2-CD2 3.7Å; L157-L159 HydrophobicContact CD2-CG 4.32Å; L157-L159 HydrophobicContact CG-CD2 4.24Å; L157-L159 PolarHBondContact O-N 2.85Å; L157-R799 HydrophobicContact CD1-CB 3.93Å; L157-R804 HydrophobicContact CD1-CG 3.79Å
158	C	84.1	Confident	78.7	Confident	3 Å²	3	74.4 Å²	74.4	2%	0.02	36%	0.362	C	S	.	.	P	Polyproline II helix	trans	-76.7	120.2	169.2	-164	0	0	0	0	109.6	C163 L798 R799 P801	C158-C163 HydrophobicContact CB-CB 3.35Å; C158-C163 WeakPolarHBondContact CB-SG 3.5Å; C158-C163 WeakPolarHBondContact SG-CB 3.12Å; C158-C163 CovalentContact SG-SG 2.01Å; C158-C163 PolarHBondContact SG-SG 2.81Å; C158-L798 HydrophobicContact CB-CB 3.71Å; C158-L798 HydrophobicContact CB-CD1 3.8Å; C158-L798 HydrophobicContact CB-CG 4.36Å; C158-L798 VanDerWaalsContact SG-CD1 3.56Å; C158-R799 PolarHBondContact N-O 3.31Å; C158-P801 WeakPolarHBondContact O-CD 3.45Å
159	L	84.9	Confident	79.9	Confident	127 Å²	127	67.7 Å²	67.7	67%	0.665	33%	0.33	S	S	*	.			trans	-114	6.6	176.1	-66.7	177.2	0	0	0	112.3	L157	L157-L159 HydrophobicContact CD2-CD2 3.7Å; L157-L159 HydrophobicContact CD2-CG 4.32Å; L157-L159 HydrophobicContact CG-CD2 4.24Å; L157-L159 PolarHBondContact O-N 2.85Å
160	D	84	Confident	81.2	Confident	101 Å²	101	64.6 Å²	64.6	54%	0.54	31%	0.312	S	S	.	.	S	Bend	trans	-66.5	150.1	175.5	-61.7	-33.7	0	0	0	110.4	E162 C163 V164	D160-E162 PolarHBondContact O-N 3.21Å; D160-E162 VanDerWaalsContact O-N 3.11Å; D160-C163 PolarHBondContact O-N 3.17Å; D160-C163 VanDerWaalsContact O-N 3.11Å; D160-V164 WeakPolarHBondContact O-CG2 3.19Å; D160-V164 PolarHBondContact O-N 3.05Å
161	K	87.3	Confident	82.4	Confident	171 Å²	171	64.6 Å²	64.6	74%	0.743	31%	0.308	S	S	*	.	H	α-helix	trans	-50.2	-41.8	-177	177.5	-174.9	173.5	-174.3	0	111.5	V164 E165	K161-V164 PolarHBondContact O-N 3.12Å; K161-E165 WeakPolarHBondContact O-CB 3.37Å; K161-E165 PolarHBondContact O-N 2.89Å
162	E	85.4	Confident	83.6	Confident	42 Å²	42	60.1 Å²	60.1	20%	0.196	29%	0.291	C	S	.	.	H	α-helix	trans	-71.1	-39.5	-175.8	-66.1	81.5	-173.1	0	0	112.9	D160 E165 S166 R675 Y676	D160-E162 PolarHBondContact O-N 3.21Å; D160-E162 VanDerWaalsContact O-N 3.11Å; E162-E165 PolarHBondContact O-N 2.96Å; E162-S166 PolarHBondContact O-N 3.17Å; E162-R675 HydrophobicContact CB-CB 3.93Å; E162-R675 HydrophobicContact CG-CB 4.47Å; E162-R675 IonicContact OE1-CZ 3.54Å; E162-R675 VanDerWaalsContact OE1-CZ 3.22Å; E162-R675 IonicContact OE1-NH1 3.66Å; E162-R675 PolarHBondContact OE1-NH1 3.42Å; E162-R675 IonicContact OE1-NH2 3.53Å; E162-R675 PolarHBondContact OE1-NH2 2.85Å; E162-R675 IonicContact OE2-NH1 3.63Å; E162-Y676 HydrophobicContact CB-CD1 4.41Å; E162-Y676 HydrophobicContact CB-CE1 4.17Å; E162-Y676 WeakPolarHBondContact O-CE1 3.23Å
163	C	83.8	Confident	84.9	Confident	10 Å²	10	56.7 Å²	56.7	7%	0.068	28%	0.277	C	S	.	.	H	α-helix	trans	-66.1	-40.9	173.8	-69.8	0	0	0	0	111.9	C158 D160 E165 S166 S167	C158-C163 HydrophobicContact CB-CB 3.35Å; C158-C163 WeakPolarHBondContact CB-SG 3.5Å; C158-C163 WeakPolarHBondContact SG-CB 3.12Å; C158-C163 CovalentContact SG-SG 2.01Å; C158-C163 PolarHBondContact SG-SG 2.81Å; D160-C163 PolarHBondContact O-N 3.17Å; D160-C163 VanDerWaalsContact O-N 3.11Å; C163-E165 VanDerWaalsContact C-N 3.31Å; C163-S166 PolarHBondContact O-N 2.74Å; C163-S166 PolarHBondContact O-OG 3.05Å; C163-S167 WeakPolarHBondContact O-CB 3.32Å; C163-S167 PolarHBondContact O-N 2.63Å
164	V	89.8	Confident	86.2	Confident	67 Å²	67	53.7 Å²	53.7	41%	0.406	26%	0.262	S	S	.	.	H	α-helix	trans	-63.3	-40.3	174.9	176.6	0	0	0	0	110.5	D160 K161 S167 R168 P801	D160-V164 WeakPolarHBondContact O-CG2 3.19Å; D160-V164 PolarHBondContact O-N 3.05Å; K161-V164 PolarHBondContact O-N 3.12Å; V164-S167 WeakPolarHBondContact O-CB 3.3Å; V164-S167 PolarHBondContact O-N 3.34Å; V164-R168 WeakPolarHBondContact O-CB 3.22Å; V164-R168 PolarHBondContact O-N 3.2Å; V164-P801 HydrophobicContact CG2-CG 4.06Å
165	E	88.9	Confident	87.4	Confident	44 Å²	44	48 Å²	48	21%	0.206	24%	0.243	C	C	.	.	H	α-helix	trans	-64.7	-44.4	175.7	-179.3	56.2	-158.6	0	0	112	K161 E162 C163 S167 R168 Q169	K161-E165 WeakPolarHBondContact O-CB 3.37Å; K161-E165 PolarHBondContact O-N 2.89Å; E162-E165 PolarHBondContact O-N 2.96Å; C163-E165 VanDerWaalsContact C-N 3.31Å; E165-S167 VanDerWaalsContact C-N 3.31Å; E165-S167 PolarHBondContact O-N 3.2Å; E165-R168 WeakPolarHBondContact O-CB 3.35Å; E165-R168 PolarHBondContact O-N 3.11Å; E165-R168 IonicContact OE1-CZ 3.91Å; E165-R168 IonicContact OE1-NE 2.7Å; E165-R168 IonicContact OE1-NH2 2.72Å; E165-R168 PolarHBondContact OE1-NH2 3.25Å; E165-R168 IonicContact OE2-CZ 3.68Å; E165-R168 IonicContact OE2-NE 3.64Å; E165-R168 PolarHBondContact OE2-NE 2.9Å; E165-R168 IonicContact OE2-NH2 3.42Å; E165-Q169 WeakPolarHBondContact O-CG 3.03Å; E165-Q169 PolarHBondContact O-N 3.3Å; E165-Q169 PolarHBondContact OE1-NE2 3.34Å
166	S	88.1	Confident	88.1	Confident	1 Å²	1	50.9 Å²	50.9	1%	0.007	26%	0.26	C	S	.	.	H	α-helix	trans	-60.9	-41.1	175.5	73.6	0	0	0	0	112.3	E162 C163 Q169 L170	E162-S166 PolarHBondContact O-N 3.17Å; C163-S166 PolarHBondContact O-N 2.74Å; C163-S166 PolarHBondContact O-OG 3.05Å; S166-Q169 PolarHBondContact O-N 3.27Å; S166-L170 WeakPolarHBondContact O-CG 3.26Å; S166-L170 PolarHBondContact O-N 3.47Å
167	S	90.5	Very high	88.6	Confident	8 Å²	8	51.5 Å²	51.5	6%	0.056	27%	0.267	C	S	.	.	H	α-helix	trans	-60.5	-49.2	174.1	176.8	0	0	0	0	111.4	C163 V164 E165 Q169 L170 L171 I800 P801	C163-S167 WeakPolarHBondContact O-CB 3.32Å; C163-S167 PolarHBondContact O-N 2.63Å; V164-S167 WeakPolarHBondContact O-CB 3.3Å; V164-S167 PolarHBondContact O-N 3.34Å; E165-S167 VanDerWaalsContact C-N 3.31Å; E165-S167 PolarHBondContact O-N 3.2Å; S167-Q169 VanDerWaalsContact C-N 3.29Å; S167-Q169 PolarHBondContact O-N 2.86Å; S167-L170 PolarHBondContact O-N 2.91Å; S167-L171 WeakPolarHBondContact O-CB 3.31Å; S167-L171 WeakPolarHBondContact O-CG 3.15Å; S167-L171 PolarHBondContact O-N 3.35Å; S167-L171 WeakPolarHBondContact OG-CD1 3.4Å; S167-I800 VanDerWaalsContact CB-CG2 3.44Å; S167-P801 WeakPolarHBondContact CB-O 3.26Å; S167-P801 PolarHBondContact OG-O 3.16Å
168	R	91	Very high	89.1	Confident	120 Å²	120	52.4 Å²	52.4	45%	0.453	27%	0.269	S	S	.	.	H	α-helix	trans	-56.8	-45.6	179.6	-171.5	-169	72.3	77.3	1.6	110.5	V164 E165 L170 L172	V164-R168 WeakPolarHBondContact O-CB 3.22Å; V164-R168 PolarHBondContact O-N 3.2Å; E165-R168 WeakPolarHBondContact O-CB 3.35Å; E165-R168 PolarHBondContact O-N 3.11Å; E165-R168 IonicContact OE1-CZ 3.91Å; E165-R168 IonicContact OE1-NE 2.7Å; E165-R168 IonicContact OE1-NH2 2.72Å; E165-R168 PolarHBondContact OE1-NH2 3.25Å; E165-R168 IonicContact OE2-CZ 3.68Å; E165-R168 IonicContact OE2-NE 3.64Å; E165-R168 PolarHBondContact OE2-NE 2.9Å; E165-R168 IonicContact OE2-NH2 3.42Å; R168-L170 PolarHBondContact O-N 3.21Å; R168-L172 VanDerWaalsContact O-CB 3.29Å; R168-L172 WeakPolarHBondContact O-CB 3.48Å; R168-L172 PolarHBondContact O-N 3.17Å
169	Q	88.3	Confident	89.5	Confident	28 Å²	28	54.2 Å²	54.2	13%	0.131	28%	0.281	C	S	.	.	H	α-helix	trans	-61.3	-42.6	178.9	-71.1	175.7	8.5	0	0	112.9	E165 S166 S167 L172 N670 Y676	E165-Q169 WeakPolarHBondContact O-CG 3.03Å; E165-Q169 PolarHBondContact O-N 3.3Å; E165-Q169 PolarHBondContact OE1-NE2 3.34Å; S166-Q169 PolarHBondContact O-N 3.27Å; S167-Q169 VanDerWaalsContact C-N 3.29Å; S167-Q169 PolarHBondContact O-N 2.86Å; Q169-L172 WeakPolarHBondContact O-CB 2.96Å; Q169-N670 PolarHBondContact NE2-O 2.86Å; Q169-N670 VanDerWaalsContact NE2-O 3.1Å; Q169-N670 PolarHBondContact OE1-O 3.04Å; Q169-Y676 PolarHBondContact NE2-OH 3Å
170	L	91.3	Very high	89.9	Confident	0 Å²	0	49.6 Å²	49.6	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-71.7	-45.5	179.6	-66.6	174.1	0	0	0	111.9	S166 S167 R168 L172 W173 A174 V680 L803 L811 S815 Q818	S166-L170 WeakPolarHBondContact O-CG 3.26Å; S166-L170 PolarHBondContact O-N 3.47Å; S167-L170 PolarHBondContact O-N 2.91Å; R168-L170 PolarHBondContact O-N 3.21Å; L170-L172 VanDerWaalsContact C-N 3.25Å; L170-L172 PolarHBondContact O-N 3.23Å; L170-W173 PolarHBondContact O-N 2.03Å; L170-A174 VanDerWaalsContact O-CB 3.24Å; L170-A174 WeakPolarHBondContact O-CB 3.31Å; L170-A174 PolarHBondContact O-N 3.25Å; L170-V680 HydrophobicContact CD1-CG2 3.94Å; L170-L803 HydrophobicContact CB-CD1 3.86Å; L170-L803 HydrophobicContact CD1-CD1 3.65Å; L170-L803 HydrophobicContact CG-CD1 4.43Å; L170-L811 HydrophobicContact CD1-CD2 4.4Å; L170-S815 WeakPolarHBondContact CD2-OG 3.36Å; L170-Q818 VanDerWaalsContact CD2-OE1 3.24Å; L170-Q818 PolarHBondContact O-NE2 3.36Å
171	L	91.8	Very high	90.3	Very high	53 Å²	53	47.1 Å²	47.1	28%	0.277	25%	0.249	S	C	.	.	H	α-helix	trans	-72.7	-18	-178.9	-69	173.6	0	0	0	113.4	S167 W173 T176 L803	S167-L171 WeakPolarHBondContact O-CB 3.31Å; S167-L171 WeakPolarHBondContact O-CG 3.15Å; S167-L171 PolarHBondContact O-N 3.35Å; S167-L171 WeakPolarHBondContact OG-CD1 3.4Å; L171-W173 PolarHBondContact O-N 2.88Å; L171-T176 HydrophobicContact CD2-CG2 3.85Å; L171-L803 HydrophobicContact CD1-CG 4.47Å; L171-L803 HydrophobicContact CD2-CD1 4.5Å; L171-L803 HydrophobicContact CD2-CD2 3.64Å; L171-L803 HydrophobicContact CD2-CG 3.93Å; L171-L803 HydrophobicContact CG-CD1 4.38Å; L171-L803 HydrophobicContact CG-CD2 4.37Å; L171-L803 HydrophobicContact CG-CG 4.14Å
172	L	89.5	Confident	90.4	Very high	41 Å²	41	46.7 Å²	46.7	22%	0.215	25%	0.249	C	C	.	.	H	α-helix	trans	-53	-44.8	171.8	-168.7	73.7	0	0	0	110.3	R168 Q169 L170 N191 D195	R168-L172 VanDerWaalsContact O-CB 3.29Å; R168-L172 WeakPolarHBondContact O-CB 3.48Å; R168-L172 PolarHBondContact O-N 3.17Å; Q169-L172 WeakPolarHBondContact O-CB 2.96Å; L170-L172 VanDerWaalsContact C-N 3.25Å; L170-L172 PolarHBondContact O-N 3.23Å; L172-N191 WeakPolarHBondContact O-CB 3.32Å; L172-D195 WeakPolarHBondContact CD1-OD2 3.4Å; L172-D195 WeakPolarHBondContact CG-OD2 3.35Å; L172-D195 VanDerWaalsContact O-OD2 3.12Å
173	W	91.2	Very high	90.8	Very high	13 Å²	13	48.6 Å²	48.6	5%	0.049	26%	0.258	C	S	.	.	H	α-helix	trans	-108.4	-28	-175.2	-55.9	-26.4	0	0	0	114.4	L170 L171 A188 C189 G190 N191 F192 Y211 Y214 Q818	L170-W173 PolarHBondContact O-N 2.03Å; L171-W173 PolarHBondContact O-N 2.88Å; W173-A188 CarbonylContact C-O 3.29Å; W173-C189 CarbonylContact O-C 3.54Å; W173-C189 VanDerWaalsContact O-C 3.23Å; W173-C189 WeakPolarHBondContact O-CA 3.01Å; W173-G190 PolarHBondContact O-N 2.92Å; W173-N191 PolarHBondContact O-N 3.24Å; W173-F192 HydrophobicContact CB-CB 4.25Å; W173-F192 HydrophobicContact CB-CD2 4.43Å; W173-F192 AromaticContact CD1-CD2 3.87Å; W173-F192 AromaticContact CD2-CD2 3.64Å; W173-F192 HydrophobicContact CD2-CD2 3.64Å; W173-F192 HydrophobicContact CD2-CE2 4.19Å; W173-F192 AromaticContact CE2-CD2 3.69Å; W173-F192 AromaticContact CE2-CE2 3.91Å; W173-F192 HydrophobicContact CE3-CD2 4.18Å; W173-F192 HydrophobicContact CG-CB 4.31Å; W173-F192 AromaticContact CG-CD2 3.76Å; W173-F192 HydrophobicContact CG-CD2 3.76Å; W173-F192 HydrophobicContact CH2-CE2 4.36Å; W173-F192 HydrophobicContact CZ2-CD2 4.25Å; W173-F192 HydrophobicContact CZ2-CE2 4Å; W173-F192 AromaticContact NE1-CD2 3.8Å; W173-Y211 HydrophobicContact CE3-CD2 4.42Å; W173-Y211 AromaticContact CH2-CD2 3.27Å; W173-Y211 HydrophobicContact CH2-CD2 3.27Å; W173-Y211 AromaticContact CH2-CE2 3.41Å; W173-Y211 HydrophobicContact CH2-CE2 3.41Å; W173-Y211 VanDerWaalsContact CH2-CE2 3.41Å; W173-Y211 HydrophobicContact CH2-CG 4.48Å; W173-Y211 AromaticContact CZ3-CD2 3.16Å; W173-Y211 HydrophobicContact CZ3-CD2 3.16Å; W173-Y211 AromaticContact CZ3-CE2 3.28Å; W173-Y211 HydrophobicContact CZ3-CE2 3.28Å; W173-Y211 HydrophobicContact CZ3-CG 4.48Å; W173-Y214 HydrophobicContact CH2-CD1 4.09Å; W173-Y214 HydrophobicContact CH2-CE1 4.45Å; W173-Y214 AromaticContact CZ2-CD1 3.81Å; W173-Y214 HydrophobicContact CZ2-CD1 3.81Å; W173-Y214 HydrophobicContact CZ2-CD2 4.35Å; W173-Y214 AromaticContact CZ2-CE1 3.98Å; W173-Y214 HydrophobicContact CZ2-CE1 3.98Å; W173-Y214 HydrophobicContact CZ2-CG 4.02Å; W173-Q818 HydrophobicContact CE3-CB 4.22Å; W173-Q818 HydrophobicContact CE3-CG 4.37Å
174	A	92.6	Very high	91.3	Very high	3 Å²	3	49.3 Å²	49.3	3%	0.025	26%	0.262	C	S	.	.			trans	-70.7	136.6	-179.8	0	0	0	0	0	111.9	L170 T176 W187 A188 N191 L814	L170-A174 VanDerWaalsContact O-CB 3.24Å; L170-A174 WeakPolarHBondContact O-CB 3.31Å; L170-A174 PolarHBondContact O-N 3.25Å; A174-T176 HydrophobicContact CB-CG2 4.37Å; A174-W187 WeakPolarHBondContact CA-O 3.34Å; A174-A188 WeakPolarHBondContact CA-O 3.09Å; A174-A188 PolarHBondContact N-O 3.11Å; A174-N191 PolarHBondContact O-ND2 3.4Å; A174-N191 VanDerWaalsContact O-ND2 3.14Å; A174-L814 HydrophobicContact CB-CD1 3.94Å; A174-L814 HydrophobicContact CB-CD2 4.2Å
175	N	93.6	Very high	91.4	Very high	37 Å²	37	49.1 Å²	49.1	20%	0.198	26%	0.255	C	S	.	.			trans	-107.3	87.6	165.2	-170.6	-11.3	0	0	0	109.8	S177 K178 E186 W187	N175-S177 PolarHBondContact O-N 3.44Å; N175-S177 PolarHBondContact OD1-N 3.46Å; N175-S177 PolarHBondContact OD1-OG 3.44Å; N175-K178 HydrophobicContact CB-CG 4.15Å; N175-K178 WeakPolarHBondContact O-CB 3.48Å; N175-K178 PolarHBondContact O-N 3.04Å; N175-E186 VanDerWaalsContact CB-O 3.24Å; N175-E186 WeakPolarHBondContact CB-O 3.47Å; N175-W187 PolarHBondContact N-O 3.43Å
176	T	89.8	Confident	91.7	Very high	67 Å²	67	50.9 Å²	50.9	41%	0.411	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67	-6.6	-175.8	59.6	0	0	0	0	114.5	L171 A174 K178 L803 F806	L171-T176 HydrophobicContact CD2-CG2 3.85Å; A174-T176 HydrophobicContact CB-CG2 4.37Å; T176-K178 VanDerWaalsContact C-N 3.31Å; T176-L803 HydrophobicContact CG2-CD2 3.84Å; T176-F806 HydrophobicContact CG2-CE2 4.21Å; T176-F806 HydrophobicContact CG2-CZ 3.97Å
177	S	91.1	Very high	92	Very high	98 Å²	98	51.1 Å²	51.1	69%	0.685	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.1	-16.2	172.6	74.1	0	0	0	0	113.5	N175	N175-S177 PolarHBondContact O-N 3.44Å; N175-S177 PolarHBondContact OD1-N 3.46Å; N175-S177 PolarHBondContact OD1-OG 3.44Å
178	K	94.4	Very high	92.2	Very high	67 Å²	67	50.8 Å²	50.8	29%	0.291	26%	0.261	S	S	.	.	S	Bend	trans	-89.8	154.7	-177.4	-63.8	-64.3	-162.5	158.4	0	111.9	N175 T176 E183 E186 W187	N175-K178 HydrophobicContact CB-CG 4.15Å; N175-K178 WeakPolarHBondContact O-CB 3.48Å; N175-K178 PolarHBondContact O-N 3.04Å; T176-K178 VanDerWaalsContact C-N 3.31Å; K178-E183 HydrophobicContact CB-CB 4.41Å; K178-E183 IonicContact NZ-OE1 3.59Å; K178-E183 PolarHBondContact NZ-OE1 3.39Å; K178-E183 IonicContact NZ-OE2 3.74Å; K178-E186 HydrophobicContact CB-CB 4.31Å; K178-E186 HydrophobicContact CG-CB 4Å; K178-W187 HydrophobicContact CB-CB 4.17Å
179	S	92.6	Very high	92.3	Very high	41 Å²	41	45.1 Å²	45.1	29%	0.287	24%	0.24	S	C	.	.			trans	-76.9	124.1	-179.9	177.4	0	0	0	0	110.8	C181 E183	S179-C181 PolarHBondContact O-N 3.33Å; S179-C181 PolarHBondContact OG-N 2.83Å; S179-E183 CarbonylContact O-C 3.51Å; S179-E183 VanDerWaalsContact O-C 3.29Å; S179-E183 WeakPolarHBondContact O-CA 3.49Å; S179-E183 PolarHBondContact O-N 3.07Å
180	P	93	Very high	92.5	Very high	29 Å²	29	44.6 Å²	44.6	19%	0.188	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64	-18.9	175	26	-34.3	0	0	0	113	T184 W187 W851 T861	P180-T184 WeakPolarHBondContact O-CG2 3.38Å; P180-W187 HydrophobicContact CB-CD2 3.74Å; P180-W187 HydrophobicContact CB-CE3 4.14Å; P180-W187 HydrophobicContact CB-CG 3.99Å; P180-W187 HydrophobicContact CB-CZ2 4.18Å; P180-W851 VanDerWaalsContact O-CZ2 3.31Å; P180-W851 WeakPolarHBondContact O-CZ2 3.43Å; P180-T861 HydrophobicContact CB-CG2 4.23Å
181	C	91.6	Very high	92.5	Very high	49 Å²	49	47.1 Å²	47.1	33%	0.331	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.9	-30	-176.5	-51.2	0	0	0	0	113.9	S179 C863	S179-C181 PolarHBondContact O-N 3.33Å; S179-C181 PolarHBondContact OG-N 2.83Å; C181-C863 WeakPolarHBondContact CA-SG 3.26Å; C181-C863 HydrophobicContact CB-CB 3.76Å; C181-C863 WeakPolarHBondContact CB-SG 3.38Å; C181-C863 WeakPolarHBondContact SG-CA 3.32Å; C181-C863 WeakPolarHBondContact SG-CB 3.34Å; C181-C863 CovalentContact SG-SG 2.03Å; C181-C863 PolarHBondContact SG-SG 3.43Å
182	H	91.1	Very high	92.3	Very high	163 Å²	163	44.7 Å²	44.7	76%	0.755	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-108.4	-32.5	-174.6	-62.9	-57.1	0	0	0	112.9
183	E	93	Very high	91.9	Very high	82 Å²	82	45.1 Å²	45.1	38%	0.383	25%	0.252	S	S	.	.	S	Bend	trans	-126.2	53.7	-178	-65.6	177.3	88.3	0	0	108.7	K178 S179 Y185 E186 W187	K178-E183 HydrophobicContact CB-CB 4.41Å; K178-E183 IonicContact NZ-OE1 3.59Å; K178-E183 PolarHBondContact NZ-OE1 3.39Å; K178-E183 IonicContact NZ-OE2 3.74Å; S179-E183 CarbonylContact O-C 3.51Å; S179-E183 VanDerWaalsContact O-C 3.29Å; S179-E183 WeakPolarHBondContact O-CA 3.49Å; S179-E183 PolarHBondContact O-N 3.07Å; E183-Y185 VanDerWaalsContact C-N 3.34Å; E183-Y185 PolarHBondContact O-N 3.21Å; E183-E186 HydrophobicContact CB-CB 4.12Å; E183-E186 PolarHBondContact O-N 2.9Å; E183-W187 WeakPolarHBondContact O-CB 3.47Å; E183-W187 PolarHBondContact O-N 3.5Å
184	T	93.4	Very high	91.4	Very high	25 Å²	25	47.1 Å²	47.1	15%	0.153	27%	0.268	C	S	.	.	H	α-helix	trans	-51.4	-49.1	-173.7	50.8	0	0	0	0	112.8	P180 W187 A188 W851	P180-T184 WeakPolarHBondContact O-CG2 3.38Å; T184-W187 PolarHBondContact O-N 3.04Å; T184-A188 PolarHBondContact O-N 3.15Å; T184-A188 VanDerWaalsContact O-N 3.12Å; T184-W851 HydrophobicContact CG2-CD2 3.91Å; T184-W851 VanDerWaalsContact CG2-CE2 3.4Å; T184-W851 HydrophobicContact CG2-CG 4.29Å; T184-W851 HydrophobicContact CG2-CH2 4.29Å; T184-W851 HydrophobicContact CG2-CZ2 3.63Å
185	Y	93.2	Very high	90.5	Very high	63 Å²	63	48.9 Å²	48.9	25%	0.247	28%	0.277	C	S	.	.	H	α-helix	trans	-64.4	-47.7	179.8	-170.1	-93.8	0	0	0	111.7	E183 W187 A188 C189 S822 F847	E183-Y185 VanDerWaalsContact C-N 3.34Å; E183-Y185 PolarHBondContact O-N 3.21Å; Y185-W187 VanDerWaalsContact C-N 3.29Å; Y185-W187 PolarHBondContact O-N 3.5Å; Y185-A188 PolarHBondContact O-N 3.03Å; Y185-C189 HydrophobicContact CD1-CB 4.21Å; Y185-C189 HydrophobicContact CD2-CB 4.35Å; Y185-C189 HydrophobicContact CE1-CB 3.8Å; Y185-C189 HydrophobicContact CE2-CB 3.94Å; Y185-C189 HydrophobicContact CG-CB 4.46Å; Y185-C189 WeakPolarHBondContact O-CA 3.13Å; Y185-C189 WeakPolarHBondContact O-CB 3.39Å; Y185-C189 PolarHBondContact O-N 3.27Å; Y185-S822 PolarHBondContact OH-N 3.13Å; Y185-S822 PolarHBondContact OH-O 3.22Å; Y185-F847 VanDerWaalsContact CA-CZ 3.47Å; Y185-F847 AromaticContact CD2-CD1 3.93Å; Y185-F847 HydrophobicContact CD2-CD1 3.93Å; Y185-F847 AromaticContact CD2-CD2 3.79Å; Y185-F847 HydrophobicContact CD2-CD2 3.79Å; Y185-F847 AromaticContact CD2-CE1 3.93Å; Y185-F847 HydrophobicContact CD2-CE1 3.93Å; Y185-F847 AromaticContact CD2-CE2 3.79Å; Y185-F847 HydrophobicContact CD2-CE2 3.79Å; Y185-F847 AromaticContact CD2-CG 3.89Å; Y185-F847 HydrophobicContact CD2-CG 3.89Å; Y185-F847 AromaticContact CD2-CZ 3.89Å; Y185-F847 HydrophobicContact CD2-CZ 3.89Å; Y185-F847 HydrophobicContact CE2-CD2 4.07Å; Y185-F847 HydrophobicContact CE2-CE2 4.3Å; Y185-F847 HydrophobicContact CE2-CG 4.36Å; Y185-F847 HydrophobicContact CG-CE1 4.47Å; Y185-F847 HydrophobicContact CG-CZ 4.44Å
186	E	93.9	Very high	89.4	Confident	80 Å²	80	48 Å²	48	37%	0.374	27%	0.271	S	S	.	.	H	α-helix	trans	-62.7	-37.5	177.4	-65.8	-63.3	147	0	0	111.8	N175 K178 E183 G190	N175-E186 VanDerWaalsContact CB-O 3.24Å; N175-E186 WeakPolarHBondContact CB-O 3.47Å; K178-E186 HydrophobicContact CB-CB 4.31Å; K178-E186 HydrophobicContact CG-CB 4Å; E183-E186 HydrophobicContact CB-CB 4.12Å; E183-E186 PolarHBondContact O-N 2.9Å; E186-G190 WeakPolarHBondContact O-CA 3.49Å; E186-G190 PolarHBondContact O-N 3.29Å; E186-G190 WeakPolarHBondContact OE2-CA 3.21Å
187	W	94.6	Very high	88.3	Confident	7 Å²	7	47.6 Å²	47.6	3%	0.027	28%	0.275	C	S	.	.	H	α-helix	trans	-61.5	-45.6	176.1	167.5	79.8	0	0	0	112.6	A174 N175 K178 P180 E183 T184 Y185 F806 T813 L814 W851 T861	A174-W187 WeakPolarHBondContact CA-O 3.34Å; N175-W187 PolarHBondContact N-O 3.43Å; K178-W187 HydrophobicContact CB-CB 4.17Å; P180-W187 HydrophobicContact CB-CD2 3.74Å; P180-W187 HydrophobicContact CB-CE3 4.14Å; P180-W187 HydrophobicContact CB-CG 3.99Å; P180-W187 HydrophobicContact CB-CZ2 4.18Å; E183-W187 WeakPolarHBondContact O-CB 3.47Å; E183-W187 PolarHBondContact O-N 3.5Å; T184-W187 PolarHBondContact O-N 3.04Å; Y185-W187 VanDerWaalsContact C-N 3.29Å; Y185-W187 PolarHBondContact O-N 3.5Å; W187-F806 AromaticContact CZ2-CE1 3.88Å; W187-F806 HydrophobicContact CZ2-CE1 3.88Å; W187-T813 HydrophobicContact CH2-CG2 4.13Å; W187-T813 HydrophobicContact CZ3-CG2 4.37Å; W187-L814 HydrophobicContact CD2-CD1 4.26Å; W187-L814 HydrophobicContact CE3-CD1 4.24Å; W187-L814 HydrophobicContact CH2-CB 3.73Å; W187-L814 HydrophobicContact CH2-CD1 3.91Å; W187-L814 HydrophobicContact CH2-CG 4.43Å; W187-L814 HydrophobicContact CZ2-CB 3.99Å; W187-L814 HydrophobicContact CZ2-CD1 3.92Å; W187-L814 HydrophobicContact CZ2-CG 4.46Å; W187-L814 HydrophobicContact CZ3-CB 4.47Å; W187-L814 HydrophobicContact CZ3-CD1 4.06Å; W187-W851 HydrophobicContact CZ3-CZ3 4.45Å; W187-T861 HydrophobicContact CH2-CG2 4Å; W187-T861 HydrophobicContact CZ2-CG2 4.19Å
188	A	94.8	Very high	87.1	Confident	0 Å²	0	49 Å²	49	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-83.1	-38	-178.4	0	0	0	0	0	113.8	W173 A174 T184 Y185 L814 M817 Q818 F847	W173-A188 CarbonylContact C-O 3.29Å; A174-A188 WeakPolarHBondContact CA-O 3.09Å; A174-A188 PolarHBondContact N-O 3.11Å; T184-A188 PolarHBondContact O-N 3.15Å; T184-A188 VanDerWaalsContact O-N 3.12Å; Y185-A188 PolarHBondContact O-N 3.03Å; A188-L814 HydrophobicContact CB-CD1 4.18Å; A188-M817 HydrophobicContact CB-CB 3.97Å; A188-Q818 HydrophobicContact CB-CG 4.44Å; A188-Q818 VanDerWaalsContact O-CG 3.24Å; A188-Q818 WeakPolarHBondContact O-CG 3.17Å; A188-Q818 PolarHBondContact O-NE2 3.35Å; A188-F847 HydrophobicContact CB-CE2 4.07Å; A188-F847 HydrophobicContact CB-CZ 4.16Å
189	C	94.1	Very high	85.8	Confident	1 Å²	1	48.4 Å²	48.4	1%	0.007	27%	0.273	C	S	.	.	H	α-helix	trans	-128.5	5.9	-164.7	-56.5	0	0	0	0	114.1	W173 Y185 N191 F192 C821	W173-C189 CarbonylContact O-C 3.54Å; W173-C189 VanDerWaalsContact O-C 3.23Å; W173-C189 WeakPolarHBondContact O-CA 3.01Å; Y185-C189 HydrophobicContact CD1-CB 4.21Å; Y185-C189 HydrophobicContact CD2-CB 4.35Å; Y185-C189 HydrophobicContact CE1-CB 3.8Å; Y185-C189 HydrophobicContact CE2-CB 3.94Å; Y185-C189 HydrophobicContact CG-CB 4.46Å; Y185-C189 WeakPolarHBondContact O-CA 3.13Å; Y185-C189 WeakPolarHBondContact O-CB 3.39Å; Y185-C189 PolarHBondContact O-N 3.27Å; C189-N191 PolarHBondContact O-N 3.33Å; C189-N191 VanDerWaalsContact O-N 3.09Å; C189-F192 HydrophobicContact CB-CB 4.14Å; C189-F192 WeakPolarHBondContact O-CA 3.08Å; C189-F192 WeakPolarHBondContact O-CB 3.43Å; C189-F192 PolarHBondContact O-N 2.91Å; C189-C821 VanDerWaalsContact CA-SG 3.54Å; C189-C821 HydrophobicContact CB-CB 3.8Å; C189-C821 WeakPolarHBondContact CB-SG 3.24Å; C189-C821 WeakPolarHBondContact SG-CA 3.48Å; C189-C821 WeakPolarHBondContact SG-CB 3.42Å; C189-C821 CovalentContact SG-SG 2.03Å; C189-C821 PolarHBondContact SG-SG 2.83Å
190	G	91.9	Very high	84.5	Confident	18 Å²	18	53.9 Å²	53.9	19%	0.186	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-26.4	-170.8	0	0	0	0	0	115	W173 E186	W173-G190 PolarHBondContact O-N 2.92Å; E186-G190 WeakPolarHBondContact O-CA 3.49Å; E186-G190 PolarHBondContact O-N 3.29Å; E186-G190 WeakPolarHBondContact OE2-CA 3.21Å
191	N	90.9	Very high	83.2	Confident	53 Å²	53	55.3 Å²	55.3	28%	0.283	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.7	-7.5	174.2	-61.2	-21.6	0	0	0	112.8	L172 W173 A174 C189 A193 S194 D195	L172-N191 WeakPolarHBondContact O-CB 3.32Å; W173-N191 PolarHBondContact O-N 3.24Å; A174-N191 PolarHBondContact O-ND2 3.4Å; A174-N191 VanDerWaalsContact O-ND2 3.14Å; C189-N191 PolarHBondContact O-N 3.33Å; C189-N191 VanDerWaalsContact O-N 3.09Å; N191-A193 VanDerWaalsContact C-N 3.33Å; N191-A193 PolarHBondContact O-N 2.87Å; N191-S194 PolarHBondContact O-N 3.23Å; N191-S194 PolarHBondContact O-OG 3.31Å; N191-D195 WeakPolarHBondContact O-CB 3.41Å; N191-D195 PolarHBondContact O-N 2.88Å
192	F	88.3	Confident	81.9	Confident	2 Å²	2	56.3 Å²	56.3	1%	0.009	30%	0.295	C	S	.	.	H	α-helix	trans	-58	-46.2	-179	-175.7	-99.2	0	0	0	111	W173 C189 Y196 W209 C821 T823	W173-F192 HydrophobicContact CB-CB 4.25Å; W173-F192 HydrophobicContact CB-CD2 4.43Å; W173-F192 AromaticContact CD1-CD2 3.87Å; W173-F192 AromaticContact CD2-CD2 3.64Å; W173-F192 HydrophobicContact CD2-CD2 3.64Å; W173-F192 HydrophobicContact CD2-CE2 4.19Å; W173-F192 AromaticContact CE2-CD2 3.69Å; W173-F192 AromaticContact CE2-CE2 3.91Å; W173-F192 HydrophobicContact CE3-CD2 4.18Å; W173-F192 HydrophobicContact CG-CB 4.31Å; W173-F192 AromaticContact CG-CD2 3.76Å; W173-F192 HydrophobicContact CG-CD2 3.76Å; W173-F192 HydrophobicContact CH2-CE2 4.36Å; W173-F192 HydrophobicContact CZ2-CD2 4.25Å; W173-F192 HydrophobicContact CZ2-CE2 4Å; W173-F192 AromaticContact NE1-CD2 3.8Å; C189-F192 HydrophobicContact CB-CB 4.14Å; C189-F192 WeakPolarHBondContact O-CA 3.08Å; C189-F192 WeakPolarHBondContact O-CB 3.43Å; C189-F192 PolarHBondContact O-N 2.91Å; F192-Y196 WeakPolarHBondContact O-CB 3.38Å; F192-Y196 PolarHBondContact O-N 2.74Å; F192-W209 AromaticContact CE1-CD1 3.89Å; F192-W209 WeakPolarHBondContact CE1-O 3.43Å; F192-W209 AromaticContact CZ-CD1 3.55Å; F192-W209 AromaticContact CZ-NE1 4Å; F192-C821 HydrophobicContact CB-CB 4.19Å; F192-C821 HydrophobicContact CD1-CB 4.02Å; F192-C821 HydrophobicContact CD2-CB 3.6Å; F192-C821 HydrophobicContact CE1-CB 4.3Å; F192-C821 HydrophobicContact CE2-CB 3.89Å; F192-C821 HydrophobicContact CG-CB 3.67Å; F192-C821 HydrophobicContact CZ-CB 4.22Å; F192-T823 HydrophobicContact CD1-CG2 3.77Å; F192-T823 HydrophobicContact CE1-CG2 4.02Å
193	A	81.6	Confident	80.6	Confident	49 Å²	49	50.1 Å²	50.1	41%	0.405	27%	0.268	S	S	.	.	H	α-helix	trans	-66.9	-38.1	-178.9	0	0	0	0	0	113.4	N191 Y196 A197 T823	N191-A193 VanDerWaalsContact C-N 3.33Å; N191-A193 PolarHBondContact O-N 2.87Å; A193-Y196 WeakPolarHBondContact O-CB 3.4Å; A193-A197 WeakPolarHBondContact O-CB 3.39Å; A193-A197 PolarHBondContact O-N 2.88Å; A193-T823 HydrophobicContact CB-CG2 3.64Å
194	S	80.4	Confident	79.3	Confident	55 Å²	55	46.8 Å²	46.8	39%	0.385	25%	0.253	S	S	.	.	H	α-helix	trans	-71.1	-43.7	177.2	54.2	0	0	0	0	111.5	N191 Y196 A197 N198	N191-S194 PolarHBondContact O-N 3.23Å; N191-S194 PolarHBondContact O-OG 3.31Å; S194-Y196 VanDerWaalsContact C-N 3.29Å; S194-Y196 PolarHBondContact O-N 2.94Å; S194-A197 PolarHBondContact O-N 3.4Å; S194-N198 VanDerWaalsContact O-CG 3.22Å; S194-N198 PolarHBondContact O-N 3.4Å; S194-N198 VanDerWaalsContact O-N 3.17Å; S194-N198 PolarHBondContact O-ND2 2.64Å; S194-N198 VanDerWaalsContact O-ND2 3.09Å
195	D	74.3	Confident	78.4	Confident	40 Å²	40	45.9 Å²	45.9	21%	0.214	25%	0.247	C	C	.	.	H	α-helix	trans	-65.3	-39.6	176.8	-80.9	14.9	0	0	0	110.3	L172 N191 N198 H199	L172-D195 WeakPolarHBondContact CD1-OD2 3.4Å; L172-D195 WeakPolarHBondContact CG-OD2 3.35Å; L172-D195 VanDerWaalsContact O-OD2 3.12Å; N191-D195 WeakPolarHBondContact O-CB 3.41Å; N191-D195 PolarHBondContact O-N 2.88Å; D195-N198 PolarHBondContact O-N 3.37Å; D195-H199 PolarHBondContact O-N 2.79Å; D195-H199 PolarHBondContact O-ND1 2.66Å
196	Y	69.8	Low	77.6	Confident	18 Å²	18	47.9 Å²	47.9	7%	0.071	25%	0.254	C	S	.	.	H	α-helix	trans	-57.9	-51.3	170.7	167.2	-107.6	0	0	0	113	F192 A193 S194 N198 H199 F202 W209 T823 I825	F192-Y196 WeakPolarHBondContact O-CB 3.38Å; F192-Y196 PolarHBondContact O-N 2.74Å; A193-Y196 WeakPolarHBondContact O-CB 3.4Å; S194-Y196 VanDerWaalsContact C-N 3.29Å; S194-Y196 PolarHBondContact O-N 2.94Å; Y196-N198 PolarHBondContact O-N 3.31Å; Y196-N198 VanDerWaalsContact O-N 3.15Å; Y196-H199 WeakPolarHBondContact O-CB 3.42Å; Y196-H199 PolarHBondContact O-N 2.98Å; Y196-F202 HydrophobicContact CD1-CB 4.45Å; Y196-F202 HydrophobicContact CD2-CB 3.88Å; Y196-F202 HydrophobicContact CE1-CB 3.95Å; Y196-F202 AromaticContact CE1-CD2 3.85Å; Y196-F202 HydrophobicContact CE1-CD2 3.85Å; Y196-F202 HydrophobicContact CE1-CG 4.23Å; Y196-F202 HydrophobicContact CE2-CB 3.3Å; Y196-F202 HydrophobicContact CE2-CG 4.37Å; Y196-F202 HydrophobicContact CG-CB 4.44Å; Y196-F202 AromaticContact CZ-CD2 3.72Å; Y196-F202 AromaticContact CZ-CG 3.98Å; Y196-F202 WeakPolarHBondContact OH-CD2 3.44Å; Y196-F202 PolarHBondContact OH-O 2.9Å; Y196-W209 HydrophobicContact CD2-CB 3.66Å; Y196-W209 AromaticContact CD2-CD1 3.11Å; Y196-W209 AromaticContact CD2-CD2 3.65Å; Y196-W209 HydrophobicContact CD2-CD2 3.65Å; Y196-W209 AromaticContact CD2-CE2 3.88Å; Y196-W209 HydrophobicContact CD2-CE3 4.46Å; Y196-W209 AromaticContact CD2-CG 3.19Å; Y196-W209 HydrophobicContact CD2-CG 3.19Å; Y196-W209 AromaticContact CD2-NE1 3.54Å; Y196-W209 HydrophobicContact CE2-CB 3.03Å; Y196-W209 AromaticContact CE2-CD1 3.49Å; Y196-W209 VanDerWaalsContact CE2-CD1 3.49Å; Y196-W209 AromaticContact CE2-CD2 3.44Å; Y196-W209 HydrophobicContact CE2-CD2 3.44Å; Y196-W209 VanDerWaalsContact CE2-CD2 3.44Å; Y196-W209 AromaticContact CE2-CE3 3.93Å; Y196-W209 HydrophobicContact CE2-CE3 3.93Å; Y196-W209 AromaticContact CE2-CG 3Å; Y196-W209 HydrophobicContact CE2-CG 3Å; Y196-W209 HydrophobicContact CG-CG 4.34Å; Y196-T823 HydrophobicContact CD1-CG2 3.98Å; Y196-T823 WeakPolarHBondContact CD1-OG1 3.43Å; Y196-T823 HydrophobicContact CE1-CG2 4.5Å; Y196-T823 WeakPolarHBondContact CE1-OG1 3.17Å; Y196-T823 HydrophobicContact CG-CG2 4.38Å; Y196-I825 WeakPolarHBondContact OH-CG1 3.18Å
197	A	65.9	Low	76.8	Confident	59 Å²	59	44.2 Å²	44.2	49%	0.488	24%	0.238	S	C	.	.	H	α-helix	trans	-60.9	-26.8	-179	0	0	0	0	0	112.7	A193 S194 H199	A193-A197 WeakPolarHBondContact O-CB 3.39Å; A193-A197 PolarHBondContact O-N 2.88Å; S194-A197 PolarHBondContact O-N 3.4Å; A197-H199 VanDerWaalsContact C-N 3.33Å
198	N	66.6	Low	76.3	Confident	128 Å²	128	44.3 Å²	44.3	68%	0.684	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.8	-15	175.6	-66.6	-30	0	0	0	113.5	S194 D195 Y196	S194-N198 VanDerWaalsContact O-CG 3.22Å; S194-N198 PolarHBondContact O-N 3.4Å; S194-N198 VanDerWaalsContact O-N 3.17Å; S194-N198 PolarHBondContact O-ND2 2.64Å; S194-N198 VanDerWaalsContact O-ND2 3.09Å; D195-N198 PolarHBondContact O-N 3.37Å; Y196-N198 PolarHBondContact O-N 3.31Å; Y196-N198 VanDerWaalsContact O-N 3.15Å
199	H	67.3	Low	75.7	Confident	55 Å²	55	44.5 Å²	44.5	26%	0.255	24%	0.239	S	C	.	.	S	Bend	trans	-83.6	119.2	175.2	-74.6	74.2	0	0	0	110	D195 Y196 A197 Y201 F202	D195-H199 PolarHBondContact O-N 2.79Å; D195-H199 PolarHBondContact O-ND1 2.66Å; Y196-H199 WeakPolarHBondContact O-CB 3.42Å; Y196-H199 PolarHBondContact O-N 2.98Å; A197-H199 VanDerWaalsContact C-N 3.33Å; H199-Y201 PolarHBondContact O-N 3.12Å; H199-F202 WeakPolarHBondContact O-CB 3.49Å; H199-F202 WeakPolarHBondContact O-CD1 3.4Å; H199-F202 PolarHBondContact O-N 2.86Å; H199-F202 VanDerWaalsContact O-N 3.16Å
200	E	65.2	Low	75.4	Confident	156 Å²	156	44.8 Å²	44.8	73%	0.729	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.7	-15.1	-179.9	-63.2	-177.6	157.5	0	0	114.5
201	Y	65.6	Low	75.1	Confident	59 Å²	59	44.9 Å²	44.9	23%	0.231	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.7	10.5	-175.4	-54.8	-85.8	0	0	0	113.7	H199 V203 I204 Y217 P494 W496	H199-Y201 PolarHBondContact O-N 3.12Å; Y201-V203 PolarHBondContact O-N 2.99Å; Y201-I204 HydrophobicContact CD1-CD1 3.56Å; Y201-I204 HydrophobicContact CG-CD1 4.17Å; Y201-I204 WeakPolarHBondContact O-CB 3.16Å; Y201-I204 WeakPolarHBondContact O-CG1 3.33Å; Y201-I204 PolarHBondContact O-N 3.37Å; Y201-Y217 HydrophobicContact CD1-CE2 4.18Å; Y201-Y217 AromaticContact CD2-CE2 3.81Å; Y201-Y217 HydrophobicContact CD2-CE2 3.81Å; Y201-Y217 AromaticContact CD2-CZ 3.75Å; Y201-Y217 VanDerWaalsContact CD2-OH 3.31Å; Y201-Y217 WeakPolarHBondContact CD2-OH 3.34Å; Y201-Y217 HydrophobicContact CE2-CE2 4.33Å; Y201-Y217 WeakPolarHBondContact CE2-OH 3.48Å; Y201-Y217 AromaticContact CG-CE2 3.74Å; Y201-Y217 HydrophobicContact CG-CE2 3.74Å; Y201-P494 HydrophobicContact CD1-CG 3.91Å; Y201-P494 HydrophobicContact CE1-CB 4.3Å; Y201-P494 HydrophobicContact CE1-CG 3.74Å; Y201-W496 HydrophobicContact CE1-CZ2 4.28Å
202	F	64.9	Low	74.8	Confident	70 Å²	70	48.2 Å²	48.2	31%	0.307	25%	0.249	S	C	.	.	G	3₁₀ helix	trans	-64.7	-39.3	-175.1	88.3	-103.7	0	0	0	113.4	Y196 H199 I204	Y196-F202 HydrophobicContact CD1-CB 4.45Å; Y196-F202 HydrophobicContact CD2-CB 3.88Å; Y196-F202 HydrophobicContact CE1-CB 3.95Å; Y196-F202 AromaticContact CE1-CD2 3.85Å; Y196-F202 HydrophobicContact CE1-CD2 3.85Å; Y196-F202 HydrophobicContact CE1-CG 4.23Å; Y196-F202 HydrophobicContact CE2-CB 3.3Å; Y196-F202 HydrophobicContact CE2-CG 4.37Å; Y196-F202 HydrophobicContact CG-CB 4.44Å; Y196-F202 AromaticContact CZ-CD2 3.72Å; Y196-F202 AromaticContact CZ-CG 3.98Å; Y196-F202 WeakPolarHBondContact OH-CD2 3.44Å; Y196-F202 PolarHBondContact OH-O 2.9Å; H199-F202 WeakPolarHBondContact O-CB 3.49Å; H199-F202 WeakPolarHBondContact O-CD1 3.4Å; H199-F202 PolarHBondContact O-N 2.86Å; H199-F202 VanDerWaalsContact O-N 3.16Å; F202-I204 PolarHBondContact O-N 3.15Å; F202-I204 VanDerWaalsContact O-N 3.1Å
203	V	63.2	Low	74.7	Confident	32 Å²	32	49 Å²	49	19%	0.194	26%	0.255	C	S	.	.	G	3₁₀ helix	trans	-70.8	-0.8	179.8	-75.1	0	0	0	0	114.2	Y201 R489 T490 A491	Y201-V203 PolarHBondContact O-N 2.99Å; V203-R489 WeakPolarHBondContact O-CG 3.5Å; V203-T490 WeakPolarHBondContact CB-OG1 3.33Å; V203-T490 WeakPolarHBondContact CG1-OG1 3.49Å; V203-A491 HydrophobicContact CB-CB 3.68Å; V203-A491 HydrophobicContact CG2-CB 3.33Å; V203-A491 PolarHBondContact O-N 3.2Å
204	I	65.8	Low	74.9	Confident	13 Å²	13	48.4 Å²	48.4	7%	0.067	24%	0.242	C	C	.	.	G	3₁₀ helix	trans	-102.8	-27.1	-162.9	-54.3	-171.3	0	0	0	112	Y201 F202 R489 A491 Y493	Y201-I204 HydrophobicContact CD1-CD1 3.56Å; Y201-I204 HydrophobicContact CG-CD1 4.17Å; Y201-I204 WeakPolarHBondContact O-CB 3.16Å; Y201-I204 WeakPolarHBondContact O-CG1 3.33Å; Y201-I204 PolarHBondContact O-N 3.37Å; F202-I204 PolarHBondContact O-N 3.15Å; F202-I204 VanDerWaalsContact O-N 3.1Å; I204-R489 VanDerWaalsContact O-CD 3.27Å; I204-R489 WeakPolarHBondContact O-CD 3.49Å; I204-R489 PolarHBondContact O-NE 3.31Å; I204-A491 HydrophobicContact CG1-CB 4.26Å; I204-Y493 VanDerWaalsContact CG2-CA 3.43Å; I204-Y493 HydrophobicContact CG2-CD1 3.2Å; I204-Y493 HydrophobicContact CG2-CD2 3.83Å; I204-Y493 HydrophobicContact CG2-CE1 3.56Å; I204-Y493 HydrophobicContact CG2-CE2 4.16Å; I204-Y493 HydrophobicContact CG2-CG 3.33Å; I204-Y493 WeakPolarHBondContact O-CE2 3.24Å; I204-Y493 PolarHBondContact O-OH 3.05Å
205	K	74.2	Confident	75.1	Confident	6 Å²	6	48.1 Å²	48.1	3%	0.026	24%	0.236	C	C	.	.	S	Bend	trans	-73.9	166.2	179.8	-74.8	-67.8	-177.1	178.6	0	112.9	W209 T213 E216 Y493 I825	K205-W209 HydrophobicContact CB-CE3 3.91Å; K205-W209 HydrophobicContact CB-CZ3 4.44Å; K205-W209 HydrophobicContact CD-CZ3 4.46Å; K205-W209 HydrophobicContact CG-CD2 4.43Å; K205-W209 HydrophobicContact CG-CE3 3.31Å; K205-W209 HydrophobicContact CG-CZ3 3.43Å; K205-W209 VanDerWaalsContact CG-CZ3 3.43Å; K205-T213 HydrophobicContact CD-CG2 3.95Å; K205-T213 HydrophobicContact CG-CG2 4.25Å; K205-E216 IonicContact NZ-OE2 3.58Å; K205-E216 PolarHBondContact NZ-OE2 2.85Å; K205-Y493 WeakPolarHBondContact CA-OH 3.4Å; K205-Y493 HydrophobicContact CD-CE1 4.22Å; K205-Y493 WeakPolarHBondContact CD-OH 3.33Å; K205-I825 HydrophobicContact CB-CD1 3.61Å; K205-I825 WeakPolarHBondContact O-CD1 3.22Å
206	R	76.1	Confident	75.7	Confident	104 Å²	104	48.8 Å²	48.8	39%	0.392	24%	0.238	S	C	.	.	S	Bend	trans	-86.6	114.8	-180	-83.6	176.2	177.3	-165.6	-7	109.4	E208 D483 Y487	R206-E208 PolarHBondContact O-N 3.29Å; R206-D483 IonicContact CZ-OD2 2.68Å; R206-D483 IonicContact NE-OD2 3.61Å; R206-D483 IonicContact NH2-OD1 3.23Å; R206-D483 IonicContact NH2-OD2 2.68Å; R206-D483 PolarHBondContact NH2-OD2 3.28Å; R206-Y487 HydrophobicContact CB-CD1 3.87Å; R206-Y487 HydrophobicContact CB-CD2 4.5Å; R206-Y487 HydrophobicContact CB-CE1 4.39Å; R206-Y487 HydrophobicContact CB-CG 3.95Å; R206-Y487 HydrophobicContact CG-CD1 4.08Å; R206-Y487 HydrophobicContact CG-CD2 3.86Å; R206-Y487 HydrophobicContact CG-CE1 4.44Å; R206-Y487 HydrophobicContact CG-CE2 4.21Å; R206-Y487 HydrophobicContact CG-CG 3.8Å
207	G	78	Confident	76.5	Confident	3 Å²	3	48.9 Å²	48.9	3%	0.031	24%	0.238	C	C	.	.	S	Bend	trans	75.1	-59	167.1	0	0	0	0	0	115	Y487 I825	G207-Y487 WeakPolarHBondContact CA-O 3.39Å; G207-Y487 PolarHBondContact N-O 3Å; G207-Y487 VanDerWaalsContact N-O 3.1Å; G207-I825 PolarHBondContact O-N 2.75Å
208	E	82.8	Confident	77.5	Confident	10 Å²	10	48.9 Å²	48.9	5%	0.047	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	151.4	-178.7	63.3	-178.2	-151.6	0	0	110.9	R206 N210 T823 Y830 K834	R206-E208 PolarHBondContact O-N 3.29Å; E208-N210 PolarHBondContact OE1-ND2 3.2Å; E208-T823 WeakPolarHBondContact CA-O 3.37Å; E208-Y830 HydrophobicContact CB-CD1 4.35Å; E208-Y830 HydrophobicContact CB-CE1 4.49Å; E208-Y830 HydrophobicContact CG-CD1 4.27Å; E208-Y830 HydrophobicContact CG-CE1 3.93Å; E208-K834 VanDerWaalsContact OE1-CE 3.28Å; E208-K834 WeakPolarHBondContact OE1-CE 3.1Å; E208-K834 IonicContact OE1-NZ 3.22Å; E208-K834 PolarHBondContact OE1-NZ 2.87Å; E208-K834 IonicContact OE2-NZ 3.81Å
209	W	83.8	Confident	78.4	Confident	4 Å²	4	46.6 Å²	46.6	2%	0.015	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	116.9	163.5	-179.3	-84.5	0	0	0	108.4	F192 Y196 K205 Y214 Y217 S822 T823	F192-W209 AromaticContact CE1-CD1 3.89Å; F192-W209 WeakPolarHBondContact CE1-O 3.43Å; F192-W209 AromaticContact CZ-CD1 3.55Å; F192-W209 AromaticContact CZ-NE1 4Å; Y196-W209 HydrophobicContact CD2-CB 3.66Å; Y196-W209 AromaticContact CD2-CD1 3.11Å; Y196-W209 AromaticContact CD2-CD2 3.65Å; Y196-W209 HydrophobicContact CD2-CD2 3.65Å; Y196-W209 AromaticContact CD2-CE2 3.88Å; Y196-W209 HydrophobicContact CD2-CE3 4.46Å; Y196-W209 AromaticContact CD2-CG 3.19Å; Y196-W209 HydrophobicContact CD2-CG 3.19Å; Y196-W209 AromaticContact CD2-NE1 3.54Å; Y196-W209 HydrophobicContact CE2-CB 3.03Å; Y196-W209 AromaticContact CE2-CD1 3.49Å; Y196-W209 VanDerWaalsContact CE2-CD1 3.49Å; Y196-W209 AromaticContact CE2-CD2 3.44Å; Y196-W209 HydrophobicContact CE2-CD2 3.44Å; Y196-W209 VanDerWaalsContact CE2-CD2 3.44Å; Y196-W209 AromaticContact CE2-CE3 3.93Å; Y196-W209 HydrophobicContact CE2-CE3 3.93Å; Y196-W209 AromaticContact CE2-CG 3Å; Y196-W209 HydrophobicContact CE2-CG 3Å; Y196-W209 HydrophobicContact CG-CG 4.34Å; K205-W209 HydrophobicContact CB-CE3 3.91Å; K205-W209 HydrophobicContact CB-CZ3 4.44Å; K205-W209 HydrophobicContact CD-CZ3 4.46Å; K205-W209 HydrophobicContact CG-CD2 4.43Å; K205-W209 HydrophobicContact CG-CE3 3.31Å; K205-W209 HydrophobicContact CG-CZ3 3.43Å; K205-W209 VanDerWaalsContact CG-CZ3 3.43Å; W209-Y214 AromaticContact CZ2-CD2 3.96Å; W209-Y214 HydrophobicContact CZ2-CD2 3.96Å; W209-Y214 HydrophobicContact CZ2-CG 4.46Å; W209-Y217 HydrophobicContact CH2-CG 4.28Å; W209-S822 CarbonylContact O-C 3.6Å; W209-S822 VanDerWaalsContact O-CA 3.27Å; W209-S822 WeakPolarHBondContact O-CA 3.18Å; W209-T823 PolarHBondContact N-O 2.96Å; W209-T823 PolarHBondContact O-N 3.06Å
210	N	86.9	Confident	79.6	Confident	7 Å²	7	44.2 Å²	44.2	4%	0.037	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	-178.9	-176.2	64.7	25.7	0	0	0	111.4	E208 E212 T213 Y214 C821 E843	E208-N210 PolarHBondContact OE1-ND2 3.2Å; N210-E212 VanDerWaalsContact C-N 3.35Å; N210-E212 PolarHBondContact O-N 3.05Å; N210-E212 PolarHBondContact OD1-N 2.79Å; N210-E212 VanDerWaalsContact OD1-N 3.1Å; N210-T213 PolarHBondContact N-OG1 3.24Å; N210-T213 PolarHBondContact O-N 3.02Å; N210-T213 PolarHBondContact O-OG1 2.86Å; N210-T213 WeakPolarHBondContact OD1-CG2 3.5Å; N210-T213 PolarHBondContact OD1-N 2.78Å; N210-T213 PolarHBondContact OD1-OG1 3.22Å; N210-Y214 PolarHBondContact O-N 3.12Å; N210-C821 WeakPolarHBondContact CA-O 3.26Å; N210-E843 HydrophobicContact CB-CG 3.7Å
211	Y	86	Confident	80.7	Confident	20 Å²	20	38 Å²	38	8%	0.078	17%	0.174	C	C	.	.	H	α-helix	trans	-50.9	-48.8	176	-173.2	-104.6	0	0	0	114.1	W173 Y214 N215 Y671 Q819 C821	W173-Y211 HydrophobicContact CE3-CD2 4.42Å; W173-Y211 AromaticContact CH2-CD2 3.27Å; W173-Y211 HydrophobicContact CH2-CD2 3.27Å; W173-Y211 AromaticContact CH2-CE2 3.41Å; W173-Y211 HydrophobicContact CH2-CE2 3.41Å; W173-Y211 VanDerWaalsContact CH2-CE2 3.41Å; W173-Y211 HydrophobicContact CH2-CG 4.48Å; W173-Y211 AromaticContact CZ3-CD2 3.16Å; W173-Y211 HydrophobicContact CZ3-CD2 3.16Å; W173-Y211 AromaticContact CZ3-CE2 3.28Å; W173-Y211 HydrophobicContact CZ3-CE2 3.28Å; W173-Y211 HydrophobicContact CZ3-CG 4.48Å; Y211-Y214 PolarHBondContact O-N 3.4Å; Y211-N215 WeakPolarHBondContact CD1-ND2 3.49Å; Y211-N215 WeakPolarHBondContact CE1-ND2 3.25Å; Y211-N215 VanDerWaalsContact CZ-ND2 3.27Å; Y211-N215 PolarHBondContact O-N 3.23Å; Y211-N215 VanDerWaalsContact O-N 3.07Å; Y211-Y671 HydrophobicContact CE1-CD2 4.46Å; Y211-Y671 AromaticContact CE1-CE2 3.71Å; Y211-Y671 HydrophobicContact CE1-CE2 3.71Å; Y211-Y671 AromaticContact CZ-CE2 3.83Å; Y211-Y671 WeakPolarHBondContact OH-CD2 3.1Å; Y211-Y671 WeakPolarHBondContact OH-CE2 3.22Å; Y211-Q819 WeakPolarHBondContact CB-O 3.46Å; Y211-Q819 HydrophobicContact CD1-CB 4.2Å; Y211-Q819 HydrophobicContact CD1-CG 4.1Å; Y211-Q819 HydrophobicContact CE1-CG 4.02Å; Y211-Q819 HydrophobicContact CG-CB 4.41Å; Y211-C821 PolarHBondContact N-O 3.39Å
212	E	85.1	Confident	81.8	Confident	122 Å²	122	39.6 Å²	39.6	57%	0.57	18%	0.184	S	C	*	.	H	α-helix	trans	-63	-47.2	-178.1	-174.7	180	-176.1	0	0	111.1	N210 Y214 N215 E216	N210-E212 VanDerWaalsContact C-N 3.35Å; N210-E212 PolarHBondContact O-N 3.05Å; N210-E212 PolarHBondContact OD1-N 2.79Å; N210-E212 VanDerWaalsContact OD1-N 3.1Å; E212-Y214 VanDerWaalsContact C-N 3.3Å; E212-Y214 PolarHBondContact O-N 3.18Å; E212-N215 PolarHBondContact O-N 3.3Å; E212-N215 VanDerWaalsContact O-N 3.13Å; E212-E216 PolarHBondContact O-N 3.22Å
213	T	84.8	Confident	83.1	Confident	20 Å²	20	36.2 Å²	36.2	12%	0.123	17%	0.169	C	C	.	.	H	α-helix	trans	-63.8	-33.8	179.1	60.9	0	0	0	0	113.1	K205 N210 Y217	K205-T213 HydrophobicContact CD-CG2 3.95Å; K205-T213 HydrophobicContact CG-CG2 4.25Å; N210-T213 PolarHBondContact N-OG1 3.24Å; N210-T213 PolarHBondContact O-N 3.02Å; N210-T213 PolarHBondContact O-OG1 2.86Å; N210-T213 WeakPolarHBondContact OD1-CG2 3.5Å; N210-T213 PolarHBondContact OD1-N 2.78Å; N210-T213 PolarHBondContact OD1-OG1 3.22Å; T213-Y217 WeakPolarHBondContact O-CB 3.47Å; T213-Y217 PolarHBondContact O-N 2.87Å
214	Y	86.2	Confident	84.5	Confident	36 Å²	36	36.3 Å²	36.3	14%	0.141	17%	0.169	C	C	.	.	H	α-helix	trans	-64.5	-46.7	172.8	173.4	-89.9	0	0	0	110.7	W173 W209 N210 Y211 E212 Y217 Q218	W173-Y214 HydrophobicContact CH2-CD1 4.09Å; W173-Y214 HydrophobicContact CH2-CE1 4.45Å; W173-Y214 AromaticContact CZ2-CD1 3.81Å; W173-Y214 HydrophobicContact CZ2-CD1 3.81Å; W173-Y214 HydrophobicContact CZ2-CD2 4.35Å; W173-Y214 AromaticContact CZ2-CE1 3.98Å; W173-Y214 HydrophobicContact CZ2-CE1 3.98Å; W173-Y214 HydrophobicContact CZ2-CG 4.02Å; W209-Y214 AromaticContact CZ2-CD2 3.96Å; W209-Y214 HydrophobicContact CZ2-CD2 3.96Å; W209-Y214 HydrophobicContact CZ2-CG 4.46Å; N210-Y214 PolarHBondContact O-N 3.12Å; Y211-Y214 PolarHBondContact O-N 3.4Å; E212-Y214 VanDerWaalsContact C-N 3.3Å; E212-Y214 PolarHBondContact O-N 3.18Å; Y214-Y217 WeakPolarHBondContact O-CB 3.41Å; Y214-Y217 PolarHBondContact O-N 3.09Å; Y214-Q218 HydrophobicContact CD1-CG 4.31Å; Y214-Q218 HydrophobicContact CE1-CG 3.87Å; Y214-Q218 WeakPolarHBondContact O-CG 3.15Å; Y214-Q218 PolarHBondContact O-N 3.43Å
215	N	85.3	Confident	85.7	Confident	48 Å²	48	41.5 Å²	41.5	26%	0.257	19%	0.187	S	C	.	.	H	α-helix	trans	-65.6	-42	178.5	-71.8	-24.9	0	0	0	112.2	Y211 E212 Y217 Q218 E219	Y211-N215 WeakPolarHBondContact CD1-ND2 3.49Å; Y211-N215 WeakPolarHBondContact CE1-ND2 3.25Å; Y211-N215 VanDerWaalsContact CZ-ND2 3.27Å; Y211-N215 PolarHBondContact O-N 3.23Å; Y211-N215 VanDerWaalsContact O-N 3.07Å; E212-N215 PolarHBondContact O-N 3.3Å; E212-N215 VanDerWaalsContact O-N 3.13Å; N215-Y217 VanDerWaalsContact C-N 3.29Å; N215-Y217 PolarHBondContact O-N 3.43Å; N215-Q218 PolarHBondContact O-N 3.31Å; N215-E219 WeakPolarHBondContact O-CB 3.39Å; N215-E219 PolarHBondContact O-N 3.02Å
216	E	86.4	Confident	86.5	Confident	54 Å²	54	43.5 Å²	43.5	25%	0.252	20%	0.196	S	C	.	.	H	α-helix	trans	-58.6	-42.9	174.5	-171.7	-167.1	-171.6	0	0	110.6	K205 E212 E219 L220 K501	K205-E216 IonicContact NZ-OE2 3.58Å; K205-E216 PolarHBondContact NZ-OE2 2.85Å; E212-E216 PolarHBondContact O-N 3.22Å; E216-E219 PolarHBondContact O-N 3.47Å; E216-L220 HydrophobicContact CG-CD1 3.94Å; E216-L220 HydrophobicContact CG-CG 4.36Å; E216-L220 WeakPolarHBondContact O-CB 3.5Å; E216-L220 VanDerWaalsContact O-CG 3.26Å; E216-L220 WeakPolarHBondContact O-CG 3.49Å; E216-L220 PolarHBondContact O-N 3.21Å; E216-K501 IonicContact OE1-NZ 3.21Å; E216-K501 PolarHBondContact OE1-NZ 3.04Å
217	Y	87.3	Confident	87.3	Confident	21 Å²	21	39 Å²	39	8%	0.082	18%	0.179	C	C	.	.	H	α-helix	trans	-60.4	-46.7	175.8	173.3	-90.6	0	0	0	112	Y201 W209 T213 Y214 N215 E219 L220 N221 W496 L497	Y201-Y217 HydrophobicContact CD1-CE2 4.18Å; Y201-Y217 AromaticContact CD2-CE2 3.81Å; Y201-Y217 HydrophobicContact CD2-CE2 3.81Å; Y201-Y217 AromaticContact CD2-CZ 3.75Å; Y201-Y217 VanDerWaalsContact CD2-OH 3.31Å; Y201-Y217 WeakPolarHBondContact CD2-OH 3.34Å; Y201-Y217 HydrophobicContact CE2-CE2 4.33Å; Y201-Y217 WeakPolarHBondContact CE2-OH 3.48Å; Y201-Y217 AromaticContact CG-CE2 3.74Å; Y201-Y217 HydrophobicContact CG-CE2 3.74Å; W209-Y217 HydrophobicContact CH2-CG 4.28Å; T213-Y217 WeakPolarHBondContact O-CB 3.47Å; T213-Y217 PolarHBondContact O-N 2.87Å; Y214-Y217 WeakPolarHBondContact O-CB 3.41Å; Y214-Y217 PolarHBondContact O-N 3.09Å; N215-Y217 VanDerWaalsContact C-N 3.29Å; N215-Y217 PolarHBondContact O-N 3.43Å; Y217-E219 VanDerWaalsContact C-N 3.33Å; Y217-E219 PolarHBondContact O-N 3.2Å; Y217-L220 PolarHBondContact O-N 3.1Å; Y217-N221 VanDerWaalsContact O-CB 3.3Å; Y217-N221 WeakPolarHBondContact O-CB 3.25Å; Y217-N221 PolarHBondContact O-N 3.36Å; Y217-W496 HydrophobicContact CD2-CH2 4.18Å; Y217-W496 AromaticContact CE2-CH2 3.57Å; Y217-W496 HydrophobicContact CE2-CH2 3.57Å; Y217-W496 AromaticContact CE2-CZ2 3.67Å; Y217-W496 HydrophobicContact CE2-CZ2 3.67Å; Y217-W496 AromaticContact CZ-CH2 3.99Å; Y217-L497 HydrophobicContact CD2-CD1 4.33Å; Y217-L497 HydrophobicContact CD2-CD2 4.05Å; Y217-L497 HydrophobicContact CE2-CD2 4.41Å
218	Q	85.5	Confident	87.8	Confident	59 Å²	59	43 Å²	43	28%	0.276	21%	0.212	S	C	.	.	H	α-helix	trans	-61.6	-43.5	178	-65.7	-59.3	-29.1	0	0	111.2	Y214 N215 N221 E222	Y214-Q218 HydrophobicContact CD1-CG 4.31Å; Y214-Q218 HydrophobicContact CE1-CG 3.87Å; Y214-Q218 WeakPolarHBondContact O-CG 3.15Å; Y214-Q218 PolarHBondContact O-N 3.43Å; N215-Q218 PolarHBondContact O-N 3.31Å; Q218-N221 PolarHBondContact O-N 3.5Å; Q218-E222 WeakPolarHBondContact O-CG 3.39Å; Q218-E222 PolarHBondContact O-N 3.07Å
219	E	87.1	Confident	88.1	Confident	80 Å²	80	49.4 Å²	49.4	37%	0.374	24%	0.244	S	C	.	.	H	α-helix	trans	-61.6	-47.6	177.9	-165.8	-161.1	144.9	0	0	111.8	N215 E216 Y217 N221 E222 L223 R504	N215-E219 WeakPolarHBondContact O-CB 3.39Å; N215-E219 PolarHBondContact O-N 3.02Å; E216-E219 PolarHBondContact O-N 3.47Å; Y217-E219 VanDerWaalsContact C-N 3.33Å; Y217-E219 PolarHBondContact O-N 3.2Å; E219-N221 VanDerWaalsContact C-N 3.28Å; E219-N221 PolarHBondContact O-N 3.41Å; E219-E222 PolarHBondContact O-N 3.41Å; E219-L223 WeakPolarHBondContact O-CB 3.49Å; E219-L223 PolarHBondContact O-N 3.27Å; E219-R504 IonicContact OE1-CZ 3.22Å; E219-R504 IonicContact OE1-NE 3.49Å; E219-R504 PolarHBondContact OE1-NE 2.78Å; E219-R504 IonicContact OE1-NH2 2.78Å; E219-R504 PolarHBondContact OE1-NH2 3.49Å
220	L	90.8	Very high	88.4	Confident	4 Å²	4	50.2 Å²	50.2	2%	0.021	25%	0.249	C	C	.	.	H	α-helix	trans	-67.6	-29.9	179.7	-68.2	176	0	0	0	112.5	E216 Y217 L223 N224 L497 S500 K501 R504	E216-L220 HydrophobicContact CG-CD1 3.94Å; E216-L220 HydrophobicContact CG-CG 4.36Å; E216-L220 WeakPolarHBondContact O-CB 3.5Å; E216-L220 VanDerWaalsContact O-CG 3.26Å; E216-L220 WeakPolarHBondContact O-CG 3.49Å; E216-L220 PolarHBondContact O-N 3.21Å; Y217-L220 PolarHBondContact O-N 3.1Å; L220-L223 HydrophobicContact CD2-CD2 4.41Å; L220-N224 VanDerWaalsContact O-CB 3.3Å; L220-N224 WeakPolarHBondContact O-CB 3.4Å; L220-N224 PolarHBondContact O-N 3.42Å; L220-L497 HydrophobicContact CB-CD1 3.59Å; L220-L497 HydrophobicContact CD1-CD1 3.47Å; L220-L497 VanDerWaalsContact CD1-CD1 3.47Å; L220-L497 HydrophobicContact CD1-CG 4.46Å; L220-L497 HydrophobicContact CG-CD1 4.18Å; L220-S500 PolarHBondContact O-OG 3.2Å; L220-K501 HydrophobicContact CD1-CB 4.01Å; L220-K501 HydrophobicContact CD2-CB 4.17Å; L220-R504 HydrophobicContact CD2-CB 4.26Å
221	N	89.8	Confident	88.2	Confident	25 Å²	25	53.7 Å²	53.7	13%	0.134	27%	0.272	C	S	.	.	H	α-helix	trans	-70.4	-42.7	173.4	-178.2	51.7	0	0	0	111.9	Y217 Q218 E219 L223 N224 R225 W496	Y217-N221 VanDerWaalsContact O-CB 3.3Å; Y217-N221 WeakPolarHBondContact O-CB 3.25Å; Y217-N221 PolarHBondContact O-N 3.36Å; Q218-N221 PolarHBondContact O-N 3.5Å; E219-N221 VanDerWaalsContact C-N 3.28Å; E219-N221 PolarHBondContact O-N 3.41Å; N221-L223 VanDerWaalsContact C-N 3.35Å; N221-N224 WeakPolarHBondContact O-CB 3.41Å; N221-N224 PolarHBondContact O-N 3.05Å; N221-R225 WeakPolarHBondContact O-CG 3.24Å; N221-R225 PolarHBondContact O-N 3.31Å; N221-R225 VanDerWaalsContact O-N 3.08Å; N221-W496 HydrophobicContact CB-CH2 3.99Å; N221-W496 HydrophobicContact CB-CZ3 4.12Å
222	E	88.6	Confident	87.8	Confident	93 Å²	93	60.9 Å²	60.9	44%	0.435	31%	0.311	S	S	.	.	H	α-helix	trans	-66.7	-38.2	173.3	-69.5	-53.7	140.1	0	0	111.7	Q218 E219 N224 R225 F226	Q218-E222 WeakPolarHBondContact O-CG 3.39Å; Q218-E222 PolarHBondContact O-N 3.07Å; E219-E222 PolarHBondContact O-N 3.41Å; E222-N224 VanDerWaalsContact C-N 3.35Å; E222-N224 PolarHBondContact O-N 3.32Å; E222-R225 WeakPolarHBondContact O-CB 3.34Å; E222-R225 PolarHBondContact O-N 2.9Å; E222-R225 IonicContact OE1-CZ 2.65Å; E222-R225 IonicContact OE1-NH1 3.15Å; E222-R225 PolarHBondContact OE1-NH1 3.39Å; E222-R225 IonicContact OE2-NH1 3.76Å; E222-F226 WeakPolarHBondContact O-CB 3.32Å; E222-F226 PolarHBondContact O-N 3.2Å
223	L	91.1	Very high	87.5	Confident	0 Å²	0	57 Å²	57	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-62	-42.6	172.3	178.5	57	0	0	0	111.7	E219 L220 N221 R225 F226 I227 S500 R504 V511	E219-L223 WeakPolarHBondContact O-CB 3.49Å; E219-L223 PolarHBondContact O-N 3.27Å; L220-L223 HydrophobicContact CD2-CD2 4.41Å; N221-L223 VanDerWaalsContact C-N 3.35Å; L223-R225 VanDerWaalsContact C-N 3.31Å; L223-R225 PolarHBondContact O-N 2.7Å; L223-F226 HydrophobicContact CD1-CD1 4.18Å; L223-F226 WeakPolarHBondContact O-CB 3.44Å; L223-F226 PolarHBondContact O-N 2.73Å; L223-F226 VanDerWaalsContact O-N 3.17Å; L223-I227 HydrophobicContact CD1-CD1 3.99Å; L223-I227 HydrophobicContact CD1-CG1 3.99Å; L223-I227 HydrophobicContact CG-CD1 3.84Å; L223-I227 HydrophobicContact CG-CG1 4.33Å; L223-I227 VanDerWaalsContact O-CG1 3.29Å; L223-I227 WeakPolarHBondContact O-CG1 3.28Å; L223-I227 PolarHBondContact O-N 3.22Å; L223-S500 WeakPolarHBondContact CD2-O 3.05Å; L223-R504 HydrophobicContact CD2-CB 3.78Å; L223-V511 HydrophobicContact CD1-CB 4.49Å; L223-V511 HydrophobicContact CD1-CG1 3.36Å; L223-V511 HydrophobicContact CD1-CG2 4.29Å; L223-V511 HydrophobicContact CD2-CG1 4.44Å
224	N	93.6	Very high	87.1	Confident	34 Å²	34	64 Å²	64	18%	0.182	33%	0.329	C	S	.	.	H	α-helix	trans	-56.7	-46.1	175.5	-176	51.9	0	0	0	111.5	L220 N221 E222 A228 Y246 W496 S500	L220-N224 VanDerWaalsContact O-CB 3.3Å; L220-N224 WeakPolarHBondContact O-CB 3.4Å; L220-N224 PolarHBondContact O-N 3.42Å; N221-N224 WeakPolarHBondContact O-CB 3.41Å; N221-N224 PolarHBondContact O-N 3.05Å; E222-N224 VanDerWaalsContact C-N 3.35Å; E222-N224 PolarHBondContact O-N 3.32Å; N224-A228 PolarHBondContact O-N 2.97Å; N224-A228 VanDerWaalsContact O-N 3.16Å; N224-Y246 PolarHBondContact OD1-OH 3.48Å; N224-W496 HydrophobicContact CB-CE3 3.9Å; N224-W496 HydrophobicContact CB-CZ3 4.28Å; N224-S500 WeakPolarHBondContact CB-OG 3.22Å
225	R	91.3	Very high	86.4	Confident	121 Å²	121	71.1 Å²	71.1	46%	0.457	36%	0.364	S	S	.	.	H	α-helix	trans	-62.5	-43.7	175.1	-71.2	172.9	175.1	168.4	-2.7	111.6	N221 E222 L223 A228 M229	N221-R225 WeakPolarHBondContact O-CG 3.24Å; N221-R225 PolarHBondContact O-N 3.31Å; N221-R225 VanDerWaalsContact O-N 3.08Å; E222-R225 WeakPolarHBondContact O-CB 3.34Å; E222-R225 PolarHBondContact O-N 2.9Å; E222-R225 IonicContact OE1-CZ 2.65Å; E222-R225 IonicContact OE1-NH1 3.15Å; E222-R225 PolarHBondContact OE1-NH1 3.39Å; E222-R225 IonicContact OE2-NH1 3.76Å; L223-R225 VanDerWaalsContact C-N 3.31Å; L223-R225 PolarHBondContact O-N 2.7Å; R225-A228 PolarHBondContact O-N 3.36Å; R225-M229 HydrophobicContact CB-CE 4.22Å; R225-M229 WeakPolarHBondContact O-CG 3.32Å; R225-M229 PolarHBondContact O-N 3.03Å
226	F	91.1	Very high	85.9	Confident	49 Å²	49	72 Å²	72	22%	0.215	39%	0.385	C	S	.	.	H	α-helix	trans	-61	-47.4	178.3	176.6	-101.5	0	0	0	112.1	E222 L223 A228 M229 L230 L514 Q515	E222-F226 WeakPolarHBondContact O-CB 3.32Å; E222-F226 PolarHBondContact O-N 3.2Å; L223-F226 HydrophobicContact CD1-CD1 4.18Å; L223-F226 WeakPolarHBondContact O-CB 3.44Å; L223-F226 PolarHBondContact O-N 2.73Å; L223-F226 VanDerWaalsContact O-N 3.17Å; F226-A228 VanDerWaalsContact C-N 3.26Å; F226-A228 PolarHBondContact O-N 3.42Å; F226-M229 PolarHBondContact O-N 3.4Å; F226-L230 HydrophobicContact CE1-CD2 3.87Å; F226-L230 HydrophobicContact CE1-CG 4.39Å; F226-L230 HydrophobicContact CZ-CD2 3.87Å; F226-L230 PolarHBondContact O-N 3.17Å; F226-L514 HydrophobicContact CE1-CB 4.08Å; F226-L514 HydrophobicContact CZ-CB 3.8Å; F226-Q515 HydrophobicContact CD1-CG 3.92Å; F226-Q515 HydrophobicContact CD2-CG 4.05Å; F226-Q515 HydrophobicContact CE1-CG 3.68Å; F226-Q515 HydrophobicContact CE2-CG 3.82Å; F226-Q515 HydrophobicContact CG-CG 4.1Å; F226-Q515 HydrophobicContact CZ-CB 4.44Å; F226-Q515 HydrophobicContact CZ-CG 3.62Å
227	I	92	Very high	85.8	Confident	8 Å²	8	70.7 Å²	70.7	4%	0.041	38%	0.381	C	S	.	.	H	α-helix	trans	-58.9	-40.8	177.5	-66.7	164.4	0	0	0	110.5	L223 M229 L230 V242 Y246 V503	L223-I227 HydrophobicContact CD1-CD1 3.99Å; L223-I227 HydrophobicContact CD1-CG1 3.99Å; L223-I227 HydrophobicContact CG-CD1 3.84Å; L223-I227 HydrophobicContact CG-CG1 4.33Å; L223-I227 VanDerWaalsContact O-CG1 3.29Å; L223-I227 WeakPolarHBondContact O-CG1 3.28Å; L223-I227 PolarHBondContact O-N 3.22Å; I227-M229 PolarHBondContact O-N 3.35Å; I227-L230 WeakPolarHBondContact O-CB 3.2Å; I227-L230 PolarHBondContact O-N 3.46Å; I227-V242 HydrophobicContact CG1-CG1 4.19Å; I227-Y246 HydrophobicContact CD1-CD2 3.86Å; I227-Y246 HydrophobicContact CD1-CE2 4.36Å; I227-Y246 HydrophobicContact CD1-CG 4.35Å; I227-Y246 HydrophobicContact CG2-CD1 3.94Å; I227-Y246 HydrophobicContact CG2-CD2 4.33Å; I227-Y246 HydrophobicContact CG2-CG 3.82Å; I227-V503 HydrophobicContact CD1-CB 4.15Å; I227-V503 HydrophobicContact CD1-CG1 3.87Å; I227-V503 HydrophobicContact CD1-CG2 4.23Å
228	A	89.4	Confident	85.9	Confident	87 Å²	87	70.2 Å²	70.2	72%	0.719	38%	0.381	S	S	*	.	H	α-helix	trans	-65.9	-22.3	177.7	0	0	0	0	0	113.8	N224 R225 F226	N224-A228 PolarHBondContact O-N 2.97Å; N224-A228 VanDerWaalsContact O-N 3.16Å; R225-A228 PolarHBondContact O-N 3.36Å; F226-A228 VanDerWaalsContact C-N 3.26Å; F226-A228 PolarHBondContact O-N 3.42Å
229	M	89	Confident	86.1	Confident	146 Å²	146	69 Å²	69	72%	0.719	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.1	-4.7	177.4	-64.5	177.9	-155.1	0	0	113.3	R225 F226 I227	R225-M229 HydrophobicContact CB-CE 4.22Å; R225-M229 WeakPolarHBondContact O-CG 3.32Å; R225-M229 PolarHBondContact O-N 3.03Å; F226-M229 PolarHBondContact O-N 3.4Å; I227-M229 PolarHBondContact O-N 3.35Å
230	L	88.6	Confident	86.1	Confident	21 Å²	21	66.4 Å²	66.4	11%	0.11	37%	0.366	C	S	.	.	S	Bend	trans	-62.1	136.1	178.5	-72.5	174.8	0	0	0	110.4	F226 I227 E239 V242 L514	F226-L230 HydrophobicContact CE1-CD2 3.87Å; F226-L230 HydrophobicContact CE1-CG 4.39Å; F226-L230 HydrophobicContact CZ-CD2 3.87Å; F226-L230 PolarHBondContact O-N 3.17Å; I227-L230 WeakPolarHBondContact O-CB 3.2Å; I227-L230 PolarHBondContact O-N 3.46Å; L230-E239 HydrophobicContact CD2-CG 4.45Å; L230-V242 HydrophobicContact CD1-CB 4.2Å; L230-V242 HydrophobicContact CD1-CG1 3.74Å; L230-L514 HydrophobicContact CD2-CD1 4.25Å
231	P	84.1	Confident	86.1	Confident	80 Å²	80	67.3 Å²	67.3	52%	0.519	37%	0.371	S	S	.	.			trans	-65.1	152.1	179.5	27.2	-33.8	0	0	0	111.1	S233	P231-S233 VanDerWaalsContact C-N 3.26Å; P231-S233 PolarHBondContact O-N 3.21Å
232	N	77.5	Confident	86.2	Confident	170 Å²	170	66.1 Å²	66.1	91%	0.909	37%	0.365	S	S	*	.			trans	-69.6	87.9	167.1	-72.2	-23.9	0	0	0	109
233	S	79.3	Confident	86.4	Confident	42 Å²	42	62.8 Å²	62.8	29%	0.294	35%	0.352	S	S	.	.	P	Polyproline II helix	trans	-86.1	164.5	179.7	-67	0	0	0	0	112.1	P231 S237	P231-S233 VanDerWaalsContact C-N 3.26Å; P231-S233 PolarHBondContact O-N 3.21Å; S233-S237 WeakPolarHBondContact CB-OG 3.49Å
234	Q	74.8	Confident	86.3	Confident	167 Å²	167	63.7 Å²	63.7	78%	0.78	36%	0.358	S	S	*	.	P	Polyproline II helix	trans	-57	146.4	175.5	-64.2	-65.1	-28.1	0	0	111.4	G236 S237 S240	Q234-G236 PolarHBondContact O-N 2.92Å; Q234-S237 VanDerWaalsContact O-CB 3.29Å; Q234-S237 WeakPolarHBondContact O-CB 3.5Å; Q234-S237 PolarHBondContact O-N 3.06Å; Q234-S237 VanDerWaalsContact O-N 3.11Å; Q234-S237 PolarHBondContact O-OG 2.83Å; Q234-S240 PolarHBondContact O-OG 3.02Å
235	E	71.7	Confident	86.3	Confident	184 Å²	184	62.1 Å²	62.1	86%	0.86	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56	133.1	173.8	-71.7	-174.8	170.4	0	0	110.5
236	G	74.3	Confident	86.3	Confident	68 Å²	68	57.4 Å²	57.4	70%	0.701	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	89.3	-3.3	-176.7	0	0	0	0	0	114.8	Q234 S240	Q234-G236 PolarHBondContact O-N 2.92Å; G236-S240 PolarHBondContact N-OG 3.19Å
237	S	86	Confident	86.3	Confident	26 Å²	26	61.1 Å²	61.1	18%	0.182	35%	0.345	C	S	.	.	S	Bend	trans	-70.8	158.5	165.7	62.6	0	0	0	0	111.7	S233 Q234 E239 S240 T241	S233-S237 WeakPolarHBondContact CB-OG 3.49Å; Q234-S237 VanDerWaalsContact O-CB 3.29Å; Q234-S237 WeakPolarHBondContact O-CB 3.5Å; Q234-S237 PolarHBondContact O-N 3.06Å; Q234-S237 VanDerWaalsContact O-N 3.11Å; Q234-S237 PolarHBondContact O-OG 2.83Å; S237-E239 VanDerWaalsContact C-N 3.33Å; S237-S240 PolarHBondContact N-OG 3.26Å; S237-S240 VanDerWaalsContact N-OG 3.17Å; S237-S240 PolarHBondContact O-N 3.49Å; S237-S240 PolarHBondContact O-OG 3.35Å; S237-S240 VanDerWaalsContact OG-CB 3.22Å; S237-S240 WeakPolarHBondContact OG-CB 3.16Å; S237-S240 PolarHBondContact OG-N 3.25Å; S237-S240 PolarHBondContact OG-OG 2.88Å; S237-T241 PolarHBondContact O-N 2.9Å; S237-T241 PolarHBondContact O-OG1 3.02Å
238	V	88.4	Confident	86.3	Confident	11 Å²	11	61.3 Å²	61.3	7%	0.067	35%	0.347	C	S	.	.	H	α-helix	trans	-69	-37.6	-179	179.2	0	0	0	0	110.3	S240 T241 V242 A510 L514 L596 Y600	V238-S240 VanDerWaalsContact C-N 3.34Å; V238-S240 PolarHBondContact O-N 3.37Å; V238-T241 WeakPolarHBondContact O-CB 3.32Å; V238-T241 PolarHBondContact O-N 3Å; V238-T241 VanDerWaalsContact O-N 3.14Å; V238-V242 WeakPolarHBondContact O-CG2 3.31Å; V238-V242 PolarHBondContact O-N 3Å; V238-A510 HydrophobicContact CG1-CB 3.55Å; V238-L514 HydrophobicContact CG1-CD1 4.45Å; V238-L596 HydrophobicContact CB-CD2 3.86Å; V238-L596 HydrophobicContact CB-CG 4.18Å; V238-L596 HydrophobicContact CG1-CD2 3.61Å; V238-L596 HydrophobicContact CG1-CG 3.91Å; V238-L596 HydrophobicContact CG2-CB 4.15Å; V238-L596 HydrophobicContact CG2-CD2 3.85Å; V238-L596 HydrophobicContact CG2-CG 3.65Å; V238-Y600 HydrophobicContact CG1-CD2 4.19Å; V238-Y600 HydrophobicContact CG1-CE2 4.33Å; V238-Y600 HydrophobicContact CG2-CD2 4.25Å
239	E	89.6	Confident	86.4	Confident	33 Å²	33	57.1 Å²	57.1	15%	0.154	31%	0.312	C	S	.	.	H	α-helix	trans	-58	-46.1	171.7	-59.7	89.1	152.5	0	0	111	L230 S237 T241 V242 S243 L514	L230-E239 HydrophobicContact CD2-CG 4.45Å; S237-E239 VanDerWaalsContact C-N 3.33Å; E239-T241 VanDerWaalsContact C-N 3.28Å; E239-T241 PolarHBondContact O-N 3.37Å; E239-V242 PolarHBondContact O-N 3.39Å; E239-S243 WeakPolarHBondContact O-CB 3.5Å; E239-S243 PolarHBondContact O-N 3.45Å; E239-S243 PolarHBondContact O-OG 3.02Å; E239-L514 HydrophobicContact CG-CD1 4.1Å; E239-L514 HydrophobicContact CG-CD2 3.68Å
240	S	88.3	Confident	86.4	Confident	26 Å²	26	55.9 Å²	55.9	18%	0.182	30%	0.3	C	S	.	.	H	α-helix	trans	-64.5	-34.1	176.5	75.7	0	0	0	0	112.4	Q234 G236 S237 V238 S244	Q234-S240 PolarHBondContact O-OG 3.02Å; G236-S240 PolarHBondContact N-OG 3.19Å; S237-S240 PolarHBondContact N-OG 3.26Å; S237-S240 VanDerWaalsContact N-OG 3.17Å; S237-S240 PolarHBondContact O-N 3.49Å; S237-S240 PolarHBondContact O-OG 3.35Å; S237-S240 VanDerWaalsContact OG-CB 3.22Å; S237-S240 WeakPolarHBondContact OG-CB 3.16Å; S237-S240 PolarHBondContact OG-N 3.25Å; S237-S240 PolarHBondContact OG-OG 2.88Å; V238-S240 VanDerWaalsContact C-N 3.34Å; V238-S240 PolarHBondContact O-N 3.37Å; S240-S244 WeakPolarHBondContact O-CB 3.36Å; S240-S244 PolarHBondContact O-N 3.13Å
241	T	90.1	Very high	86.4	Confident	22 Å²	22	60.1 Å²	60.1	14%	0.135	32%	0.319	C	S	.	.	H	α-helix	trans	-67.1	-46.2	178.3	-56.4	0	0	0	0	110.8	S237 V238 E239 S244 L245 L507 L603 L605	S237-T241 PolarHBondContact O-N 2.9Å; S237-T241 PolarHBondContact O-OG1 3.02Å; V238-T241 WeakPolarHBondContact O-CB 3.32Å; V238-T241 PolarHBondContact O-N 3Å; V238-T241 VanDerWaalsContact O-N 3.14Å; E239-T241 VanDerWaalsContact C-N 3.28Å; E239-T241 PolarHBondContact O-N 3.37Å; T241-S244 PolarHBondContact O-N 3.18Å; T241-L245 WeakPolarHBondContact O-CB 3.24Å; T241-L245 PolarHBondContact O-N 3.26Å; T241-L507 HydrophobicContact CG2-CD1 4.14Å; T241-L603 HydrophobicContact CG2-CD2 4.17Å; T241-L605 HydrophobicContact CG2-CD1 3.71Å; T241-L605 HydrophobicContact CG2-CG 4.22Å
242	V	92.4	Very high	86.4	Confident	1 Å²	1	56.6 Å²	56.6	1%	0.006	30%	0.296	C	S	.	.	H	α-helix	trans	-60.3	-50.6	175.3	170.3	0	0	0	0	110.8	I227 L230 V238 E239 S244 L245 Y246 V503 L507 A510 L514	I227-V242 HydrophobicContact CG1-CG1 4.19Å; L230-V242 HydrophobicContact CD1-CB 4.2Å; L230-V242 HydrophobicContact CD1-CG1 3.74Å; V238-V242 WeakPolarHBondContact O-CG2 3.31Å; V238-V242 PolarHBondContact O-N 3Å; E239-V242 PolarHBondContact O-N 3.39Å; V242-S244 VanDerWaalsContact C-N 3.34Å; V242-S244 PolarHBondContact O-N 3.4Å; V242-L245 PolarHBondContact O-N 3.37Å; V242-Y246 PolarHBondContact O-N 2.97Å; V242-V503 HydrophobicContact CG1-CG1 3.81Å; V242-L507 HydrophobicContact CG2-CD1 4.01Å; V242-A510 HydrophobicContact CG2-CB 3.83Å; V242-L514 HydrophobicContact CG2-CD1 4.21Å
243	S	91.5	Very high	86.6	Confident	23 Å²	23	52.5 Å²	52.5	16%	0.161	27%	0.274	C	S	.	.	H	α-helix	trans	-64.7	-36.3	179.7	-65.8	0	0	0	0	112.7	E239 R247	E239-S243 WeakPolarHBondContact O-CB 3.5Å; E239-S243 PolarHBondContact O-N 3.45Å; E239-S243 PolarHBondContact O-OG 3.02Å; S243-R247 WeakPolarHBondContact O-CB 3.16Å; S243-R247 PolarHBondContact O-N 2.96Å
244	S	90	Very high	86.7	Confident	19 Å²	19	55 Å²	55	13%	0.133	29%	0.288	C	S	.	.	H	α-helix	trans	-67.2	-45.8	176.7	-173.2	0	0	0	0	111.8	S240 T241 V242 Y246 R247 S248	S240-S244 WeakPolarHBondContact O-CB 3.36Å; S240-S244 PolarHBondContact O-N 3.13Å; T241-S244 PolarHBondContact O-N 3.18Å; V242-S244 VanDerWaalsContact C-N 3.34Å; V242-S244 PolarHBondContact O-N 3.4Å; S244-Y246 VanDerWaalsContact C-N 3.35Å; S244-Y246 PolarHBondContact O-N 3.21Å; S244-R247 PolarHBondContact O-N 3.48Å; S244-S248 WeakPolarHBondContact O-CB 3.46Å; S244-S248 PolarHBondContact O-N 2.84Å
245	L	92.2	Very high	87.3	Confident	1 Å²	1	47.7 Å²	47.7	1%	0.005	25%	0.254	C	S	.	.	H	α-helix	trans	-59	-47.2	176.4	-177.8	62.7	0	0	0	111.4	T241 V242 S248 C249 V502 V503 W506 L507 L605 F610	T241-L245 WeakPolarHBondContact O-CB 3.24Å; T241-L245 PolarHBondContact O-N 3.26Å; V242-L245 PolarHBondContact O-N 3.37Å; L245-S248 PolarHBondContact O-N 3.46Å; L245-C249 WeakPolarHBondContact O-CB 3.46Å; L245-C249 PolarHBondContact O-N 3.31Å; L245-V502 HydrophobicContact CD1-CG1 4.23Å; L245-V502 HydrophobicContact CD2-CG1 4.2Å; L245-V502 HydrophobicContact CG-CG1 4.14Å; L245-V503 HydrophobicContact CB-CG2 4.48Å; L245-V503 HydrophobicContact CD2-CG2 4.16Å; L245-V503 HydrophobicContact CG-CG2 4.25Å; L245-W506 HydrophobicContact CD1-CE3 3.7Å; L245-W506 HydrophobicContact CD1-CZ3 3.88Å; L245-W506 HydrophobicContact CD2-CB 4.02Å; L245-W506 HydrophobicContact CD2-CE3 4.2Å; L245-L507 HydrophobicContact CB-CD1 4.39Å; L245-L507 HydrophobicContact CD2-CD1 3.62Å; L245-L507 HydrophobicContact CD2-CG 3.83Å; L245-L605 HydrophobicContact CB-CD1 3.74Å; L245-L605 HydrophobicContact CD1-CD1 4.12Å; L245-L605 HydrophobicContact CG-CD1 4.39Å; L245-F610 HydrophobicContact CD1-CE2 3.75Å; L245-F610 HydrophobicContact CD1-CZ 4.5Å
246	Y	93.1	Very high	88.2	Confident	22 Å²	22	43.7 Å²	43.7	9%	0.086	24%	0.238	C	C	.	.	H	α-helix	trans	-60.2	-47.5	178.3	-177.1	-99.1	0	0	0	111.8	N224 I227 V242 S244 C249 R250 C499 V503	N224-Y246 PolarHBondContact OD1-OH 3.48Å; I227-Y246 HydrophobicContact CD1-CD2 3.86Å; I227-Y246 HydrophobicContact CD1-CE2 4.36Å; I227-Y246 HydrophobicContact CD1-CG 4.35Å; I227-Y246 HydrophobicContact CG2-CD1 3.94Å; I227-Y246 HydrophobicContact CG2-CD2 4.33Å; I227-Y246 HydrophobicContact CG2-CG 3.82Å; V242-Y246 PolarHBondContact O-N 2.97Å; S244-Y246 VanDerWaalsContact C-N 3.35Å; S244-Y246 PolarHBondContact O-N 3.21Å; Y246-C249 PolarHBondContact O-N 3.3Å; Y246-R250 HydrophobicContact CE1-CG 4.17Å; Y246-R250 PolarHBondContact O-N 2.78Å; Y246-R250 VanDerWaalsContact O-N 3.09Å; Y246-C499 HydrophobicContact CD2-CB 3.85Å; Y246-C499 HydrophobicContact CE2-CB 3.79Å; Y246-V503 HydrophobicContact CD2-CG2 4.19Å
247	R	90.7	Very high	89.1	Confident	127 Å²	127	43.6 Å²	43.6	48%	0.479	22%	0.218	S	C	.	.	H	α-helix	trans	-62.3	-49.6	178.9	-173.1	-173.4	-59	101.7	1.9	111.7	S243 S244 C249 R250 E251	S243-R247 WeakPolarHBondContact O-CB 3.16Å; S243-R247 PolarHBondContact O-N 2.96Å; S244-R247 PolarHBondContact O-N 3.48Å; R247-C249 VanDerWaalsContact C-N 3.26Å; R247-C249 PolarHBondContact O-N 3.49Å; R247-R250 PolarHBondContact O-N 2.72Å; R247-E251 WeakPolarHBondContact CG-OE1 3Å; R247-E251 WeakPolarHBondContact O-CG 3.43Å; R247-E251 PolarHBondContact O-N 2.7Å
248	S	90.9	Very high	89.4	Confident	11 Å²	11	46.3 Å²	46.3	8%	0.077	24%	0.237	C	C	.	.	H	α-helix	trans	-60.2	-38.1	179.5	-177.6	0	0	0	0	111.9	S244 L245 E251 H613	S244-S248 WeakPolarHBondContact O-CB 3.46Å; S244-S248 PolarHBondContact O-N 2.84Å; L245-S248 PolarHBondContact O-N 3.46Å; S248-E251 PolarHBondContact O-N 3.48Å; S248-H613 PolarHBondContact OG-CE1 3.45Å; S248-H613 VanDerWaalsContact OG-CE1 3.25Å
249	C	92.4	Very high	89.6	Confident	0 Å²	0	49 Å²	49	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-61.3	-44.3	172.1	174.5	0	0	0	0	111.6	L245 Y246 R247 E251 T252 R495 C499 F610	L245-C249 WeakPolarHBondContact O-CB 3.46Å; L245-C249 PolarHBondContact O-N 3.31Å; Y246-C249 PolarHBondContact O-N 3.3Å; R247-C249 VanDerWaalsContact C-N 3.26Å; R247-C249 PolarHBondContact O-N 3.49Å; C249-E251 VanDerWaalsContact C-N 3.26Å; C249-E251 PolarHBondContact O-N 2.89Å; C249-T252 WeakPolarHBondContact O-CG2 3.07Å; C249-T252 PolarHBondContact O-N 3.39Å; C249-T252 PolarHBondContact O-OG1 3.37Å; C249-T252 VanDerWaalsContact O-OG1 3.07Å; C249-R495 PolarHBondContact O-NH2 2.74Å; C249-R495 PolarHBondContact SG-NH2 3.22Å; C249-R495 VanDerWaalsContact SG-NH2 3.37Å; C249-C499 HydrophobicContact CB-CB 3.67Å; C249-C499 WeakPolarHBondContact CB-SG 3.37Å; C249-C499 WeakPolarHBondContact SG-CA 3.11Å; C249-C499 WeakPolarHBondContact SG-CB 3.11Å; C249-C499 CovalentContact SG-SG 2.05Å; C249-C499 PolarHBondContact SG-SG 2.7Å; C249-F610 VanDerWaalsContact CA-CD2 3.44Å; C249-F610 HydrophobicContact CB-CD2 3.84Å; C249-F610 HydrophobicContact CB-CE2 3.52Å; C249-F610 HydrophobicContact CB-CZ 4.09Å
250	R	89.6	Confident	89.8	Confident	120 Å²	120	47.5 Å²	47.5	45%	0.453	24%	0.242	S	C	.	.	H	α-helix	trans	-64.5	-33.7	179.7	-72.6	-171.2	64	-172.1	-1.6	112.6	Y246 R247 T252 C499	Y246-R250 HydrophobicContact CE1-CG 4.17Å; Y246-R250 PolarHBondContact O-N 2.78Å; Y246-R250 VanDerWaalsContact O-N 3.09Å; R247-R250 PolarHBondContact O-N 2.72Å; R250-T252 PolarHBondContact O-N 2.75Å; R250-C499 HydrophobicContact CG-CB 4.15Å; R250-C499 PolarHBondContact N-SG 3.49Å; R250-C499 VanDerWaalsContact N-SG 3.38Å
251	E	87.4	Confident	90	Very high	109 Å²	109	47.6 Å²	47.6	51%	0.509	24%	0.241	S	C	.	.	G	3₁₀ helix	trans	-71.3	-8.3	-179.6	-70.9	171.2	-177.4	0	0	114.4	R247 S248 C249 D253 V254	R247-E251 WeakPolarHBondContact CG-OE1 3Å; R247-E251 WeakPolarHBondContact O-CG 3.43Å; R247-E251 PolarHBondContact O-N 2.7Å; S248-E251 PolarHBondContact O-N 3.48Å; C249-E251 VanDerWaalsContact C-N 3.26Å; C249-E251 PolarHBondContact O-N 2.89Å; E251-D253 PolarHBondContact O-N 3.06Å; E251-D253 VanDerWaalsContact O-N 3.1Å; E251-V254 WeakPolarHBondContact O-CB 3.39Å; E251-V254 PolarHBondContact O-N 2.03Å
252	T	84.6	Confident	90.1	Very high	6 Å²	6	51.3 Å²	51.3	4%	0.037	26%	0.259	C	S	.	.	G	3₁₀ helix	trans	-62	-20.5	177.8	63	0	0	0	0	113.7	C249 R250 V254 L255 R495 F610	C249-T252 WeakPolarHBondContact O-CG2 3.07Å; C249-T252 PolarHBondContact O-N 3.39Å; C249-T252 PolarHBondContact O-OG1 3.37Å; C249-T252 VanDerWaalsContact O-OG1 3.07Å; R250-T252 PolarHBondContact O-N 2.75Å; T252-V254 PolarHBondContact O-N 3.39Å; T252-L255 VanDerWaalsContact O-CB 3.31Å; T252-L255 WeakPolarHBondContact O-CB 3.24Å; T252-L255 PolarHBondContact O-N 3.41Å; T252-R495 PolarHBondContact OG1-NH2 2.69Å; T252-F610 HydrophobicContact CG2-CB 3.48Å; T252-F610 VanDerWaalsContact CG2-CB 3.48Å; T252-F610 HydrophobicContact CG2-CD1 3.91Å; T252-F610 HydrophobicContact CG2-CG 3.79Å
253	D	80.6	Confident	90.1	Very high	84 Å²	84	51.5 Å²	51.5	45%	0.449	26%	0.26	S	S	.	.	G	3₁₀ helix	trans	-68.6	-20.1	175.7	-78.2	-7.3	0	0	0	112.7	E251 L255 R476 R495	E251-D253 PolarHBondContact O-N 3.06Å; E251-D253 VanDerWaalsContact O-N 3.1Å; D253-L255 VanDerWaalsContact C-N 3.33Å; D253-R476 IonicContact OD1-CZ 3.68Å; D253-R476 VanDerWaalsContact OD1-CZ 3.23Å; D253-R476 IonicContact OD1-NH1 3.86Å; D253-R476 PolarHBondContact OD1-NH1 3.06Å; D253-R476 VanDerWaalsContact OD1-NH1 3.15Å; D253-R476 IonicContact OD1-NH2 2.87Å; D253-R476 PolarHBondContact OD1-NH2 3.34Å; D253-R495 WeakPolarHBondContact OD1-CD 3.07Å; D253-R495 IonicContact OD1-NE 2.8Å; D253-R495 VanDerWaalsContact OD2-CD 3.27Å; D253-R495 WeakPolarHBondContact OD2-CD 3.32Å; D253-R495 WeakPolarHBondContact OD2-CG 3.36Å
254	V	83.2	Confident	90.1	Very high	96 Å²	96	50.5 Å²	50.5	58%	0.582	25%	0.253	S	S	*	.	G	3₁₀ helix	trans	-85.6	-7.9	176.9	-170.9	0	0	0	0	111.7	E251 T252 D256	E251-V254 WeakPolarHBondContact O-CB 3.39Å; E251-V254 PolarHBondContact O-N 2.03Å; T252-V254 PolarHBondContact O-N 3.39Å; V254-D256 PolarHBondContact O-N 3.1Å
255	L	86.9	Confident	90.2	Very high	13 Å²	13	54.1 Å²	54.1	7%	0.068	27%	0.266	C	S	.	.			trans	-73.9	117.7	-177	-175	63.7	0	0	0	111.3	T252 D253 Q259 S260 L263 S472 F609	T252-L255 VanDerWaalsContact O-CB 3.31Å; T252-L255 WeakPolarHBondContact O-CB 3.24Å; T252-L255 PolarHBondContact O-N 3.41Å; D253-L255 VanDerWaalsContact C-N 3.33Å; L255-Q259 HydrophobicContact CD1-CB 3.57Å; L255-S260 WeakPolarHBondContact CD2-OG 3.05Å; L255-S260 WeakPolarHBondContact CG-OG 3.26Å; L255-L263 HydrophobicContact CD1-CD1 4.35Å; L255-L263 HydrophobicContact CD2-CD1 4.38Å; L255-S472 WeakPolarHBondContact O-CA 3.25Å; L255-S472 WeakPolarHBondContact O-CB 3.45Å; L255-F609 HydrophobicContact CD1-CD1 3.37Å; L255-F609 HydrophobicContact CD1-CE1 3.32Å; L255-F609 HydrophobicContact CD1-CG 4.25Å; L255-F609 HydrophobicContact CD1-CZ 4.17Å
256	D	90.8	Very high	90.1	Very high	100 Å²	100	60.2 Å²	60.2	54%	0.535	29%	0.289	S	S	.	.			trans	-75.3	155.7	177.3	-71.1	-34	0	0	0	112.3	V254 S258 Q259 S260	V254-D256 PolarHBondContact O-N 3.1Å; D256-S258 VanDerWaalsContact C-N 3.33Å; D256-S258 PolarHBondContact O-N 2.83Å; D256-Q259 HydrophobicContact CB-CG 4.48Å; D256-Q259 PolarHBondContact O-N 3.42Å; D256-S260 PolarHBondContact O-N 2.94Å; D256-S260 PolarHBondContact O-OG 2.68Å
257	K	92.3	Very high	90	Very high	66 Å²	66	59.5 Å²	59.5	29%	0.287	29%	0.288	S	S	.	.	H	α-helix	trans	-54.5	-45.2	175.8	-176.1	177.9	173.7	174.2	0	112.8	Q259 S260 D261 N358 E474 Y475	K257-Q259 VanDerWaalsContact C-N 3.27Å; K257-Q259 PolarHBondContact O-N 3.38Å; K257-S260 WeakPolarHBondContact O-CB 3.5Å; K257-S260 PolarHBondContact O-N 3.26Å; K257-S260 VanDerWaalsContact O-N 3.1Å; K257-D261 PolarHBondContact O-N 3.43Å; K257-N358 WeakPolarHBondContact CE-O 3.48Å; K257-N358 PolarHBondContact NZ-O 3.41Å; K257-N358 PolarHBondContact NZ-OD1 2.96Å; K257-E474 HydrophobicContact CD-CB 4.48Å; K257-E474 HydrophobicContact CD-CG 4.28Å; K257-Y475 HydrophobicContact CG-CE2 4.49Å
258	S	92.4	Very high	90	Very high	83 Å²	83	53.8 Å²	53.8	58%	0.58	27%	0.267	S	S	*	.	H	α-helix	trans	-63.6	-33.8	-178	54.9	0	0	0	0	112.9	D256 L262	D256-S258 VanDerWaalsContact C-N 3.33Å; D256-S258 PolarHBondContact O-N 2.83Å; S258-L262 PolarHBondContact O-N 3.02Å; S258-L262 VanDerWaalsContact O-N 3.13Å
259	Q	92.6	Very high	89.9	Confident	68 Å²	68	57.5 Å²	57.5	32%	0.318	29%	0.286	S	S	.	.	H	α-helix	trans	-69.5	-42.1	174	-66.9	177.1	-34.6	0	0	110.3	L255 D256 K257 L262 L263 F609	L255-Q259 HydrophobicContact CD1-CB 3.57Å; D256-Q259 HydrophobicContact CB-CG 4.48Å; D256-Q259 PolarHBondContact O-N 3.42Å; K257-Q259 VanDerWaalsContact C-N 3.27Å; K257-Q259 PolarHBondContact O-N 3.38Å; Q259-L262 WeakPolarHBondContact O-CB 3.49Å; Q259-L262 PolarHBondContact O-N 2.98Å; Q259-L263 VanDerWaalsContact O-CG 3.27Å; Q259-L263 WeakPolarHBondContact O-CG 3.35Å; Q259-L263 PolarHBondContact O-N 3.4Å; Q259-F609 HydrophobicContact CB-CZ 4.25Å; Q259-F609 HydrophobicContact CG-CZ 4.26Å
260	S	93.2	Very high	89.7	Confident	0 Å²	0	59 Å²	59	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-61.4	-43.5	174.4	-64.3	0	0	0	0	112.8	L255 D256 K257 L262 L263 L264 S472	L255-S260 WeakPolarHBondContact CD2-OG 3.05Å; L255-S260 WeakPolarHBondContact CG-OG 3.26Å; D256-S260 PolarHBondContact O-N 2.94Å; D256-S260 PolarHBondContact O-OG 2.68Å; K257-S260 WeakPolarHBondContact O-CB 3.5Å; K257-S260 PolarHBondContact O-N 3.26Å; K257-S260 VanDerWaalsContact O-N 3.1Å; S260-L262 VanDerWaalsContact C-N 3.3Å; S260-L262 PolarHBondContact O-N 3.09Å; S260-L263 PolarHBondContact O-N 2.95Å; S260-L264 WeakPolarHBondContact O-CB 3.24Å; S260-L264 PolarHBondContact O-N 2.87Å; S260-S472 VanDerWaalsContact OG-CB 3.22Å; S260-S472 WeakPolarHBondContact OG-CB 3.48Å; S260-S472 PolarHBondContact OG-N 2.86Å; S260-S472 PolarHBondContact OG-OG 2.83Å
261	D	92.8	Very high	89.6	Confident	29 Å²	29	53.3 Å²	53.3	16%	0.155	28%	0.277	C	S	.	.	H	α-helix	trans	-60.2	-40.9	175.5	-69.9	-5.9	0	0	0	111.4	K257 K265 Y475	K257-D261 PolarHBondContact O-N 3.43Å; D261-K265 VanDerWaalsContact O-CB 3.27Å; D261-K265 WeakPolarHBondContact O-CB 3.37Å; D261-K265 WeakPolarHBondContact O-CD 3.37Å; D261-K265 WeakPolarHBondContact O-CG 3.2Å; D261-K265 PolarHBondContact O-N 2.81Å; D261-Y475 WeakPolarHBondContact OD1-CE2 3.45Å; D261-Y475 PolarHBondContact OD1-OH 3.06Å
262	L	92.4	Very high	89.6	Confident	100 Å²	100	54.2 Å²	54.2	52%	0.524	28%	0.277	S	S	.	.	H	α-helix	trans	-63.7	-44.4	176.3	-178.1	71.4	0	0	0	111.4	S258 Q259 S260 K265 R266	S258-L262 PolarHBondContact O-N 3.02Å; S258-L262 VanDerWaalsContact O-N 3.13Å; Q259-L262 WeakPolarHBondContact O-CB 3.49Å; Q259-L262 PolarHBondContact O-N 2.98Å; S260-L262 VanDerWaalsContact C-N 3.3Å; S260-L262 PolarHBondContact O-N 3.09Å; L262-K265 PolarHBondContact O-N 2.91Å; L262-R266 WeakPolarHBondContact O-CB 3.41Å; L262-R266 PolarHBondContact O-N 3.38Å
263	L	92.6	Very high	89.5	Confident	5 Å²	5	54.1 Å²	54.1	3%	0.026	28%	0.277	C	S	.	.	H	α-helix	trans	-64.6	-45.2	179.3	-68.7	164.1	0	0	0	111.3	L255 Q259 S260 R266 A267 F609 V611 E612	L255-L263 HydrophobicContact CD1-CD1 4.35Å; L255-L263 HydrophobicContact CD2-CD1 4.38Å; Q259-L263 VanDerWaalsContact O-CG 3.27Å; Q259-L263 WeakPolarHBondContact O-CG 3.35Å; Q259-L263 PolarHBondContact O-N 3.4Å; S260-L263 PolarHBondContact O-N 2.95Å; L263-R266 WeakPolarHBondContact O-CB 3.45Å; L263-R266 PolarHBondContact O-N 2.91Å; L263-A267 PolarHBondContact O-N 3.37Å; L263-F609 HydrophobicContact CD1-CB 3.87Å; L263-F609 HydrophobicContact CD1-CD1 4.43Å; L263-F609 HydrophobicContact CD1-CD2 3.77Å; L263-F609 HydrophobicContact CD1-CE2 4.38Å; L263-F609 HydrophobicContact CD1-CG 3.77Å; L263-F609 HydrophobicContact CD2-CD2 3.85Å; L263-F609 HydrophobicContact CD2-CG 4.5Å; L263-F609 HydrophobicContact CG-CD2 4.28Å; L263-V611 HydrophobicContact CB-CG1 4.31Å; L263-V611 HydrophobicContact CD1-CG1 3.77Å; L263-V611 HydrophobicContact CD2-CG1 4.38Å; L263-V611 HydrophobicContact CG-CG1 4.37Å; L263-E612 HydrophobicContact CD2-CG 4.07Å
264	L	92.4	Very high	89.7	Confident	1 Å²	1	50.8 Å²	50.8	1%	0.005	26%	0.258	C	S	.	.	H	α-helix	trans	-60.8	-48.3	173.3	-81.5	169.3	0	0	0	111.6	S260 R266 A267 I268 F355 M359 A464 M467 L471 Y475	S260-L264 WeakPolarHBondContact O-CB 3.24Å; S260-L264 PolarHBondContact O-N 2.87Å; L264-R266 VanDerWaalsContact C-N 3.28Å; L264-R266 PolarHBondContact O-N 2.94Å; L264-A267 PolarHBondContact O-N 3.4Å; L264-I268 WeakPolarHBondContact O-CB 3.4Å; L264-I268 WeakPolarHBondContact O-CG1 3.34Å; L264-I268 PolarHBondContact O-N 2.97Å; L264-F355 HydrophobicContact CD1-CE2 4.18Å; L264-M359 HydrophobicContact CB-CE 4.27Å; L264-M359 HydrophobicContact CB-SD 4.13Å; L264-M359 HydrophobicContact CD1-SD 3.77Å; L264-A464 HydrophobicContact CD2-CB 4.26Å; L264-M467 HydrophobicContact CD2-CB 4.3Å; L264-M467 HydrophobicContact CD2-CE 4.42Å; L264-M467 HydrophobicContact CD2-SD 4.02Å; L264-L471 HydrophobicContact CD1-CD1 3.6Å; L264-L471 HydrophobicContact CD2-CD1 3.91Å; L264-L471 HydrophobicContact CG-CD1 3.65Å; L264-Y475 HydrophobicContact CD1-CD1 4.21Å; L264-Y475 HydrophobicContact CD1-CE1 3.61Å; L264-Y475 HydrophobicContact CD1-CE2 3.99Å; L264-Y475 VanDerWaalsContact CD1-CZ 3.49Å
265	K	91	Very high	89.4	Confident	95 Å²	95	48.8 Å²	48.8	41%	0.413	24%	0.242	S	C	.	.	H	α-helix	trans	-59.8	-38.6	177	-75.6	169.1	-176.8	170.5	0	111.8	D261 L262 N269 M359	D261-K265 VanDerWaalsContact O-CB 3.27Å; D261-K265 WeakPolarHBondContact O-CB 3.37Å; D261-K265 WeakPolarHBondContact O-CD 3.37Å; D261-K265 WeakPolarHBondContact O-CG 3.2Å; D261-K265 PolarHBondContact O-N 2.81Å; L262-K265 PolarHBondContact O-N 2.91Å; K265-N269 WeakPolarHBondContact O-CB 3.38Å; K265-N269 PolarHBondContact O-N 2.56Å; K265-N269 PolarHBondContact O-ND2 3.33Å; K265-N269 VanDerWaalsContact O-ND2 3.09Å; K265-M359 HydrophobicContact CG-CE 4.34Å
266	R	90.9	Very high	88.8	Confident	129 Å²	129	49.4 Å²	49.4	49%	0.487	25%	0.249	S	C	.	.	H	α-helix	trans	-63.2	-48.7	175.3	-175.7	-173.8	-64.3	164.9	0.6	111.2	L262 L263 L264 N269 A270 E612	L262-R266 WeakPolarHBondContact O-CB 3.41Å; L262-R266 PolarHBondContact O-N 3.38Å; L263-R266 WeakPolarHBondContact O-CB 3.45Å; L263-R266 PolarHBondContact O-N 2.91Å; L264-R266 VanDerWaalsContact C-N 3.28Å; L264-R266 PolarHBondContact O-N 2.94Å; R266-N269 PolarHBondContact O-N 3.47Å; R266-A270 PolarHBondContact O-N 3.41Å; R266-E612 IonicContact NH1-OE1 2.98Å; R266-E612 PolarHBondContact NH1-OE1 3.14Å
267	A	91.3	Very high	87.7	Confident	7 Å²	7	48.2 Å²	48.2	6%	0.058	24%	0.239	C	C	.	.	H	α-helix	trans	-61.9	-44.5	177.9	0	0	0	0	0	111.5	L263 L264 N269 A270 V271 L463 M467	L263-A267 PolarHBondContact O-N 3.37Å; L264-A267 PolarHBondContact O-N 3.4Å; A267-N269 PolarHBondContact O-N 3.43Å; A267-A270 WeakPolarHBondContact O-CB 3.37Å; A267-A270 PolarHBondContact O-N 2.89Å; A267-A270 VanDerWaalsContact O-N 3.13Å; A267-V271 PolarHBondContact O-N 2.84Å; A267-L463 HydrophobicContact CB-CD2 4.04Å; A267-M467 HydrophobicContact CB-CE 3.98Å; A267-M467 HydrophobicContact CB-SD 3.64Å
268	I	90.6	Very high	86.1	Confident	7 Å²	7	54.7 Å²	54.7	4%	0.036	26%	0.262	C	S	.	.	H	α-helix	trans	-60.5	-43.9	175.5	-71.5	168.2	0	0	0	111.6	L264 A270 V271 G273 W274 M359 V460	L264-I268 WeakPolarHBondContact O-CB 3.4Å; L264-I268 WeakPolarHBondContact O-CG1 3.34Å; L264-I268 PolarHBondContact O-N 2.97Å; I268-A270 VanDerWaalsContact C-N 3.26Å; I268-A270 PolarHBondContact O-N 3.34Å; I268-V271 CarbonylContact O-C 3.52Å; I268-V271 WeakPolarHBondContact O-CG2 3.41Å; I268-V271 PolarHBondContact O-N 3.37Å; I268-V271 VanDerWaalsContact O-N 3.16Å; I268-G273 WeakPolarHBondContact O-CA 3.4Å; I268-G273 PolarHBondContact O-N 2.9Å; I268-W274 HydrophobicContact CD1-CE3 4.03Å; I268-W274 HydrophobicContact CG2-CB 3.53Å; I268-M359 HydrophobicContact CD1-CE 3.69Å; I268-V460 HydrophobicContact CD1-CG1 4.07Å; I268-V460 HydrophobicContact CG1-CG1 3.95Å
269	N	88.9	Confident	84.5	Confident	89 Å²	89	55.9 Å²	55.9	48%	0.476	26%	0.262	S	S	.	.	H	α-helix	trans	-65.6	-30.7	176.9	-72.7	-29.8	0	0	0	112.1	K265 R266 A267 V271 Y272 R282	K265-N269 WeakPolarHBondContact O-CB 3.38Å; K265-N269 PolarHBondContact O-N 2.56Å; K265-N269 PolarHBondContact O-ND2 3.33Å; K265-N269 VanDerWaalsContact O-ND2 3.09Å; R266-N269 PolarHBondContact O-N 3.47Å; A267-N269 PolarHBondContact O-N 3.43Å; N269-V271 PolarHBondContact O-N 2.89Å; N269-Y272 PolarHBondContact O-N 3.24Å; N269-R282 PolarHBondContact OD1-NH1 3.26Å
270	A	86.8	Confident	82.5	Confident	32 Å²	32	57.5 Å²	57.5	26%	0.264	28%	0.28	S	S	.	.	H	α-helix	trans	-66	-24.9	175	0	0	0	0	0	112.9	R266 A267 I268	R266-A270 PolarHBondContact O-N 3.41Å; A267-A270 WeakPolarHBondContact O-CB 3.37Å; A267-A270 PolarHBondContact O-N 2.89Å; A267-A270 VanDerWaalsContact O-N 3.13Å; I268-A270 VanDerWaalsContact C-N 3.26Å; I268-A270 PolarHBondContact O-N 3.34Å
271	V	88.2	Confident	80.6	Confident	1 Å²	1	63.8 Å²	63.8	1%	0.006	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.6	30.4	173.9	-63	0	0	0	0	112.6	A267 I268 N269 G273 V291 L295 L463	A267-V271 PolarHBondContact O-N 2.84Å; I268-V271 CarbonylContact O-C 3.52Å; I268-V271 WeakPolarHBondContact O-CG2 3.41Å; I268-V271 PolarHBondContact O-N 3.37Å; I268-V271 VanDerWaalsContact O-N 3.16Å; N269-V271 PolarHBondContact O-N 2.89Å; V271-G273 VanDerWaalsContact C-N 3.28Å; V271-G273 PolarHBondContact O-N 3.31Å; V271-V291 HydrophobicContact CB-CG1 3.95Å; V271-L295 HydrophobicContact CG1-CB 4.41Å; V271-L295 HydrophobicContact CG1-CD1 4Å; V271-L463 HydrophobicContact CG1-CD2 4.19Å; V271-L463 HydrophobicContact CG2-CD2 3.75Å
272	Y	86.1	Confident	79	Confident	128 Å²	128	68.8 Å²	68.8	50%	0.502	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	66.2	20.2	176.4	-53.8	-86.9	0	0	0	115.4	N269 V291 V294	N269-Y272 PolarHBondContact O-N 3.24Å; Y272-V291 HydrophobicContact CD2-CG2 3.66Å; Y272-V291 HydrophobicContact CE2-CG2 4.45Å; Y272-V291 HydrophobicContact CG-CG2 4.38Å; Y272-V294 HydrophobicContact CE2-CG2 4.18Å
273	G	83.7	Confident	77.3	Confident	4 Å²	4	66 Å²	66	4%	0.041	32%	0.316	C	S	.	.			trans	93.4	175.1	169.5	0	0	0	0	0	115.4	I268 V271 N456	I268-G273 WeakPolarHBondContact O-CA 3.4Å; I268-G273 PolarHBondContact O-N 2.9Å; V271-G273 VanDerWaalsContact C-N 3.28Å; V271-G273 PolarHBondContact O-N 3.31Å; G273-N456 PolarHBondContact O-ND2 3.44Å; G273-N456 VanDerWaalsContact O-ND2 3.13Å
274	W	85.1	Confident	76.1	Confident	14 Å²	14	74.1 Å²	74.1	5%	0.053	35%	0.354	C	S	.	.			trans	-125.8	131.8	-177.1	-177.8	29.1	0	0	0	111.4	I268 A276 F277 F355 M359 I361 F369 N456 N457 V460	I268-W274 HydrophobicContact CD1-CE3 4.03Å; I268-W274 HydrophobicContact CG2-CB 3.53Å; W274-A276 VanDerWaalsContact C-N 3.34Å; W274-A276 HydrophobicContact CD2-CB 3.81Å; W274-A276 HydrophobicContact CE3-CB 4.41Å; W274-A276 HydrophobicContact CG-CB 4.31Å; W274-A276 HydrophobicContact CH2-CB 4.04Å; W274-A276 HydrophobicContact CZ2-CB 3.36Å; W274-A276 PolarHBondContact O-N 2.88Å; W274-F277 HydrophobicContact CD2-CE2 4.38Å; W274-F277 HydrophobicContact CE3-CD2 4.03Å; W274-F277 AromaticContact CE3-CE2 3.42Å; W274-F277 HydrophobicContact CE3-CE2 3.42Å; W274-F277 VanDerWaalsContact CE3-CE2 3.42Å; W274-F277 HydrophobicContact CE3-CZ 4.06Å; W274-F277 AromaticContact CZ3-CE2 3.8Å; W274-F277 HydrophobicContact CZ3-CE2 3.8Å; W274-F277 AromaticContact CZ3-CZ 3.94Å; W274-F277 HydrophobicContact CZ3-CZ 3.94Å; W274-F355 AromaticContact CH2-CE1 3.92Å; W274-F355 HydrophobicContact CH2-CE1 3.92Å; W274-F355 HydrophobicContact CZ2-CE1 4.5Å; W274-F355 HydrophobicContact CZ3-CE1 4.39Å; W274-M359 HydrophobicContact CE3-CE 4.36Å; W274-M359 HydrophobicContact CH2-CB 4.44Å; W274-M359 HydrophobicContact CZ3-CB 4.01Å; W274-M359 HydrophobicContact CZ3-CE 4.01Å; W274-M359 HydrophobicContact CZ3-CG 4.17Å; W274-I361 HydrophobicContact CH2-CD1 3.42Å; W274-I361 VanDerWaalsContact CH2-CD1 3.42Å; W274-I361 HydrophobicContact CZ2-CD1 3.83Å; W274-I361 HydrophobicContact CZ3-CD1 4.14Å; W274-F369 AromaticContact CE2-CE2 3.92Å; W274-F369 HydrophobicContact CH2-CE2 4.49Å; W274-F369 HydrophobicContact CH2-CZ 4.28Å; W274-F369 HydrophobicContact CZ2-CD2 4.06Å; W274-F369 HydrophobicContact CZ2-CE1 4.28Å; W274-F369 AromaticContact CZ2-CE2 3.37Å; W274-F369 HydrophobicContact CZ2-CE2 3.37Å; W274-F369 AromaticContact CZ2-CZ 3.47Å; W274-F369 HydrophobicContact CZ2-CZ 3.47Å; W274-F369 VanDerWaalsContact CZ2-CZ 3.47Å; W274-F369 AromaticContact NE1-CE2 3.86Å; W274-N456 WeakPolarHBondContact CA-OD1 3.44Å; W274-N457 PolarHBondContact NE1-OD1 3.36Å; W274-V460 HydrophobicContact CB-CB 4.48Å; W274-V460 HydrophobicContact CB-CG1 4.03Å; W274-V460 HydrophobicContact CB-CG2 3.92Å; W274-V460 HydrophobicContact CD2-CG1 3.79Å; W274-V460 HydrophobicContact CE3-CG1 4.31Å; W274-V460 HydrophobicContact CG-CB 4.11Å; W274-V460 HydrophobicContact CG-CG1 3.64Å; W274-V460 HydrophobicContact CG-CG2 4.01Å
275	Q	77.4	Confident	75.2	Confident	54 Å²	54	79 Å²	79	25%	0.252	39%	0.389	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.8	-19.2	-175.6	173.8	161.2	3.7	0	0	114.4	F277 L283 K453 N456	Q275-F277 PolarHBondContact O-N 3.46Å; Q275-F277 VanDerWaalsContact O-N 3.1Å; Q275-L283 HydrophobicContact CB-CD1 4.02Å; Q275-L283 HydrophobicContact CB-CD2 4.28Å; Q275-L283 HydrophobicContact CG-CD1 3.58Å; Q275-K453 HydrophobicContact CG-CG 4.21Å; Q275-K453 VanDerWaalsContact OE1-CB 3.27Å; Q275-N456 WeakPolarHBondContact CB-OD1 3.17Å; Q275-N456 PolarHBondContact N-OD1 3.21Å
276	A	73.4	Confident	75	Confident	26 Å²	26	74.8 Å²	74.8	22%	0.215	37%	0.37	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-19.4	-177.1	0	0	0	0	0	113.3	W274 I361	W274-A276 VanDerWaalsContact C-N 3.34Å; W274-A276 HydrophobicContact CD2-CB 3.81Å; W274-A276 HydrophobicContact CE3-CB 4.41Å; W274-A276 HydrophobicContact CG-CB 4.31Å; W274-A276 HydrophobicContact CH2-CB 4.04Å; W274-A276 HydrophobicContact CZ2-CB 3.36Å; W274-A276 PolarHBondContact O-N 2.88Å; A276-I361 HydrophobicContact CB-CD1 3.59Å
277	F	68.3	Low	75	Confident	74 Å²	74	73 Å²	73	33%	0.325	37%	0.367	S	S	.	.	S	Bend	trans	-85.8	133.5	171.4	-61.5	-65.5	0	0	0	111.3	W274 Q275 D279 M359 I361	W274-F277 HydrophobicContact CD2-CE2 4.38Å; W274-F277 HydrophobicContact CE3-CD2 4.03Å; W274-F277 AromaticContact CE3-CE2 3.42Å; W274-F277 HydrophobicContact CE3-CE2 3.42Å; W274-F277 VanDerWaalsContact CE3-CE2 3.42Å; W274-F277 HydrophobicContact CE3-CZ 4.06Å; W274-F277 AromaticContact CZ3-CE2 3.8Å; W274-F277 HydrophobicContact CZ3-CE2 3.8Å; W274-F277 AromaticContact CZ3-CZ 3.94Å; W274-F277 HydrophobicContact CZ3-CZ 3.94Å; Q275-F277 PolarHBondContact O-N 3.46Å; Q275-F277 VanDerWaalsContact O-N 3.1Å; F277-D279 PolarHBondContact O-N 3.2Å; F277-M359 WeakPolarHBondContact CE1-O 3.31Å; F277-M359 HydrophobicContact CE2-CE 4.29Å; F277-M359 HydrophobicContact CZ-CB 4.34Å; F277-M359 HydrophobicContact CZ-CE 4.13Å; F277-M359 WeakPolarHBondContact CZ-O 3.44Å; F277-I361 HydrophobicContact CE1-CG1 4.48Å
278	R	58.1	Low	75	Confident	203 Å²	203	74.7 Å²	74.7	77%	0.766	37%	0.372	S	S	*	.	S	Bend	trans	-65.1	13.3	-173.9	-69.1	-176.7	175.1	-165.6	-1.7	116.2	S280 E365	R278-S280 VanDerWaalsContact C-N 3.28Å; R278-S280 PolarHBondContact O-N 2.78Å; R278-E365 IonicContact CZ-OE1 3.15Å; R278-E365 IonicContact NE-OE1 3.93Å; R278-E365 IonicContact NH2-OE1 2.76Å; R278-E365 PolarHBondContact NH2-OE1 2.57Å
279	D	58.9	Low	75.3	Confident	108 Å²	108	78.4 Å²	78.4	58%	0.578	39%	0.388	S	S	*	.			trans	-72.7	84.6	173.1	-94.1	-7.6	0	0	0	110	F277 N281 R282	F277-D279 PolarHBondContact O-N 3.2Å; D279-N281 PolarHBondContact O-N 3.11Å; D279-R282 PolarHBondContact O-N 3.01Å; D279-R282 IonicContact OD2-NE 2.72Å; D279-R282 IonicContact OD2-NH2 2.73Å
280	S	50.4	Low	75.5	Confident	101 Å²	101	81.2 Å²	81.2	71%	0.706	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.6	-4.4	-163.7	57	0	0	0	0	116.7	R278	R278-S280 VanDerWaalsContact C-N 3.28Å; R278-S280 PolarHBondContact O-N 2.78Å
281	N	53.8	Low	75.9	Confident	133 Å²	133	79.8 Å²	79.8	71%	0.711	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.9	-2.5	-175.7	-71.4	-7.1	0	0	0	114.9	D279 L283	D279-N281 PolarHBondContact O-N 3.11Å; N281-L283 VanDerWaalsContact C-N 3.32Å; N281-L283 PolarHBondContact O-N 2.91Å
282	R	58.7	Low	76.3	Confident	134 Å²	134	79.7 Å²	79.7	51%	0.506	38%	0.38	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.1	-11.7	-175.2	-69.5	-173.7	179.4	-158.7	1	115.2	N269 D279	N269-R282 PolarHBondContact OD1-NH1 3.26Å; D279-R282 PolarHBondContact O-N 3.01Å; D279-R282 IonicContact OD2-NE 2.72Å; D279-R282 IonicContact OD2-NH2 2.73Å
283	L	57.5	Low	76.8	Confident	42 Å²	42	74.8 Å²	74.8	22%	0.22	36%	0.363	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.7	-12.4	-166.5	-73.7	165.8	0	0	0	116.3	Q275 N281 S285 W286 K452	Q275-L283 HydrophobicContact CB-CD1 4.02Å; Q275-L283 HydrophobicContact CB-CD2 4.28Å; Q275-L283 HydrophobicContact CG-CD1 3.58Å; N281-L283 VanDerWaalsContact C-N 3.32Å; N281-L283 PolarHBondContact O-N 2.91Å; L283-S285 VanDerWaalsContact C-N 3.25Å; L283-S285 PolarHBondContact O-N 3.44Å; L283-W286 HydrophobicContact CD2-CB 4.03Å; L283-W286 HydrophobicContact CD2-CG 4.23Å; L283-W286 PolarHBondContact O-N 3.3Å; L283-K452 PolarHBondContact O-NZ 3.46Å
284	Q	66.7	Low	77.4	Confident	175 Å²	175	76.5 Å²	76.5	82%	0.818	37%	0.372	S	S	*	.	S	Bend	trans	-61.5	-40.1	-178.1	-70.7	-167.2	-7.6	0	0	110.9
285	S	72.8	Confident	77.9	Confident	104 Å²	104	75.8 Å²	75.8	73%	0.727	37%	0.37	S	S	*	.	S	Bend	trans	-93.4	-0.9	177.7	55.9	0	0	0	0	114.9	L283 E287	L283-S285 VanDerWaalsContact C-N 3.25Å; L283-S285 PolarHBondContact O-N 3.44Å; S285-E287 PolarHBondContact O-N 2.95Å
286	W	86.8	Confident	78.8	Confident	6 Å²	6	73.2 Å²	73.2	2%	0.023	36%	0.358	C	S	.	.			trans	-75.4	126.1	-178.4	-171.6	91.4	0	0	0	111	L283 V291 K452 I455 N456 I459	L283-W286 HydrophobicContact CD2-CB 4.03Å; L283-W286 HydrophobicContact CD2-CG 4.23Å; L283-W286 PolarHBondContact O-N 3.3Å; W286-V291 HydrophobicContact CD2-CG2 4.4Å; W286-V291 HydrophobicContact CZ2-CB 4.24Å; W286-V291 HydrophobicContact CZ2-CG1 4.25Å; W286-V291 HydrophobicContact CZ2-CG2 3.82Å; W286-V291 VanDerWaalsContact NE1-CG2 3.31Å; W286-K452 HydrophobicContact CE3-CB 4.3Å; W286-K452 HydrophobicContact CE3-CD 4.35Å; W286-K452 HydrophobicContact CE3-CG 4.47Å; W286-K452 HydrophobicContact CZ3-CB 4.26Å; W286-K452 PolarHBondContact O-NZ 3.3Å; W286-I455 HydrophobicContact CH2-CB 4.4Å; W286-I455 HydrophobicContact CH2-CG2 3.96Å; W286-I455 HydrophobicContact CZ3-CG2 4.44Å; W286-N456 VanDerWaalsContact CE2-ND2 3.3Å; W286-N456 HydrophobicContact CH2-CB 3.74Å; W286-N456 HydrophobicContact CZ2-CB 3.83Å; W286-N456 VanDerWaalsContact CZ2-ND2 3.31Å; W286-N456 WeakPolarHBondContact CZ2-ND2 3.48Å; W286-N456 HydrophobicContact CZ3-CB 4.18Å; W286-N456 PolarHBondContact NE1-ND2 2.96Å; W286-I459 HydrophobicContact CH2-CD1 4.32Å; W286-I459 HydrophobicContact CZ2-CD1 4.41Å
287	E	90.3	Very high	79.9	Confident	92 Å²	92	72.4 Å²	72.4	43%	0.43	35%	0.351	S	S	.	.			trans	-128.9	116	-179.3	-71.6	-179.7	-178.5	0	0	110	S285 K289 R290 V291	S285-E287 PolarHBondContact O-N 2.95Å; E287-K289 PolarHBondContact O-N 3.44Å; E287-K289 VanDerWaalsContact O-N 3.17Å; E287-R290 HydrophobicContact CB-CG 4.42Å; E287-R290 PolarHBondContact O-N 3.07Å; E287-R290 IonicContact OE1-NH2 3.62Å; E287-R290 IonicContact OE2-CZ 3.65Å; E287-R290 IonicContact OE2-NE 2.65Å; E287-R290 PolarHBondContact OE2-NE 3.12Å; E287-R290 IonicContact OE2-NH2 3.87Å; E287-R290 PolarHBondContact OE2-NH2 2.94Å; E287-R290 VanDerWaalsContact OE2-NH2 3.15Å; E287-V291 VanDerWaalsContact O-CG2 3.24Å; E287-V291 WeakPolarHBondContact O-CG2 3.36Å; E287-V291 PolarHBondContact O-N 3.49Å
288	Y	93	Very high	81.1	Confident	41 Å²	41	72.7 Å²	72.7	16%	0.161	35%	0.352	C	S	.	.	H	α-helix	trans	-58.1	-33	-177.9	68.5	-94.7	0	0	0	112.6	R290 V291 L292 S410 L447 I455	Y288-R290 PolarHBondContact O-N 3.47Å; Y288-V291 PolarHBondContact O-N 3.32Å; Y288-L292 HydrophobicContact CD2-CD1 4Å; Y288-L292 WeakPolarHBondContact O-CB 3.27Å; Y288-L292 VanDerWaalsContact O-CG 3.28Å; Y288-L292 WeakPolarHBondContact O-CG 3.17Å; Y288-L292 PolarHBondContact O-N 2.99Å; Y288-S410 VanDerWaalsContact CE2-O 3.31Å; Y288-S410 WeakPolarHBondContact CE2-O 3.36Å; Y288-S410 WeakPolarHBondContact OH-CB 3.09Å; Y288-S410 PolarHBondContact OH-O 3.16Å; Y288-L447 HydrophobicContact CD2-CD2 4.39Å; Y288-L447 HydrophobicContact CE2-CB 4.35Å; Y288-L447 HydrophobicContact CE2-CD1 4.12Å; Y288-L447 HydrophobicContact CE2-CD2 4.43Å; Y288-I455 HydrophobicContact CD1-CD1 4.27Å; Y288-I455 HydrophobicContact CG-CG2 4.21Å
289	K	95.4	Very high	82.7	Confident	85 Å²	85	63.7 Å²	63.7	37%	0.37	32%	0.319	S	S	.	.	H	α-helix	trans	-57.9	-48.4	179.4	-67	-170.4	178.5	-166.2	0	112.2	E287 V291 L292 V293 P409 S410 P412	E287-K289 PolarHBondContact O-N 3.44Å; E287-K289 VanDerWaalsContact O-N 3.17Å; K289-V291 VanDerWaalsContact C-N 3.33Å; K289-V291 PolarHBondContact O-N 3.25Å; K289-L292 PolarHBondContact O-N 2.97Å; K289-V293 WeakPolarHBondContact O-CG2 3.23Å; K289-V293 PolarHBondContact O-N 3.44Å; K289-P409 PolarHBondContact NZ-O 3.14Å; K289-S410 WeakPolarHBondContact CE-O 3.49Å; K289-P412 HydrophobicContact CB-CB 4.13Å; K289-P412 HydrophobicContact CB-CG 4.25Å; K289-P412 HydrophobicContact CG-CB 4.46Å
290	R	94.6	Very high	84.5	Confident	149 Å²	149	58.7 Å²	58.7	56%	0.562	29%	0.292	S	S	*	.	H	α-helix	trans	-66.2	-38.9	177.7	-60.1	-174.6	-161.6	-164.9	2.7	111.6	E287 Y288 V293 V294	E287-R290 HydrophobicContact CB-CG 4.42Å; E287-R290 PolarHBondContact O-N 3.07Å; E287-R290 IonicContact OE1-NH2 3.62Å; E287-R290 IonicContact OE2-CZ 3.65Å; E287-R290 IonicContact OE2-NE 2.65Å; E287-R290 PolarHBondContact OE2-NE 3.12Å; E287-R290 IonicContact OE2-NH2 3.87Å; E287-R290 PolarHBondContact OE2-NH2 2.94Å; E287-R290 VanDerWaalsContact OE2-NH2 3.15Å; Y288-R290 PolarHBondContact O-N 3.47Å; R290-V293 PolarHBondContact O-N 2.76Å; R290-V294 WeakPolarHBondContact O-CG2 3.44Å; R290-V294 PolarHBondContact O-N 3.16Å; R290-V294 VanDerWaalsContact O-N 3.09Å
291	V	94.8	Very high	86.6	Confident	1 Å²	1	54 Å²	54	1%	0.006	26%	0.259	C	S	.	.	H	α-helix	trans	-64.8	-43.3	-179.5	-179	0	0	0	0	110.7	V271 Y272 W286 E287 Y288 K289 V294 L295 I459	V271-V291 HydrophobicContact CB-CG1 3.95Å; Y272-V291 HydrophobicContact CD2-CG2 3.66Å; Y272-V291 HydrophobicContact CE2-CG2 4.45Å; Y272-V291 HydrophobicContact CG-CG2 4.38Å; W286-V291 HydrophobicContact CD2-CG2 4.4Å; W286-V291 HydrophobicContact CZ2-CB 4.24Å; W286-V291 HydrophobicContact CZ2-CG1 4.25Å; W286-V291 HydrophobicContact CZ2-CG2 3.82Å; W286-V291 VanDerWaalsContact NE1-CG2 3.31Å; E287-V291 VanDerWaalsContact O-CG2 3.24Å; E287-V291 WeakPolarHBondContact O-CG2 3.36Å; E287-V291 PolarHBondContact O-N 3.49Å; Y288-V291 PolarHBondContact O-N 3.32Å; K289-V291 VanDerWaalsContact C-N 3.33Å; K289-V291 PolarHBondContact O-N 3.25Å; V291-V294 PolarHBondContact O-N 3.36Å; V291-L295 WeakPolarHBondContact O-CB 3.49Å; V291-L295 PolarHBondContact O-N 3.28Å; V291-I459 HydrophobicContact CG1-CD1 4.45Å; V291-I459 HydrophobicContact CG1-CG2 3.82Å
292	L	96.4	Very high	88.7	Confident	0 Å²	0	48.1 Å²	48.1	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-60.5	-45.6	176.7	-73	177	0	0	0	111.8	Y288 K289 V294 L295 Q296 P303 Y304 P412 I459	Y288-L292 HydrophobicContact CD2-CD1 4Å; Y288-L292 WeakPolarHBondContact O-CB 3.27Å; Y288-L292 VanDerWaalsContact O-CG 3.28Å; Y288-L292 WeakPolarHBondContact O-CG 3.17Å; Y288-L292 PolarHBondContact O-N 2.99Å; K289-L292 PolarHBondContact O-N 2.97Å; L292-V294 PolarHBondContact O-N 2.98Å; L292-L295 PolarHBondContact O-N 2.91Å; L292-Q296 WeakPolarHBondContact O-CB 3.38Å; L292-Q296 VanDerWaalsContact O-CG 3.29Å; L292-Q296 WeakPolarHBondContact O-CG 3.48Å; L292-Q296 PolarHBondContact O-N 3.33Å; L292-P303 HydrophobicContact CD2-CG 3.54Å; L292-Y304 HydrophobicContact CD1-CD2 4.37Å; L292-Y304 HydrophobicContact CD2-CD2 4.04Å; L292-Y304 HydrophobicContact CD2-CE2 4.18Å; L292-P412 HydrophobicContact CB-CG 4.05Å; L292-P412 HydrophobicContact CD1-CG 4.22Å; L292-I459 HydrophobicContact CD2-CD1 3.75Å; L292-I459 HydrophobicContact CD2-CG1 4.13Å; L292-I459 HydrophobicContact CG-CD1 4.16Å
293	V	97.1	Very high	90.4	Very high	24 Å²	24	41.7 Å²	41.7	15%	0.145	20%	0.203	C	C	.	.	H	α-helix	trans	-59	-48.2	177.3	174.7	0	0	0	0	110.9	K289 R290 A297 P412 E415 A419	K289-V293 WeakPolarHBondContact O-CG2 3.23Å; K289-V293 PolarHBondContact O-N 3.44Å; R290-V293 PolarHBondContact O-N 2.76Å; V293-A297 WeakPolarHBondContact O-CB 3.36Å; V293-A297 PolarHBondContact O-N 3.01Å; V293-P412 HydrophobicContact CG2-CB 3.94Å; V293-P412 HydrophobicContact CG2-CG 4.04Å; V293-E415 HydrophobicContact CG2-CB 3.74Å; V293-A419 HydrophobicContact CG1-CB 3.49Å; V293-A419 VanDerWaalsContact CG1-CB 3.49Å
294	V	95.5	Very high	92.3	Very high	40 Å²	40	39.9 Å²	39.9	24%	0.242	19%	0.193	C	C	.	.	H	α-helix	trans	-65	-45.1	178.6	173.3	0	0	0	0	111.2	Y272 R290 V291 L292 K298	Y272-V294 HydrophobicContact CE2-CG2 4.18Å; R290-V294 WeakPolarHBondContact O-CG2 3.44Å; R290-V294 PolarHBondContact O-N 3.16Å; R290-V294 VanDerWaalsContact O-N 3.09Å; V291-V294 PolarHBondContact O-N 3.36Å; L292-V294 PolarHBondContact O-N 2.98Å; V294-K298 WeakPolarHBondContact O-CB 3.31Å; V294-K298 PolarHBondContact O-N 2.91Å
295	L	95.8	Very high	93.7	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-59.9	-49	-179.1	-178.9	75.3	0	0	0	111.6	V271 V291 L292 H299 G300 I301 P303 I459 L463	V271-L295 HydrophobicContact CG1-CB 4.41Å; V271-L295 HydrophobicContact CG1-CD1 4Å; V291-L295 WeakPolarHBondContact O-CB 3.49Å; V291-L295 PolarHBondContact O-N 3.28Å; L292-L295 PolarHBondContact O-N 2.91Å; L295-H299 HydrophobicContact CD1-CB 4.44Å; L295-H299 WeakPolarHBondContact O-CA 3.4Å; L295-H299 WeakPolarHBondContact O-CB 3.32Å; L295-H299 PolarHBondContact O-N 2.84Å; L295-G300 PolarHBondContact O-N 2.8Å; L295-I301 HydrophobicContact CD1-CB 4.04Å; L295-I301 HydrophobicContact CD1-CD1 4.28Å; L295-I301 HydrophobicContact CD1-CG2 4.49Å; L295-I301 HydrophobicContact CD2-CB 4.21Å; L295-I301 HydrophobicContact CD2-CG2 4.21Å; L295-I301 HydrophobicContact CG-CB 3.92Å; L295-I301 HydrophobicContact CG-CG2 4.42Å; L295-P303 HydrophobicContact CD2-CG 3.58Å; L295-I459 HydrophobicContact CD2-CG2 3.95Å; L295-L463 HydrophobicContact CD1-CB 4.09Å; L295-L463 HydrophobicContact CD1-CD1 4.22Å
296	Q	96.5	Very high	94.9	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-68.1	-48	-180	-69.2	175	-13.5	0	0	111.2	L292 G300 I301 F302 Y305 S416 I420 W618	L292-Q296 WeakPolarHBondContact O-CB 3.38Å; L292-Q296 VanDerWaalsContact O-CG 3.29Å; L292-Q296 WeakPolarHBondContact O-CG 3.48Å; L292-Q296 PolarHBondContact O-N 3.33Å; Q296-G300 WeakPolarHBondContact O-CA 3.48Å; Q296-G300 PolarHBondContact O-N 3.28Å; Q296-G300 VanDerWaalsContact O-N 3.12Å; Q296-I301 VanDerWaalsContact CG-O 3.25Å; Q296-I301 WeakPolarHBondContact CG-O 3.23Å; Q296-F302 HydrophobicContact CB-CD1 4.19Å; Q296-F302 HydrophobicContact CB-CE1 3.89Å; Q296-F302 HydrophobicContact CG-CD1 3.64Å; Q296-F302 HydrophobicContact CG-CE1 3.88Å; Q296-F302 HydrophobicContact CG-CG 4.47Å; Q296-Y305 VanDerWaalsContact NE2-CZ 3.33Å; Q296-Y305 PolarHBondContact NE2-O 3.16Å; Q296-Y305 PolarHBondContact OE1-OH 3.29Å; Q296-S416 PolarHBondContact OE1-OG 3.21Å; Q296-I420 HydrophobicContact CB-CD1 4.13Å; Q296-W618 PolarHBondContact O-NE1 3.38Å
297	A	95.6	Very high	95.3	Very high	9 Å²	9	30.5 Å²	30.5	7%	0.074	14%	0.135	C	C	.	.	H	α-helix	trans	-67.3	-41.1	-177.5	0	0	0	0	0	112.6	V293 A419 I420 W618 R622	V293-A297 WeakPolarHBondContact O-CB 3.36Å; V293-A297 PolarHBondContact O-N 3.01Å; A297-A419 HydrophobicContact CB-CB 3.67Å; A297-I420 HydrophobicContact CB-CG1 4.31Å; A297-W618 PolarHBondContact O-NE1 3.43Å; A297-R622 PolarHBondContact O-NH1 3.31Å
298	K	93.2	Very high	95.5	Very high	79 Å²	79	27.1 Å²	27.1	34%	0.343	12%	0.121	S	C	.	.	H	α-helix	trans	-90.2	-39.8	-173.7	-171.8	178.9	172.2	-169.6	0	114	V294 E615	V294-K298 WeakPolarHBondContact O-CB 3.31Å; V294-K298 PolarHBondContact O-N 2.91Å; K298-E615 WeakPolarHBondContact CE-OE1 3.36Å; K298-E615 WeakPolarHBondContact CE-OE2 3.33Å; K298-E615 IonicContact NZ-OE1 3.76Å; K298-E615 IonicContact NZ-OE2 2.79Å
299	H	93.6	Very high	95.5	Very high	15 Å²	15	25.9 Å²	25.9	7%	0.069	12%	0.117	C	C	.	.	H	α-helix	trans	-111	-11.8	-172.8	-58.6	-83.1	0	0	0	113.8	L295 I301 L463 K466 E615	L295-H299 HydrophobicContact CD1-CB 4.44Å; L295-H299 WeakPolarHBondContact O-CA 3.4Å; L295-H299 WeakPolarHBondContact O-CB 3.32Å; L295-H299 PolarHBondContact O-N 2.84Å; H299-I301 VanDerWaalsContact C-N 3.32Å; H299-I301 HydrophobicContact CB-CD1 3.91Å; H299-I301 HydrophobicContact CB-CG1 3.89Å; H299-I301 WeakPolarHBondContact O-CG1 3.37Å; H299-I301 PolarHBondContact O-N 3.44Å; H299-L463 HydrophobicContact CB-CD1 4.29Å; H299-K466 PolarHBondContact O-NZ 3.19Å; H299-E615 IonicContact CE1-OE1 2.7Å; H299-E615 PolarHBondContact CE1-OE1 3.37Å; H299-E615 IonicContact ND1-OE1 3.63Å; H299-E615 PolarHBondContact ND1-OE1 3.33Å; H299-E615 IonicContact NE2-OE1 2.75Å
300	G	95.1	Very high	95.1	Very high	2 Å²	2	24.3 Å²	24.3	2%	0.021	11%	0.111	C	C	.	.			trans	62.6	41.8	-178	0	0	0	0	0	112.3	L295 Q296 K466 W618	L295-G300 PolarHBondContact O-N 2.8Å; Q296-G300 WeakPolarHBondContact O-CA 3.48Å; Q296-G300 PolarHBondContact O-N 3.28Å; Q296-G300 VanDerWaalsContact O-N 3.12Å; G300-K466 PolarHBondContact O-NZ 3.12Å; G300-W618 VanDerWaalsContact N-CD1 3.29Å
301	I	96.1	Very high	94.4	Very high	3 Å²	3	18.2 Å²	18.2	2%	0.015	9%	0.09	C	C	.	.			trans	-116.3	126.2	-179.7	-54.9	-177.5	0	0	0	107	L295 Q296 H299 P303 L463 K466	L295-I301 HydrophobicContact CD1-CB 4.04Å; L295-I301 HydrophobicContact CD1-CD1 4.28Å; L295-I301 HydrophobicContact CD1-CG2 4.49Å; L295-I301 HydrophobicContact CD2-CB 4.21Å; L295-I301 HydrophobicContact CD2-CG2 4.21Å; L295-I301 HydrophobicContact CG-CB 3.92Å; L295-I301 HydrophobicContact CG-CG2 4.42Å; Q296-I301 VanDerWaalsContact CG-O 3.25Å; Q296-I301 WeakPolarHBondContact CG-O 3.23Å; H299-I301 VanDerWaalsContact C-N 3.32Å; H299-I301 HydrophobicContact CB-CD1 3.91Å; H299-I301 HydrophobicContact CB-CG1 3.89Å; H299-I301 WeakPolarHBondContact O-CG1 3.37Å; H299-I301 PolarHBondContact O-N 3.44Å; I301-P303 WeakPolarHBondContact O-CD 3.19Å; I301-L463 HydrophobicContact CD1-CB 4.24Å; I301-L463 HydrophobicContact CD1-CD1 3.57Å; I301-K466 HydrophobicContact CD1-CB 3.99Å; I301-K466 HydrophobicContact CD1-CD 3.73Å; I301-K466 HydrophobicContact CD1-CG 4.47Å; I301-K466 HydrophobicContact CG1-CD 3.58Å
302	F	96.6	Very high	93.3	Very high	9 Å²	9	19.1 Å²	19.1	4%	0.039	10%	0.1	C	C	.	.			trans	-120.1	69.3	-164.2	-68.3	-76.5	0	0	0	111.6	Q296 Y305 R306 V307 G326 E327 I420 W618	Q296-F302 HydrophobicContact CB-CD1 4.19Å; Q296-F302 HydrophobicContact CB-CE1 3.89Å; Q296-F302 HydrophobicContact CG-CD1 3.64Å; Q296-F302 HydrophobicContact CG-CE1 3.88Å; Q296-F302 HydrophobicContact CG-CG 4.47Å; F302-Y305 WeakPolarHBondContact CB-O 3.23Å; F302-R306 HydrophobicContact CB-CB 4.01Å; F302-R306 HydrophobicContact CB-CG 4.25Å; F302-R306 HydrophobicContact CD2-CG 4.26Å; F302-R306 HydrophobicContact CG-CB 4.32Å; F302-R306 HydrophobicContact CG-CG 4.17Å; F302-V307 HydrophobicContact CD1-CB 4.44Å; F302-V307 HydrophobicContact CD1-CG2 4.41Å; F302-V307 HydrophobicContact CE1-CB 3.78Å; F302-V307 HydrophobicContact CE1-CG2 4Å; F302-V307 HydrophobicContact CZ-CB 4.35Å; F302-G326 CarbonylContact O-C 3.59Å; F302-G326 WeakPolarHBondContact O-CA 3.36Å; F302-E327 PolarHBondContact O-N 3.42Å; F302-I420 HydrophobicContact CE1-CD1 4.03Å; F302-W618 AromaticContact CE2-CH2 3.6Å; F302-W618 HydrophobicContact CE2-CH2 3.6Å; F302-W618 HydrophobicContact CE2-CZ2 4.09Å; F302-W618 HydrophobicContact CE2-CZ3 4.13Å; F302-W618 AromaticContact CZ-CH2 3.47Å; F302-W618 HydrophobicContact CZ-CH2 3.47Å; F302-W618 VanDerWaalsContact CZ-CH2 3.47Å; F302-W618 AromaticContact CZ-CZ2 3.68Å; F302-W618 HydrophobicContact CZ-CZ2 3.68Å; F302-W618 HydrophobicContact CZ-CZ3 4.42Å
303	P	95.3	Very high	91.7	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	11%	0.109	C	C	.	.	S	Bend	trans	-67.8	143.1	170.4	30.7	-32.8	0	0	0	109.2	L292 L295 I301 Y305 F458 I459	L292-P303 HydrophobicContact CD2-CG 3.54Å; L295-P303 HydrophobicContact CD2-CG 3.58Å; I301-P303 WeakPolarHBondContact O-CD 3.19Å; P303-Y305 PolarHBondContact O-N 3.05Å; P303-F458 HydrophobicContact CB-CD1 4.17Å; P303-F458 HydrophobicContact CB-CE1 3.53Å; P303-F458 HydrophobicContact CB-CZ 4.17Å; P303-I459 HydrophobicContact CG-CG1 4.24Å
304	Y	96.7	Very high	89.8	Confident	4 Å²	4	23.2 Å²	23.2	2%	0.016	12%	0.124	C	C	.	.	S	Bend	trans	69.4	-54.6	-178.9	-44.6	-76.5	0	0	0	115.8	L292 G326 Y376 I380 L443 L446 L447 F458 I459	L292-Y304 HydrophobicContact CD1-CD2 4.37Å; L292-Y304 HydrophobicContact CD2-CD2 4.04Å; L292-Y304 HydrophobicContact CD2-CE2 4.18Å; Y304-G326 VanDerWaalsContact C-CA 3.47Å; Y304-G326 VanDerWaalsContact C-N 3.34Å; Y304-G326 WeakPolarHBondContact O-CA 3.46Å; Y304-G326 PolarHBondContact O-N 3.46Å; Y304-Y376 HydrophobicContact CE1-CE1 4.16Å; Y304-Y376 WeakPolarHBondContact OH-CE1 3.43Å; Y304-Y376 PolarHBondContact OH-OH 3.33Å; Y304-I380 HydrophobicContact CD1-CD1 4.16Å; Y304-I380 HydrophobicContact CD1-CG1 4.48Å; Y304-I380 HydrophobicContact CE1-CD1 3.72Å; Y304-I380 HydrophobicContact CE1-CG1 4.16Å; Y304-L443 HydrophobicContact CD1-CD2 4.42Å; Y304-L443 WeakPolarHBondContact O-CD1 3.43Å; Y304-L446 HydrophobicContact CD1-CD2 4.34Å; Y304-L446 HydrophobicContact CE1-CD2 4.06Å; Y304-L447 HydrophobicContact CD1-CD2 4.46Å; Y304-L447 HydrophobicContact CD2-CD1 4.43Å; Y304-L447 HydrophobicContact CD2-CD2 4.45Å; Y304-L447 HydrophobicContact CE1-CD2 3.91Å; Y304-L447 HydrophobicContact CE1-CG 4.39Å; Y304-L447 HydrophobicContact CE2-CD2 3.91Å; Y304-L447 HydrophobicContact CG-CD1 4.43Å; Y304-F458 HydrophobicContact CD1-CE1 4.24Å; Y304-F458 HydrophobicContact CD2-CE1 4.45Å; Y304-F458 AromaticContact CE1-CD1 3.95Å; Y304-F458 HydrophobicContact CE1-CD1 3.95Å; Y304-F458 AromaticContact CE1-CE1 3.83Å; Y304-F458 HydrophobicContact CE1-CE1 3.83Å; Y304-F458 AromaticContact CE2-CD1 3.98Å; Y304-F458 HydrophobicContact CE2-CD1 3.98Å; Y304-F458 HydrophobicContact CE2-CE1 4.05Å; Y304-F458 AromaticContact CZ-CD1 3.5Å; Y304-F458 AromaticContact CZ-CE1 3.73Å; Y304-F458 WeakPolarHBondContact OH-CD1 3.48Å; Y304-I459 HydrophobicContact CE2-CG1 4.31Å
305	Y	97.3	Very high	87.8	Confident	0 Å²	0	28.5 Å²	28.5	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	140	177.9	65.2	-82.2	0	0	0	111.9	Q296 F302 P303 V307 D324 L411 P412 I413 S416	Q296-Y305 VanDerWaalsContact NE2-CZ 3.33Å; Q296-Y305 PolarHBondContact NE2-O 3.16Å; Q296-Y305 PolarHBondContact OE1-OH 3.29Å; F302-Y305 WeakPolarHBondContact CB-O 3.23Å; P303-Y305 PolarHBondContact O-N 3.05Å; Y305-V307 HydrophobicContact CD2-CG2 4.29Å; Y305-V307 HydrophobicContact CE2-CG2 4.3Å; Y305-D324 CarbonylContact C-O 3.45Å; Y305-D324 VanDerWaalsContact CA-O 3.3Å; Y305-D324 WeakPolarHBondContact CA-O 3.4Å; Y305-L411 HydrophobicContact CD1-CB 4.45Å; Y305-L411 HydrophobicContact CD1-CD1 4.24Å; Y305-L411 HydrophobicContact CD1-CD2 3.88Å; Y305-L411 HydrophobicContact CD1-CG 4.43Å; Y305-L411 HydrophobicContact CE1-CB 4.12Å; Y305-L411 HydrophobicContact CE1-CD2 3.97Å; Y305-P412 WeakPolarHBondContact OH-CD 3.31Å; Y305-P412 WeakPolarHBondContact OH-CG 3.2Å; Y305-P412 PolarHBondContact OH-O 3.04Å; Y305-I413 HydrophobicContact CD2-CG1 4.32Å; Y305-I413 HydrophobicContact CE1-CG1 4.47Å; Y305-I413 HydrophobicContact CE2-CG1 3.96Å; Y305-S416 PolarHBondContact OH-OG 2.88Å
306	R	96.8	Very high	85.9	Confident	85 Å²	85	33.4 Å²	33.4	32%	0.321	18%	0.182	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	139.2	179.3	-178.1	175.2	58.1	-172.9	-3.2	110.8	F302 T308 L323 D324 E325	F302-R306 HydrophobicContact CB-CB 4.01Å; F302-R306 HydrophobicContact CB-CG 4.25Å; F302-R306 HydrophobicContact CD2-CG 4.26Å; F302-R306 HydrophobicContact CG-CB 4.32Å; F302-R306 HydrophobicContact CG-CG 4.17Å; R306-T308 HydrophobicContact CG-CG2 4.09Å; R306-L323 WeakPolarHBondContact O-CA 3.38Å; R306-D324 IonicContact CZ-OD2 3.89Å; R306-D324 PolarHBondContact N-O 3.44Å; R306-D324 IonicContact NH2-OD2 3.73Å; R306-D324 PolarHBondContact NH2-OD2 2.86Å; R306-D324 PolarHBondContact O-N 3.14Å; R306-E325 WeakPolarHBondContact CB-O 3.33Å
307	V	96.6	Very high	84.3	Confident	2 Å²	2	37.3 Å²	37.3	1%	0.012	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	122	176.5	-179.8	0	0	0	0	108.7	F302 Y305 I321 L323 L417 I420 F421	F302-V307 HydrophobicContact CD1-CB 4.44Å; F302-V307 HydrophobicContact CD1-CG2 4.41Å; F302-V307 HydrophobicContact CE1-CB 3.78Å; F302-V307 HydrophobicContact CE1-CG2 4Å; F302-V307 HydrophobicContact CZ-CB 4.35Å; Y305-V307 HydrophobicContact CD2-CG2 4.29Å; Y305-V307 HydrophobicContact CE2-CG2 4.3Å; V307-I321 HydrophobicContact CG1-CG2 4.06Å; V307-L323 HydrophobicContact CG2-CD2 3.8Å; V307-L417 HydrophobicContact CB-CD2 4.33Å; V307-L417 HydrophobicContact CG1-CD2 3.43Å; V307-L417 VanDerWaalsContact CG1-CD2 3.43Å; V307-L417 HydrophobicContact CG2-CD2 3.9Å; V307-I420 HydrophobicContact CB-CD1 4.08Å; V307-I420 HydrophobicContact CG1-CD1 4.24Å; V307-I420 HydrophobicContact CG2-CD1 3.94Å; V307-F421 HydrophobicContact CG1-CE2 3.94Å; V307-F421 HydrophobicContact CG1-CZ 4.13Å
308	T	94.5	Very high	83.3	Confident	22 Å²	22	41.3 Å²	41.3	14%	0.135	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	170.1	173.7	59.3	0	0	0	0	110.6	R306 I321 T322	R306-T308 HydrophobicContact CG-CG2 4.09Å; T308-I321 WeakPolarHBondContact O-CA 3.38Å; T308-T322 PolarHBondContact N-O 3.47Å; T308-T322 PolarHBondContact O-N 3.4Å
309	V	92.8	Very high	83	Confident	14 Å²	14	38.2 Å²	38.2	9%	0.085	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	113.4	170.1	178.2	0	0	0	0	107.7	I321 F421 M625 K628 L629	V309-I321 HydrophobicContact CG2-CG1 4.49Å; V309-F421 HydrophobicContact CG2-CE1 4.16Å; V309-F421 HydrophobicContact CG2-CZ 3.69Å; V309-M625 HydrophobicContact CB-CB 4.39Å; V309-M625 HydrophobicContact CG2-CB 4Å; V309-M625 HydrophobicContact CG2-CE 4.09Å; V309-K628 HydrophobicContact CG1-CB 3.93Å; V309-K628 HydrophobicContact CG1-CD 4.14Å; V309-L629 HydrophobicContact CG1-CD2 3.74Å; V309-L629 HydrophobicContact CG1-CG 4.42Å; V309-L629 HydrophobicContact CG2-CD2 4.05Å; V309-L629 HydrophobicContact CG2-CG 4.36Å
310	E	87	Confident	82.9	Confident	53 Å²	53	38 Å²	38	25%	0.248	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	167.5	-175.3	-63.5	-172.5	-160.6	0	0	111.5	G312 Y319 V320 R435	E310-G312 PolarHBondContact O-N 3.3Å; E310-Y319 CarbonylContact O-C 3.54Å; E310-Y319 VanDerWaalsContact O-CA 3.24Å; E310-Y319 WeakPolarHBondContact O-CA 3.5Å; E310-V320 PolarHBondContact N-O 3.33Å; E310-V320 PolarHBondContact O-N 2.8Å; E310-R435 IonicContact OE1-CZ 2.89Å; E310-R435 IonicContact OE1-NH2 2.6Å; E310-R435 PolarHBondContact OE1-NH2 3.38Å; E310-R435 IonicContact OE2-CZ 2.79Å; E310-R435 IonicContact OE2-NH2 2.74Å; E310-R435 PolarHBondContact OE2-NH2 3.37Å
311	N	80	Confident	82.9	Confident	20 Å²	20	38.4 Å²	38.4	11%	0.107	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67	124.8	173.4	-75.3	-31.5	0	0	0	110	Y319 E641	N311-Y319 VanDerWaalsContact OD1-CD1 3.3Å; N311-Y319 WeakPolarHBondContact OD1-CD1 3.43Å; N311-Y319 WeakPolarHBondContact OD1-CE1 3.43Å; N311-E641 PolarHBondContact ND2-OE1 3.44Å; N311-E641 PolarHBondContact ND2-OE2 3Å; N311-E641 PolarHBondContact OD1-OE1 2.82Å
312	G	71.2	Confident	82.8	Confident	21 Å²	21	38.2 Å²	38.2	22%	0.216	21%	0.207	C	C	.	.			trans	-68.8	133.9	170.3	0	0	0	0	0	110.3	E310 S314 D318	E310-G312 PolarHBondContact O-N 3.3Å; G312-S314 VanDerWaalsContact C-N 3.34Å; G312-D318 PolarHBondContact N-O 3.44Å
313	F	63.4	Low	82.8	Confident	46 Å²	46	37.8 Å²	37.8	20%	0.202	21%	0.205	C	C	.	.	S	Bend	trans	-91.5	3.4	177.9	-54.1	-61.9	0	0	0	113.2	T699 L702 Q703 T706	F313-T699 HydrophobicContact CD1-CG2 3.69Å; F313-T699 HydrophobicContact CE1-CG2 3.26Å; F313-T699 HydrophobicContact CZ-CG2 4.08Å; F313-L702 HydrophobicContact CD2-CD1 4.46Å; F313-L702 HydrophobicContact CE2-CD1 4.47Å; F313-Q703 HydrophobicContact CB-CG 4.43Å; F313-Q703 HydrophobicContact CD1-CG 4.37Å; F313-T706 PolarHBondContact O-OG1 2.94Å
314	S	57.4	Low	82.8	Confident	64 Å²	64	39.5 Å²	39.5	45%	0.448	21%	0.214	S	C	.	.	S	Bend	trans	-146	142.6	-176.7	56.7	0	0	0	0	112	G312	G312-S314 VanDerWaalsContact C-N 3.34Å
315	N	52.6	Low	82.7	Confident	151 Å²	151	40.9 Å²	40.9	81%	0.807	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.7	142.7	166.3	-76.5	-35.1	0	0	0	110
316	P	55.8	Low	82.6	Confident	102 Å²	102	41.7 Å²	41.7	66%	0.662	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	cis	-101.2	3	17.2	38.1	-35.9	0	0	0	115.9
317	H	63.8	Low	82.4	Confident	83 Å²	83	40.7 Å²	40.7	38%	0.384	23%	0.228	S	C	.	.			trans	-106.4	118.4	-172.8	-63.5	-56.8	0	0	0	112.4
318	D	73.5	Confident	82.3	Confident	93 Å²	93	41.9 Å²	41.9	50%	0.497	24%	0.235	S	C	.	.	S	Bend	trans	-67.5	-37.6	172.8	-78.3	-4.4	0	0	0	112.6	G312 K656	G312-D318 PolarHBondContact N-O 3.44Å; D318-K656 HydrophobicContact CB-CD 4.48Å; D318-K656 VanDerWaalsContact CB-NZ 3.31Å; D318-K656 WeakPolarHBondContact OD2-CE 3.28Å; D318-K656 IonicContact OD2-NZ 3.38Å; D318-K656 PolarHBondContact OD2-NZ 3.49Å
319	Y	87.8	Confident	82.3	Confident	13 Å²	13	41.1 Å²	41.1	5%	0.051	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	140.4	176.5	-64.6	-78.4	0	0	0	109.2	E310 N311 K628 L632 K656	E310-Y319 CarbonylContact O-C 3.54Å; E310-Y319 VanDerWaalsContact O-CA 3.24Å; E310-Y319 WeakPolarHBondContact O-CA 3.5Å; N311-Y319 VanDerWaalsContact OD1-CD1 3.3Å; N311-Y319 WeakPolarHBondContact OD1-CD1 3.43Å; N311-Y319 WeakPolarHBondContact OD1-CE1 3.43Å; Y319-K628 HydrophobicContact CD1-CB 4.15Å; Y319-K628 HydrophobicContact CD1-CD 4.05Å; Y319-K628 HydrophobicContact CD1-CG 4.39Å; Y319-K628 HydrophobicContact CD2-CB 3.96Å; Y319-K628 WeakPolarHBondContact CD2-O 3.36Å; Y319-K628 HydrophobicContact CE1-CB 4.42Å; Y319-K628 HydrophobicContact CE1-CD 3.94Å; Y319-K628 HydrophobicContact CE1-CG 4.22Å; Y319-K628 HydrophobicContact CE2-CB 4.21Å; Y319-K628 HydrophobicContact CE2-CG 4.4Å; Y319-K628 HydrophobicContact CG-CB 3.89Å; Y319-L632 HydrophobicContact CE2-CD1 4.03Å; Y319-K656 HydrophobicContact CE1-CD 4.47Å; Y319-K656 HydrophobicContact CE2-CD 3.95Å
320	V	90.1	Very high	82.3	Confident	12 Å²	12	40.7 Å²	40.7	7%	0.073	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	137.4	-176	65.2	0	0	0	0	110.7	E310 T322 L398 L433	E310-V320 PolarHBondContact N-O 3.33Å; E310-V320 PolarHBondContact O-N 2.8Å; V320-T322 PolarHBondContact O-N 2.84Å; V320-T322 PolarHBondContact O-OG1 3.22Å; V320-L398 HydrophobicContact CG2-CD1 4.07Å; V320-L433 HydrophobicContact CG1-CB 4.06Å; V320-L433 HydrophobicContact CG1-CD2 4.23Å; V320-L433 HydrophobicContact CG2-CB 3.99Å
321	I	95.1	Very high	82.4	Confident	9 Å²	9	41 Å²	41	5%	0.046	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.3	123.3	170.3	-60.8	173.5	0	0	0	107.3	V307 T308 V309 L417 F421 I426 V432 L433 L629	V307-I321 HydrophobicContact CG1-CG2 4.06Å; T308-I321 WeakPolarHBondContact O-CA 3.38Å; V309-I321 HydrophobicContact CG2-CG1 4.49Å; I321-L417 HydrophobicContact CG2-CD1 4.21Å; I321-L417 HydrophobicContact CG2-CD2 3.66Å; I321-F421 HydrophobicContact CD1-CD2 3.97Å; I321-F421 HydrophobicContact CD1-CE2 3.88Å; I321-F421 HydrophobicContact CG1-CE2 4.05Å; I321-F421 HydrophobicContact CG2-CE2 4.35Å; I321-I426 HydrophobicContact CD1-CD1 4.35Å; I321-V432 HydrophobicContact CB-CB 4.5Å; I321-V432 HydrophobicContact CB-CG1 4.01Å; I321-V432 HydrophobicContact CG2-CG1 4.11Å; I321-V432 WeakPolarHBondContact O-CA 3.27Å; I321-L433 PolarHBondContact O-N 2.88Å; I321-L629 HydrophobicContact CD1-CD1 3.96Å; I321-L629 HydrophobicContact CG1-CD1 3.96Å; I321-L629 HydrophobicContact CG1-CD2 3.78Å
322	T	94	Very high	82.9	Confident	0 Å²	0	42.4 Å²	42.4	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	136.1	-178.1	-57.1	0	0	0	0	110.2	T308 V320 L433 R435	T308-T322 PolarHBondContact N-O 3.47Å; T308-T322 PolarHBondContact O-N 3.4Å; V320-T322 PolarHBondContact O-N 2.84Å; V320-T322 PolarHBondContact O-OG1 3.22Å; T322-L433 CarbonylContact C-O 3.55Å; T322-L433 VanDerWaalsContact CA-O 3.3Å; T322-L433 WeakPolarHBondContact CA-O 3.11Å; T322-L433 HydrophobicContact CG2-CB 4.37Å; T322-L433 HydrophobicContact CG2-CD2 4.11Å; T322-L433 HydrophobicContact CG2-CG 4.24Å; T322-R435 HydrophobicContact CG2-CG 4.1Å
323	L	97.3	Very high	83.8	Confident	0 Å²	0	43.3 Å²	43.3	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	123.8	177.1	-61.4	177.5	0	0	0	109.4	R306 V307 L404 I413 V432 L433 V434 R435 M440	R306-L323 WeakPolarHBondContact O-CA 3.38Å; V307-L323 HydrophobicContact CG2-CD2 3.8Å; L323-L404 HydrophobicContact CD1-CD2 3.38Å; L323-I413 HydrophobicContact CD1-CD1 4.28Å; L323-I413 HydrophobicContact CD1-CG2 3.61Å; L323-I413 HydrophobicContact CD2-CG2 4.26Å; L323-V432 HydrophobicContact CD1-CG2 3.81Å; L323-V432 HydrophobicContact CG-CG2 4.45Å; L323-L433 PolarHBondContact N-O 3.1Å; L323-V434 HydrophobicContact CD1-CG2 4.33Å; L323-R435 WeakPolarHBondContact O-CG 3.41Å; L323-R435 PolarHBondContact O-N 3.1Å; L323-M440 HydrophobicContact CB-CE 4.44Å
324	D	95.2	Very high	85	Confident	36 Å²	36	44.4 Å²	44.4	19%	0.193	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	174.8	-177.6	-163.9	12.8	0	0	0	110.5	Y305 R306 R435 M440	Y305-D324 CarbonylContact C-O 3.45Å; Y305-D324 VanDerWaalsContact CA-O 3.3Å; Y305-D324 WeakPolarHBondContact CA-O 3.4Å; R306-D324 IonicContact CZ-OD2 3.89Å; R306-D324 PolarHBondContact N-O 3.44Å; R306-D324 IonicContact NH2-OD2 3.73Å; R306-D324 PolarHBondContact NH2-OD2 2.86Å; R306-D324 PolarHBondContact O-N 3.14Å; D324-R435 HydrophobicContact CB-CB 4.49Å; D324-R435 HydrophobicContact CB-CG 3.88Å; D324-M440 WeakPolarHBondContact O-CE 3.38Å
325	E	94.8	Very high	86.6	Confident	32 Å²	32	41.4 Å²	41.4	15%	0.15	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.7	142.1	174.9	-66.6	174.4	-156.9	0	0	112.1	R306 K333 K388 V439	R306-E325 WeakPolarHBondContact CB-O 3.33Å; E325-K333 IonicContact OE1-NZ 3.53Å; E325-K333 WeakPolarHBondContact OE2-CE 3.07Å; E325-K333 IonicContact OE2-NZ 2.61Å; E325-K333 PolarHBondContact OE2-NZ 3.14Å; E325-K388 WeakPolarHBondContact OE1-CE 3.36Å; E325-K388 IonicContact OE1-NZ 2.9Å; E325-K388 PolarHBondContact OE1-NZ 3.25Å; E325-K388 IonicContact OE2-NZ 3.82Å; E325-V439 HydrophobicContact CG-CG1 3.89Å
326	G	94.9	Very high	88.6	Confident	18 Å²	18	34.2 Å²	34.2	19%	0.186	18%	0.184	C	C	.	.			trans	-79.1	174.4	177.3	0	0	0	0	0	113.7	F302 Y304	F302-G326 CarbonylContact O-C 3.59Å; F302-G326 WeakPolarHBondContact O-CA 3.36Å; Y304-G326 VanDerWaalsContact C-CA 3.47Å; Y304-G326 VanDerWaalsContact C-N 3.34Å; Y304-G326 WeakPolarHBondContact O-CA 3.46Å; Y304-G326 PolarHBondContact O-N 3.46Å
327	E	93.5	Very high	90.2	Very high	63 Å²	63	31 Å²	31	29%	0.294	17%	0.17	S	C	.	.			trans	-77.7	137.6	-176.1	-62.7	170.4	-176.3	0	0	112.3	F302	F302-E327 PolarHBondContact O-N 3.42Å
328	L	94.6	Very high	91.1	Very high	27 Å²	27	33.8 Å²	33.8	14%	0.141	19%	0.188	C	C	.	.			trans	-109.5	164	171.2	-67.7	170.1	0	0	0	110.8	K333 Y336 E377 I380 V381 R465	L328-K333 HydrophobicContact CD1-CG 3.96Å; L328-Y336 HydrophobicContact CB-CE2 4.35Å; L328-Y336 HydrophobicContact CD1-CE2 4.22Å; L328-E377 HydrophobicContact CD2-CB 4.49Å; L328-I380 HydrophobicContact CD2-CB 4.39Å; L328-I380 HydrophobicContact CD2-CD1 4.47Å; L328-I380 HydrophobicContact CD2-CG2 4.11Å; L328-V381 HydrophobicContact CD1-CG2 3.45Å; L328-V381 VanDerWaalsContact CD1-CG2 3.45Å; L328-V381 HydrophobicContact CD2-CG2 4.38Å; L328-R465 PolarHBondContact O-NH1 3.23Å; L328-R465 PolarHBondContact O-NH2 3.01Å
329	G	93.3	Very high	91.5	Very high	7 Å²	7	36 Å²	36	7%	0.072	20%	0.199	C	C	.	.	S	Bend	trans	-65.4	-48.3	-179.5	0	0	0	0	0	115	Y336 Y348 E377 R465	G329-Y336 PolarHBondContact N-OH 3.3Å; G329-Y348 VanDerWaalsContact CA-OH 3.29Å; G329-Y348 WeakPolarHBondContact CA-OH 3.34Å; G329-E377 PolarHBondContact N-OE1 3.18Å; G329-R465 PolarHBondContact O-NH1 2.88Å
330	L	94	Very high	91.2	Very high	5 Å²	5	36.2 Å²	36.2	3%	0.026	20%	0.204	C	C	.	.	S	Bend	trans	-83.8	154	176.2	-67.3	166.5	0	0	0	110.8	D332 F335 Y336 V344 Y348 F374 F482	L330-D332 VanDerWaalsContact C-N 3.29Å; L330-D332 PolarHBondContact O-N 2.93Å; L330-F335 HydrophobicContact CB-CB 4.26Å; L330-F335 HydrophobicContact CB-CD2 4.42Å; L330-F335 HydrophobicContact CD1-CB 3.55Å; L330-F335 HydrophobicContact CG-CB 4.33Å; L330-Y336 HydrophobicContact CB-CE2 3.64Å; L330-Y336 HydrophobicContact CD1-CD1 4.2Å; L330-Y336 HydrophobicContact CD1-CD2 4.27Å; L330-Y336 HydrophobicContact CD1-CE1 3.76Å; L330-Y336 HydrophobicContact CD1-CE2 3.88Å; L330-Y336 HydrophobicContact CD1-CG 4.46Å; L330-Y336 HydrophobicContact CG-CE1 4.39Å; L330-Y336 HydrophobicContact CG-CE2 4.15Å; L330-Y336 PolarHBondContact N-OH 2.76Å; L330-V344 HydrophobicContact CD2-CG1 4.11Å; L330-Y348 HydrophobicContact CD1-CD1 3.95Å; L330-Y348 HydrophobicContact CD1-CE1 4.46Å; L330-Y348 HydrophobicContact CD1-CG 4.4Å; L330-Y348 HydrophobicContact CD2-CD1 3.93Å; L330-Y348 HydrophobicContact CD2-CD2 3.96Å; L330-Y348 HydrophobicContact CD2-CG 3.53Å; L330-Y348 HydrophobicContact CG-CD1 3.77Å; L330-Y348 HydrophobicContact CG-CD2 4.34Å; L330-Y348 HydrophobicContact CG-CE1 4.14Å; L330-Y348 HydrophobicContact CG-CG 3.88Å; L330-F374 HydrophobicContact CD1-CE2 4.08Å; L330-F482 HydrophobicContact CD2-CE2 4.2Å; L330-F482 HydrophobicContact CD2-CZ 3.76Å
331	P	88.9	Confident	90.9	Very high	58 Å²	58	37.2 Å²	37.2	38%	0.377	21%	0.209	S	C	.	.	S	Bend	trans	-65	-30.3	-174.3	-17.8	28.2	0	0	0	114.2	L486 V837	P331-L486 HydrophobicContact CG-CD2 3.57Å; P331-V837 HydrophobicContact CB-CB 4.25Å; P331-V837 HydrophobicContact CB-CG1 3.88Å; P331-V837 HydrophobicContact CG-CG1 4.11Å
332	D	90.1	Very high	90.6	Very high	50 Å²	50	44.8 Å²	44.8	27%	0.267	24%	0.244	S	C	.	.	S	Bend	trans	-140.5	153.5	-178.3	-170.2	-90.6	0	0	0	111.5	L330 Y334 F335 L836	L330-D332 VanDerWaalsContact C-N 3.29Å; L330-D332 PolarHBondContact O-N 2.93Å; D332-Y334 VanDerWaalsContact C-N 3.26Å; D332-Y334 PolarHBondContact O-N 2.85Å; D332-Y334 WeakPolarHBondContact OD1-CB 3.33Å; D332-Y334 PolarHBondContact OD1-N 3.27Å; D332-F335 HydrophobicContact CB-CD2 4.24Å; D332-F335 HydrophobicContact CB-CE2 4.2Å; D332-F335 WeakPolarHBondContact O-CD2 3.47Å; D332-F335 PolarHBondContact O-N 2.93Å; D332-L836 HydrophobicContact CB-CB 4.09Å
333	K	90.9	Very high	90.3	Very high	40 Å²	40	49.7 Å²	49.7	17%	0.174	27%	0.267	C	S	.	.	G	3₁₀ helix	trans	-66.5	-25.6	-179.2	-67.4	-179.1	-176.4	166.4	0	113.5	E325 L328 F335 Y336 V381 E385	E325-K333 IonicContact OE1-NZ 3.53Å; E325-K333 WeakPolarHBondContact OE2-CE 3.07Å; E325-K333 IonicContact OE2-NZ 2.61Å; E325-K333 PolarHBondContact OE2-NZ 3.14Å; L328-K333 HydrophobicContact CD1-CG 3.96Å; K333-F335 PolarHBondContact O-N 3.23Å; K333-F335 VanDerWaalsContact O-N 3.13Å; K333-Y336 PolarHBondContact O-N 2.75Å; K333-V381 HydrophobicContact CB-CG1 3.91Å; K333-V381 HydrophobicContact CB-CG2 4.44Å; K333-V381 HydrophobicContact CD-CG1 4.23Å; K333-V381 HydrophobicContact CG-CG1 4.16Å; K333-V381 HydrophobicContact CG-CG2 4.1Å; K333-E385 WeakPolarHBondContact CD-OE1 3.2Å; K333-E385 IonicContact NZ-OE1 3.08Å; K333-E385 PolarHBondContact NZ-OE1 3.34Å
334	Y	87.4	Confident	90	Very high	70 Å²	70	49.9 Å²	49.9	28%	0.275	27%	0.268	S	S	.	.	G	3₁₀ helix	trans	-48.6	-39.3	175.7	169.3	-99.6	0	0	0	112.2	D332 Y336 G337 D339 R832 L836	D332-Y334 VanDerWaalsContact C-N 3.26Å; D332-Y334 PolarHBondContact O-N 2.85Å; D332-Y334 WeakPolarHBondContact OD1-CB 3.33Å; D332-Y334 PolarHBondContact OD1-N 3.27Å; Y334-Y336 PolarHBondContact O-N 2.97Å; Y334-Y336 VanDerWaalsContact O-N 3.09Å; Y334-G337 PolarHBondContact O-N 3.28Å; Y334-D339 PolarHBondContact OH-O 3.34Å; Y334-R832 PolarHBondContact OH-NH2 3.1Å; Y334-L836 HydrophobicContact CD1-CD1 3.29Å; Y334-L836 HydrophobicContact CD2-CD1 4.29Å; Y334-L836 HydrophobicContact CE1-CD1 3.79Å; Y334-L836 HydrophobicContact CG-CD1 3.56Å; Y334-L836 HydrophobicContact CG-CD2 4.42Å
335	F	91.6	Very high	89.9	Confident	0 Å²	0	49.2 Å²	49.2	0%	0	27%	0.265	C	S	.	.	G	3₁₀ helix	trans	-71.2	-4	-178	-58.6	-71.2	0	0	0	114.7	L330 D332 K333 A340 D341 V344 V345 L486 I833 V837	L330-F335 HydrophobicContact CB-CB 4.26Å; L330-F335 HydrophobicContact CB-CD2 4.42Å; L330-F335 HydrophobicContact CD1-CB 3.55Å; L330-F335 HydrophobicContact CG-CB 4.33Å; D332-F335 HydrophobicContact CB-CD2 4.24Å; D332-F335 HydrophobicContact CB-CE2 4.2Å; D332-F335 WeakPolarHBondContact O-CD2 3.47Å; D332-F335 PolarHBondContact O-N 2.93Å; K333-F335 PolarHBondContact O-N 3.23Å; K333-F335 VanDerWaalsContact O-N 3.13Å; F335-A340 WeakPolarHBondContact O-CB 3.4Å; F335-D341 HydrophobicContact CD1-CB 4.33Å; F335-D341 HydrophobicContact CE1-CB 4.16Å; F335-V344 HydrophobicContact CD1-CB 4Å; F335-V344 HydrophobicContact CD1-CG1 3.72Å; F335-V344 HydrophobicContact CD1-CG2 4.46Å; F335-V344 HydrophobicContact CE1-CB 4.01Å; F335-V344 HydrophobicContact CE1-CG1 3.83Å; F335-V344 HydrophobicContact CE1-CG2 3.97Å; F335-V344 HydrophobicContact CG-CG1 4.14Å; F335-V344 HydrophobicContact CZ-CG1 4.34Å; F335-V345 VanDerWaalsContact O-CG2 3.25Å; F335-V345 WeakPolarHBondContact O-CG2 3.31Å; F335-L486 HydrophobicContact CZ-CD1 4.27Å; F335-I833 HydrophobicContact CE1-CG2 4.23Å; F335-I833 HydrophobicContact CZ-CB 4.26Å; F335-I833 HydrophobicContact CZ-CG2 4.15Å; F335-V837 HydrophobicContact CE2-CG1 4.02Å; F335-V837 HydrophobicContact CZ-CG1 4.25Å
336	Y	93.9	Very high	89.8	Confident	0 Å²	0	56.2 Å²	56.2	0%	0	29%	0.29	C	S	.	.	G	3₁₀ helix	trans	-102.1	-2.3	172.1	-58.9	-86.2	0	0	0	112.7	L328 G329 L330 K333 Y334 F374 E377 R378 V381	L328-Y336 HydrophobicContact CB-CE2 4.35Å; L328-Y336 HydrophobicContact CD1-CE2 4.22Å; G329-Y336 PolarHBondContact N-OH 3.3Å; L330-Y336 HydrophobicContact CB-CE2 3.64Å; L330-Y336 HydrophobicContact CD1-CD1 4.2Å; L330-Y336 HydrophobicContact CD1-CD2 4.27Å; L330-Y336 HydrophobicContact CD1-CE1 3.76Å; L330-Y336 HydrophobicContact CD1-CE2 3.88Å; L330-Y336 HydrophobicContact CD1-CG 4.46Å; L330-Y336 HydrophobicContact CG-CE1 4.39Å; L330-Y336 HydrophobicContact CG-CE2 4.15Å; L330-Y336 PolarHBondContact N-OH 2.76Å; K333-Y336 PolarHBondContact O-N 2.75Å; Y334-Y336 PolarHBondContact O-N 2.97Å; Y334-Y336 VanDerWaalsContact O-N 3.09Å; Y336-F374 HydrophobicContact CD1-CD2 4.21Å; Y336-F374 AromaticContact CD1-CE2 3.8Å; Y336-F374 HydrophobicContact CD1-CE2 3.8Å; Y336-F374 HydrophobicContact CD1-CZ 4.37Å; Y336-F374 HydrophobicContact CE1-CD2 4.09Å; Y336-F374 HydrophobicContact CE1-CE2 4.05Å; Y336-E377 HydrophobicContact CD1-CB 4.22Å; Y336-E377 HydrophobicContact CE1-CB 3.46Å; Y336-E377 VanDerWaalsContact CE1-CB 3.46Å; Y336-E377 WeakPolarHBondContact CE1-OE2 3.36Å; Y336-E377 PolarHBondContact OH-OE2 2.84Å; Y336-R378 HydrophobicContact CD1-CB 4.09Å; Y336-R378 WeakPolarHBondContact O-CD 3.29Å; Y336-R378 WeakPolarHBondContact O-CG 3.43Å; Y336-R378 PolarHBondContact O-NE 3.26Å; Y336-V381 HydrophobicContact CD2-CG2 3.7Å; Y336-V381 HydrophobicContact CE2-CG2 4.2Å; Y336-V381 HydrophobicContact CG-CG2 3.95Å
337	G	88.8	Confident	89.8	Confident	35 Å²	35	55.8 Å²	55.8	36%	0.361	29%	0.286	S	S	.	.	S	Bend	trans	-73.5	-178.2	176.6	0	0	0	0	0	113.9	Y334	Y334-G337 PolarHBondContact O-N 3.28Å
338	N	83.8	Confident	89.9	Confident	142 Å²	142	52.8 Å²	52.8	76%	0.759	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.4	-35	176	-69.4	-35.1	0	0	0	112.3	A340 R378	N338-A340 PolarHBondContact O-N 3.2Å; N338-R378 PolarHBondContact OD1-NH2 3.1Å
339	D	81	Confident	90	Very high	138 Å²	138	54 Å²	54	74%	0.738	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.2	24.4	-178.3	-52.9	-58.9	0	0	0	112.6	Y334	Y334-D339 PolarHBondContact OH-O 3.34Å
340	A	83	Confident	90.2	Very high	18 Å²	18	56.4 Å²	56.4	15%	0.149	29%	0.286	C	S	.	.			trans	-67.5	151.1	-177.1	0	0	0	0	0	111.8	F335 N338 E342 V345	F335-A340 WeakPolarHBondContact O-CB 3.4Å; N338-A340 PolarHBondContact O-N 3.2Å; A340-E342 PolarHBondContact O-N 2.99Å; A340-E342 VanDerWaalsContact O-N 3.11Å; A340-V345 HydrophobicContact CB-CG2 3.92Å
341	D	83.8	Confident	90.3	Very high	33 Å²	33	56.7 Å²	56.7	18%	0.176	29%	0.288	C	S	.	.			trans	-65	110.9	173.3	-168.9	-57	0	0	0	110.8	F335 E343 V344 V345	F335-D341 HydrophobicContact CD1-CB 4.33Å; F335-D341 HydrophobicContact CE1-CB 4.16Å; D341-E343 VanDerWaalsContact C-N 3.26Å; D341-E343 PolarHBondContact O-N 2.94Å; D341-E343 WeakPolarHBondContact OD1-CA 3.43Å; D341-E343 WeakPolarHBondContact OD1-CB 3.33Å; D341-E343 PolarHBondContact OD1-N 3.32Å; D341-V344 HydrophobicContact CB-CB 4.15Å; D341-V344 HydrophobicContact CB-CG2 3.98Å; D341-V344 PolarHBondContact O-N 3.12Å; D341-V344 PolarHBondContact OD1-N 3.17Å; D341-V345 WeakPolarHBondContact O-CG2 3.41Å; D341-V345 PolarHBondContact O-N 3.29Å
342	E	87.6	Confident	90.7	Very high	169 Å²	169	53.9 Å²	53.9	79%	0.79	27%	0.27	S	S	*	.	H	α-helix	trans	-61.9	-31.1	-176.9	-68.3	-169.5	170	0	0	112.8	A340 R346	A340-E342 PolarHBondContact O-N 2.99Å; A340-E342 VanDerWaalsContact O-N 3.11Å; E342-R346 WeakPolarHBondContact O-CB 3.27Å; E342-R346 PolarHBondContact O-N 3.17Å
343	E	88	Confident	90.9	Very high	102 Å²	102	54.7 Å²	54.7	48%	0.477	27%	0.269	S	S	.	.	H	α-helix	trans	-68.5	-44.9	178.1	-172.9	-179.4	158	0	0	110.2	D341 R346 G347 K828	D341-E343 VanDerWaalsContact C-N 3.26Å; D341-E343 PolarHBondContact O-N 2.94Å; D341-E343 WeakPolarHBondContact OD1-CA 3.43Å; D341-E343 WeakPolarHBondContact OD1-CB 3.33Å; D341-E343 PolarHBondContact OD1-N 3.32Å; E343-R346 PolarHBondContact O-N 3Å; E343-G347 PolarHBondContact O-N 2.89Å; E343-K828 IonicContact OE1-NZ 2.52Å; E343-K828 PolarHBondContact OE1-NZ 3.23Å
344	V	90.1	Very high	91.2	Very high	4 Å²	4	54.9 Å²	54.9	2%	0.024	27%	0.272	C	S	.	.	H	α-helix	trans	-64.4	-47.9	177.9	176.6	0	0	0	0	111	L330 F335 D341 R346 G347 Y348 L486	L330-V344 HydrophobicContact CD2-CG1 4.11Å; F335-V344 HydrophobicContact CD1-CB 4Å; F335-V344 HydrophobicContact CD1-CG1 3.72Å; F335-V344 HydrophobicContact CD1-CG2 4.46Å; F335-V344 HydrophobicContact CE1-CB 4.01Å; F335-V344 HydrophobicContact CE1-CG1 3.83Å; F335-V344 HydrophobicContact CE1-CG2 3.97Å; F335-V344 HydrophobicContact CG-CG1 4.14Å; F335-V344 HydrophobicContact CZ-CG1 4.34Å; D341-V344 HydrophobicContact CB-CB 4.15Å; D341-V344 HydrophobicContact CB-CG2 3.98Å; D341-V344 PolarHBondContact O-N 3.12Å; D341-V344 PolarHBondContact OD1-N 3.17Å; V344-R346 VanDerWaalsContact C-N 3.32Å; V344-R346 PolarHBondContact O-N 3.3Å; V344-G347 PolarHBondContact O-N 3.35Å; V344-Y348 PolarHBondContact O-N 3.19Å; V344-L486 HydrophobicContact CG1-CD1 3.79Å; V344-L486 HydrophobicContact CG2-CD1 3.89Å
345	V	93.7	Very high	91.6	Very high	22 Å²	22	51.5 Å²	51.5	13%	0.133	26%	0.259	C	S	.	.	H	α-helix	trans	-60.8	-44	178.5	171.9	0	0	0	0	110.7	F335 A340 D341 Y348 K349 F374	F335-V345 VanDerWaalsContact O-CG2 3.25Å; F335-V345 WeakPolarHBondContact O-CG2 3.31Å; A340-V345 HydrophobicContact CB-CG2 3.92Å; D341-V345 WeakPolarHBondContact O-CG2 3.41Å; D341-V345 PolarHBondContact O-N 3.29Å; V345-Y348 PolarHBondContact O-N 3.13Å; V345-K349 PolarHBondContact O-N 3.34Å; V345-F374 HydrophobicContact CG1-CD2 4.49Å; V345-F374 HydrophobicContact CG1-CE1 4.18Å; V345-F374 HydrophobicContact CG1-CE2 3.74Å; V345-F374 HydrophobicContact CG1-CZ 3.55Å; V345-F374 HydrophobicContact CG2-CE2 4.38Å; V345-F374 HydrophobicContact CG2-CZ 4.35Å
346	R	93.9	Very high	91.7	Very high	180 Å²	180	51.5 Å²	51.5	68%	0.679	26%	0.259	S	S	*	.	H	α-helix	trans	-62.6	-45.4	175.4	-178.7	179	178.7	176.8	-0.4	111.4	E342 E343 V344 Y348 K349 L350	E342-R346 WeakPolarHBondContact O-CB 3.27Å; E342-R346 PolarHBondContact O-N 3.17Å; E343-R346 PolarHBondContact O-N 3Å; V344-R346 VanDerWaalsContact C-N 3.32Å; V344-R346 PolarHBondContact O-N 3.3Å; R346-Y348 VanDerWaalsContact C-N 3.27Å; R346-Y348 PolarHBondContact O-N 3.39Å; R346-K349 PolarHBondContact O-N 2.84Å; R346-L350 HydrophobicContact CG-CD1 4.15Å; R346-L350 HydrophobicContact CG-CG 4.45Å; R346-L350 VanDerWaalsContact O-CG 3.26Å; R346-L350 WeakPolarHBondContact O-CG 3.47Å; R346-L350 PolarHBondContact O-N 2.83Å
347	G	94.4	Very high	91.7	Very high	8 Å²	8	54.4 Å²	54.4	8%	0.082	27%	0.274	C	S	.	.	H	α-helix	trans	-56.7	-41.4	176.9	0	0	0	0	0	112.2	E343 V344 L350 L351	E343-G347 PolarHBondContact O-N 2.89Å; V344-G347 PolarHBondContact O-N 3.35Å; G347-L350 PolarHBondContact O-N 3.45Å; G347-L351 PolarHBondContact O-N 3.21Å
348	Y	96.2	Very high	91.9	Very high	1 Å²	1	54.2 Å²	54.2	0%	0.004	26%	0.264	C	S	.	.	H	α-helix	trans	-68.8	-42.4	177.8	-178.5	-120.1	0	0	0	113.1	G329 L330 V344 V345 R346 L350 L351 L352 F374 E377 W461 F482	G329-Y348 VanDerWaalsContact CA-OH 3.29Å; G329-Y348 WeakPolarHBondContact CA-OH 3.34Å; L330-Y348 HydrophobicContact CD1-CD1 3.95Å; L330-Y348 HydrophobicContact CD1-CE1 4.46Å; L330-Y348 HydrophobicContact CD1-CG 4.4Å; L330-Y348 HydrophobicContact CD2-CD1 3.93Å; L330-Y348 HydrophobicContact CD2-CD2 3.96Å; L330-Y348 HydrophobicContact CD2-CG 3.53Å; L330-Y348 HydrophobicContact CG-CD1 3.77Å; L330-Y348 HydrophobicContact CG-CD2 4.34Å; L330-Y348 HydrophobicContact CG-CE1 4.14Å; L330-Y348 HydrophobicContact CG-CG 3.88Å; V344-Y348 PolarHBondContact O-N 3.19Å; V345-Y348 PolarHBondContact O-N 3.13Å; R346-Y348 VanDerWaalsContact C-N 3.27Å; R346-Y348 PolarHBondContact O-N 3.39Å; Y348-L350 VanDerWaalsContact C-N 3.3Å; Y348-L350 PolarHBondContact O-N 3.49Å; Y348-L351 HydrophobicContact CD2-CD2 4.28Å; Y348-L351 WeakPolarHBondContact O-CB 3.14Å; Y348-L351 PolarHBondContact O-N 2.78Å; Y348-L352 HydrophobicContact CD1-CD1 4.12Å; Y348-L352 HydrophobicContact CE1-CD1 3.71Å; Y348-L352 HydrophobicContact CE1-CG 4.48Å; Y348-L352 HydrophobicContact CE2-CD1 4.45Å; Y348-L352 HydrophobicContact CE2-CG 4.38Å; Y348-L352 PolarHBondContact O-N 2.9Å; Y348-F374 AromaticContact CD1-CD2 3.97Å; Y348-F374 HydrophobicContact CD1-CD2 3.97Å; Y348-F374 HydrophobicContact CE1-CD2 4.22Å; Y348-E377 VanDerWaalsContact CE1-OE2 3.27Å; Y348-E377 WeakPolarHBondContact CE1-OE2 3.48Å; Y348-E377 PolarHBondContact OH-OE1 3.36Å; Y348-E377 PolarHBondContact OH-OE2 3.47Å; Y348-W461 HydrophobicContact CE2-CZ2 4.03Å; Y348-W461 AromaticContact CZ-NE1 3.83Å; Y348-W461 PolarHBondContact OH-NE1 2.99Å; Y348-F482 HydrophobicContact CD2-CE2 4.35Å; Y348-F482 HydrophobicContact CD2-CZ 4.25Å; Y348-F482 HydrophobicContact CG-CE2 4.48Å
349	K	96.4	Very high	92.1	Very high	53 Å²	53	47.9 Å²	47.9	23%	0.23	23%	0.23	C	C	.	.	H	α-helix	trans	-61.9	-38.3	172.9	-71.6	-174.5	174.5	-160.7	0	112.2	V345 R346 L352 R353 A370 D371 F374	V345-K349 PolarHBondContact O-N 3.34Å; R346-K349 PolarHBondContact O-N 2.84Å; K349-L352 PolarHBondContact O-N 3.31Å; K349-R353 WeakPolarHBondContact O-CB 3.36Å; K349-R353 PolarHBondContact O-N 3Å; K349-A370 WeakPolarHBondContact O-CB 3.43Å; K349-D371 WeakPolarHBondContact CE-OD1 3.41Å; K349-D371 IonicContact NZ-OD1 3.3Å; K349-D371 PolarHBondContact NZ-OD1 3.07Å; K349-F374 HydrophobicContact CG-CB 4.33Å; K349-F374 HydrophobicContact CG-CG 4.39Å
350	L	96.1	Very high	92.5	Very high	56 Å²	56	44.2 Å²	44.2	29%	0.293	23%	0.225	S	C	.	.	H	α-helix	trans	-63.7	-43	174.5	-69.2	172.2	0	0	0	111.6	R346 G347 Y348 L352 R353 D354	R346-L350 HydrophobicContact CG-CD1 4.15Å; R346-L350 HydrophobicContact CG-CG 4.45Å; R346-L350 VanDerWaalsContact O-CG 3.26Å; R346-L350 WeakPolarHBondContact O-CG 3.47Å; R346-L350 PolarHBondContact O-N 2.83Å; G347-L350 PolarHBondContact O-N 3.45Å; Y348-L350 VanDerWaalsContact C-N 3.3Å; Y348-L350 PolarHBondContact O-N 3.49Å; L350-L352 PolarHBondContact O-N 2.01Å; L350-R353 VanDerWaalsContact CD2-NH1 3.3Å; L350-R353 PolarHBondContact O-N 3.32Å; L350-D354 VanDerWaalsContact O-CB 3.31Å; L350-D354 WeakPolarHBondContact O-CB 3.46Å; L350-D354 PolarHBondContact O-N 3.21Å
351	L	96.8	Very high	92.8	Very high	11 Å²	11	44 Å²	44	6%	0.058	22%	0.221	C	C	.	.	H	α-helix	trans	-56.1	-49	173.8	169.2	62.4	0	0	0	111.7	G347 Y348 F355 W461 L468 L478 F482	G347-L351 PolarHBondContact O-N 3.21Å; Y348-L351 HydrophobicContact CD2-CD2 4.28Å; Y348-L351 WeakPolarHBondContact O-CB 3.14Å; Y348-L351 PolarHBondContact O-N 2.78Å; L351-F355 VanDerWaalsContact O-CB 3.27Å; L351-F355 WeakPolarHBondContact O-CB 3.13Å; L351-F355 PolarHBondContact O-N 3.42Å; L351-W461 HydrophobicContact CD1-CH2 4.29Å; L351-W461 HydrophobicContact CD2-CH2 4.01Å; L351-W461 HydrophobicContact CD2-CZ2 4.05Å; L351-W461 HydrophobicContact CG-CH2 3.8Å; L351-W461 HydrophobicContact CG-CZ2 4.22Å; L351-L468 HydrophobicContact CD1-CD1 4.06Å; L351-L478 HydrophobicContact CD1-CB 3.64Å; L351-F482 HydrophobicContact CB-CB 4.18Å; L351-F482 HydrophobicContact CB-CG 4.48Å; L351-F482 HydrophobicContact CD2-CB 3.96Å; L351-F482 HydrophobicContact CD2-CD1 3.91Å; L351-F482 HydrophobicContact CD2-CG 3.89Å; L351-F482 HydrophobicContact CG-CB 4.49Å
352	L	96.5	Very high	93.1	Very high	0 Å²	0	47 Å²	47	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-60.4	-46.3	177.8	-73.6	167.6	0	0	0	112.3	Y348 K349 L350 A356 F369 A370 I373 W461	Y348-L352 HydrophobicContact CD1-CD1 4.12Å; Y348-L352 HydrophobicContact CE1-CD1 3.71Å; Y348-L352 HydrophobicContact CE1-CG 4.48Å; Y348-L352 HydrophobicContact CE2-CD1 4.45Å; Y348-L352 HydrophobicContact CE2-CG 4.38Å; Y348-L352 PolarHBondContact O-N 2.9Å; K349-L352 PolarHBondContact O-N 3.31Å; L350-L352 PolarHBondContact O-N 2.01Å; L352-A356 PolarHBondContact O-N 2.88Å; L352-A356 VanDerWaalsContact O-N 3.08Å; L352-F369 HydrophobicContact CD2-CE1 4.48Å; L352-A370 HydrophobicContact CB-CB 3.6Å; L352-A370 HydrophobicContact CD1-CB 4.44Å; L352-I373 HydrophobicContact CD1-CB 4.16Å; L352-I373 HydrophobicContact CD1-CG2 3.93Å; L352-I373 HydrophobicContact CD2-CB 4.3Å; L352-I373 HydrophobicContact CD2-CD1 3.96Å; L352-I373 HydrophobicContact CD2-CG2 3.9Å; L352-W461 HydrophobicContact CD2-CD2 3.39Å; L352-W461 HydrophobicContact CD2-CE3 3.82Å; L352-W461 HydrophobicContact CD2-CG 3.83Å; L352-W461 HydrophobicContact CD2-CH2 4.02Å; L352-W461 HydrophobicContact CD2-CZ2 3.59Å; L352-W461 HydrophobicContact CD2-CZ3 4.12Å; L352-W461 HydrophobicContact CG-CZ2 4.25Å
353	R	95.9	Very high	93	Very high	66 Å²	66	42 Å²	42	25%	0.249	22%	0.224	C	C	.	.	H	α-helix	trans	-63	-50.2	179.3	-178.4	-159.2	70.6	-171.2	-2	111.1	K349 L350 F355 A356 I357 A366 D367 A370	K349-R353 WeakPolarHBondContact O-CB 3.36Å; K349-R353 PolarHBondContact O-N 3Å; L350-R353 VanDerWaalsContact CD2-NH1 3.3Å; L350-R353 PolarHBondContact O-N 3.32Å; R353-F355 VanDerWaalsContact C-N 3.3Å; R353-F355 PolarHBondContact O-N 3.46Å; R353-A356 WeakPolarHBondContact O-CB 3.38Å; R353-A356 PolarHBondContact O-N 3.35Å; R353-A356 VanDerWaalsContact O-N 3.13Å; R353-I357 HydrophobicContact CG-CD1 3.97Å; R353-I357 WeakPolarHBondContact O-CG1 2.98Å; R353-I357 PolarHBondContact O-N 3.48Å; R353-A366 HydrophobicContact CG-CB 3.92Å; R353-D367 WeakPolarHBondContact CD-OD1 3.46Å; R353-D367 WeakPolarHBondContact CG-OD1 3.29Å; R353-A370 HydrophobicContact CB-CB 4.12Å
354	D	96.1	Very high	93	Very high	44 Å²	44	46.8 Å²	46.8	24%	0.235	24%	0.238	C	C	.	.	H	α-helix	trans	-69.8	-31.9	-175	-66.3	-16.1	0	0	0	111.2	L350 I357 N358 L478	L350-D354 VanDerWaalsContact O-CB 3.31Å; L350-D354 WeakPolarHBondContact O-CB 3.46Å; L350-D354 PolarHBondContact O-N 3.21Å; D354-I357 PolarHBondContact O-N 2.8Å; D354-N358 WeakPolarHBondContact O-CB 3.47Å; D354-N358 PolarHBondContact O-N 2.72Å; D354-L478 HydrophobicContact CB-CD1 4.32Å; D354-L478 HydrophobicContact CB-CD2 3.63Å
355	F	95.4	Very high	92.9	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-60.3	-49	167.8	167.8	-104.8	0	0	0	111.7	L264 W274 L351 R353 I357 N358 M359 F369 W461 A464 L468 Y475 L478	L264-F355 HydrophobicContact CD1-CE2 4.18Å; W274-F355 AromaticContact CH2-CE1 3.92Å; W274-F355 HydrophobicContact CH2-CE1 3.92Å; W274-F355 HydrophobicContact CZ2-CE1 4.5Å; W274-F355 HydrophobicContact CZ3-CE1 4.39Å; L351-F355 VanDerWaalsContact O-CB 3.27Å; L351-F355 WeakPolarHBondContact O-CB 3.13Å; L351-F355 PolarHBondContact O-N 3.42Å; R353-F355 VanDerWaalsContact C-N 3.3Å; R353-F355 PolarHBondContact O-N 3.46Å; F355-I357 VanDerWaalsContact C-N 3.34Å; F355-I357 PolarHBondContact O-N 2.96Å; F355-N358 PolarHBondContact O-N 3.39Å; F355-M359 HydrophobicContact CD2-CG 4.38Å; F355-M359 HydrophobicContact CE1-CG 4.38Å; F355-M359 HydrophobicContact CE2-CG 3.82Å; F355-M359 HydrophobicContact CZ-CG 3.81Å; F355-M359 PolarHBondContact O-N 3.45Å; F355-F369 HydrophobicContact CD1-CE1 4.35Å; F355-W461 HydrophobicContact CB-CZ3 4.01Å; F355-W461 AromaticContact CD1-CE3 3.84Å; F355-W461 HydrophobicContact CD1-CE3 3.84Å; F355-W461 AromaticContact CD1-CZ3 3.69Å; F355-W461 HydrophobicContact CD1-CZ3 3.69Å; F355-W461 HydrophobicContact CD2-CZ3 4.36Å; F355-W461 HydrophobicContact CE1-CE3 4.09Å; F355-W461 HydrophobicContact CE1-CZ3 4.28Å; F355-W461 HydrophobicContact CG-CE3 4.35Å; F355-W461 AromaticContact CG-CZ3 3.74Å; F355-W461 HydrophobicContact CG-CZ3 3.74Å; F355-A464 HydrophobicContact CE1-CB 4.04Å; F355-A464 HydrophobicContact CE2-CB 3.75Å; F355-A464 HydrophobicContact CZ-CB 3.37Å; F355-L468 HydrophobicContact CD2-CD2 3.9Å; F355-L468 HydrophobicContact CE2-CD2 4.3Å; F355-Y475 HydrophobicContact CD2-CD1 4.2Å; F355-Y475 AromaticContact CD2-CE1 3.92Å; F355-Y475 HydrophobicContact CD2-CE1 3.92Å; F355-Y475 HydrophobicContact CE2-CE1 4.06Å; F355-L478 HydrophobicContact CB-CD1 4.08Å
356	A	93.7	Very high	92.9	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-60.6	-42.5	178.1	0	0	0	0	0	112	L352 R353 M359 G360 I361 A366 F369	L352-A356 PolarHBondContact O-N 2.88Å; L352-A356 VanDerWaalsContact O-N 3.08Å; R353-A356 WeakPolarHBondContact O-CB 3.38Å; R353-A356 PolarHBondContact O-N 3.35Å; R353-A356 VanDerWaalsContact O-N 3.13Å; A356-M359 PolarHBondContact O-N 2.91Å; A356-G360 PolarHBondContact O-N 3.37Å; A356-I361 HydrophobicContact CB-CB 4.16Å; A356-I361 HydrophobicContact CB-CD1 3.74Å; A356-I361 HydrophobicContact CB-CG1 4.45Å; A356-I361 VanDerWaalsContact O-CB 3.28Å; A356-I361 WeakPolarHBondContact O-CB 3.01Å; A356-I361 PolarHBondContact O-N 3.09Å; A356-A366 HydrophobicContact CB-CB 3.74Å; A356-F369 HydrophobicContact CB-CD1 3.58Å; A356-F369 HydrophobicContact CB-CE1 3.96Å; A356-F369 HydrophobicContact CB-CG 4.29Å
357	I	93.9	Very high	92.8	Very high	61 Å²	61	43.4 Å²	43.4	31%	0.313	23%	0.231	S	C	.	.	H	α-helix	trans	-61.2	-44.8	174.3	-67.9	169.5	0	0	0	110.7	R353 D354 F355 M359 G360 A366	R353-I357 HydrophobicContact CG-CD1 3.97Å; R353-I357 WeakPolarHBondContact O-CG1 2.98Å; R353-I357 PolarHBondContact O-N 3.48Å; D354-I357 PolarHBondContact O-N 2.8Å; F355-I357 VanDerWaalsContact C-N 3.34Å; F355-I357 PolarHBondContact O-N 2.96Å; I357-M359 PolarHBondContact O-N 2.87Å; I357-G360 PolarHBondContact O-N 3.23Å; I357-A366 HydrophobicContact CD1-CB 4.38Å; I357-A366 HydrophobicContact CG1-CB 3.7Å
358	N	93	Very high	92.6	Very high	30 Å²	30	47.8 Å²	47.8	16%	0.16	25%	0.252	C	S	.	.	H	α-helix	trans	-60.4	-34.2	178.3	-89.9	-9	0	0	0	112.7	K257 D354 F355 G360 E474 Y475	K257-N358 WeakPolarHBondContact CE-O 3.48Å; K257-N358 PolarHBondContact NZ-O 3.41Å; K257-N358 PolarHBondContact NZ-OD1 2.96Å; D354-N358 WeakPolarHBondContact O-CB 3.47Å; D354-N358 PolarHBondContact O-N 2.72Å; F355-N358 PolarHBondContact O-N 3.39Å; N358-G360 PolarHBondContact O-N 3.17Å; N358-E474 PolarHBondContact ND2-O 3.44Å; N358-E474 VanDerWaalsContact ND2-O 3.08Å; N358-Y475 HydrophobicContact CB-CE1 3.84Å
359	M	89.6	Confident	92.4	Very high	9 Å²	9	48.2 Å²	48.2	4%	0.044	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.1	-0.6	174.6	-74.2	-68	-72.9	0	0	114.4	L264 K265 I268 W274 F277 F355 A356 I357 Y475	L264-M359 HydrophobicContact CB-CE 4.27Å; L264-M359 HydrophobicContact CB-SD 4.13Å; L264-M359 HydrophobicContact CD1-SD 3.77Å; K265-M359 HydrophobicContact CG-CE 4.34Å; I268-M359 HydrophobicContact CD1-CE 3.69Å; W274-M359 HydrophobicContact CE3-CE 4.36Å; W274-M359 HydrophobicContact CH2-CB 4.44Å; W274-M359 HydrophobicContact CZ3-CB 4.01Å; W274-M359 HydrophobicContact CZ3-CE 4.01Å; W274-M359 HydrophobicContact CZ3-CG 4.17Å; F277-M359 WeakPolarHBondContact CE1-O 3.31Å; F277-M359 HydrophobicContact CE2-CE 4.29Å; F277-M359 HydrophobicContact CZ-CB 4.34Å; F277-M359 HydrophobicContact CZ-CE 4.13Å; F277-M359 WeakPolarHBondContact CZ-O 3.44Å; F355-M359 HydrophobicContact CD2-CG 4.38Å; F355-M359 HydrophobicContact CE1-CG 4.38Å; F355-M359 HydrophobicContact CE2-CG 3.82Å; F355-M359 HydrophobicContact CZ-CG 3.81Å; F355-M359 PolarHBondContact O-N 3.45Å; A356-M359 PolarHBondContact O-N 2.91Å; I357-M359 PolarHBondContact O-N 2.87Å; M359-Y475 PolarHBondContact SD-OH 3.05Å; M359-Y475 VanDerWaalsContact SD-OH 3.32Å
360	G	89	Confident	92.3	Very high	61 Å²	61	45.8 Å²	45.8	63%	0.629	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	95.2	14.7	175	0	0	0	0	0	115.2	A356 I357 N358	A356-G360 PolarHBondContact O-N 3.37Å; I357-G360 PolarHBondContact O-N 3.23Å; N358-G360 PolarHBondContact O-N 3.17Å
361	I	88.7	Confident	92.3	Very high	13 Å²	13	46 Å²	46	7%	0.067	25%	0.245	C	C	.	.			trans	-79.9	137.6	173.7	-60.5	169.2	0	0	0	109.3	W274 A276 F277 A356 E365 A366	W274-I361 HydrophobicContact CH2-CD1 3.42Å; W274-I361 VanDerWaalsContact CH2-CD1 3.42Å; W274-I361 HydrophobicContact CZ2-CD1 3.83Å; W274-I361 HydrophobicContact CZ3-CD1 4.14Å; A276-I361 HydrophobicContact CB-CD1 3.59Å; F277-I361 HydrophobicContact CE1-CG1 4.48Å; A356-I361 HydrophobicContact CB-CB 4.16Å; A356-I361 HydrophobicContact CB-CD1 3.74Å; A356-I361 HydrophobicContact CB-CG1 4.45Å; A356-I361 VanDerWaalsContact O-CB 3.28Å; A356-I361 WeakPolarHBondContact O-CB 3.01Å; A356-I361 PolarHBondContact O-N 3.09Å; I361-E365 HydrophobicContact CG2-CB 3.7Å; I361-A366 HydrophobicContact CG2-CB 4.12Å
362	V	89.3	Confident	92.1	Very high	97 Å²	97	48.3 Å²	48.3	59%	0.588	26%	0.257	S	S	*	.			trans	-64.8	138	179.7	-179.7	0	0	0	0	109.9	R364 E365 A366	V362-R364 VanDerWaalsContact C-N 3.3Å; V362-R364 PolarHBondContact O-N 3.39Å; V362-E365 CarbonylContact O-C 3.53Å; V362-E365 WeakPolarHBondContact O-CA 3.04Å; V362-E365 WeakPolarHBondContact O-CB 3.11Å; V362-E365 PolarHBondContact O-N 2.91Å; V362-A366 PolarHBondContact O-N 2.97Å
363	S	86.4	Confident	92.1	Very high	64 Å²	64	48.4 Å²	48.4	45%	0.448	26%	0.258	S	S	.	.	H	α-helix	trans	-43.9	-48	-174.2	-171.8	0	0	0	0	114.5	E365 A366 D367	S363-E365 VanDerWaalsContact C-N 3.33Å; S363-E365 PolarHBondContact O-N 3.4Å; S363-A366 WeakPolarHBondContact O-CB 3.34Å; S363-A366 PolarHBondContact O-N 3.44Å; S363-A366 VanDerWaalsContact O-N 3.16Å; S363-D367 PolarHBondContact O-N 3.44Å
364	R	88.3	Confident	92.1	Very high	203 Å²	203	45.8 Å²	45.8	77%	0.766	25%	0.248	S	C	*	.	H	α-helix	trans	-63.4	-36.9	179.6	-177.3	-179.9	176.4	179.5	0	113.1	V362	V362-R364 VanDerWaalsContact C-N 3.3Å; V362-R364 PolarHBondContact O-N 3.39Å
365	E	88.3	Confident	92.1	Very high	67 Å²	67	48.4 Å²	48.4	31%	0.313	26%	0.259	S	S	.	.	H	α-helix	trans	-75.9	-30.3	176.3	-64.9	179.8	163.7	0	0	111.1	R278 I361 V362 S363 L368 F369	R278-E365 IonicContact CZ-OE1 3.15Å; R278-E365 IonicContact NE-OE1 3.93Å; R278-E365 IonicContact NH2-OE1 2.76Å; R278-E365 PolarHBondContact NH2-OE1 2.57Å; I361-E365 HydrophobicContact CG2-CB 3.7Å; V362-E365 CarbonylContact O-C 3.53Å; V362-E365 WeakPolarHBondContact O-CA 3.04Å; V362-E365 WeakPolarHBondContact O-CB 3.11Å; V362-E365 PolarHBondContact O-N 2.91Å; S363-E365 VanDerWaalsContact C-N 3.33Å; S363-E365 PolarHBondContact O-N 3.4Å; E365-L368 PolarHBondContact O-N 3.45Å; E365-F369 WeakPolarHBondContact O-CB 3.35Å; E365-F369 PolarHBondContact O-N 3.06Å
366	A	92.2	Very high	92.3	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-67.4	-37.2	175.3	0	0	0	0	0	112.5	R353 A356 I357 I361 V362 S363 F369 A370	R353-A366 HydrophobicContact CG-CB 3.92Å; A356-A366 HydrophobicContact CB-CB 3.74Å; I357-A366 HydrophobicContact CD1-CB 4.38Å; I357-A366 HydrophobicContact CG1-CB 3.7Å; I361-A366 HydrophobicContact CG2-CB 4.12Å; V362-A366 PolarHBondContact O-N 2.97Å; S363-A366 WeakPolarHBondContact O-CB 3.34Å; S363-A366 PolarHBondContact O-N 3.44Å; S363-A366 VanDerWaalsContact O-N 3.16Å; A366-F369 WeakPolarHBondContact O-CB 3.4Å; A366-F369 PolarHBondContact O-N 3.28Å; A366-A370 PolarHBondContact O-N 3.41Å
367	D	92.3	Very high	92.4	Very high	68 Å²	68	48.9 Å²	48.9	36%	0.364	26%	0.261	S	S	.	.	H	α-helix	trans	-61.8	-47.2	173.1	-68.5	-48.9	0	0	0	111	R353 S363 F369 A370 D371	R353-D367 WeakPolarHBondContact CD-OD1 3.46Å; R353-D367 WeakPolarHBondContact CG-OD1 3.29Å; S363-D367 PolarHBondContact O-N 3.44Å; D367-F369 VanDerWaalsContact C-N 3.31Å; D367-F369 PolarHBondContact O-N 3.08Å; D367-A370 PolarHBondContact O-N 3.4Å; D367-D371 PolarHBondContact O-N 3.3Å
368	L	91	Very high	92.6	Very high	100 Å²	100	49 Å²	49	52%	0.524	26%	0.257	S	S	.	.	H	α-helix	trans	-62.2	-38.6	175.9	-67.2	173.8	0	0	0	112	E365 D371 D372	E365-L368 PolarHBondContact O-N 3.45Å; L368-D371 PolarHBondContact O-N 3.04Å; L368-D372 VanDerWaalsContact O-CB 3.27Å; L368-D372 WeakPolarHBondContact O-CB 2.87Å; L368-D372 VanDerWaalsContact O-CG 3.23Å; L368-D372 PolarHBondContact O-N 2.9Å
369	F	90.8	Very high	92.8	Very high	9 Å²	9	51.8 Å²	51.8	4%	0.039	27%	0.266	C	S	.	.	H	α-helix	trans	-61.8	-43.8	174.8	167.4	-97.5	0	0	0	112.1	W274 L352 F355 A356 E365 A366 D367 D372 I373 N457	W274-F369 AromaticContact CE2-CE2 3.92Å; W274-F369 HydrophobicContact CH2-CE2 4.49Å; W274-F369 HydrophobicContact CH2-CZ 4.28Å; W274-F369 HydrophobicContact CZ2-CD2 4.06Å; W274-F369 HydrophobicContact CZ2-CE1 4.28Å; W274-F369 AromaticContact CZ2-CE2 3.37Å; W274-F369 HydrophobicContact CZ2-CE2 3.37Å; W274-F369 AromaticContact CZ2-CZ 3.47Å; W274-F369 HydrophobicContact CZ2-CZ 3.47Å; W274-F369 VanDerWaalsContact CZ2-CZ 3.47Å; W274-F369 AromaticContact NE1-CE2 3.86Å; L352-F369 HydrophobicContact CD2-CE1 4.48Å; F355-F369 HydrophobicContact CD1-CE1 4.35Å; A356-F369 HydrophobicContact CB-CD1 3.58Å; A356-F369 HydrophobicContact CB-CE1 3.96Å; A356-F369 HydrophobicContact CB-CG 4.29Å; E365-F369 WeakPolarHBondContact O-CB 3.35Å; E365-F369 PolarHBondContact O-N 3.06Å; A366-F369 WeakPolarHBondContact O-CB 3.4Å; A366-F369 PolarHBondContact O-N 3.28Å; D367-F369 VanDerWaalsContact C-N 3.31Å; D367-F369 PolarHBondContact O-N 3.08Å; F369-D372 PolarHBondContact O-N 3.44Å; F369-I373 HydrophobicContact CD1-CD1 4.38Å; F369-I373 HydrophobicContact CD2-CD1 4.1Å; F369-I373 HydrophobicContact CE1-CD1 3.67Å; F369-I373 HydrophobicContact CE2-CD1 3.3Å; F369-I373 HydrophobicContact CE2-CG1 4.11Å; F369-I373 HydrophobicContact CZ-CD1 3.08Å; F369-I373 HydrophobicContact CZ-CG1 4.26Å; F369-I373 PolarHBondContact O-N 3.3Å; F369-I373 VanDerWaalsContact O-N 3.08Å; F369-N457 HydrophobicContact CE2-CB 4.08Å
370	A	95.3	Very high	93.2	Very high	3 Å²	3	51.5 Å²	51.5	3%	0.025	26%	0.264	C	S	.	.	H	α-helix	trans	-63.4	-44.8	177.7	0	0	0	0	0	111.7	K349 L352 R353 A366 D367 F374	K349-A370 WeakPolarHBondContact O-CB 3.43Å; L352-A370 HydrophobicContact CB-CB 3.6Å; L352-A370 HydrophobicContact CD1-CB 4.44Å; R353-A370 HydrophobicContact CB-CB 4.12Å; A366-A370 PolarHBondContact O-N 3.41Å; D367-A370 PolarHBondContact O-N 3.4Å; A370-F374 WeakPolarHBondContact O-CB 3.32Å; A370-F374 PolarHBondContact O-N 2.75Å
371	D	94.9	Very high	93.6	Very high	59 Å²	59	48.9 Å²	48.9	32%	0.316	24%	0.236	S	C	.	.	H	α-helix	trans	-64.4	-45.4	175.8	-77.6	-29.2	0	0	0	111.9	K349 D367 L368 I373 F374 H375	K349-D371 WeakPolarHBondContact CE-OD1 3.41Å; K349-D371 IonicContact NZ-OD1 3.3Å; K349-D371 PolarHBondContact NZ-OD1 3.07Å; D367-D371 PolarHBondContact O-N 3.3Å; L368-D371 PolarHBondContact O-N 3.04Å; D371-I373 VanDerWaalsContact C-N 3.34Å; D371-I373 PolarHBondContact O-N 2.69Å; D371-F374 PolarHBondContact O-N 2.96Å; D371-H375 WeakPolarHBondContact O-CB 3.34Å; D371-H375 PolarHBondContact O-CD2 3.21Å; D371-H375 PolarHBondContact O-N 3.44Å
372	D	93.9	Very high	93.9	Very high	61 Å²	61	51.8 Å²	51.8	33%	0.326	25%	0.251	S	S	.	.	H	α-helix	trans	-56.1	-46.6	178.4	-82.7	-4.4	0	0	0	111.3	L368 F369 Y376 K453	L368-D372 VanDerWaalsContact O-CB 3.27Å; L368-D372 WeakPolarHBondContact O-CB 2.87Å; L368-D372 VanDerWaalsContact O-CG 3.23Å; L368-D372 PolarHBondContact O-N 2.9Å; F369-D372 PolarHBondContact O-N 3.44Å; D372-Y376 VanDerWaalsContact O-CB 3.28Å; D372-Y376 WeakPolarHBondContact O-CB 3.38Å; D372-Y376 PolarHBondContact O-N 3.16Å; D372-K453 IonicContact OD2-NZ 3.9Å; D372-K453 PolarHBondContact OD2-NZ 2.96Å
373	I	95.9	Very high	94.2	Very high	2 Å²	2	49.3 Å²	49.3	1%	0.01	23%	0.233	C	C	.	.	H	α-helix	trans	-67.1	-49.3	178.5	-73.6	178.7	0	0	0	111.1	L352 F369 D371 H375 Y376 E377 N457 W461	L352-I373 HydrophobicContact CD1-CB 4.16Å; L352-I373 HydrophobicContact CD1-CG2 3.93Å; L352-I373 HydrophobicContact CD2-CB 4.3Å; L352-I373 HydrophobicContact CD2-CD1 3.96Å; L352-I373 HydrophobicContact CD2-CG2 3.9Å; F369-I373 HydrophobicContact CD1-CD1 4.38Å; F369-I373 HydrophobicContact CD2-CD1 4.1Å; F369-I373 HydrophobicContact CE1-CD1 3.67Å; F369-I373 HydrophobicContact CE2-CD1 3.3Å; F369-I373 HydrophobicContact CE2-CG1 4.11Å; F369-I373 HydrophobicContact CZ-CD1 3.08Å; F369-I373 HydrophobicContact CZ-CG1 4.26Å; F369-I373 PolarHBondContact O-N 3.3Å; F369-I373 VanDerWaalsContact O-N 3.08Å; D371-I373 VanDerWaalsContact C-N 3.34Å; D371-I373 PolarHBondContact O-N 2.69Å; I373-H375 VanDerWaalsContact C-N 3.31Å; I373-H375 PolarHBondContact O-N 3.19Å; I373-Y376 PolarHBondContact O-N 2.91Å; I373-Y376 VanDerWaalsContact O-N 3.16Å; I373-E377 HydrophobicContact CG2-CG 4.3Å; I373-E377 PolarHBondContact O-N 2.9Å; I373-N457 HydrophobicContact CD1-CB 4.17Å; I373-N457 HydrophobicContact CG1-CB 3.94Å; I373-W461 HydrophobicContact CD1-CB 3.71Å; I373-W461 HydrophobicContact CD1-CG 4.08Å; I373-W461 HydrophobicContact CG2-CG 4.45Å
374	F	96.8	Very high	94.6	Very high	11 Å²	11	46.5 Å²	46.5	5%	0.048	21%	0.213	C	C	.	.	H	α-helix	trans	-58.9	-44.7	-178.8	174.8	-98.9	0	0	0	111.5	L330 Y336 V345 Y348 K349 A370 D371 Y376 E377 R378	L330-F374 HydrophobicContact CD1-CE2 4.08Å; Y336-F374 HydrophobicContact CD1-CD2 4.21Å; Y336-F374 AromaticContact CD1-CE2 3.8Å; Y336-F374 HydrophobicContact CD1-CE2 3.8Å; Y336-F374 HydrophobicContact CD1-CZ 4.37Å; Y336-F374 HydrophobicContact CE1-CD2 4.09Å; Y336-F374 HydrophobicContact CE1-CE2 4.05Å; V345-F374 HydrophobicContact CG1-CD2 4.49Å; V345-F374 HydrophobicContact CG1-CE1 4.18Å; V345-F374 HydrophobicContact CG1-CE2 3.74Å; V345-F374 HydrophobicContact CG1-CZ 3.55Å; V345-F374 HydrophobicContact CG2-CE2 4.38Å; V345-F374 HydrophobicContact CG2-CZ 4.35Å; Y348-F374 AromaticContact CD1-CD2 3.97Å; Y348-F374 HydrophobicContact CD1-CD2 3.97Å; Y348-F374 HydrophobicContact CE1-CD2 4.22Å; K349-F374 HydrophobicContact CG-CB 4.33Å; K349-F374 HydrophobicContact CG-CG 4.39Å; A370-F374 WeakPolarHBondContact O-CB 3.32Å; A370-F374 PolarHBondContact O-N 2.75Å; D371-F374 PolarHBondContact O-N 2.96Å; F374-Y376 VanDerWaalsContact C-N 3.33Å; F374-Y376 PolarHBondContact O-N 3.16Å; F374-E377 PolarHBondContact O-N 2.72Å; F374-R378 WeakPolarHBondContact O-CB 3.47Å; F374-R378 PolarHBondContact O-N 3.38Å
375	H	96.6	Very high	94.8	Very high	99 Å²	99	40.8 Å²	40.8	46%	0.458	20%	0.195	S	C	.	.	H	α-helix	trans	-68.1	-33.1	178.1	-75.9	-61	0	0	0	112.8	D371 I373 R379	D371-H375 WeakPolarHBondContact O-CB 3.34Å; D371-H375 PolarHBondContact O-CD2 3.21Å; D371-H375 PolarHBondContact O-N 3.44Å; I373-H375 VanDerWaalsContact C-N 3.31Å; I373-H375 PolarHBondContact O-N 3.19Å; H375-R379 WeakPolarHBondContact O-CB 3.11Å; H375-R379 PolarHBondContact O-N 3.35Å
376	Y	97.5	Very high	95.1	Very high	9 Å²	9	43.3 Å²	43.3	4%	0.035	21%	0.211	C	C	.	.	H	α-helix	trans	-70.5	-43.4	174.5	-174.2	-108.1	0	0	0	112.2	Y304 D372 I373 F374 R378 R379 I380 P454 I455 F458	Y304-Y376 HydrophobicContact CE1-CE1 4.16Å; Y304-Y376 WeakPolarHBondContact OH-CE1 3.43Å; Y304-Y376 PolarHBondContact OH-OH 3.33Å; D372-Y376 VanDerWaalsContact O-CB 3.28Å; D372-Y376 WeakPolarHBondContact O-CB 3.38Å; D372-Y376 PolarHBondContact O-N 3.16Å; I373-Y376 PolarHBondContact O-N 2.91Å; I373-Y376 VanDerWaalsContact O-N 3.16Å; F374-Y376 VanDerWaalsContact C-N 3.33Å; F374-Y376 PolarHBondContact O-N 3.16Å; Y376-R378 VanDerWaalsContact C-N 3.31Å; Y376-R378 PolarHBondContact O-N 2.99Å; Y376-R379 WeakPolarHBondContact O-CA 3.36Å; Y376-R379 WeakPolarHBondContact O-CB 3.37Å; Y376-R379 PolarHBondContact O-N 2.89Å; Y376-R379 VanDerWaalsContact O-N 3.09Å; Y376-I380 HydrophobicContact CD1-CD1 4.1Å; Y376-I380 HydrophobicContact CE1-CD1 3.88Å; Y376-I380 HydrophobicContact CE1-CG1 4.3Å; Y376-I380 WeakPolarHBondContact O-CG1 3.34Å; Y376-I380 PolarHBondContact O-N 3.11Å; Y376-P454 HydrophobicContact CD1-CB 4.34Å; Y376-P454 HydrophobicContact CD2-CB 3.53Å; Y376-P454 HydrophobicContact CD2-CG 4.23Å; Y376-P454 HydrophobicContact CE2-CB 3.95Å; Y376-P454 HydrophobicContact CE2-CG 4.32Å; Y376-P454 HydrophobicContact CG-CB 3.74Å; Y376-I455 WeakPolarHBondContact OH-CG1 3.16Å; Y376-F458 HydrophobicContact CD1-CB 3.68Å; Y376-F458 HydrophobicContact CD1-CD1 4.48Å; Y376-F458 HydrophobicContact CD1-CG 4.03Å; Y376-F458 HydrophobicContact CE1-CB 3.78Å; Y376-F458 HydrophobicContact CE1-CD1 4.04Å; Y376-F458 HydrophobicContact CE1-CG 4.02Å
377	E	97.8	Very high	95.1	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-59.7	-42.2	171.8	-73.2	-177.1	171.9	0	0	111.6	L328 G329 Y336 Y348 I373 F374 R379 I380 V381 F458	L328-E377 HydrophobicContact CD2-CB 4.49Å; G329-E377 PolarHBondContact N-OE1 3.18Å; Y336-E377 HydrophobicContact CD1-CB 4.22Å; Y336-E377 HydrophobicContact CE1-CB 3.46Å; Y336-E377 VanDerWaalsContact CE1-CB 3.46Å; Y336-E377 WeakPolarHBondContact CE1-OE2 3.36Å; Y336-E377 PolarHBondContact OH-OE2 2.84Å; Y348-E377 VanDerWaalsContact CE1-OE2 3.27Å; Y348-E377 WeakPolarHBondContact CE1-OE2 3.48Å; Y348-E377 PolarHBondContact OH-OE1 3.36Å; Y348-E377 PolarHBondContact OH-OE2 3.47Å; I373-E377 HydrophobicContact CG2-CG 4.3Å; I373-E377 PolarHBondContact O-N 2.9Å; F374-E377 PolarHBondContact O-N 2.72Å; E377-R379 VanDerWaalsContact C-N 3.29Å; E377-R379 PolarHBondContact O-N 3.49Å; E377-I380 WeakPolarHBondContact O-CB 3.37Å; E377-I380 PolarHBondContact O-N 3Å; E377-I380 VanDerWaalsContact O-N 3.12Å; E377-V381 WeakPolarHBondContact O-CG2 3.28Å; E377-V381 PolarHBondContact O-N 3.09Å; E377-F458 HydrophobicContact CG-CD2 3.66Å; E377-F458 HydrophobicContact CG-CE2 3.57Å; E377-F458 WeakPolarHBondContact OE1-CE2 3.15Å
378	R	97.1	Very high	95.1	Very high	65 Å²	65	43.9 Å²	43.9	25%	0.245	21%	0.214	C	C	.	.	H	α-helix	trans	-59.3	-40	172.5	-175.8	170.5	-170.4	-166.7	-3.5	112.3	Y336 N338 F374 Y376 V381 N382	Y336-R378 HydrophobicContact CD1-CB 4.09Å; Y336-R378 WeakPolarHBondContact O-CD 3.29Å; Y336-R378 WeakPolarHBondContact O-CG 3.43Å; Y336-R378 PolarHBondContact O-NE 3.26Å; N338-R378 PolarHBondContact OD1-NH2 3.1Å; F374-R378 WeakPolarHBondContact O-CB 3.47Å; F374-R378 PolarHBondContact O-N 3.38Å; Y376-R378 VanDerWaalsContact C-N 3.31Å; Y376-R378 PolarHBondContact O-N 2.99Å; R378-V381 PolarHBondContact O-N 2.91Å; R378-N382 VanDerWaalsContact O-CG 3.23Å; R378-N382 PolarHBondContact O-N 2.82Å; R378-N382 PolarHBondContact O-OD1 3.35Å
379	R	97.3	Very high	95	Very high	88 Å²	88	43.1 Å²	43.1	33%	0.332	22%	0.222	S	C	.	.	H	α-helix	trans	-64.5	-39.1	174.9	-170.7	-174.3	168.7	-178.5	-5.7	111.6	H375 Y376 E377 N382 H383 L446 T449 S450	H375-R379 WeakPolarHBondContact O-CB 3.11Å; H375-R379 PolarHBondContact O-N 3.35Å; Y376-R379 WeakPolarHBondContact O-CA 3.36Å; Y376-R379 WeakPolarHBondContact O-CB 3.37Å; Y376-R379 PolarHBondContact O-N 2.89Å; Y376-R379 VanDerWaalsContact O-N 3.09Å; E377-R379 VanDerWaalsContact C-N 3.29Å; E377-R379 PolarHBondContact O-N 3.49Å; R379-N382 PolarHBondContact O-N 3.27Å; R379-H383 PolarHBondContact O-N 2.84Å; R379-H383 VanDerWaalsContact O-N 3.13Å; R379-H383 PolarHBondContact O-ND1 3.1Å; R379-L446 HydrophobicContact CB-CD1 4.35Å; R379-L446 HydrophobicContact CG-CD1 3.62Å; R379-T449 PolarHBondContact NH2-O 3.02Å; R379-T449 VanDerWaalsContact NH2-O 3.12Å; R379-T449 PolarHBondContact NH2-OG1 3.44Å; R379-S450 PolarHBondContact NH1-OG 3.24Å
380	I	97.6	Very high	94.8	Very high	3 Å²	3	47 Å²	47	2%	0.015	24%	0.243	C	C	.	.	H	α-helix	trans	-57.3	-53.5	172.5	-64.7	167	0	0	0	109.5	Y304 L328 Y376 E377 N382 H383 I384 L443 L446 F458	Y304-I380 HydrophobicContact CD1-CD1 4.16Å; Y304-I380 HydrophobicContact CD1-CG1 4.48Å; Y304-I380 HydrophobicContact CE1-CD1 3.72Å; Y304-I380 HydrophobicContact CE1-CG1 4.16Å; L328-I380 HydrophobicContact CD2-CB 4.39Å; L328-I380 HydrophobicContact CD2-CD1 4.47Å; L328-I380 HydrophobicContact CD2-CG2 4.11Å; Y376-I380 HydrophobicContact CD1-CD1 4.1Å; Y376-I380 HydrophobicContact CE1-CD1 3.88Å; Y376-I380 HydrophobicContact CE1-CG1 4.3Å; Y376-I380 WeakPolarHBondContact O-CG1 3.34Å; Y376-I380 PolarHBondContact O-N 3.11Å; E377-I380 WeakPolarHBondContact O-CB 3.37Å; E377-I380 PolarHBondContact O-N 3Å; E377-I380 VanDerWaalsContact O-N 3.12Å; I380-N382 PolarHBondContact O-N 3Å; I380-H383 PolarHBondContact O-N 3.43Å; I380-I384 HydrophobicContact CG2-CD1 3.83Å; I380-I384 HydrophobicContact CG2-CG1 4.46Å; I380-I384 WeakPolarHBondContact O-CG1 3.39Å; I380-I384 PolarHBondContact O-N 3.07Å; I380-I384 VanDerWaalsContact O-N 3.09Å; I380-L443 HydrophobicContact CG2-CD2 3.9Å; I380-L446 HydrophobicContact CB-CD2 4.28Å; I380-L446 HydrophobicContact CG1-CD2 3.49Å; I380-L446 VanDerWaalsContact CG1-CD2 3.49Å; I380-F458 HydrophobicContact CD1-CD1 3.98Å; I380-F458 HydrophobicContact CD1-CD2 4.43Å; I380-F458 HydrophobicContact CD1-CE1 3.58Å; I380-F458 HydrophobicContact CD1-CE2 4.12Å; I380-F458 HydrophobicContact CD1-CG 4.38Å; I380-F458 HydrophobicContact CD1-CZ 3.67Å
381	V	96.8	Very high	93.8	Very high	6 Å²	6	51.1 Å²	51.1	4%	0.036	28%	0.277	C	S	.	.	H	α-helix	trans	-56.3	-48.6	-179.9	172.5	0	0	0	0	111.3	L328 K333 Y336 E377 R378 H383 I384 E385	L328-V381 HydrophobicContact CD1-CG2 3.45Å; L328-V381 VanDerWaalsContact CD1-CG2 3.45Å; L328-V381 HydrophobicContact CD2-CG2 4.38Å; K333-V381 HydrophobicContact CB-CG1 3.91Å; K333-V381 HydrophobicContact CB-CG2 4.44Å; K333-V381 HydrophobicContact CD-CG1 4.23Å; K333-V381 HydrophobicContact CG-CG1 4.16Å; K333-V381 HydrophobicContact CG-CG2 4.1Å; Y336-V381 HydrophobicContact CD2-CG2 3.7Å; Y336-V381 HydrophobicContact CE2-CG2 4.2Å; Y336-V381 HydrophobicContact CG-CG2 3.95Å; E377-V381 WeakPolarHBondContact O-CG2 3.28Å; E377-V381 PolarHBondContact O-N 3.09Å; R378-V381 PolarHBondContact O-N 2.91Å; V381-H383 VanDerWaalsContact C-N 3.32Å; V381-H383 PolarHBondContact O-N 3.18Å; V381-I384 WeakPolarHBondContact O-CB 3.33Å; V381-I384 PolarHBondContact O-N 3.38Å; V381-I384 VanDerWaalsContact O-N 3.08Å; V381-E385 HydrophobicContact CG1-CG 4.1Å; V381-E385 WeakPolarHBondContact O-CG 3.34Å; V381-E385 PolarHBondContact O-N 3.32Å
382	N	96	Very high	93	Very high	73 Å²	73	55.4 Å²	55.4	39%	0.39	30%	0.3	S	S	.	.	H	α-helix	trans	-58.1	-42.9	179.2	-68.4	-6.6	0	0	0	112.3	R378 R379 I380 I384 E385 D386	R378-N382 VanDerWaalsContact O-CG 3.23Å; R378-N382 PolarHBondContact O-N 2.82Å; R378-N382 PolarHBondContact O-OD1 3.35Å; R379-N382 PolarHBondContact O-N 3.27Å; I380-N382 PolarHBondContact O-N 3Å; N382-I384 VanDerWaalsContact C-N 3.31Å; N382-I384 PolarHBondContact O-N 3.33Å; N382-E385 PolarHBondContact O-N 2.82Å; N382-D386 VanDerWaalsContact O-CB 3.26Å; N382-D386 WeakPolarHBondContact O-CB 3.44Å; N382-D386 PolarHBondContact O-N 3.38Å
383	H	95.9	Very high	92.5	Very high	45 Å²	45	55 Å²	55	21%	0.208	29%	0.294	C	S	.	.	H	α-helix	trans	-65	-35.9	177.6	-75.4	61.8	0	0	0	112.3	R379 I380 V381 A387 A442	R379-H383 PolarHBondContact O-N 2.84Å; R379-H383 VanDerWaalsContact O-N 3.13Å; R379-H383 PolarHBondContact O-ND1 3.1Å; I380-H383 PolarHBondContact O-N 3.43Å; V381-H383 VanDerWaalsContact C-N 3.32Å; V381-H383 PolarHBondContact O-N 3.18Å; H383-A387 WeakPolarHBondContact O-CB 3.36Å; H383-A387 PolarHBondContact O-N 3.31Å; H383-A387 VanDerWaalsContact O-N 3.16Å; H383-A442 HydrophobicContact CB-CB 4.39Å; H383-A442 WeakPolarHBondContact O-CB 3.28Å
384	I	94.9	Very high	91.8	Very high	5 Å²	5	57.6 Å²	57.6	3%	0.026	31%	0.311	C	S	.	.	H	α-helix	trans	-66.9	-50.2	176	-63.5	170.3	0	0	0	109.8	I380 V381 N382 D386 A387 K388 V439 L443	I380-I384 HydrophobicContact CG2-CD1 3.83Å; I380-I384 HydrophobicContact CG2-CG1 4.46Å; I380-I384 WeakPolarHBondContact O-CG1 3.39Å; I380-I384 PolarHBondContact O-N 3.07Å; I380-I384 VanDerWaalsContact O-N 3.09Å; V381-I384 WeakPolarHBondContact O-CB 3.33Å; V381-I384 PolarHBondContact O-N 3.38Å; V381-I384 VanDerWaalsContact O-N 3.08Å; N382-I384 VanDerWaalsContact C-N 3.31Å; N382-I384 PolarHBondContact O-N 3.33Å; I384-D386 PolarHBondContact O-N 3.12Å; I384-A387 WeakPolarHBondContact O-CB 3.16Å; I384-A387 PolarHBondContact O-N 2.92Å; I384-K388 HydrophobicContact CG2-CD 4.18Å; I384-K388 WeakPolarHBondContact O-CG 3.33Å; I384-K388 PolarHBondContact O-N 2.77Å; I384-V439 HydrophobicContact CG1-CG1 4.04Å; I384-V439 HydrophobicContact CG2-CG1 4.05Å; I384-V439 HydrophobicContact CG2-CG2 3.97Å; I384-L443 HydrophobicContact CD1-CD2 4.26Å; I384-L443 HydrophobicContact CG1-CD2 4.08Å; I384-L443 HydrophobicContact CG1-CG 4.49Å
385	E	92.9	Very high	91.1	Very high	84 Å²	84	60.4 Å²	60.4	39%	0.393	33%	0.326	S	S	.	.	H	α-helix	trans	-66.8	-36.5	-178	-62.9	-49.5	124.7	0	0	112.2	K333 V381 N382 A387 K388 A389	K333-E385 WeakPolarHBondContact CD-OE1 3.2Å; K333-E385 IonicContact NZ-OE1 3.08Å; K333-E385 PolarHBondContact NZ-OE1 3.34Å; V381-E385 HydrophobicContact CG1-CG 4.1Å; V381-E385 WeakPolarHBondContact O-CG 3.34Å; V381-E385 PolarHBondContact O-N 3.32Å; N382-E385 PolarHBondContact O-N 2.82Å; E385-A387 VanDerWaalsContact C-N 3.33Å; E385-A387 PolarHBondContact O-N 2.79Å; E385-K388 CarbonylContact O-C 3.53Å; E385-K388 WeakPolarHBondContact O-CA 3.2Å; E385-K388 PolarHBondContact O-N 3.11Å; E385-K388 VanDerWaalsContact O-N 3.07Å; E385-A389 PolarHBondContact O-N 3.3Å
386	D	93.6	Very high	90.5	Very high	120 Å²	120	58.5 Å²	58.5	64%	0.642	32%	0.319	S	S	*	.	H	α-helix	trans	-60.9	-41.6	172.5	-71.9	-19.5	0	0	0	111.4	N382 I384 K388 A389	N382-D386 VanDerWaalsContact O-CB 3.26Å; N382-D386 WeakPolarHBondContact O-CB 3.44Å; N382-D386 PolarHBondContact O-N 3.38Å; I384-D386 PolarHBondContact O-N 3.12Å; D386-K388 VanDerWaalsContact C-N 3.25Å; D386-K388 PolarHBondContact O-N 3Å; D386-A389 WeakPolarHBondContact O-CB 3.48Å; D386-A389 PolarHBondContact O-N 3.05Å
387	A	93.1	Very high	90	Very high	21 Å²	21	63 Å²	63	17%	0.174	34%	0.339	C	S	.	.	H	α-helix	trans	-66.6	-29.4	174.9	0	0	0	0	0	112.4	H383 I384 E385 R393 E438 V439 A442	H383-A387 WeakPolarHBondContact O-CB 3.36Å; H383-A387 PolarHBondContact O-N 3.31Å; H383-A387 VanDerWaalsContact O-N 3.16Å; I384-A387 WeakPolarHBondContact O-CB 3.16Å; I384-A387 PolarHBondContact O-N 2.92Å; E385-A387 VanDerWaalsContact C-N 3.33Å; E385-A387 PolarHBondContact O-N 2.79Å; A387-R393 WeakPolarHBondContact O-CD 3.46Å; A387-E438 HydrophobicContact CB-CB 4.44Å; A387-V439 HydrophobicContact CB-CG2 4.2Å; A387-A442 HydrophobicContact CB-CB 3.82Å
388	K	91.6	Very high	89.5	Confident	59 Å²	59	66.6 Å²	66.6	26%	0.257	36%	0.358	S	S	.	.	H	α-helix	trans	-84.3	-7.3	177.9	-68.2	-173.6	177	-170.8	0	114.5	E325 I384 E385 D386 D390 R393 V439	E325-K388 WeakPolarHBondContact OE1-CE 3.36Å; E325-K388 IonicContact OE1-NZ 2.9Å; E325-K388 PolarHBondContact OE1-NZ 3.25Å; E325-K388 IonicContact OE2-NZ 3.82Å; I384-K388 HydrophobicContact CG2-CD 4.18Å; I384-K388 WeakPolarHBondContact O-CG 3.33Å; I384-K388 PolarHBondContact O-N 2.77Å; E385-K388 CarbonylContact O-C 3.53Å; E385-K388 WeakPolarHBondContact O-CA 3.2Å; E385-K388 PolarHBondContact O-N 3.11Å; E385-K388 VanDerWaalsContact O-N 3.07Å; D386-K388 VanDerWaalsContact C-N 3.25Å; D386-K388 PolarHBondContact O-N 3Å; K388-D390 PolarHBondContact O-N 2.82Å; K388-R393 VanDerWaalsContact CA-CZ 3.49Å; K388-R393 PolarHBondContact O-NH1 3.28Å; K388-V439 HydrophobicContact CG-CG2 4.02Å
389	A	89.9	Confident	89.2	Confident	84 Å²	84	64.4 Å²	64.4	69%	0.694	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.8	-29.5	179.2	0	0	0	0	0	112.6	E385 D386 A391	E385-A389 PolarHBondContact O-N 3.3Å; D386-A389 WeakPolarHBondContact O-CB 3.48Å; D386-A389 PolarHBondContact O-N 3.05Å; A389-A391 PolarHBondContact O-N 3.29Å
390	D	84.9	Confident	89.1	Confident	90 Å²	90	65.6 Å²	65.6	48%	0.481	36%	0.355	S	S	.	.			trans	-79.5	111.4	172.9	-174.1	2.5	0	0	0	111	K388 N392 R393	K388-D390 PolarHBondContact O-N 2.82Å; D390-N392 VanDerWaalsContact C-N 3.27Å; D390-N392 PolarHBondContact O-N 2.84Å; D390-N392 PolarHBondContact OD1-N 3.31Å; D390-R393 WeakPolarHBondContact O-CD 3.38Å; D390-R393 WeakPolarHBondContact O-CG 3.28Å; D390-R393 PolarHBondContact O-NH1 3.22Å
391	A	74.9	Confident	89.1	Confident	89 Å²	89	65.6 Å²	65.6	74%	0.736	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.6	-18.6	178.6	0	0	0	0	0	113.8	A389	A389-A391 PolarHBondContact O-N 3.29Å
392	N	77.4	Confident	89.1	Confident	150 Å²	150	66.7 Å²	66.7	80%	0.802	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.4	5.7	-178.3	-65.9	-36.1	0	0	0	113.3	D390	D390-N392 VanDerWaalsContact C-N 3.27Å; D390-N392 PolarHBondContact O-N 2.84Å; D390-N392 PolarHBondContact OD1-N 3.31Å
393	R	83.9	Confident	89.2	Confident	52 Å²	52	67.1 Å²	67.1	20%	0.196	37%	0.367	C	S	.	.	S	Bend	trans	-65	148.6	-178.7	74.4	-173.2	-178.5	-79.3	-0.9	111.7	A387 K388 D390 I395 D436 E438	A387-R393 WeakPolarHBondContact O-CD 3.46Å; K388-R393 VanDerWaalsContact CA-CZ 3.49Å; K388-R393 PolarHBondContact O-NH1 3.28Å; D390-R393 WeakPolarHBondContact O-CD 3.38Å; D390-R393 WeakPolarHBondContact O-CG 3.28Å; D390-R393 PolarHBondContact O-NH1 3.22Å; R393-I395 HydrophobicContact CG-CG2 4.38Å; R393-I395 PolarHBondContact O-N 3.03Å; R393-D436 IonicContact CZ-OD2 3.48Å; R393-D436 IonicContact NE-OD2 3.37Å; R393-D436 PolarHBondContact NE-OD2 3.5Å; R393-D436 IonicContact NH2-OD2 2.75Å; R393-E438 HydrophobicContact CB-CG 4.23Å
394	P	80.3	Confident	89.2	Confident	57 Å²	57	65.1 Å²	65.1	37%	0.37	36%	0.358	S	S	.	.			trans	-68.9	130.7	176.1	28.8	-33.7	0	0	0	110.5	K397 P437	P394-K397 HydrophobicContact CB-CD 4.41Å; P394-P437 WeakPolarHBondContact O-CD 3.45Å
395	I	84.1	Confident	89.3	Confident	69 Å²	69	69.8 Å²	69.8	35%	0.354	38%	0.378	S	S	.	.			trans	-119.4	158.4	172.4	59.6	171.3	0	0	0	110.1	R393 K397 R435 E717	R393-I395 HydrophobicContact CG-CG2 4.38Å; R393-I395 PolarHBondContact O-N 3.03Å; I395-K397 VanDerWaalsContact C-N 3.33Å; I395-K397 PolarHBondContact O-N 2.76Å; I395-R435 CarbonylContact C-O 3.56Å; I395-R435 WeakPolarHBondContact CA-O 3.2Å; I395-E717 HydrophobicContact CD1-CG 4.43Å
396	N	84	Confident	89.5	Confident	59 Å²	59	72.3 Å²	72.3	32%	0.316	39%	0.393	S	S	.	.	S	Bend	trans	49.4	49.4	178	-63.2	-50.5	0	0	0	113.2	L433 V434 R435	N396-L433 HydrophobicContact CB-CD1 4.39Å; N396-L433 WeakPolarHBondContact O-CD1 3.4Å; N396-V434 CarbonylContact C-O 3.48Å; N396-V434 WeakPolarHBondContact CA-O 3.47Å; N396-V434 PolarHBondContact N-O 3.13Å; N396-R435 PolarHBondContact N-O 3.28Å; N396-R435 WeakPolarHBondContact OD1-CD 3.47Å; N396-R435 PolarHBondContact OD1-NH1 2.96Å
397	K	85.3	Confident	89.7	Confident	103 Å²	103	69.4 Å²	69.4	45%	0.448	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	129.1	-174	-172.3	177.1	179	178.6	0	111.5	P394 I395 M399 V434 P437	P394-K397 HydrophobicContact CB-CD 4.41Å; I395-K397 VanDerWaalsContact C-N 3.33Å; I395-K397 PolarHBondContact O-N 2.76Å; K397-M399 HydrophobicContact CB-CG 4.39Å; K397-M399 HydrophobicContact CD-CG 4.01Å; K397-M399 HydrophobicContact CD-SD 4.17Å; K397-M399 HydrophobicContact CG-CG 3.89Å; K397-V434 PolarHBondContact N-O 3.02Å; K397-V434 PolarHBondContact O-N 2.97Å; K397-P437 HydrophobicContact CB-CG 3.97Å; K397-P437 HydrophobicContact CD-CG 4.33Å
398	L	87.4	Confident	89.9	Confident	76 Å²	76	68.4 Å²	68.4	40%	0.398	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	125	168	-165.1	70.8	0	0	0	109.6	V320 E431 V432	V320-L398 HydrophobicContact CG2-CD1 4.07Å; L398-E431 HydrophobicContact CD1-CB 4.05Å; L398-E431 HydrophobicContact CD2-CB 4.2Å; L398-E431 WeakPolarHBondContact CD2-OE2 3.38Å; L398-E431 HydrophobicContact CG-CB 3.98Å; L398-V432 WeakPolarHBondContact CA-O 3.33Å
399	M	91.2	Very high	90.2	Very high	19 Å²	19	69 Å²	69	9%	0.094	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	143.6	-176.9	-65	-174.5	61.8	0	0	111.1	K397 D403 L404 E431 V432 V434 P437	K397-M399 HydrophobicContact CB-CG 4.39Å; K397-M399 HydrophobicContact CD-CG 4.01Å; K397-M399 HydrophobicContact CD-SD 4.17Å; K397-M399 HydrophobicContact CG-CG 3.89Å; M399-D403 HydrophobicContact CE-CB 4.21Å; M399-L404 HydrophobicContact CE-CD1 4.42Å; M399-E431 WeakPolarHBondContact O-CA 3.11Å; M399-V432 PolarHBondContact N-O 2.85Å; M399-V432 PolarHBondContact O-N 3.4Å; M399-V434 HydrophobicContact CB-CG2 4.14Å; M399-V434 HydrophobicContact CG-CG2 4.26Å; M399-V434 HydrophobicContact SD-CB 4.35Å; M399-V434 HydrophobicContact SD-CG2 4.11Å; M399-P437 HydrophobicContact SD-CB 3.83Å; M399-P437 HydrophobicContact SD-CG 3.76Å
400	R	95.7	Very high	90.5	Very high	113 Å²	113	65.6 Å²	65.6	43%	0.426	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	146.8	169	-66.6	-178.6	-179.2	-157.4	2.9	110.3	A402 D403 L404 D429 T430 E431	R400-A402 PolarHBondContact O-N 3.41Å; R400-D403 PolarHBondContact O-N 3.2Å; R400-D403 VanDerWaalsContact O-N 3.09Å; R400-L404 PolarHBondContact O-N 2.92Å; R400-D429 IonicContact NH1-OD1 2.68Å; R400-T430 WeakPolarHBondContact CA-O 3.39Å; R400-E431 HydrophobicContact CG-CG 3.88Å; R400-E431 IonicContact NE-OE1 3.93Å
401	L	97.5	Very high	91.1	Very high	4 Å²	4	61.8 Å²	61.8	2%	0.021	33%	0.327	C	S	.	.	H	α-helix	trans	-60.5	-30.2	175.6	-70.9	179.2	0	0	0	112.6	L404 K405 I413 L414 L417 I426 E428 T430 V432	L401-L404 HydrophobicContact CD2-CD2 4.36Å; L401-L404 PolarHBondContact O-N 2.95Å; L401-K405 WeakPolarHBondContact O-CB 3.26Å; L401-K405 PolarHBondContact O-N 2.66Å; L401-I413 HydrophobicContact CD2-CG2 3.98Å; L401-L414 HydrophobicContact CB-CD1 4.45Å; L401-L414 HydrophobicContact CD1-CD1 3.64Å; L401-L417 HydrophobicContact CD1-CD1 3.81Å; L401-L417 HydrophobicContact CD2-CD1 3.71Å; L401-L417 HydrophobicContact CG-CD1 4.4Å; L401-I426 HydrophobicContact CD1-CG2 3.54Å; L401-E428 PolarHBondContact N-O 2.87Å; L401-T430 HydrophobicContact CD1-CG2 4.42Å; L401-T430 WeakPolarHBondContact CG-O 3.36Å; L401-T430 PolarHBondContact N-O 2.77Å; L401-V432 HydrophobicContact CD2-CG1 3.85Å; L401-V432 HydrophobicContact CD2-CG2 3.82Å; L401-V432 HydrophobicContact CG-CG1 4.14Å
402	A	97.5	Very high	92.2	Very high	28 Å²	28	57.8 Å²	57.8	23%	0.231	29%	0.293	C	S	.	.	H	α-helix	trans	-56.9	-49.3	171.2	0	0	0	0	0	112.5	R400 K405 I406 E428	R400-A402 PolarHBondContact O-N 3.41Å; A402-K405 WeakPolarHBondContact O-CB 3.18Å; A402-K405 PolarHBondContact O-N 3.41Å; A402-I406 PolarHBondContact O-N 2.92Å; A402-E428 HydrophobicContact CB-CB 4.08Å; A402-E428 WeakPolarHBondContact CB-O 3.49Å; A402-E428 PolarHBondContact N-O 3.48Å
403	D	97.3	Very high	93.2	Very high	83 Å²	83	51 Å²	51	44%	0.444	26%	0.257	S	S	.	.	H	α-helix	trans	-68.8	-38.8	-178.8	-60.2	-37.1	0	0	0	111	M399 R400 K405 I406 K407	M399-D403 HydrophobicContact CE-CB 4.21Å; R400-D403 PolarHBondContact O-N 3.2Å; R400-D403 VanDerWaalsContact O-N 3.09Å; D403-K405 VanDerWaalsContact C-N 3.33Å; D403-K405 PolarHBondContact O-N 2.82Å; D403-I406 WeakPolarHBondContact O-CB 3.5Å; D403-I406 PolarHBondContact O-N 3.44Å; D403-K407 PolarHBondContact O-N 3.35Å
404	L	96.4	Very high	93.8	Very high	2 Å²	2	49.5 Å²	49.5	1%	0.01	25%	0.253	C	S	.	.	H	α-helix	trans	-67.4	-35.8	178.8	-169.2	59.6	0	0	0	112	L323 M399 R400 L401 I406 K407 A408 I413 V432 V434 M440	L323-L404 HydrophobicContact CD1-CD2 3.38Å; M399-L404 HydrophobicContact CE-CD1 4.42Å; R400-L404 PolarHBondContact O-N 2.92Å; L401-L404 HydrophobicContact CD2-CD2 4.36Å; L401-L404 PolarHBondContact O-N 2.95Å; L404-I406 PolarHBondContact O-N 2.77Å; L404-K407 PolarHBondContact O-N 3.31Å; L404-A408 PolarHBondContact O-N 2.63Å; L404-I413 HydrophobicContact CD1-CD1 4.46Å; L404-I413 HydrophobicContact CD2-CD1 3.58Å; L404-I413 HydrophobicContact CD2-CG2 4.04Å; L404-I413 HydrophobicContact CG-CD1 3.85Å; L404-V432 HydrophobicContact CD2-CG2 4.19Å; L404-V434 HydrophobicContact CD1-CG2 4.35Å; L404-V434 HydrophobicContact CD2-CG2 4.12Å; L404-M440 HydrophobicContact CD1-CB 4.42Å
405	K	96.8	Very high	94.7	Very high	104 Å²	104	51 Å²	51	45%	0.452	26%	0.255	S	S	.	.	H	α-helix	trans	-60.6	-34.4	172.5	-171.9	-176	-171.7	-177.5	0	112.1	L401 A402 D403 P409 E428	L401-K405 WeakPolarHBondContact O-CB 3.26Å; L401-K405 PolarHBondContact O-N 2.66Å; A402-K405 WeakPolarHBondContact O-CB 3.18Å; A402-K405 PolarHBondContact O-N 3.41Å; D403-K405 VanDerWaalsContact C-N 3.33Å; D403-K405 PolarHBondContact O-N 2.82Å; K405-P409 VanDerWaalsContact O-CA 3.26Å; K405-P409 WeakPolarHBondContact O-CA 3.47Å; K405-P409 WeakPolarHBondContact O-CB 3.34Å; K405-E428 IonicContact NZ-OE1 3.6Å; K405-E428 PolarHBondContact NZ-OE1 2.84Å
406	I	97.7	Very high	95.3	Very high	136 Å²	136	47.7 Å²	47.7	70%	0.697	24%	0.238	S	C	*	.	H	α-helix	trans	-74.2	-43.8	175.2	-63.1	167	0	0	0	110.8	A402 D403 L404	A402-I406 PolarHBondContact O-N 2.92Å; D403-I406 WeakPolarHBondContact O-CB 3.5Å; D403-I406 PolarHBondContact O-N 3.44Å; L404-I406 PolarHBondContact O-N 2.77Å
407	K	96.9	Very high	96	Very high	59 Å²	59	44.9 Å²	44.9	26%	0.257	22%	0.223	S	C	.	.	H	α-helix	trans	-70.3	-37.9	-177.5	-176.3	64.3	162.4	173.8	0	112.6	D403 L404 E438 H441	D403-K407 PolarHBondContact O-N 3.35Å; L404-K407 PolarHBondContact O-N 3.31Å; K407-E438 WeakPolarHBondContact CE-OE1 3.34Å; K407-E438 IonicContact NZ-OE1 2.74Å; K407-E438 PolarHBondContact NZ-OE1 3.16Å; K407-E438 IonicContact NZ-OE2 2.79Å; K407-E438 PolarHBondContact NZ-OE2 2.89Å; K407-H441 HydrophobicContact CD-CB 4.02Å; K407-H441 HydrophobicContact CG-CB 4.17Å; K407-H441 PolarHBondContact O-ND1 2.87Å
408	A	97.5	Very high	96.6	Very high	1 Å²	1	44.1 Å²	44.1	1%	0.008	22%	0.221	C	C	.	.			trans	-131.8	60.7	-174.7	0	0	0	0	0	112.7	L404 S410 L411 M440 S444	L404-A408 PolarHBondContact O-N 2.63Å; A408-S410 PolarHBondContact O-N 3.44Å; A408-S410 VanDerWaalsContact O-N 3.11Å; A408-L411 HydrophobicContact CB-CB 4.5Å; A408-L411 HydrophobicContact CB-CD1 3.98Å; A408-L411 HydrophobicContact CB-CG 4.3Å; A408-L411 PolarHBondContact O-N 2.88Å; A408-M440 HydrophobicContact CB-CB 4.31Å; A408-M440 WeakPolarHBondContact CB-O 3.32Å; A408-S444 VanDerWaalsContact C-OG 3.29Å; A408-S444 WeakPolarHBondContact CA-OG 3.36Å
409	P	97.3	Very high	97.1	Very high	71 Å²	71	42.1 Å²	42.1	46%	0.461	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-16.4	-170.3	27.7	-36.9	0	0	0	114.9	K289 K405 S444	K289-P409 PolarHBondContact NZ-O 3.14Å; K405-P409 VanDerWaalsContact O-CA 3.26Å; K405-P409 WeakPolarHBondContact O-CA 3.47Å; K405-P409 WeakPolarHBondContact O-CB 3.34Å; P409-S444 WeakPolarHBondContact CD-OG 3.19Å
410	S	97.5	Very high	97.4	Very high	13 Å²	13	41.2 Å²	41.2	9%	0.091	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.4	-20	175.3	-57	0	0	0	0	112.3	Y288 K289 A408 S444	Y288-S410 VanDerWaalsContact CE2-O 3.31Å; Y288-S410 WeakPolarHBondContact CE2-O 3.36Å; Y288-S410 WeakPolarHBondContact OH-CB 3.09Å; Y288-S410 PolarHBondContact OH-O 3.16Å; K289-S410 WeakPolarHBondContact CE-O 3.49Å; A408-S410 PolarHBondContact O-N 3.44Å; A408-S410 VanDerWaalsContact O-N 3.11Å; S410-S444 VanDerWaalsContact CB-O 3.24Å; S410-S444 WeakPolarHBondContact CB-O 3.39Å; S410-S444 VanDerWaalsContact CB-OG 3.3Å; S410-S444 WeakPolarHBondContact CB-OG 3.34Å; S410-S444 PolarHBondContact N-OG 3.44Å; S410-S444 PolarHBondContact OG-O 2.79Å; S410-S444 PolarHBondContact OG-OG 3.34Å
411	L	97.6	Very high	97.4	Very high	9 Å²	9	35.9 Å²	35.9	5%	0.047	19%	0.19	C	C	.	.	S	Bend	trans	-90.2	122.1	-179.5	-57.4	179.9	0	0	0	110.2	Y305 A408 I413 M440 L443 L447	Y305-L411 HydrophobicContact CD1-CB 4.45Å; Y305-L411 HydrophobicContact CD1-CD1 4.24Å; Y305-L411 HydrophobicContact CD1-CD2 3.88Å; Y305-L411 HydrophobicContact CD1-CG 4.43Å; Y305-L411 HydrophobicContact CE1-CB 4.12Å; Y305-L411 HydrophobicContact CE1-CD2 3.97Å; A408-L411 HydrophobicContact CB-CB 4.5Å; A408-L411 HydrophobicContact CB-CD1 3.98Å; A408-L411 HydrophobicContact CB-CG 4.3Å; A408-L411 PolarHBondContact O-N 2.88Å; L411-I413 HydrophobicContact CB-CD1 3.84Å; L411-I413 HydrophobicContact CB-CG1 3.7Å; L411-I413 HydrophobicContact CD1-CD1 4.1Å; L411-I413 PolarHBondContact O-N 3.07Å; L411-M440 HydrophobicContact CD1-CB 4.44Å; L411-M440 HydrophobicContact CD1-SD 4.18Å; L411-L443 HydrophobicContact CD1-CB 4.41Å; L411-L447 HydrophobicContact CD2-CD1 3.37Å
412	P	97.3	Very high	97.3	Very high	6 Å²	6	39.8 Å²	39.8	4%	0.039	22%	0.216	C	C	.	.			trans	-80.6	53.4	-179.5	36.5	-37.7	0	0	0	111.5	K289 L292 V293 Y305 E415 S416	K289-P412 HydrophobicContact CB-CB 4.13Å; K289-P412 HydrophobicContact CB-CG 4.25Å; K289-P412 HydrophobicContact CG-CB 4.46Å; L292-P412 HydrophobicContact CB-CG 4.05Å; L292-P412 HydrophobicContact CD1-CG 4.22Å; V293-P412 HydrophobicContact CG2-CB 3.94Å; V293-P412 HydrophobicContact CG2-CG 4.04Å; Y305-P412 WeakPolarHBondContact OH-CD 3.31Å; Y305-P412 WeakPolarHBondContact OH-CG 3.2Å; Y305-P412 PolarHBondContact OH-O 3.04Å; P412-E415 VanDerWaalsContact C-OE2 3.28Å; P412-E415 WeakPolarHBondContact CA-OE2 3.45Å; P412-E415 HydrophobicContact CB-CB 4.43Å; P412-E415 PolarHBondContact O-N 2.94Å; P412-S416 VanDerWaalsContact O-CB 3.29Å; P412-S416 WeakPolarHBondContact O-CB 3.3Å; P412-S416 PolarHBondContact O-N 3.1Å; P412-S416 PolarHBondContact O-OG 2.8Å; P412-S416 VanDerWaalsContact O-OG 3.11Å
413	I	97.9	Very high	97.1	Very high	7 Å²	7	45.5 Å²	45.5	4%	0.036	24%	0.236	C	C	.	.	H	α-helix	trans	-64.9	-47.4	-169.3	-63.4	172.2	0	0	0	110.8	Y305 L323 L401 L404 L411 E415 S416 L417	Y305-I413 HydrophobicContact CD2-CG1 4.32Å; Y305-I413 HydrophobicContact CE1-CG1 4.47Å; Y305-I413 HydrophobicContact CE2-CG1 3.96Å; L323-I413 HydrophobicContact CD1-CD1 4.28Å; L323-I413 HydrophobicContact CD1-CG2 3.61Å; L323-I413 HydrophobicContact CD2-CG2 4.26Å; L401-I413 HydrophobicContact CD2-CG2 3.98Å; L404-I413 HydrophobicContact CD1-CD1 4.46Å; L404-I413 HydrophobicContact CD2-CD1 3.58Å; L404-I413 HydrophobicContact CD2-CG2 4.04Å; L404-I413 HydrophobicContact CG-CD1 3.85Å; L411-I413 HydrophobicContact CB-CD1 3.84Å; L411-I413 HydrophobicContact CB-CG1 3.7Å; L411-I413 HydrophobicContact CD1-CD1 4.1Å; L411-I413 PolarHBondContact O-N 3.07Å; I413-E415 PolarHBondContact O-N 2.88Å; I413-S416 WeakPolarHBondContact O-CB 3.29Å; I413-S416 PolarHBondContact O-N 3.35Å; I413-L417 HydrophobicContact CG2-CD1 4.03Å; I413-L417 HydrophobicContact CG2-CG 4.27Å; I413-L417 WeakPolarHBondContact O-CB 3.06Å; I413-L417 VanDerWaalsContact O-CG 3.23Å; I413-L417 WeakPolarHBondContact O-CG 3.28Å; I413-L417 PolarHBondContact O-N 2.78Å
414	L	97.8	Very high	97	Very high	20 Å²	20	43.8 Å²	43.8	11%	0.105	23%	0.229	C	C	.	.	H	α-helix	trans	-58.8	-48.3	179.1	175.4	63.1	0	0	0	111.3	L401 S416 L417 Q418 I426 E428	L401-L414 HydrophobicContact CB-CD1 4.45Å; L401-L414 HydrophobicContact CD1-CD1 3.64Å; L414-S416 VanDerWaalsContact C-N 3.35Å; L414-S416 PolarHBondContact O-N 2.76Å; L414-L417 PolarHBondContact O-N 3.36Å; L414-Q418 HydrophobicContact CD1-CG 4.41Å; L414-Q418 WeakPolarHBondContact O-CG 3.18Å; L414-Q418 PolarHBondContact O-N 2.79Å; L414-I426 HydrophobicContact CD1-CG2 3.91Å; L414-E428 HydrophobicContact CD2-CG 3.87Å
415	E	97.9	Very high	96.9	Very high	88 Å²	88	52.5 Å²	52.5	41%	0.411	27%	0.266	S	S	.	.	H	α-helix	trans	-65.3	-39.4	-179.8	-61.5	83.6	173.8	0	0	111.6	V293 P412 I413 Q418 A419	V293-E415 HydrophobicContact CG2-CB 3.74Å; P412-E415 VanDerWaalsContact C-OE2 3.28Å; P412-E415 WeakPolarHBondContact CA-OE2 3.45Å; P412-E415 HydrophobicContact CB-CB 4.43Å; P412-E415 PolarHBondContact O-N 2.94Å; I413-E415 PolarHBondContact O-N 2.88Å; E415-Q418 PolarHBondContact O-N 3.48Å; E415-A419 WeakPolarHBondContact O-CB 3.42Å; E415-A419 PolarHBondContact O-N 3.18Å
416	S	97.5	Very high	96.9	Very high	0 Å²	0	48 Å²	48	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-60.8	-48.4	173.8	-77.5	0	0	0	0	111.3	Q296 Y305 P412 I413 L414 Q418 A419 I420	Q296-S416 PolarHBondContact OE1-OG 3.21Å; Y305-S416 PolarHBondContact OH-OG 2.88Å; P412-S416 VanDerWaalsContact O-CB 3.29Å; P412-S416 WeakPolarHBondContact O-CB 3.3Å; P412-S416 PolarHBondContact O-N 3.1Å; P412-S416 PolarHBondContact O-OG 2.8Å; P412-S416 VanDerWaalsContact O-OG 3.11Å; I413-S416 WeakPolarHBondContact O-CB 3.29Å; I413-S416 PolarHBondContact O-N 3.35Å; L414-S416 VanDerWaalsContact C-N 3.35Å; L414-S416 PolarHBondContact O-N 2.76Å; S416-Q418 PolarHBondContact O-N 2.86Å; S416-A419 PolarHBondContact O-N 3.39Å; S416-A419 VanDerWaalsContact O-N 3.16Å; S416-I420 WeakPolarHBondContact O-CB 3.22Å; S416-I420 WeakPolarHBondContact O-CD1 3.47Å; S416-I420 WeakPolarHBondContact O-CG1 3.17Å; S416-I420 PolarHBondContact O-N 3.28Å
417	L	98.2	Very high	96.9	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-63.7	-41.4	-179.4	-67.2	-178.6	0	0	0	111.6	V307 I321 L401 I413 L414 A419 I420 F421 I426 V432	V307-L417 HydrophobicContact CB-CD2 4.33Å; V307-L417 HydrophobicContact CG1-CD2 3.43Å; V307-L417 VanDerWaalsContact CG1-CD2 3.43Å; V307-L417 HydrophobicContact CG2-CD2 3.9Å; I321-L417 HydrophobicContact CG2-CD1 4.21Å; I321-L417 HydrophobicContact CG2-CD2 3.66Å; L401-L417 HydrophobicContact CD1-CD1 3.81Å; L401-L417 HydrophobicContact CD2-CD1 3.71Å; L401-L417 HydrophobicContact CG-CD1 4.4Å; I413-L417 HydrophobicContact CG2-CD1 4.03Å; I413-L417 HydrophobicContact CG2-CG 4.27Å; I413-L417 WeakPolarHBondContact O-CB 3.06Å; I413-L417 VanDerWaalsContact O-CG 3.23Å; I413-L417 WeakPolarHBondContact O-CG 3.28Å; I413-L417 PolarHBondContact O-N 2.78Å; L414-L417 PolarHBondContact O-N 3.36Å; L417-A419 VanDerWaalsContact C-N 3.29Å; L417-A419 PolarHBondContact O-N 3.07Å; L417-I420 PolarHBondContact O-N 2.85Å; L417-F421 HydrophobicContact CD2-CD2 4.4Å; L417-F421 HydrophobicContact CD2-CE2 4.03Å; L417-F421 PolarHBondContact O-N 3.1Å; L417-I426 HydrophobicContact CB-CD1 4.01Å; L417-I426 HydrophobicContact CB-CG2 4.17Å; L417-I426 VanDerWaalsContact O-CD1 3.3Å; L417-I426 WeakPolarHBondContact O-CD1 3.45Å; L417-V432 HydrophobicContact CD1-CG1 4Å
418	Q	97.8	Very high	96.8	Very high	88 Å²	88	45.1 Å²	45.1	41%	0.411	24%	0.235	S	C	.	.	H	α-helix	trans	-62.6	-34.4	174.1	-73.2	175.1	-18.7	0	0	112.9	L414 E415 S416 I426	L414-Q418 HydrophobicContact CD1-CG 4.41Å; L414-Q418 WeakPolarHBondContact O-CG 3.18Å; L414-Q418 PolarHBondContact O-N 2.79Å; E415-Q418 PolarHBondContact O-N 3.48Å; S416-Q418 PolarHBondContact O-N 2.86Å; Q418-I426 HydrophobicContact CG-CB 4.06Å; Q418-I426 HydrophobicContact CG-CG2 4.22Å; Q418-I426 PolarHBondContact NE2-O 2.94Å
419	A	97.5	Very high	96.7	Very high	33 Å²	33	50.2 Å²	50.2	27%	0.273	26%	0.262	S	S	.	.	H	α-helix	trans	-80	-33	178.3	0	0	0	0	0	113.3	V293 A297 E415 S416 L417	V293-A419 HydrophobicContact CG1-CB 3.49Å; V293-A419 VanDerWaalsContact CG1-CB 3.49Å; A297-A419 HydrophobicContact CB-CB 3.67Å; E415-A419 WeakPolarHBondContact O-CB 3.42Å; E415-A419 PolarHBondContact O-N 3.18Å; S416-A419 PolarHBondContact O-N 3.39Å; S416-A419 VanDerWaalsContact O-N 3.16Å; L417-A419 VanDerWaalsContact C-N 3.29Å; L417-A419 PolarHBondContact O-N 3.07Å
420	I	97.1	Very high	96.6	Very high	1 Å²	1	48.4 Å²	48.4	1%	0.005	25%	0.25	C	S	.	.	H	α-helix	trans	-74.4	-39.8	177.2	-65.9	162.7	0	0	0	110.5	Q296 A297 F302 V307 S416 L417 P422 W618 R622	Q296-I420 HydrophobicContact CB-CD1 4.13Å; A297-I420 HydrophobicContact CB-CG1 4.31Å; F302-I420 HydrophobicContact CE1-CD1 4.03Å; V307-I420 HydrophobicContact CB-CD1 4.08Å; V307-I420 HydrophobicContact CG1-CD1 4.24Å; V307-I420 HydrophobicContact CG2-CD1 3.94Å; S416-I420 WeakPolarHBondContact O-CB 3.22Å; S416-I420 WeakPolarHBondContact O-CD1 3.47Å; S416-I420 WeakPolarHBondContact O-CG1 3.17Å; S416-I420 PolarHBondContact O-N 3.28Å; L417-I420 PolarHBondContact O-N 2.85Å; I420-P422 VanDerWaalsContact C-CD 3.42Å; I420-P422 VanDerWaalsContact O-CD 3.22Å; I420-P422 WeakPolarHBondContact O-CD 3.34Å; I420-W618 HydrophobicContact CG2-CZ2 4.5Å; I420-R622 HydrophobicContact CG2-CB 4.34Å
421	F	96.9	Very high	96.3	Very high	0 Å²	0	51 Å²	51	0%	0	26%	0.261	C	S	.	.			trans	-118.9	71.4	-177	-51	-58.5	0	0	0	111.5	V307 V309 I321 L417 K423 T424 I426 M625 E626 L629	V307-F421 HydrophobicContact CG1-CE2 3.94Å; V307-F421 HydrophobicContact CG1-CZ 4.13Å; V309-F421 HydrophobicContact CG2-CE1 4.16Å; V309-F421 HydrophobicContact CG2-CZ 3.69Å; I321-F421 HydrophobicContact CD1-CD2 3.97Å; I321-F421 HydrophobicContact CD1-CE2 3.88Å; I321-F421 HydrophobicContact CG1-CE2 4.05Å; I321-F421 HydrophobicContact CG2-CE2 4.35Å; L417-F421 HydrophobicContact CD2-CD2 4.4Å; L417-F421 HydrophobicContact CD2-CE2 4.03Å; L417-F421 PolarHBondContact O-N 3.1Å; F421-K423 VanDerWaalsContact C-N 3.34Å; F421-K423 PolarHBondContact O-N 3.34Å; F421-T424 PolarHBondContact O-N 3.36Å; F421-I426 HydrophobicContact CB-CD1 3.66Å; F421-I426 HydrophobicContact CD2-CD1 3.81Å; F421-I426 HydrophobicContact CG-CD1 4.23Å; F421-M625 HydrophobicContact CE1-CB 3.9Å; F421-M625 HydrophobicContact CE1-CE 4.22Å; F421-M625 HydrophobicContact CZ-CE 3.98Å; F421-E626 WeakPolarHBondContact CA-OE1 2.98Å; F421-E626 HydrophobicContact CB-CG 4.2Å; F421-E626 WeakPolarHBondContact CB-OE1 3.47Å; F421-E626 HydrophobicContact CD1-CB 3.86Å; F421-E626 HydrophobicContact CD1-CG 4.15Å; F421-L629 HydrophobicContact CD1-CD1 4.23Å; F421-L629 HydrophobicContact CD2-CD1 4.17Å; F421-L629 HydrophobicContact CE1-CD1 4.44Å; F421-L629 HydrophobicContact CE2-CD1 4.37Å; F421-L629 HydrophobicContact CG-CD1 4.09Å
422	P	95.4	Very high	96.2	Very high	87 Å²	87	50.6 Å²	50.6	57%	0.565	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.9	-19.7	-172.9	30.2	-37	0	0	0	114.8	I420	I420-P422 VanDerWaalsContact C-CD 3.42Å; I420-P422 VanDerWaalsContact O-CD 3.22Å; I420-P422 WeakPolarHBondContact O-CD 3.34Å
423	K	94	Very high	95.9	Very high	147 Å²	147	51.2 Å²	51.2	64%	0.639	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.2	-16.1	178.2	-55.3	172.4	-178.4	167.9	0	111.7	F421 E602 E626	F421-K423 VanDerWaalsContact C-N 3.34Å; F421-K423 PolarHBondContact O-N 3.34Å; K423-E602 IonicContact NZ-OE1 3.85Å; K423-E602 PolarHBondContact NZ-OE1 2.84Å; K423-E602 IonicContact NZ-OE2 3.62Å; K423-E626 VanDerWaalsContact CA-OE1 3.25Å; K423-E626 WeakPolarHBondContact CA-OE1 3.3Å; K423-E626 WeakPolarHBondContact CB-OE1 3.39Å; K423-E626 PolarHBondContact N-OE1 3.46Å
424	T	94.4	Very high	95.7	Very high	48 Å²	48	50.9 Å²	50.9	29%	0.294	26%	0.26	S	S	.	.	S	Bend	trans	-95.8	130.6	178.6	-54.6	0	0	0	0	110.7	F421 I426 E626 L629	F421-T424 PolarHBondContact O-N 3.36Å; T424-I426 HydrophobicContact CG2-CG1 4.23Å; T424-I426 PolarHBondContact O-N 2.86Å; T424-E626 PolarHBondContact N-OE1 3.07Å; T424-E626 VanDerWaalsContact OG1-CG 3.26Å; T424-E626 WeakPolarHBondContact OG1-CG 3.11Å; T424-E626 PolarHBondContact OG1-OE1 3.06Å; T424-E626 VanDerWaalsContact OG1-OE1 3.09Å; T424-L629 HydrophobicContact CG2-CB 4.49Å; T424-L629 HydrophobicContact CG2-CD1 4.26Å
425	K	94.4	Very high	95.3	Very high	185 Å²	185	53 Å²	53	80%	0.804	27%	0.266	S	S	*	.			trans	-76.4	93.8	179.2	-172	-175.8	177.5	-175.4	0	110.7	T427	K425-T427 HydrophobicContact CG-CG2 4.16Å
426	I	96.3	Very high	95.1	Very high	9 Å²	9	49.2 Å²	49.2	5%	0.046	25%	0.249	C	C	.	.			trans	-96	122.9	177.2	-64.7	159.8	0	0	0	110	I321 L401 L414 L417 Q418 F421 T424	I321-I426 HydrophobicContact CD1-CD1 4.35Å; L401-I426 HydrophobicContact CD1-CG2 3.54Å; L414-I426 HydrophobicContact CD1-CG2 3.91Å; L417-I426 HydrophobicContact CB-CD1 4.01Å; L417-I426 HydrophobicContact CB-CG2 4.17Å; L417-I426 VanDerWaalsContact O-CD1 3.3Å; L417-I426 WeakPolarHBondContact O-CD1 3.45Å; Q418-I426 HydrophobicContact CG-CB 4.06Å; Q418-I426 HydrophobicContact CG-CG2 4.22Å; Q418-I426 PolarHBondContact NE2-O 2.94Å; F421-I426 HydrophobicContact CB-CD1 3.66Å; F421-I426 HydrophobicContact CD2-CD1 3.81Å; F421-I426 HydrophobicContact CG-CD1 4.23Å; T424-I426 HydrophobicContact CG2-CG1 4.23Å; T424-I426 PolarHBondContact O-N 2.86Å
427	T	96.8	Very high	95	Very high	50 Å²	50	49.4 Å²	49.4	31%	0.307	25%	0.25	S	S	.	.			trans	-126.7	174.2	-178.3	65.6	0	0	0	0	110.7	K425 D429 T430	K425-T427 HydrophobicContact CG-CG2 4.16Å; T427-D429 PolarHBondContact O-N 3.03Å; T427-D429 PolarHBondContact OG1-N 3.43Å; T427-T430 PolarHBondContact N-OG1 3.14Å; T427-T430 WeakPolarHBondContact O-CB 3.32Å; T427-T430 PolarHBondContact O-N 2.9Å; T427-T430 PolarHBondContact O-OG1 3.36Å
428	E	96.4	Very high	94.9	Very high	85 Å²	85	52.1 Å²	52.1	40%	0.397	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-22.2	176	-61.9	-166.3	156.5	0	0	112.9	L401 A402 K405 L414 T430	L401-E428 PolarHBondContact N-O 2.87Å; A402-E428 HydrophobicContact CB-CB 4.08Å; A402-E428 WeakPolarHBondContact CB-O 3.49Å; A402-E428 PolarHBondContact N-O 3.48Å; K405-E428 IonicContact NZ-OE1 3.6Å; K405-E428 PolarHBondContact NZ-OE1 2.84Å; L414-E428 HydrophobicContact CD2-CG 3.87Å; E428-T430 VanDerWaalsContact C-N 3.35Å
429	D	95.7	Very high	94.8	Very high	108 Å²	108	48 Å²	48	58%	0.578	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.8	-11	175.5	-62.6	-56.5	0	0	0	113.9	R400 T427 E431	R400-D429 IonicContact NH1-OD1 2.68Å; T427-D429 PolarHBondContact O-N 3.03Å; T427-D429 PolarHBondContact OG1-N 3.43Å; D429-E431 PolarHBondContact O-N 3.37Å
430	T	94.2	Very high	94.8	Very high	33 Å²	33	46.4 Å²	46.4	20%	0.202	23%	0.231	C	C	.	.			trans	-63.2	131.6	179.5	-58	0	0	0	0	110.1	R400 L401 T427 E428	R400-T430 WeakPolarHBondContact CA-O 3.39Å; L401-T430 HydrophobicContact CD1-CG2 4.42Å; L401-T430 WeakPolarHBondContact CG-O 3.36Å; L401-T430 PolarHBondContact N-O 2.77Å; T427-T430 PolarHBondContact N-OG1 3.14Å; T427-T430 WeakPolarHBondContact O-CB 3.32Å; T427-T430 PolarHBondContact O-N 2.9Å; T427-T430 PolarHBondContact O-OG1 3.36Å; E428-T430 VanDerWaalsContact C-N 3.35Å
431	E	92.3	Very high	94.8	Very high	67 Å²	67	49.9 Å²	49.9	31%	0.313	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	135	176.6	-68.8	-176.5	155.6	0	0	110.8	L398 M399 R400 D429	L398-E431 HydrophobicContact CD1-CB 4.05Å; L398-E431 HydrophobicContact CD2-CB 4.2Å; L398-E431 WeakPolarHBondContact CD2-OE2 3.38Å; L398-E431 HydrophobicContact CG-CB 3.98Å; M399-E431 WeakPolarHBondContact O-CA 3.11Å; R400-E431 HydrophobicContact CG-CG 3.88Å; R400-E431 IonicContact NE-OE1 3.93Å; D429-E431 PolarHBondContact O-N 3.37Å
432	V	93.7	Very high	94.9	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	145.3	179.4	-58.6	0	0	0	0	110	I321 L323 L398 M399 L401 L404 L417 V434	I321-V432 HydrophobicContact CB-CB 4.5Å; I321-V432 HydrophobicContact CB-CG1 4.01Å; I321-V432 HydrophobicContact CG2-CG1 4.11Å; I321-V432 WeakPolarHBondContact O-CA 3.27Å; L323-V432 HydrophobicContact CD1-CG2 3.81Å; L323-V432 HydrophobicContact CG-CG2 4.45Å; L398-V432 WeakPolarHBondContact CA-O 3.33Å; M399-V432 PolarHBondContact N-O 2.85Å; M399-V432 PolarHBondContact O-N 3.4Å; L401-V432 HydrophobicContact CD2-CG1 3.85Å; L401-V432 HydrophobicContact CD2-CG2 3.82Å; L401-V432 HydrophobicContact CG-CG1 4.14Å; L404-V432 HydrophobicContact CD2-CG2 4.19Å; L417-V432 HydrophobicContact CD1-CG1 4Å; V432-V434 HydrophobicContact CG2-CG2 4.1Å; V432-V434 PolarHBondContact O-N 3.44Å
433	L	91.8	Very high	95	Very high	20 Å²	20	46.4 Å²	46.4	11%	0.105	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	116.3	175.6	178.7	63.8	0	0	0	109.1	V320 I321 T322 L323 N396	V320-L433 HydrophobicContact CG1-CB 4.06Å; V320-L433 HydrophobicContact CG1-CD2 4.23Å; V320-L433 HydrophobicContact CG2-CB 3.99Å; I321-L433 PolarHBondContact O-N 2.88Å; T322-L433 CarbonylContact C-O 3.55Å; T322-L433 VanDerWaalsContact CA-O 3.3Å; T322-L433 WeakPolarHBondContact CA-O 3.11Å; T322-L433 HydrophobicContact CG2-CB 4.37Å; T322-L433 HydrophobicContact CG2-CD2 4.11Å; T322-L433 HydrophobicContact CG2-CG 4.24Å; L323-L433 PolarHBondContact N-O 3.1Å; N396-L433 HydrophobicContact CB-CD1 4.39Å; N396-L433 WeakPolarHBondContact O-CD1 3.4Å
434	V	93.1	Very high	95.2	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	116	177	-173.1	0	0	0	0	108.7	L323 N396 K397 M399 L404 V432 D436 P437 M440	L323-V434 HydrophobicContact CD1-CG2 4.33Å; N396-V434 CarbonylContact C-O 3.48Å; N396-V434 WeakPolarHBondContact CA-O 3.47Å; N396-V434 PolarHBondContact N-O 3.13Å; K397-V434 PolarHBondContact N-O 3.02Å; K397-V434 PolarHBondContact O-N 2.97Å; M399-V434 HydrophobicContact CB-CG2 4.14Å; M399-V434 HydrophobicContact CG-CG2 4.26Å; M399-V434 HydrophobicContact SD-CB 4.35Å; M399-V434 HydrophobicContact SD-CG2 4.11Å; L404-V434 HydrophobicContact CD1-CG2 4.35Å; L404-V434 HydrophobicContact CD2-CG2 4.12Å; V432-V434 HydrophobicContact CG2-CG2 4.1Å; V432-V434 PolarHBondContact O-N 3.44Å; V434-D436 VanDerWaalsContact C-N 3.33Å; V434-D436 PolarHBondContact O-N 3.37Å; V434-P437 HydrophobicContact CB-CG 4.26Å; V434-P437 HydrophobicContact CG1-CB 4.34Å; V434-P437 HydrophobicContact CG1-CG 4.03Å; V434-M440 HydrophobicContact CG1-CG 3.78Å
435	R	89.9	Confident	95.4	Very high	63 Å²	63	40 Å²	40	24%	0.238	20%	0.198	C	C	.	.	S	Bend	trans	-58.9	-45.5	-179.9	-70.4	-60.3	-167.8	-177.2	0.6	112	E310 T322 L323 D324 I395 N396	E310-R435 IonicContact OE1-CZ 2.89Å; E310-R435 IonicContact OE1-NH2 2.6Å; E310-R435 PolarHBondContact OE1-NH2 3.38Å; E310-R435 IonicContact OE2-CZ 2.79Å; E310-R435 IonicContact OE2-NH2 2.74Å; E310-R435 PolarHBondContact OE2-NH2 3.37Å; T322-R435 HydrophobicContact CG2-CG 4.1Å; L323-R435 WeakPolarHBondContact O-CG 3.41Å; L323-R435 PolarHBondContact O-N 3.1Å; D324-R435 HydrophobicContact CB-CB 4.49Å; D324-R435 HydrophobicContact CB-CG 3.88Å; I395-R435 CarbonylContact C-O 3.56Å; I395-R435 WeakPolarHBondContact CA-O 3.2Å; N396-R435 PolarHBondContact N-O 3.28Å; N396-R435 WeakPolarHBondContact OD1-CD 3.47Å; N396-R435 PolarHBondContact OD1-NH1 2.96Å
436	D	93.2	Very high	95.5	Very high	10 Å²	10	31.1 Å²	31.1	5%	0.053	16%	0.16	C	C	.	.			trans	-145.5	101.4	177.9	-167.7	-39	0	0	0	110.3	R393 V434 E438 V439 M440	R393-D436 IonicContact CZ-OD2 3.48Å; R393-D436 IonicContact NE-OD2 3.37Å; R393-D436 PolarHBondContact NE-OD2 3.5Å; R393-D436 IonicContact NH2-OD2 2.75Å; V434-D436 VanDerWaalsContact C-N 3.33Å; V434-D436 PolarHBondContact O-N 3.37Å; D436-E438 VanDerWaalsContact C-N 3.3Å; D436-E438 PolarHBondContact O-N 3.32Å; D436-E438 PolarHBondContact OD1-N 3.46Å; D436-V439 HydrophobicContact CB-CB 3.91Å; D436-V439 HydrophobicContact CB-CG2 3.83Å; D436-V439 PolarHBondContact O-N 2.92Å; D436-V439 PolarHBondContact OD1-N 3.15Å; D436-V439 WeakPolarHBondContact OD2-CG2 3.19Å; D436-M440 WeakPolarHBondContact O-CG 3.48Å; D436-M440 PolarHBondContact O-N 2.73Å
437	P	94.9	Very high	95.6	Very high	4 Å²	4	30.9 Å²	30.9	3%	0.026	16%	0.158	C	C	.	.	H	α-helix	trans	-64.3	-28.6	178.7	-23.2	35.1	0	0	0	114.4	P394 K397 M399 V434 H441	P394-P437 WeakPolarHBondContact O-CD 3.45Å; K397-P437 HydrophobicContact CB-CG 3.97Å; K397-P437 HydrophobicContact CD-CG 4.33Å; M399-P437 HydrophobicContact SD-CB 3.83Å; M399-P437 HydrophobicContact SD-CG 3.76Å; V434-P437 HydrophobicContact CB-CG 4.26Å; V434-P437 HydrophobicContact CG1-CB 4.34Å; V434-P437 HydrophobicContact CG1-CG 4.03Å; P437-H441 PolarHBondContact O-N 2.89Å; P437-H441 VanDerWaalsContact O-N 3.16Å
438	E	96.2	Very high	95.5	Very high	57 Å²	57	32.1 Å²	32.1	27%	0.266	17%	0.169	S	C	.	.	H	α-helix	trans	-75.3	-35.8	179	-64	-51.2	139.3	0	0	110.9	A387 R393 K407 D436 M440 H441 A442	A387-E438 HydrophobicContact CB-CB 4.44Å; R393-E438 HydrophobicContact CB-CG 4.23Å; K407-E438 WeakPolarHBondContact CE-OE1 3.34Å; K407-E438 IonicContact NZ-OE1 2.74Å; K407-E438 PolarHBondContact NZ-OE1 3.16Å; K407-E438 IonicContact NZ-OE2 2.79Å; K407-E438 PolarHBondContact NZ-OE2 2.89Å; D436-E438 VanDerWaalsContact C-N 3.3Å; D436-E438 PolarHBondContact O-N 3.32Å; D436-E438 PolarHBondContact OD1-N 3.46Å; E438-M440 PolarHBondContact O-N 2.87Å; E438-H441 WeakPolarHBondContact O-CB 3.37Å; E438-H441 PolarHBondContact O-N 3.11Å; E438-A442 WeakPolarHBondContact O-CB 3.48Å; E438-A442 PolarHBondContact O-N 3.03Å
439	V	96.8	Very high	95.5	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-62	-42.8	170.9	171.6	0	0	0	0	111.5	E325 I384 A387 K388 D436 H441 A442 L443	E325-V439 HydrophobicContact CG-CG1 3.89Å; I384-V439 HydrophobicContact CG1-CG1 4.04Å; I384-V439 HydrophobicContact CG2-CG1 4.05Å; I384-V439 HydrophobicContact CG2-CG2 3.97Å; A387-V439 HydrophobicContact CB-CG2 4.2Å; K388-V439 HydrophobicContact CG-CG2 4.02Å; D436-V439 HydrophobicContact CB-CB 3.91Å; D436-V439 HydrophobicContact CB-CG2 3.83Å; D436-V439 PolarHBondContact O-N 2.92Å; D436-V439 PolarHBondContact OD1-N 3.15Å; D436-V439 WeakPolarHBondContact OD2-CG2 3.19Å; V439-H441 VanDerWaalsContact C-N 3.27Å; V439-H441 PolarHBondContact O-N 3.11Å; V439-A442 PolarHBondContact O-N 3.36Å; V439-L443 HydrophobicContact CG1-CD1 3.93Å; V439-L443 HydrophobicContact CG1-CG 4.32Å; V439-L443 WeakPolarHBondContact O-CB 3.37Å; V439-L443 VanDerWaalsContact O-CG 3.29Å; V439-L443 WeakPolarHBondContact O-CG 3.38Å; V439-L443 PolarHBondContact O-N 3.31Å
440	M	97.9	Very high	95.5	Very high	1 Å²	1	27.2 Å²	27.2	1%	0.005	15%	0.15	C	C	.	.	H	α-helix	trans	-59.9	-39.3	175	-64.6	-61.5	149	0	0	112	L323 D324 L404 A408 L411 V434 D436 E438 S444	L323-M440 HydrophobicContact CB-CE 4.44Å; D324-M440 WeakPolarHBondContact O-CE 3.38Å; L404-M440 HydrophobicContact CD1-CB 4.42Å; A408-M440 HydrophobicContact CB-CB 4.31Å; A408-M440 WeakPolarHBondContact CB-O 3.32Å; L411-M440 HydrophobicContact CD1-CB 4.44Å; L411-M440 HydrophobicContact CD1-SD 4.18Å; V434-M440 HydrophobicContact CG1-CG 3.78Å; D436-M440 WeakPolarHBondContact O-CG 3.48Å; D436-M440 PolarHBondContact O-N 2.73Å; E438-M440 PolarHBondContact O-N 2.87Å; M440-S444 WeakPolarHBondContact O-CB 3.35Å; M440-S444 PolarHBondContact O-N 2.9Å
441	H	97.5	Very high	95.4	Very high	73 Å²	73	31.9 Å²	31.9	34%	0.338	17%	0.174	S	C	.	.	H	α-helix	trans	-64.9	-48.1	174.3	-179.6	65.8	0	0	0	112	K407 P437 E438 V439 L443 S444 V445	K407-H441 HydrophobicContact CD-CB 4.02Å; K407-H441 HydrophobicContact CG-CB 4.17Å; K407-H441 PolarHBondContact O-ND1 2.87Å; P437-H441 PolarHBondContact O-N 2.89Å; P437-H441 VanDerWaalsContact O-N 3.16Å; E438-H441 WeakPolarHBondContact O-CB 3.37Å; E438-H441 PolarHBondContact O-N 3.11Å; V439-H441 VanDerWaalsContact C-N 3.27Å; V439-H441 PolarHBondContact O-N 3.11Å; H441-L443 VanDerWaalsContact C-N 3.33Å; H441-L443 PolarHBondContact O-N 3.23Å; H441-S444 WeakPolarHBondContact O-CA 3.46Å; H441-S444 VanDerWaalsContact O-CB 3.3Å; H441-S444 WeakPolarHBondContact O-CB 3.38Å; H441-S444 PolarHBondContact O-N 3.29Å; H441-V445 WeakPolarHBondContact O-CG2 3.44Å; H441-V445 PolarHBondContact O-N 3.34Å
442	A	97.7	Very high	95.3	Very high	14 Å²	14	33.1 Å²	33.1	12%	0.116	18%	0.178	C	C	.	.	H	α-helix	trans	-60.5	-40.9	179.8	0	0	0	0	0	112.3	H383 A387 E438 V439 S444 V445 L446	H383-A442 HydrophobicContact CB-CB 4.39Å; H383-A442 WeakPolarHBondContact O-CB 3.28Å; A387-A442 HydrophobicContact CB-CB 3.82Å; E438-A442 WeakPolarHBondContact O-CB 3.48Å; E438-A442 PolarHBondContact O-N 3.03Å; V439-A442 PolarHBondContact O-N 3.36Å; A442-S444 VanDerWaalsContact C-N 3.33Å; A442-S444 PolarHBondContact O-N 2.77Å; A442-V445 PolarHBondContact O-N 3.03Å; A442-L446 WeakPolarHBondContact O-CB 3.21Å; A442-L446 PolarHBondContact O-N 3.23Å
443	L	98.1	Very high	95.1	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-65	-36.6	173.4	-68.8	171	0	0	0	112.3	Y304 I380 I384 L411 V439 H441 L446 L447	Y304-L443 HydrophobicContact CD1-CD2 4.42Å; Y304-L443 WeakPolarHBondContact O-CD1 3.43Å; I380-L443 HydrophobicContact CG2-CD2 3.9Å; I384-L443 HydrophobicContact CD1-CD2 4.26Å; I384-L443 HydrophobicContact CG1-CD2 4.08Å; I384-L443 HydrophobicContact CG1-CG 4.49Å; L411-L443 HydrophobicContact CD1-CB 4.41Å; V439-L443 HydrophobicContact CG1-CD1 3.93Å; V439-L443 HydrophobicContact CG1-CG 4.32Å; V439-L443 WeakPolarHBondContact O-CB 3.37Å; V439-L443 VanDerWaalsContact O-CG 3.29Å; V439-L443 WeakPolarHBondContact O-CG 3.38Å; V439-L443 PolarHBondContact O-N 3.31Å; H441-L443 VanDerWaalsContact C-N 3.33Å; H441-L443 PolarHBondContact O-N 3.23Å; L443-L446 PolarHBondContact O-N 2.97Å; L443-L447 PolarHBondContact O-N 2.85Å
444	S	98.1	Very high	95.2	Very high	4 Å²	4	37.7 Å²	37.7	3%	0.028	20%	0.2	C	C	.	.	H	α-helix	trans	-64.2	-40.5	173.5	178.8	0	0	0	0	112.1	A408 P409 S410 M440 H441 A442 S448	A408-S444 VanDerWaalsContact C-OG 3.29Å; A408-S444 WeakPolarHBondContact CA-OG 3.36Å; P409-S444 WeakPolarHBondContact CD-OG 3.19Å; S410-S444 VanDerWaalsContact CB-O 3.24Å; S410-S444 WeakPolarHBondContact CB-O 3.39Å; S410-S444 VanDerWaalsContact CB-OG 3.3Å; S410-S444 WeakPolarHBondContact CB-OG 3.34Å; S410-S444 PolarHBondContact N-OG 3.44Å; S410-S444 PolarHBondContact OG-O 2.79Å; S410-S444 PolarHBondContact OG-OG 3.34Å; M440-S444 WeakPolarHBondContact O-CB 3.35Å; M440-S444 PolarHBondContact O-N 2.9Å; H441-S444 WeakPolarHBondContact O-CA 3.46Å; H441-S444 VanDerWaalsContact O-CB 3.3Å; H441-S444 WeakPolarHBondContact O-CB 3.38Å; H441-S444 PolarHBondContact O-N 3.29Å; A442-S444 VanDerWaalsContact C-N 3.33Å; A442-S444 PolarHBondContact O-N 2.77Å; S444-S448 PolarHBondContact O-N 3.48Å; S444-S448 VanDerWaalsContact O-N 3.11Å; S444-S448 PolarHBondContact O-OG 3.01Å
445	V	98	Very high	95.2	Very high	56 Å²	56	37.8 Å²	37.8	34%	0.339	20%	0.201	S	C	.	.	H	α-helix	trans	-65.3	-46.8	175	173.8	0	0	0	0	110.7	H441 A442 L447 S448 T449	H441-V445 WeakPolarHBondContact O-CG2 3.44Å; H441-V445 PolarHBondContact O-N 3.34Å; A442-V445 PolarHBondContact O-N 3.03Å; V445-L447 VanDerWaalsContact C-N 3.34Å; V445-L447 PolarHBondContact O-N 3Å; V445-S448 WeakPolarHBondContact CA-OG 3.44Å; V445-S448 PolarHBondContact O-N 3.15Å; V445-S448 VanDerWaalsContact O-N 3.16Å; V445-S448 PolarHBondContact O-OG 3.35Å; V445-T449 HydrophobicContact CG1-CG2 4.37Å; V445-T449 WeakPolarHBondContact O-CG2 3.26Å; V445-T449 PolarHBondContact O-N 3.48Å; V445-T449 PolarHBondContact O-OG1 3.2Å
446	L	97.8	Very high	95.4	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-52.1	-51.4	175.7	177.9	92.5	0	0	0	111.3	Y304 R379 I380 A442 L443 S448 T449 S450	Y304-L446 HydrophobicContact CD1-CD2 4.34Å; Y304-L446 HydrophobicContact CE1-CD2 4.06Å; R379-L446 HydrophobicContact CB-CD1 4.35Å; R379-L446 HydrophobicContact CG-CD1 3.62Å; I380-L446 HydrophobicContact CB-CD2 4.28Å; I380-L446 HydrophobicContact CG1-CD2 3.49Å; I380-L446 VanDerWaalsContact CG1-CD2 3.49Å; A442-L446 WeakPolarHBondContact O-CB 3.21Å; A442-L446 PolarHBondContact O-N 3.23Å; L443-L446 PolarHBondContact O-N 2.97Å; L446-S448 VanDerWaalsContact C-N 3.35Å; L446-S448 PolarHBondContact O-N 3.31Å; L446-T449 CarbonylContact O-C 3.58Å; L446-T449 PolarHBondContact O-N 3.41Å; L446-T449 PolarHBondContact O-OG1 3.16Å; L446-S450 VanDerWaalsContact O-CB 3.28Å; L446-S450 WeakPolarHBondContact O-CB 3.49Å; L446-S450 PolarHBondContact O-N 2.79Å; L446-S450 PolarHBondContact O-OG 2.79Å
447	L	96.9	Very high	95.4	Very high	3 Å²	3	34.5 Å²	34.5	2%	0.016	19%	0.188	C	C	.	.	H	α-helix	trans	-64.9	-37.1	-179.4	-77	170.7	0	0	0	112.9	Y288 Y304 L411 L443 V445 T449 I455	Y288-L447 HydrophobicContact CD2-CD2 4.39Å; Y288-L447 HydrophobicContact CE2-CB 4.35Å; Y288-L447 HydrophobicContact CE2-CD1 4.12Å; Y288-L447 HydrophobicContact CE2-CD2 4.43Å; Y304-L447 HydrophobicContact CD1-CD2 4.46Å; Y304-L447 HydrophobicContact CD2-CD1 4.43Å; Y304-L447 HydrophobicContact CD2-CD2 4.45Å; Y304-L447 HydrophobicContact CE1-CD2 3.91Å; Y304-L447 HydrophobicContact CE1-CG 4.39Å; Y304-L447 HydrophobicContact CE2-CD2 3.91Å; Y304-L447 HydrophobicContact CG-CD1 4.43Å; L411-L447 HydrophobicContact CD2-CD1 3.37Å; L443-L447 PolarHBondContact O-N 2.85Å; V445-L447 VanDerWaalsContact C-N 3.34Å; V445-L447 PolarHBondContact O-N 3Å; L447-T449 VanDerWaalsContact C-N 3.25Å; L447-T449 PolarHBondContact O-N 3.07Å; L447-I455 HydrophobicContact CD2-CD1 4Å; L447-I455 HydrophobicContact CD2-CG1 4.11Å; L447-I455 HydrophobicContact CD2-CG2 4.09Å
448	S	96.4	Very high	95.4	Very high	77 Å²	77	34.4 Å²	34.4	54%	0.538	19%	0.187	S	C	.	.	H	α-helix	trans	-69.1	-24.2	177.8	70.1	0	0	0	0	113.6	S444 V445 L446	S444-S448 PolarHBondContact O-N 3.48Å; S444-S448 VanDerWaalsContact O-N 3.11Å; S444-S448 PolarHBondContact O-OG 3.01Å; V445-S448 WeakPolarHBondContact CA-OG 3.44Å; V445-S448 PolarHBondContact O-N 3.15Å; V445-S448 VanDerWaalsContact O-N 3.16Å; V445-S448 PolarHBondContact O-OG 3.35Å; L446-S448 VanDerWaalsContact C-N 3.35Å; L446-S448 PolarHBondContact O-N 3.31Å
449	T	96	Very high	95.4	Very high	76 Å²	76	31.7 Å²	31.7	47%	0.466	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107.7	12.6	-176	59.1	0	0	0	0	113	R379 V445 L446 L447	R379-T449 PolarHBondContact NH2-O 3.02Å; R379-T449 VanDerWaalsContact NH2-O 3.12Å; R379-T449 PolarHBondContact NH2-OG1 3.44Å; V445-T449 HydrophobicContact CG1-CG2 4.37Å; V445-T449 WeakPolarHBondContact O-CG2 3.26Å; V445-T449 PolarHBondContact O-N 3.48Å; V445-T449 PolarHBondContact O-OG1 3.2Å; L446-T449 CarbonylContact O-C 3.58Å; L446-T449 PolarHBondContact O-N 3.41Å; L446-T449 PolarHBondContact O-OG1 3.16Å; L447-T449 VanDerWaalsContact C-N 3.25Å; L447-T449 PolarHBondContact O-N 3.07Å
450	S	95.2	Very high	95.2	Very high	14 Å²	14	31.7 Å²	31.7	10%	0.098	17%	0.174	C	C	.	.	S	Bend	trans	-114.4	140.5	-179	-65.4	0	0	0	0	111	R379 L446	R379-S450 PolarHBondContact NH1-OG 3.24Å; L446-S450 VanDerWaalsContact O-CB 3.28Å; L446-S450 WeakPolarHBondContact O-CB 3.49Å; L446-S450 PolarHBondContact O-N 2.79Å; L446-S450 PolarHBondContact O-OG 2.79Å
451	D	92.3	Very high	95.1	Very high	131 Å²	131	31.7 Å²	31.7	70%	0.701	17%	0.174	S	C	*	.			trans	-67.3	157	174.9	-66.9	-39.6	0	0	0	111.3	K453 P454 I455	D451-K453 PolarHBondContact O-N 3.02Å; D451-P454 HydrophobicContact CB-CG 4.3Å; D451-P454 WeakPolarHBondContact O-CD 3.48Å; D451-P454 VanDerWaalsContact O-CG 3.28Å; D451-P454 WeakPolarHBondContact O-CG 3.3Å; D451-I455 WeakPolarHBondContact O-CG1 3.46Å
452	K	90.1	Very high	95	Very high	93 Å²	93	28.2 Å²	28.2	40%	0.404	16%	0.158	S	C	.	.	H	α-helix	trans	-58.1	-33.5	179.7	-65.2	-171.5	-179.9	-164.1	0	113.1	L283 W286 N456	L283-K452 PolarHBondContact O-NZ 3.46Å; W286-K452 HydrophobicContact CE3-CB 4.3Å; W286-K452 HydrophobicContact CE3-CD 4.35Å; W286-K452 HydrophobicContact CE3-CG 4.47Å; W286-K452 HydrophobicContact CZ3-CB 4.26Å; W286-K452 PolarHBondContact O-NZ 3.3Å; K452-N456 VanDerWaalsContact O-CB 3.3Å; K452-N456 WeakPolarHBondContact O-CB 3.33Å; K452-N456 PolarHBondContact O-N 3.34Å
453	K	89.6	Confident	94.8	Very high	86 Å²	86	27.7 Å²	27.7	37%	0.374	15%	0.154	S	C	.	.	H	α-helix	trans	-61.1	-59	-176	-176	-171.8	-178.9	-143	0	113.9	Q275 D372 D451 I455 N456 N457	Q275-K453 HydrophobicContact CG-CG 4.21Å; Q275-K453 VanDerWaalsContact OE1-CB 3.27Å; D372-K453 IonicContact OD2-NZ 3.9Å; D372-K453 PolarHBondContact OD2-NZ 2.96Å; D451-K453 PolarHBondContact O-N 3.02Å; K453-I455 VanDerWaalsContact C-N 3.28Å; K453-I455 PolarHBondContact O-N 3.02Å; K453-N456 PolarHBondContact O-N 3.47Å; K453-N457 WeakPolarHBondContact O-CB 3.25Å; K453-N457 PolarHBondContact O-N 3.26Å
454	P	92.9	Very high	94.7	Very high	30 Å²	30	27.8 Å²	27.8	20%	0.195	15%	0.154	C	C	.	.	H	α-helix	trans	-60.9	-37.9	178.7	22.1	-34	0	0	0	112.4	Y376 D451 N457 F458	Y376-P454 HydrophobicContact CD1-CB 4.34Å; Y376-P454 HydrophobicContact CD2-CB 3.53Å; Y376-P454 HydrophobicContact CD2-CG 4.23Å; Y376-P454 HydrophobicContact CE2-CB 3.95Å; Y376-P454 HydrophobicContact CE2-CG 4.32Å; Y376-P454 HydrophobicContact CG-CB 3.74Å; D451-P454 HydrophobicContact CB-CG 4.3Å; D451-P454 WeakPolarHBondContact O-CD 3.48Å; D451-P454 VanDerWaalsContact O-CG 3.28Å; D451-P454 WeakPolarHBondContact O-CG 3.3Å; P454-N457 PolarHBondContact O-N 3.41Å; P454-F458 WeakPolarHBondContact O-CB 3.41Å; P454-F458 PolarHBondContact O-N 3.08Å
455	I	94.6	Very high	94.5	Very high	2 Å²	2	30.4 Å²	30.4	1%	0.01	16%	0.163	C	C	.	.	H	α-helix	trans	-61.2	-47.8	176	-57.8	170.3	0	0	0	110.8	W286 Y288 Y376 L447 D451 K453 I459	W286-I455 HydrophobicContact CH2-CB 4.4Å; W286-I455 HydrophobicContact CH2-CG2 3.96Å; W286-I455 HydrophobicContact CZ3-CG2 4.44Å; Y288-I455 HydrophobicContact CD1-CD1 4.27Å; Y288-I455 HydrophobicContact CG-CG2 4.21Å; Y376-I455 WeakPolarHBondContact OH-CG1 3.16Å; L447-I455 HydrophobicContact CD2-CD1 4Å; L447-I455 HydrophobicContact CD2-CG1 4.11Å; L447-I455 HydrophobicContact CD2-CG2 4.09Å; D451-I455 WeakPolarHBondContact O-CG1 3.46Å; K453-I455 VanDerWaalsContact C-N 3.28Å; K453-I455 PolarHBondContact O-N 3.02Å; I455-I459 HydrophobicContact CG2-CD1 3.85Å; I455-I459 WeakPolarHBondContact O-CB 3.49Å; I455-I459 WeakPolarHBondContact O-CG1 3.45Å; I455-I459 PolarHBondContact O-N 3.11Å
456	N	93.4	Very high	94.3	Very high	1 Å²	1	31.4 Å²	31.4	1%	0.005	16%	0.163	C	C	.	.	H	α-helix	trans	-63.9	-46	179.4	179.2	-101.5	0	0	0	111.8	G273 W274 Q275 W286 K452 K453 F458 I459 V460	G273-N456 PolarHBondContact O-ND2 3.44Å; G273-N456 VanDerWaalsContact O-ND2 3.13Å; W274-N456 WeakPolarHBondContact CA-OD1 3.44Å; Q275-N456 WeakPolarHBondContact CB-OD1 3.17Å; Q275-N456 PolarHBondContact N-OD1 3.21Å; W286-N456 VanDerWaalsContact CE2-ND2 3.3Å; W286-N456 HydrophobicContact CH2-CB 3.74Å; W286-N456 HydrophobicContact CZ2-CB 3.83Å; W286-N456 VanDerWaalsContact CZ2-ND2 3.31Å; W286-N456 WeakPolarHBondContact CZ2-ND2 3.48Å; W286-N456 HydrophobicContact CZ3-CB 4.18Å; W286-N456 PolarHBondContact NE1-ND2 2.96Å; K452-N456 VanDerWaalsContact O-CB 3.3Å; K452-N456 WeakPolarHBondContact O-CB 3.33Å; K452-N456 PolarHBondContact O-N 3.34Å; K453-N456 PolarHBondContact O-N 3.47Å; N456-F458 PolarHBondContact O-N 3.33Å; N456-I459 PolarHBondContact O-N 3.34Å; N456-V460 WeakPolarHBondContact O-CB 2.88Å; N456-V460 WeakPolarHBondContact O-CG2 3.49Å; N456-V460 PolarHBondContact O-N 3.38Å
457	N	92.9	Very high	94.1	Very high	3 Å²	3	32.2 Å²	32.2	2%	0.016	17%	0.167	C	C	.	.	H	α-helix	trans	-60.2	-44.9	178.1	-80.8	-9.8	0	0	0	111.8	W274 F369 I373 K453 P454 W461	W274-N457 PolarHBondContact NE1-OD1 3.36Å; F369-N457 HydrophobicContact CE2-CB 4.08Å; I373-N457 HydrophobicContact CD1-CB 4.17Å; I373-N457 HydrophobicContact CG1-CB 3.94Å; K453-N457 WeakPolarHBondContact O-CB 3.25Å; K453-N457 PolarHBondContact O-N 3.26Å; P454-N457 PolarHBondContact O-N 3.41Å; N457-W461 VanDerWaalsContact O-CB 3.23Å; N457-W461 WeakPolarHBondContact O-CB 3.45Å; N457-W461 PolarHBondContact O-N 3.41Å
458	F	95.5	Very high	93.9	Very high	1 Å²	1	32.2 Å²	32.2	0%	0.004	17%	0.167	C	C	.	.	H	α-helix	trans	-63	-48.7	177.5	176.6	-116.9	0	0	0	112	P303 Y304 Y376 E377 I380 P454 N456 V460 W461 S462	P303-F458 HydrophobicContact CB-CD1 4.17Å; P303-F458 HydrophobicContact CB-CE1 3.53Å; P303-F458 HydrophobicContact CB-CZ 4.17Å; Y304-F458 HydrophobicContact CD1-CE1 4.24Å; Y304-F458 HydrophobicContact CD2-CE1 4.45Å; Y304-F458 AromaticContact CE1-CD1 3.95Å; Y304-F458 HydrophobicContact CE1-CD1 3.95Å; Y304-F458 AromaticContact CE1-CE1 3.83Å; Y304-F458 HydrophobicContact CE1-CE1 3.83Å; Y304-F458 AromaticContact CE2-CD1 3.98Å; Y304-F458 HydrophobicContact CE2-CD1 3.98Å; Y304-F458 HydrophobicContact CE2-CE1 4.05Å; Y304-F458 AromaticContact CZ-CD1 3.5Å; Y304-F458 AromaticContact CZ-CE1 3.73Å; Y304-F458 WeakPolarHBondContact OH-CD1 3.48Å; Y376-F458 HydrophobicContact CD1-CB 3.68Å; Y376-F458 HydrophobicContact CD1-CD1 4.48Å; Y376-F458 HydrophobicContact CD1-CG 4.03Å; Y376-F458 HydrophobicContact CE1-CB 3.78Å; Y376-F458 HydrophobicContact CE1-CD1 4.04Å; Y376-F458 HydrophobicContact CE1-CG 4.02Å; E377-F458 HydrophobicContact CG-CD2 3.66Å; E377-F458 HydrophobicContact CG-CE2 3.57Å; E377-F458 WeakPolarHBondContact OE1-CE2 3.15Å; I380-F458 HydrophobicContact CD1-CD1 3.98Å; I380-F458 HydrophobicContact CD1-CD2 4.43Å; I380-F458 HydrophobicContact CD1-CE1 3.58Å; I380-F458 HydrophobicContact CD1-CE2 4.12Å; I380-F458 HydrophobicContact CD1-CG 4.38Å; I380-F458 HydrophobicContact CD1-CZ 3.67Å; P454-F458 WeakPolarHBondContact O-CB 3.41Å; P454-F458 PolarHBondContact O-N 3.08Å; N456-F458 PolarHBondContact O-N 3.33Å; F458-V460 PolarHBondContact O-N 2.88Å; F458-W461 PolarHBondContact O-N 2.89Å; F458-S462 PolarHBondContact O-N 2.61Å; F458-S462 PolarHBondContact O-OG 3.04Å
459	I	95.1	Very high	93.6	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-59	-46.3	178.4	-74.9	172.1	0	0	0	111.8	W286 V291 L292 L295 P303 Y304 I455 N456 W461 S462 L463	W286-I459 HydrophobicContact CH2-CD1 4.32Å; W286-I459 HydrophobicContact CZ2-CD1 4.41Å; V291-I459 HydrophobicContact CG1-CD1 4.45Å; V291-I459 HydrophobicContact CG1-CG2 3.82Å; L292-I459 HydrophobicContact CD2-CD1 3.75Å; L292-I459 HydrophobicContact CD2-CG1 4.13Å; L292-I459 HydrophobicContact CG-CD1 4.16Å; L295-I459 HydrophobicContact CD2-CG2 3.95Å; P303-I459 HydrophobicContact CG-CG1 4.24Å; Y304-I459 HydrophobicContact CE2-CG1 4.31Å; I455-I459 HydrophobicContact CG2-CD1 3.85Å; I455-I459 WeakPolarHBondContact O-CB 3.49Å; I455-I459 WeakPolarHBondContact O-CG1 3.45Å; I455-I459 PolarHBondContact O-N 3.11Å; N456-I459 PolarHBondContact O-N 3.34Å; I459-W461 VanDerWaalsContact C-N 3.33Å; I459-S462 PolarHBondContact O-N 3.06Å; I459-L463 PolarHBondContact O-N 3.37Å; I459-L463 VanDerWaalsContact O-N 3.13Å
460	V	93.3	Very high	93.4	Very high	1 Å²	1	29.5 Å²	29.5	1%	0.006	15%	0.146	C	C	.	.	H	α-helix	trans	-66.2	-38.7	179.4	170	0	0	0	0	110.9	I268 W274 N456 F458 L463 A464	I268-V460 HydrophobicContact CD1-CG1 4.07Å; I268-V460 HydrophobicContact CG1-CG1 3.95Å; W274-V460 HydrophobicContact CB-CB 4.48Å; W274-V460 HydrophobicContact CB-CG1 4.03Å; W274-V460 HydrophobicContact CB-CG2 3.92Å; W274-V460 HydrophobicContact CD2-CG1 3.79Å; W274-V460 HydrophobicContact CE3-CG1 4.31Å; W274-V460 HydrophobicContact CG-CB 4.11Å; W274-V460 HydrophobicContact CG-CG1 3.64Å; W274-V460 HydrophobicContact CG-CG2 4.01Å; N456-V460 WeakPolarHBondContact O-CB 2.88Å; N456-V460 WeakPolarHBondContact O-CG2 3.49Å; N456-V460 PolarHBondContact O-N 3.38Å; F458-V460 PolarHBondContact O-N 2.88Å; V460-L463 WeakPolarHBondContact O-CB 3.5Å; V460-L463 PolarHBondContact O-N 3.01Å; V460-A464 WeakPolarHBondContact O-CB 3.32Å; V460-A464 PolarHBondContact O-N 3.43Å
461	W	95.1	Very high	93.2	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-64.3	-42.6	174.2	172.6	-118.6	0	0	0	112.4	Y348 L351 L352 F355 I373 N457 F458 I459 L463 A464 R465 L468	Y348-W461 HydrophobicContact CE2-CZ2 4.03Å; Y348-W461 AromaticContact CZ-NE1 3.83Å; Y348-W461 PolarHBondContact OH-NE1 2.99Å; L351-W461 HydrophobicContact CD1-CH2 4.29Å; L351-W461 HydrophobicContact CD2-CH2 4.01Å; L351-W461 HydrophobicContact CD2-CZ2 4.05Å; L351-W461 HydrophobicContact CG-CH2 3.8Å; L351-W461 HydrophobicContact CG-CZ2 4.22Å; L352-W461 HydrophobicContact CD2-CD2 3.39Å; L352-W461 HydrophobicContact CD2-CE3 3.82Å; L352-W461 HydrophobicContact CD2-CG 3.83Å; L352-W461 HydrophobicContact CD2-CH2 4.02Å; L352-W461 HydrophobicContact CD2-CZ2 3.59Å; L352-W461 HydrophobicContact CD2-CZ3 4.12Å; L352-W461 HydrophobicContact CG-CZ2 4.25Å; F355-W461 HydrophobicContact CB-CZ3 4.01Å; F355-W461 AromaticContact CD1-CE3 3.84Å; F355-W461 HydrophobicContact CD1-CE3 3.84Å; F355-W461 AromaticContact CD1-CZ3 3.69Å; F355-W461 HydrophobicContact CD1-CZ3 3.69Å; F355-W461 HydrophobicContact CD2-CZ3 4.36Å; F355-W461 HydrophobicContact CE1-CE3 4.09Å; F355-W461 HydrophobicContact CE1-CZ3 4.28Å; F355-W461 HydrophobicContact CG-CE3 4.35Å; F355-W461 AromaticContact CG-CZ3 3.74Å; F355-W461 HydrophobicContact CG-CZ3 3.74Å; I373-W461 HydrophobicContact CD1-CB 3.71Å; I373-W461 HydrophobicContact CD1-CG 4.08Å; I373-W461 HydrophobicContact CG2-CG 4.45Å; N457-W461 VanDerWaalsContact O-CB 3.23Å; N457-W461 WeakPolarHBondContact O-CB 3.45Å; N457-W461 PolarHBondContact O-N 3.41Å; F458-W461 PolarHBondContact O-N 2.89Å; I459-W461 VanDerWaalsContact C-N 3.33Å; W461-L463 PolarHBondContact O-N 2.86Å; W461-A464 HydrophobicContact CE3-CB 4.37Å; W461-A464 PolarHBondContact O-N 3.43Å; W461-R465 HydrophobicContact CD2-CB 4.36Å; W461-R465 HydrophobicContact CH2-CB 4.33Å; W461-R465 HydrophobicContact CZ2-CB 4.08Å; W461-R465 HydrophobicContact CZ2-CG 4.13Å; W461-R465 WeakPolarHBondContact O-CB 3.24Å; W461-R465 PolarHBondContact O-N 3.45Å; W461-L468 HydrophobicContact CH2-CD1 3.97Å; W461-L468 HydrophobicContact CZ3-CD1 4.2Å
462	S	95.6	Very high	93.3	Very high	1 Å²	1	22.6 Å²	22.6	1%	0.007	11%	0.108	C	C	.	.	H	α-helix	trans	-56.2	-40.6	174.2	-51	0	0	0	0	111.5	F458 I459	F458-S462 PolarHBondContact O-N 2.61Å; F458-S462 PolarHBondContact O-OG 3.04Å; I459-S462 PolarHBondContact O-N 3.06Å
463	L	95.1	Very high	93.3	Very high	3 Å²	3	25 Å²	25	2%	0.016	12%	0.118	C	C	.	.	H	α-helix	trans	-65	-53.6	173.9	177.2	62.2	0	0	0	112.5	A267 V271 L295 H299 I301 I459 V460 W461 R465 K466 M467	A267-L463 HydrophobicContact CB-CD2 4.04Å; V271-L463 HydrophobicContact CG1-CD2 4.19Å; V271-L463 HydrophobicContact CG2-CD2 3.75Å; L295-L463 HydrophobicContact CD1-CB 4.09Å; L295-L463 HydrophobicContact CD1-CD1 4.22Å; H299-L463 HydrophobicContact CB-CD1 4.29Å; I301-L463 HydrophobicContact CD1-CB 4.24Å; I301-L463 HydrophobicContact CD1-CD1 3.57Å; I459-L463 PolarHBondContact O-N 3.37Å; I459-L463 VanDerWaalsContact O-N 3.13Å; V460-L463 WeakPolarHBondContact O-CB 3.5Å; V460-L463 PolarHBondContact O-N 3.01Å; W461-L463 PolarHBondContact O-N 2.86Å; L463-R465 PolarHBondContact O-N 3.4Å; L463-K466 PolarHBondContact O-N 3.39Å; L463-M467 HydrophobicContact CD1-SD 4.3Å; L463-M467 HydrophobicContact CG-SD 4.43Å; L463-M467 PolarHBondContact O-N 3.13Å
464	A	95	Very high	93.5	Very high	1 Å²	1	24.7 Å²	24.7	1%	0.008	12%	0.118	C	C	.	.	H	α-helix	trans	-61	-44.1	-176.5	0	0	0	0	0	112	L264 F355 V460 W461 K466 M467 L468	L264-A464 HydrophobicContact CD2-CB 4.26Å; F355-A464 HydrophobicContact CE1-CB 4.04Å; F355-A464 HydrophobicContact CE2-CB 3.75Å; F355-A464 HydrophobicContact CZ-CB 3.37Å; V460-A464 WeakPolarHBondContact O-CB 3.32Å; V460-A464 PolarHBondContact O-N 3.43Å; W461-A464 HydrophobicContact CE3-CB 4.37Å; W461-A464 PolarHBondContact O-N 3.43Å; A464-K466 VanDerWaalsContact C-N 3.27Å; A464-K466 PolarHBondContact O-N 3.09Å; A464-M467 WeakPolarHBondContact O-CA 3.31Å; A464-M467 WeakPolarHBondContact O-CB 3.49Å; A464-M467 PolarHBondContact O-N 2.99Å; A464-L468 WeakPolarHBondContact O-CG 3.46Å; A464-L468 PolarHBondContact O-N 3.2Å
465	R	94.6	Very high	93.5	Very high	59 Å²	59	23.2 Å²	23.2	22%	0.223	11%	0.109	C	C	.	.	H	α-helix	trans	-56.8	-38	-179.4	-177.3	173	58	119.9	0.2	112.8	L328 G329 W461 L463 M467	L328-R465 PolarHBondContact O-NH1 3.23Å; L328-R465 PolarHBondContact O-NH2 3.01Å; G329-R465 PolarHBondContact O-NH1 2.88Å; W461-R465 HydrophobicContact CD2-CB 4.36Å; W461-R465 HydrophobicContact CH2-CB 4.33Å; W461-R465 HydrophobicContact CZ2-CB 4.08Å; W461-R465 HydrophobicContact CZ2-CG 4.13Å; W461-R465 WeakPolarHBondContact O-CB 3.24Å; W461-R465 PolarHBondContact O-N 3.45Å; L463-R465 PolarHBondContact O-N 3.4Å; R465-M467 VanDerWaalsContact C-N 3.31Å
466	K	92.9	Very high	93.4	Very high	78 Å²	78	24.1 Å²	24.1	34%	0.339	11%	0.112	S	C	.	.	H	α-helix	trans	-71.3	-25.9	176.2	-165	169.9	-173.7	177.6	0	112.9	H299 G300 I301 L463 A464	H299-K466 PolarHBondContact O-NZ 3.19Å; G300-K466 PolarHBondContact O-NZ 3.12Å; I301-K466 HydrophobicContact CD1-CB 3.99Å; I301-K466 HydrophobicContact CD1-CD 3.73Å; I301-K466 HydrophobicContact CD1-CG 4.47Å; I301-K466 HydrophobicContact CG1-CD 3.58Å; L463-K466 PolarHBondContact O-N 3.39Å; A464-K466 VanDerWaalsContact C-N 3.27Å; A464-K466 PolarHBondContact O-N 3.09Å
467	M	93.7	Very high	93.3	Very high	17 Å²	17	26.3 Å²	26.3	8%	0.084	13%	0.126	C	C	.	.	H	α-helix	trans	-85	-31	178.3	-64.5	179.5	73.4	0	0	112.9	L264 A267 L463 A464 R465 P469 H470 L471 V611 L614	L264-M467 HydrophobicContact CD2-CB 4.3Å; L264-M467 HydrophobicContact CD2-CE 4.42Å; L264-M467 HydrophobicContact CD2-SD 4.02Å; A267-M467 HydrophobicContact CB-CE 3.98Å; A267-M467 HydrophobicContact CB-SD 3.64Å; L463-M467 HydrophobicContact CD1-SD 4.3Å; L463-M467 HydrophobicContact CG-SD 4.43Å; L463-M467 PolarHBondContact O-N 3.13Å; A464-M467 WeakPolarHBondContact O-CA 3.31Å; A464-M467 WeakPolarHBondContact O-CB 3.49Å; A464-M467 PolarHBondContact O-N 2.99Å; R465-M467 VanDerWaalsContact C-N 3.31Å; M467-P469 VanDerWaalsContact C-CD 3.42Å; M467-P469 VanDerWaalsContact O-N 3.16Å; M467-H470 WeakPolarHBondContact O-CB 3.4Å; M467-H470 PolarHBondContact O-N 3.26Å; M467-L471 HydrophobicContact CB-CD1 4.16Å; M467-L471 HydrophobicContact CB-CG 4.46Å; M467-L471 WeakPolarHBondContact O-CG 3.45Å; M467-V611 HydrophobicContact CB-CG2 3.93Å; M467-V611 HydrophobicContact CE-CG1 4.27Å; M467-V611 HydrophobicContact CE-CG2 3.5Å; M467-V611 HydrophobicContact CG-CG2 3.96Å; M467-L614 HydrophobicContact CG-CD1 4.23Å
468	L	93.1	Very high	93.3	Very high	3 Å²	3	27 Å²	27	2%	0.016	13%	0.129	C	C	.	.	G	3₁₀ helix	trans	-45.7	-47	-173.3	-71.9	179.4	0	0	0	115.3	L351 F355 W461 A464 H470 L471 Y475 R476	L351-L468 HydrophobicContact CD1-CD1 4.06Å; F355-L468 HydrophobicContact CD2-CD2 3.9Å; F355-L468 HydrophobicContact CE2-CD2 4.3Å; W461-L468 HydrophobicContact CH2-CD1 3.97Å; W461-L468 HydrophobicContact CZ3-CD1 4.2Å; A464-L468 WeakPolarHBondContact O-CG 3.46Å; A464-L468 PolarHBondContact O-N 3.2Å; L468-H470 PolarHBondContact O-N 2.86Å; L468-L471 PolarHBondContact O-N 3.35Å; L468-Y475 HydrophobicContact CD2-CD1 3.51Å; L468-Y475 HydrophobicContact CD2-CE1 4.46Å; L468-Y475 HydrophobicContact CD2-CG 4.12Å; L468-R476 WeakPolarHBondContact O-CG 3.25Å
469	P	90.4	Very high	93.1	Very high	61 Å²	61	28.1 Å²	28.1	40%	0.396	14%	0.138	S	C	.	.	G	3₁₀ helix	trans	-66.2	-10.8	-177.6	-20.8	35.1	0	0	0	114.3	M467 R476	M467-P469 VanDerWaalsContact C-CD 3.42Å; M467-P469 VanDerWaalsContact O-N 3.16Å; P469-R476 VanDerWaalsContact O-CD 3.31Å; P469-R476 WeakPolarHBondContact O-CD 3.46Å
470	H	90.6	Very high	92.8	Very high	35 Å²	35	30.6 Å²	30.6	16%	0.162	15%	0.15	C	C	.	.	G	3₁₀ helix	trans	-117.3	8.6	-169.8	-55.1	-51.7	0	0	0	113.1	M467 L468 F610 V611	M467-H470 WeakPolarHBondContact O-CB 3.4Å; M467-H470 PolarHBondContact O-N 3.26Å; L468-H470 PolarHBondContact O-N 2.86Å; H470-F610 HydrophobicContact CB-CD1 3.99Å; H470-F610 HydrophobicContact CB-CE1 4.27Å; H470-F610 AromaticContact CE1-CE1 3.93Å; H470-F610 AromaticContact CG-CE1 3.89Å; H470-F610 AromaticContact ND1-CD1 3.89Å; H470-F610 AromaticContact ND1-CE1 3.35Å; H470-F610 VanDerWaalsContact ND1-CE1 3.35Å; H470-F610 WeakPolarHBondContact ND1-CE1 3.27Å; H470-V611 HydrophobicContact CB-CB 4.15Å; H470-V611 HydrophobicContact CB-CG2 4.05Å
471	L	92.4	Very high	92.6	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	18%	0.175	C	C	.	.	S	Bend	trans	-103.8	-169.5	179.6	-67	174.4	0	0	0	111.7	L264 M467 L468 Y475 R476 V611	L264-L471 HydrophobicContact CD1-CD1 3.6Å; L264-L471 HydrophobicContact CD2-CD1 3.91Å; L264-L471 HydrophobicContact CG-CD1 3.65Å; M467-L471 HydrophobicContact CB-CD1 4.16Å; M467-L471 HydrophobicContact CB-CG 4.46Å; M467-L471 WeakPolarHBondContact O-CG 3.45Å; L468-L471 PolarHBondContact O-N 3.35Å; L471-Y475 HydrophobicContact CB-CD2 4.15Å; L471-Y475 HydrophobicContact CB-CG 4.24Å; L471-Y475 HydrophobicContact CD1-CD2 4.24Å; L471-Y475 HydrophobicContact CD1-CG 4.11Å; L471-R476 WeakPolarHBondContact O-CD 3.21Å; L471-R476 PolarHBondContact O-NE 2.68Å; L471-V611 HydrophobicContact CD2-CB 4.24Å; L471-V611 HydrophobicContact CD2-CG1 4.13Å; L471-V611 HydrophobicContact CD2-CG2 4.07Å
472	S	93	Very high	92.4	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	18%	0.179	C	C	.	.			trans	-57.3	164.4	177.4	73.3	0	0	0	0	112.4	L255 S260 E474 Y475 R476	L255-S472 WeakPolarHBondContact O-CA 3.25Å; L255-S472 WeakPolarHBondContact O-CB 3.45Å; S260-S472 VanDerWaalsContact OG-CB 3.22Å; S260-S472 WeakPolarHBondContact OG-CB 3.48Å; S260-S472 PolarHBondContact OG-N 2.86Å; S260-S472 PolarHBondContact OG-OG 2.83Å; S472-E474 WeakPolarHBondContact CB-OE2 3.38Å; S472-E474 PolarHBondContact O-N 3.13Å; S472-E474 PolarHBondContact OG-OE2 3.41Å; S472-Y475 PolarHBondContact O-N 3.37Å; S472-R476 PolarHBondContact O-N 3.42Å; S472-R476 VanDerWaalsContact O-N 3.09Å
473	K	91.3	Very high	92	Very high	142 Å²	142	36.8 Å²	36.8	62%	0.617	19%	0.185	S	C	*	.	H	α-helix	trans	-53.5	-39.4	-179.2	-172.6	173.8	-179.5	174.7	0	112.2	Y475 R476 T477	K473-Y475 VanDerWaalsContact C-N 3.27Å; K473-Y475 PolarHBondContact O-N 3.4Å; K473-R476 PolarHBondContact O-N 2.96Å; K473-T477 HydrophobicContact CG-CG2 4.09Å; K473-T477 WeakPolarHBondContact O-CB 3.35Å; K473-T477 WeakPolarHBondContact O-CG2 3.02Å; K473-T477 PolarHBondContact O-N 3.48Å; K473-T477 PolarHBondContact O-OG1 3Å; K473-T477 VanDerWaalsContact O-OG1 3.07Å
474	E	92.6	Very high	91.5	Very high	80 Å²	80	40.5 Å²	40.5	37%	0.374	20%	0.202	S	C	.	.	H	α-helix	trans	-63.5	-28.2	-179.1	-58.9	81.3	179	0	0	114	K257 N358 S472 T477 L478	K257-E474 HydrophobicContact CD-CB 4.48Å; K257-E474 HydrophobicContact CD-CG 4.28Å; N358-E474 PolarHBondContact ND2-O 3.44Å; N358-E474 VanDerWaalsContact ND2-O 3.08Å; S472-E474 WeakPolarHBondContact CB-OE2 3.38Å; S472-E474 PolarHBondContact O-N 3.13Å; S472-E474 PolarHBondContact OG-OE2 3.41Å; E474-T477 PolarHBondContact O-OG1 2.7Å; E474-L478 WeakPolarHBondContact O-CG 3.18Å
475	Y	94	Very high	91.1	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-86.5	-40.4	175	-77	-72.9	0	0	0	111.5	K257 D261 L264 F355 N358 M359 L468 L471 S472 K473 T477 L478	K257-Y475 HydrophobicContact CG-CE2 4.49Å; D261-Y475 WeakPolarHBondContact OD1-CE2 3.45Å; D261-Y475 PolarHBondContact OD1-OH 3.06Å; L264-Y475 HydrophobicContact CD1-CD1 4.21Å; L264-Y475 HydrophobicContact CD1-CE1 3.61Å; L264-Y475 HydrophobicContact CD1-CE2 3.99Å; L264-Y475 VanDerWaalsContact CD1-CZ 3.49Å; F355-Y475 HydrophobicContact CD2-CD1 4.2Å; F355-Y475 AromaticContact CD2-CE1 3.92Å; F355-Y475 HydrophobicContact CD2-CE1 3.92Å; F355-Y475 HydrophobicContact CE2-CE1 4.06Å; N358-Y475 HydrophobicContact CB-CE1 3.84Å; M359-Y475 PolarHBondContact SD-OH 3.05Å; M359-Y475 VanDerWaalsContact SD-OH 3.32Å; L468-Y475 HydrophobicContact CD2-CD1 3.51Å; L468-Y475 HydrophobicContact CD2-CE1 4.46Å; L468-Y475 HydrophobicContact CD2-CG 4.12Å; L471-Y475 HydrophobicContact CB-CD2 4.15Å; L471-Y475 HydrophobicContact CB-CG 4.24Å; L471-Y475 HydrophobicContact CD1-CD2 4.24Å; L471-Y475 HydrophobicContact CD1-CG 4.11Å; S472-Y475 PolarHBondContact O-N 3.37Å; K473-Y475 VanDerWaalsContact C-N 3.27Å; K473-Y475 PolarHBondContact O-N 3.4Å; Y475-T477 VanDerWaalsContact C-N 3.34Å; Y475-T477 PolarHBondContact O-N 2.82Å; Y475-L478 HydrophobicContact CD1-CD1 4.5Å; Y475-L478 WeakPolarHBondContact O-CB 3.48Å; Y475-L478 PolarHBondContact O-N 3.32Å
476	R	91.5	Very high	90.6	Very high	21 Å²	21	38.7 Å²	38.7	8%	0.079	20%	0.199	C	C	.	.	H	α-helix	trans	-63.1	-39.7	177.7	-71.5	-174.3	-69.8	132.3	-10.9	112.3	D253 L468 P469 L471 S472 K473 L478 A479 E480	D253-R476 IonicContact OD1-CZ 3.68Å; D253-R476 VanDerWaalsContact OD1-CZ 3.23Å; D253-R476 IonicContact OD1-NH1 3.86Å; D253-R476 PolarHBondContact OD1-NH1 3.06Å; D253-R476 VanDerWaalsContact OD1-NH1 3.15Å; D253-R476 IonicContact OD1-NH2 2.87Å; D253-R476 PolarHBondContact OD1-NH2 3.34Å; L468-R476 WeakPolarHBondContact O-CG 3.25Å; P469-R476 VanDerWaalsContact O-CD 3.31Å; P469-R476 WeakPolarHBondContact O-CD 3.46Å; L471-R476 WeakPolarHBondContact O-CD 3.21Å; L471-R476 PolarHBondContact O-NE 2.68Å; S472-R476 PolarHBondContact O-N 3.42Å; S472-R476 VanDerWaalsContact O-N 3.09Å; K473-R476 PolarHBondContact O-N 2.96Å; R476-L478 PolarHBondContact O-N 3.04Å; R476-A479 PolarHBondContact O-N 2.91Å; R476-A479 VanDerWaalsContact O-N 3.09Å; R476-E480 WeakPolarHBondContact O-CG 3.5Å; R476-E480 PolarHBondContact O-N 3.48Å
477	T	91.8	Very high	90.2	Very high	47 Å²	47	35.9 Å²	35.9	29%	0.288	19%	0.186	S	C	.	.	H	α-helix	trans	-61.1	-27.6	177.1	52.1	0	0	0	0	112.7	K473 E474 Y475 T481	K473-T477 HydrophobicContact CG-CG2 4.09Å; K473-T477 WeakPolarHBondContact O-CB 3.35Å; K473-T477 WeakPolarHBondContact O-CG2 3.02Å; K473-T477 PolarHBondContact O-N 3.48Å; K473-T477 PolarHBondContact O-OG1 3Å; K473-T477 VanDerWaalsContact O-OG1 3.07Å; E474-T477 PolarHBondContact O-OG1 2.7Å; Y475-T477 VanDerWaalsContact C-N 3.34Å; Y475-T477 PolarHBondContact O-N 2.82Å; T477-T481 WeakPolarHBondContact O-CB 3.1Å; T477-T481 PolarHBondContact O-N 3.03Å; T477-T481 PolarHBondContact O-OG1 3Å
478	L	93.9	Very high	89.6	Confident	18 Å²	18	35.1 Å²	35.1	9%	0.094	18%	0.182	C	C	.	.	H	α-helix	trans	-65.6	-48.1	173.9	-53.8	-174.4	0	0	0	111	L351 D354 F355 E474 Y475 R476 E480 T481 F482	L351-L478 HydrophobicContact CD1-CB 3.64Å; D354-L478 HydrophobicContact CB-CD1 4.32Å; D354-L478 HydrophobicContact CB-CD2 3.63Å; F355-L478 HydrophobicContact CB-CD1 4.08Å; E474-L478 WeakPolarHBondContact O-CG 3.18Å; Y475-L478 HydrophobicContact CD1-CD1 4.5Å; Y475-L478 WeakPolarHBondContact O-CB 3.48Å; Y475-L478 PolarHBondContact O-N 3.32Å; R476-L478 PolarHBondContact O-N 3.04Å; L478-E480 VanDerWaalsContact C-N 3.34Å; L478-T481 PolarHBondContact O-N 3.35Å; L478-F482 PolarHBondContact O-N 3.43Å
479	A	90.6	Very high	88.8	Confident	23 Å²	23	35.7 Å²	35.7	19%	0.19	18%	0.184	C	C	.	.	H	α-helix	trans	-63.9	-40.3	176.9	0	0	0	0	0	111.3	R476 F482 D483	R476-A479 PolarHBondContact O-N 2.91Å; R476-A479 VanDerWaalsContact O-N 3.09Å; A479-F482 PolarHBondContact O-N 2.68Å; A479-D483 WeakPolarHBondContact O-CB 3.38Å; A479-D483 PolarHBondContact O-N 2.97Å
480	E	88.1	Confident	87.9	Confident	52 Å²	52	36.9 Å²	36.9	24%	0.243	19%	0.191	C	C	.	.	H	α-helix	trans	-63.9	-39.2	175.4	-69.2	172.9	-170.2	0	0	112.3	R476 L478 D483 H484 S492	R476-E480 WeakPolarHBondContact O-CG 3.5Å; R476-E480 PolarHBondContact O-N 3.48Å; L478-E480 VanDerWaalsContact C-N 3.34Å; E480-D483 PolarHBondContact O-N 2.93Å; E480-H484 PolarHBondContact O-N 3.36Å; E480-S492 VanDerWaalsContact CD-OG 3.29Å; E480-S492 PolarHBondContact OE2-OG 3.16Å
481	T	89.9	Confident	87.3	Confident	88 Å²	88	36.8 Å²	36.8	54%	0.54	20%	0.196	S	C	.	.	H	α-helix	trans	-65.7	-41.8	176.8	-58.7	0	0	0	0	111.3	T477 L478 H484 A485	T477-T481 WeakPolarHBondContact O-CB 3.1Å; T477-T481 PolarHBondContact O-N 3.03Å; T477-T481 PolarHBondContact O-OG1 3Å; L478-T481 PolarHBondContact O-N 3.35Å; T481-H484 PolarHBondContact O-N 3.22Å; T481-A485 PolarHBondContact O-N 3.47Å; T481-A485 VanDerWaalsContact O-N 3.09Å
482	F	90.9	Very high	86.7	Confident	20 Å²	20	39.7 Å²	39.7	9%	0.088	22%	0.216	C	C	.	.	H	α-helix	trans	-65	-42.7	173.6	176.7	-118.3	0	0	0	111.8	L330 Y348 L351 L478 A479 H484 A485 L486	L330-F482 HydrophobicContact CD2-CE2 4.2Å; L330-F482 HydrophobicContact CD2-CZ 3.76Å; Y348-F482 HydrophobicContact CD2-CE2 4.35Å; Y348-F482 HydrophobicContact CD2-CZ 4.25Å; Y348-F482 HydrophobicContact CG-CE2 4.48Å; L351-F482 HydrophobicContact CB-CB 4.18Å; L351-F482 HydrophobicContact CB-CG 4.48Å; L351-F482 HydrophobicContact CD2-CB 3.96Å; L351-F482 HydrophobicContact CD2-CD1 3.91Å; L351-F482 HydrophobicContact CD2-CG 3.89Å; L351-F482 HydrophobicContact CG-CB 4.49Å; L478-F482 PolarHBondContact O-N 3.43Å; A479-F482 PolarHBondContact O-N 2.68Å; F482-H484 VanDerWaalsContact C-N 3.25Å; F482-H484 PolarHBondContact O-N 3.43Å; F482-A485 WeakPolarHBondContact O-CA 3.32Å; F482-A485 WeakPolarHBondContact O-CB 3.34Å; F482-A485 PolarHBondContact O-N 3.2Å; F482-L486 HydrophobicContact CE1-CD2 4.32Å; F482-L486 HydrophobicContact CZ-CD2 4.31Å; F482-L486 PolarHBondContact O-N 3.06Å
483	D	87.5	Confident	86.1	Confident	24 Å²	24	42.3 Å²	42.3	13%	0.128	23%	0.226	C	C	.	.	H	α-helix	trans	-61.3	-32.5	174.8	-91.4	4.4	0	0	0	112.4	R206 A479 E480 Y487 R489	R206-D483 IonicContact CZ-OD2 2.68Å; R206-D483 IonicContact NE-OD2 3.61Å; R206-D483 IonicContact NH2-OD1 3.23Å; R206-D483 IonicContact NH2-OD2 2.68Å; R206-D483 PolarHBondContact NH2-OD2 3.28Å; A479-D483 WeakPolarHBondContact O-CB 3.38Å; A479-D483 PolarHBondContact O-N 2.97Å; E480-D483 PolarHBondContact O-N 2.93Å; D483-Y487 HydrophobicContact CB-CD2 4.22Å; D483-Y487 WeakPolarHBondContact O-CA 3.46Å; D483-Y487 WeakPolarHBondContact O-CB 3.26Å; D483-Y487 WeakPolarHBondContact O-CD2 3.4Å; D483-Y487 PolarHBondContact O-N 2.79Å; D483-R489 VanDerWaalsContact CG-NH2 3.29Å; D483-R489 IonicContact OD2-CZ 3.85Å; D483-R489 IonicContact OD2-NH1 2.7Å; D483-R489 PolarHBondContact OD2-NH1 2.8Å; D483-R489 IonicContact OD2-NH2 2.76Å; D483-R489 PolarHBondContact OD2-NH2 2.92Å
484	H	84.3	Confident	85.9	Confident	82 Å²	82	37 Å²	37	38%	0.38	21%	0.207	S	C	.	.	H	α-helix	trans	-67.3	-42.5	170.9	170.5	-83.9	0	0	0	111.4	E480 T481 F482 L486 G488 R489 K828	E480-H484 PolarHBondContact O-N 3.36Å; T481-H484 PolarHBondContact O-N 3.22Å; F482-H484 VanDerWaalsContact C-N 3.25Å; F482-H484 PolarHBondContact O-N 3.43Å; H484-L486 VanDerWaalsContact C-N 3.33Å; H484-L486 PolarHBondContact O-N 2.93Å; H484-G488 VanDerWaalsContact O-CA 3.22Å; H484-G488 WeakPolarHBondContact O-CA 3.23Å; H484-G488 PolarHBondContact O-N 3.47Å; H484-R489 WeakPolarHBondContact CB-O 3.39Å; H484-R489 PolarHBondContact CD2-O 3.09Å; H484-K828 PolarHBondContact O-NZ 3.42Å
485	A	85.1	Confident	85.7	Confident	15 Å²	15	34.8 Å²	34.8	12%	0.124	20%	0.195	C	C	.	.	H	α-helix	trans	-59.9	-44.6	175.9	0	0	0	0	0	111.1	T481 F482 K828	T481-A485 PolarHBondContact O-N 3.47Å; T481-A485 VanDerWaalsContact O-N 3.09Å; F482-A485 WeakPolarHBondContact O-CA 3.32Å; F482-A485 WeakPolarHBondContact O-CB 3.34Å; F482-A485 PolarHBondContact O-N 3.2Å; A485-K828 PolarHBondContact O-NZ 3.17Å
486	L	85.9	Confident	85.5	Confident	6 Å²	6	36.8 Å²	36.8	3%	0.031	20%	0.202	C	C	.	.	H	α-helix	trans	-76.7	-52.2	-177.9	-176.1	61.8	0	0	0	113.6	P331 F335 V344 F482 H484 I833 V837	P331-L486 HydrophobicContact CG-CD2 3.57Å; F335-L486 HydrophobicContact CZ-CD1 4.27Å; V344-L486 HydrophobicContact CG1-CD1 3.79Å; V344-L486 HydrophobicContact CG2-CD1 3.89Å; F482-L486 HydrophobicContact CE1-CD2 4.32Å; F482-L486 HydrophobicContact CZ-CD2 4.31Å; F482-L486 PolarHBondContact O-N 3.06Å; H484-L486 VanDerWaalsContact C-N 3.33Å; H484-L486 PolarHBondContact O-N 2.93Å; L486-I833 HydrophobicContact CD1-CD1 3.65Å; L486-I833 HydrophobicContact CG-CD1 4.33Å; L486-I833 WeakPolarHBondContact O-CD1 3.44Å; L486-V837 HydrophobicContact CD1-CG1 4.48Å
487	Y	84.3	Confident	85.5	Confident	20 Å²	20	36 Å²	36	8%	0.078	20%	0.2	C	C	.	.	H	α-helix	trans	-105.2	-1.9	-169.7	-58.2	-73.2	0	0	0	114.2	R206 G207 D483 R489 Y830 V837	R206-Y487 HydrophobicContact CB-CD1 3.87Å; R206-Y487 HydrophobicContact CB-CD2 4.5Å; R206-Y487 HydrophobicContact CB-CE1 4.39Å; R206-Y487 HydrophobicContact CB-CG 3.95Å; R206-Y487 HydrophobicContact CG-CD1 4.08Å; R206-Y487 HydrophobicContact CG-CD2 3.86Å; R206-Y487 HydrophobicContact CG-CE1 4.44Å; R206-Y487 HydrophobicContact CG-CE2 4.21Å; R206-Y487 HydrophobicContact CG-CG 3.8Å; G207-Y487 WeakPolarHBondContact CA-O 3.39Å; G207-Y487 PolarHBondContact N-O 3Å; G207-Y487 VanDerWaalsContact N-O 3.1Å; D483-Y487 HydrophobicContact CB-CD2 4.22Å; D483-Y487 WeakPolarHBondContact O-CA 3.46Å; D483-Y487 WeakPolarHBondContact O-CB 3.26Å; D483-Y487 WeakPolarHBondContact O-CD2 3.4Å; D483-Y487 PolarHBondContact O-N 2.79Å; Y487-R489 PolarHBondContact O-N 2.97Å; Y487-Y830 HydrophobicContact CD1-CD2 4.01Å; Y487-Y830 AromaticContact CD1-CE2 3.42Å; Y487-Y830 HydrophobicContact CD1-CE2 3.42Å; Y487-Y830 VanDerWaalsContact CD1-CE2 3.42Å; Y487-Y830 AromaticContact CE1-CE2 3.86Å; Y487-Y830 HydrophobicContact CE1-CE2 3.86Å; Y487-V837 HydrophobicContact CE1-CG2 4.22Å
488	G	80.8	Confident	85.4	Confident	0 Å²	0	36 Å²	36	0%	0	20%	0.197	C	C	.	.			trans	67.5	13.3	-176.5	0	0	0	0	0	115.4	H484 T490 K828	H484-G488 VanDerWaalsContact O-CA 3.22Å; H484-G488 WeakPolarHBondContact O-CA 3.23Å; H484-G488 PolarHBondContact O-N 3.47Å; G488-T490 PolarHBondContact O-N 2.87Å; G488-K828 VanDerWaalsContact CA-CD 3.45Å
489	R	75.9	Confident	85.4	Confident	16 Å²	16	35.1 Å²	35.1	6%	0.06	19%	0.193	C	C	.	.			trans	-67.9	122.5	-177	-172.7	-166.2	-47.4	131.5	14.4	111.7	V203 I204 D483 H484 Y487 A491	V203-R489 WeakPolarHBondContact O-CG 3.5Å; I204-R489 VanDerWaalsContact O-CD 3.27Å; I204-R489 WeakPolarHBondContact O-CD 3.49Å; I204-R489 PolarHBondContact O-NE 3.31Å; D483-R489 VanDerWaalsContact CG-NH2 3.29Å; D483-R489 IonicContact OD2-CZ 3.85Å; D483-R489 IonicContact OD2-NH1 2.7Å; D483-R489 PolarHBondContact OD2-NH1 2.8Å; D483-R489 IonicContact OD2-NH2 2.76Å; D483-R489 PolarHBondContact OD2-NH2 2.92Å; H484-R489 WeakPolarHBondContact CB-O 3.39Å; H484-R489 PolarHBondContact CD2-O 3.09Å; Y487-R489 PolarHBondContact O-N 2.97Å; R489-A491 WeakPolarHBondContact CD-O 3.27Å; R489-A491 VanDerWaalsContact CG-O 3.24Å; R489-A491 WeakPolarHBondContact CG-O 3.49Å
490	T	71.7	Confident	85.6	Confident	86 Å²	86	34 Å²	34	53%	0.528	18%	0.184	S	C	.	.			trans	-97	-6.3	-175.5	56.3	0	0	0	0	114.9	V203 G488	V203-T490 WeakPolarHBondContact CB-OG1 3.33Å; V203-T490 WeakPolarHBondContact CG1-OG1 3.49Å; G488-T490 PolarHBondContact O-N 2.87Å
491	A	77.8	Confident	85.9	Confident	33 Å²	33	35.2 Å²	35.2	27%	0.273	19%	0.188	S	C	.	.	S	Bend	trans	-140.7	155	176.9	0	0	0	0	0	113.4	V203 I204 R489	V203-A491 HydrophobicContact CB-CB 3.68Å; V203-A491 HydrophobicContact CG2-CB 3.33Å; V203-A491 PolarHBondContact O-N 3.2Å; I204-A491 HydrophobicContact CG1-CB 4.26Å; R489-A491 WeakPolarHBondContact CD-O 3.27Å; R489-A491 VanDerWaalsContact CG-O 3.24Å; R489-A491 WeakPolarHBondContact CG-O 3.49Å
492	S	79.1	Confident	86	Confident	60 Å²	60	31.6 Å²	31.6	42%	0.42	17%	0.166	S	C	.	.	P	Polyproline II helix	trans	-82.4	151.5	177.8	-44.1	0	0	0	0	111.3	E480	E480-S492 VanDerWaalsContact CD-OG 3.29Å; E480-S492 PolarHBondContact OE2-OG 3.16Å
493	Y	81	Confident	86.2	Confident	55 Å²	55	30.6 Å²	30.6	22%	0.216	16%	0.162	C	C	.	.	P	Polyproline II helix	trans	-66.3	138.9	175.1	-74.6	-97.7	0	0	0	111.4	I204 K205 L497 I498	I204-Y493 VanDerWaalsContact CG2-CA 3.43Å; I204-Y493 HydrophobicContact CG2-CD1 3.2Å; I204-Y493 HydrophobicContact CG2-CD2 3.83Å; I204-Y493 HydrophobicContact CG2-CE1 3.56Å; I204-Y493 HydrophobicContact CG2-CE2 4.16Å; I204-Y493 HydrophobicContact CG2-CG 3.33Å; I204-Y493 WeakPolarHBondContact O-CE2 3.24Å; I204-Y493 PolarHBondContact O-OH 3.05Å; K205-Y493 WeakPolarHBondContact CA-OH 3.4Å; K205-Y493 HydrophobicContact CD-CE1 4.22Å; K205-Y493 WeakPolarHBondContact CD-OH 3.33Å; Y493-L497 HydrophobicContact CD1-CD2 3.59Å; Y493-L497 HydrophobicContact CD1-CG 4.04Å; Y493-L497 HydrophobicContact CE1-CD2 4.08Å; Y493-I498 VanDerWaalsContact CB-CG1 3.46Å; Y493-I498 HydrophobicContact CG-CG1 4.36Å
494	P	87	Confident	86.4	Confident	32 Å²	32	30.9 Å²	30.9	21%	0.208	16%	0.161	C	C	.	.	P	Polyproline II helix	trans	-63.3	144.5	171.5	32.5	-38.1	0	0	0	108.7	Y201 W496 L497 I498	Y201-P494 HydrophobicContact CD1-CG 3.91Å; Y201-P494 HydrophobicContact CE1-CB 4.3Å; Y201-P494 HydrophobicContact CE1-CG 3.74Å; P494-W496 VanDerWaalsContact C-N 3.28Å; P494-W496 HydrophobicContact CG-CZ2 4.35Å; P494-W496 PolarHBondContact O-N 3.32Å; P494-L497 HydrophobicContact CG-CB 3.65Å; P494-L497 HydrophobicContact CG-CD2 4.19Å; P494-L497 WeakPolarHBondContact O-CB 3.03Å; P494-L497 PolarHBondContact O-N 2.89Å; P494-I498 PolarHBondContact O-N 3.35Å
495	R	87.8	Confident	86.8	Confident	32 Å²	32	29.7 Å²	29.7	12%	0.121	16%	0.157	C	C	.	.	H	α-helix	trans	-56.6	-40.8	-174.9	-72	-53.1	-58.9	172.1	4.8	113.5	C249 T252 D253 L497 I498 C499	C249-R495 PolarHBondContact O-NH2 2.74Å; C249-R495 PolarHBondContact SG-NH2 3.22Å; C249-R495 VanDerWaalsContact SG-NH2 3.37Å; T252-R495 PolarHBondContact OG1-NH2 2.69Å; D253-R495 WeakPolarHBondContact OD1-CD 3.07Å; D253-R495 IonicContact OD1-NE 2.8Å; D253-R495 VanDerWaalsContact OD2-CD 3.27Å; D253-R495 WeakPolarHBondContact OD2-CD 3.32Å; D253-R495 WeakPolarHBondContact OD2-CG 3.36Å; R495-L497 PolarHBondContact O-N 3.13Å; R495-I498 PolarHBondContact O-N 3.13Å; R495-C499 WeakPolarHBondContact O-CB 3.24Å; R495-C499 PolarHBondContact O-N 2.73Å; R495-C499 PolarHBondContact O-SG 2.87Å
496	W	90.9	Very high	87.1	Confident	43 Å²	43	30.5 Å²	30.5	16%	0.163	16%	0.157	C	C	.	.	H	α-helix	trans	-57.8	-37.3	179.1	72.9	-101.9	0	0	0	111.4	Y201 Y217 N221 N224 P494 C499 S500	Y201-W496 HydrophobicContact CE1-CZ2 4.28Å; Y217-W496 HydrophobicContact CD2-CH2 4.18Å; Y217-W496 AromaticContact CE2-CH2 3.57Å; Y217-W496 HydrophobicContact CE2-CH2 3.57Å; Y217-W496 AromaticContact CE2-CZ2 3.67Å; Y217-W496 HydrophobicContact CE2-CZ2 3.67Å; Y217-W496 AromaticContact CZ-CH2 3.99Å; N221-W496 HydrophobicContact CB-CH2 3.99Å; N221-W496 HydrophobicContact CB-CZ3 4.12Å; N224-W496 HydrophobicContact CB-CE3 3.9Å; N224-W496 HydrophobicContact CB-CZ3 4.28Å; P494-W496 VanDerWaalsContact C-N 3.28Å; P494-W496 HydrophobicContact CG-CZ2 4.35Å; P494-W496 PolarHBondContact O-N 3.32Å; W496-C499 PolarHBondContact O-N 2.75Å; W496-S500 WeakPolarHBondContact O-CB 3.35Å; W496-S500 PolarHBondContact O-N 2.6Å; W496-S500 PolarHBondContact O-OG 2.85Å
497	L	91	Very high	87.4	Confident	4 Å²	4	30.2 Å²	30.2	2%	0.021	16%	0.156	C	C	.	.	H	α-helix	trans	-73.3	-43.4	-178	-175.7	56.9	0	0	0	111	Y217 L220 Y493 P494 R495 C499 K501	Y217-L497 HydrophobicContact CD2-CD1 4.33Å; Y217-L497 HydrophobicContact CD2-CD2 4.05Å; Y217-L497 HydrophobicContact CE2-CD2 4.41Å; L220-L497 HydrophobicContact CB-CD1 3.59Å; L220-L497 HydrophobicContact CD1-CD1 3.47Å; L220-L497 VanDerWaalsContact CD1-CD1 3.47Å; L220-L497 HydrophobicContact CD1-CG 4.46Å; L220-L497 HydrophobicContact CG-CD1 4.18Å; Y493-L497 HydrophobicContact CD1-CD2 3.59Å; Y493-L497 HydrophobicContact CD1-CG 4.04Å; Y493-L497 HydrophobicContact CE1-CD2 4.08Å; P494-L497 HydrophobicContact CG-CB 3.65Å; P494-L497 HydrophobicContact CG-CD2 4.19Å; P494-L497 WeakPolarHBondContact O-CB 3.03Å; P494-L497 PolarHBondContact O-N 2.89Å; R495-L497 PolarHBondContact O-N 3.13Å; L497-C499 VanDerWaalsContact C-N 3.34Å; L497-C499 PolarHBondContact O-N 3.35Å; L497-K501 WeakPolarHBondContact O-CB 3.47Å; L497-K501 PolarHBondContact O-N 3.29Å
498	I	90.6	Very high	87.8	Confident	46 Å²	46	30 Å²	30	24%	0.236	16%	0.157	C	C	.	.	H	α-helix	trans	-58.6	-48.3	172.4	-59.4	175.9	0	0	0	110	Y493 P494 R495 K501 V502	Y493-I498 VanDerWaalsContact CB-CG1 3.46Å; Y493-I498 HydrophobicContact CG-CG1 4.36Å; P494-I498 PolarHBondContact O-N 3.35Å; R495-I498 PolarHBondContact O-N 3.13Å; I498-K501 WeakPolarHBondContact O-CB 3.47Å; I498-K501 PolarHBondContact O-N 3.04Å; I498-V502 HydrophobicContact CG2-CG2 4.46Å; I498-V502 WeakPolarHBondContact O-CG2 3.42Å; I498-V502 PolarHBondContact O-N 3.39Å
499	C	93.6	Very high	88.4	Confident	0 Å²	0	30 Å²	30	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-73.8	-34.3	-173.6	-63.3	0	0	0	0	113.4	Y246 C249 R250 R495 W496 L497 K501 V502 V503	Y246-C499 HydrophobicContact CD2-CB 3.85Å; Y246-C499 HydrophobicContact CE2-CB 3.79Å; C249-C499 HydrophobicContact CB-CB 3.67Å; C249-C499 WeakPolarHBondContact CB-SG 3.37Å; C249-C499 WeakPolarHBondContact SG-CA 3.11Å; C249-C499 WeakPolarHBondContact SG-CB 3.11Å; C249-C499 CovalentContact SG-SG 2.05Å; C249-C499 PolarHBondContact SG-SG 2.7Å; R250-C499 HydrophobicContact CG-CB 4.15Å; R250-C499 PolarHBondContact N-SG 3.49Å; R250-C499 VanDerWaalsContact N-SG 3.38Å; R495-C499 WeakPolarHBondContact O-CB 3.24Å; R495-C499 PolarHBondContact O-N 2.73Å; R495-C499 PolarHBondContact O-SG 2.87Å; W496-C499 PolarHBondContact O-N 2.75Å; L497-C499 VanDerWaalsContact C-N 3.34Å; L497-C499 PolarHBondContact O-N 3.35Å; C499-K501 VanDerWaalsContact C-N 3.31Å; C499-V502 PolarHBondContact O-N 2.89Å; C499-V503 WeakPolarHBondContact O-CG2 3.27Å; C499-V503 PolarHBondContact O-N 2.87Å
500	S	95.1	Very high	89.2	Confident	0 Å²	0	29.3 Å²	29.3	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-61.4	-42.4	167.8	-68.5	0	0	0	0	111.1	L220 L223 N224 W496 V503 R504	L220-S500 PolarHBondContact O-OG 3.2Å; L223-S500 WeakPolarHBondContact CD2-O 3.05Å; N224-S500 WeakPolarHBondContact CB-OG 3.22Å; W496-S500 WeakPolarHBondContact O-CB 3.35Å; W496-S500 PolarHBondContact O-N 2.6Å; W496-S500 PolarHBondContact O-OG 2.85Å; S500-V503 PolarHBondContact O-N 3.09Å; S500-R504 PolarHBondContact O-N 3.43Å
501	K	93	Very high	90.1	Very high	78 Å²	78	25.3 Å²	25.3	34%	0.339	13%	0.13	S	C	.	.	H	α-helix	trans	-63.8	-44.6	177	-174.4	172.3	-177.8	69.2	0	111.7	E216 L220 L497 I498 C499 V503 R504 D505	E216-K501 IonicContact OE1-NZ 3.21Å; E216-K501 PolarHBondContact OE1-NZ 3.04Å; L220-K501 HydrophobicContact CD1-CB 4.01Å; L220-K501 HydrophobicContact CD2-CB 4.17Å; L497-K501 WeakPolarHBondContact O-CB 3.47Å; L497-K501 PolarHBondContact O-N 3.29Å; I498-K501 WeakPolarHBondContact O-CB 3.47Å; I498-K501 PolarHBondContact O-N 3.04Å; C499-K501 VanDerWaalsContact C-N 3.31Å; K501-V503 VanDerWaalsContact C-N 3.3Å; K501-V503 PolarHBondContact O-N 3.19Å; K501-R504 PolarHBondContact O-N 3.29Å; K501-D505 WeakPolarHBondContact CE-OD2 3.33Å; K501-D505 WeakPolarHBondContact CG-OD2 3.37Å; K501-D505 IonicContact NZ-OD1 3.39Å; K501-D505 IonicContact NZ-OD2 2.9Å; K501-D505 WeakPolarHBondContact O-CB 3.31Å; K501-D505 PolarHBondContact O-N 3.38Å
502	V	93.4	Very high	90.7	Very high	11 Å²	11	24.3 Å²	24.3	7%	0.067	12%	0.12	C	C	.	.	H	α-helix	trans	-53.6	-47.5	173	163	0	0	0	0	111.1	L245 I498 C499 D505 W506 F610	L245-V502 HydrophobicContact CD1-CG1 4.23Å; L245-V502 HydrophobicContact CD2-CG1 4.2Å; L245-V502 HydrophobicContact CG-CG1 4.14Å; I498-V502 HydrophobicContact CG2-CG2 4.46Å; I498-V502 WeakPolarHBondContact O-CG2 3.42Å; I498-V502 PolarHBondContact O-N 3.39Å; C499-V502 PolarHBondContact O-N 2.89Å; V502-D505 PolarHBondContact O-N 2.87Å; V502-W506 HydrophobicContact CG1-CD2 4.06Å; V502-W506 HydrophobicContact CG1-CE3 4.3Å; V502-W506 HydrophobicContact CG1-CG 4.34Å; V502-W506 WeakPolarHBondContact O-CB 3.19Å; V502-W506 PolarHBondContact O-N 3.02Å; V502-F610 HydrophobicContact CG1-CE2 4.01Å; V502-F610 HydrophobicContact CG1-CZ 3.62Å; V502-F610 HydrophobicContact CG2-CZ 4.23Å
503	V	94.3	Very high	91.3	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-63.9	-44.7	179.2	169.8	0	0	0	0	111.5	I227 V242 L245 Y246 C499 S500 K501 D505 L507 V511	I227-V503 HydrophobicContact CD1-CB 4.15Å; I227-V503 HydrophobicContact CD1-CG1 3.87Å; I227-V503 HydrophobicContact CD1-CG2 4.23Å; V242-V503 HydrophobicContact CG1-CG1 3.81Å; L245-V503 HydrophobicContact CB-CG2 4.48Å; L245-V503 HydrophobicContact CD2-CG2 4.16Å; L245-V503 HydrophobicContact CG-CG2 4.25Å; Y246-V503 HydrophobicContact CD2-CG2 4.19Å; C499-V503 WeakPolarHBondContact O-CG2 3.27Å; C499-V503 PolarHBondContact O-N 2.87Å; S500-V503 PolarHBondContact O-N 3.09Å; K501-V503 VanDerWaalsContact C-N 3.3Å; K501-V503 PolarHBondContact O-N 3.19Å; V503-D505 PolarHBondContact O-N 2.68Å; V503-L507 CarbonylContact O-C 3.59Å; V503-L507 WeakPolarHBondContact O-CA 3.4Å; V503-L507 PolarHBondContact O-N 3.18Å; V503-V511 HydrophobicContact CG1-CG2 3.61Å
504	R	92.3	Very high	91.7	Very high	29 Å²	29	19.6 Å²	19.6	11%	0.109	9%	0.094	C	C	.	.	H	α-helix	trans	-60.2	-43.5	176.2	177.5	60	79.3	-162.8	5.9	111.8	E219 L220 L223 S500 K501 P508 D512	E219-R504 IonicContact OE1-CZ 3.22Å; E219-R504 IonicContact OE1-NE 3.49Å; E219-R504 PolarHBondContact OE1-NE 2.78Å; E219-R504 IonicContact OE1-NH2 2.78Å; E219-R504 PolarHBondContact OE1-NH2 3.49Å; L220-R504 HydrophobicContact CD2-CB 4.26Å; L223-R504 HydrophobicContact CD2-CB 3.78Å; S500-R504 PolarHBondContact O-N 3.43Å; K501-R504 PolarHBondContact O-N 3.29Å; R504-P508 WeakPolarHBondContact O-CA 3.15Å; R504-P508 VanDerWaalsContact O-CB 3.28Å; R504-P508 WeakPolarHBondContact O-CB 3.43Å; R504-P508 WeakPolarHBondContact O-CD 3.49Å; R504-D512 IonicContact CZ-OD1 3.7Å; R504-D512 IonicContact NH1-OD1 3.33Å; R504-D512 PolarHBondContact NH1-OD1 3.36Å
505	D	91.5	Very high	91.7	Very high	58 Å²	58	20.9 Å²	20.9	31%	0.31	10%	0.097	S	C	.	.	H	α-helix	trans	-80.1	-31.2	-174.7	-65.4	-7.4	0	0	0	112.7	K501 V502 V503 R621	K501-D505 WeakPolarHBondContact CE-OD2 3.33Å; K501-D505 WeakPolarHBondContact CG-OD2 3.37Å; K501-D505 IonicContact NZ-OD1 3.39Å; K501-D505 IonicContact NZ-OD2 2.9Å; K501-D505 WeakPolarHBondContact O-CB 3.31Å; K501-D505 PolarHBondContact O-N 3.38Å; V502-D505 PolarHBondContact O-N 2.87Å; V503-D505 PolarHBondContact O-N 2.68Å; D505-R621 PolarHBondContact O-NH2 3.02Å
506	W	91.8	Very high	91.5	Very high	31 Å²	31	21.1 Å²	21.1	12%	0.117	10%	0.099	C	C	.	.	H	α-helix	trans	-94.1	-33.7	-175.9	-69.6	21.6	0	0	0	112.7	L245 V502 F610 H613 L614 I617	L245-W506 HydrophobicContact CD1-CE3 3.7Å; L245-W506 HydrophobicContact CD1-CZ3 3.88Å; L245-W506 HydrophobicContact CD2-CB 4.02Å; L245-W506 HydrophobicContact CD2-CE3 4.2Å; V502-W506 HydrophobicContact CG1-CD2 4.06Å; V502-W506 HydrophobicContact CG1-CE3 4.3Å; V502-W506 HydrophobicContact CG1-CG 4.34Å; V502-W506 WeakPolarHBondContact O-CB 3.19Å; V502-W506 PolarHBondContact O-N 3.02Å; W506-F610 AromaticContact CH2-CE1 3.97Å; W506-F610 HydrophobicContact CH2-CE1 3.97Å; W506-F610 HydrophobicContact CH2-CE2 4.42Å; W506-F610 AromaticContact CH2-CZ 3.65Å; W506-F610 HydrophobicContact CH2-CZ 3.65Å; W506-F610 HydrophobicContact CZ2-CE1 4.48Å; W506-F610 HydrophobicContact CZ2-CZ 4.21Å; W506-F610 HydrophobicContact CZ3-CE2 4.31Å; W506-F610 AromaticContact CZ3-CZ 3.95Å; W506-F610 HydrophobicContact CZ3-CZ 3.95Å; W506-H613 HydrophobicContact CH2-CB 4.4Å; W506-H613 HydrophobicContact CZ3-CB 3.78Å; W506-L614 HydrophobicContact CH2-CD2 3.63Å; W506-L614 HydrophobicContact CH2-CG 4.36Å; W506-L614 HydrophobicContact CZ2-CD2 3.59Å; W506-I617 HydrophobicContact CB-CD1 3.96Å; W506-I617 HydrophobicContact CB-CG1 4.2Å; W506-I617 HydrophobicContact CD2-CB 4.38Å; W506-I617 HydrophobicContact CD2-CG1 4Å; W506-I617 HydrophobicContact CD2-CG2 4.32Å; W506-I617 HydrophobicContact CE3-CB 4.04Å; W506-I617 HydrophobicContact CE3-CD1 4.48Å; W506-I617 HydrophobicContact CE3-CG1 4.06Å; W506-I617 HydrophobicContact CE3-CG2 4.16Å; W506-I617 HydrophobicContact CG-CD1 4.37Å; W506-I617 HydrophobicContact CG-CG1 4.08Å; W506-I617 HydrophobicContact CH2-CG2 4.31Å; W506-I617 HydrophobicContact CZ2-CG2 4.45Å; W506-I617 HydrophobicContact CZ3-CB 4.37Å; W506-I617 HydrophobicContact CZ3-CG2 4.16Å
507	L	93.4	Very high	90.9	Very high	1 Å²	1	21.5 Å²	21.5	1%	0.005	10%	0.103	C	C	.	.	S	Bend	trans	-125.9	46.7	-177.9	-53.2	177.8	0	0	0	112.8	T241 V242 L245 V503 F509 A510 V511 Y600 L603	T241-L507 HydrophobicContact CG2-CD1 4.14Å; V242-L507 HydrophobicContact CG2-CD1 4.01Å; L245-L507 HydrophobicContact CB-CD1 4.39Å; L245-L507 HydrophobicContact CD2-CD1 3.62Å; L245-L507 HydrophobicContact CD2-CG 3.83Å; V503-L507 CarbonylContact O-C 3.59Å; V503-L507 WeakPolarHBondContact O-CA 3.4Å; V503-L507 PolarHBondContact O-N 3.18Å; L507-F509 VanDerWaalsContact C-N 3.3Å; L507-F509 PolarHBondContact O-N 3.14Å; L507-A510 HydrophobicContact CB-CB 3.98Å; L507-A510 WeakPolarHBondContact O-CB 3.29Å; L507-A510 PolarHBondContact O-N 3.2Å; L507-V511 WeakPolarHBondContact O-CG2 3.49Å; L507-V511 PolarHBondContact O-N 3.39Å; L507-V511 VanDerWaalsContact O-N 3.1Å; L507-Y600 HydrophobicContact CD2-CD1 4.22Å; L507-Y600 HydrophobicContact CD2-CE1 3.69Å; L507-L603 HydrophobicContact CD2-CD2 3.36Å
508	P	92.1	Very high	89.3	Confident	15 Å²	15	26.3 Å²	26.3	10%	0.097	13%	0.134	C	C	.	.	H	α-helix	trans	-58.3	-41.6	-172.9	23.9	-34.3	0	0	0	112.3	R504 A510 V511 D512 Y643 P648	R504-P508 WeakPolarHBondContact O-CA 3.15Å; R504-P508 VanDerWaalsContact O-CB 3.28Å; R504-P508 WeakPolarHBondContact O-CB 3.43Å; R504-P508 WeakPolarHBondContact O-CD 3.49Å; P508-A510 PolarHBondContact O-N 3.29Å; P508-V511 PolarHBondContact O-N 3.35Å; P508-D512 WeakPolarHBondContact O-CB 3.44Å; P508-D512 PolarHBondContact O-N 3.24Å; P508-Y643 HydrophobicContact CB-CD1 3.93Å; P508-Y643 HydrophobicContact CB-CE1 4.45Å; P508-Y643 HydrophobicContact CG-CD1 4.21Å; P508-P648 HydrophobicContact CB-CG 4.29Å; P508-P648 HydrophobicContact CG-CG 4.09Å
509	F	93	Very high	87.5	Confident	1 Å²	1	29.2 Å²	29.2	0%	0.004	16%	0.156	C	C	.	.	H	α-helix	trans	-66.7	-35	178.3	177.4	-134.7	0	0	0	112.8	L507 A513 I585 V589 Y595 L596 Y599 Y600 V639 Y643	L507-F509 VanDerWaalsContact C-N 3.3Å; L507-F509 PolarHBondContact O-N 3.14Å; F509-A513 HydrophobicContact CE2-CB 4.37Å; F509-A513 WeakPolarHBondContact O-CB 3.05Å; F509-A513 PolarHBondContact O-N 3.45Å; F509-I585 HydrophobicContact CD2-CD1 3.67Å; F509-I585 HydrophobicContact CD2-CG1 4.07Å; F509-I585 HydrophobicContact CE2-CD1 3.55Å; F509-I585 HydrophobicContact CE2-CG1 3.81Å; F509-I585 HydrophobicContact CE2-CG2 3.94Å; F509-V589 HydrophobicContact CE2-CG1 4.46Å; F509-V589 HydrophobicContact CZ-CG1 3.97Å; F509-Y595 HydrophobicContact CE1-CD1 4.15Å; F509-Y595 AromaticContact CE1-CE1 3.82Å; F509-Y595 HydrophobicContact CE1-CE1 3.82Å; F509-Y595 AromaticContact CZ-CD1 3.96Å; F509-Y595 HydrophobicContact CZ-CD1 3.96Å; F509-Y595 AromaticContact CZ-CE1 3.67Å; F509-Y595 HydrophobicContact CZ-CE1 3.67Å; F509-L596 HydrophobicContact CD1-CD1 3.71Å; F509-L596 HydrophobicContact CE1-CD1 3.43Å; F509-L596 VanDerWaalsContact CE1-CD1 3.43Å; F509-L596 HydrophobicContact CE2-CD1 4.39Å; F509-L596 HydrophobicContact CG-CD1 4.32Å; F509-L596 HydrophobicContact CZ-CD1 3.8Å; F509-Y599 HydrophobicContact CB-CE1 4.4Å; F509-Y599 AromaticContact CD1-CD1 3.48Å; F509-Y599 HydrophobicContact CD1-CD1 3.48Å; F509-Y599 VanDerWaalsContact CD1-CD1 3.48Å; F509-Y599 HydrophobicContact CD1-CD2 4.25Å; F509-Y599 AromaticContact CD1-CE1 3.52Å; F509-Y599 HydrophobicContact CD1-CE1 3.52Å; F509-Y599 HydrophobicContact CD1-CE2 4.33Å; F509-Y599 AromaticContact CD1-CG 3.85Å; F509-Y599 HydrophobicContact CD1-CG 3.85Å; F509-Y599 AromaticContact CD1-CZ 3.98Å; F509-Y599 AromaticContact CE1-CD1 3.89Å; F509-Y599 HydrophobicContact CE1-CD1 3.89Å; F509-Y599 HydrophobicContact CE1-CD2 4.07Å; F509-Y599 HydrophobicContact CE1-CE1 4.27Å; F509-Y599 HydrophobicContact CE1-CE2 4.49Å; F509-Y599 AromaticContact CE1-CG 3.76Å; F509-Y599 HydrophobicContact CE1-CG 3.76Å; F509-Y599 HydrophobicContact CG-CE1 4.39Å; F509-Y600 WeakPolarHBondContact CB-OH 3.11Å; F509-Y600 HydrophobicContact CD1-CE2 4.09Å; F509-V639 HydrophobicContact CD1-CG1 4.07Å; F509-V639 HydrophobicContact CD2-CG1 4.22Å; F509-V639 HydrophobicContact CE1-CG1 3.88Å; F509-V639 HydrophobicContact CE2-CG1 4.05Å; F509-V639 HydrophobicContact CE2-CG2 4.28Å; F509-V639 HydrophobicContact CG-CG1 4.23Å; F509-V639 HydrophobicContact CZ-CG1 3.88Å; F509-V639 HydrophobicContact CZ-CG2 4.21Å; F509-Y643 HydrophobicContact CB-CD1 3.92Å; F509-Y643 HydrophobicContact CB-CD2 3.73Å; F509-Y643 HydrophobicContact CB-CE1 4.35Å; F509-Y643 HydrophobicContact CB-CE2 4.2Å; F509-Y643 HydrophobicContact CB-CG 3.58Å; F509-Y643 AromaticContact CD2-CD2 3.57Å; F509-Y643 HydrophobicContact CD2-CD2 3.57Å; F509-Y643 AromaticContact CD2-CE2 3.41Å; F509-Y643 HydrophobicContact CD2-CE2 3.41Å; F509-Y643 VanDerWaalsContact CD2-CE2 3.41Å; F509-Y643 HydrophobicContact CD2-CG 4.31Å; F509-Y643 HydrophobicContact CE2-CD2 4.44Å; F509-Y643 HydrophobicContact CE2-CE2 4.16Å; F509-Y643 AromaticContact CG-CD2 3.87Å; F509-Y643 HydrophobicContact CG-CD2 3.87Å; F509-Y643 HydrophobicContact CG-CE2 4.15Å; F509-Y643 HydrophobicContact CG-CG 4.25Å
510	A	92.3	Very high	85.3	Confident	1 Å²	1	38.8 Å²	38.8	1%	0.008	19%	0.192	C	C	.	.	H	α-helix	trans	-67.2	-47.8	178.8	0	0	0	0	0	110	V238 V242 L507 P508 A513 L514 Y600	V238-A510 HydrophobicContact CG1-CB 3.55Å; V242-A510 HydrophobicContact CG2-CB 3.83Å; L507-A510 HydrophobicContact CB-CB 3.98Å; L507-A510 WeakPolarHBondContact O-CB 3.29Å; L507-A510 PolarHBondContact O-N 3.2Å; P508-A510 PolarHBondContact O-N 3.29Å; A510-A513 PolarHBondContact O-N 2.86Å; A510-L514 WeakPolarHBondContact O-CB 3.46Å; A510-L514 WeakPolarHBondContact O-CG 3.08Å; A510-L514 PolarHBondContact O-N 2.75Å; A510-Y600 HydrophobicContact CB-CE2 3.63Å; A510-Y600 WeakPolarHBondContact CB-OH 3.46Å; A510-Y600 PolarHBondContact N-OH 3.44Å
511	V	91.4	Very high	82.7	Confident	1 Å²	1	47.5 Å²	47.5	1%	0.006	23%	0.233	C	C	.	.	H	α-helix	trans	-59.1	-51.9	179.2	177.2	0	0	0	0	110.4	L223 V503 L507 P508 A513 L514 Q515	L223-V511 HydrophobicContact CD1-CB 4.49Å; L223-V511 HydrophobicContact CD1-CG1 3.36Å; L223-V511 HydrophobicContact CD1-CG2 4.29Å; L223-V511 HydrophobicContact CD2-CG1 4.44Å; V503-V511 HydrophobicContact CG1-CG2 3.61Å; L507-V511 WeakPolarHBondContact O-CG2 3.49Å; L507-V511 PolarHBondContact O-N 3.39Å; L507-V511 VanDerWaalsContact O-N 3.1Å; P508-V511 PolarHBondContact O-N 3.35Å; V511-A513 PolarHBondContact O-N 3.11Å; V511-L514 PolarHBondContact O-N 2.7Å; V511-Q515 HydrophobicContact CG1-CG 4.4Å; V511-Q515 WeakPolarHBondContact O-CB 3.04Å; V511-Q515 WeakPolarHBondContact O-CG 3.45Å; V511-Q515 PolarHBondContact O-N 3.41Å
512	D	91.1	Very high	80.2	Confident	12 Å²	12	51.4 Å²	51.4	6%	0.064	25%	0.253	C	S	.	.	H	α-helix	trans	-64.1	-40.6	-178.3	-79.6	11.3	0	0	0	112.2	R504 P508 Q515 Q516 I585 Y643 V665	R504-D512 IonicContact CZ-OD1 3.7Å; R504-D512 IonicContact NH1-OD1 3.33Å; R504-D512 PolarHBondContact NH1-OD1 3.36Å; P508-D512 WeakPolarHBondContact O-CB 3.44Å; P508-D512 PolarHBondContact O-N 3.24Å; D512-Q515 PolarHBondContact O-N 3Å; D512-Q516 VanDerWaalsContact O-CB 3.3Å; D512-Q516 WeakPolarHBondContact O-CB 3.43Å; D512-Q516 WeakPolarHBondContact O-CG 2.95Å; D512-Q516 PolarHBondContact O-N 3.3Å; D512-Q516 PolarHBondContact O-NE2 3.48Å; D512-I585 HydrophobicContact CB-CD1 4.01Å; D512-Y643 HydrophobicContact CB-CE1 4.14Å; D512-Y643 VanDerWaalsContact CB-OH 3.29Å; D512-Y643 WeakPolarHBondContact CB-OH 3.24Å; D512-Y643 VanDerWaalsContact OD2-CE1 3.3Å; D512-Y643 WeakPolarHBondContact OD2-CE1 3.17Å; D512-Y643 PolarHBondContact OD2-OH 3.08Å; D512-V665 WeakPolarHBondContact OD1-CG2 3.4Å
513	A	91.3	Very high	77.6	Confident	2 Å²	2	59.7 Å²	59.7	2%	0.017	29%	0.288	C	S	.	.	H	α-helix	trans	-62.6	-45.3	177	0	0	0	0	0	111.4	F509 A510 V511 Q516 Q517 I585 L590 L596	F509-A513 HydrophobicContact CE2-CB 4.37Å; F509-A513 WeakPolarHBondContact O-CB 3.05Å; F509-A513 PolarHBondContact O-N 3.45Å; A510-A513 PolarHBondContact O-N 2.86Å; V511-A513 PolarHBondContact O-N 3.11Å; A513-Q516 PolarHBondContact O-N 2.83Å; A513-Q517 VanDerWaalsContact O-CG 3.28Å; A513-Q517 WeakPolarHBondContact O-CG 3.29Å; A513-Q517 PolarHBondContact O-N 2.87Å; A513-I585 VanDerWaalsContact CA-CD1 3.42Å; A513-I585 HydrophobicContact CB-CD1 3.71Å; A513-L590 HydrophobicContact CB-CD2 4.04Å; A513-L596 HydrophobicContact CB-CD1 3.85Å; A513-L596 HydrophobicContact CB-CD2 3.91Å
514	L	88.9	Confident	74.8	Confident	15 Å²	15	69.2 Å²	69.2	8%	0.079	33%	0.333	C	S	.	.	H	α-helix	trans	-67.7	-35.1	179.1	-67.2	173.2	0	0	0	112.3	F226 L230 V238 E239 V242 A510 V511	F226-L514 HydrophobicContact CE1-CB 4.08Å; F226-L514 HydrophobicContact CZ-CB 3.8Å; L230-L514 HydrophobicContact CD2-CD1 4.25Å; V238-L514 HydrophobicContact CG1-CD1 4.45Å; E239-L514 HydrophobicContact CG-CD1 4.1Å; E239-L514 HydrophobicContact CG-CD2 3.68Å; V242-L514 HydrophobicContact CG2-CD1 4.21Å; A510-L514 WeakPolarHBondContact O-CB 3.46Å; A510-L514 WeakPolarHBondContact O-CG 3.08Å; A510-L514 PolarHBondContact O-N 2.75Å; V511-L514 PolarHBondContact O-N 2.7Å
515	Q	86.3	Confident	72.1	Confident	58 Å²	58	73.1 Å²	73.1	27%	0.271	36%	0.36	S	S	.	.	H	α-helix	trans	-72.9	-29	175.4	-73.1	-177.6	-34	0	0	112.9	F226 V511 D512 V665	F226-Q515 HydrophobicContact CD1-CG 3.92Å; F226-Q515 HydrophobicContact CD2-CG 4.05Å; F226-Q515 HydrophobicContact CE1-CG 3.68Å; F226-Q515 HydrophobicContact CE2-CG 3.82Å; F226-Q515 HydrophobicContact CG-CG 4.1Å; F226-Q515 HydrophobicContact CZ-CB 4.44Å; F226-Q515 HydrophobicContact CZ-CG 3.62Å; V511-Q515 HydrophobicContact CG1-CG 4.4Å; V511-Q515 WeakPolarHBondContact O-CB 3.04Å; V511-Q515 WeakPolarHBondContact O-CG 3.45Å; V511-Q515 PolarHBondContact O-N 3.41Å; D512-Q515 PolarHBondContact O-N 3Å; Q515-V665 VanDerWaalsContact OE1-CG2 3.28Å
516	Q	85.2	Confident	69.5	Low	37 Å²	37	78.6 Å²	78.6	17%	0.173	39%	0.386	C	S	.	.	H	α-helix	trans	-85.5	-22.7	178	-70.9	177.6	51.8	0	0	113.1	D512 A513 L590 K664	D512-Q516 VanDerWaalsContact O-CB 3.3Å; D512-Q516 WeakPolarHBondContact O-CB 3.43Å; D512-Q516 WeakPolarHBondContact O-CG 2.95Å; D512-Q516 PolarHBondContact O-N 3.3Å; D512-Q516 PolarHBondContact O-NE2 3.48Å; A513-Q516 PolarHBondContact O-N 2.83Å; Q516-L590 HydrophobicContact CB-CD1 3.82Å; Q516-K664 VanDerWaalsContact CD-CB 3.4Å; Q516-K664 HydrophobicContact CG-CB 3.73Å; Q516-K664 HydrophobicContact CG-CG 3.86Å
517	Q	76.7	Confident	67.3	Low	51 Å²	51	83.7 Å²	83.7	24%	0.238	42%	0.42	C	S	.	.	S	Bend	trans	-64.4	135.7	173.6	-81.2	176.4	-1.4	0	0	110.3	A513	A513-Q517 VanDerWaalsContact O-CG 3.28Å; A513-Q517 WeakPolarHBondContact O-CG 3.29Å; A513-Q517 PolarHBondContact O-N 2.87Å
518	P	57.8	Low	64.6	Low	105 Å²	105	88.5 Å²	88.5	68%	0.682	45%	0.454	S	S	*	.	P	Polyproline II helix	trans	-57.3	134.1	174.9	21	-29.5	0	0	0	109.1	R520	P518-R520 PolarHBondContact O-N 3.03Å
519	P	52.6	Low	62.2	Low	107 Å²	107	98.1 Å²	98.1	70%	0.695	49%	0.494	S	S	*	.	P	Polyproline II helix	trans	-55.4	116.9	-179	-16.8	23.8	0	0	0	108.8	Q521	P519-Q521 PolarHBondContact O-N 2.8Å
520	R	47.3	Very low	59.8	Low	201 Å²	201	102 Å²	102	76%	0.758	52%	0.522	S	S	*	.	S	Bend	trans	-62.6	-8.1	-172.1	-90.4	-174.4	174.1	166.8	1.2	114.6	P518	P518-R520 PolarHBondContact O-N 3.03Å
521	Q	41	Very low	57.7	Low	183 Å²	183	114.7 Å²	114.7	86%	0.855	57%	0.57	S	S	*	*	S	Bend	trans	-169.7	15.8	178.9	-115	154.2	36.4	0	0	120.8	P519	P519-Q521 PolarHBondContact O-N 2.8Å
522	Q	40.4	Very low	56.2	Low	160 Å²	160	116.7 Å²	116.7	75%	0.748	59%	0.59	S	S	*	*	S	Bend	trans	-130.1	4.4	-168.3	-76.7	-173.7	-0.8	0	0	120.5
523	F	40	Very low	55.1	Low	185 Å²	185	118.5 Å²	118.5	81%	0.811	60%	0.599	S	S	*	*			trans	-145.8	49.6	169.8	-90.1	-80.3	0	0	0	113.4	T525	F523-T525 VanDerWaalsContact C-N 3.25Å
524	E	34.2	Very low	54.6	Low	201 Å²	201	122.9 Å²	122.9	94%	0.939	62%	0.623	S	S	*	*			trans	-88.1	10.8	162.4	-81.6	-170.9	159.7	0	0	113.2
525	T	37.1	Very low	54.3	Low	110 Å²	110	124.5 Å²	124.5	68%	0.675	63%	0.629	S	S	*	*			trans	-115	77.3	172.7	37.8	0	0	0	0	110.6	F523	F523-T525 VanDerWaalsContact C-N 3.25Å
526	M	36.5	Very low	54.2	Low	174 Å²	174	124 Å²	124	86%	0.857	63%	0.63	S	S	*	*			trans	-172.4	100.1	131	-101.1	174.2	-141.7	0	0	110.3	S528	M526-S528 PolarHBondContact O-N 3.09Å
527	T	44.8	Very low	54.1	Low	138 Å²	138	127.3 Å²	127.3	85%	0.847	65%	0.645	S	S	*	*			trans	-9.2	116.6	138.3	46.2	0	0	0	0	115.4
528	S	37.6	Very low	54.7	Low	102 Å²	102	124.9 Å²	124.9	71%	0.713	63%	0.634	S	S	*	*			trans	-151.6	120.2	131	-169	0	0	0	0	109	M526 S530	M526-S528 PolarHBondContact O-N 3.09Å; S528-S530 PolarHBondContact O-N 3.18Å
529	K	40.2	Very low	56.3	Low	216 Å²	216	119.9 Å²	119.9	94%	0.939	60%	0.602	S	S	*	*			trans	-66.1	71.2	159.9	-73.7	176.9	175.6	175.3	0	107.6
530	S	42.3	Very low	58.1	Low	84 Å²	84	116.6 Å²	116.6	59%	0.587	58%	0.577	S	S	*	*			trans	-73.3	124.9	163.6	175	0	0	0	0	107.1	S528 G532	S528-S530 PolarHBondContact O-N 3.18Å; S530-G532 PolarHBondContact O-N 3.13Å; S530-G532 PolarHBondContact OG-N 3.4Å
531	R	50	Low	60.1	Low	267 Å²	267	109.3 Å²	109.3	100%	1.008	55%	0.552	S	S	*	*	S	Bend	trans	-71.8	9.9	170.3	-88.8	-177.2	178.8	174.8	-0.4	112.7
532	G	58.3	Low	62.5	Low	42 Å²	42	100.7 Å²	100.7	43%	0.433	51%	0.511	S	S	.	.	S	Bend	trans	-112.8	166.1	-177.2	0	0	0	0	0	114.3	S530	S530-G532 PolarHBondContact O-N 3.13Å; S530-G532 PolarHBondContact OG-N 3.4Å
533	L	68.3	Low	65	Low	50 Å²	50	93.1 Å²	93.1	26%	0.262	48%	0.476	S	S	.	.			trans	-58.7	141.4	174.9	-74.7	153.3	0	0	0	111.4	Q537 Y674 A791 L792	L533-Q537 HydrophobicContact CD2-CB 4.04Å; L533-Y674 PolarHBondContact O-OH 2.94Å; L533-A791 HydrophobicContact CD1-CB 4.05Å; L533-L792 HydrophobicContact CD1-CD2 3.83Å; L533-L792 HydrophobicContact CD1-CG 4.42Å
534	N	80.3	Confident	67.6	Low	95 Å²	95	87.1 Å²	87.1	51%	0.508	45%	0.449	S	S	.	.			trans	-57.7	142	164.9	173.1	-7.9	0	0	0	109.2	T536 Q537 G538	N534-T536 PolarHBondContact O-N 2.98Å; N534-T536 VanDerWaalsContact O-N 3.13Å; N534-T536 PolarHBondContact OD1-N 2.59Å; N534-T536 VanDerWaalsContact OD1-N 3.15Å; N534-Q537 HydrophobicContact CB-CG 4.46Å; N534-Q537 PolarHBondContact O-N 3.48Å; N534-G538 PolarHBondContact O-N 3.09Å
535	K	84.3	Confident	70.4	Confident	49 Å²	49	77.5 Å²	77.5	21%	0.213	41%	0.405	C	S	.	.	H	α-helix	trans	-39.7	-51.1	174.3	-176.3	179.8	177.8	-176.2	0	112.3	Q537 G538 N539 S668 S669 D673	K535-Q537 PolarHBondContact O-N 3.48Å; K535-G538 PolarHBondContact O-N 2.94Å; K535-N539 WeakPolarHBondContact O-CB 3.36Å; K535-N539 PolarHBondContact O-N 3.34Å; K535-N539 PolarHBondContact O-OD1 2.95Å; K535-S668 PolarHBondContact NZ-O 2.93Å; K535-S669 PolarHBondContact NZ-O 3.3Å; K535-D673 WeakPolarHBondContact CE-OD2 3.5Å; K535-D673 IonicContact NZ-OD2 2.8Å
536	T	82.7	Confident	73.1	Confident	47 Å²	47	72.3 Å²	72.3	29%	0.288	37%	0.373	S	S	.	.	H	α-helix	trans	-61.2	-46.5	-177.5	-52.9	0	0	0	0	112.5	N534 N539 E540 K664	N534-T536 PolarHBondContact O-N 2.98Å; N534-T536 VanDerWaalsContact O-N 3.13Å; N534-T536 PolarHBondContact OD1-N 2.59Å; N534-T536 VanDerWaalsContact OD1-N 3.15Å; T536-N539 PolarHBondContact O-N 2.97Å; T536-E540 WeakPolarHBondContact O-CG 3.37Å; T536-E540 PolarHBondContact O-N 3.45Å; T536-K664 VanDerWaalsContact CG2-CE 3.43Å
537	Q	83.8	Confident	75.9	Confident	106 Å²	106	64 Å²	64	50%	0.495	33%	0.332	S	S	.	.	H	α-helix	trans	-68.6	-45	-179.4	-69.6	174.4	-20.5	0	0	111.4	L533 N534 K535 N539 E540 E541	L533-Q537 HydrophobicContact CD2-CB 4.04Å; N534-Q537 HydrophobicContact CB-CG 4.46Å; N534-Q537 PolarHBondContact O-N 3.48Å; K535-Q537 PolarHBondContact O-N 3.48Å; Q537-N539 VanDerWaalsContact C-N 3.31Å; Q537-N539 PolarHBondContact O-N 2.94Å; Q537-E540 PolarHBondContact O-N 2.88Å; Q537-E541 WeakPolarHBondContact O-CG 3.49Å; Q537-E541 PolarHBondContact O-N 2.8Å
538	G	89.1	Confident	78.3	Confident	0 Å²	0	58.9 Å²	58.9	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-61.3	-41.1	176.8	0	0	0	0	0	112	N534 K535 E541 L542 Y674 L792	N534-G538 PolarHBondContact O-N 3.09Å; K535-G538 PolarHBondContact O-N 2.94Å; G538-E541 PolarHBondContact O-N 3.38Å; G538-L542 WeakPolarHBondContact O-CB 3.33Å; G538-L542 PolarHBondContact O-N 3.47Å; G538-Y674 WeakPolarHBondContact O-CB 3.47Å; G538-L792 WeakPolarHBondContact O-CD2 3.18Å
539	N	91.2	Very high	81	Confident	0 Å²	0	54.5 Å²	54.5	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-62.1	-45.3	176.8	-78.7	4.7	0	0	0	112	K535 T536 Q537 L543 I667 Y672 D673 Y674	K535-N539 WeakPolarHBondContact O-CB 3.36Å; K535-N539 PolarHBondContact O-N 3.34Å; K535-N539 PolarHBondContact O-OD1 2.95Å; T536-N539 PolarHBondContact O-N 2.97Å; Q537-N539 VanDerWaalsContact C-N 3.31Å; Q537-N539 PolarHBondContact O-N 2.94Å; N539-L543 WeakPolarHBondContact O-CB 3.13Å; N539-L543 PolarHBondContact O-N 3.11Å; N539-I667 HydrophobicContact CB-CG2 3.57Å; N539-I667 PolarHBondContact ND2-O 3.12Å; N539-Y672 HydrophobicContact CB-CD1 4.24Å; N539-Y672 HydrophobicContact CB-CE1 3.66Å; N539-Y672 WeakPolarHBondContact O-CE1 3.15Å; N539-Y672 PolarHBondContact O-OH 2.95Å; N539-D673 WeakPolarHBondContact OD1-CA 3.33Å; N539-Y674 WeakPolarHBondContact OD1-CD1 3.49Å; N539-Y674 PolarHBondContact OD1-N 3.45Å
540	E	90	Very high	83.7	Confident	39 Å²	39	44.2 Å²	44.2	18%	0.182	22%	0.222	C	C	.	.	H	α-helix	trans	-65	-46.2	176.7	-73.2	-176.6	146.8	0	0	112.7	T536 Q537 L543 K544 F583 K664	T536-E540 WeakPolarHBondContact O-CG 3.37Å; T536-E540 PolarHBondContact O-N 3.45Å; Q537-E540 PolarHBondContact O-N 2.88Å; E540-L543 PolarHBondContact O-N 2.65Å; E540-K544 VanDerWaalsContact O-CG 3.29Å; E540-K544 WeakPolarHBondContact O-CG 3.36Å; E540-K544 PolarHBondContact O-N 3.09Å; E540-F583 HydrophobicContact CB-CD2 4.41Å; E540-F583 HydrophobicContact CB-CE2 4.31Å; E540-F583 HydrophobicContact CG-CD2 4.02Å; E540-F583 HydrophobicContact CG-CE2 4.38Å; E540-F583 HydrophobicContact CG-CG 4.17Å; E540-F583 WeakPolarHBondContact OE1-CB 3.47Å; E540-K664 IonicContact OE1-NZ 3.6Å; E540-K664 PolarHBondContact OE1-NZ 2.84Å; E540-K664 IonicContact OE2-NZ 3.63Å
541	E	89.8	Confident	86.3	Confident	48 Å²	48	40.8 Å²	40.8	22%	0.224	20%	0.196	C	C	.	.	H	α-helix	trans	-64.4	-43.8	-179.1	-71.5	-55.2	129.5	0	0	112	Q537 G538 L543 K544 L545 L792	Q537-E541 WeakPolarHBondContact O-CG 3.49Å; Q537-E541 PolarHBondContact O-N 2.8Å; G538-E541 PolarHBondContact O-N 3.38Å; E541-L543 VanDerWaalsContact C-N 3.33Å; E541-L543 PolarHBondContact O-N 2.8Å; E541-K544 PolarHBondContact O-N 3.39Å; E541-K544 IonicContact OE1-NZ 3.84Å; E541-K544 PolarHBondContact OE1-NZ 3.16Å; E541-L545 WeakPolarHBondContact O-CG 3.37Å; E541-L545 PolarHBondContact O-N 3.03Å; E541-L792 HydrophobicContact CB-CD1 4.42Å; E541-L792 HydrophobicContact CB-CD2 4.31Å
542	L	92.4	Very high	88.4	Confident	1 Å²	1	29 Å²	29	1%	0.005	15%	0.153	C	C	.	.	H	α-helix	trans	-63.1	-41.8	173.8	177.7	64.4	0	0	0	111.2	G538 K544 L545 M546 Y672 F768 L792 L794	G538-L542 WeakPolarHBondContact O-CB 3.33Å; G538-L542 PolarHBondContact O-N 3.47Å; L542-K544 VanDerWaalsContact C-N 3.34Å; L542-K544 PolarHBondContact O-N 2.89Å; L542-L545 PolarHBondContact O-N 3.3Å; L542-L545 VanDerWaalsContact O-N 3.16Å; L542-M546 HydrophobicContact CD1-CG 4.22Å; L542-M546 HydrophobicContact CD1-SD 4.48Å; L542-M546 HydrophobicContact CD2-SD 4.28Å; L542-M546 HydrophobicContact CG-CG 4.23Å; L542-M546 HydrophobicContact CG-SD 4Å; L542-M546 WeakPolarHBondContact O-CG 3.27Å; L542-M546 PolarHBondContact O-N 3.38Å; L542-Y672 WeakPolarHBondContact CB-OH 3.42Å; L542-Y672 HydrophobicContact CD2-CE2 4.2Å; L542-Y672 WeakPolarHBondContact CG-OH 3.5Å; L542-F768 HydrophobicContact CD1-CZ 4.11Å; L542-L792 HydrophobicContact CB-CD1 4.09Å; L542-L792 HydrophobicContact CB-CD2 4.41Å; L542-L792 HydrophobicContact CD1-CD1 4.44Å; L542-L794 HydrophobicContact CD1-CD1 3.99Å; L542-L794 HydrophobicContact CD1-CD2 4.08Å
543	L	93.4	Very high	90.1	Very high	2 Å²	2	27.5 Å²	27.5	1%	0.01	14%	0.135	C	C	.	.	H	α-helix	trans	-67.3	-36.7	-176.6	-167.9	59.4	0	0	0	111.6	N539 E540 E541 M546 F547 F583 V662 I667 Y672 I685 I689	N539-L543 WeakPolarHBondContact O-CB 3.13Å; N539-L543 PolarHBondContact O-N 3.11Å; E540-L543 PolarHBondContact O-N 2.65Å; E541-L543 VanDerWaalsContact C-N 3.33Å; E541-L543 PolarHBondContact O-N 2.8Å; L543-M546 PolarHBondContact O-N 3.43Å; L543-F547 WeakPolarHBondContact O-CB 3.41Å; L543-F547 PolarHBondContact O-N 3.04Å; L543-F583 HydrophobicContact CB-CE1 4.39Å; L543-F583 HydrophobicContact CD2-CD1 4.3Å; L543-F583 HydrophobicContact CD2-CE1 3.74Å; L543-F583 HydrophobicContact CG-CE1 4.2Å; L543-V662 HydrophobicContact CD2-CG1 4.06Å; L543-I667 HydrophobicContact CD2-CD1 3.86Å; L543-I667 HydrophobicContact CD2-CG1 3.93Å; L543-Y672 WeakPolarHBondContact CA-OH 3.33Å; L543-Y672 HydrophobicContact CB-CE1 4.31Å; L543-Y672 WeakPolarHBondContact CB-OH 3.44Å; L543-Y672 PolarHBondContact N-OH 3.47Å; L543-I685 HydrophobicContact CD1-CD1 3.8Å; L543-I685 HydrophobicContact CD1-CG1 4.17Å; L543-I685 HydrophobicContact CD1-CG2 4Å; L543-I685 HydrophobicContact CD2-CD1 4Å; L543-I689 HydrophobicContact CD1-CD1 3.71Å; L543-I689 HydrophobicContact CG-CD1 4.49Å
544	K	92.6	Very high	91.4	Very high	58 Å²	58	25.1 Å²	25.1	25%	0.252	12%	0.123	S	C	.	.	H	α-helix	trans	-57	-50.4	170.4	-71.6	172.2	-168.7	169	0	110.7	E540 E541 L542 M546 F547 F548 L581 F583 I783	E540-K544 VanDerWaalsContact O-CG 3.29Å; E540-K544 WeakPolarHBondContact O-CG 3.36Å; E540-K544 PolarHBondContact O-N 3.09Å; E541-K544 PolarHBondContact O-N 3.39Å; E541-K544 IonicContact OE1-NZ 3.84Å; E541-K544 PolarHBondContact OE1-NZ 3.16Å; L542-K544 VanDerWaalsContact C-N 3.34Å; L542-K544 PolarHBondContact O-N 2.89Å; K544-M546 PolarHBondContact O-N 3.32Å; K544-F547 PolarHBondContact O-N 3.48Å; K544-F548 WeakPolarHBondContact O-CD2 3.26Å; K544-F548 PolarHBondContact O-N 2.6Å; K544-F548 VanDerWaalsContact O-N 3.12Å; K544-L581 HydrophobicContact CB-CD1 4.35Å; K544-L581 HydrophobicContact CG-CD1 4.05Å; K544-F583 HydrophobicContact CD-CE2 4.3Å; K544-F583 VanDerWaalsContact CE-CE2 3.49Å; K544-F583 HydrophobicContact CG-CE2 3.84Å; K544-F583 HydrophobicContact CG-CZ 3.66Å; K544-I783 HydrophobicContact CB-CD1 4.21Å; K544-I783 HydrophobicContact CD-CD1 4.28Å
545	L	93.3	Very high	92	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-61.6	-43.9	179.3	-67.8	174	0	0	0	112	E541 L542 F548 S549 F768 I778 I783 T788 Y789 L792 L794	E541-L545 WeakPolarHBondContact O-CG 3.37Å; E541-L545 PolarHBondContact O-N 3.03Å; L542-L545 PolarHBondContact O-N 3.3Å; L542-L545 VanDerWaalsContact O-N 3.16Å; L545-F548 PolarHBondContact O-N 2.8Å; L545-S549 PolarHBondContact O-N 2.97Å; L545-F768 HydrophobicContact CB-CE2 4.03Å; L545-F768 HydrophobicContact CB-CZ 4.4Å; L545-I778 HydrophobicContact CB-CD1 4.22Å; L545-I778 HydrophobicContact CD2-CD1 4.22Å; L545-I783 HydrophobicContact CD2-CD1 4.29Å; L545-T788 HydrophobicContact CD1-CG2 3.75Å; L545-Y789 HydrophobicContact CD1-CD1 4.13Å; L545-Y789 HydrophobicContact CD1-CE1 3.91Å; L545-L792 HydrophobicContact CD1-CD1 3.83Å; L545-L794 HydrophobicContact CD1-CD1 4.5Å
546	M	95.1	Very high	92.4	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-59.4	-49	175.5	-72.5	-179.4	60.5	0	0	111.4	L542 L543 K544 F548 S549 L550 Y672 N681 F682 I685	L542-M546 HydrophobicContact CD1-CG 4.22Å; L542-M546 HydrophobicContact CD1-SD 4.48Å; L542-M546 HydrophobicContact CD2-SD 4.28Å; L542-M546 HydrophobicContact CG-CG 4.23Å; L542-M546 HydrophobicContact CG-SD 4Å; L542-M546 WeakPolarHBondContact O-CG 3.27Å; L542-M546 PolarHBondContact O-N 3.38Å; L543-M546 PolarHBondContact O-N 3.43Å; K544-M546 PolarHBondContact O-N 3.32Å; M546-F548 VanDerWaalsContact C-N 3.32Å; M546-F548 PolarHBondContact O-N 3.3Å; M546-S549 WeakPolarHBondContact O-CB 3.36Å; M546-S549 PolarHBondContact O-N 3.47Å; M546-S549 VanDerWaalsContact O-N 3.1Å; M546-L550 HydrophobicContact CB-CD1 4.43Å; M546-L550 WeakPolarHBondContact O-CB 3.42Å; M546-L550 WeakPolarHBondContact O-CD1 3.46Å; M546-L550 WeakPolarHBondContact O-CG 3.38Å; M546-L550 PolarHBondContact O-N 2.95Å; M546-Y672 HydrophobicContact SD-CE2 4.04Å; M546-N681 HydrophobicContact CE-CB 3.95Å; M546-N681 WeakPolarHBondContact CE-O 3.41Å; M546-N681 HydrophobicContact SD-CB 3.94Å; M546-F682 HydrophobicContact CB-CE2 4.47Å; M546-F682 HydrophobicContact CB-CZ 4.36Å; M546-F682 HydrophobicContact CE-CD2 3.75Å; M546-F682 HydrophobicContact CE-CE2 4.04Å; M546-F682 HydrophobicContact CE-CG 4.07Å; M546-F682 HydrophobicContact CG-CD2 4.31Å; M546-F682 HydrophobicContact CG-CE2 3.67Å; M546-F682 HydrophobicContact CG-CZ 4.03Å; M546-F682 HydrophobicContact SD-CD2 4.37Å; M546-F682 HydrophobicContact SD-CE2 4.29Å; M546-I685 HydrophobicContact CE-CG2 3.82Å
547	F	95.3	Very high	92.8	Very high	1 Å²	1	21.2 Å²	21.2	0%	0.004	10%	0.101	C	C	.	.	H	α-helix	trans	-54.5	-47.4	177.7	167.1	-101	0	0	0	112	L543 K544 S549 L550 R551 M579 L581 L660 I689 L693	L543-F547 WeakPolarHBondContact O-CB 3.41Å; L543-F547 PolarHBondContact O-N 3.04Å; K544-F547 PolarHBondContact O-N 3.48Å; F547-S549 VanDerWaalsContact C-N 3.32Å; F547-S549 PolarHBondContact O-N 2.78Å; F547-L550 PolarHBondContact O-N 2.85Å; F547-R551 WeakPolarHBondContact O-CB 3.29Å; F547-R551 PolarHBondContact O-N 3.47Å; F547-M579 HydrophobicContact CE2-SD 3.99Å; F547-M579 HydrophobicContact CZ-CB 4.36Å; F547-M579 HydrophobicContact CZ-CG 4.06Å; F547-M579 HydrophobicContact CZ-SD 3.92Å; F547-L581 HydrophobicContact CB-CD1 3.76Å; F547-L581 HydrophobicContact CB-CD2 4.06Å; F547-L581 HydrophobicContact CB-CG 4.39Å; F547-L581 HydrophobicContact CD1-CD1 3.51Å; F547-L581 HydrophobicContact CD1-CD2 3.73Å; F547-L581 HydrophobicContact CD1-CG 3.6Å; F547-L581 HydrophobicContact CD2-CD2 3.43Å; F547-L581 VanDerWaalsContact CD2-CD2 3.43Å; F547-L581 HydrophobicContact CD2-CG 4.26Å; F547-L581 HydrophobicContact CE1-CD1 4.21Å; F547-L581 HydrophobicContact CE1-CD2 3.95Å; F547-L581 HydrophobicContact CE1-CG 3.82Å; F547-L581 HydrophobicContact CE2-CD2 3.67Å; F547-L581 HydrophobicContact CE2-CG 4.45Å; F547-L581 HydrophobicContact CG-CD1 3.68Å; F547-L581 HydrophobicContact CG-CD2 3.44Å; F547-L581 VanDerWaalsContact CG-CD2 3.44Å; F547-L581 HydrophobicContact CG-CG 3.82Å; F547-L581 HydrophobicContact CZ-CD2 3.91Å; F547-L581 HydrophobicContact CZ-CG 4.24Å; F547-L660 HydrophobicContact CD2-CD2 3.67Å; F547-L660 HydrophobicContact CE2-CB 4.27Å; F547-L660 HydrophobicContact CE2-CD2 3.81Å; F547-I689 HydrophobicContact CD2-CG2 4.35Å; F547-L693 HydrophobicContact CE2-CD1 4.47Å
548	F	94.1	Very high	93.1	Very high	30 Å²	30	16.1 Å²	16.1	13%	0.132	8%	0.078	C	C	.	.	H	α-helix	trans	-64.2	-38.7	178.9	-72.5	-62.8	0	0	0	112.2	K544 L545 M546 R551 N552 I778 G780 S781	K544-F548 WeakPolarHBondContact O-CD2 3.26Å; K544-F548 PolarHBondContact O-N 2.6Å; K544-F548 VanDerWaalsContact O-N 3.12Å; L545-F548 PolarHBondContact O-N 2.8Å; M546-F548 VanDerWaalsContact C-N 3.32Å; M546-F548 PolarHBondContact O-N 3.3Å; F548-R551 VanDerWaalsContact CD1-CZ 3.46Å; F548-N552 WeakPolarHBondContact O-CB 3.46Å; F548-N552 PolarHBondContact O-N 3.4Å; F548-N552 PolarHBondContact O-ND2 3.32Å; F548-N552 VanDerWaalsContact O-ND2 3.11Å; F548-N552 PolarHBondContact O-OD1 3.31Å; F548-I778 HydrophobicContact CB-CG2 3.78Å; F548-G780 WeakPolarHBondContact CE1-O 3.29Å; F548-S781 VanDerWaalsContact CD2-CA 3.43Å; F548-S781 VanDerWaalsContact CD2-CB 3.45Å
549	S	95.3	Very high	93.1	Very high	9 Å²	9	20.9 Å²	20.9	6%	0.063	10%	0.1	C	C	.	.	H	α-helix	trans	-62.1	-50.2	174	-170.1	0	0	0	0	112.2	L545 M546 F547 R551 N552 Q553 A764	L545-S549 PolarHBondContact O-N 2.97Å; M546-S549 WeakPolarHBondContact O-CB 3.36Å; M546-S549 PolarHBondContact O-N 3.47Å; M546-S549 VanDerWaalsContact O-N 3.1Å; F547-S549 VanDerWaalsContact C-N 3.32Å; F547-S549 PolarHBondContact O-N 2.78Å; S549-R551 PolarHBondContact O-N 2.91Å; S549-N552 PolarHBondContact O-N 3.19Å; S549-Q553 WeakPolarHBondContact O-CB 2.9Å; S549-Q553 PolarHBondContact O-N 2.76Å; S549-A764 PolarHBondContact OG-O 2.88Å
550	L	96.9	Very high	92.9	Very high	0 Å²	0	27 Å²	27	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-60.9	-45.6	178.9	-65.7	162.6	0	0	0	111.2	M546 F547 N552 Q553 L554 F682 I689 L690 A761 A764	M546-L550 HydrophobicContact CB-CD1 4.43Å; M546-L550 WeakPolarHBondContact O-CB 3.42Å; M546-L550 WeakPolarHBondContact O-CD1 3.46Å; M546-L550 WeakPolarHBondContact O-CG 3.38Å; M546-L550 PolarHBondContact O-N 2.95Å; F547-L550 PolarHBondContact O-N 2.85Å; L550-N552 PolarHBondContact O-N 2.99Å; L550-Q553 PolarHBondContact O-N 2.96Å; L550-L554 WeakPolarHBondContact O-CB 3.38Å; L550-L554 PolarHBondContact O-N 2.72Å; L550-F682 HydrophobicContact CD2-CD1 3.89Å; L550-F682 HydrophobicContact CD2-CE1 3.81Å; L550-F682 HydrophobicContact CG-CE1 4.08Å; L550-I689 HydrophobicContact CD1-CB 4.17Å; L550-I689 HydrophobicContact CD1-CD1 4.21Å; L550-I689 HydrophobicContact CD1-CG2 4.05Å; L550-L690 HydrophobicContact CB-CD1 4.49Å; L550-L690 HydrophobicContact CB-CD2 4.22Å; L550-L690 HydrophobicContact CB-CG 4.23Å; L550-L690 HydrophobicContact CD2-CD1 3.48Å; L550-L690 VanDerWaalsContact CD2-CD1 3.48Å; L550-L690 HydrophobicContact CD2-CG 3.96Å; L550-A761 HydrophobicContact CD2-CB 4.49Å; L550-A764 HydrophobicContact CD2-CB 3.72Å; L550-A764 HydrophobicContact CG-CB 4.46Å
551	R	95.6	Very high	92.6	Very high	12 Å²	12	25.4 Å²	25.4	5%	0.045	12%	0.122	C	C	.	.	H	α-helix	trans	-59.3	-45.7	175.9	-178.1	-158.2	68	-178.7	-2	111.8	F547 F548 S549 L554 K555 L576 Q779	F547-R551 WeakPolarHBondContact O-CB 3.29Å; F547-R551 PolarHBondContact O-N 3.47Å; F548-R551 VanDerWaalsContact CD1-CZ 3.46Å; S549-R551 PolarHBondContact O-N 2.91Å; R551-L554 PolarHBondContact O-N 3.23Å; R551-K555 WeakPolarHBondContact O-CG 3.39Å; R551-K555 PolarHBondContact O-N 3.42Å; R551-L576 VanDerWaalsContact CD-O 3.24Å; R551-L576 WeakPolarHBondContact CD-O 3.3Å; R551-L576 HydrophobicContact CG-CB 4.19Å; R551-Q779 PolarHBondContact NH2-O 3.21Å; R551-Q779 VanDerWaalsContact NH2-O 3.1Å
552	N	94.3	Very high	92.1	Very high	19 Å²	19	32.8 Å²	32.8	10%	0.102	15%	0.153	C	C	.	.	H	α-helix	trans	-65.8	-43.7	179.6	-65.9	-17.4	0	0	0	110.5	F548 S549 L550 L554 K555 D556 Q779	F548-N552 WeakPolarHBondContact O-CB 3.46Å; F548-N552 PolarHBondContact O-N 3.4Å; F548-N552 PolarHBondContact O-ND2 3.32Å; F548-N552 VanDerWaalsContact O-ND2 3.11Å; F548-N552 PolarHBondContact O-OD1 3.31Å; S549-N552 PolarHBondContact O-N 3.19Å; L550-N552 PolarHBondContact O-N 2.99Å; N552-L554 VanDerWaalsContact C-N 3.3Å; N552-L554 PolarHBondContact O-N 2.98Å; N552-K555 WeakPolarHBondContact O-CB 3.38Å; N552-K555 PolarHBondContact O-N 3.38Å; N552-K555 VanDerWaalsContact O-N 3.16Å; N552-D556 PolarHBondContact O-N 2.95Å; N552-Q779 PolarHBondContact ND2-O 3.21Å
553	Q	95.5	Very high	91.5	Very high	11 Å²	11	36 Å²	36	5%	0.051	17%	0.165	C	C	.	.	H	α-helix	trans	-62.2	-37.9	175.3	-176.2	57.5	49.3	0	0	112.6	S549 L550 K555 D556 S557 T760 R763 A764 N767	S549-Q553 WeakPolarHBondContact O-CB 2.9Å; S549-Q553 PolarHBondContact O-N 2.76Å; L550-Q553 PolarHBondContact O-N 2.96Å; Q553-K555 VanDerWaalsContact C-N 3.34Å; Q553-D556 PolarHBondContact O-N 3.38Å; Q553-S557 PolarHBondContact NE2-OG 3.33Å; Q553-S557 WeakPolarHBondContact O-CB 3.4Å; Q553-S557 PolarHBondContact O-N 3.36Å; Q553-S557 PolarHBondContact O-OG 3.07Å; Q553-T760 HydrophobicContact CB-CG2 4.31Å; Q553-T760 HydrophobicContact CG-CG2 3.8Å; Q553-T760 WeakPolarHBondContact CG-O 3.36Å; Q553-R763 HydrophobicContact CG-CB 3.9Å; Q553-A764 HydrophobicContact CB-CB 3.67Å; Q553-A764 HydrophobicContact CG-CB 3.86Å; Q553-N767 PolarHBondContact OE1-ND2 3.24Å
554	L	94.7	Very high	90.7	Very high	0 Å²	0	36 Å²	36	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-63.8	-41.5	175.7	-176.4	57.9	0	0	0	111.1	L550 R551 N552 S557 L558 L576 L690 L693 I694 F697 T760 L874	L550-L554 WeakPolarHBondContact O-CB 3.38Å; L550-L554 PolarHBondContact O-N 2.72Å; R551-L554 PolarHBondContact O-N 3.23Å; N552-L554 VanDerWaalsContact C-N 3.3Å; N552-L554 PolarHBondContact O-N 2.98Å; L554-S557 PolarHBondContact O-N 3.31Å; L554-L558 WeakPolarHBondContact O-CB 3.4Å; L554-L558 VanDerWaalsContact O-CG 3.31Å; L554-L558 WeakPolarHBondContact O-CG 3.36Å; L554-L558 PolarHBondContact O-N 2.98Å; L554-L576 HydrophobicContact CD2-CD1 4.38Å; L554-L576 HydrophobicContact CD2-CD2 4.35Å; L554-L576 HydrophobicContact CG-CD1 4.4Å; L554-L690 HydrophobicContact CB-CD2 4.1Å; L554-L690 HydrophobicContact CD1-CD2 4.42Å; L554-L690 HydrophobicContact CD2-CD2 4.14Å; L554-L690 HydrophobicContact CG-CD2 4.46Å; L554-L693 HydrophobicContact CD2-CB 4.02Å; L554-L693 HydrophobicContact CD2-CD1 4.16Å; L554-I694 HydrophobicContact CD1-CD1 4.08Å; L554-I694 HydrophobicContact CD1-CG1 3.85Å; L554-I694 HydrophobicContact CD2-CG1 4.46Å; L554-F697 HydrophobicContact CD1-CE2 4.22Å; L554-F697 HydrophobicContact CD1-CZ 3.73Å; L554-F697 HydrophobicContact CD2-CE1 4.02Å; L554-F697 HydrophobicContact CD2-CZ 3.7Å; L554-F697 HydrophobicContact CG-CZ 3.83Å; L554-T760 HydrophobicContact CB-CG2 4.27Å; L554-T760 HydrophobicContact CD1-CG2 4.31Å; L554-L874 HydrophobicContact CD1-CD1 4.32Å
555	K	93.6	Very high	90.2	Very high	28 Å²	28	38.7 Å²	38.7	12%	0.122	18%	0.179	C	C	.	.	H	α-helix	trans	-60.9	-43.4	173.4	-70.8	167.9	55.6	-168.7	0	112.3	R551 N552 Q553 S557 L558 E559 L576 N577	R551-K555 WeakPolarHBondContact O-CG 3.39Å; R551-K555 PolarHBondContact O-N 3.42Å; N552-K555 WeakPolarHBondContact O-CB 3.38Å; N552-K555 PolarHBondContact O-N 3.38Å; N552-K555 VanDerWaalsContact O-N 3.16Å; Q553-K555 VanDerWaalsContact C-N 3.34Å; K555-S557 VanDerWaalsContact C-N 3.28Å; K555-S557 PolarHBondContact O-N 3.3Å; K555-L558 WeakPolarHBondContact O-CB 3.42Å; K555-L558 PolarHBondContact O-N 3.43Å; K555-E559 PolarHBondContact O-N 3.05Å; K555-L576 HydrophobicContact CD-CB 4.43Å; K555-L576 HydrophobicContact CG-CB 4.24Å; K555-L576 HydrophobicContact CG-CD1 3.69Å; K555-N577 WeakPolarHBondContact CE-OD1 3.46Å; K555-N577 PolarHBondContact NZ-OD1 3.42Å
556	D	93	Very high	89.9	Confident	80 Å²	80	42.5 Å²	42.5	43%	0.428	20%	0.203	S	C	.	.	H	α-helix	trans	-64.5	-37.4	178.4	-65.4	-18.2	0	0	0	111.5	N552 Q553 E559 Q560	N552-D556 PolarHBondContact O-N 2.95Å; Q553-D556 PolarHBondContact O-N 3.38Å; D556-E559 PolarHBondContact O-N 3.04Å; D556-Q560 PolarHBondContact O-N 2.87Å
557	S	90.9	Very high	89.4	Confident	1 Å²	1	44.4 Å²	44.4	1%	0.007	22%	0.219	C	C	.	.	H	α-helix	trans	-68.2	-39	176.8	-50.9	0	0	0	0	111.1	Q553 L554 K555 E559 Q560 A561 L874	Q553-S557 PolarHBondContact NE2-OG 3.33Å; Q553-S557 WeakPolarHBondContact O-CB 3.4Å; Q553-S557 PolarHBondContact O-N 3.36Å; Q553-S557 PolarHBondContact O-OG 3.07Å; L554-S557 PolarHBondContact O-N 3.31Å; K555-S557 VanDerWaalsContact C-N 3.28Å; K555-S557 PolarHBondContact O-N 3.3Å; S557-E559 VanDerWaalsContact C-N 3.31Å; S557-E559 PolarHBondContact O-N 3.31Å; S557-Q560 PolarHBondContact O-N 3.45Å; S557-A561 PolarHBondContact O-N 3.32Å; S557-L874 WeakPolarHBondContact CB-OXT 3.29Å
558	L	89	Confident	88.8	Confident	0 Å²	0	44.4 Å²	44.4	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-64.6	-30.8	172.6	-75.9	172.9	0	0	0	113.5	L554 K555 Q560 A561 L564 R569 I572 L576 F697 L874	L554-L558 WeakPolarHBondContact O-CB 3.4Å; L554-L558 VanDerWaalsContact O-CG 3.31Å; L554-L558 WeakPolarHBondContact O-CG 3.36Å; L554-L558 PolarHBondContact O-N 2.98Å; K555-L558 WeakPolarHBondContact O-CB 3.42Å; K555-L558 PolarHBondContact O-N 3.43Å; L558-Q560 VanDerWaalsContact C-N 3.26Å; L558-Q560 PolarHBondContact O-N 2.83Å; L558-A561 WeakPolarHBondContact O-CB 3.31Å; L558-A561 PolarHBondContact O-N 3.38Å; L558-L564 HydrophobicContact CD2-CD2 3.84Å; L558-R569 PolarHBondContact O-NE 3.3Å; L558-I572 HydrophobicContact CD1-CG2 3.56Å; L558-L576 HydrophobicContact CD1-CD1 3.76Å; L558-F697 HydrophobicContact CD1-CE2 4.19Å; L558-F697 HydrophobicContact CD1-CZ 3.92Å; L558-F697 HydrophobicContact CD2-CD2 4.35Å; L558-F697 HydrophobicContact CD2-CE2 3.59Å; L558-F697 HydrophobicContact CD2-CZ 4.18Å; L558-F697 HydrophobicContact CG-CE2 4.17Å; L558-F697 HydrophobicContact CG-CZ 4.32Å; L558-L874 HydrophobicContact CD2-CD1 4.44Å; L558-L874 HydrophobicContact CD2-CD2 4.13Å
559	E	90.1	Very high	88.5	Confident	99 Å²	99	44.7 Å²	44.7	46%	0.463	22%	0.22	S	C	.	.	H	α-helix	trans	-66.8	-31.6	174.9	-163.9	57.7	-121.2	0	0	112.1	K555 D556 S557 A561 R569 Q573	K555-E559 PolarHBondContact O-N 3.05Å; D556-E559 PolarHBondContact O-N 3.04Å; S557-E559 VanDerWaalsContact C-N 3.31Å; S557-E559 PolarHBondContact O-N 3.31Å; E559-A561 VanDerWaalsContact C-N 3.34Å; E559-R569 IonicContact OE1-CZ 3.41Å; E559-R569 IonicContact OE1-NH1 3.68Å; E559-R569 PolarHBondContact OE1-NH1 3.13Å; E559-Q573 PolarHBondContact OE2-NE2 3.32Å
560	Q	86.5	Confident	88.2	Confident	128 Å²	128	50.7 Å²	50.7	60%	0.598	25%	0.247	S	C	*	.	H	α-helix	trans	-84.8	-10.2	178.3	-62	172	30.3	0	0	112.7	D556 S557 L558 K562	D556-Q560 PolarHBondContact O-N 2.87Å; S557-Q560 PolarHBondContact O-N 3.45Å; L558-Q560 VanDerWaalsContact C-N 3.26Å; L558-Q560 PolarHBondContact O-N 2.83Å; Q560-K562 PolarHBondContact O-N 2.73Å
561	A	83.6	Confident	87.8	Confident	6 Å²	6	52.5 Å²	52.5	5%	0.05	25%	0.254	C	S	.	.			trans	-74.4	94.7	-177.5	0	0	0	0	0	111.7	S557 L558 E559 W563 L564 R569 L874	S557-A561 PolarHBondContact O-N 3.32Å; L558-A561 WeakPolarHBondContact O-CB 3.31Å; L558-A561 PolarHBondContact O-N 3.38Å; E559-A561 VanDerWaalsContact C-N 3.34Å; A561-W563 HydrophobicContact CB-CZ2 4.35Å; A561-W563 PolarHBondContact O-N 2.98Å; A561-L564 HydrophobicContact CB-CB 4.31Å; A561-L564 PolarHBondContact O-N 2.91Å; A561-R569 PolarHBondContact O-NH2 3.46Å; A561-L874 HydrophobicContact CB-CD2 3.86Å
562	K	80.3	Confident	87.5	Confident	204 Å²	204	52 Å²	52	89%	0.887	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.9	-23.8	179.8	-64.6	-177.6	-178.8	177.4	0	114.2	Q560 L564	Q560-K562 PolarHBondContact O-N 2.73Å; K562-L564 VanDerWaalsContact C-N 3.28Å
563	W	78.3	Confident	87.3	Confident	68 Å²	68	53 Å²	53	26%	0.258	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.5	-15.4	179.8	61.4	-100.6	0	0	0	112.9	A561 Y720 A721 L874	A561-W563 HydrophobicContact CB-CZ2 4.35Å; A561-W563 PolarHBondContact O-N 2.98Å; W563-Y720 AromaticContact CH2-CD2 3.67Å; W563-Y720 HydrophobicContact CH2-CD2 3.67Å; W563-Y720 AromaticContact CH2-CE2 3.45Å; W563-Y720 HydrophobicContact CH2-CE2 3.45Å; W563-Y720 VanDerWaalsContact CH2-CE2 3.45Å; W563-Y720 HydrophobicContact CZ2-CD2 4.44Å; W563-Y720 AromaticContact CZ2-CE2 3.86Å; W563-Y720 HydrophobicContact CZ2-CE2 3.86Å; W563-Y720 HydrophobicContact CZ3-CD2 4.12Å; W563-Y720 HydrophobicContact CZ3-CE2 4.34Å; W563-A721 HydrophobicContact CD2-CB 4.25Å; W563-L874 HydrophobicContact CZ2-CD2 4.25Å
564	L	78	Confident	87.2	Confident	3 Å²	3	58.4 Å²	58.4	2%	0.016	28%	0.28	C	S	.	.	S	Bend	trans	-97.6	123.6	-177.7	-174.9	64.5	0	0	0	110.7	L558 A561 K562 A568 R569 I572 L701	L558-L564 HydrophobicContact CD2-CD2 3.84Å; A561-L564 HydrophobicContact CB-CB 4.31Å; A561-L564 PolarHBondContact O-N 2.91Å; K562-L564 VanDerWaalsContact C-N 3.28Å; L564-A568 HydrophobicContact CD1-CB 3.87Å; L564-R569 HydrophobicContact CD2-CB 3.8Å; L564-R569 HydrophobicContact CD2-CG 4.08Å; L564-R569 HydrophobicContact CG-CB 4.05Å; L564-R569 PolarHBondContact O-NH2 3.45Å; L564-I572 HydrophobicContact CD1-CD1 4.31Å; L564-I572 HydrophobicContact CD2-CD1 4.14Å; L564-L701 HydrophobicContact CD1-CD2 3.91Å
565	E	82	Confident	87	Confident	114 Å²	114	59.3 Å²	59.3	53%	0.533	28%	0.284	S	S	.	.			trans	-59.9	143.5	177.8	-171.6	-176	160	0	0	111.9	A567 A568 R569	E565-A567 VanDerWaalsContact C-N 3.31Å; E565-A567 PolarHBondContact O-N 2.76Å; E565-A568 HydrophobicContact CB-CB 4.46Å; E565-A568 PolarHBondContact O-N 3.36Å; E565-R569 WeakPolarHBondContact O-CB 3.49Å; E565-R569 PolarHBondContact O-N 3.41Å
566	P	85.7	Confident	87	Confident	79 Å²	79	58 Å²	58	51%	0.513	28%	0.278	S	S	.	.	H	α-helix	trans	-53.1	-39.9	179.6	-29.5	36.4	0	0	0	115.3	R569 Q570	P566-R569 PolarHBondContact O-N 3.15Å; P566-Q570 WeakPolarHBondContact O-CG 3.39Å; P566-Q570 PolarHBondContact O-N 2.9Å
567	A	84.6	Confident	87	Confident	41 Å²	41	57.8 Å²	57.8	34%	0.339	28%	0.277	S	S	.	.	H	α-helix	trans	-67.8	-48.6	-179.6	0	0	0	0	0	112	E565 R569 Q570 F571 F704	E565-A567 VanDerWaalsContact C-N 3.31Å; E565-A567 PolarHBondContact O-N 2.76Å; A567-R569 VanDerWaalsContact C-N 3.29Å; A567-R569 PolarHBondContact O-N 2.87Å; A567-Q570 PolarHBondContact O-N 3.02Å; A567-F571 PolarHBondContact O-N 3.13Å; A567-F704 HydrophobicContact CB-CE2 4.18Å; A567-F704 HydrophobicContact CB-CZ 3.79Å
568	A	83.5	Confident	87	Confident	0 Å²	0	63.1 Å²	63.1	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-61	-38.7	174.9	0	0	0	0	0	111.7	L564 E565 F571 I572 L701 F704	L564-A568 HydrophobicContact CD1-CB 3.87Å; E565-A568 HydrophobicContact CB-CB 4.46Å; E565-A568 PolarHBondContact O-N 3.36Å; A568-F571 WeakPolarHBondContact O-CB 3.15Å; A568-F571 PolarHBondContact O-N 2.69Å; A568-I572 WeakPolarHBondContact O-CG1 3.39Å; A568-I572 PolarHBondContact O-N 3.3Å; A568-L701 HydrophobicContact CB-CD2 3.98Å; A568-F704 HydrophobicContact CB-CD1 4Å; A568-F704 HydrophobicContact CB-CE1 3.94Å; A568-F704 HydrophobicContact CB-CG 4.41Å; A568-F704 HydrophobicContact CB-CZ 4.29Å
569	R	87.2	Confident	87.2	Confident	37 Å²	37	63.5 Å²	63.5	14%	0.14	30%	0.304	C	S	.	.	H	α-helix	trans	-59.8	-48.7	175.1	-173.3	-171.5	-59.4	146.5	15.3	112.2	L558 E559 A561 L564 E565 P566 A567 F571 I572 Q573	L558-R569 PolarHBondContact O-NE 3.3Å; E559-R569 IonicContact OE1-CZ 3.41Å; E559-R569 IonicContact OE1-NH1 3.68Å; E559-R569 PolarHBondContact OE1-NH1 3.13Å; A561-R569 PolarHBondContact O-NH2 3.46Å; L564-R569 HydrophobicContact CD2-CB 3.8Å; L564-R569 HydrophobicContact CD2-CG 4.08Å; L564-R569 HydrophobicContact CG-CB 4.05Å; L564-R569 PolarHBondContact O-NH2 3.45Å; E565-R569 WeakPolarHBondContact O-CB 3.49Å; E565-R569 PolarHBondContact O-N 3.41Å; P566-R569 PolarHBondContact O-N 3.15Å; A567-R569 VanDerWaalsContact C-N 3.29Å; A567-R569 PolarHBondContact O-N 2.87Å; R569-F571 VanDerWaalsContact C-N 3.28Å; R569-F571 PolarHBondContact O-N 2.88Å; R569-I572 PolarHBondContact O-N 3.15Å; R569-Q573 WeakPolarHBondContact O-CB 3.47Å; R569-Q573 WeakPolarHBondContact O-CG 3.26Å; R569-Q573 PolarHBondContact O-N 2.68Å
570	Q	88.7	Confident	87.3	Confident	135 Å²	135	67.4 Å²	67.4	63%	0.631	31%	0.314	S	S	*	.	H	α-helix	trans	-61.8	-39.2	178.1	-73	177.3	7.1	0	0	111.6	P566 A567 Q573 K574	P566-Q570 WeakPolarHBondContact O-CG 3.39Å; P566-Q570 PolarHBondContact O-N 2.9Å; A567-Q570 PolarHBondContact O-N 3.02Å; Q570-Q573 PolarHBondContact O-N 2.94Å; Q570-K574 WeakPolarHBondContact O-CB 3.38Å; Q570-K574 PolarHBondContact O-N 3.01Å
571	F	88.1	Confident	87.6	Confident	37 Å²	37	63.1 Å²	63.1	16%	0.162	30%	0.295	C	S	.	.	H	α-helix	trans	-59.9	-51	174.5	178.8	-93.2	0	0	0	112	A567 A568 R569 Q573 K574 K575 F700 Q703 F704	A567-F571 PolarHBondContact O-N 3.13Å; A568-F571 WeakPolarHBondContact O-CB 3.15Å; A568-F571 PolarHBondContact O-N 2.69Å; R569-F571 VanDerWaalsContact C-N 3.28Å; R569-F571 PolarHBondContact O-N 2.88Å; F571-Q573 VanDerWaalsContact C-N 3.34Å; F571-Q573 PolarHBondContact O-N 3.4Å; F571-K574 PolarHBondContact O-N 3.4Å; F571-K575 HydrophobicContact CE1-CD 4.19Å; F571-K575 WeakPolarHBondContact O-CB 3.33Å; F571-K575 PolarHBondContact O-N 3.47Å; F571-F700 VanDerWaalsContact CE1-O 3.3Å; F571-F700 WeakPolarHBondContact CE1-O 3.39Å; F571-Q703 HydrophobicContact CE1-CB 4.3Å; F571-Q703 HydrophobicContact CZ-CB 4.11Å; F571-F704 HydrophobicContact CB-CD2 3.63Å; F571-F704 HydrophobicContact CB-CE2 4.25Å; F571-F704 HydrophobicContact CB-CG 4.42Å; F571-F704 HydrophobicContact CD1-CB 3.75Å; F571-F704 HydrophobicContact CD1-CD2 4.31Å; F571-F704 HydrophobicContact CD1-CG 4.45Å; F571-F704 HydrophobicContact CD2-CD2 4.08Å; F571-F704 HydrophobicContact CE1-CB 3.99Å; F571-F704 HydrophobicContact CG-CB 4.05Å; F571-F704 AromaticContact CG-CD2 3.75Å; F571-F704 HydrophobicContact CG-CD2 3.75Å; F571-F704 HydrophobicContact CG-CG 4.33Å; F571-F704 HydrophobicContact CZ-CB 4.49Å
572	I	89.6	Confident	88	Confident	1 Å²	1	64.7 Å²	64.7	1%	0.005	30%	0.302	C	S	.	.	H	α-helix	trans	-62.3	-43.2	179	-65.2	174.5	0	0	0	110.5	L558 L564 A568 R569 K574 K575 L576 F700 L701	L558-I572 HydrophobicContact CD1-CG2 3.56Å; L564-I572 HydrophobicContact CD1-CD1 4.31Å; L564-I572 HydrophobicContact CD2-CD1 4.14Å; A568-I572 WeakPolarHBondContact O-CG1 3.39Å; A568-I572 PolarHBondContact O-N 3.3Å; R569-I572 PolarHBondContact O-N 3.15Å; I572-K574 VanDerWaalsContact C-N 3.34Å; I572-K574 PolarHBondContact O-N 2.91Å; I572-K575 WeakPolarHBondContact O-CB 3.41Å; I572-K575 PolarHBondContact O-N 3.36Å; I572-L576 HydrophobicContact CG2-CD1 4.02Å; I572-L576 HydrophobicContact CG2-CG 4.19Å; I572-L576 WeakPolarHBondContact O-CG 3.49Å; I572-L576 PolarHBondContact O-N 2.79Å; I572-F700 HydrophobicContact CD1-CB 4.43Å; I572-F700 HydrophobicContact CG1-CB 4.04Å; I572-F700 HydrophobicContact CG1-CD2 4.39Å; I572-F700 HydrophobicContact CG2-CD2 4.03Å; I572-L701 HydrophobicContact CD1-CD2 4.03Å; I572-L701 HydrophobicContact CD1-CG 4.45Å
573	Q	91.4	Very high	88.5	Confident	41 Å²	41	56.1 Å²	56.1	19%	0.192	27%	0.265	C	S	.	.	H	α-helix	trans	-60.2	-42.8	177.3	-75.9	-178.9	2.5	0	0	112.4	E559 R569 Q570 F571 L576 N577	E559-Q573 PolarHBondContact OE2-NE2 3.32Å; R569-Q573 WeakPolarHBondContact O-CB 3.47Å; R569-Q573 WeakPolarHBondContact O-CG 3.26Å; R569-Q573 PolarHBondContact O-N 2.68Å; Q570-Q573 PolarHBondContact O-N 2.94Å; F571-Q573 VanDerWaalsContact C-N 3.34Å; F571-Q573 PolarHBondContact O-N 3.4Å; Q573-L576 PolarHBondContact O-N 2.72Å; Q573-N577 PolarHBondContact O-N 3.33Å; Q573-N577 PolarHBondContact O-ND2 2.82Å
574	K	91.5	Very high	89	Confident	124 Å²	124	52.9 Å²	52.9	54%	0.539	25%	0.252	S	S	.	.	H	α-helix	trans	-61.1	-47.1	174.9	-177	-178.7	174.8	-174.6	0	110.9	Q570 F571 I572 L576 N577 E578	Q570-K574 WeakPolarHBondContact O-CB 3.38Å; Q570-K574 PolarHBondContact O-N 3.01Å; F571-K574 PolarHBondContact O-N 3.4Å; I572-K574 VanDerWaalsContact C-N 3.34Å; I572-K574 PolarHBondContact O-N 2.91Å; K574-L576 PolarHBondContact O-N 2.79Å; K574-N577 WeakPolarHBondContact O-CB 3.18Å; K574-N577 PolarHBondContact O-N 3.49Å; K574-N577 VanDerWaalsContact O-N 3.13Å; K574-E578 WeakPolarHBondContact CE-OE1 3.42Å; K574-E578 PolarHBondContact O-N 3.03Å; K574-E578 VanDerWaalsContact O-N 3.09Å
575	K	90.9	Very high	89.6	Confident	19 Å²	19	52.9 Å²	52.9	8%	0.083	25%	0.252	C	S	.	.	H	α-helix	trans	-59.5	-44.2	178.7	-170.6	175.6	173.8	70.7	0	112.1	F571 I572 E578 M579 Y653 N658 F700 Q703	F571-K575 HydrophobicContact CE1-CD 4.19Å; F571-K575 WeakPolarHBondContact O-CB 3.33Å; F571-K575 PolarHBondContact O-N 3.47Å; I572-K575 WeakPolarHBondContact O-CB 3.41Å; I572-K575 PolarHBondContact O-N 3.36Å; K575-E578 PolarHBondContact O-N 2.84Å; K575-M579 PolarHBondContact O-N 3.29Å; K575-Y653 WeakPolarHBondContact CE-OH 3.24Å; K575-Y653 PolarHBondContact NZ-OH 3.25Å; K575-N658 PolarHBondContact O-ND2 2.96Å; K575-F700 HydrophobicContact CD-CB 4.23Å; K575-F700 HydrophobicContact CD-CD1 3.77Å; K575-F700 HydrophobicContact CD-CD2 4.24Å; K575-F700 HydrophobicContact CD-CE1 4.19Å; K575-F700 HydrophobicContact CD-CG 3.81Å; K575-Q703 VanDerWaalsContact CE-OE1 3.24Å
576	L	93.4	Very high	90.1	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-61.2	-43.4	174.1	-69.6	176.5	0	0	0	111.4	R551 L554 K555 L558 I572 Q573 K574 E578 M579 F700	R551-L576 VanDerWaalsContact CD-O 3.24Å; R551-L576 WeakPolarHBondContact CD-O 3.3Å; R551-L576 HydrophobicContact CG-CB 4.19Å; L554-L576 HydrophobicContact CD2-CD1 4.38Å; L554-L576 HydrophobicContact CD2-CD2 4.35Å; L554-L576 HydrophobicContact CG-CD1 4.4Å; K555-L576 HydrophobicContact CD-CB 4.43Å; K555-L576 HydrophobicContact CG-CB 4.24Å; K555-L576 HydrophobicContact CG-CD1 3.69Å; L558-L576 HydrophobicContact CD1-CD1 3.76Å; I572-L576 HydrophobicContact CG2-CD1 4.02Å; I572-L576 HydrophobicContact CG2-CG 4.19Å; I572-L576 WeakPolarHBondContact O-CG 3.49Å; I572-L576 PolarHBondContact O-N 2.79Å; Q573-L576 PolarHBondContact O-N 2.72Å; K574-L576 PolarHBondContact O-N 2.79Å; L576-E578 VanDerWaalsContact C-N 3.31Å; L576-E578 PolarHBondContact O-N 3.16Å; L576-M579 HydrophobicContact CD2-CE 3.75Å; L576-M579 VanDerWaalsContact O-CB 3.31Å; L576-M579 WeakPolarHBondContact O-CB 3.38Å; L576-M579 PolarHBondContact O-N 3.42Å; L576-F700 HydrophobicContact CD2-CE2 4.41Å
577	N	92.8	Very high	90.2	Very high	77 Å²	77	49 Å²	49	41%	0.412	23%	0.231	S	C	.	.	H	α-helix	trans	-62	-37.3	179.4	-71.5	-29.9	0	0	0	113.2	K555 Q573 K574 M579	K555-N577 WeakPolarHBondContact CE-OD1 3.46Å; K555-N577 PolarHBondContact NZ-OD1 3.42Å; Q573-N577 PolarHBondContact O-N 3.33Å; Q573-N577 PolarHBondContact O-ND2 2.82Å; K574-N577 WeakPolarHBondContact O-CB 3.18Å; K574-N577 PolarHBondContact O-N 3.49Å; K574-N577 VanDerWaalsContact O-N 3.13Å; N577-M579 VanDerWaalsContact C-N 3.32Å
578	E	92.6	Very high	90.5	Very high	113 Å²	113	52.3 Å²	52.3	53%	0.528	24%	0.239	S	C	.	.	H	α-helix	trans	-84.8	-6.1	-178.4	-67.6	173.1	-177.3	0	0	113.3	K574 K575 L576	K574-E578 WeakPolarHBondContact CE-OE1 3.42Å; K574-E578 PolarHBondContact O-N 3.03Å; K574-E578 VanDerWaalsContact O-N 3.09Å; K575-E578 PolarHBondContact O-N 2.84Å; L576-E578 VanDerWaalsContact C-N 3.31Å; L576-E578 PolarHBondContact O-N 3.16Å
579	M	93.1	Very high	90.8	Very high	7 Å²	7	52.5 Å²	52.5	3%	0.034	24%	0.241	C	C	.	.			trans	-66.8	136.2	-176.9	-171.3	179.4	-58.7	0	0	112	F547 K575 L576 N577 Y653 N658 L660 L693 F700	F547-M579 HydrophobicContact CE2-SD 3.99Å; F547-M579 HydrophobicContact CZ-CB 4.36Å; F547-M579 HydrophobicContact CZ-CG 4.06Å; F547-M579 HydrophobicContact CZ-SD 3.92Å; K575-M579 PolarHBondContact O-N 3.29Å; L576-M579 HydrophobicContact CD2-CE 3.75Å; L576-M579 VanDerWaalsContact O-CB 3.31Å; L576-M579 WeakPolarHBondContact O-CB 3.38Å; L576-M579 PolarHBondContact O-N 3.42Å; N577-M579 VanDerWaalsContact C-N 3.32Å; M579-Y653 HydrophobicContact CE-CD2 3.93Å; M579-Y653 HydrophobicContact CE-CE2 3.41Å; M579-Y653 VanDerWaalsContact CE-CE2 3.41Å; M579-Y653 HydrophobicContact CG-CE2 4.2Å; M579-Y653 HydrophobicContact SD-CD2 4.06Å; M579-Y653 HydrophobicContact SD-CE2 3.91Å; M579-N658 WeakPolarHBondContact CA-O 3.41Å; M579-N658 PolarHBondContact N-ND2 3.41Å; M579-L660 HydrophobicContact SD-CB 4.4Å; M579-L693 HydrophobicContact CE-CD2 3.73Å; M579-L693 HydrophobicContact SD-CD2 3.46Å; M579-L693 WeakPolarHBondContact SD-CD2 3.49Å; M579-F700 HydrophobicContact CE-CZ 4.4Å
580	R	91.5	Very high	90.8	Very high	181 Å²	181	52.1 Å²	52.1	68%	0.683	24%	0.241	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-110.1	163.6	178.6	-52.9	178.9	-178.4	176.6	-0.3	111.8	N658 M659 L660	R580-N658 PolarHBondContact N-O 2.89Å; R580-N658 VanDerWaalsContact N-O 3.11Å; R580-M659 HydrophobicContact CB-CG 3.99Å; R580-M659 HydrophobicContact CB-SD 4.12Å; R580-M659 CarbonylContact O-C 3.55Å; R580-M659 VanDerWaalsContact O-CA 3.26Å; R580-M659 WeakPolarHBondContact O-CA 3.4Å; R580-L660 PolarHBondContact O-N 3.11Å
581	L	92.3	Very high	90.7	Very high	38 Å²	38	52.9 Å²	52.9	20%	0.199	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	140.4	174.5	-68.9	175.4	0	0	0	110.1	K544 F547 F583 L660	K544-L581 HydrophobicContact CB-CD1 4.35Å; K544-L581 HydrophobicContact CG-CD1 4.05Å; F547-L581 HydrophobicContact CB-CD1 3.76Å; F547-L581 HydrophobicContact CB-CD2 4.06Å; F547-L581 HydrophobicContact CB-CG 4.39Å; F547-L581 HydrophobicContact CD1-CD1 3.51Å; F547-L581 HydrophobicContact CD1-CD2 3.73Å; F547-L581 HydrophobicContact CD1-CG 3.6Å; F547-L581 HydrophobicContact CD2-CD2 3.43Å; F547-L581 VanDerWaalsContact CD2-CD2 3.43Å; F547-L581 HydrophobicContact CD2-CG 4.26Å; F547-L581 HydrophobicContact CE1-CD1 4.21Å; F547-L581 HydrophobicContact CE1-CD2 3.95Å; F547-L581 HydrophobicContact CE1-CG 3.82Å; F547-L581 HydrophobicContact CE2-CD2 3.67Å; F547-L581 HydrophobicContact CE2-CG 4.45Å; F547-L581 HydrophobicContact CG-CD1 3.68Å; F547-L581 HydrophobicContact CG-CD2 3.44Å; F547-L581 VanDerWaalsContact CG-CD2 3.44Å; F547-L581 HydrophobicContact CG-CG 3.82Å; F547-L581 HydrophobicContact CZ-CD2 3.91Å; F547-L581 HydrophobicContact CZ-CG 4.24Å; L581-F583 HydrophobicContact CB-CZ 4.26Å; L581-F583 HydrophobicContact CD1-CZ 4.02Å; L581-L660 HydrophobicContact CD2-CB 3.81Å; L581-L660 HydrophobicContact CD2-CD2 3.74Å; L581-L660 HydrophobicContact CD2-CG 4.26Å
582	Q	92.1	Very high	90.7	Very high	39 Å²	39	55.2 Å²	55.2	18%	0.182	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	125.3	169.3	171.3	65.2	48.8	0	0	108.8	G584 I638 L660 L661 V662	Q582-G584 PolarHBondContact NE2-O 2.82Å; Q582-I638 HydrophobicContact CG-CG2 4.1Å; Q582-L660 PolarHBondContact N-O 3.29Å; Q582-L661 HydrophobicContact CB-CD2 3.96Å; Q582-L661 HydrophobicContact CG-CD2 4.07Å; Q582-V662 PolarHBondContact O-N 2.88Å
583	F	90.6	Very high	90.3	Very high	25 Å²	25	60.5 Å²	60.5	11%	0.11	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	120	176.9	-54.8	-63.4	0	0	0	109.5	E540 L543 K544 L581 V662 I667	E540-F583 HydrophobicContact CB-CD2 4.41Å; E540-F583 HydrophobicContact CB-CE2 4.31Å; E540-F583 HydrophobicContact CG-CD2 4.02Å; E540-F583 HydrophobicContact CG-CE2 4.38Å; E540-F583 HydrophobicContact CG-CG 4.17Å; E540-F583 WeakPolarHBondContact OE1-CB 3.47Å; L543-F583 HydrophobicContact CB-CE1 4.39Å; L543-F583 HydrophobicContact CD2-CD1 4.3Å; L543-F583 HydrophobicContact CD2-CE1 3.74Å; L543-F583 HydrophobicContact CG-CE1 4.2Å; K544-F583 HydrophobicContact CD-CE2 4.3Å; K544-F583 VanDerWaalsContact CE-CE2 3.49Å; K544-F583 HydrophobicContact CG-CE2 3.84Å; K544-F583 HydrophobicContact CG-CZ 3.66Å; L581-F583 HydrophobicContact CB-CZ 4.26Å; L581-F583 HydrophobicContact CD1-CZ 4.02Å; F583-V662 HydrophobicContact CD1-CB 4.25Å; F583-I667 HydrophobicContact CB-CD1 4.17Å; F583-I667 HydrophobicContact CD1-CD1 3.45Å; F583-I667 VanDerWaalsContact CD1-CD1 3.45Å; F583-I667 HydrophobicContact CE1-CD1 4.23Å; F583-I667 HydrophobicContact CG-CD1 4.13Å
584	G	89.4	Confident	90.1	Very high	0 Å²	0	62.2 Å²	62.2	0%	0	30%	0.304	C	S	.	.	S	Bend	trans	54.2	-153.6	177.5	0	0	0	0	0	113.4	Q582 M642 V662	Q582-G584 PolarHBondContact NE2-O 2.82Å; G584-M642 WeakPolarHBondContact O-CE 3.3Å; G584-V662 PolarHBondContact N-O 2.8Å
585	I	91.3	Very high	90.1	Very high	3 Å²	3	57.4 Å²	57.4	2%	0.015	28%	0.283	C	S	.	.	S	Bend	trans	-79.2	135.3	179.7	-61.4	158.1	0	0	0	107.6	F509 D512 A513 D587 V589 L590 Y643	F509-I585 HydrophobicContact CD2-CD1 3.67Å; F509-I585 HydrophobicContact CD2-CG1 4.07Å; F509-I585 HydrophobicContact CE2-CD1 3.55Å; F509-I585 HydrophobicContact CE2-CG1 3.81Å; F509-I585 HydrophobicContact CE2-CG2 3.94Å; D512-I585 HydrophobicContact CB-CD1 4.01Å; A513-I585 VanDerWaalsContact CA-CD1 3.42Å; A513-I585 HydrophobicContact CB-CD1 3.71Å; I585-D587 PolarHBondContact O-N 2.88Å; I585-V589 HydrophobicContact CG2-CB 3.76Å; I585-V589 HydrophobicContact CG2-CG1 3.63Å; I585-L590 HydrophobicContact CB-CD1 4.36Å; I585-L590 HydrophobicContact CB-CD2 4.03Å; I585-L590 HydrophobicContact CB-CG 4.12Å; I585-L590 HydrophobicContact CD1-CD2 4.07Å; I585-L590 HydrophobicContact CG2-CD2 3.77Å; I585-L590 HydrophobicContact CG2-CG 3.83Å; I585-Y643 HydrophobicContact CD1-CE2 4.34Å; I585-Y643 HydrophobicContact CG1-CE2 3.82Å; I585-Y643 WeakPolarHBondContact CG1-OH 3.3Å
586	P	91.7	Very high	90.1	Very high	5 Å²	5	57.3 Å²	57.3	3%	0.032	28%	0.283	C	S	.	.			trans	-54.1	138.3	175.3	-25.8	34.1	0	0	0	112.3	E588 V589 L590 L635 I638	P586-E588 WeakPolarHBondContact CB-OE2 3.42Å; P586-E588 PolarHBondContact O-N 2.86Å; P586-V589 HydrophobicContact CB-CG2 4.27Å; P586-V589 HydrophobicContact CG-CG2 4.46Å; P586-V589 WeakPolarHBondContact O-CB 3.48Å; P586-V589 PolarHBondContact O-N 3.05Å; P586-L590 PolarHBondContact O-N 3.18Å; P586-L635 HydrophobicContact CB-CD2 4.01Å; P586-L635 HydrophobicContact CG-CD2 4.2Å; P586-I638 HydrophobicContact CG-CB 4.38Å; P586-I638 HydrophobicContact CG-CD1 4.01Å; P586-I638 HydrophobicContact CG-CG2 3.85Å
587	D	87.7	Confident	89.8	Confident	107 Å²	107	59.9 Å²	59.9	57%	0.572	30%	0.304	S	S	*	.	H	α-helix	trans	-58.9	-32.4	-178.8	-76.1	-28	0	0	0	111.7	I585 V589 L590 Q591	I585-D587 PolarHBondContact O-N 2.88Å; D587-V589 PolarHBondContact O-N 2.75Å; D587-L590 PolarHBondContact O-N 3.36Å; D587-Q591 WeakPolarHBondContact O-CB 3.49Å; D587-Q591 WeakPolarHBondContact O-CG 3.45Å; D587-Q591 PolarHBondContact O-N 2.87Å
588	E	90.3	Very high	89.7	Confident	109 Å²	109	61.8 Å²	61.8	51%	0.509	31%	0.311	S	S	.	.	H	α-helix	trans	-60.5	-34	175.9	-59.7	80.8	-178.1	0	0	112.1	P586 Q592 L635	P586-E588 WeakPolarHBondContact CB-OE2 3.42Å; P586-E588 PolarHBondContact O-N 2.86Å; E588-Q592 WeakPolarHBondContact O-CG 3.5Å; E588-Q592 PolarHBondContact O-N 3.01Å; E588-Q592 PolarHBondContact O-NE2 3.49Å; E588-L635 HydrophobicContact CB-CD1 4.07Å
589	V	91.1	Very high	89.7	Confident	5 Å²	5	57.4 Å²	57.4	3%	0.03	29%	0.29	C	S	.	.	H	α-helix	trans	-74.6	-43.1	176.4	172	0	0	0	0	110.3	F509 I585 P586 D587 Q591 Q592 Y595 L635 V639	F509-V589 HydrophobicContact CE2-CG1 4.46Å; F509-V589 HydrophobicContact CZ-CG1 3.97Å; I585-V589 HydrophobicContact CG2-CB 3.76Å; I585-V589 HydrophobicContact CG2-CG1 3.63Å; P586-V589 HydrophobicContact CB-CG2 4.27Å; P586-V589 HydrophobicContact CG-CG2 4.46Å; P586-V589 WeakPolarHBondContact O-CB 3.48Å; P586-V589 PolarHBondContact O-N 3.05Å; D587-V589 PolarHBondContact O-N 2.75Å; V589-Q591 VanDerWaalsContact C-N 3.35Å; V589-Q591 PolarHBondContact O-N 3.45Å; V589-Q592 PolarHBondContact O-N 3.16Å; V589-Y595 HydrophobicContact CG1-CD1 3.4Å; V589-Y595 VanDerWaalsContact CG1-CD1 3.4Å; V589-Y595 HydrophobicContact CG1-CD2 4.36Å; V589-Y595 HydrophobicContact CG1-CE1 3.53Å; V589-Y595 HydrophobicContact CG1-CE2 4.48Å; V589-Y595 HydrophobicContact CG1-CG 3.85Å; V589-Y595 HydrophobicContact CG2-CE2 4.46Å; V589-L635 HydrophobicContact CG2-CB 3.99Å; V589-L635 HydrophobicContact CG2-CD1 4.19Å; V589-L635 HydrophobicContact CG2-CD2 4.31Å; V589-L635 HydrophobicContact CG2-CG 4.39Å; V589-V639 HydrophobicContact CG1-CG2 4.37Å; V589-V639 HydrophobicContact CG2-CG2 4.34Å
590	L	87.4	Confident	89.6	Confident	29 Å²	29	57.8 Å²	57.8	15%	0.152	29%	0.291	C	S	.	.	H	α-helix	trans	-68.8	-32.2	-179.9	-63.3	177	0	0	0	112.9	A513 Q516 I585 P586 D587 Q592	A513-L590 HydrophobicContact CB-CD2 4.04Å; Q516-L590 HydrophobicContact CB-CD1 3.82Å; I585-L590 HydrophobicContact CB-CD1 4.36Å; I585-L590 HydrophobicContact CB-CD2 4.03Å; I585-L590 HydrophobicContact CB-CG 4.12Å; I585-L590 HydrophobicContact CD1-CD2 4.07Å; I585-L590 HydrophobicContact CG2-CD2 3.77Å; I585-L590 HydrophobicContact CG2-CG 3.83Å; P586-L590 PolarHBondContact O-N 3.18Å; D587-L590 PolarHBondContact O-N 3.36Å; L590-Q592 VanDerWaalsContact C-N 3.33Å
591	Q	85.8	Confident	89.4	Confident	151 Å²	151	53.8 Å²	53.8	71%	0.706	28%	0.283	S	S	*	.	H	α-helix	trans	-76.7	-18.9	178.5	-71.2	172.3	22.8	0	0	113	D587 V589 P593	D587-Q591 WeakPolarHBondContact O-CB 3.49Å; D587-Q591 WeakPolarHBondContact O-CG 3.45Å; D587-Q591 PolarHBondContact O-N 2.87Å; V589-Q591 VanDerWaalsContact C-N 3.35Å; V589-Q591 PolarHBondContact O-N 3.45Å; Q591-P593 WeakPolarHBondContact O-CD 3.3Å
592	Q	88.3	Confident	89	Confident	86 Å²	86	54.7 Å²	54.7	40%	0.402	29%	0.286	S	S	.	.			trans	-81.7	105.5	176.2	-76	174.2	27.3	0	0	110.6	E588 V589 L590 T594 Y595	E588-Q592 WeakPolarHBondContact O-CG 3.5Å; E588-Q592 PolarHBondContact O-N 3.01Å; E588-Q592 PolarHBondContact O-NE2 3.49Å; V589-Q592 PolarHBondContact O-N 3.16Å; L590-Q592 VanDerWaalsContact C-N 3.33Å; Q592-T594 PolarHBondContact O-N 3.25Å; Q592-T594 VanDerWaalsContact O-N 3.09Å; Q592-Y595 PolarHBondContact O-N 2.93Å
593	P	81.1	Confident	88.8	Confident	111 Å²	111	53.4 Å²	53.4	72%	0.721	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.7	-23.8	-171.4	26.6	-35.3	0	0	0	113.6	Q591	Q591-P593 WeakPolarHBondContact O-CD 3.3Å
594	T	88.3	Confident	88.3	Confident	78 Å²	78	56.3 Å²	56.3	48%	0.479	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.5	-12.9	-177.6	54.8	0	0	0	0	114	Q592 L596 A597 Q598	Q592-T594 PolarHBondContact O-N 3.25Å; Q592-T594 VanDerWaalsContact O-N 3.09Å; T594-L596 PolarHBondContact O-N 3.22Å; T594-A597 PolarHBondContact O-N 2.87Å; T594-Q598 WeakPolarHBondContact O-CB 3.46Å; T594-Q598 VanDerWaalsContact O-CG 3.26Å; T594-Q598 WeakPolarHBondContact O-CG 3.29Å; T594-Q598 PolarHBondContact O-N 3.35Å
595	Y	91.4	Very high	87.9	Confident	23 Å²	23	57.5 Å²	57.5	9%	0.09	30%	0.302	C	S	.	.	H	α-helix	trans	-61.1	-50.1	-171.8	-173.9	-81.3	0	0	0	111.5	F509 V589 Q592 A597 Q598 Y599 D636 V639	F509-Y595 HydrophobicContact CE1-CD1 4.15Å; F509-Y595 AromaticContact CE1-CE1 3.82Å; F509-Y595 HydrophobicContact CE1-CE1 3.82Å; F509-Y595 AromaticContact CZ-CD1 3.96Å; F509-Y595 HydrophobicContact CZ-CD1 3.96Å; F509-Y595 AromaticContact CZ-CE1 3.67Å; F509-Y595 HydrophobicContact CZ-CE1 3.67Å; V589-Y595 HydrophobicContact CG1-CD1 3.4Å; V589-Y595 VanDerWaalsContact CG1-CD1 3.4Å; V589-Y595 HydrophobicContact CG1-CD2 4.36Å; V589-Y595 HydrophobicContact CG1-CE1 3.53Å; V589-Y595 HydrophobicContact CG1-CE2 4.48Å; V589-Y595 HydrophobicContact CG1-CG 3.85Å; V589-Y595 HydrophobicContact CG2-CE2 4.46Å; Q592-Y595 PolarHBondContact O-N 2.93Å; Y595-A597 PolarHBondContact O-N 3.05Å; Y595-Q598 PolarHBondContact O-N 3.39Å; Y595-Y599 WeakPolarHBondContact O-CB 3.49Å; Y595-Y599 PolarHBondContact O-N 3.06Å; Y595-D636 WeakPolarHBondContact CE2-OD1 3.4Å; Y595-D636 PolarHBondContact OH-OD1 2.93Å; Y595-V639 HydrophobicContact CE1-CG2 4.27Å
596	L	89.6	Confident	86.8	Confident	17 Å²	17	60.9 Å²	60.9	9%	0.089	32%	0.32	C	S	.	.	H	α-helix	trans	-64	-41.8	-177.8	-161.6	64.7	0	0	0	111.8	V238 F509 A513 T594 Y599 Y600	V238-L596 HydrophobicContact CB-CD2 3.86Å; V238-L596 HydrophobicContact CB-CG 4.18Å; V238-L596 HydrophobicContact CG1-CD2 3.61Å; V238-L596 HydrophobicContact CG1-CG 3.91Å; V238-L596 HydrophobicContact CG2-CB 4.15Å; V238-L596 HydrophobicContact CG2-CD2 3.85Å; V238-L596 HydrophobicContact CG2-CG 3.65Å; F509-L596 HydrophobicContact CD1-CD1 3.71Å; F509-L596 HydrophobicContact CE1-CD1 3.43Å; F509-L596 VanDerWaalsContact CE1-CD1 3.43Å; F509-L596 HydrophobicContact CE2-CD1 4.39Å; F509-L596 HydrophobicContact CG-CD1 4.32Å; F509-L596 HydrophobicContact CZ-CD1 3.8Å; A513-L596 HydrophobicContact CB-CD1 3.85Å; A513-L596 HydrophobicContact CB-CD2 3.91Å; T594-L596 PolarHBondContact O-N 3.22Å; L596-Y599 PolarHBondContact O-N 3.5Å; L596-Y600 HydrophobicContact CD1-CD2 4.17Å; L596-Y600 HydrophobicContact CD1-CE2 3.76Å; L596-Y600 HydrophobicContact CG-CD2 4.25Å; L596-Y600 HydrophobicContact CG-CE2 4.26Å; L596-Y600 WeakPolarHBondContact O-CD2 3.49Å; L596-Y600 PolarHBondContact O-N 3.24Å; L596-Y600 VanDerWaalsContact O-N 3.17Å
597	A	88.3	Confident	85.5	Confident	54 Å²	54	67.9 Å²	67.9	45%	0.446	36%	0.358	S	S	.	.	H	α-helix	trans	-65.1	-39	176.3	0	0	0	0	0	112.1	T594 Y595 N601	T594-A597 PolarHBondContact O-N 2.87Å; Y595-A597 PolarHBondContact O-N 3.05Å; A597-N601 PolarHBondContact O-N 2.96Å; A597-N601 VanDerWaalsContact O-N 3.12Å
598	Q	90.6	Very high	84.7	Confident	116 Å²	116	65.9 Å²	65.9	54%	0.542	35%	0.349	S	S	.	.	H	α-helix	trans	-68.9	-35.8	174.5	-73.9	173	-0.5	0	0	112.2	T594 Y595 Y600 N601	T594-Q598 WeakPolarHBondContact O-CB 3.46Å; T594-Q598 VanDerWaalsContact O-CG 3.26Å; T594-Q598 WeakPolarHBondContact O-CG 3.29Å; T594-Q598 PolarHBondContact O-N 3.35Å; Y595-Q598 PolarHBondContact O-N 3.39Å; Q598-Y600 VanDerWaalsContact C-N 3.35Å; Q598-N601 WeakPolarHBondContact O-CB 3.45Å; Q598-N601 PolarHBondContact O-N 3.21Å; Q598-N601 PolarHBondContact O-ND2 3.5Å; Q598-N601 PolarHBondContact O-OD1 3.12Å
599	Y	91.9	Very high	84.5	Confident	22 Å²	22	64.2 Å²	64.2	9%	0.086	34%	0.34	C	S	.	.	H	α-helix	trans	-62.6	-43	177.9	-175.9	-93	0	0	0	111.5	F509 Y595 L596 F620 Q624 V639	F509-Y599 HydrophobicContact CB-CE1 4.4Å; F509-Y599 AromaticContact CD1-CD1 3.48Å; F509-Y599 HydrophobicContact CD1-CD1 3.48Å; F509-Y599 VanDerWaalsContact CD1-CD1 3.48Å; F509-Y599 HydrophobicContact CD1-CD2 4.25Å; F509-Y599 AromaticContact CD1-CE1 3.52Å; F509-Y599 HydrophobicContact CD1-CE1 3.52Å; F509-Y599 HydrophobicContact CD1-CE2 4.33Å; F509-Y599 AromaticContact CD1-CG 3.85Å; F509-Y599 HydrophobicContact CD1-CG 3.85Å; F509-Y599 AromaticContact CD1-CZ 3.98Å; F509-Y599 AromaticContact CE1-CD1 3.89Å; F509-Y599 HydrophobicContact CE1-CD1 3.89Å; F509-Y599 HydrophobicContact CE1-CD2 4.07Å; F509-Y599 HydrophobicContact CE1-CE1 4.27Å; F509-Y599 HydrophobicContact CE1-CE2 4.49Å; F509-Y599 AromaticContact CE1-CG 3.76Å; F509-Y599 HydrophobicContact CE1-CG 3.76Å; F509-Y599 HydrophobicContact CG-CE1 4.39Å; Y595-Y599 WeakPolarHBondContact O-CB 3.49Å; Y595-Y599 PolarHBondContact O-N 3.06Å; L596-Y599 PolarHBondContact O-N 3.5Å; Y599-F620 HydrophobicContact CD1-CE2 4.41Å; Y599-F620 HydrophobicContact CD1-CZ 4.04Å; Y599-F620 HydrophobicContact CE1-CE1 4.5Å; Y599-F620 HydrophobicContact CE1-CE2 4.29Å; Y599-F620 AromaticContact CE1-CZ 3.53Å; Y599-F620 HydrophobicContact CE1-CZ 3.53Å; Y599-F620 WeakPolarHBondContact O-CE2 3.43Å; Y599-Q624 PolarHBondContact O-NE2 2.52Å; Y599-V639 HydrophobicContact CD2-CG1 4.41Å; Y599-V639 HydrophobicContact CE2-CG1 3.92Å
600	Y	91.1	Very high	84.3	Confident	14 Å²	14	64.2 Å²	64.2	6%	0.055	34%	0.34	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.7	8.3	-179.6	-70.6	-70.3	0	0	0	114.9	V238 L507 F509 A510 L596 Q598 E602 L603 F620	V238-Y600 HydrophobicContact CG1-CD2 4.19Å; V238-Y600 HydrophobicContact CG1-CE2 4.33Å; V238-Y600 HydrophobicContact CG2-CD2 4.25Å; L507-Y600 HydrophobicContact CD2-CD1 4.22Å; L507-Y600 HydrophobicContact CD2-CE1 3.69Å; F509-Y600 WeakPolarHBondContact CB-OH 3.11Å; F509-Y600 HydrophobicContact CD1-CE2 4.09Å; A510-Y600 HydrophobicContact CB-CE2 3.63Å; A510-Y600 WeakPolarHBondContact CB-OH 3.46Å; A510-Y600 PolarHBondContact N-OH 3.44Å; L596-Y600 HydrophobicContact CD1-CD2 4.17Å; L596-Y600 HydrophobicContact CD1-CE2 3.76Å; L596-Y600 HydrophobicContact CG-CD2 4.25Å; L596-Y600 HydrophobicContact CG-CE2 4.26Å; L596-Y600 WeakPolarHBondContact O-CD2 3.49Å; L596-Y600 PolarHBondContact O-N 3.24Å; L596-Y600 VanDerWaalsContact O-N 3.17Å; Q598-Y600 VanDerWaalsContact C-N 3.35Å; Y600-E602 PolarHBondContact O-N 3.45Å; Y600-E602 VanDerWaalsContact O-N 3.13Å; Y600-L603 HydrophobicContact CD1-CB 4.49Å; Y600-L603 HydrophobicContact CD1-CD2 4.03Å; Y600-L603 PolarHBondContact O-N 2.81Å; Y600-F620 HydrophobicContact CD1-CE1 4.49Å; Y600-F620 AromaticContact CD1-CE2 3.92Å; Y600-F620 HydrophobicContact CD1-CE2 3.92Å; Y600-F620 AromaticContact CD1-CZ 3.79Å; Y600-F620 HydrophobicContact CD1-CZ 3.79Å; Y600-F620 HydrophobicContact CE1-CE1 4.17Å; Y600-F620 HydrophobicContact CE1-CE2 4.32Å; Y600-F620 AromaticContact CE1-CZ 3.71Å; Y600-F620 HydrophobicContact CE1-CZ 3.71Å
601	N	87.3	Confident	84.4	Confident	97 Å²	97	63.1 Å²	63.1	52%	0.519	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-29.8	-174	67.4	-14.7	0	0	0	114.8	A597 Q598	A597-N601 PolarHBondContact O-N 2.96Å; A597-N601 VanDerWaalsContact O-N 3.12Å; Q598-N601 WeakPolarHBondContact O-CB 3.45Å; Q598-N601 PolarHBondContact O-N 3.21Å; Q598-N601 PolarHBondContact O-ND2 3.5Å; Q598-N601 PolarHBondContact O-OD1 3.12Å
602	E	84.3	Confident	84.5	Confident	57 Å²	57	58 Å²	58	27%	0.266	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.1	-9.2	178.6	-70.4	-173.8	-170.7	0	0	113	K423 Y600 I604 S623	K423-E602 IonicContact NZ-OE1 3.85Å; K423-E602 PolarHBondContact NZ-OE1 2.84Å; K423-E602 IonicContact NZ-OE2 3.62Å; Y600-E602 PolarHBondContact O-N 3.45Å; Y600-E602 VanDerWaalsContact O-N 3.13Å; E602-I604 PolarHBondContact O-N 2.67Å; E602-S623 VanDerWaalsContact CD-OG 3.25Å; E602-S623 PolarHBondContact OE1-OG 2.97Å; E602-S623 WeakPolarHBondContact OE2-CB 3.39Å; E602-S623 PolarHBondContact OE2-OG 2.78Å
603	L	88.1	Confident	84.6	Confident	12 Å²	12	53.9 Å²	53.9	6%	0.063	29%	0.291	C	S	.	.			trans	-90.8	104.1	175.7	-178.2	68.3	0	0	0	109.9	T241 L507 Y600 L605 W616 I617 F620	T241-L603 HydrophobicContact CG2-CD2 4.17Å; L507-L603 HydrophobicContact CD2-CD2 3.36Å; Y600-L603 HydrophobicContact CD1-CB 4.49Å; Y600-L603 HydrophobicContact CD1-CD2 4.03Å; Y600-L603 PolarHBondContact O-N 2.81Å; L603-L605 HydrophobicContact CD1-CD2 3.96Å; L603-L605 HydrophobicContact CD1-CG 4.48Å; L603-L605 HydrophobicContact CD2-CG 4.49Å; L603-L605 HydrophobicContact CG-CD2 4.28Å; L603-L605 HydrophobicContact CG-CG 4.26Å; L603-W616 HydrophobicContact CD1-CB 4.4Å; L603-I617 HydrophobicContact CD1-CD1 4.32Å; L603-F620 HydrophobicContact CB-CB 4.3Å; L603-F620 HydrophobicContact CB-CD2 3.97Å; L603-F620 HydrophobicContact CB-CG 4.21Å; L603-F620 HydrophobicContact CD1-CB 4.03Å; L603-F620 HydrophobicContact CD1-CG 4.48Å
604	I	78.9	Confident	85.1	Confident	87 Å²	87	49.8 Å²	49.8	45%	0.446	26%	0.263	S	S	.	.			trans	-110.2	102.4	177.3	-55.1	175.9	0	0	0	108.6	E602 N606 W616	E602-I604 PolarHBondContact O-N 2.67Å; I604-N606 WeakPolarHBondContact CG2-OD1 3.3Å; I604-N606 PolarHBondContact O-N 3.06Å; I604-W616 HydrophobicContact CB-CE3 4.5Å; I604-W616 HydrophobicContact CB-CZ3 4.47Å
605	L	81.1	Confident	85.2	Confident	25 Å²	25	48.9 Å²	48.9	13%	0.131	25%	0.253	C	S	.	.			trans	-87.9	100.4	172.2	-59.2	-176.6	0	0	0	109	T241 L245 L603 H613	T241-L605 HydrophobicContact CG2-CD1 3.71Å; T241-L605 HydrophobicContact CG2-CG 4.22Å; L245-L605 HydrophobicContact CB-CD1 3.74Å; L245-L605 HydrophobicContact CD1-CD1 4.12Å; L245-L605 HydrophobicContact CG-CD1 4.39Å; L603-L605 HydrophobicContact CD1-CD2 3.96Å; L603-L605 HydrophobicContact CD1-CG 4.48Å; L603-L605 HydrophobicContact CD2-CG 4.49Å; L603-L605 HydrophobicContact CG-CD2 4.28Å; L603-L605 HydrophobicContact CG-CG 4.26Å; L605-H613 HydrophobicContact CD2-CB 4.17Å
606	N	69.3	Low	85.2	Confident	73 Å²	73	51.9 Å²	51.9	39%	0.39	27%	0.265	S	S	.	.			trans	-79.4	158	173.9	-70	-26.8	0	0	0	110.9	I604 V608 H613	I604-N606 WeakPolarHBondContact CG2-OD1 3.3Å; I604-N606 PolarHBondContact O-N 3.06Å; N606-V608 HydrophobicContact CB-CG2 3.52Å; N606-V608 PolarHBondContact O-N 2.6Å; N606-H613 PolarHBondContact O-NE2 2.85Å
607	N	64.4	Low	85.3	Confident	153 Å²	153	51.6 Å²	51.6	82%	0.818	26%	0.263	S	S	*	.	S	Bend	trans	-72.3	54.1	173	-68.1	-24.2	0	0	0	112.1
608	V	71.1	Confident	85.6	Confident	64 Å²	64	50 Å²	50	39%	0.388	25%	0.246	S	C	.	.	S	Bend	trans	-111.8	-178.3	176.4	-138.3	0	0	0	0	109.7	N606 F610 E612	N606-V608 HydrophobicContact CB-CG2 3.52Å; N606-V608 PolarHBondContact O-N 2.6Å; V608-F610 PolarHBondContact O-N 2.92Å; V608-E612 WeakPolarHBondContact CB-OE2 3.47Å; V608-E612 WeakPolarHBondContact CG1-OE2 3.28Å
609	F	84.5	Confident	85.7	Confident	74 Å²	74	46.2 Å²	46.2	33%	0.325	23%	0.23	S	C	.	.			trans	-60.7	138.8	-179.9	-64.3	-71.4	0	0	0	110.5	L255 Q259 L263 V611 E612	L255-F609 HydrophobicContact CD1-CD1 3.37Å; L255-F609 HydrophobicContact CD1-CE1 3.32Å; L255-F609 HydrophobicContact CD1-CG 4.25Å; L255-F609 HydrophobicContact CD1-CZ 4.17Å; Q259-F609 HydrophobicContact CB-CZ 4.25Å; Q259-F609 HydrophobicContact CG-CZ 4.26Å; L263-F609 HydrophobicContact CD1-CB 3.87Å; L263-F609 HydrophobicContact CD1-CD1 4.43Å; L263-F609 HydrophobicContact CD1-CD2 3.77Å; L263-F609 HydrophobicContact CD1-CE2 4.38Å; L263-F609 HydrophobicContact CD1-CG 3.77Å; L263-F609 HydrophobicContact CD2-CD2 3.85Å; L263-F609 HydrophobicContact CD2-CG 4.5Å; L263-F609 HydrophobicContact CG-CD2 4.28Å; F609-V611 HydrophobicContact CB-CG1 4.38Å; F609-V611 PolarHBondContact O-N 2.75Å; F609-E612 PolarHBondContact N-OE2 3.34Å; F609-E612 WeakPolarHBondContact O-CB 3.32Å; F609-E612 PolarHBondContact O-N 3.04Å
610	F	88.3	Confident	85.7	Confident	6 Å²	6	45.7 Å²	45.7	3%	0.026	23%	0.228	C	C	.	.	G	3₁₀ helix	trans	-50.8	-37.8	-176.6	-177.9	-96.6	0	0	0	113.6	L245 C249 T252 H470 V502 W506 V608 E612 H613	L245-F610 HydrophobicContact CD1-CE2 3.75Å; L245-F610 HydrophobicContact CD1-CZ 4.5Å; C249-F610 VanDerWaalsContact CA-CD2 3.44Å; C249-F610 HydrophobicContact CB-CD2 3.84Å; C249-F610 HydrophobicContact CB-CE2 3.52Å; C249-F610 HydrophobicContact CB-CZ 4.09Å; T252-F610 HydrophobicContact CG2-CB 3.48Å; T252-F610 VanDerWaalsContact CG2-CB 3.48Å; T252-F610 HydrophobicContact CG2-CD1 3.91Å; T252-F610 HydrophobicContact CG2-CG 3.79Å; H470-F610 HydrophobicContact CB-CD1 3.99Å; H470-F610 HydrophobicContact CB-CE1 4.27Å; H470-F610 AromaticContact CE1-CE1 3.93Å; H470-F610 AromaticContact CG-CE1 3.89Å; H470-F610 AromaticContact ND1-CD1 3.89Å; H470-F610 AromaticContact ND1-CE1 3.35Å; H470-F610 VanDerWaalsContact ND1-CE1 3.35Å; H470-F610 WeakPolarHBondContact ND1-CE1 3.27Å; V502-F610 HydrophobicContact CG1-CE2 4.01Å; V502-F610 HydrophobicContact CG1-CZ 3.62Å; V502-F610 HydrophobicContact CG2-CZ 4.23Å; W506-F610 AromaticContact CH2-CE1 3.97Å; W506-F610 HydrophobicContact CH2-CE1 3.97Å; W506-F610 HydrophobicContact CH2-CE2 4.42Å; W506-F610 AromaticContact CH2-CZ 3.65Å; W506-F610 HydrophobicContact CH2-CZ 3.65Å; W506-F610 HydrophobicContact CZ2-CE1 4.48Å; W506-F610 HydrophobicContact CZ2-CZ 4.21Å; W506-F610 HydrophobicContact CZ3-CE2 4.31Å; W506-F610 AromaticContact CZ3-CZ 3.95Å; W506-F610 HydrophobicContact CZ3-CZ 3.95Å; V608-F610 PolarHBondContact O-N 2.92Å; F610-E612 PolarHBondContact O-N 3.5Å; F610-H613 AromaticContact CD2-ND1 3.84Å; F610-H613 VanDerWaalsContact O-CB 3.26Å; F610-H613 WeakPolarHBondContact O-CB 3.46Å; F610-H613 PolarHBondContact O-N 3Å
611	V	88.9	Confident	85.8	Confident	5 Å²	5	49.2 Å²	49.2	3%	0.03	24%	0.242	C	C	.	.	G	3₁₀ helix	trans	-60.3	-27.1	178.7	74.8	0	0	0	0	113.3	L263 M467 H470 L471 F609 H613 L614	L263-V611 HydrophobicContact CB-CG1 4.31Å; L263-V611 HydrophobicContact CD1-CG1 3.77Å; L263-V611 HydrophobicContact CD2-CG1 4.38Å; L263-V611 HydrophobicContact CG-CG1 4.37Å; M467-V611 HydrophobicContact CB-CG2 3.93Å; M467-V611 HydrophobicContact CE-CG1 4.27Å; M467-V611 HydrophobicContact CE-CG2 3.5Å; M467-V611 HydrophobicContact CG-CG2 3.96Å; H470-V611 HydrophobicContact CB-CB 4.15Å; H470-V611 HydrophobicContact CB-CG2 4.05Å; L471-V611 HydrophobicContact CD2-CB 4.24Å; L471-V611 HydrophobicContact CD2-CG1 4.13Å; L471-V611 HydrophobicContact CD2-CG2 4.07Å; F609-V611 HydrophobicContact CB-CG1 4.38Å; F609-V611 PolarHBondContact O-N 2.75Å; V611-H613 VanDerWaalsContact C-N 3.26Å; V611-H613 PolarHBondContact O-N 3.18Å; V611-L614 HydrophobicContact CG2-CD1 3.75Å; V611-L614 VanDerWaalsContact O-CB 3.3Å; V611-L614 WeakPolarHBondContact O-CB 3.09Å; V611-L614 WeakPolarHBondContact O-CD1 3.48Å; V611-L614 VanDerWaalsContact O-CG 3.27Å; V611-L614 WeakPolarHBondContact O-CG 3.32Å; V611-L614 PolarHBondContact O-N 2.64Å
612	E	87.8	Confident	86.1	Confident	43 Å²	43	47.3 Å²	47.3	20%	0.201	23%	0.227	C	C	.	.	G	3₁₀ helix	trans	-74	-19.9	177.8	-66.7	175.8	114.4	0	0	111.6	L263 R266 V608 F609 F610 L614 E615 W616	L263-E612 HydrophobicContact CD2-CG 4.07Å; R266-E612 IonicContact NH1-OE1 2.98Å; R266-E612 PolarHBondContact NH1-OE1 3.14Å; V608-E612 WeakPolarHBondContact CB-OE2 3.47Å; V608-E612 WeakPolarHBondContact CG1-OE2 3.28Å; F609-E612 PolarHBondContact N-OE2 3.34Å; F609-E612 WeakPolarHBondContact O-CB 3.32Å; F609-E612 PolarHBondContact O-N 3.04Å; F610-E612 PolarHBondContact O-N 3.5Å; E612-L614 PolarHBondContact O-N 2.86Å; E612-E615 PolarHBondContact O-N 3.08Å; E612-W616 VanDerWaalsContact O-CD1 3.23Å
613	H	90.9	Very high	86.5	Confident	1 Å²	1	44.8 Å²	44.8	1%	0.005	22%	0.216	C	C	.	.	H	α-helix	trans	-64.9	-18.6	171.4	-60.1	158.2	0	0	0	113	S248 W506 L605 N606 F610 V611 E615 W616 I617	S248-H613 PolarHBondContact OG-CE1 3.45Å; S248-H613 VanDerWaalsContact OG-CE1 3.25Å; W506-H613 HydrophobicContact CH2-CB 4.4Å; W506-H613 HydrophobicContact CZ3-CB 3.78Å; L605-H613 HydrophobicContact CD2-CB 4.17Å; N606-H613 PolarHBondContact O-NE2 2.85Å; F610-H613 AromaticContact CD2-ND1 3.84Å; F610-H613 VanDerWaalsContact O-CB 3.26Å; F610-H613 WeakPolarHBondContact O-CB 3.46Å; F610-H613 PolarHBondContact O-N 3Å; V611-H613 VanDerWaalsContact C-N 3.26Å; V611-H613 PolarHBondContact O-N 3.18Å; H613-E615 VanDerWaalsContact C-N 3.31Å; H613-E615 PolarHBondContact O-N 2.92Å; H613-W616 PolarHBondContact O-N 3.47Å; H613-I617 WeakPolarHBondContact O-CG2 3.27Å; H613-I617 PolarHBondContact O-N 2.77Å
614	L	91.2	Very high	86.8	Confident	25 Å²	25	44.9 Å²	44.9	13%	0.131	22%	0.216	C	C	.	.	H	α-helix	trans	-59.4	-39.1	175.9	-66.2	173.8	0	0	0	112.7	M467 W506 V611 E612 I617 W618	M467-L614 HydrophobicContact CG-CD1 4.23Å; W506-L614 HydrophobicContact CH2-CD2 3.63Å; W506-L614 HydrophobicContact CH2-CG 4.36Å; W506-L614 HydrophobicContact CZ2-CD2 3.59Å; V611-L614 HydrophobicContact CG2-CD1 3.75Å; V611-L614 VanDerWaalsContact O-CB 3.3Å; V611-L614 WeakPolarHBondContact O-CB 3.09Å; V611-L614 WeakPolarHBondContact O-CD1 3.48Å; V611-L614 VanDerWaalsContact O-CG 3.27Å; V611-L614 WeakPolarHBondContact O-CG 3.32Å; V611-L614 PolarHBondContact O-N 2.64Å; E612-L614 PolarHBondContact O-N 2.86Å; L614-I617 VanDerWaalsContact O-CG2 3.3Å; L614-I617 WeakPolarHBondContact O-CG2 3.35Å; L614-W618 WeakPolarHBondContact O-CB 3.38Å; L614-W618 PolarHBondContact O-N 2.66Å; L614-W618 VanDerWaalsContact O-N 3.14Å
615	E	91	Very high	87.5	Confident	58 Å²	58	42.3 Å²	42.3	27%	0.271	20%	0.202	S	C	.	.	H	α-helix	trans	-71.1	-37.8	177.1	-65.7	-174.1	-172.7	0	0	111.4	K298 H299 E612 H613 T619	K298-E615 WeakPolarHBondContact CE-OE1 3.36Å; K298-E615 WeakPolarHBondContact CE-OE2 3.33Å; K298-E615 IonicContact NZ-OE1 3.76Å; K298-E615 IonicContact NZ-OE2 2.79Å; H299-E615 IonicContact CE1-OE1 2.7Å; H299-E615 PolarHBondContact CE1-OE1 3.37Å; H299-E615 IonicContact ND1-OE1 3.63Å; H299-E615 PolarHBondContact ND1-OE1 3.33Å; H299-E615 IonicContact NE2-OE1 2.75Å; E612-E615 PolarHBondContact O-N 3.08Å; H613-E615 VanDerWaalsContact C-N 3.31Å; H613-E615 PolarHBondContact O-N 2.92Å; E615-T619 WeakPolarHBondContact O-CB 3.38Å; E615-T619 PolarHBondContact O-N 2.96Å; E615-T619 PolarHBondContact O-OG1 2.92Å
616	W	91.3	Very high	88.1	Confident	87 Å²	87	41.7 Å²	41.7	33%	0.33	20%	0.199	S	C	.	.	H	α-helix	trans	-69.2	-45.4	179.3	-66.7	107.1	0	0	0	112	L603 I604 E612 H613 W618 T619 F620	L603-W616 HydrophobicContact CD1-CB 4.4Å; I604-W616 HydrophobicContact CB-CE3 4.5Å; I604-W616 HydrophobicContact CB-CZ3 4.47Å; E612-W616 VanDerWaalsContact O-CD1 3.23Å; H613-W616 PolarHBondContact O-N 3.47Å; W616-W618 VanDerWaalsContact C-N 3.3Å; W616-W618 PolarHBondContact O-N 2.98Å; W616-T619 WeakPolarHBondContact O-CB 3.47Å; W616-T619 PolarHBondContact O-N 3.33Å; W616-F620 PolarHBondContact O-N 2.85Å
617	I	92	Very high	89.2	Confident	10 Å²	10	41.8 Å²	41.8	5%	0.051	20%	0.196	C	C	.	.	H	α-helix	trans	-65.2	-37.2	176.8	-166.8	63.5	0	0	0	111.1	W506 L603 H613 L614 F620 R621	W506-I617 HydrophobicContact CB-CD1 3.96Å; W506-I617 HydrophobicContact CB-CG1 4.2Å; W506-I617 HydrophobicContact CD2-CB 4.38Å; W506-I617 HydrophobicContact CD2-CG1 4Å; W506-I617 HydrophobicContact CD2-CG2 4.32Å; W506-I617 HydrophobicContact CE3-CB 4.04Å; W506-I617 HydrophobicContact CE3-CD1 4.48Å; W506-I617 HydrophobicContact CE3-CG1 4.06Å; W506-I617 HydrophobicContact CE3-CG2 4.16Å; W506-I617 HydrophobicContact CG-CD1 4.37Å; W506-I617 HydrophobicContact CG-CG1 4.08Å; W506-I617 HydrophobicContact CH2-CG2 4.31Å; W506-I617 HydrophobicContact CZ2-CG2 4.45Å; W506-I617 HydrophobicContact CZ3-CB 4.37Å; W506-I617 HydrophobicContact CZ3-CG2 4.16Å; L603-I617 HydrophobicContact CD1-CD1 4.32Å; H613-I617 WeakPolarHBondContact O-CG2 3.27Å; H613-I617 PolarHBondContact O-N 2.77Å; L614-I617 VanDerWaalsContact O-CG2 3.3Å; L614-I617 WeakPolarHBondContact O-CG2 3.35Å; I617-F620 HydrophobicContact CD1-CD1 4.13Å; I617-F620 PolarHBondContact O-N 2.99Å; I617-R621 WeakPolarHBondContact O-CB 3.22Å; I617-R621 WeakPolarHBondContact O-CG 3.44Å; I617-R621 PolarHBondContact O-N 2.78Å
618	W	93.3	Very high	90.4	Very high	22 Å²	22	35.3 Å²	35.3	8%	0.083	16%	0.16	C	C	.	.	H	α-helix	trans	-64.1	-45.4	172.7	172.6	-114.2	0	0	0	111.9	Q296 A297 G300 F302 I420 L614 W616 F620 R621 R622 M625	Q296-W618 PolarHBondContact O-NE1 3.38Å; A297-W618 PolarHBondContact O-NE1 3.43Å; G300-W618 VanDerWaalsContact N-CD1 3.29Å; F302-W618 AromaticContact CE2-CH2 3.6Å; F302-W618 HydrophobicContact CE2-CH2 3.6Å; F302-W618 HydrophobicContact CE2-CZ2 4.09Å; F302-W618 HydrophobicContact CE2-CZ3 4.13Å; F302-W618 AromaticContact CZ-CH2 3.47Å; F302-W618 HydrophobicContact CZ-CH2 3.47Å; F302-W618 VanDerWaalsContact CZ-CH2 3.47Å; F302-W618 AromaticContact CZ-CZ2 3.68Å; F302-W618 HydrophobicContact CZ-CZ2 3.68Å; F302-W618 HydrophobicContact CZ-CZ3 4.42Å; I420-W618 HydrophobicContact CG2-CZ2 4.5Å; L614-W618 WeakPolarHBondContact O-CB 3.38Å; L614-W618 PolarHBondContact O-N 2.66Å; L614-W618 VanDerWaalsContact O-N 3.14Å; W616-W618 VanDerWaalsContact C-N 3.3Å; W616-W618 PolarHBondContact O-N 2.98Å; W618-F620 PolarHBondContact O-N 3.29Å; W618-R621 HydrophobicContact CE3-CB 4.33Å; W618-R621 PolarHBondContact O-N 3.45Å; W618-R621 VanDerWaalsContact O-N 3.13Å; W618-R622 HydrophobicContact CH2-CB 4.44Å; W618-R622 HydrophobicContact CZ2-CB 4.08Å; W618-R622 WeakPolarHBondContact O-CG 3.48Å; W618-R622 PolarHBondContact O-N 3.16Å; W618-M625 HydrophobicContact CH2-SD 4.22Å; W618-M625 HydrophobicContact CZ3-SD 4.38Å
619	T	92.9	Very high	91.4	Very high	35 Å²	35	34.6 Å²	34.6	22%	0.215	15%	0.154	C	C	.	.	H	α-helix	trans	-57.8	-40.4	177.1	-65	0	0	0	0	111.7	E615 W616 R622 S623	E615-T619 WeakPolarHBondContact O-CB 3.38Å; E615-T619 PolarHBondContact O-N 2.96Å; E615-T619 PolarHBondContact O-OG1 2.92Å; W616-T619 WeakPolarHBondContact O-CB 3.47Å; W616-T619 PolarHBondContact O-N 3.33Å; T619-R622 WeakPolarHBondContact O-CG 3.43Å; T619-S623 PolarHBondContact O-N 3.08Å
620	F	93	Very high	91.6	Very high	11 Å²	11	32.7 Å²	32.7	5%	0.048	16%	0.156	C	C	.	.	H	α-helix	trans	-64.7	-50.6	173.1	171.1	-103.3	0	0	0	112	Y599 Y600 L603 W616 I617 W618 R622 S623 Q624	Y599-F620 HydrophobicContact CD1-CE2 4.41Å; Y599-F620 HydrophobicContact CD1-CZ 4.04Å; Y599-F620 HydrophobicContact CE1-CE1 4.5Å; Y599-F620 HydrophobicContact CE1-CE2 4.29Å; Y599-F620 AromaticContact CE1-CZ 3.53Å; Y599-F620 HydrophobicContact CE1-CZ 3.53Å; Y599-F620 WeakPolarHBondContact O-CE2 3.43Å; Y600-F620 HydrophobicContact CD1-CE1 4.49Å; Y600-F620 AromaticContact CD1-CE2 3.92Å; Y600-F620 HydrophobicContact CD1-CE2 3.92Å; Y600-F620 AromaticContact CD1-CZ 3.79Å; Y600-F620 HydrophobicContact CD1-CZ 3.79Å; Y600-F620 HydrophobicContact CE1-CE1 4.17Å; Y600-F620 HydrophobicContact CE1-CE2 4.32Å; Y600-F620 AromaticContact CE1-CZ 3.71Å; Y600-F620 HydrophobicContact CE1-CZ 3.71Å; L603-F620 HydrophobicContact CB-CB 4.3Å; L603-F620 HydrophobicContact CB-CD2 3.97Å; L603-F620 HydrophobicContact CB-CG 4.21Å; L603-F620 HydrophobicContact CD1-CB 4.03Å; L603-F620 HydrophobicContact CD1-CG 4.48Å; W616-F620 PolarHBondContact O-N 2.85Å; I617-F620 HydrophobicContact CD1-CD1 4.13Å; I617-F620 PolarHBondContact O-N 2.99Å; W618-F620 PolarHBondContact O-N 3.29Å; F620-R622 PolarHBondContact O-N 2.91Å; F620-S623 WeakPolarHBondContact O-CB 3.27Å; F620-S623 PolarHBondContact O-N 3.45Å; F620-S623 VanDerWaalsContact O-N 3.13Å; F620-Q624 HydrophobicContact CE1-CG 4.19Å; F620-Q624 HydrophobicContact CE2-CG 4.08Å; F620-Q624 HydrophobicContact CZ-CG 3.89Å; F620-Q624 WeakPolarHBondContact O-CG 3.34Å; F620-Q624 PolarHBondContact O-N 3.21Å
621	R	93	Very high	91.6	Very high	89 Å²	89	39.1 Å²	39.1	34%	0.336	20%	0.198	S	C	.	.	H	α-helix	trans	-58.8	-46.8	180	-75.2	177.9	178.6	-165.2	-2.3	112.3	D505 I617 W618 S623 Q624 M625	D505-R621 PolarHBondContact O-NH2 3.02Å; I617-R621 WeakPolarHBondContact O-CB 3.22Å; I617-R621 WeakPolarHBondContact O-CG 3.44Å; I617-R621 PolarHBondContact O-N 2.78Å; W618-R621 HydrophobicContact CE3-CB 4.33Å; W618-R621 PolarHBondContact O-N 3.45Å; W618-R621 VanDerWaalsContact O-N 3.13Å; R621-S623 VanDerWaalsContact C-N 3.27Å; R621-S623 PolarHBondContact O-N 3.22Å; R621-Q624 PolarHBondContact O-N 3.4Å; R621-Q624 VanDerWaalsContact O-N 3.16Å; R621-M625 WeakPolarHBondContact O-CG 3.35Å; R621-M625 PolarHBondContact O-N 2.84Å
622	R	93	Very high	91.5	Very high	56 Å²	56	41.2 Å²	41.2	21%	0.211	21%	0.208	C	C	.	.	H	α-helix	trans	-62.2	-33.8	177	73.1	177.9	-178	178.8	3.5	112.4	A297 I420 W618 T619 F620 M625 E626	A297-R622 PolarHBondContact O-NH1 3.31Å; I420-R622 HydrophobicContact CG2-CB 4.34Å; W618-R622 HydrophobicContact CH2-CB 4.44Å; W618-R622 HydrophobicContact CZ2-CB 4.08Å; W618-R622 WeakPolarHBondContact O-CG 3.48Å; W618-R622 PolarHBondContact O-N 3.16Å; T619-R622 WeakPolarHBondContact O-CG 3.43Å; F620-R622 PolarHBondContact O-N 2.91Å; R622-M625 WeakPolarHBondContact O-CB 3.47Å; R622-M625 PolarHBondContact O-N 3.06Å; R622-E626 WeakPolarHBondContact O-CB 3.48Å; R622-E626 PolarHBondContact O-N 3.44Å
623	S	93.4	Very high	91.7	Very high	4 Å²	4	42 Å²	42	3%	0.028	22%	0.222	C	C	.	.	H	α-helix	trans	-67.8	-39.8	175.6	-179.3	0	0	0	0	111.9	E602 T619 F620 R621 M625 E626 K627	E602-S623 VanDerWaalsContact CD-OG 3.25Å; E602-S623 PolarHBondContact OE1-OG 2.97Å; E602-S623 WeakPolarHBondContact OE2-CB 3.39Å; E602-S623 PolarHBondContact OE2-OG 2.78Å; T619-S623 PolarHBondContact O-N 3.08Å; F620-S623 WeakPolarHBondContact O-CB 3.27Å; F620-S623 PolarHBondContact O-N 3.45Å; F620-S623 VanDerWaalsContact O-N 3.13Å; R621-S623 VanDerWaalsContact C-N 3.27Å; R621-S623 PolarHBondContact O-N 3.22Å; S623-M625 VanDerWaalsContact C-N 3.35Å; S623-E626 PolarHBondContact O-N 2.89Å; S623-K627 WeakPolarHBondContact O-CG 3.38Å; S623-K627 PolarHBondContact O-N 2.9Å
624	Q	93.1	Very high	91.6	Very high	15 Å²	15	47 Å²	47	7%	0.07	25%	0.248	C	C	.	.	H	α-helix	trans	-65.8	-39	173.1	-58.6	-56.7	-31.2	0	0	111.6	Y599 F620 R621 E626 K627 K628 T644	Y599-Q624 PolarHBondContact O-NE2 2.52Å; F620-Q624 HydrophobicContact CE1-CG 4.19Å; F620-Q624 HydrophobicContact CE2-CG 4.08Å; F620-Q624 HydrophobicContact CZ-CG 3.89Å; F620-Q624 WeakPolarHBondContact O-CG 3.34Å; F620-Q624 PolarHBondContact O-N 3.21Å; R621-Q624 PolarHBondContact O-N 3.4Å; R621-Q624 VanDerWaalsContact O-N 3.16Å; Q624-E626 VanDerWaalsContact C-N 3.34Å; Q624-K627 PolarHBondContact O-N 2.85Å; Q624-K628 PolarHBondContact O-N 3.09Å; Q624-T644 HydrophobicContact CB-CG2 4.14Å
625	M	93.2	Very high	91.6	Very high	32 Å²	32	47.8 Å²	47.8	16%	0.158	25%	0.252	C	S	.	.	H	α-helix	trans	-60.7	-43.5	171.6	-66.7	167	62.7	0	0	111.5	V309 F421 W618 R621 R622 S623 K628	V309-M625 HydrophobicContact CB-CB 4.39Å; V309-M625 HydrophobicContact CG2-CB 4Å; V309-M625 HydrophobicContact CG2-CE 4.09Å; F421-M625 HydrophobicContact CE1-CB 3.9Å; F421-M625 HydrophobicContact CE1-CE 4.22Å; F421-M625 HydrophobicContact CZ-CE 3.98Å; W618-M625 HydrophobicContact CH2-SD 4.22Å; W618-M625 HydrophobicContact CZ3-SD 4.38Å; R621-M625 WeakPolarHBondContact O-CG 3.35Å; R621-M625 PolarHBondContact O-N 2.84Å; R622-M625 WeakPolarHBondContact O-CB 3.47Å; R622-M625 PolarHBondContact O-N 3.06Å; S623-M625 VanDerWaalsContact C-N 3.35Å; M625-K628 WeakPolarHBondContact O-CB 3.43Å; M625-K628 PolarHBondContact O-N 3.47Å
626	E	93.8	Very high	91.7	Very high	13 Å²	13	47.7 Å²	47.7	6%	0.061	25%	0.253	C	S	.	.	H	α-helix	trans	-64.8	-40.8	179	-168.1	165.4	-149	0	0	112.3	F421 K423 T424 R622 S623 Q624 K628 L629	F421-E626 WeakPolarHBondContact CA-OE1 2.98Å; F421-E626 HydrophobicContact CB-CG 4.2Å; F421-E626 WeakPolarHBondContact CB-OE1 3.47Å; F421-E626 HydrophobicContact CD1-CB 3.86Å; F421-E626 HydrophobicContact CD1-CG 4.15Å; K423-E626 VanDerWaalsContact CA-OE1 3.25Å; K423-E626 WeakPolarHBondContact CA-OE1 3.3Å; K423-E626 WeakPolarHBondContact CB-OE1 3.39Å; K423-E626 PolarHBondContact N-OE1 3.46Å; T424-E626 PolarHBondContact N-OE1 3.07Å; T424-E626 VanDerWaalsContact OG1-CG 3.26Å; T424-E626 WeakPolarHBondContact OG1-CG 3.11Å; T424-E626 PolarHBondContact OG1-OE1 3.06Å; T424-E626 VanDerWaalsContact OG1-OE1 3.09Å; R622-E626 WeakPolarHBondContact O-CB 3.48Å; R622-E626 PolarHBondContact O-N 3.44Å; S623-E626 PolarHBondContact O-N 2.89Å; Q624-E626 VanDerWaalsContact C-N 3.34Å; E626-K628 PolarHBondContact O-N 3.2Å; E626-L629 WeakPolarHBondContact O-CB 3.49Å; E626-L629 PolarHBondContact O-N 2.93Å
627	K	92.4	Very high	91.7	Very high	75 Å²	75	43.7 Å²	43.7	33%	0.326	24%	0.239	S	C	.	.	H	α-helix	trans	-58.1	-34.1	175.4	-74.9	172.9	-174.3	173.1	0	112.4	S623 Q624 L629 G630 L632	S623-K627 WeakPolarHBondContact O-CG 3.38Å; S623-K627 PolarHBondContact O-N 2.9Å; Q624-K627 PolarHBondContact O-N 2.85Å; K627-L629 PolarHBondContact O-N 3.28Å; K627-G630 PolarHBondContact O-N 2.8Å; K627-G630 VanDerWaalsContact O-N 3.16Å; K627-L632 HydrophobicContact CB-CD2 4.43Å
628	K	91.3	Very high	91.7	Very high	17 Å²	17	43.8 Å²	43.8	7%	0.074	24%	0.239	C	C	.	.	H	α-helix	trans	-63.9	-27.5	175.4	-69.6	179.3	171.6	-174.7	0	113.4	V309 Y319 Q624 M625 E626 G630 L632 S640 T644	V309-K628 HydrophobicContact CG1-CB 3.93Å; V309-K628 HydrophobicContact CG1-CD 4.14Å; Y319-K628 HydrophobicContact CD1-CB 4.15Å; Y319-K628 HydrophobicContact CD1-CD 4.05Å; Y319-K628 HydrophobicContact CD1-CG 4.39Å; Y319-K628 HydrophobicContact CD2-CB 3.96Å; Y319-K628 WeakPolarHBondContact CD2-O 3.36Å; Y319-K628 HydrophobicContact CE1-CB 4.42Å; Y319-K628 HydrophobicContact CE1-CD 3.94Å; Y319-K628 HydrophobicContact CE1-CG 4.22Å; Y319-K628 HydrophobicContact CE2-CB 4.21Å; Y319-K628 HydrophobicContact CE2-CG 4.4Å; Y319-K628 HydrophobicContact CG-CB 3.89Å; Q624-K628 PolarHBondContact O-N 3.09Å; M625-K628 WeakPolarHBondContact O-CB 3.43Å; M625-K628 PolarHBondContact O-N 3.47Å; E626-K628 PolarHBondContact O-N 3.2Å; K628-G630 PolarHBondContact O-N 3.34Å; K628-L632 HydrophobicContact CG-CD1 4.38Å; K628-S640 WeakPolarHBondContact CE-OG 3.46Å; K628-T644 WeakPolarHBondContact CE-OG1 3.39Å; K628-T644 PolarHBondContact NZ-OG1 3.18Å
629	L	91.2	Very high	91.6	Very high	48 Å²	48	42.8 Å²	42.8	25%	0.251	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.7	-13.3	178.4	-57.6	176.5	0	0	0	112.3	V309 I321 F421 T424 E626 K627	V309-L629 HydrophobicContact CG1-CD2 3.74Å; V309-L629 HydrophobicContact CG1-CG 4.42Å; V309-L629 HydrophobicContact CG2-CD2 4.05Å; V309-L629 HydrophobicContact CG2-CG 4.36Å; I321-L629 HydrophobicContact CD1-CD1 3.96Å; I321-L629 HydrophobicContact CG1-CD1 3.96Å; I321-L629 HydrophobicContact CG1-CD2 3.78Å; F421-L629 HydrophobicContact CD1-CD1 4.23Å; F421-L629 HydrophobicContact CD2-CD1 4.17Å; F421-L629 HydrophobicContact CE1-CD1 4.44Å; F421-L629 HydrophobicContact CE2-CD1 4.37Å; F421-L629 HydrophobicContact CG-CD1 4.09Å; T424-L629 HydrophobicContact CG2-CB 4.49Å; T424-L629 HydrophobicContact CG2-CD1 4.26Å; E626-L629 WeakPolarHBondContact O-CB 3.49Å; E626-L629 PolarHBondContact O-N 2.93Å; K627-L629 PolarHBondContact O-N 3.28Å
630	G	88.7	Confident	91.6	Very high	35 Å²	35	41.6 Å²	41.6	36%	0.361	23%	0.229	S	C	.	.	S	Bend	trans	-99.8	176.7	173.5	0	0	0	0	0	113.6	K627 K628 L632	K627-G630 PolarHBondContact O-N 2.8Å; K627-G630 VanDerWaalsContact O-N 3.16Å; K628-G630 PolarHBondContact O-N 3.34Å; G630-L632 PolarHBondContact O-N 2.79Å
631	P	87.4	Confident	91.4	Very high	140 Å²	140	41.3 Å²	41.3	91%	0.909	23%	0.227	S	C	*	.			trans	-66.9	132.6	172.5	29.1	-33.4	0	0	0	110.3
632	L	88.5	Confident	91.3	Very high	49 Å²	49	37.9 Å²	37.9	26%	0.257	22%	0.215	S	C	.	.			trans	-117.9	142.5	177.6	-69.2	179	0	0	0	110.7	Y319 K627 K628 G630 D636 V637	Y319-L632 HydrophobicContact CE2-CD1 4.03Å; K627-L632 HydrophobicContact CB-CD2 4.43Å; K628-L632 HydrophobicContact CG-CD1 4.38Å; G630-L632 PolarHBondContact O-N 2.79Å; L632-D636 HydrophobicContact CB-CB 4.37Å; L632-D636 HydrophobicContact CD2-CB 4.28Å; L632-V637 HydrophobicContact CB-CG2 3.61Å; L632-V637 HydrophobicContact CD1-CG2 4.33Å
633	A	91	Very high	91.2	Very high	59 Å²	59	36.1 Å²	36.1	49%	0.488	21%	0.209	S	C	.	.			trans	-69.7	155.9	169.4	0	0	0	0	0	110.4	L635 D636 V637	A633-L635 VanDerWaalsContact C-N 3.27Å; A633-L635 PolarHBondContact O-N 3.21Å; A633-D636 WeakPolarHBondContact O-CB 3.48Å; A633-D636 PolarHBondContact O-N 3.15Å; A633-V637 WeakPolarHBondContact O-CG2 3.3Å; A633-V637 PolarHBondContact O-N 3.08Å
634	I	89.9	Confident	90.9	Very high	107 Å²	107	37.5 Å²	37.5	55%	0.549	22%	0.217	S	C	.	.	H	α-helix	trans	-55.3	-40.1	-176	-173.2	60.7	0	0	0	113.3	V637 I638 L657	I634-V637 PolarHBondContact O-N 2.89Å; I634-I638 WeakPolarHBondContact O-CG1 3.21Å; I634-I638 PolarHBondContact O-N 3.07Å; I634-I638 VanDerWaalsContact O-N 3.08Å; I634-L657 HydrophobicContact CD1-CD2 3.51Å
635	L	91.1	Very high	90.2	Very high	41 Å²	41	40.1 Å²	40.1	22%	0.215	23%	0.227	C	C	.	.	H	α-helix	trans	-65	-41.3	177.9	-64	179.2	0	0	0	111.6	P586 E588 V589 A633 V637 I638 V639	P586-L635 HydrophobicContact CB-CD2 4.01Å; P586-L635 HydrophobicContact CG-CD2 4.2Å; E588-L635 HydrophobicContact CB-CD1 4.07Å; V589-L635 HydrophobicContact CG2-CB 3.99Å; V589-L635 HydrophobicContact CG2-CD1 4.19Å; V589-L635 HydrophobicContact CG2-CD2 4.31Å; V589-L635 HydrophobicContact CG2-CG 4.39Å; A633-L635 VanDerWaalsContact C-N 3.27Å; A633-L635 PolarHBondContact O-N 3.21Å; L635-V637 VanDerWaalsContact C-N 3.32Å; L635-V637 PolarHBondContact O-N 3.29Å; L635-I638 PolarHBondContact O-N 3.29Å; L635-V639 WeakPolarHBondContact O-CG2 3.32Å; L635-V639 PolarHBondContact O-N 3.22Å
636	D	91.6	Very high	89.1	Confident	56 Å²	56	44 Å²	44	30%	0.299	25%	0.248	S	C	.	.	H	α-helix	trans	-67.3	-35	177	-58.8	-37.9	0	0	0	111.5	Y595 L632 A633 S640	Y595-D636 WeakPolarHBondContact CE2-OD1 3.4Å; Y595-D636 PolarHBondContact OH-OD1 2.93Å; L632-D636 HydrophobicContact CB-CB 4.37Å; L632-D636 HydrophobicContact CD2-CB 4.28Å; A633-D636 WeakPolarHBondContact O-CB 3.48Å; A633-D636 PolarHBondContact O-N 3.15Å; D636-S640 WeakPolarHBondContact O-CB 3.38Å; D636-S640 PolarHBondContact O-N 3.5Å
637	V	91.5	Very high	88.1	Confident	4 Å²	4	49.7 Å²	49.7	2%	0.024	28%	0.279	C	S	.	.	H	α-helix	trans	-63.7	-43.1	173.7	-177.2	0	0	0	0	110.6	L632 A633 I634 L635 S640 E641 K656 L657	L632-V637 HydrophobicContact CB-CG2 3.61Å; L632-V637 HydrophobicContact CD1-CG2 4.33Å; A633-V637 WeakPolarHBondContact O-CG2 3.3Å; A633-V637 PolarHBondContact O-N 3.08Å; I634-V637 PolarHBondContact O-N 2.89Å; L635-V637 VanDerWaalsContact C-N 3.32Å; L635-V637 PolarHBondContact O-N 3.29Å; V637-S640 PolarHBondContact O-N 3.47Å; V637-E641 HydrophobicContact CG1-CG 4.19Å; V637-E641 WeakPolarHBondContact O-CB 3.46Å; V637-E641 VanDerWaalsContact O-CG 3.23Å; V637-E641 WeakPolarHBondContact O-CG 3.42Å; V637-E641 PolarHBondContact O-N 3.24Å; V637-K656 HydrophobicContact CG1-CD 3.68Å; V637-K656 HydrophobicContact CG1-CG 4.14Å; V637-L657 HydrophobicContact CB-CD2 4.28Å; V637-L657 HydrophobicContact CG1-CD1 3.91Å; V637-L657 HydrophobicContact CG1-CD2 3.65Å; V637-L657 HydrophobicContact CG1-CG 3.85Å
638	I	91.9	Very high	87.4	Confident	12 Å²	12	48.5 Å²	48.5	6%	0.062	28%	0.279	C	S	.	.	H	α-helix	trans	-60.5	-52.7	176.7	-66.2	167.3	0	0	0	110.6	Q582 P586 I634 L635 S640 E641 M642 L657 M659 L661	Q582-I638 HydrophobicContact CG-CG2 4.1Å; P586-I638 HydrophobicContact CG-CB 4.38Å; P586-I638 HydrophobicContact CG-CD1 4.01Å; P586-I638 HydrophobicContact CG-CG2 3.85Å; I634-I638 WeakPolarHBondContact O-CG1 3.21Å; I634-I638 PolarHBondContact O-N 3.07Å; I634-I638 VanDerWaalsContact O-N 3.08Å; L635-I638 PolarHBondContact O-N 3.29Å; I638-S640 VanDerWaalsContact C-N 3.28Å; I638-S640 PolarHBondContact O-N 2.86Å; I638-E641 PolarHBondContact O-N 2.85Å; I638-M642 HydrophobicContact CG2-SD 3.97Å; I638-M642 VanDerWaalsContact O-CG 3.3Å; I638-M642 WeakPolarHBondContact O-CG 3.37Å; I638-M642 PolarHBondContact O-N 2.88Å; I638-M642 VanDerWaalsContact O-N 3.09Å; I638-L657 HydrophobicContact CB-CD1 4.4Å; I638-L657 HydrophobicContact CG1-CD1 3.64Å; I638-M659 HydrophobicContact CD1-CE 3.96Å; I638-M659 HydrophobicContact CG1-CE 3.7Å; I638-L661 HydrophobicContact CG2-CD2 4.41Å
639	V	92.8	Very high	87	Confident	1 Å²	1	53.4 Å²	53.4	1%	0.006	30%	0.302	C	S	.	.	H	α-helix	trans	-59.4	-42.8	179.3	173.1	0	0	0	0	110.6	F509 V589 Y595 Y599 L635 M642 Y643	F509-V639 HydrophobicContact CD1-CG1 4.07Å; F509-V639 HydrophobicContact CD2-CG1 4.22Å; F509-V639 HydrophobicContact CE1-CG1 3.88Å; F509-V639 HydrophobicContact CE2-CG1 4.05Å; F509-V639 HydrophobicContact CE2-CG2 4.28Å; F509-V639 HydrophobicContact CG-CG1 4.23Å; F509-V639 HydrophobicContact CZ-CG1 3.88Å; F509-V639 HydrophobicContact CZ-CG2 4.21Å; V589-V639 HydrophobicContact CG1-CG2 4.37Å; V589-V639 HydrophobicContact CG2-CG2 4.34Å; Y595-V639 HydrophobicContact CE1-CG2 4.27Å; Y599-V639 HydrophobicContact CD2-CG1 4.41Å; Y599-V639 HydrophobicContact CE2-CG1 3.92Å; L635-V639 WeakPolarHBondContact O-CG2 3.32Å; L635-V639 PolarHBondContact O-N 3.22Å; V639-M642 PolarHBondContact O-N 3Å; V639-Y643 HydrophobicContact CG1-CD2 4.06Å; V639-Y643 WeakPolarHBondContact O-CB 3.45Å; V639-Y643 WeakPolarHBondContact O-CD2 3.49Å; V639-Y643 PolarHBondContact O-N 3.05Å
640	S	91.9	Very high	86.8	Confident	10 Å²	10	53.4 Å²	53.4	7%	0.07	31%	0.309	C	S	.	.	H	α-helix	trans	-62	-49.3	178.7	-163.1	0	0	0	0	111.8	K628 D636 V637 I638 M642 Y643 T644	K628-S640 WeakPolarHBondContact CE-OG 3.46Å; D636-S640 WeakPolarHBondContact O-CB 3.38Å; D636-S640 PolarHBondContact O-N 3.5Å; V637-S640 PolarHBondContact O-N 3.47Å; I638-S640 VanDerWaalsContact C-N 3.28Å; I638-S640 PolarHBondContact O-N 2.86Å; S640-M642 PolarHBondContact O-N 3.23Å; S640-Y643 PolarHBondContact O-N 3.3Å; S640-T644 WeakPolarHBondContact O-CB 3.47Å; S640-T644 PolarHBondContact O-N 3.26Å; S640-T644 PolarHBondContact O-OG1 2.58Å; S640-T644 PolarHBondContact OG-OG1 3.49Å
641	E	89.9	Confident	87	Confident	5 Å²	5	52.4 Å²	52.4	2%	0.023	30%	0.295	C	S	.	.	H	α-helix	trans	-63.3	-28.3	-179.4	-74.4	-74.5	109	0	0	113.1	N311 V637 I638 R645 S654 L657 L661	N311-E641 PolarHBondContact ND2-OE1 3.44Å; N311-E641 PolarHBondContact ND2-OE2 3Å; N311-E641 PolarHBondContact OD1-OE1 2.82Å; V637-E641 HydrophobicContact CG1-CG 4.19Å; V637-E641 WeakPolarHBondContact O-CB 3.46Å; V637-E641 VanDerWaalsContact O-CG 3.23Å; V637-E641 WeakPolarHBondContact O-CG 3.42Å; V637-E641 PolarHBondContact O-N 3.24Å; I638-E641 PolarHBondContact O-N 2.85Å; E641-R645 PolarHBondContact O-NE 3.32Å; E641-R645 IonicContact OE2-NH2 2.7Å; E641-S654 WeakPolarHBondContact CG-OG 2.92Å; E641-S654 WeakPolarHBondContact OE2-CA 3.5Å; E641-S654 VanDerWaalsContact OE2-CB 3.32Å; E641-S654 WeakPolarHBondContact OE2-CB 3.41Å; E641-S654 PolarHBondContact OE2-OG 3.39Å; E641-L657 HydrophobicContact CG-CD1 4.41Å; E641-L661 HydrophobicContact CB-CD1 3.91Å
642	M	90.8	Very high	87.1	Confident	17 Å²	17	46 Å²	46	8%	0.084	25%	0.254	C	S	.	.	H	α-helix	trans	-79.5	-42.1	175.9	-69.3	-179.5	80.1	0	0	113.2	G584 I638 V639 S640 L661	G584-M642 WeakPolarHBondContact O-CE 3.3Å; I638-M642 HydrophobicContact CG2-SD 3.97Å; I638-M642 VanDerWaalsContact O-CG 3.3Å; I638-M642 WeakPolarHBondContact O-CG 3.37Å; I638-M642 PolarHBondContact O-N 2.88Å; I638-M642 VanDerWaalsContact O-N 3.09Å; V639-M642 PolarHBondContact O-N 3Å; S640-M642 PolarHBondContact O-N 3.23Å; M642-L661 HydrophobicContact CG-CB 4.2Å; M642-L661 HydrophobicContact CG-CD1 3.73Å; M642-L661 HydrophobicContact CG-CD2 4Å; M642-L661 HydrophobicContact CG-CG 4.19Å; M642-L661 HydrophobicContact SD-CD2 4.37Å
643	Y	90.9	Very high	87.2	Confident	18 Å²	18	43.7 Å²	43.7	7%	0.071	24%	0.242	C	C	.	.	H	α-helix	trans	-120.9	-7	-160.7	-62.9	-66.2	0	0	0	116.2	P508 F509 D512 I585 V639 S640	P508-Y643 HydrophobicContact CB-CD1 3.93Å; P508-Y643 HydrophobicContact CB-CE1 4.45Å; P508-Y643 HydrophobicContact CG-CD1 4.21Å; F509-Y643 HydrophobicContact CB-CD1 3.92Å; F509-Y643 HydrophobicContact CB-CD2 3.73Å; F509-Y643 HydrophobicContact CB-CE1 4.35Å; F509-Y643 HydrophobicContact CB-CE2 4.2Å; F509-Y643 HydrophobicContact CB-CG 3.58Å; F509-Y643 AromaticContact CD2-CD2 3.57Å; F509-Y643 HydrophobicContact CD2-CD2 3.57Å; F509-Y643 AromaticContact CD2-CE2 3.41Å; F509-Y643 HydrophobicContact CD2-CE2 3.41Å; F509-Y643 VanDerWaalsContact CD2-CE2 3.41Å; F509-Y643 HydrophobicContact CD2-CG 4.31Å; F509-Y643 HydrophobicContact CE2-CD2 4.44Å; F509-Y643 HydrophobicContact CE2-CE2 4.16Å; F509-Y643 AromaticContact CG-CD2 3.87Å; F509-Y643 HydrophobicContact CG-CD2 3.87Å; F509-Y643 HydrophobicContact CG-CE2 4.15Å; F509-Y643 HydrophobicContact CG-CG 4.25Å; D512-Y643 HydrophobicContact CB-CE1 4.14Å; D512-Y643 VanDerWaalsContact CB-OH 3.29Å; D512-Y643 WeakPolarHBondContact CB-OH 3.24Å; D512-Y643 VanDerWaalsContact OD2-CE1 3.3Å; D512-Y643 WeakPolarHBondContact OD2-CE1 3.17Å; D512-Y643 PolarHBondContact OD2-OH 3.08Å; I585-Y643 HydrophobicContact CD1-CE2 4.34Å; I585-Y643 HydrophobicContact CG1-CE2 3.82Å; I585-Y643 WeakPolarHBondContact CG1-OH 3.3Å; V639-Y643 HydrophobicContact CG1-CD2 4.06Å; V639-Y643 WeakPolarHBondContact O-CB 3.45Å; V639-Y643 WeakPolarHBondContact O-CD2 3.49Å; V639-Y643 PolarHBondContact O-N 3.05Å; S640-Y643 PolarHBondContact O-N 3.3Å
644	T	85.9	Confident	87.2	Confident	34 Å²	34	40.9 Å²	40.9	21%	0.209	22%	0.218	C	C	.	.	S	Bend	trans	-101.3	8.3	-178.8	65	0	0	0	0	113.8	Q624 K628 S640	Q624-T644 HydrophobicContact CB-CG2 4.14Å; K628-T644 WeakPolarHBondContact CE-OG1 3.39Å; K628-T644 PolarHBondContact NZ-OG1 3.18Å; S640-T644 WeakPolarHBondContact O-CB 3.47Å; S640-T644 PolarHBondContact O-N 3.26Å; S640-T644 PolarHBondContact O-OG1 2.58Å; S640-T644 PolarHBondContact OG-OG1 3.49Å
645	R	79.4	Confident	86.9	Confident	70 Å²	70	36.9 Å²	36.9	26%	0.264	20%	0.198	S	C	.	.	S	Bend	trans	-74.7	150.1	170.4	-59.7	-177.4	-174	-153.2	-6.9	109.3	E641 N647 Y653	E641-R645 PolarHBondContact O-NE 3.32Å; E641-R645 IonicContact OE2-NH2 2.7Å; R645-N647 PolarHBondContact O-N 3.29Å; R645-Y653 PolarHBondContact NH2-O 2.82Å
646	D	69.2	Low	86.6	Confident	114 Å²	114	37.9 Å²	37.9	61%	0.61	20%	0.201	S	C	*	.	S	Bend	trans	-57.1	-40.4	178.7	-70.9	-34.1	0	0	0	111.8
647	N	72.8	Confident	86.5	Confident	132 Å²	132	36.8 Å²	36.8	71%	0.706	20%	0.195	S	C	*	.	S	Bend	trans	-127	97.5	171.8	-67.7	-25.1	0	0	0	109.6	R645 Q649	R645-N647 PolarHBondContact O-N 3.29Å; N647-Q649 PolarHBondContact O-N 3.08Å
648	P	77.1	Confident	86.5	Confident	50 Å²	50	37.7 Å²	37.7	33%	0.325	20%	0.2	S	C	.	.			trans	-60.9	123.7	174.7	-22.5	33.8	0	0	0	110.9	P508	P508-P648 HydrophobicContact CB-CG 4.29Å; P508-P648 HydrophobicContact CG-CG 4.09Å
649	Q	83.1	Confident	86.6	Confident	119 Å²	119	38 Å²	38	56%	0.556	20%	0.201	S	C	*	.			trans	-90.3	147	176	-68.7	175.8	-26.6	0	0	110.4	N647 I651 A652	N647-Q649 PolarHBondContact O-N 3.08Å; Q649-I651 WeakPolarHBondContact CB-O 3.43Å; Q649-I651 PolarHBondContact O-N 3.38Å; Q649-I651 PolarHBondContact OE1-O 2.85Å; Q649-A652 HydrophobicContact CB-CB 4.45Å
650	A	87.4	Confident	86.6	Confident	48 Å²	48	38 Å²	38	40%	0.397	20%	0.201	S	C	.	.	S	Bend	trans	-63.5	-29.1	175.6	0	0	0	0	0	112.4	S663 L666	A650-S663 WeakPolarHBondContact O-CB 3.28Å; A650-S663 PolarHBondContact O-N 3.17Å; A650-L666 HydrophobicContact CB-CB 4.32Å; A650-L666 HydrophobicContact CB-CD2 4.08Å
651	I	92.3	Very high	86.7	Confident	14 Å²	14	37.7 Å²	37.7	7%	0.072	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	125.2	170.8	-64.6	163.2	0	0	0	107.7	Q649 L660 L661 V662 L666 I685 D688 I689 A692	Q649-I651 WeakPolarHBondContact CB-O 3.43Å; Q649-I651 PolarHBondContact O-N 3.38Å; Q649-I651 PolarHBondContact OE1-O 2.85Å; I651-L660 HydrophobicContact CG2-CD1 3.86Å; I651-L660 HydrophobicContact CG2-CG 4.37Å; I651-L661 WeakPolarHBondContact CA-O 2.9Å; I651-V662 HydrophobicContact CG1-CG1 4.05Å; I651-V662 HydrophobicContact CG1-CG2 4.41Å; I651-L666 HydrophobicContact CD1-CD2 3.61Å; I651-L666 HydrophobicContact CG1-CD2 3.73Å; I651-I685 HydrophobicContact CD1-CG1 3.87Å; I651-D688 HydrophobicContact CD1-CB 3.52Å; I651-I689 HydrophobicContact CD1-CG1 4.12Å; I651-I689 HydrophobicContact CG2-CG1 4.42Å; I651-A692 HydrophobicContact CG2-CB 3.74Å
652	A	90.9	Very high	86.9	Confident	5 Å²	5	37.4 Å²	37.4	4%	0.041	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143	141.2	-176.5	0	0	0	0	0	111.2	Q649 L661	Q649-A652 HydrophobicContact CB-CB 4.45Å; A652-L661 PolarHBondContact N-O 3.2Å; A652-L661 WeakPolarHBondContact O-CB 3.47Å; A652-L661 PolarHBondContact O-N 3.03Å
653	Y	90.6	Very high	86.9	Confident	1 Å²	1	37.4 Å²	37.4	0%	0.004	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	131.8	168.3	178.3	-103.7	0	0	0	110.9	K575 M579 R645 N655 N658 M659 L693 N696 F700	K575-Y653 WeakPolarHBondContact CE-OH 3.24Å; K575-Y653 PolarHBondContact NZ-OH 3.25Å; M579-Y653 HydrophobicContact CE-CD2 3.93Å; M579-Y653 HydrophobicContact CE-CE2 3.41Å; M579-Y653 VanDerWaalsContact CE-CE2 3.41Å; M579-Y653 HydrophobicContact CG-CE2 4.2Å; M579-Y653 HydrophobicContact SD-CD2 4.06Å; M579-Y653 HydrophobicContact SD-CE2 3.91Å; R645-Y653 PolarHBondContact NH2-O 2.82Å; Y653-N655 VanDerWaalsContact CD1-OD1 3.29Å; Y653-N655 WeakPolarHBondContact CD1-OD1 3.32Å; Y653-N655 HydrophobicContact CE1-CB 4.31Å; Y653-N655 WeakPolarHBondContact CE1-OD1 3.19Å; Y653-N658 WeakPolarHBondContact OH-CA 3.3Å; Y653-N658 PolarHBondContact OH-OD1 2.96Å; Y653-M659 WeakPolarHBondContact CD2-O 3.42Å; Y653-L693 HydrophobicContact CD2-CD2 4.41Å; Y653-N696 HydrophobicContact CD1-CB 3.92Å; Y653-N696 HydrophobicContact CG-CB 4.46Å; Y653-F700 AromaticContact CD1-CE1 3.87Å; Y653-F700 HydrophobicContact CD1-CE1 3.87Å; Y653-F700 HydrophobicContact CD1-CZ 4.29Å; Y653-F700 HydrophobicContact CE1-CD1 4.34Å; Y653-F700 AromaticContact CE1-CE1 3.31Å; Y653-F700 HydrophobicContact CE1-CE1 3.31Å; Y653-F700 AromaticContact CE1-CZ 3.93Å; Y653-F700 HydrophobicContact CE1-CZ 3.93Å; Y653-F700 HydrophobicContact CE2-CZ 4.49Å; Y653-F700 AromaticContact CZ-CE1 3.71Å
654	S	90.3	Very high	86.6	Confident	0 Å²	0	38.5 Å²	38.5	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	112.5	170.4	176.9	0	0	0	0	110.5	E641 K656 L657 N658 M659	E641-S654 WeakPolarHBondContact CG-OG 2.92Å; E641-S654 WeakPolarHBondContact OE2-CA 3.5Å; E641-S654 VanDerWaalsContact OE2-CB 3.32Å; E641-S654 WeakPolarHBondContact OE2-CB 3.41Å; E641-S654 PolarHBondContact OE2-OG 3.39Å; S654-K656 VanDerWaalsContact C-N 3.34Å; S654-K656 PolarHBondContact O-N 3.37Å; S654-L657 PolarHBondContact OG-N 3.17Å; S654-N658 WeakPolarHBondContact O-CA 3.4Å; S654-N658 PolarHBondContact O-N 2.86Å; S654-M659 PolarHBondContact N-O 3.45Å; S654-M659 PolarHBondContact O-N 3.24Å
655	N	84.7	Confident	86.4	Confident	23 Å²	23	37.9 Å²	37.9	12%	0.123	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-40.4	177.6	-66.7	-52.5	0	0	0	112.2	Y653 T699	Y653-N655 VanDerWaalsContact CD1-OD1 3.29Å; Y653-N655 WeakPolarHBondContact CD1-OD1 3.32Å; Y653-N655 HydrophobicContact CE1-CB 4.31Å; Y653-N655 WeakPolarHBondContact CE1-OD1 3.19Å; N655-T699 HydrophobicContact CB-CG2 4.33Å; N655-T699 VanDerWaalsContact CG-CG2 3.44Å; N655-T699 WeakPolarHBondContact OD1-CG2 3.44Å
656	K	84.8	Confident	86.7	Confident	63 Å²	63	36 Å²	36	27%	0.274	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-42.8	-178	176.7	163.9	-178.8	162.2	0	112.3	D318 Y319 V637 S654	D318-K656 HydrophobicContact CB-CD 4.48Å; D318-K656 VanDerWaalsContact CB-NZ 3.31Å; D318-K656 WeakPolarHBondContact OD2-CE 3.28Å; D318-K656 IonicContact OD2-NZ 3.38Å; D318-K656 PolarHBondContact OD2-NZ 3.49Å; Y319-K656 HydrophobicContact CE1-CD 4.47Å; Y319-K656 HydrophobicContact CE2-CD 3.95Å; V637-K656 HydrophobicContact CG1-CD 3.68Å; V637-K656 HydrophobicContact CG1-CG 4.14Å; S654-K656 VanDerWaalsContact C-N 3.34Å; S654-K656 PolarHBondContact O-N 3.37Å
657	L	88.9	Confident	87.4	Confident	32 Å²	32	30.6 Å²	30.6	17%	0.168	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.9	-10.9	-174.5	-59.2	172.5	0	0	0	113.1	I634 V637 I638 E641 S654 M659	I634-L657 HydrophobicContact CD1-CD2 3.51Å; V637-L657 HydrophobicContact CB-CD2 4.28Å; V637-L657 HydrophobicContact CG1-CD1 3.91Å; V637-L657 HydrophobicContact CG1-CD2 3.65Å; V637-L657 HydrophobicContact CG1-CG 3.85Å; I638-L657 HydrophobicContact CB-CD1 4.4Å; I638-L657 HydrophobicContact CG1-CD1 3.64Å; E641-L657 HydrophobicContact CG-CD1 4.41Å; S654-L657 PolarHBondContact OG-N 3.17Å; L657-M659 VanDerWaalsContact C-N 3.27Å; L657-M659 HydrophobicContact CB-CB 4.12Å; L657-M659 HydrophobicContact CB-CE 3.54Å; L657-M659 HydrophobicContact CB-CG 3.7Å; L657-M659 HydrophobicContact CB-SD 4.36Å; L657-M659 HydrophobicContact CD1-CE 3.29Å; L657-M659 HydrophobicContact CD2-CE 4.37Å; L657-M659 HydrophobicContact CG-CE 3.91Å; L657-M659 WeakPolarHBondContact O-CG 2.96Å; L657-M659 PolarHBondContact O-N 3.45Å
658	N	91.4	Very high	87.8	Confident	24 Å²	24	27.4 Å²	27.4	13%	0.128	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	49.6	49.6	-164.8	-168.2	29.2	0	0	0	111.7	K575 M579 R580 Y653 S654	K575-N658 PolarHBondContact O-ND2 2.96Å; M579-N658 WeakPolarHBondContact CA-O 3.41Å; M579-N658 PolarHBondContact N-ND2 3.41Å; R580-N658 PolarHBondContact N-O 2.89Å; R580-N658 VanDerWaalsContact N-O 3.11Å; Y653-N658 WeakPolarHBondContact OH-CA 3.3Å; Y653-N658 PolarHBondContact OH-OD1 2.96Å; S654-N658 WeakPolarHBondContact O-CA 3.4Å; S654-N658 PolarHBondContact O-N 2.86Å
659	M	93	Very high	88	Confident	18 Å²	18	26.8 Å²	26.8	9%	0.089	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	140.9	-177	-60.9	-157.2	-70.8	0	0	111.9	R580 I638 Y653 S654 L657	R580-M659 HydrophobicContact CB-CG 3.99Å; R580-M659 HydrophobicContact CB-SD 4.12Å; R580-M659 CarbonylContact O-C 3.55Å; R580-M659 VanDerWaalsContact O-CA 3.26Å; R580-M659 WeakPolarHBondContact O-CA 3.4Å; I638-M659 HydrophobicContact CD1-CE 3.96Å; I638-M659 HydrophobicContact CG1-CE 3.7Å; Y653-M659 WeakPolarHBondContact CD2-O 3.42Å; S654-M659 PolarHBondContact N-O 3.45Å; S654-M659 PolarHBondContact O-N 3.24Å; L657-M659 VanDerWaalsContact C-N 3.27Å; L657-M659 HydrophobicContact CB-CB 4.12Å; L657-M659 HydrophobicContact CB-CE 3.54Å; L657-M659 HydrophobicContact CB-CG 3.7Å; L657-M659 HydrophobicContact CB-SD 4.36Å; L657-M659 HydrophobicContact CD1-CE 3.29Å; L657-M659 HydrophobicContact CD2-CE 4.37Å; L657-M659 HydrophobicContact CG-CE 3.91Å; L657-M659 WeakPolarHBondContact O-CG 2.96Å; L657-M659 PolarHBondContact O-N 3.45Å
660	L	94.4	Very high	88.1	Confident	0 Å²	0	25.4 Å²	25.4	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	118	164	-172.1	72.8	0	0	0	108.6	F547 M579 R580 L581 Q582 I651 V662 I689 A692 L693	F547-L660 HydrophobicContact CD2-CD2 3.67Å; F547-L660 HydrophobicContact CE2-CB 4.27Å; F547-L660 HydrophobicContact CE2-CD2 3.81Å; M579-L660 HydrophobicContact SD-CB 4.4Å; R580-L660 PolarHBondContact O-N 3.11Å; L581-L660 HydrophobicContact CD2-CB 3.81Å; L581-L660 HydrophobicContact CD2-CD2 3.74Å; L581-L660 HydrophobicContact CD2-CG 4.26Å; Q582-L660 PolarHBondContact N-O 3.29Å; I651-L660 HydrophobicContact CG2-CD1 3.86Å; I651-L660 HydrophobicContact CG2-CG 4.37Å; L660-V662 HydrophobicContact CD2-CG2 4.29Å; L660-V662 HydrophobicContact CG-CG2 4.27Å; L660-I689 HydrophobicContact CD2-CG1 4.17Å; L660-I689 HydrophobicContact CD2-CG2 3.81Å; L660-A692 HydrophobicContact CD1-CB 4.4Å; L660-L693 HydrophobicContact CD1-CD2 4.1Å
661	L	94	Very high	88	Confident	4 Å²	4	24.3 Å²	24.3	2%	0.021	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	122.6	178.9	-55.1	167.2	0	0	0	107.7	Q582 I638 E641 M642 I651 A652	Q582-L661 HydrophobicContact CB-CD2 3.96Å; Q582-L661 HydrophobicContact CG-CD2 4.07Å; I638-L661 HydrophobicContact CG2-CD2 4.41Å; E641-L661 HydrophobicContact CB-CD1 3.91Å; M642-L661 HydrophobicContact CG-CB 4.2Å; M642-L661 HydrophobicContact CG-CD1 3.73Å; M642-L661 HydrophobicContact CG-CD2 4Å; M642-L661 HydrophobicContact CG-CG 4.19Å; M642-L661 HydrophobicContact SD-CD2 4.37Å; I651-L661 WeakPolarHBondContact CA-O 2.9Å; A652-L661 PolarHBondContact N-O 3.2Å; A652-L661 WeakPolarHBondContact O-CB 3.47Å; A652-L661 PolarHBondContact O-N 3.03Å
662	V	93.5	Very high	88	Confident	0 Å²	0	23.7 Å²	23.7	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	124.7	177.7	-174.8	0	0	0	0	109.6	L543 Q582 F583 G584 I651 L660 K664 L666 I667	L543-V662 HydrophobicContact CD2-CG1 4.06Å; Q582-V662 PolarHBondContact O-N 2.88Å; F583-V662 HydrophobicContact CD1-CB 4.25Å; G584-V662 PolarHBondContact N-O 2.8Å; I651-V662 HydrophobicContact CG1-CG1 4.05Å; I651-V662 HydrophobicContact CG1-CG2 4.41Å; L660-V662 HydrophobicContact CD2-CG2 4.29Å; L660-V662 HydrophobicContact CG-CG2 4.27Å; V662-K664 PolarHBondContact O-N 2.87Å; V662-L666 HydrophobicContact CG1-CD2 4.49Å; V662-I667 HydrophobicContact CB-CD1 4.19Å; V662-I667 HydrophobicContact CG1-CD1 3.68Å; V662-I667 HydrophobicContact CG1-CG1 3.8Å
663	S	89.6	Confident	87.9	Confident	16 Å²	16	23.5 Å²	23.5	11%	0.112	13%	0.128	C	C	.	.			trans	-60.9	132.7	178	175.6	0	0	0	0	111.2	A650 V665 L666 I667	A650-S663 WeakPolarHBondContact O-CB 3.28Å; A650-S663 PolarHBondContact O-N 3.17Å; S663-V665 PolarHBondContact O-N 3.05Å; S663-V665 PolarHBondContact OG-N 3.3Å; S663-L666 PolarHBondContact O-N 2.98Å; S663-I667 WeakPolarHBondContact O-CG1 3.23Å; S663-I667 PolarHBondContact O-N 3.38Å
664	K	85.7	Confident	87.9	Confident	41 Å²	41	24.5 Å²	24.5	18%	0.178	13%	0.132	C	C	.	.	H	α-helix	trans	-66.3	-27.6	175.3	-160.8	71	162.3	-173.6	0	112	Q516 T536 E540 V662 I667 S668	Q516-K664 VanDerWaalsContact CD-CB 3.4Å; Q516-K664 HydrophobicContact CG-CB 3.73Å; Q516-K664 HydrophobicContact CG-CG 3.86Å; T536-K664 VanDerWaalsContact CG2-CE 3.43Å; E540-K664 IonicContact OE1-NZ 3.6Å; E540-K664 PolarHBondContact OE1-NZ 2.84Å; E540-K664 IonicContact OE2-NZ 3.63Å; V662-K664 PolarHBondContact O-N 2.87Å; K664-I667 PolarHBondContact O-N 2.74Å; K664-S668 WeakPolarHBondContact O-CB 3.5Å; K664-S668 PolarHBondContact O-N 3.38Å; K664-S668 PolarHBondContact O-OG 2.91Å
665	V	81.7	Confident	87.8	Confident	22 Å²	22	28.2 Å²	28.2	13%	0.133	15%	0.146	C	C	.	.	H	α-helix	trans	-64.5	-43.6	177	-178.8	0	0	0	0	110.2	D512 Q515 S663 I667 S668 S669	D512-V665 WeakPolarHBondContact OD1-CG2 3.4Å; Q515-V665 VanDerWaalsContact OE1-CG2 3.28Å; S663-V665 PolarHBondContact O-N 3.05Å; S663-V665 PolarHBondContact OG-N 3.3Å; V665-I667 VanDerWaalsContact C-N 3.33Å; V665-I667 PolarHBondContact O-N 3.18Å; V665-S668 PolarHBondContact O-N 3.03Å; V665-S668 PolarHBondContact O-OG 2.87Å; V665-S668 VanDerWaalsContact O-OG 3.13Å; V665-S669 WeakPolarHBondContact O-CB 3.36Å; V665-S669 PolarHBondContact O-N 3.41Å
666	L	85.5	Confident	88	Confident	29 Å²	29	27.4 Å²	27.4	15%	0.152	14%	0.141	C	C	.	.	H	α-helix	trans	-59.9	-46.3	174.5	-175.1	67.4	0	0	0	110.9	A650 I651 V662 S663 S668 S669 Y671 I685	A650-L666 HydrophobicContact CB-CB 4.32Å; A650-L666 HydrophobicContact CB-CD2 4.08Å; I651-L666 HydrophobicContact CD1-CD2 3.61Å; I651-L666 HydrophobicContact CG1-CD2 3.73Å; V662-L666 HydrophobicContact CG1-CD2 4.49Å; S663-L666 PolarHBondContact O-N 2.98Å; L666-S668 VanDerWaalsContact C-N 3.31Å; L666-S668 PolarHBondContact O-N 2.86Å; L666-S669 PolarHBondContact O-N 3.29Å; L666-S669 PolarHBondContact O-OG 2.88Å; L666-Y671 HydrophobicContact CD1-CD1 3.47Å; L666-Y671 VanDerWaalsContact CD1-CD1 3.47Å; L666-Y671 HydrophobicContact CD1-CE1 3.99Å; L666-Y671 HydrophobicContact CD1-CG 4.18Å; L666-Y671 HydrophobicContact CG-CD1 4.24Å; L666-I685 HydrophobicContact CD2-CD1 3.95Å; L666-I685 HydrophobicContact CD2-CG1 4.27Å; L666-I685 HydrophobicContact CG-CD1 4.33Å
667	I	84.9	Confident	88.3	Confident	2 Å²	2	25.6 Å²	25.6	1%	0.01	14%	0.136	C	C	.	.	H	α-helix	trans	-67	-30.4	-179.1	-60.2	170.4	0	0	0	111.8	N539 L543 F583 V662 S663 K664 V665 Y672	N539-I667 HydrophobicContact CB-CG2 3.57Å; N539-I667 PolarHBondContact ND2-O 3.12Å; L543-I667 HydrophobicContact CD2-CD1 3.86Å; L543-I667 HydrophobicContact CD2-CG1 3.93Å; F583-I667 HydrophobicContact CB-CD1 4.17Å; F583-I667 HydrophobicContact CD1-CD1 3.45Å; F583-I667 VanDerWaalsContact CD1-CD1 3.45Å; F583-I667 HydrophobicContact CE1-CD1 4.23Å; F583-I667 HydrophobicContact CG-CD1 4.13Å; V662-I667 HydrophobicContact CB-CD1 4.19Å; V662-I667 HydrophobicContact CG1-CD1 3.68Å; V662-I667 HydrophobicContact CG1-CG1 3.8Å; S663-I667 WeakPolarHBondContact O-CG1 3.23Å; S663-I667 PolarHBondContact O-N 3.38Å; K664-I667 PolarHBondContact O-N 2.74Å; V665-I667 VanDerWaalsContact C-N 3.33Å; V665-I667 PolarHBondContact O-N 3.18Å; I667-Y672 HydrophobicContact CG2-CD1 4.45Å; I667-Y672 HydrophobicContact CG2-CE1 4.39Å
668	S	79.7	Confident	88.4	Confident	64 Å²	64	25 Å²	25	45%	0.448	13%	0.134	S	C	.	.	H	α-helix	trans	-88.3	-16.4	179.8	67.1	0	0	0	0	113.7	K535 K664 V665 L666	K535-S668 PolarHBondContact NZ-O 2.93Å; K664-S668 WeakPolarHBondContact O-CB 3.5Å; K664-S668 PolarHBondContact O-N 3.38Å; K664-S668 PolarHBondContact O-OG 2.91Å; V665-S668 PolarHBondContact O-N 3.03Å; V665-S668 PolarHBondContact O-OG 2.87Å; V665-S668 VanDerWaalsContact O-OG 3.13Å; L666-S668 VanDerWaalsContact C-N 3.31Å; L666-S668 PolarHBondContact O-N 2.86Å
669	S	82.7	Confident	88.5	Confident	38 Å²	38	23.8 Å²	23.8	27%	0.266	13%	0.127	S	C	.	.	S	Bend	trans	-67	-180	-179.4	78.8	0	0	0	0	113.8	K535 V665 L666 Y671	K535-S669 PolarHBondContact NZ-O 3.3Å; V665-S669 WeakPolarHBondContact O-CB 3.36Å; V665-S669 PolarHBondContact O-N 3.41Å; L666-S669 PolarHBondContact O-N 3.29Å; L666-S669 PolarHBondContact O-OG 2.88Å; S669-Y671 VanDerWaalsContact C-N 3.32Å; S669-Y671 VanDerWaalsContact OG-CB 3.27Å; S669-Y671 WeakPolarHBondContact OG-CB 3.35Å; S669-Y671 PolarHBondContact OG-N 2.75Å; S669-Y671 VanDerWaalsContact OG-N 3.13Å
670	N	83.5	Confident	88.5	Confident	90 Å²	90	23 Å²	23	48%	0.481	12%	0.123	S	C	.	.	S	Bend	trans	-90.6	5.2	171.8	-65.8	-22.2	0	0	0	112.8	Q169 Y672 Y676	Q169-N670 PolarHBondContact NE2-O 2.86Å; Q169-N670 VanDerWaalsContact NE2-O 3.1Å; Q169-N670 PolarHBondContact OE1-O 3.04Å; N670-Y672 VanDerWaalsContact C-N 3.32Å; N670-Y676 WeakPolarHBondContact O-CE2 3.46Å; N670-Y676 PolarHBondContact O-OH 3.25Å
671	Y	87.1	Confident	88.5	Confident	25 Å²	25	23 Å²	23	10%	0.098	12%	0.123	C	C	.	.	S	Bend	trans	-68.5	-36.6	172.4	-179.8	-111.6	0	0	0	111.2	Y211 L666 S669 R684 I685 D688 Q819	Y211-Y671 HydrophobicContact CE1-CD2 4.46Å; Y211-Y671 AromaticContact CE1-CE2 3.71Å; Y211-Y671 HydrophobicContact CE1-CE2 3.71Å; Y211-Y671 AromaticContact CZ-CE2 3.83Å; Y211-Y671 WeakPolarHBondContact OH-CD2 3.1Å; Y211-Y671 WeakPolarHBondContact OH-CE2 3.22Å; L666-Y671 HydrophobicContact CD1-CD1 3.47Å; L666-Y671 VanDerWaalsContact CD1-CD1 3.47Å; L666-Y671 HydrophobicContact CD1-CE1 3.99Å; L666-Y671 HydrophobicContact CD1-CG 4.18Å; L666-Y671 HydrophobicContact CG-CD1 4.24Å; S669-Y671 VanDerWaalsContact C-N 3.32Å; S669-Y671 VanDerWaalsContact OG-CB 3.27Å; S669-Y671 WeakPolarHBondContact OG-CB 3.35Å; S669-Y671 PolarHBondContact OG-N 2.75Å; S669-Y671 VanDerWaalsContact OG-N 3.13Å; Y671-R684 HydrophobicContact CE1-CB 4.09Å; Y671-R684 HydrophobicContact CE2-CB 3.93Å; Y671-R684 HydrophobicContact CE2-CG 4Å; Y671-R684 WeakPolarHBondContact O-CD 3.48Å; Y671-R684 PolarHBondContact O-NH1 2.98Å; Y671-I685 HydrophobicContact CE1-CB 4.22Å; Y671-D688 WeakPolarHBondContact CE1-OD2 3.46Å; Y671-D688 VanDerWaalsContact CZ-OD2 3.26Å; Y671-D688 PolarHBondContact OH-OD1 3.46Å; Y671-D688 PolarHBondContact OH-OD2 2.68Å; Y671-Q819 PolarHBondContact OH-NE2 3.31Å
672	Y	90.4	Very high	88.6	Confident	0 Å²	0	22.8 Å²	22.8	0%	0	12%	0.122	C	C	.	.			trans	-136.1	132.4	-176.8	170.9	-106.8	0	0	0	111.3	N539 L542 L543 M546 I667 N670 N681 I685	N539-Y672 HydrophobicContact CB-CD1 4.24Å; N539-Y672 HydrophobicContact CB-CE1 3.66Å; N539-Y672 WeakPolarHBondContact O-CE1 3.15Å; N539-Y672 PolarHBondContact O-OH 2.95Å; L542-Y672 WeakPolarHBondContact CB-OH 3.42Å; L542-Y672 HydrophobicContact CD2-CE2 4.2Å; L542-Y672 WeakPolarHBondContact CG-OH 3.5Å; L543-Y672 WeakPolarHBondContact CA-OH 3.33Å; L543-Y672 HydrophobicContact CB-CE1 4.31Å; L543-Y672 WeakPolarHBondContact CB-OH 3.44Å; L543-Y672 PolarHBondContact N-OH 3.47Å; M546-Y672 HydrophobicContact SD-CE2 4.04Å; I667-Y672 HydrophobicContact CG2-CD1 4.45Å; I667-Y672 HydrophobicContact CG2-CE1 4.39Å; N670-Y672 VanDerWaalsContact C-N 3.32Å; Y672-N681 HydrophobicContact CD2-CB 4.05Å; Y672-N681 VanDerWaalsContact CD2-OD1 3.32Å; Y672-N681 WeakPolarHBondContact CD2-OD1 3.46Å; Y672-N681 HydrophobicContact CE2-CB 3.99Å; Y672-I685 HydrophobicContact CD1-CD1 4.3Å; Y672-I685 HydrophobicContact CD2-CB 4.33Å; Y672-I685 HydrophobicContact CD2-CD1 4.44Å; Y672-I685 HydrophobicContact CD2-CG2 3.49Å; Y672-I685 VanDerWaalsContact CD2-CG2 3.49Å; Y672-I685 HydrophobicContact CE2-CG2 3.83Å; Y672-I685 HydrophobicContact CG-CD1 4.1Å; Y672-I685 HydrophobicContact CG-CG2 4.18Å
673	D	90.3	Very high	88.7	Confident	2 Å²	2	22.8 Å²	22.8	1%	0.011	12%	0.122	C	C	.	.			trans	-148.4	139.4	170.9	-166.4	-61.4	0	0	0	109.4	K535 N539 R675 Y676 N681	K535-D673 WeakPolarHBondContact CE-OD2 3.5Å; K535-D673 IonicContact NZ-OD2 2.8Å; N539-D673 WeakPolarHBondContact OD1-CA 3.33Å; D673-R675 PolarHBondContact O-N 3.26Å; D673-R675 VanDerWaalsContact O-N 3.14Å; D673-R675 VanDerWaalsContact OD1-CB 3.32Å; D673-R675 WeakPolarHBondContact OD1-CB 3.34Å; D673-R675 IonicContact OD1-CZ 2.78Å; D673-R675 PolarHBondContact OD1-N 3.03Å; D673-R675 IonicContact OD1-NE 2.87Å; D673-R675 PolarHBondContact OD1-NE 3.4Å; D673-R675 IonicContact OD1-NH2 2.73Å; D673-R675 PolarHBondContact OD1-NH2 3.22Å; D673-R675 IonicContact OD2-CZ 2.66Å; D673-R675 IonicContact OD2-NE 3.51Å; D673-R675 IonicContact OD2-NH2 3.64Å; D673-R675 PolarHBondContact OD2-NH2 2.95Å; D673-Y676 HydrophobicContact CB-CD1 3.62Å; D673-Y676 HydrophobicContact CB-CD2 4.1Å; D673-Y676 HydrophobicContact CB-CE1 3.67Å; D673-Y676 HydrophobicContact CB-CE2 4.17Å; D673-Y676 HydrophobicContact CB-CG 3.84Å; D673-Y676 VanDerWaalsContact O-CB 3.27Å; D673-Y676 WeakPolarHBondContact O-CB 3.3Å; D673-Y676 PolarHBondContact O-N 2.78Å; D673-N681 PolarHBondContact O-ND2 2.89Å
674	Y	90.4	Very high	88.9	Confident	22 Å²	22	22.4 Å²	22.4	9%	0.086	12%	0.118	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-19.9	-179.2	80.7	-84.3	0	0	0	113.6	L533 G538 N539 Y676 L792	L533-Y674 PolarHBondContact O-OH 2.94Å; G538-Y674 WeakPolarHBondContact O-CB 3.47Å; N539-Y674 WeakPolarHBondContact OD1-CD1 3.49Å; N539-Y674 PolarHBondContact OD1-N 3.45Å; Y674-Y676 VanDerWaalsContact C-N 3.35Å; Y674-L792 HydrophobicContact CD2-CD2 3.77Å; Y674-L792 HydrophobicContact CE2-CD2 4.38Å; Y674-L792 HydrophobicContact CG-CD2 4.29Å
675	R	87.6	Confident	89.3	Confident	77 Å²	77	20.4 Å²	20.4	29%	0.291	11%	0.11	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.5	-7.6	175.9	-63.3	162.8	-72.7	175.5	7	112.5	E162 D673	E162-R675 HydrophobicContact CB-CB 3.93Å; E162-R675 HydrophobicContact CG-CB 4.47Å; E162-R675 IonicContact OE1-CZ 3.54Å; E162-R675 VanDerWaalsContact OE1-CZ 3.22Å; E162-R675 IonicContact OE1-NH1 3.66Å; E162-R675 PolarHBondContact OE1-NH1 3.42Å; E162-R675 IonicContact OE1-NH2 3.53Å; E162-R675 PolarHBondContact OE1-NH2 2.85Å; E162-R675 IonicContact OE2-NH1 3.63Å; D673-R675 PolarHBondContact O-N 3.26Å; D673-R675 VanDerWaalsContact O-N 3.14Å; D673-R675 VanDerWaalsContact OD1-CB 3.32Å; D673-R675 WeakPolarHBondContact OD1-CB 3.34Å; D673-R675 IonicContact OD1-CZ 2.78Å; D673-R675 PolarHBondContact OD1-N 3.03Å; D673-R675 IonicContact OD1-NE 2.87Å; D673-R675 PolarHBondContact OD1-NE 3.4Å; D673-R675 IonicContact OD1-NH2 2.73Å; D673-R675 PolarHBondContact OD1-NH2 3.22Å; D673-R675 IonicContact OD2-CZ 2.66Å; D673-R675 IonicContact OD2-NE 3.51Å; D673-R675 IonicContact OD2-NH2 3.64Å; D673-R675 PolarHBondContact OD2-NH2 2.95Å
676	Y	89.8	Confident	90	Very high	6 Å²	6	19.4 Å²	19.4	2%	0.024	10%	0.103	C	C	.	.	S	Bend	trans	-71.9	155.3	170.7	-70	3.2	0	0	0	109.9	E162 Q169 N670 D673 Y674 V678	E162-Y676 HydrophobicContact CB-CD1 4.41Å; E162-Y676 HydrophobicContact CB-CE1 4.17Å; E162-Y676 WeakPolarHBondContact O-CE1 3.23Å; Q169-Y676 PolarHBondContact NE2-OH 3Å; N670-Y676 WeakPolarHBondContact O-CE2 3.46Å; N670-Y676 PolarHBondContact O-OH 3.25Å; D673-Y676 HydrophobicContact CB-CD1 3.62Å; D673-Y676 HydrophobicContact CB-CD2 4.1Å; D673-Y676 HydrophobicContact CB-CE1 3.67Å; D673-Y676 HydrophobicContact CB-CE2 4.17Å; D673-Y676 HydrophobicContact CB-CG 3.84Å; D673-Y676 VanDerWaalsContact O-CB 3.27Å; D673-Y676 WeakPolarHBondContact O-CB 3.3Å; D673-Y676 PolarHBondContact O-N 2.78Å; Y674-Y676 VanDerWaalsContact C-N 3.35Å; Y676-V678 PolarHBondContact O-N 2.58Å
677	P	89.8	Confident	90.5	Very high	25 Å²	25	18 Å²	18	16%	0.162	10%	0.096	C	C	.	.			trans	-55.6	133.5	174.5	-13.8	21.5	0	0	0	110.5	A679 V680 N681 I800 L811	P677-A679 PolarHBondContact O-N 3.26Å; P677-A679 VanDerWaalsContact O-N 3.13Å; P677-V680 HydrophobicContact CB-CG2 3.98Å; P677-V680 HydrophobicContact CG-CG2 3.86Å; P677-V680 WeakPolarHBondContact O-CB 3.46Å; P677-V680 PolarHBondContact O-N 3.36Å; P677-N681 PolarHBondContact O-N 3.09Å; P677-I800 HydrophobicContact CB-CD1 4.07Å; P677-I800 HydrophobicContact CG-CD1 3.17Å; P677-I800 HydrophobicContact CG-CG1 3.61Å; P677-L811 HydrophobicContact CB-CD1 4.48Å
678	V	92	Very high	91	Very high	19 Å²	19	19.7 Å²	19.7	12%	0.115	11%	0.105	C	C	.	.	H	α-helix	trans	-51.7	-41.3	-179.1	176.8	0	0	0	0	111.4	Y676 V680 N681 F682 L765 F768 L794	Y676-V678 PolarHBondContact O-N 2.58Å; V678-V680 VanDerWaalsContact C-N 3.31Å; V678-V680 PolarHBondContact O-N 2.99Å; V678-N681 PolarHBondContact O-N 3.3Å; V678-F682 HydrophobicContact CG1-CD2 3.53Å; V678-F682 HydrophobicContact CG1-CE2 3.58Å; V678-F682 WeakPolarHBondContact O-CD2 3.42Å; V678-F682 PolarHBondContact O-N 3.31Å; V678-L765 HydrophobicContact CG1-CD1 3.84Å; V678-F768 HydrophobicContact CG1-CD1 3.54Å; V678-F768 HydrophobicContact CG1-CE1 3.49Å; V678-F768 VanDerWaalsContact CG1-CE1 3.49Å; V678-F768 HydrophobicContact CG2-CE1 4.3Å; V678-L794 HydrophobicContact CG2-CD2 3.74Å
679	A	92.9	Very high	91.8	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-56	-40.9	176.3	0	0	0	0	0	114.1	P677 A683 L765 E808 L811 F812	P677-A679 PolarHBondContact O-N 3.26Å; P677-A679 VanDerWaalsContact O-N 3.13Å; A679-A683 VanDerWaalsContact O-CB 3.31Å; A679-A683 WeakPolarHBondContact O-CB 3.47Å; A679-A683 PolarHBondContact O-N 3.36Å; A679-L765 HydrophobicContact CB-CD1 4.4Å; A679-L765 HydrophobicContact CB-CD2 3.97Å; A679-E808 HydrophobicContact CB-CB 4.12Å; A679-E808 HydrophobicContact CB-CG 4.49Å; A679-E808 WeakPolarHBondContact CB-O 3.4Å; A679-L811 HydrophobicContact CB-CB 3.95Å; A679-F812 HydrophobicContact CB-CB 4.15Å
680	V	93.1	Very high	92.4	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-67.9	-43.3	177.9	-179.4	0	0	0	0	110	L170 P677 V678 A683 R684	L170-V680 HydrophobicContact CD1-CG2 3.94Å; P677-V680 HydrophobicContact CB-CG2 3.98Å; P677-V680 HydrophobicContact CG-CG2 3.86Å; P677-V680 WeakPolarHBondContact O-CB 3.46Å; P677-V680 PolarHBondContact O-N 3.36Å; V678-V680 VanDerWaalsContact C-N 3.31Å; V678-V680 PolarHBondContact O-N 2.99Å; V680-A683 PolarHBondContact O-N 3.39Å; V680-R684 WeakPolarHBondContact O-CB 3.35Å; V680-R684 WeakPolarHBondContact O-CG 3.47Å; V680-R684 PolarHBondContact O-N 3.04Å
681	N	94.8	Very high	92.9	Very high	0 Å²	0	13.2 Å²	13.2	0%	0	6%	0.061	C	C	.	.	H	α-helix	trans	-64.6	-41.9	178	-71.6	-25.9	0	0	0	111.7	M546 Y672 D673 P677 V678 R684 I685 G686	M546-N681 HydrophobicContact CE-CB 3.95Å; M546-N681 WeakPolarHBondContact CE-O 3.41Å; M546-N681 HydrophobicContact SD-CB 3.94Å; Y672-N681 HydrophobicContact CD2-CB 4.05Å; Y672-N681 VanDerWaalsContact CD2-OD1 3.32Å; Y672-N681 WeakPolarHBondContact CD2-OD1 3.46Å; Y672-N681 HydrophobicContact CE2-CB 3.99Å; D673-N681 PolarHBondContact O-ND2 2.89Å; P677-N681 PolarHBondContact O-N 3.09Å; V678-N681 PolarHBondContact O-N 3.3Å; N681-R684 CarbonylContact O-C 3.53Å; N681-R684 PolarHBondContact O-N 3.25Å; N681-I685 WeakPolarHBondContact O-CG2 3.21Å; N681-I685 PolarHBondContact O-N 2.9Å; N681-I685 VanDerWaalsContact O-N 3.14Å; N681-G686 PolarHBondContact O-N 2.85Å
682	F	96.3	Very high	93.2	Very high	0 Å²	0	12.5 Å²	12.5	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-65.8	-36.1	175.5	-91.5	-98.4	0	0	0	112.9	M546 L550 V678 R684 G686 T687 A764 L765 F768 F812	M546-F682 HydrophobicContact CB-CE2 4.47Å; M546-F682 HydrophobicContact CB-CZ 4.36Å; M546-F682 HydrophobicContact CE-CD2 3.75Å; M546-F682 HydrophobicContact CE-CE2 4.04Å; M546-F682 HydrophobicContact CE-CG 4.07Å; M546-F682 HydrophobicContact CG-CD2 4.31Å; M546-F682 HydrophobicContact CG-CE2 3.67Å; M546-F682 HydrophobicContact CG-CZ 4.03Å; M546-F682 HydrophobicContact SD-CD2 4.37Å; M546-F682 HydrophobicContact SD-CE2 4.29Å; L550-F682 HydrophobicContact CD2-CD1 3.89Å; L550-F682 HydrophobicContact CD2-CE1 3.81Å; L550-F682 HydrophobicContact CG-CE1 4.08Å; V678-F682 HydrophobicContact CG1-CD2 3.53Å; V678-F682 HydrophobicContact CG1-CE2 3.58Å; V678-F682 WeakPolarHBondContact O-CD2 3.42Å; V678-F682 PolarHBondContact O-N 3.31Å; F682-R684 VanDerWaalsContact C-N 3.3Å; F682-G686 CarbonylContact O-C 3.57Å; F682-G686 WeakPolarHBondContact O-CA 3.28Å; F682-T687 PolarHBondContact O-N 2.84Å; F682-A764 HydrophobicContact CD1-CB 4.27Å; F682-A764 HydrophobicContact CE1-CB 3.84Å; F682-L765 HydrophobicContact CB-CB 4.08Å; F682-L765 HydrophobicContact CB-CD1 4.12Å; F682-L765 HydrophobicContact CD1-CB 3.94Å; F682-L765 HydrophobicContact CD2-CD1 3.89Å; F682-L765 HydrophobicContact CE2-CD1 4.49Å; F682-L765 HydrophobicContact CG-CB 3.97Å; F682-L765 HydrophobicContact CG-CD1 3.98Å; F682-F768 HydrophobicContact CE1-CB 4.4Å; F682-F768 HydrophobicContact CE2-CB 4.14Å; F682-F768 AromaticContact CE2-CD1 3.6Å; F682-F768 HydrophobicContact CE2-CD1 3.6Å; F682-F768 HydrophobicContact CE2-CD2 4.23Å; F682-F768 AromaticContact CE2-CE1 3.94Å; F682-F768 HydrophobicContact CE2-CE1 3.94Å; F682-F768 AromaticContact CE2-CG 3.75Å; F682-F768 HydrophobicContact CE2-CG 3.75Å; F682-F768 HydrophobicContact CE2-CZ 4.39Å; F682-F768 HydrophobicContact CZ-CB 3.67Å; F682-F768 AromaticContact CZ-CD1 3.94Å; F682-F768 HydrophobicContact CZ-CD1 3.94Å; F682-F768 AromaticContact CZ-CD2 3.85Å; F682-F768 HydrophobicContact CZ-CD2 3.85Å; F682-F768 HydrophobicContact CZ-CE2 4.42Å; F682-F768 AromaticContact CZ-CG 3.56Å; F682-F768 HydrophobicContact CZ-CG 3.56Å; F682-F812 HydrophobicContact CB-CD2 4.12Å; F682-F812 HydrophobicContact CB-CE2 4.16Å
683	A	95.4	Very high	93.3	Very high	0 Å²	0	12.5 Å²	12.5	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-72.2	-23.4	175.9	0	0	0	0	0	113.6	A679 V680 T687 F812 Q819	A679-A683 VanDerWaalsContact O-CB 3.31Å; A679-A683 WeakPolarHBondContact O-CB 3.47Å; A679-A683 PolarHBondContact O-N 3.36Å; V680-A683 PolarHBondContact O-N 3.39Å; A683-T687 PolarHBondContact O-OG1 2.89Å; A683-T687 VanDerWaalsContact O-OG1 3.13Å; A683-F812 HydrophobicContact CB-CD2 3.63Å; A683-F812 HydrophobicContact CB-CE2 3.89Å; A683-F812 HydrophobicContact CB-CG 4.11Å; A683-F812 WeakPolarHBondContact CB-O 3.44Å; A683-Q819 PolarHBondContact O-NE2 3Å; A683-Q819 VanDerWaalsContact O-NE2 3.17Å; A683-Q819 PolarHBondContact O-OE1 2.89Å
684	R	93.6	Very high	93.4	Very high	8 Å²	8	12.4 Å²	12.4	3%	0.03	6%	0.06	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99	-101.4	178.1	-69.8	-179.2	-176.3	177.3	-0.6	111	Y671 V680 N681 F682 G686 T687 D688	Y671-R684 HydrophobicContact CE1-CB 4.09Å; Y671-R684 HydrophobicContact CE2-CB 3.93Å; Y671-R684 HydrophobicContact CE2-CG 4Å; Y671-R684 WeakPolarHBondContact O-CD 3.48Å; Y671-R684 PolarHBondContact O-NH1 2.98Å; V680-R684 WeakPolarHBondContact O-CB 3.35Å; V680-R684 WeakPolarHBondContact O-CG 3.47Å; V680-R684 PolarHBondContact O-N 3.04Å; N681-R684 CarbonylContact O-C 3.53Å; N681-R684 PolarHBondContact O-N 3.25Å; F682-R684 VanDerWaalsContact C-N 3.3Å; R684-G686 PolarHBondContact O-N 3.22Å; R684-T687 PolarHBondContact O-N 3.29Å; R684-T687 PolarHBondContact O-OG1 3.3Å; R684-D688 PolarHBondContact O-N 3.45Å
685	I	94.5	Very high	93.2	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-56.8	-26.9	-176.5	-159.1	166.8	0	0	0	113.5	L543 M546 I651 L666 Y671 Y672 N681 D688 I689	L543-I685 HydrophobicContact CD1-CD1 3.8Å; L543-I685 HydrophobicContact CD1-CG1 4.17Å; L543-I685 HydrophobicContact CD1-CG2 4Å; L543-I685 HydrophobicContact CD2-CD1 4Å; M546-I685 HydrophobicContact CE-CG2 3.82Å; I651-I685 HydrophobicContact CD1-CG1 3.87Å; L666-I685 HydrophobicContact CD2-CD1 3.95Å; L666-I685 HydrophobicContact CD2-CG1 4.27Å; L666-I685 HydrophobicContact CG-CD1 4.33Å; Y671-I685 HydrophobicContact CE1-CB 4.22Å; Y672-I685 HydrophobicContact CD1-CD1 4.3Å; Y672-I685 HydrophobicContact CD2-CB 4.33Å; Y672-I685 HydrophobicContact CD2-CD1 4.44Å; Y672-I685 HydrophobicContact CD2-CG2 3.49Å; Y672-I685 VanDerWaalsContact CD2-CG2 3.49Å; Y672-I685 HydrophobicContact CE2-CG2 3.83Å; Y672-I685 HydrophobicContact CG-CD1 4.1Å; Y672-I685 HydrophobicContact CG-CG2 4.18Å; N681-I685 WeakPolarHBondContact O-CG2 3.21Å; N681-I685 PolarHBondContact O-N 2.9Å; N681-I685 VanDerWaalsContact O-N 3.14Å; I685-D688 PolarHBondContact O-N 3.23Å; I685-I689 HydrophobicContact CG1-CD1 4.47Å; I685-I689 VanDerWaalsContact O-CG1 3.26Å; I685-I689 WeakPolarHBondContact O-CG1 3.45Å; I685-I689 PolarHBondContact O-N 3.13Å
686	G	96.3	Very high	93.2	Very high	0 Å²	0	11.6 Å²	11.6	0%	0	6%	0.063	C	C	.	.	H	α-helix	trans	-66.3	-37.4	176	0	0	0	0	0	114	N681 F682 R684 L690	N681-G686 PolarHBondContact O-N 2.85Å; F682-G686 CarbonylContact O-C 3.57Å; F682-G686 WeakPolarHBondContact O-CA 3.28Å; R684-G686 PolarHBondContact O-N 3.22Å; G686-L690 PolarHBondContact O-N 3.45Å
687	T	95.4	Very high	93	Very high	0 Å²	0	11.3 Å²	11.3	0%	0	6%	0.062	C	C	.	.	H	α-helix	trans	-72.4	-42.5	174.1	53.9	0	0	0	0	110.5	F682 A683 R684 I689 L690 E691 A761 Y816	F682-T687 PolarHBondContact O-N 2.84Å; A683-T687 PolarHBondContact O-OG1 2.89Å; A683-T687 VanDerWaalsContact O-OG1 3.13Å; R684-T687 PolarHBondContact O-N 3.29Å; R684-T687 PolarHBondContact O-OG1 3.3Å; T687-I689 VanDerWaalsContact C-N 3.29Å; T687-I689 PolarHBondContact O-N 2.93Å; T687-L690 CarbonylContact O-C 3.49Å; T687-L690 PolarHBondContact O-N 3.26Å; T687-E691 WeakPolarHBondContact O-CG 3.28Å; T687-E691 PolarHBondContact O-N 3.43Å; T687-A761 HydrophobicContact CG2-CB 3.58Å; T687-Y816 HydrophobicContact CG2-CD2 3.76Å; T687-Y816 HydrophobicContact CG2-CE2 3.76Å
688	D	94.7	Very high	92.4	Very high	37 Å²	37	12 Å²	12	20%	0.198	7%	0.067	C	C	.	.	H	α-helix	trans	-59	-40.5	178.7	-51.8	-15.4	0	0	0	111.8	I651 Y671 R684 I685 A692	I651-D688 HydrophobicContact CD1-CB 3.52Å; Y671-D688 WeakPolarHBondContact CE1-OD2 3.46Å; Y671-D688 VanDerWaalsContact CZ-OD2 3.26Å; Y671-D688 PolarHBondContact OH-OD1 3.46Å; Y671-D688 PolarHBondContact OH-OD2 2.68Å; R684-D688 PolarHBondContact O-N 3.45Å; I685-D688 PolarHBondContact O-N 3.23Å; D688-A692 WeakPolarHBondContact O-CB 3.34Å; D688-A692 PolarHBondContact O-N 2.87Å
689	I	96.2	Very high	91.8	Very high	1 Å²	1	11.9 Å²	11.9	1%	0.005	7%	0.066	C	C	.	.	H	α-helix	trans	-61.1	-46.4	173.7	-73.6	171.6	0	0	0	110.8	L543 F547 L550 I651 L660 I685 T687 A692 L693	L543-I689 HydrophobicContact CD1-CD1 3.71Å; L543-I689 HydrophobicContact CG-CD1 4.49Å; F547-I689 HydrophobicContact CD2-CG2 4.35Å; L550-I689 HydrophobicContact CD1-CB 4.17Å; L550-I689 HydrophobicContact CD1-CD1 4.21Å; L550-I689 HydrophobicContact CD1-CG2 4.05Å; I651-I689 HydrophobicContact CD1-CG1 4.12Å; I651-I689 HydrophobicContact CG2-CG1 4.42Å; L660-I689 HydrophobicContact CD2-CG1 4.17Å; L660-I689 HydrophobicContact CD2-CG2 3.81Å; I685-I689 HydrophobicContact CG1-CD1 4.47Å; I685-I689 VanDerWaalsContact O-CG1 3.26Å; I685-I689 WeakPolarHBondContact O-CG1 3.45Å; I685-I689 PolarHBondContact O-N 3.13Å; T687-I689 VanDerWaalsContact C-N 3.29Å; T687-I689 PolarHBondContact O-N 2.93Å; I689-A692 PolarHBondContact O-N 2.95Å; I689-L693 HydrophobicContact CG2-CD1 4.04Å; I689-L693 HydrophobicContact CG2-CG 4.49Å; I689-L693 VanDerWaalsContact O-CG 3.27Å; I689-L693 WeakPolarHBondContact O-CG 3.45Å; I689-L693 PolarHBondContact O-N 3.5Å
690	L	96.4	Very high	91.4	Very high	0 Å²	0	11.9 Å²	11.9	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-69.3	-37.6	-178.3	-78.8	169	0	0	0	112.1	L550 L554 G686 T687 L693 I694 A757 T760 A761	L550-L690 HydrophobicContact CB-CD1 4.49Å; L550-L690 HydrophobicContact CB-CD2 4.22Å; L550-L690 HydrophobicContact CB-CG 4.23Å; L550-L690 HydrophobicContact CD2-CD1 3.48Å; L550-L690 VanDerWaalsContact CD2-CD1 3.48Å; L550-L690 HydrophobicContact CD2-CG 3.96Å; L554-L690 HydrophobicContact CB-CD2 4.1Å; L554-L690 HydrophobicContact CD1-CD2 4.42Å; L554-L690 HydrophobicContact CD2-CD2 4.14Å; L554-L690 HydrophobicContact CG-CD2 4.46Å; G686-L690 PolarHBondContact O-N 3.45Å; T687-L690 CarbonylContact O-C 3.49Å; T687-L690 PolarHBondContact O-N 3.26Å; L690-L693 PolarHBondContact O-N 3.34Å; L690-I694 HydrophobicContact CB-CD1 4.4Å; L690-I694 VanDerWaalsContact O-CB 3.28Å; L690-I694 WeakPolarHBondContact O-CB 3.5Å; L690-I694 WeakPolarHBondContact O-CG1 3.32Å; L690-I694 PolarHBondContact O-N 3.4Å; L690-A757 HydrophobicContact CB-CB 3.75Å; L690-A757 WeakPolarHBondContact CD1-O 3.38Å; L690-T760 HydrophobicContact CD1-CG2 3.78Å; L690-T760 HydrophobicContact CD2-CG2 3.78Å; L690-T760 HydrophobicContact CG-CG2 4.45Å; L690-A761 HydrophobicContact CD1-CB 3.74Å; L690-A761 VanDerWaalsContact CD1-N 3.3Å
691	E	93.3	Very high	90.7	Very high	56 Å²	56	12 Å²	12	26%	0.262	7%	0.067	S	C	.	.	H	α-helix	trans	-59	-48.1	173	-71.5	-171.3	157.4	0	0	110.8	T687 L693 I694 D695 V753 T754 A757	T687-E691 WeakPolarHBondContact O-CG 3.28Å; T687-E691 PolarHBondContact O-N 3.43Å; E691-L693 VanDerWaalsContact C-N 3.29Å; E691-L693 PolarHBondContact O-N 2.98Å; E691-I694 PolarHBondContact O-N 2.82Å; E691-D695 VanDerWaalsContact O-CB 3.25Å; E691-D695 WeakPolarHBondContact O-CB 3.29Å; E691-D695 PolarHBondContact O-N 3.46Å; E691-V753 HydrophobicContact CB-CG1 4.06Å; E691-V753 HydrophobicContact CG-CG1 4.21Å; E691-T754 VanDerWaalsContact OE1-CA 3.32Å; E691-T754 WeakPolarHBondContact OE1-CA 3.3Å; E691-T754 WeakPolarHBondContact OE1-CB 3.31Å; E691-T754 WeakPolarHBondContact OE1-CG2 3.47Å; E691-T754 PolarHBondContact OE1-OG1 2.92Å; E691-A757 HydrophobicContact CB-CB 4.29Å; E691-A757 HydrophobicContact CG-CB 3.4Å; E691-A757 VanDerWaalsContact CG-CB 3.4Å
692	A	93.3	Very high	89.8	Confident	10 Å²	10	15 Å²	15	8%	0.083	8%	0.082	C	C	.	.	H	α-helix	trans	-60.4	-37.4	177.5	0	0	0	0	0	112.9	I651 L660 D688 I689 N696	I651-A692 HydrophobicContact CG2-CB 3.74Å; L660-A692 HydrophobicContact CD1-CB 4.4Å; D688-A692 WeakPolarHBondContact O-CB 3.34Å; D688-A692 PolarHBondContact O-N 2.87Å; I689-A692 PolarHBondContact O-N 2.95Å; A692-N696 PolarHBondContact O-ND2 3.01Å
693	L	93.4	Very high	89	Confident	0 Å²	0	16 Å²	16	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-73.6	-45.9	177.9	-68.1	178.4	0	0	0	112.4	F547 L554 M579 Y653 L660 I689 L690 E691 N696 F697	F547-L693 HydrophobicContact CE2-CD1 4.47Å; L554-L693 HydrophobicContact CD2-CB 4.02Å; L554-L693 HydrophobicContact CD2-CD1 4.16Å; M579-L693 HydrophobicContact CE-CD2 3.73Å; M579-L693 HydrophobicContact SD-CD2 3.46Å; M579-L693 WeakPolarHBondContact SD-CD2 3.49Å; Y653-L693 HydrophobicContact CD2-CD2 4.41Å; L660-L693 HydrophobicContact CD1-CD2 4.1Å; I689-L693 HydrophobicContact CG2-CD1 4.04Å; I689-L693 HydrophobicContact CG2-CG 4.49Å; I689-L693 VanDerWaalsContact O-CG 3.27Å; I689-L693 WeakPolarHBondContact O-CG 3.45Å; I689-L693 PolarHBondContact O-N 3.5Å; L690-L693 PolarHBondContact O-N 3.34Å; E691-L693 VanDerWaalsContact C-N 3.29Å; E691-L693 PolarHBondContact O-N 2.98Å; L693-N696 PolarHBondContact O-N 3.46Å; L693-F697 WeakPolarHBondContact O-CD1 3.16Å; L693-F697 WeakPolarHBondContact O-CE1 3.3Å
694	I	91.3	Very high	88.2	Confident	0 Å²	0	17.8 Å²	17.8	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-70.6	-39.2	-176.1	-66.9	171.3	0	0	0	110.7	L554 L690 E691 N696 F697 Y720 V753 A757	L554-I694 HydrophobicContact CD1-CD1 4.08Å; L554-I694 HydrophobicContact CD1-CG1 3.85Å; L554-I694 HydrophobicContact CD2-CG1 4.46Å; L690-I694 HydrophobicContact CB-CD1 4.4Å; L690-I694 VanDerWaalsContact O-CB 3.28Å; L690-I694 WeakPolarHBondContact O-CB 3.5Å; L690-I694 WeakPolarHBondContact O-CG1 3.32Å; L690-I694 PolarHBondContact O-N 3.4Å; E691-I694 PolarHBondContact O-N 2.82Å; I694-N696 PolarHBondContact O-N 3.24Å; I694-F697 HydrophobicContact CG1-CE2 4.44Å; I694-F697 HydrophobicContact CG1-CZ 4.32Å; I694-F697 VanDerWaalsContact O-CB 3.29Å; I694-F697 WeakPolarHBondContact O-CB 3.31Å; I694-F697 WeakPolarHBondContact O-CG 3.45Å; I694-F697 PolarHBondContact O-N 3.03Å; I694-Y720 WeakPolarHBondContact CG2-OH 3.39Å; I694-V753 HydrophobicContact CB-CG1 4.25Å; I694-V753 HydrophobicContact CG2-CB 4.41Å; I694-V753 HydrophobicContact CG2-CG1 4.24Å; I694-V753 HydrophobicContact CG2-CG2 4.08Å; I694-A757 HydrophobicContact CD1-CB 4.09Å
695	D	87.6	Confident	87.2	Confident	63 Å²	63	19.1 Å²	19.1	34%	0.337	10%	0.103	S	C	.	.	H	α-helix	trans	-58.3	-32.5	177.3	-175.6	50.6	0	0	0	112.5	E691 F697 K749 V753	E691-D695 VanDerWaalsContact O-CB 3.25Å; E691-D695 WeakPolarHBondContact O-CB 3.29Å; E691-D695 PolarHBondContact O-N 3.46Å; D695-F697 VanDerWaalsContact C-N 3.32Å; D695-F697 PolarHBondContact O-N 3.1Å; D695-K749 PolarHBondContact O-NZ 3.13Å; D695-K749 WeakPolarHBondContact OD1-CE 3.29Å; D695-K749 IonicContact OD1-NZ 3.83Å; D695-K749 PolarHBondContact OD1-NZ 2.95Å; D695-V753 HydrophobicContact CB-CG1 4.23Å; D695-V753 HydrophobicContact CB-CG2 4.35Å
696	N	86.9	Confident	85.9	Confident	19 Å²	19	22.4 Å²	22.4	10%	0.102	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.9	2.1	178.9	-78.6	-85.4	0	0	0	114.4	Y653 A692 L693 I694 S698 T699 F700	Y653-N696 HydrophobicContact CD1-CB 3.92Å; Y653-N696 HydrophobicContact CG-CB 4.46Å; A692-N696 PolarHBondContact O-ND2 3.01Å; L693-N696 PolarHBondContact O-N 3.46Å; I694-N696 PolarHBondContact O-N 3.24Å; N696-S698 VanDerWaalsContact C-N 3.31Å; N696-S698 PolarHBondContact O-N 3.49Å; N696-T699 WeakPolarHBondContact O-CA 3.34Å; N696-T699 VanDerWaalsContact O-CB 3.25Å; N696-T699 WeakPolarHBondContact O-CB 3.41Å; N696-T699 PolarHBondContact O-N 3.44Å; N696-F700 HydrophobicContact CB-CE1 3.87Å; N696-F700 HydrophobicContact CB-CZ 4.11Å; N696-F700 WeakPolarHBondContact O-CD1 3.46Å; N696-F700 WeakPolarHBondContact O-CE1 3.35Å; N696-F700 WeakPolarHBondContact O-CG 3.44Å; N696-F700 PolarHBondContact O-N 2.97Å; N696-F700 VanDerWaalsContact O-N 3.11Å
697	F	85.1	Confident	84.6	Confident	0 Å²	0	28.6 Å²	28.6	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-63.4	-36	178.9	-79.7	11.1	0	0	0	113.2	L554 L558 L693 I694 D695 T699 F700 L701 Y720 L874	L554-F697 HydrophobicContact CD1-CE2 4.22Å; L554-F697 HydrophobicContact CD1-CZ 3.73Å; L554-F697 HydrophobicContact CD2-CE1 4.02Å; L554-F697 HydrophobicContact CD2-CZ 3.7Å; L554-F697 HydrophobicContact CG-CZ 3.83Å; L558-F697 HydrophobicContact CD1-CE2 4.19Å; L558-F697 HydrophobicContact CD1-CZ 3.92Å; L558-F697 HydrophobicContact CD2-CD2 4.35Å; L558-F697 HydrophobicContact CD2-CE2 3.59Å; L558-F697 HydrophobicContact CD2-CZ 4.18Å; L558-F697 HydrophobicContact CG-CE2 4.17Å; L558-F697 HydrophobicContact CG-CZ 4.32Å; L693-F697 WeakPolarHBondContact O-CD1 3.16Å; L693-F697 WeakPolarHBondContact O-CE1 3.3Å; I694-F697 HydrophobicContact CG1-CE2 4.44Å; I694-F697 HydrophobicContact CG1-CZ 4.32Å; I694-F697 VanDerWaalsContact O-CB 3.29Å; I694-F697 WeakPolarHBondContact O-CB 3.31Å; I694-F697 WeakPolarHBondContact O-CG 3.45Å; I694-F697 PolarHBondContact O-N 3.03Å; D695-F697 VanDerWaalsContact C-N 3.32Å; D695-F697 PolarHBondContact O-N 3.1Å; F697-T699 PolarHBondContact O-N 3.42Å; F697-F700 AromaticContact CD1-CD2 3.6Å; F697-F700 HydrophobicContact CD1-CD2 3.6Å; F697-F700 AromaticContact CD1-CE2 3.53Å; F697-F700 HydrophobicContact CD1-CE2 3.53Å; F697-F700 HydrophobicContact CD1-CZ 4.45Å; F697-F700 HydrophobicContact CE1-CD2 4.06Å; F697-F700 AromaticContact CE1-CE2 3.72Å; F697-F700 HydrophobicContact CE1-CE2 3.72Å; F697-F700 HydrophobicContact CG-CD2 4.45Å; F697-F700 WeakPolarHBondContact O-CB 3.4Å; F697-F700 PolarHBondContact O-N 2.93Å; F697-L701 WeakPolarHBondContact O-CG 3.02Å; F697-L701 PolarHBondContact O-N 3.44Å; F697-Y720 HydrophobicContact CB-CD2 3.81Å; F697-Y720 HydrophobicContact CB-CE2 3.63Å; F697-Y720 HydrophobicContact CD2-CD2 4.44Å; F697-Y720 AromaticContact CD2-CE2 3.54Å; F697-Y720 HydrophobicContact CD2-CE2 3.54Å; F697-Y720 HydrophobicContact CG-CE2 4.08Å; F697-L874 HydrophobicContact CD2-CD1 4.3Å; F697-L874 HydrophobicContact CE2-CD1 3.66Å
698	S	78.3	Confident	82.9	Confident	40 Å²	40	30.9 Å²	30.9	28%	0.28	17%	0.168	S	C	.	.	H	α-helix	trans	-54	-44.1	171.4	56.7	0	0	0	0	111.5	N696 F700 L701 L702	N696-S698 VanDerWaalsContact C-N 3.31Å; N696-S698 PolarHBondContact O-N 3.49Å; S698-F700 VanDerWaalsContact C-N 3.34Å; S698-F700 PolarHBondContact O-N 2.94Å; S698-L701 PolarHBondContact O-N 3.3Å; S698-L702 WeakPolarHBondContact O-CG 3.02Å; S698-L702 PolarHBondContact O-N 3.18Å
699	T	79.4	Confident	80.6	Confident	15 Å²	15	35.5 Å²	35.5	9%	0.092	20%	0.198	C	C	.	.	H	α-helix	trans	-63.6	-37.8	175.1	-50.4	0	0	0	0	112.8	F313 N655 N696 F697 L701 L702 Q703	F313-T699 HydrophobicContact CD1-CG2 3.69Å; F313-T699 HydrophobicContact CE1-CG2 3.26Å; F313-T699 HydrophobicContact CZ-CG2 4.08Å; N655-T699 HydrophobicContact CB-CG2 4.33Å; N655-T699 VanDerWaalsContact CG-CG2 3.44Å; N655-T699 WeakPolarHBondContact OD1-CG2 3.44Å; N696-T699 WeakPolarHBondContact O-CA 3.34Å; N696-T699 VanDerWaalsContact O-CB 3.25Å; N696-T699 WeakPolarHBondContact O-CB 3.41Å; N696-T699 PolarHBondContact O-N 3.44Å; F697-T699 PolarHBondContact O-N 3.42Å; T699-L701 VanDerWaalsContact C-N 3.31Å; T699-L701 PolarHBondContact O-N 3.25Å; T699-L702 PolarHBondContact O-N 3.4Å; T699-Q703 WeakPolarHBondContact O-CG 3.38Å; T699-Q703 PolarHBondContact O-N 3.04Å
700	F	84.1	Confident	78	Confident	0 Å²	0	41.3 Å²	41.3	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-65.7	-39.1	178.8	-58	-6.6	0	0	0	111	F571 I572 K575 L576 M579 Y653 N696 F697 S698 Q703 F704	F571-F700 VanDerWaalsContact CE1-O 3.3Å; F571-F700 WeakPolarHBondContact CE1-O 3.39Å; I572-F700 HydrophobicContact CD1-CB 4.43Å; I572-F700 HydrophobicContact CG1-CB 4.04Å; I572-F700 HydrophobicContact CG1-CD2 4.39Å; I572-F700 HydrophobicContact CG2-CD2 4.03Å; K575-F700 HydrophobicContact CD-CB 4.23Å; K575-F700 HydrophobicContact CD-CD1 3.77Å; K575-F700 HydrophobicContact CD-CD2 4.24Å; K575-F700 HydrophobicContact CD-CE1 4.19Å; K575-F700 HydrophobicContact CD-CG 3.81Å; L576-F700 HydrophobicContact CD2-CE2 4.41Å; M579-F700 HydrophobicContact CE-CZ 4.4Å; Y653-F700 AromaticContact CD1-CE1 3.87Å; Y653-F700 HydrophobicContact CD1-CE1 3.87Å; Y653-F700 HydrophobicContact CD1-CZ 4.29Å; Y653-F700 HydrophobicContact CE1-CD1 4.34Å; Y653-F700 AromaticContact CE1-CE1 3.31Å; Y653-F700 HydrophobicContact CE1-CE1 3.31Å; Y653-F700 AromaticContact CE1-CZ 3.93Å; Y653-F700 HydrophobicContact CE1-CZ 3.93Å; Y653-F700 HydrophobicContact CE2-CZ 4.49Å; Y653-F700 AromaticContact CZ-CE1 3.71Å; N696-F700 HydrophobicContact CB-CE1 3.87Å; N696-F700 HydrophobicContact CB-CZ 4.11Å; N696-F700 WeakPolarHBondContact O-CD1 3.46Å; N696-F700 WeakPolarHBondContact O-CE1 3.35Å; N696-F700 WeakPolarHBondContact O-CG 3.44Å; N696-F700 PolarHBondContact O-N 2.97Å; N696-F700 VanDerWaalsContact O-N 3.11Å; F697-F700 AromaticContact CD1-CD2 3.6Å; F697-F700 HydrophobicContact CD1-CD2 3.6Å; F697-F700 AromaticContact CD1-CE2 3.53Å; F697-F700 HydrophobicContact CD1-CE2 3.53Å; F697-F700 HydrophobicContact CD1-CZ 4.45Å; F697-F700 HydrophobicContact CE1-CD2 4.06Å; F697-F700 AromaticContact CE1-CE2 3.72Å; F697-F700 HydrophobicContact CE1-CE2 3.72Å; F697-F700 HydrophobicContact CG-CD2 4.45Å; F697-F700 WeakPolarHBondContact O-CB 3.4Å; F697-F700 PolarHBondContact O-N 2.93Å; S698-F700 VanDerWaalsContact C-N 3.34Å; S698-F700 PolarHBondContact O-N 2.94Å; F700-Q703 PolarHBondContact O-N 3.28Å; F700-F704 PolarHBondContact O-N 2.92Å
701	L	79.3	Confident	75.5	Confident	4 Å²	4	48.4 Å²	48.4	2%	0.021	27%	0.265	C	S	.	.	H	α-helix	trans	-68.4	-38.9	176.5	-65.6	169.2	0	0	0	111.8	L564 A568 I572 F697 S698 T699 Q703 F704 N705 I718 Y720	L564-L701 HydrophobicContact CD1-CD2 3.91Å; A568-L701 HydrophobicContact CB-CD2 3.98Å; I572-L701 HydrophobicContact CD1-CD2 4.03Å; I572-L701 HydrophobicContact CD1-CG 4.45Å; F697-L701 WeakPolarHBondContact O-CG 3.02Å; F697-L701 PolarHBondContact O-N 3.44Å; S698-L701 PolarHBondContact O-N 3.3Å; T699-L701 VanDerWaalsContact C-N 3.31Å; T699-L701 PolarHBondContact O-N 3.25Å; L701-Q703 VanDerWaalsContact C-N 3.33Å; L701-Q703 PolarHBondContact O-N 3.03Å; L701-F704 WeakPolarHBondContact O-CB 3.41Å; L701-F704 PolarHBondContact O-N 3.05Å; L701-N705 PolarHBondContact O-N 2.92Å; L701-I718 HydrophobicContact CD1-CB 4.11Å; L701-I718 HydrophobicContact CD1-CG2 3.84Å; L701-I718 HydrophobicContact CD2-CD1 4.11Å; L701-I718 HydrophobicContact CD2-CG2 4.41Å; L701-Y720 HydrophobicContact CD1-CD2 4.38Å
702	L	76.2	Confident	72.8	Confident	61 Å²	61	50.7 Å²	50.7	32%	0.319	29%	0.287	S	S	.	.	H	α-helix	trans	-59.9	-44	172.6	-70.2	173.2	0	0	0	111.5	F313 S698 T699 F704 N705 T706	F313-L702 HydrophobicContact CD2-CD1 4.46Å; F313-L702 HydrophobicContact CE2-CD1 4.47Å; S698-L702 WeakPolarHBondContact O-CG 3.02Å; S698-L702 PolarHBondContact O-N 3.18Å; T699-L702 PolarHBondContact O-N 3.4Å; L702-F704 VanDerWaalsContact C-N 3.33Å; L702-F704 PolarHBondContact O-N 3.44Å; L702-N705 PolarHBondContact O-N 2.94Å; L702-T706 WeakPolarHBondContact O-CG2 3.36Å; L702-T706 PolarHBondContact O-N 3.31Å; L702-T706 VanDerWaalsContact O-N 3.11Å; L702-T706 PolarHBondContact O-OG1 3.32Å
703	Q	78.2	Confident	70.2	Confident	23 Å²	23	56.6 Å²	56.6	11%	0.107	32%	0.318	C	S	.	.	H	α-helix	trans	-66.9	-32.5	176.2	-71.5	-179.3	-24.2	0	0	113.4	F313 F571 K575 T699 F700 L701 T706 Q707	F313-Q703 HydrophobicContact CB-CG 4.43Å; F313-Q703 HydrophobicContact CD1-CG 4.37Å; F571-Q703 HydrophobicContact CE1-CB 4.3Å; F571-Q703 HydrophobicContact CZ-CB 4.11Å; K575-Q703 VanDerWaalsContact CE-OE1 3.24Å; T699-Q703 WeakPolarHBondContact O-CG 3.38Å; T699-Q703 PolarHBondContact O-N 3.04Å; F700-Q703 PolarHBondContact O-N 3.28Å; L701-Q703 VanDerWaalsContact C-N 3.33Å; L701-Q703 PolarHBondContact O-N 3.03Å; Q703-T706 PolarHBondContact O-OG1 3.47Å; Q703-T706 VanDerWaalsContact O-OG1 3.08Å; Q703-Q707 VanDerWaalsContact O-CG 3.29Å; Q703-Q707 WeakPolarHBondContact O-CG 3.27Å; Q703-Q707 PolarHBondContact O-N 3.07Å
704	F	79.3	Confident	67.6	Low	36 Å²	36	60.1 Å²	60.1	16%	0.158	35%	0.346	C	S	.	.	H	α-helix	trans	-63.2	-48.8	173	170.9	-106.4	0	0	0	110.7	A567 A568 F571 F700 L701 L702 T706 Q707 S708	A567-F704 HydrophobicContact CB-CE2 4.18Å; A567-F704 HydrophobicContact CB-CZ 3.79Å; A568-F704 HydrophobicContact CB-CD1 4Å; A568-F704 HydrophobicContact CB-CE1 3.94Å; A568-F704 HydrophobicContact CB-CG 4.41Å; A568-F704 HydrophobicContact CB-CZ 4.29Å; F571-F704 HydrophobicContact CB-CD2 3.63Å; F571-F704 HydrophobicContact CB-CE2 4.25Å; F571-F704 HydrophobicContact CB-CG 4.42Å; F571-F704 HydrophobicContact CD1-CB 3.75Å; F571-F704 HydrophobicContact CD1-CD2 4.31Å; F571-F704 HydrophobicContact CD1-CG 4.45Å; F571-F704 HydrophobicContact CD2-CD2 4.08Å; F571-F704 HydrophobicContact CE1-CB 3.99Å; F571-F704 HydrophobicContact CG-CB 4.05Å; F571-F704 AromaticContact CG-CD2 3.75Å; F571-F704 HydrophobicContact CG-CD2 3.75Å; F571-F704 HydrophobicContact CG-CG 4.33Å; F571-F704 HydrophobicContact CZ-CB 4.49Å; F700-F704 PolarHBondContact O-N 2.92Å; L701-F704 WeakPolarHBondContact O-CB 3.41Å; L701-F704 PolarHBondContact O-N 3.05Å; L702-F704 VanDerWaalsContact C-N 3.33Å; L702-F704 PolarHBondContact O-N 3.44Å; F704-T706 VanDerWaalsContact C-N 3.31Å; F704-T706 PolarHBondContact O-N 2.86Å; F704-Q707 PolarHBondContact O-N 3.41Å; F704-Q707 VanDerWaalsContact O-N 3.15Å; F704-S708 PolarHBondContact O-N 3.19Å; F704-S708 VanDerWaalsContact O-N 3.14Å
705	N	72.5	Confident	65.1	Low	36 Å²	36	61.8 Å²	61.8	19%	0.193	36%	0.36	C	S	.	.	H	α-helix	trans	-62.8	-34.8	-179.4	-69.2	-6.5	0	0	0	112.9	L701 L702 Q707 S708	L701-N705 PolarHBondContact O-N 2.92Å; L702-N705 PolarHBondContact O-N 2.94Å; N705-Q707 VanDerWaalsContact C-N 3.32Å; N705-S708 PolarHBondContact O-OG 3.09Å
706	T	67.8	Low	62.9	Low	69 Å²	69	64.6 Å²	64.6	42%	0.423	38%	0.382	S	S	.	.	H	α-helix	trans	-74.7	-21.4	178.3	58	0	0	0	0	113.4	F313 L702 Q703 F704	F313-T706 PolarHBondContact O-OG1 2.94Å; L702-T706 WeakPolarHBondContact O-CG2 3.36Å; L702-T706 PolarHBondContact O-N 3.31Å; L702-T706 VanDerWaalsContact O-N 3.11Å; L702-T706 PolarHBondContact O-OG1 3.32Å; Q703-T706 PolarHBondContact O-OG1 3.47Å; Q703-T706 VanDerWaalsContact O-OG1 3.08Å; F704-T706 VanDerWaalsContact C-N 3.31Å; F704-T706 PolarHBondContact O-N 2.86Å
707	Q	68.1	Low	60.9	Low	130 Å²	130	68.6 Å²	68.6	61%	0.607	40%	0.4	S	S	*	.	H	α-helix	trans	-93	-20.3	179.7	-69.1	-178.9	19.8	0	0	113.3	Q703 F704 N705	Q703-Q707 VanDerWaalsContact O-CG 3.29Å; Q703-Q707 WeakPolarHBondContact O-CG 3.27Å; Q703-Q707 PolarHBondContact O-N 3.07Å; F704-Q707 PolarHBondContact O-N 3.41Å; F704-Q707 VanDerWaalsContact O-N 3.15Å; N705-Q707 VanDerWaalsContact C-N 3.32Å
708	S	59.8	Low	58.9	Low	49 Å²	49	70.7 Å²	70.7	34%	0.343	41%	0.411	S	S	.	.	S	Bend	trans	-75.5	122.4	171.8	57.8	0	0	0	0	110.7	F704 N705 D710	F704-S708 PolarHBondContact O-N 3.19Å; F704-S708 VanDerWaalsContact O-N 3.14Å; N705-S708 PolarHBondContact O-OG 3.09Å; S708-D710 VanDerWaalsContact C-N 3.26Å; S708-D710 PolarHBondContact O-N 3.03Å
709	T	47.1	Very low	57.7	Low	134 Å²	134	76.4 Å²	76.4	82%	0.822	43%	0.426	S	S	*	.	S	Bend	trans	-73.3	-3.7	-172.6	31.4	0	0	0	0	115.6	I711	T709-I711 PolarHBondContact O-N 3.07Å
710	D	41.7	Very low	56.4	Low	122 Å²	122	76.8 Å²	76.8	65%	0.652	43%	0.426	S	S	*	.			trans	-92.3	82.8	174.6	-85.7	-34	0	0	0	111.3	S708 S712	S708-D710 VanDerWaalsContact C-N 3.26Å; S708-D710 PolarHBondContact O-N 3.03Å; D710-S712 PolarHBondContact O-N 2.75Å
711	I	43	Very low	54.9	Low	149 Å²	149	77.2 Å²	77.2	76%	0.764	43%	0.43	S	S	*	.	G	3₁₀ helix	trans	-77.7	-5.9	-176	-60.9	169.2	0	0	0	112.4	T709	T709-I711 PolarHBondContact O-N 3.07Å
712	S	36.5	Very low	53.9	Low	104 Å²	104	82.7 Å²	82.7	73%	0.727	46%	0.455	S	S	*	.	G	3₁₀ helix	trans	-81	-17.5	175.3	56.7	0	0	0	0	114	D710	D710-S712 PolarHBondContact O-N 2.75Å
713	D	39	Very low	53.4	Low	135 Å²	135	80.8 Å²	80.8	72%	0.722	45%	0.446	S	S	*	.	G	3₁₀ helix	trans	-123.5	47	177	-69.8	-36.1	0	0	0	109.7	A715	D713-A715 VanDerWaalsContact C-N 3.31Å; D713-A715 PolarHBondContact O-N 2.05Å
714	A	38.3	Very low	53	Low	73 Å²	73	82.5 Å²	82.5	60%	0.603	46%	0.456	S	S	*	.			trans	-53.8	104	165.8	0	0	0	0	0	106.9
715	A	38.8	Very low	52.7	Low	35 Å²	35	81.9 Å²	81.9	29%	0.289	46%	0.455	S	S	.	.			trans	-51.6	119.7	-178.1	0	0	0	0	0	106.3	D713 E717 I718	D713-A715 VanDerWaalsContact C-N 3.31Å; D713-A715 PolarHBondContact O-N 2.05Å; A715-E717 PolarHBondContact O-N 3.21Å; A715-I718 HydrophobicContact CB-CD1 4.47Å; A715-I718 HydrophobicContact CB-CG1 3.96Å
716	P	41.5	Very low	52.6	Low	122 Å²	122	86 Å²	86	79%	0.792	48%	0.478	S	S	*	.	S	Bend	trans	-51.7	121.6	175.6	21.9	-30.7	0	0	0	104.4	I718	P716-I718 PolarHBondContact O-N 3.38Å; P716-I718 VanDerWaalsContact O-N 3.08Å
717	E	45.4	Very low	52.8	Low	104 Å²	104	83.5 Å²	83.5	49%	0.486	46%	0.462	S	S	.	.			trans	-2.1	101.7	-173.1	-80.1	179.8	141.4	0	0	110	I395 A715 R719	I395-E717 HydrophobicContact CD1-CG 4.43Å; A715-E717 PolarHBondContact O-N 3.21Å; E717-R719 WeakPolarHBondContact O-CA 3.33Å; E717-R719 WeakPolarHBondContact O-CG 3.29Å; E717-R719 PolarHBondContact O-N 3.37Å
718	I	43.1	Very low	53	Low	43 Å²	43	77.4 Å²	77.4	22%	0.221	43%	0.434	C	S	.	.			trans	-51.4	100.4	170.1	-66.2	172.2	0	0	0	103.6	L701 A715 P716 Y720	L701-I718 HydrophobicContact CD1-CB 4.11Å; L701-I718 HydrophobicContact CD1-CG2 3.84Å; L701-I718 HydrophobicContact CD2-CD1 4.11Å; L701-I718 HydrophobicContact CD2-CG2 4.41Å; A715-I718 HydrophobicContact CB-CD1 4.47Å; A715-I718 HydrophobicContact CB-CG1 3.96Å; P716-I718 PolarHBondContact O-N 3.38Å; P716-I718 VanDerWaalsContact O-N 3.08Å; I718-Y720 PolarHBondContact O-N 3.36Å
719	R	52.3	Low	53.5	Low	161 Å²	161	75.4 Å²	75.4	61%	0.608	42%	0.421	S	S	*	.			trans	-72.2	93	-166.6	-75.9	-168.2	-175.2	-161.2	0.9	102.1	E717 A721 Q722	E717-R719 WeakPolarHBondContact O-CA 3.33Å; E717-R719 WeakPolarHBondContact O-CG 3.29Å; E717-R719 PolarHBondContact O-N 3.37Å; R719-A721 WeakPolarHBondContact O-CA 3.45Å; R719-A721 PolarHBondContact O-N 2.68Å; R719-Q722 HydrophobicContact CB-CG 3.96Å
720	Y	52	Low	54.4	Low	23 Å²	23	71 Å²	71	9%	0.09	40%	0.397	C	S	.	.	T	Hydrogen-bonded Turn	trans	-44.5	114.1	180	174.3	-100.4	0	0	0	105.9	W563 I694 F697 L701 I718 Q722 H752	W563-Y720 AromaticContact CH2-CD2 3.67Å; W563-Y720 HydrophobicContact CH2-CD2 3.67Å; W563-Y720 AromaticContact CH2-CE2 3.45Å; W563-Y720 HydrophobicContact CH2-CE2 3.45Å; W563-Y720 VanDerWaalsContact CH2-CE2 3.45Å; W563-Y720 HydrophobicContact CZ2-CD2 4.44Å; W563-Y720 AromaticContact CZ2-CE2 3.86Å; W563-Y720 HydrophobicContact CZ2-CE2 3.86Å; W563-Y720 HydrophobicContact CZ3-CD2 4.12Å; W563-Y720 HydrophobicContact CZ3-CE2 4.34Å; I694-Y720 WeakPolarHBondContact CG2-OH 3.39Å; F697-Y720 HydrophobicContact CB-CD2 3.81Å; F697-Y720 HydrophobicContact CB-CE2 3.63Å; F697-Y720 HydrophobicContact CD2-CD2 4.44Å; F697-Y720 AromaticContact CD2-CE2 3.54Å; F697-Y720 HydrophobicContact CD2-CE2 3.54Å; F697-Y720 HydrophobicContact CG-CE2 4.08Å; L701-Y720 HydrophobicContact CD1-CD2 4.38Å; I718-Y720 PolarHBondContact O-N 3.36Å; Y720-Q722 PolarHBondContact O-N 3.31Å; Y720-Q722 VanDerWaalsContact O-N 3.11Å; Y720-H752 AromaticContact CE1-ND1 3.82Å
721	A	52.8	Low	55.5	Low	9 Å²	9	68.6 Å²	68.6	7%	0.074	40%	0.402	C	S	.	.	T	Hydrogen-bonded Turn	trans	-7.2	97.3	-159.7	0	0	0	0	0	112.2	W563 R719 P723 N872	W563-A721 HydrophobicContact CD2-CB 4.25Å; R719-A721 WeakPolarHBondContact O-CA 3.45Å; R719-A721 PolarHBondContact O-N 2.68Å; A721-P723 WeakPolarHBondContact O-CD 3.27Å; A721-N872 HydrophobicContact CB-CB 4.11Å
722	Q	59.7	Low	56.8	Low	118 Å²	118	62.8 Å²	62.8	55%	0.551	37%	0.372	S	S	*	.			trans	-50	118	169	-76.1	-149.1	-43.2	0	0	106.1	R719 Y720 D724 N872	R719-Q722 HydrophobicContact CB-CG 3.96Å; Y720-Q722 PolarHBondContact O-N 3.31Å; Y720-Q722 VanDerWaalsContact O-N 3.11Å; Q722-D724 PolarHBondContact O-N 3.17Å; Q722-N872 PolarHBondContact O-ND2 2.86Å
723	P	63.8	Low	58.4	Low	21 Å²	21	61.4 Å²	61.4	14%	0.136	36%	0.36	C	S	.	.			trans	-54.7	134	-177.1	12.2	-23.5	0	0	0	107.3	A721 V725 L728 L748 H752	A721-P723 WeakPolarHBondContact O-CD 3.27Å; P723-V725 VanDerWaalsContact C-N 3.25Å; P723-V725 PolarHBondContact O-N 3.16Å; P723-L728 HydrophobicContact CB-CD1 3.6Å; P723-L748 HydrophobicContact CG-CB 3.56Å; P723-L748 HydrophobicContact CG-CD1 4.49Å; P723-L748 HydrophobicContact CG-CD2 4.31Å; P723-L748 HydrophobicContact CG-CG 4.33Å; P723-H752 HydrophobicContact CB-CB 4.14Å
724	D	70.3	Confident	59.9	Low	60 Å²	60	60.5 Å²	60.5	32%	0.321	36%	0.362	S	S	.	.			trans	-77	92.7	-177.8	178.9	-4.4	0	0	0	105.1	Q722 N726 C727 L728 N872	Q722-D724 PolarHBondContact O-N 3.17Å; D724-N726 PolarHBondContact O-N 3.02Å; D724-N726 WeakPolarHBondContact OD1-CB 3.37Å; D724-N726 PolarHBondContact OD1-N 2.65Å; D724-C727 HydrophobicContact CB-CB 3.81Å; D724-C727 CarbonylContact O-C 3.58Å; D724-C727 WeakPolarHBondContact O-CA 3.48Å; D724-C727 WeakPolarHBondContact O-CB 2.97Å; D724-C727 PolarHBondContact O-N 3.29Å; D724-C727 PolarHBondContact OD1-N 3.15Å; D724-L728 WeakPolarHBondContact O-CG 3.4Å; D724-L728 PolarHBondContact O-N 3.09Å; D724-N872 PolarHBondContact N-ND2 3.41Å
725	V	72.3	Confident	61.3	Low	23 Å²	23	64.7 Å²	64.7	14%	0.139	36%	0.362	C	S	.	.	H	α-helix	trans	-58.7	-33.4	-175.4	-175	0	0	0	0	110.1	P723 C727 L728 A729 L740 N741 L748	P723-V725 VanDerWaalsContact C-N 3.25Å; P723-V725 PolarHBondContact O-N 3.16Å; V725-C727 VanDerWaalsContact C-N 3.32Å; V725-C727 PolarHBondContact O-N 3.34Å; V725-L728 PolarHBondContact O-N 3.4Å; V725-A729 WeakPolarHBondContact O-CB 3.45Å; V725-A729 PolarHBondContact O-N 2.92Å; V725-L740 HydrophobicContact CG1-CB 3.9Å; V725-N741 VanDerWaalsContact CG1-OD1 3.25Å; V725-N741 WeakPolarHBondContact CG1-OD1 3.48Å; V725-L748 HydrophobicContact CG2-CD1 4.06Å; V725-L748 HydrophobicContact CG2-CD2 4.11Å
726	N	72.3	Confident	62.6	Low	123 Å²	123	63.7 Å²	63.7	66%	0.658	35%	0.352	S	S	*	.	H	α-helix	trans	-65	-38.6	174.7	-61	-46.8	0	0	0	111.5	D724 A730	D724-N726 PolarHBondContact O-N 3.02Å; D724-N726 WeakPolarHBondContact OD1-CB 3.37Å; D724-N726 PolarHBondContact OD1-N 2.65Å; N726-A730 PolarHBondContact O-N 3.22Å
727	C	71.9	Confident	64	Low	15 Å²	15	60 Å²	60	10%	0.101	33%	0.327	C	S	.	.	H	α-helix	trans	-67.7	-47.8	173.2	-171.8	0	0	0	0	111.9	D724 V725 A729 A730 H853 C870	D724-C727 HydrophobicContact CB-CB 3.81Å; D724-C727 CarbonylContact O-C 3.58Å; D724-C727 WeakPolarHBondContact O-CA 3.48Å; D724-C727 WeakPolarHBondContact O-CB 2.97Å; D724-C727 PolarHBondContact O-N 3.29Å; D724-C727 PolarHBondContact OD1-N 3.15Å; V725-C727 VanDerWaalsContact C-N 3.32Å; V725-C727 PolarHBondContact O-N 3.34Å; C727-A729 PolarHBondContact O-N 3.43Å; C727-A730 WeakPolarHBondContact O-CB 3.44Å; C727-A730 PolarHBondContact O-N 3.29Å; C727-H853 PolarHBondContact O-CE1 3.26Å; C727-C870 HydrophobicContact CB-CB 3.97Å; C727-C870 WeakPolarHBondContact CB-SG 2.86Å; C727-C870 WeakPolarHBondContact SG-CA 3.36Å; C727-C870 WeakPolarHBondContact SG-CB 3.33Å; C727-C870 PolarHBondContact SG-N 3.29Å; C727-C870 CovalentContact SG-SG 2.03Å; C727-C870 PolarHBondContact SG-SG 3.17Å
728	L	70.6	Confident	65.1	Low	3 Å²	3	60.3 Å²	60.3	2%	0.016	33%	0.328	C	S	.	.	H	α-helix	trans	-61.9	-35.5	-178.6	-68.5	175.6	0	0	0	112.4	P723 D724 V725 A730 F751 L755 H853	P723-L728 HydrophobicContact CB-CD1 3.6Å; D724-L728 WeakPolarHBondContact O-CG 3.4Å; D724-L728 PolarHBondContact O-N 3.09Å; V725-L728 PolarHBondContact O-N 3.4Å; L728-A730 VanDerWaalsContact C-N 3.3Å; L728-F751 HydrophobicContact CB-CE1 4.01Å; L728-F751 HydrophobicContact CD1-CD1 3.65Å; L728-F751 HydrophobicContact CD1-CE1 3.69Å; L728-F751 HydrophobicContact CD2-CD1 4.17Å; L728-F751 HydrophobicContact CD2-CE1 3.62Å; L728-F751 HydrophobicContact CD2-CZ 4.16Å; L728-F751 HydrophobicContact CG-CD1 4.4Å; L728-F751 HydrophobicContact CG-CE1 3.97Å; L728-L755 HydrophobicContact CD2-CD1 3.61Å; L728-H853 PolarHBondContact O-NE2 3.35Å
729	A	70.3	Confident	66.3	Low	7 Å²	7	60.1 Å²	60.1	6%	0.058	33%	0.326	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.4	-3.5	177.4	0	0	0	0	0	113.4	V725 C727 G731 Q732 V737 L740	V725-A729 WeakPolarHBondContact O-CB 3.45Å; V725-A729 PolarHBondContact O-N 2.92Å; C727-A729 PolarHBondContact O-N 3.43Å; A729-G731 PolarHBondContact O-N 3.06Å; A729-Q732 WeakPolarHBondContact O-CB 3.48Å; A729-Q732 PolarHBondContact O-N 3.25Å; A729-Q732 VanDerWaalsContact O-N 3.11Å; A729-V737 HydrophobicContact CB-CB 4.04Å; A729-V737 HydrophobicContact CB-CG1 3.88Å; A729-V737 HydrophobicContact CB-CG2 3.74Å; A729-L740 HydrophobicContact CB-CD1 3.8Å
730	A	67.9	Low	67.1	Low	40 Å²	40	52.7 Å²	52.7	33%	0.331	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.4	125.1	178.8	0	0	0	0	0	110.6	N726 C727 L728 Q732	N726-A730 PolarHBondContact O-N 3.22Å; C727-A730 WeakPolarHBondContact O-CB 3.44Å; C727-A730 PolarHBondContact O-N 3.29Å; L728-A730 VanDerWaalsContact C-N 3.3Å; A730-Q732 PolarHBondContact O-N 2.87Å
731	G	64.3	Low	68.1	Low	73 Å²	73	56.1 Å²	56.1	75%	0.753	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.3	4.7	-177.7	0	0	0	0	0	114.6	A729	A729-G731 PolarHBondContact O-N 3.06Å
732	Q	69.3	Low	69	Low	27 Å²	27	62 Å²	62	13%	0.126	34%	0.344	C	S	.	.	S	Bend	trans	-93.1	157.6	176.3	-64.3	-62.5	-26.7	0	0	112.3	A729 A730 L736	A729-Q732 WeakPolarHBondContact O-CB 3.48Å; A729-Q732 PolarHBondContact O-N 3.25Å; A729-Q732 VanDerWaalsContact O-N 3.11Å; A730-Q732 PolarHBondContact O-N 2.87Å; Q732-L736 HydrophobicContact CB-CB 4.41Å; Q732-L736 HydrophobicContact CB-CD2 4.02Å; Q732-L736 HydrophobicContact CG-CD2 3.99Å; Q732-L736 VanDerWaalsContact OE1-CD2 3.29Å
733	P	70.1	Confident	69.6	Low	75 Å²	75	57.6 Å²	57.6	49%	0.487	32%	0.324	S	S	.	.			trans	-58.8	145.6	175	-22.2	32.8	0	0	0	111.9	R735 L736 V737	P733-R735 PolarHBondContact O-N 3.35Å; P733-L736 PolarHBondContact O-N 2.95Å; P733-V737 WeakPolarHBondContact O-CG2 3.26Å; P733-V737 PolarHBondContact O-N 3.39Å
734	P	70.3	Confident	70	Confident	116 Å²	116	58.6 Å²	58.6	75%	0.753	33%	0.332	S	S	*	.	H	α-helix	trans	-53.6	-31.8	-179.3	-27.9	34.2	0	0	0	114.6	V737 H738	P734-V737 WeakPolarHBondContact O-CB 3.32Å; P734-V737 PolarHBondContact O-N 3.5Å; P734-H738 PolarHBondContact O-N 2.61Å
735	R	68	Low	70.1	Confident	160 Å²	160	59.9 Å²	59.9	60%	0.604	35%	0.345	S	S	*	.	H	α-helix	trans	-64	-44.8	175.7	-177.8	176.9	172.5	166.9	0.6	112.1	P733 V737 H738 E739	P733-R735 PolarHBondContact O-N 3.35Å; R735-V737 VanDerWaalsContact C-N 3.31Å; R735-V737 PolarHBondContact O-N 3.11Å; R735-H738 WeakPolarHBondContact O-CB 3.5Å; R735-H738 PolarHBondContact O-N 3.3Å; R735-E739 WeakPolarHBondContact CG-OE1 3.49Å; R735-E739 IonicContact CZ-OE1 3.68Å; R735-E739 IonicContact NE-OE1 2.74Å; R735-E739 PolarHBondContact NE-OE1 2.9Å; R735-E739 IonicContact NH2-OE1 3.03Å; R735-E739 WeakPolarHBondContact O-CG 3.45Å; R735-E739 PolarHBondContact O-N 2.78Å
736	L	66.2	Low	70.3	Confident	15 Å²	15	63.5 Å²	63.5	8%	0.079	36%	0.364	C	S	.	.	H	α-helix	trans	-68.6	-32.7	178.8	-173.4	62	0	0	0	111.4	Q732 P733 H738 E739 L740 Y845	Q732-L736 HydrophobicContact CB-CB 4.41Å; Q732-L736 HydrophobicContact CB-CD2 4.02Å; Q732-L736 HydrophobicContact CG-CD2 3.99Å; Q732-L736 VanDerWaalsContact OE1-CD2 3.29Å; P733-L736 PolarHBondContact O-N 2.95Å; L736-H738 VanDerWaalsContact C-N 3.31Å; L736-H738 PolarHBondContact O-N 3.44Å; L736-E739 PolarHBondContact O-N 3.03Å; L736-L740 HydrophobicContact CD1-CG 4.39Å; L736-L740 HydrophobicContact CG-CD1 4.22Å; L736-L740 HydrophobicContact CG-CG 4.24Å; L736-L740 WeakPolarHBondContact O-CB 3.4Å; L736-L740 WeakPolarHBondContact O-CG 3.31Å; L736-L740 PolarHBondContact O-N 2.84Å; L736-Y845 HydrophobicContact CD1-CD1 3.9Å; L736-Y845 HydrophobicContact CD1-CD2 4.36Å; L736-Y845 HydrophobicContact CD1-CE1 3.77Å; L736-Y845 HydrophobicContact CD1-CE2 4.22Å; L736-Y845 HydrophobicContact CD1-CG 4.21Å; L736-Y845 HydrophobicContact CD2-CD1 3.78Å; L736-Y845 HydrophobicContact CD2-CE1 4.07Å; L736-Y845 HydrophobicContact CG-CE1 4.5Å
737	V	70.3	Confident	70.4	Confident	44 Å²	44	57.7 Å²	57.7	27%	0.267	33%	0.333	S	S	.	.	H	α-helix	trans	-59.7	-43	173.5	-179	0	0	0	0	110.9	A729 P733 P734 R735 N741	A729-V737 HydrophobicContact CB-CB 4.04Å; A729-V737 HydrophobicContact CB-CG1 3.88Å; A729-V737 HydrophobicContact CB-CG2 3.74Å; P733-V737 WeakPolarHBondContact O-CG2 3.26Å; P733-V737 PolarHBondContact O-N 3.39Å; P734-V737 WeakPolarHBondContact O-CB 3.32Å; P734-V737 PolarHBondContact O-N 3.5Å; R735-V737 VanDerWaalsContact C-N 3.31Å; R735-V737 PolarHBondContact O-N 3.11Å; V737-N741 PolarHBondContact O-N 3.11Å; V737-N741 PolarHBondContact O-ND2 3.35Å
738	H	69.2	Low	70.7	Confident	111 Å²	111	58 Å²	58	51%	0.514	33%	0.333	S	S	.	.	H	α-helix	trans	-65.5	-48.9	175.7	-171.2	-78.1	0	0	0	111.3	P734 R735 L736 L740 N741 E742	P734-H738 PolarHBondContact O-N 2.61Å; R735-H738 WeakPolarHBondContact O-CB 3.5Å; R735-H738 PolarHBondContact O-N 3.3Å; L736-H738 VanDerWaalsContact C-N 3.31Å; L736-H738 PolarHBondContact O-N 3.44Å; H738-L740 VanDerWaalsContact C-N 3.31Å; H738-L740 PolarHBondContact O-N 2.9Å; H738-N741 PolarHBondContact O-N 3.01Å; H738-N741 VanDerWaalsContact O-N 3.1Å; H738-E742 IonicContact CE1-OE1 2.72Å; H738-E742 PolarHBondContact CE1-OE1 2.83Å; H738-E742 IonicContact CE1-OE2 3.92Å; H738-E742 PolarHBondContact CE1-OE2 3.44Å; H738-E742 IonicContact ND1-OE1 3.94Å; H738-E742 IonicContact ND1-OE2 2.6Å; H738-E742 PolarHBondContact ND1-OE2 3.47Å; H738-E742 PolarHBondContact O-N 2.89Å
739	E	67.6	Low	71.2	Confident	38 Å²	38	60.1 Å²	60.1	18%	0.178	34%	0.343	C	S	.	.	H	α-helix	trans	-58	-42.2	178.9	-70.4	171.5	-172.3	0	0	111.5	R735 L736 N741 E742 L743	R735-E739 WeakPolarHBondContact CG-OE1 3.49Å; R735-E739 IonicContact CZ-OE1 3.68Å; R735-E739 IonicContact NE-OE1 2.74Å; R735-E739 PolarHBondContact NE-OE1 2.9Å; R735-E739 IonicContact NH2-OE1 3.03Å; R735-E739 WeakPolarHBondContact O-CG 3.45Å; R735-E739 PolarHBondContact O-N 2.78Å; L736-E739 PolarHBondContact O-N 3.03Å; E739-N741 VanDerWaalsContact C-N 3.34Å; E739-N741 PolarHBondContact O-N 3.36Å; E739-E742 PolarHBondContact O-N 3.19Å; E739-L743 WeakPolarHBondContact O-CG 3.48Å; E739-L743 PolarHBondContact O-N 3.34Å
740	L	71	Confident	71.8	Confident	6 Å²	6	61.3 Å²	61.3	3%	0.031	35%	0.35	C	S	.	.	H	α-helix	trans	-63.3	-34.5	176.5	-75.1	174.7	0	0	0	113.3	V725 A729 L736 H738 E742 L743 L841	V725-L740 HydrophobicContact CG1-CB 3.9Å; A729-L740 HydrophobicContact CB-CD1 3.8Å; L736-L740 HydrophobicContact CD1-CG 4.39Å; L736-L740 HydrophobicContact CG-CD1 4.22Å; L736-L740 HydrophobicContact CG-CG 4.24Å; L736-L740 WeakPolarHBondContact O-CB 3.4Å; L736-L740 WeakPolarHBondContact O-CG 3.31Å; L736-L740 PolarHBondContact O-N 2.84Å; H738-L740 VanDerWaalsContact C-N 3.31Å; H738-L740 PolarHBondContact O-N 2.9Å; L740-E742 VanDerWaalsContact C-N 3.29Å; L740-L743 HydrophobicContact CD2-CD1 3.71Å; L740-L743 PolarHBondContact O-N 3.35Å; L740-L841 HydrophobicContact CD2-CD1 4.26Å; L740-L841 HydrophobicContact CD2-CD2 4.34Å
741	N	72	Confident	72.4	Confident	94 Å²	94	59.7 Å²	59.7	50%	0.503	34%	0.336	S	S	.	.	H	α-helix	trans	-72.8	-22.5	177.6	-77.4	-48.4	0	0	0	112.9	V725 V737 H738 E739	V725-N741 VanDerWaalsContact CG1-OD1 3.25Å; V725-N741 WeakPolarHBondContact CG1-OD1 3.48Å; V737-N741 PolarHBondContact O-N 3.11Å; V737-N741 PolarHBondContact O-ND2 3.35Å; H738-N741 PolarHBondContact O-N 3.01Å; H738-N741 VanDerWaalsContact O-N 3.1Å; E739-N741 VanDerWaalsContact C-N 3.34Å; E739-N741 PolarHBondContact O-N 3.36Å
742	E	71.3	Confident	73.3	Confident	132 Å²	132	56.3 Å²	56.3	62%	0.617	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.5	-4.1	179.1	-67.1	-175.4	139.8	0	0	113.2	H738 E739 L740	H738-E742 IonicContact CE1-OE1 2.72Å; H738-E742 PolarHBondContact CE1-OE1 2.83Å; H738-E742 IonicContact CE1-OE2 3.92Å; H738-E742 PolarHBondContact CE1-OE2 3.44Å; H738-E742 IonicContact ND1-OE1 3.94Å; H738-E742 IonicContact ND1-OE2 2.6Å; H738-E742 PolarHBondContact ND1-OE2 3.47Å; H738-E742 PolarHBondContact O-N 2.89Å; E739-E742 PolarHBondContact O-N 3.19Å; L740-E742 VanDerWaalsContact C-N 3.29Å
743	L	72.8	Confident	74.2	Confident	27 Å²	27	55.3 Å²	55.3	14%	0.141	30%	0.296	C	S	.	.	S	Bend	trans	-67.9	148.9	-177.9	-68.4	-176.4	0	0	0	113.4	E739 L740 A747 L748 P835 L841	E739-L743 WeakPolarHBondContact O-CG 3.48Å; E739-L743 PolarHBondContact O-N 3.34Å; L740-L743 HydrophobicContact CD2-CD1 3.71Å; L740-L743 PolarHBondContact O-N 3.35Å; L743-A747 HydrophobicContact CB-CB 4.43Å; L743-L748 HydrophobicContact CB-CD1 4.36Å; L743-L748 HydrophobicContact CB-CD2 4.23Å; L743-L748 HydrophobicContact CB-CG 3.84Å; L743-L748 HydrophobicContact CD1-CD2 4.1Å; L743-L748 HydrophobicContact CD1-CG 4.46Å; L743-P835 HydrophobicContact CD2-CB 3.27Å; L743-P835 HydrophobicContact CD2-CG 3.77Å; L743-L841 HydrophobicContact CD1-CD2 3.63Å
744	S	71.8	Confident	75.1	Confident	41 Å²	41	52.5 Å²	52.5	29%	0.287	28%	0.277	S	S	.	.			trans	-62.5	152.5	170.4	76	0	0	0	0	111.1	N746 A747 L748	S744-N746 PolarHBondContact O-N 2.92Å; S744-N746 VanDerWaalsContact O-N 3.16Å; S744-A747 PolarHBondContact O-N 3.34Å; S744-A747 PolarHBondContact OG-N 3.26Å; S744-L748 PolarHBondContact O-N 2.96Å; S744-L748 VanDerWaalsContact O-N 3.12Å
745	S	73.4	Confident	75.9	Confident	87 Å²	87	47 Å²	47	61%	0.608	24%	0.242	S	C	*	.	H	α-helix	trans	-56.2	-32.2	175.4	56	0	0	0	0	112.7	K749	S745-K749 WeakPolarHBondContact O-CB 3.5Å; S745-K749 PolarHBondContact O-N 3.19Å
746	N	75	Confident	77	Confident	100 Å²	100	39.3 Å²	39.3	54%	0.535	21%	0.213	S	C	.	.	H	α-helix	trans	-72.6	-43.8	-179.8	-66.8	-15.5	0	0	0	111.8	S744 L748 K749 S750	S744-N746 PolarHBondContact O-N 2.92Å; S744-N746 VanDerWaalsContact O-N 3.16Å; N746-L748 VanDerWaalsContact C-N 3.32Å; N746-L748 PolarHBondContact O-N 3.48Å; N746-K749 PolarHBondContact O-N 3.08Å; N746-S750 PolarHBondContact O-N 3.25Å
747	A	75.8	Confident	78.3	Confident	0 Å²	0	38.6 Å²	38.6	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-62.5	-42.6	176.8	0	0	0	0	0	111.7	L743 S744 S750 F751 P835 S839	L743-A747 HydrophobicContact CB-CB 4.43Å; S744-A747 PolarHBondContact O-N 3.34Å; S744-A747 PolarHBondContact OG-N 3.26Å; A747-S750 PolarHBondContact O-N 3.44Å; A747-F751 PolarHBondContact O-N 3.13Å; A747-F751 VanDerWaalsContact O-N 3.12Å; A747-P835 HydrophobicContact CB-CB 4.22Å; A747-S839 WeakPolarHBondContact CA-O 3.16Å
748	L	78.2	Confident	79.3	Confident	21 Å²	21	36.6 Å²	36.6	11%	0.11	20%	0.197	C	C	.	.	H	α-helix	trans	-62.3	-43.3	174.3	-80.7	179.2	0	0	0	112.5	P723 V725 L743 S744 N746 F751 H752	P723-L748 HydrophobicContact CG-CB 3.56Å; P723-L748 HydrophobicContact CG-CD1 4.49Å; P723-L748 HydrophobicContact CG-CD2 4.31Å; P723-L748 HydrophobicContact CG-CG 4.33Å; V725-L748 HydrophobicContact CG2-CD1 4.06Å; V725-L748 HydrophobicContact CG2-CD2 4.11Å; L743-L748 HydrophobicContact CB-CD1 4.36Å; L743-L748 HydrophobicContact CB-CD2 4.23Å; L743-L748 HydrophobicContact CB-CG 3.84Å; L743-L748 HydrophobicContact CD1-CD2 4.1Å; L743-L748 HydrophobicContact CD1-CG 4.46Å; S744-L748 PolarHBondContact O-N 2.96Å; S744-L748 VanDerWaalsContact O-N 3.12Å; N746-L748 VanDerWaalsContact C-N 3.32Å; N746-L748 PolarHBondContact O-N 3.48Å; L748-F751 PolarHBondContact O-N 3.3Å; L748-H752 PolarHBondContact O-N 3.01Å
749	K	80.1	Confident	80.4	Confident	49 Å²	49	34.2 Å²	34.2	21%	0.213	18%	0.183	C	C	.	.	H	α-helix	trans	-61.1	-49.3	175.5	-175.4	-164.5	178.7	-147.8	0	111.3	D695 S745 N746 F751 H752 V753	D695-K749 PolarHBondContact O-NZ 3.13Å; D695-K749 WeakPolarHBondContact OD1-CE 3.29Å; D695-K749 IonicContact OD1-NZ 3.83Å; D695-K749 PolarHBondContact OD1-NZ 2.95Å; S745-K749 WeakPolarHBondContact O-CB 3.5Å; S745-K749 PolarHBondContact O-N 3.19Å; N746-K749 PolarHBondContact O-N 3.08Å; K749-F751 VanDerWaalsContact C-N 3.26Å; K749-F751 PolarHBondContact O-N 2.83Å; K749-H752 PolarHBondContact O-N 3.39Å; K749-H752 VanDerWaalsContact O-N 3.16Å; K749-V753 HydrophobicContact CG-CG2 4.36Å; K749-V753 VanDerWaalsContact O-CG2 3.28Å; K749-V753 WeakPolarHBondContact O-CG2 2.98Å; K749-V753 PolarHBondContact O-N 2.93Å
750	S	82.5	Confident	81.7	Confident	31 Å²	31	32.4 Å²	32.4	22%	0.217	18%	0.175	C	C	.	.	H	α-helix	trans	-54.8	-46.1	179	172	0	0	0	0	111	N746 A747 H752 V753 T754 S839	N746-S750 PolarHBondContact O-N 3.25Å; A747-S750 PolarHBondContact O-N 3.44Å; S750-H752 PolarHBondContact O-N 3.12Å; S750-V753 WeakPolarHBondContact O-CB 3.49Å; S750-V753 PolarHBondContact O-N 2.86Å; S750-T754 PolarHBondContact O-N 3.34Å; S750-T754 PolarHBondContact O-OG1 3.33Å; S750-S839 WeakPolarHBondContact CB-O 3.34Å
751	F	81.8	Confident	82.8	Confident	7 Å²	7	32.1 Å²	32.1	3%	0.031	17%	0.173	C	C	.	.	H	α-helix	trans	-63.3	-42.2	178.2	-179.9	-141.3	0	0	0	113.6	L728 A747 L748 K749 V753 T754 L755 L841 L846 A849	L728-F751 HydrophobicContact CB-CE1 4.01Å; L728-F751 HydrophobicContact CD1-CD1 3.65Å; L728-F751 HydrophobicContact CD1-CE1 3.69Å; L728-F751 HydrophobicContact CD2-CD1 4.17Å; L728-F751 HydrophobicContact CD2-CE1 3.62Å; L728-F751 HydrophobicContact CD2-CZ 4.16Å; L728-F751 HydrophobicContact CG-CD1 4.4Å; L728-F751 HydrophobicContact CG-CE1 3.97Å; A747-F751 PolarHBondContact O-N 3.13Å; A747-F751 VanDerWaalsContact O-N 3.12Å; L748-F751 PolarHBondContact O-N 3.3Å; K749-F751 VanDerWaalsContact C-N 3.26Å; K749-F751 PolarHBondContact O-N 2.83Å; F751-V753 VanDerWaalsContact C-N 3.34Å; F751-V753 PolarHBondContact O-N 3.45Å; F751-T754 PolarHBondContact O-N 3.16Å; F751-L755 HydrophobicContact CD2-CD1 4.19Å; F751-L755 HydrophobicContact CD2-CG 4.19Å; F751-L755 HydrophobicContact CE1-CD1 4.29Å; F751-L755 HydrophobicContact CE2-CD1 3.72Å; F751-L755 HydrophobicContact CE2-CD2 4.25Å; F751-L755 HydrophobicContact CE2-CG 3.91Å; F751-L755 HydrophobicContact CZ-CD1 3.78Å; F751-L755 HydrophobicContact CZ-CG 4.48Å; F751-L755 PolarHBondContact O-N 3.48Å; F751-L755 VanDerWaalsContact O-N 3.16Å; F751-L841 HydrophobicContact CB-CD1 4.09Å; F751-L841 HydrophobicContact CD1-CD1 3.62Å; F751-L841 HydrophobicContact CD2-CD1 3.7Å; F751-L841 HydrophobicContact CE1-CD1 3.79Å; F751-L841 HydrophobicContact CE2-CD1 3.88Å; F751-L841 HydrophobicContact CG-CD1 3.55Å; F751-L841 HydrophobicContact CG-CG 4.48Å; F751-L841 HydrophobicContact CZ-CD1 3.91Å; F751-L846 HydrophobicContact CD2-CD2 3.29Å; F751-L846 HydrophobicContact CE2-CD2 3.55Å; F751-L846 HydrophobicContact CG-CD2 4.37Å; F751-A849 HydrophobicContact CE2-CB 3.81Å; F751-A849 HydrophobicContact CZ-CB 3.45Å; F751-A849 VanDerWaalsContact CZ-CB 3.45Å
752	H	83.7	Confident	83.9	Confident	1 Å²	1	27.6 Å²	27.6	1%	0.005	15%	0.15	C	C	.	.	H	α-helix	trans	-62.8	-40.3	175.6	-179.8	-86.8	0	0	0	112.7	Y720 P723 L748 K749 S750 S756 N872	Y720-H752 AromaticContact CE1-ND1 3.82Å; P723-H752 HydrophobicContact CB-CB 4.14Å; L748-H752 PolarHBondContact O-N 3.01Å; K749-H752 PolarHBondContact O-N 3.39Å; K749-H752 VanDerWaalsContact O-N 3.16Å; S750-H752 PolarHBondContact O-N 3.12Å; H752-S756 PolarHBondContact CE1-OG 3.46Å; H752-S756 VanDerWaalsContact O-CB 3.27Å; H752-S756 WeakPolarHBondContact O-CB 3.23Å; H752-S756 PolarHBondContact O-N 3.26Å; H752-S756 PolarHBondContact O-OG 3.05Å; H752-N872 PolarHBondContact CE1-O 3.21Å; H752-N872 PolarHBondContact NE2-O 3.32Å
753	V	87.5	Confident	84.9	Confident	6 Å²	6	24.9 Å²	24.9	4%	0.036	13%	0.133	C	C	.	.	H	α-helix	trans	-60.2	-50.4	176.3	169.9	0	0	0	0	110.1	E691 I694 D695 K749 S750 F751 L755 S756 A757	E691-V753 HydrophobicContact CB-CG1 4.06Å; E691-V753 HydrophobicContact CG-CG1 4.21Å; I694-V753 HydrophobicContact CB-CG1 4.25Å; I694-V753 HydrophobicContact CG2-CB 4.41Å; I694-V753 HydrophobicContact CG2-CG1 4.24Å; I694-V753 HydrophobicContact CG2-CG2 4.08Å; D695-V753 HydrophobicContact CB-CG1 4.23Å; D695-V753 HydrophobicContact CB-CG2 4.35Å; K749-V753 HydrophobicContact CG-CG2 4.36Å; K749-V753 VanDerWaalsContact O-CG2 3.28Å; K749-V753 WeakPolarHBondContact O-CG2 2.98Å; K749-V753 PolarHBondContact O-N 2.93Å; S750-V753 WeakPolarHBondContact O-CB 3.49Å; S750-V753 PolarHBondContact O-N 2.86Å; F751-V753 VanDerWaalsContact C-N 3.34Å; F751-V753 PolarHBondContact O-N 3.45Å; V753-L755 PolarHBondContact O-N 3.34Å; V753-S756 PolarHBondContact O-N 3.1Å; V753-A757 VanDerWaalsContact O-CB 3.23Å; V753-A757 WeakPolarHBondContact O-CB 3.44Å; V753-A757 PolarHBondContact O-N 3.14Å
754	T	88.4	Confident	86	Confident	16 Å²	16	23.6 Å²	23.6	10%	0.098	13%	0.127	C	C	.	.	H	α-helix	trans	-58.5	-47.7	-179.9	-64.8	0	0	0	0	112.2	E691 S750 F751 A757 A758	E691-T754 VanDerWaalsContact OE1-CA 3.32Å; E691-T754 WeakPolarHBondContact OE1-CA 3.3Å; E691-T754 WeakPolarHBondContact OE1-CB 3.31Å; E691-T754 WeakPolarHBondContact OE1-CG2 3.47Å; E691-T754 PolarHBondContact OE1-OG1 2.92Å; S750-T754 PolarHBondContact O-N 3.34Å; S750-T754 PolarHBondContact O-OG1 3.33Å; F751-T754 PolarHBondContact O-N 3.16Å; T754-A757 PolarHBondContact O-N 3.45Å; T754-A758 WeakPolarHBondContact O-CB 3.28Å; T754-A758 PolarHBondContact O-N 2.9Å
755	L	88.5	Confident	87.1	Confident	0 Å²	0	21.6 Å²	21.6	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-64.6	-43.2	178.6	-68.8	179.4	0	0	0	112.6	L728 F751 V753 R759 T850 I854 L873	L728-L755 HydrophobicContact CD2-CD1 3.61Å; F751-L755 HydrophobicContact CD2-CD1 4.19Å; F751-L755 HydrophobicContact CD2-CG 4.19Å; F751-L755 HydrophobicContact CE1-CD1 4.29Å; F751-L755 HydrophobicContact CE2-CD1 3.72Å; F751-L755 HydrophobicContact CE2-CD2 4.25Å; F751-L755 HydrophobicContact CE2-CG 3.91Å; F751-L755 HydrophobicContact CZ-CD1 3.78Å; F751-L755 HydrophobicContact CZ-CG 4.48Å; F751-L755 PolarHBondContact O-N 3.48Å; F751-L755 VanDerWaalsContact O-N 3.16Å; V753-L755 PolarHBondContact O-N 3.34Å; L755-R759 WeakPolarHBondContact O-CB 3.29Å; L755-R759 PolarHBondContact O-N 2.63Å; L755-T850 HydrophobicContact CD2-CG2 4.37Å; L755-T850 WeakPolarHBondContact CD2-OG1 3.25Å; L755-I854 HydrophobicContact CD2-CD1 4.24Å; L755-I854 HydrophobicContact CD2-CG1 4.31Å; L755-I854 WeakPolarHBondContact O-CD1 3.38Å; L755-L873 HydrophobicContact CB-CD1 4.15Å; L755-L873 HydrophobicContact CB-CD2 3.62Å; L755-L873 HydrophobicContact CD1-CD1 4.27Å; L755-L873 HydrophobicContact CD1-CD2 4.26Å
756	S	89.7	Confident	88	Confident	0 Å²	0	19.1 Å²	19.1	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-66.8	-40	179.2	-64.5	0	0	0	0	111.7	H752 V753 T760 L873 L874	H752-S756 PolarHBondContact CE1-OG 3.46Å; H752-S756 VanDerWaalsContact O-CB 3.27Å; H752-S756 WeakPolarHBondContact O-CB 3.23Å; H752-S756 PolarHBondContact O-N 3.26Å; H752-S756 PolarHBondContact O-OG 3.05Å; V753-S756 PolarHBondContact O-N 3.1Å; S756-T760 VanDerWaalsContact O-CB 3.23Å; S756-T760 WeakPolarHBondContact O-CB 3.43Å; S756-T760 PolarHBondContact O-N 3.31Å; S756-T760 PolarHBondContact O-OG1 3.44Å; S756-L873 WeakPolarHBondContact OG-CD2 3.43Å; S756-L874 PolarHBondContact OG-N 2.69Å
757	A	93.1	Very high	88.8	Confident	0 Å²	0	18 Å²	18	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-63.1	-47.9	177	0	0	0	0	0	111.3	L690 E691 I694 V753 T754 T760 A761	L690-A757 HydrophobicContact CB-CB 3.75Å; L690-A757 WeakPolarHBondContact CD1-O 3.38Å; E691-A757 HydrophobicContact CB-CB 4.29Å; E691-A757 HydrophobicContact CG-CB 3.4Å; E691-A757 VanDerWaalsContact CG-CB 3.4Å; I694-A757 HydrophobicContact CD1-CB 4.09Å; V753-A757 VanDerWaalsContact O-CB 3.23Å; V753-A757 WeakPolarHBondContact O-CB 3.44Å; V753-A757 PolarHBondContact O-N 3.14Å; T754-A757 PolarHBondContact O-N 3.45Å; A757-T760 PolarHBondContact O-N 3.23Å; A757-A761 VanDerWaalsContact O-CB 3.31Å; A757-A761 WeakPolarHBondContact O-CB 3.42Å; A757-A761 PolarHBondContact O-N 3.27Å
758	A	92.4	Very high	89.6	Confident	2 Å²	2	18 Å²	18	2%	0.017	9%	0.09	C	C	.	.	H	α-helix	trans	-63.4	-43.6	178.9	0	0	0	0	0	113.1	T754 T760 A761 A762 Y816 I854	T754-A758 WeakPolarHBondContact O-CB 3.28Å; T754-A758 PolarHBondContact O-N 2.9Å; A758-T760 VanDerWaalsContact C-N 3.35Å; A758-T760 PolarHBondContact O-N 3.18Å; A758-A761 PolarHBondContact O-N 3.25Å; A758-A762 WeakPolarHBondContact O-CB 3.49Å; A758-A762 PolarHBondContact O-N 3.13Å; A758-Y816 HydrophobicContact CB-CD2 4.28Å; A758-Y816 HydrophobicContact CB-CE1 3.97Å; A758-Y816 HydrophobicContact CB-CE2 3.46Å; A758-Y816 VanDerWaalsContact CB-CE2 3.46Å; A758-Y816 WeakPolarHBondContact CB-OH 3.48Å; A758-I854 HydrophobicContact CB-CD1 3.42Å; A758-I854 VanDerWaalsContact CB-CD1 3.42Å
759	R	91.9	Very high	90.3	Very high	60 Å²	60	17.6 Å²	17.6	23%	0.226	9%	0.088	C	C	.	.	H	α-helix	trans	-62.8	-42.6	176.1	-178.2	174	-179.6	-163.2	6.2	111.8	L755 R763 I854 L873 L874	L755-R759 WeakPolarHBondContact O-CB 3.29Å; L755-R759 PolarHBondContact O-N 2.63Å; R759-R763 PolarHBondContact O-N 3.41Å; R759-I854 HydrophobicContact CB-CD1 4.46Å; R759-I854 HydrophobicContact CB-CG2 4.25Å; R759-L873 PolarHBondContact NH1-O 2.94Å; R759-L874 VanDerWaalsContact CD-O 3.25Å; R759-L874 WeakPolarHBondContact CD-O 3.08Å; R759-L874 WeakPolarHBondContact CG-O 3.22Å
760	T	93.9	Very high	90.8	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-66.9	-41.1	177.3	-58.6	0	0	0	0	110.7	Q553 L554 L690 S756 A757 A758 R763 A764	Q553-T760 HydrophobicContact CB-CG2 4.31Å; Q553-T760 HydrophobicContact CG-CG2 3.8Å; Q553-T760 WeakPolarHBondContact CG-O 3.36Å; L554-T760 HydrophobicContact CB-CG2 4.27Å; L554-T760 HydrophobicContact CD1-CG2 4.31Å; L690-T760 HydrophobicContact CD1-CG2 3.78Å; L690-T760 HydrophobicContact CD2-CG2 3.78Å; L690-T760 HydrophobicContact CG-CG2 4.45Å; S756-T760 VanDerWaalsContact O-CB 3.23Å; S756-T760 WeakPolarHBondContact O-CB 3.43Å; S756-T760 PolarHBondContact O-N 3.31Å; S756-T760 PolarHBondContact O-OG1 3.44Å; A757-T760 PolarHBondContact O-N 3.23Å; A758-T760 VanDerWaalsContact C-N 3.35Å; A758-T760 PolarHBondContact O-N 3.18Å; T760-R763 PolarHBondContact O-N 2.86Å; T760-A764 WeakPolarHBondContact O-CB 3.43Å; T760-A764 PolarHBondContact O-N 3.3Å
761	A	96	Very high	91.1	Very high	0 Å²	0	19 Å²	19	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-62.2	-44.5	177.8	0	0	0	0	0	112.2	L550 T687 L690 A757 A758 R763 A764 L765 F812	L550-A761 HydrophobicContact CD2-CB 4.49Å; T687-A761 HydrophobicContact CG2-CB 3.58Å; L690-A761 HydrophobicContact CD1-CB 3.74Å; L690-A761 VanDerWaalsContact CD1-N 3.3Å; A757-A761 VanDerWaalsContact O-CB 3.31Å; A757-A761 WeakPolarHBondContact O-CB 3.42Å; A757-A761 PolarHBondContact O-N 3.27Å; A758-A761 PolarHBondContact O-N 3.25Å; A761-R763 VanDerWaalsContact C-N 3.33Å; A761-R763 PolarHBondContact O-N 3.49Å; A761-A764 WeakPolarHBondContact O-CB 3.35Å; A761-A764 PolarHBondContact O-N 2.56Å; A761-L765 PolarHBondContact O-N 2.85Å; A761-F812 HydrophobicContact CB-CE2 4.11Å; A761-F812 HydrophobicContact CB-CZ 4.05Å
762	A	93.3	Very high	91.5	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-59.8	-42.8	177.9	0	0	0	0	0	112.5	A758 S766 F812 F856	A758-A762 WeakPolarHBondContact O-CB 3.49Å; A758-A762 PolarHBondContact O-N 3.13Å; A762-S766 PolarHBondContact O-N 3.19Å; A762-S766 PolarHBondContact O-OG 3.17Å; A762-F812 HydrophobicContact CB-CD1 4.37Å; A762-F812 HydrophobicContact CB-CE1 3.66Å; A762-F812 HydrophobicContact CB-CZ 3.79Å; A762-F856 HydrophobicContact CB-CB 4.37Å; A762-F856 HydrophobicContact CB-CD1 3.47Å; A762-F856 VanDerWaalsContact CB-CD1 3.47Å; A762-F856 HydrophobicContact CB-CD2 4.26Å; A762-F856 HydrophobicContact CB-CE1 3.68Å; A762-F856 HydrophobicContact CB-CE2 4.42Å; A762-F856 HydrophobicContact CB-CG 3.77Å; A762-F856 HydrophobicContact CB-CZ 4.15Å
763	R	93.3	Very high	91.6	Very high	74 Å²	74	24 Å²	24	28%	0.279	12%	0.124	S	C	.	.	H	α-helix	trans	-67	-41.4	174.5	-71.5	175.2	167	174.8	-8.4	111.6	Q553 R759 T760 A761 L765 S766 N767 L874	Q553-R763 HydrophobicContact CG-CB 3.9Å; R759-R763 PolarHBondContact O-N 3.41Å; T760-R763 PolarHBondContact O-N 2.86Å; A761-R763 VanDerWaalsContact C-N 3.33Å; A761-R763 PolarHBondContact O-N 3.49Å; R763-L765 VanDerWaalsContact C-N 3.32Å; R763-L765 PolarHBondContact O-N 3.4Å; R763-S766 WeakPolarHBondContact O-CB 3.32Å; R763-S766 PolarHBondContact O-N 3.32Å; R763-N767 PolarHBondContact O-N 2.97Å; R763-L874 PolarHBondContact NH1-OXT 3.41Å
764	A	95.5	Very high	91.6	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-63.4	-39.4	178.9	0	0	0	0	0	111.5	S549 L550 Q553 F682 T760 A761 N767 F768	S549-A764 PolarHBondContact OG-O 2.88Å; L550-A764 HydrophobicContact CD2-CB 3.72Å; L550-A764 HydrophobicContact CG-CB 4.46Å; Q553-A764 HydrophobicContact CB-CB 3.67Å; Q553-A764 HydrophobicContact CG-CB 3.86Å; F682-A764 HydrophobicContact CD1-CB 4.27Å; F682-A764 HydrophobicContact CE1-CB 3.84Å; T760-A764 WeakPolarHBondContact O-CB 3.43Å; T760-A764 PolarHBondContact O-N 3.3Å; A761-A764 WeakPolarHBondContact O-CB 3.35Å; A761-A764 PolarHBondContact O-N 2.56Å; A764-N767 PolarHBondContact O-N 2.62Å; A764-F768 WeakPolarHBondContact O-CB 3.36Å; A764-F768 PolarHBondContact O-N 3.21Å
765	L	95	Very high	91.5	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-57.7	-50.8	172.7	172.5	65.4	0	0	0	110.6	V678 A679 F682 A761 R763 N767 F768 V769 F812	V678-L765 HydrophobicContact CG1-CD1 3.84Å; A679-L765 HydrophobicContact CB-CD1 4.4Å; A679-L765 HydrophobicContact CB-CD2 3.97Å; F682-L765 HydrophobicContact CB-CB 4.08Å; F682-L765 HydrophobicContact CB-CD1 4.12Å; F682-L765 HydrophobicContact CD1-CB 3.94Å; F682-L765 HydrophobicContact CD2-CD1 3.89Å; F682-L765 HydrophobicContact CE2-CD1 4.49Å; F682-L765 HydrophobicContact CG-CB 3.97Å; F682-L765 HydrophobicContact CG-CD1 3.98Å; A761-L765 PolarHBondContact O-N 2.85Å; R763-L765 VanDerWaalsContact C-N 3.32Å; R763-L765 PolarHBondContact O-N 3.4Å; L765-N767 VanDerWaalsContact C-N 3.31Å; L765-N767 PolarHBondContact O-N 3.46Å; L765-F768 WeakPolarHBondContact O-CB 3.42Å; L765-F768 PolarHBondContact O-N 3.4Å; L765-V769 HydrophobicContact CD1-CG2 3.71Å; L765-V769 HydrophobicContact CG-CG2 4.23Å; L765-V769 WeakPolarHBondContact O-CB 3.34Å; L765-V769 WeakPolarHBondContact O-CG2 3.48Å; L765-V769 PolarHBondContact O-N 3.06Å; L765-F812 HydrophobicContact CD2-CB 3.56Å; L765-F812 HydrophobicContact CD2-CD2 3.65Å; L765-F812 HydrophobicContact CD2-CG 3.81Å
766	S	92.3	Very high	91.4	Very high	34 Å²	34	31.7 Å²	31.7	24%	0.238	19%	0.192	C	C	.	.	H	α-helix	trans	-57.8	-45	-179.4	-60.8	0	0	0	0	111.5	A762 R763 N770	A762-S766 PolarHBondContact O-N 3.19Å; A762-S766 PolarHBondContact O-OG 3.17Å; R763-S766 WeakPolarHBondContact O-CB 3.32Å; R763-S766 PolarHBondContact O-N 3.32Å; S766-N770 WeakPolarHBondContact O-CB 3.46Å; S766-N770 PolarHBondContact O-N 2.98Å; S766-N770 PolarHBondContact O-ND2 3.06Å; S766-N770 VanDerWaalsContact O-ND2 3.15Å
767	N	92.1	Very high	91.1	Very high	77 Å²	77	35.4 Å²	35.4	41%	0.412	22%	0.223	S	C	.	.	H	α-helix	trans	-67.7	-38.9	177.8	-76.5	-12.7	0	0	0	113	Q553 R763 A764 L765 A771	Q553-N767 PolarHBondContact OE1-ND2 3.24Å; R763-N767 PolarHBondContact O-N 2.97Å; A764-N767 PolarHBondContact O-N 2.62Å; L765-N767 VanDerWaalsContact C-N 3.31Å; L765-N767 PolarHBondContact O-N 3.46Å; N767-A771 WeakPolarHBondContact O-CB 3.1Å; N767-A771 PolarHBondContact O-N 2.84Å
768	F	93.3	Very high	90.8	Very high	0 Å²	0	36 Å²	36	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-63.6	-46.2	177	-174.4	-100.1	0	0	0	111.8	L542 L545 V678 F682 A764 L765 A771 I772 I778 L794	L542-F768 HydrophobicContact CD1-CZ 4.11Å; L545-F768 HydrophobicContact CB-CE2 4.03Å; L545-F768 HydrophobicContact CB-CZ 4.4Å; V678-F768 HydrophobicContact CG1-CD1 3.54Å; V678-F768 HydrophobicContact CG1-CE1 3.49Å; V678-F768 VanDerWaalsContact CG1-CE1 3.49Å; V678-F768 HydrophobicContact CG2-CE1 4.3Å; F682-F768 HydrophobicContact CE1-CB 4.4Å; F682-F768 HydrophobicContact CE2-CB 4.14Å; F682-F768 AromaticContact CE2-CD1 3.6Å; F682-F768 HydrophobicContact CE2-CD1 3.6Å; F682-F768 HydrophobicContact CE2-CD2 4.23Å; F682-F768 AromaticContact CE2-CE1 3.94Å; F682-F768 HydrophobicContact CE2-CE1 3.94Å; F682-F768 AromaticContact CE2-CG 3.75Å; F682-F768 HydrophobicContact CE2-CG 3.75Å; F682-F768 HydrophobicContact CE2-CZ 4.39Å; F682-F768 HydrophobicContact CZ-CB 3.67Å; F682-F768 AromaticContact CZ-CD1 3.94Å; F682-F768 HydrophobicContact CZ-CD1 3.94Å; F682-F768 AromaticContact CZ-CD2 3.85Å; F682-F768 HydrophobicContact CZ-CD2 3.85Å; F682-F768 HydrophobicContact CZ-CE2 4.42Å; F682-F768 AromaticContact CZ-CG 3.56Å; F682-F768 HydrophobicContact CZ-CG 3.56Å; A764-F768 WeakPolarHBondContact O-CB 3.36Å; A764-F768 PolarHBondContact O-N 3.21Å; L765-F768 WeakPolarHBondContact O-CB 3.42Å; L765-F768 PolarHBondContact O-N 3.4Å; F768-A771 WeakPolarHBondContact O-CB 3.35Å; F768-A771 PolarHBondContact O-N 3.19Å; F768-I772 HydrophobicContact CD1-CD1 3.52Å; F768-I772 HydrophobicContact CD1-CG1 4.45Å; F768-I772 HydrophobicContact CE1-CD1 3.26Å; F768-I772 HydrophobicContact CE1-CG1 4.31Å; F768-I772 HydrophobicContact CG-CD1 4.42Å; F768-I772 HydrophobicContact CZ-CD1 3.98Å; F768-I772 WeakPolarHBondContact O-CG1 3.34Å; F768-I772 PolarHBondContact O-N 3.32Å; F768-I778 HydrophobicContact CD2-CD1 3.5Å; F768-I778 HydrophobicContact CD2-CG1 4.47Å; F768-I778 HydrophobicContact CE2-CD1 3.34Å; F768-I778 HydrophobicContact CZ-CD1 4.48Å; F768-L794 HydrophobicContact CZ-CD1 4.26Å
769	V	91	Very high	90.4	Very high	13 Å²	13	42.3 Å²	42.3	8%	0.079	26%	0.255	C	S	.	.	H	α-helix	trans	-62.2	-46.5	177.8	168.5	0	0	0	0	110.9	L765 A771 I772 D773 E808	L765-V769 HydrophobicContact CD1-CG2 3.71Å; L765-V769 HydrophobicContact CG-CG2 4.23Å; L765-V769 WeakPolarHBondContact O-CB 3.34Å; L765-V769 WeakPolarHBondContact O-CG2 3.48Å; L765-V769 PolarHBondContact O-N 3.06Å; V769-A771 VanDerWaalsContact C-N 3.27Å; V769-A771 PolarHBondContact O-N 3.38Å; V769-I772 PolarHBondContact O-N 3.1Å; V769-D773 PolarHBondContact O-N 3.32Å; V769-E808 WeakPolarHBondContact CG1-OE2 3Å; V769-E808 WeakPolarHBondContact CG2-OE2 3.16Å
770	N	90.7	Very high	89.7	Confident	95 Å²	95	41.9 Å²	41.9	51%	0.508	27%	0.269	S	S	.	.	H	α-helix	trans	-60.6	-38	174.4	-70.1	-22.5	0	0	0	111.9	S766 D773 A774	S766-N770 WeakPolarHBondContact O-CB 3.46Å; S766-N770 PolarHBondContact O-N 2.98Å; S766-N770 PolarHBondContact O-ND2 3.06Å; S766-N770 VanDerWaalsContact O-ND2 3.15Å; N770-D773 PolarHBondContact O-N 2.89Å; N770-A774 VanDerWaalsContact O-CB 3.32Å; N770-A774 WeakPolarHBondContact O-CB 3.48Å; N770-A774 PolarHBondContact O-N 2.98Å
771	A	90	Very high	89	Confident	13 Å²	13	42.5 Å²	42.5	11%	0.107	27%	0.273	C	S	.	.	H	α-helix	trans	-66.9	-39.6	178.7	0	0	0	0	0	112.1	N767 F768 V769 G775 S776 I778	N767-A771 WeakPolarHBondContact O-CB 3.1Å; N767-A771 PolarHBondContact O-N 2.84Å; F768-A771 WeakPolarHBondContact O-CB 3.35Å; F768-A771 PolarHBondContact O-N 3.19Å; V769-A771 VanDerWaalsContact C-N 3.27Å; V769-A771 PolarHBondContact O-N 3.38Å; A771-G775 PolarHBondContact O-N 3.5Å; A771-G775 VanDerWaalsContact O-N 3.13Å; A771-S776 VanDerWaalsContact CA-OG 3.24Å; A771-S776 WeakPolarHBondContact CA-OG 3.49Å; A771-S776 WeakPolarHBondContact CB-OG 3.3Å; A771-S776 PolarHBondContact O-N 3.32Å; A771-S776 PolarHBondContact O-OG 3.06Å; A771-I778 HydrophobicContact CB-CG1 4.46Å
772	I	89.4	Confident	87.8	Confident	14 Å²	14	46.6 Å²	46.6	7%	0.072	32%	0.316	C	S	.	.	H	α-helix	trans	-62.5	-48.7	174.1	-69	163.9	0	0	0	110.6	F768 V769 A774 G775 Y789 L794	F768-I772 HydrophobicContact CD1-CD1 3.52Å; F768-I772 HydrophobicContact CD1-CG1 4.45Å; F768-I772 HydrophobicContact CE1-CD1 3.26Å; F768-I772 HydrophobicContact CE1-CG1 4.31Å; F768-I772 HydrophobicContact CG-CD1 4.42Å; F768-I772 HydrophobicContact CZ-CD1 3.98Å; F768-I772 WeakPolarHBondContact O-CG1 3.34Å; F768-I772 PolarHBondContact O-N 3.32Å; V769-I772 PolarHBondContact O-N 3.1Å; I772-A774 VanDerWaalsContact C-N 3.3Å; I772-A774 PolarHBondContact O-N 3.35Å; I772-G775 PolarHBondContact O-N 2.87Å; I772-Y789 HydrophobicContact CG1-CD2 4.4Å; I772-Y789 HydrophobicContact CG1-CE1 4.3Å; I772-Y789 HydrophobicContact CG1-CE2 4.14Å; I772-L794 HydrophobicContact CD1-CB 4.1Å; I772-L794 HydrophobicContact CD1-CD1 4.23Å; I772-L794 HydrophobicContact CG2-CB 4.41Å
773	D	86.7	Confident	86.7	Confident	100 Å²	100	48.6 Å²	48.6	54%	0.535	33%	0.326	S	S	.	.	H	α-helix	trans	-61.6	-39.8	-179.6	-74.6	-11.9	0	0	0	112.5	V769 N770 G775 R797	V769-D773 PolarHBondContact O-N 3.32Å; N770-D773 PolarHBondContact O-N 2.89Å; D773-G775 PolarHBondContact O-N 3.32Å; D773-R797 IonicContact OD1-CZ 3.8Å; D773-R797 IonicContact OD1-NE 3.07Å; D773-R797 PolarHBondContact OD1-NE 3.49Å; D773-R797 IonicContact OD1-NH2 2.64Å; D773-R797 PolarHBondContact OD1-NH2 3.45Å; D773-R797 IonicContact OD2-CZ 2.76Å; D773-R797 IonicContact OD2-NH2 3.78Å; D773-R797 PolarHBondContact OD2-NH2 3.4Å
774	A	88.1	Confident	85.8	Confident	78 Å²	78	49.6 Å²	49.6	65%	0.645	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.2	-8.2	177.2	0	0	0	0	0	113.1	N770 I772 S776	N770-A774 VanDerWaalsContact O-CB 3.32Å; N770-A774 WeakPolarHBondContact O-CB 3.48Å; N770-A774 PolarHBondContact O-N 2.98Å; I772-A774 VanDerWaalsContact C-N 3.3Å; I772-A774 PolarHBondContact O-N 3.35Å; A774-S776 PolarHBondContact O-N 3.01Å
775	G	84.8	Confident	84.8	Confident	54 Å²	54	50.2 Å²	50.2	56%	0.557	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.7	26.3	-169.8	0	0	0	0	0	112.8	A771 I772 D773	A771-G775 PolarHBondContact O-N 3.5Å; A771-G775 VanDerWaalsContact O-N 3.13Å; I772-G775 PolarHBondContact O-N 2.87Å; D773-G775 PolarHBondContact O-N 3.32Å
776	S	86.3	Confident	83.8	Confident	51 Å²	51	53.2 Å²	53.2	36%	0.357	37%	0.365	S	S	.	.			trans	-92.1	156.2	-171.2	71.1	0	0	0	0	112.5	A771 A774 Q785 Y789	A771-S776 VanDerWaalsContact CA-OG 3.24Å; A771-S776 WeakPolarHBondContact CA-OG 3.49Å; A771-S776 WeakPolarHBondContact CB-OG 3.3Å; A771-S776 PolarHBondContact O-N 3.32Å; A771-S776 PolarHBondContact O-OG 3.06Å; A774-S776 PolarHBondContact O-N 3.01Å; S776-Q785 PolarHBondContact O-OE1 3.09Å; S776-Y789 PolarHBondContact O-OH 3.44Å
777	A	84.9	Confident	83.3	Confident	79 Å²	79	56.4 Å²	56.4	65%	0.653	38%	0.379	S	S	*	.			trans	-78.1	120.8	-177.9	0	0	0	0	0	113.1	Q779 Q785	A777-Q779 PolarHBondContact O-N 3.43Å; A777-Q785 VanDerWaalsContact CA-CD 3.46Å
778	I	86	Confident	82.8	Confident	12 Å²	12	53.8 Å²	53.8	6%	0.062	37%	0.366	C	S	.	.			trans	-59.5	115.3	159.4	-59.7	167.6	0	0	0	109.1	L545 F548 F768 A771 G780 S781 Q785 Y789	L545-I778 HydrophobicContact CB-CD1 4.22Å; L545-I778 HydrophobicContact CD2-CD1 4.22Å; F548-I778 HydrophobicContact CB-CG2 3.78Å; F768-I778 HydrophobicContact CD2-CD1 3.5Å; F768-I778 HydrophobicContact CD2-CG1 4.47Å; F768-I778 HydrophobicContact CE2-CD1 3.34Å; F768-I778 HydrophobicContact CZ-CD1 4.48Å; A771-I778 HydrophobicContact CB-CG1 4.46Å; I778-G780 PolarHBondContact O-N 3.33Å; I778-S781 PolarHBondContact O-N 3.25Å; I778-S781 PolarHBondContact O-OG 3.39Å; I778-Q785 PolarHBondContact O-NE2 2.98Å; I778-Y789 HydrophobicContact CD1-CE1 4.44Å; I778-Y789 WeakPolarHBondContact CD1-OH 3.43Å; I778-Y789 WeakPolarHBondContact CG1-OH 3.36Å
779	Q	83	Confident	82.6	Confident	135 Å²	135	53.9 Å²	53.9	63%	0.631	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.4	129.9	-173.9	-172.6	-177	8.2	0	0	112.3	R551 N552 A777 S781	R551-Q779 PolarHBondContact NH2-O 3.21Å; R551-Q779 VanDerWaalsContact NH2-O 3.1Å; N552-Q779 PolarHBondContact ND2-O 3.21Å; A777-Q779 PolarHBondContact O-N 3.43Å; Q779-S781 VanDerWaalsContact C-N 3.34Å; Q779-S781 PolarHBondContact O-N 2.99Å
780	G	78.3	Confident	82.4	Confident	51 Å²	51	59 Å²	59	53%	0.526	39%	0.39	S	S	.	.	T	Hydrogen-bonded Turn	trans	80.2	5.9	173.2	0	0	0	0	0	115.6	F548 I778	F548-G780 WeakPolarHBondContact CE1-O 3.29Å; I778-G780 PolarHBondContact O-N 3.33Å
781	S	78.9	Confident	82.1	Confident	12 Å²	12	57.2 Å²	57.2	8%	0.084	39%	0.388	C	S	.	.			trans	-74.7	-26.9	175.7	72.8	0	0	0	0	113.7	F548 I778 Q779 I783 Q785	F548-S781 VanDerWaalsContact CD2-CA 3.43Å; F548-S781 VanDerWaalsContact CD2-CB 3.45Å; I778-S781 PolarHBondContact O-N 3.25Å; I778-S781 PolarHBondContact O-OG 3.39Å; Q779-S781 VanDerWaalsContact C-N 3.34Å; Q779-S781 PolarHBondContact O-N 2.99Å; S781-I783 WeakPolarHBondContact O-CG1 3.47Å; S781-I783 PolarHBondContact O-N 3.38Å; S781-Q785 PolarHBondContact OG-NE2 3.2Å
782	G	70.7	Confident	81.9	Confident	87 Å²	87	57.1 Å²	57.1	90%	0.897	39%	0.386	S	S	*	.			trans	63.8	6	-179.8	0	0	0	0	0	115
783	I	70.7	Confident	81.8	Confident	41 Å²	41	57.8 Å²	57.8	21%	0.21	40%	0.396	C	S	.	.	S	Bend	trans	-97.1	144.3	-178.2	-65	161.7	0	0	0	109.1	K544 L545 S781 Q785 T788	K544-I783 HydrophobicContact CB-CD1 4.21Å; K544-I783 HydrophobicContact CD-CD1 4.28Å; L545-I783 HydrophobicContact CD2-CD1 4.29Å; S781-I783 WeakPolarHBondContact O-CG1 3.47Å; S781-I783 PolarHBondContact O-N 3.38Å; I783-Q785 WeakPolarHBondContact O-CG 3.46Å; I783-Q785 PolarHBondContact O-N 2.99Å; I783-T788 HydrophobicContact CG2-CG2 4.09Å; I783-T788 WeakPolarHBondContact CG2-OG1 3.39Å
784	D	73.1	Confident	81.8	Confident	95 Å²	95	53.9 Å²	53.9	51%	0.508	38%	0.375	S	S	.	.			trans	-70.4	93.4	172.5	179.2	8.9	0	0	0	110.8	A786 N787 T788	D784-A786 PolarHBondContact O-N 3.38Å; D784-N787 PolarHBondContact O-N 2.7Å; D784-N787 PolarHBondContact OD2-ND2 3.26Å; D784-T788 WeakPolarHBondContact O-CB 3.27Å; D784-T788 PolarHBondContact O-N 3.1Å; D784-T788 PolarHBondContact O-OG1 3.05Å
785	Q	74.8	Confident	81.5	Confident	13 Å²	13	53.7 Å²	53.7	6%	0.061	37%	0.366	C	S	.	.	H	α-helix	trans	-72	-30.9	-164	-52.6	-165.8	7.7	0	0	113.6	S776 A777 I778 S781 I783 T788 Y789	S776-Q785 PolarHBondContact O-OE1 3.09Å; A777-Q785 VanDerWaalsContact CA-CD 3.46Å; I778-Q785 PolarHBondContact O-NE2 2.98Å; S781-Q785 PolarHBondContact OG-NE2 3.2Å; I783-Q785 WeakPolarHBondContact O-CG 3.46Å; I783-Q785 PolarHBondContact O-N 2.99Å; Q785-T788 PolarHBondContact O-N 3.04Å; Q785-Y789 HydrophobicContact CB-CD2 4.44Å; Q785-Y789 HydrophobicContact CB-CE1 4.12Å; Q785-Y789 HydrophobicContact CB-CE2 4.01Å; Q785-Y789 WeakPolarHBondContact O-CB 3.21Å; Q785-Y789 WeakPolarHBondContact O-CD1 3.5Å; Q785-Y789 WeakPolarHBondContact O-CD2 3.41Å; Q785-Y789 PolarHBondContact O-N 2.98Å; Q785-Y789 PolarHBondContact OE1-OH 2.92Å
786	A	75.6	Confident	81.2	Confident	64 Å²	64	59.1 Å²	59.1	53%	0.529	37%	0.37	S	S	.	.	H	α-helix	trans	-63.4	-49.2	179.1	0	0	0	0	0	110.6	D784 E790	D784-A786 PolarHBondContact O-N 3.38Å; A786-E790 PolarHBondContact O-N 2.88Å; A786-E790 VanDerWaalsContact O-N 3.16Å
787	N	79.9	Confident	80.5	Confident	100 Å²	100	59.5 Å²	59.5	54%	0.535	36%	0.363	S	S	.	.	H	α-helix	trans	-67.8	-40.2	177	-74.8	-27.6	0	0	0	111.6	D784 E790 A791	D784-N787 PolarHBondContact O-N 2.7Å; D784-N787 PolarHBondContact OD2-ND2 3.26Å; N787-E790 PolarHBondContact O-N 3.24Å; N787-A791 VanDerWaalsContact O-CB 3.23Å; N787-A791 WeakPolarHBondContact O-CB 3.48Å; N787-A791 PolarHBondContact O-N 3.19Å
788	T	83.6	Confident	80.2	Confident	22 Å²	22	59.3 Å²	59.3	14%	0.135	35%	0.351	C	S	.	.	H	α-helix	trans	-67.2	-40.2	178.4	-62.1	0	0	0	0	112.3	L545 I783 D784 Q785 A791 L792	L545-T788 HydrophobicContact CD1-CG2 3.75Å; I783-T788 HydrophobicContact CG2-CG2 4.09Å; I783-T788 WeakPolarHBondContact CG2-OG1 3.39Å; D784-T788 WeakPolarHBondContact O-CB 3.27Å; D784-T788 PolarHBondContact O-N 3.1Å; D784-T788 PolarHBondContact O-OG1 3.05Å; Q785-T788 PolarHBondContact O-N 3.04Å; T788-A791 PolarHBondContact O-N 3.46Å; T788-L792 HydrophobicContact CG2-CD1 3.68Å; T788-L792 HydrophobicContact CG2-CG 4.21Å; T788-L792 VanDerWaalsContact O-CB 3.3Å; T788-L792 WeakPolarHBondContact O-CB 3.13Å; T788-L792 VanDerWaalsContact O-CG 3.29Å; T788-L792 WeakPolarHBondContact O-CG 3.3Å; T788-L792 PolarHBondContact O-N 3.17Å
789	Y	88.6	Confident	79.9	Confident	3 Å²	3	61.8 Å²	61.8	1%	0.012	36%	0.36	C	S	.	.	H	α-helix	trans	-64.3	-40.8	176.5	-67.1	-13.3	0	0	0	111.7	L545 I772 S776 I778 Q785 G793 L794	L545-Y789 HydrophobicContact CD1-CD1 4.13Å; L545-Y789 HydrophobicContact CD1-CE1 3.91Å; I772-Y789 HydrophobicContact CG1-CD2 4.4Å; I772-Y789 HydrophobicContact CG1-CE1 4.3Å; I772-Y789 HydrophobicContact CG1-CE2 4.14Å; S776-Y789 PolarHBondContact O-OH 3.44Å; I778-Y789 HydrophobicContact CD1-CE1 4.44Å; I778-Y789 WeakPolarHBondContact CD1-OH 3.43Å; I778-Y789 WeakPolarHBondContact CG1-OH 3.36Å; Q785-Y789 HydrophobicContact CB-CD2 4.44Å; Q785-Y789 HydrophobicContact CB-CE1 4.12Å; Q785-Y789 HydrophobicContact CB-CE2 4.01Å; Q785-Y789 WeakPolarHBondContact O-CB 3.21Å; Q785-Y789 WeakPolarHBondContact O-CD1 3.5Å; Q785-Y789 WeakPolarHBondContact O-CD2 3.41Å; Q785-Y789 PolarHBondContact O-N 2.98Å; Q785-Y789 PolarHBondContact OE1-OH 2.92Å; Y789-G793 CarbonylContact O-C 3.23Å; Y789-G793 PolarHBondContact O-N 3Å; Y789-G793 VanDerWaalsContact O-N 3.07Å; Y789-L794 HydrophobicContact CD1-CD1 3.86Å; Y789-L794 HydrophobicContact CE1-CD1 4.41Å; Y789-L794 PolarHBondContact O-N 3.24Å
790	E	85.7	Confident	80	Confident	120 Å²	120	55.7 Å²	55.7	56%	0.561	33%	0.331	S	S	*	.	H	α-helix	trans	-67.2	-44.3	174.7	-174.1	170.5	-166.7	0	0	111.6	A786 N787 L792 G793	A786-E790 PolarHBondContact O-N 2.88Å; A786-E790 VanDerWaalsContact O-N 3.16Å; N787-E790 PolarHBondContact O-N 3.24Å; E790-L792 VanDerWaalsContact C-N 3.34Å; E790-L792 PolarHBondContact O-N 3.43Å; E790-G793 PolarHBondContact O-N 3.26Å
791	A	85	Confident	80.4	Confident	58 Å²	58	54.3 Å²	54.3	48%	0.479	31%	0.313	S	S	.	.	H	α-helix	trans	-63.8	-36.7	179.3	0	0	0	0	0	113	L533 N787 T788 G793	L533-A791 HydrophobicContact CD1-CB 4.05Å; N787-A791 VanDerWaalsContact O-CB 3.23Å; N787-A791 WeakPolarHBondContact O-CB 3.48Å; N787-A791 PolarHBondContact O-N 3.19Å; T788-A791 PolarHBondContact O-N 3.46Å; A791-G793 VanDerWaalsContact C-N 3.28Å
792	L	86.8	Confident	80.7	Confident	10 Å²	10	56.1 Å²	56.1	5%	0.052	33%	0.333	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.4	-6.6	174	-68	174	0	0	0	113	L533 G538 E541 L542 L545 Y674 T788 E790 L794	L533-L792 HydrophobicContact CD1-CD2 3.83Å; L533-L792 HydrophobicContact CD1-CG 4.42Å; G538-L792 WeakPolarHBondContact O-CD2 3.18Å; E541-L792 HydrophobicContact CB-CD1 4.42Å; E541-L792 HydrophobicContact CB-CD2 4.31Å; L542-L792 HydrophobicContact CB-CD1 4.09Å; L542-L792 HydrophobicContact CB-CD2 4.41Å; L542-L792 HydrophobicContact CD1-CD1 4.44Å; L545-L792 HydrophobicContact CD1-CD1 3.83Å; Y674-L792 HydrophobicContact CD2-CD2 3.77Å; Y674-L792 HydrophobicContact CE2-CD2 4.38Å; Y674-L792 HydrophobicContact CG-CD2 4.29Å; T788-L792 HydrophobicContact CG2-CD1 3.68Å; T788-L792 HydrophobicContact CG2-CG 4.21Å; T788-L792 VanDerWaalsContact O-CB 3.3Å; T788-L792 WeakPolarHBondContact O-CB 3.13Å; T788-L792 VanDerWaalsContact O-CG 3.29Å; T788-L792 WeakPolarHBondContact O-CG 3.3Å; T788-L792 PolarHBondContact O-N 3.17Å; E790-L792 VanDerWaalsContact C-N 3.34Å; E790-L792 PolarHBondContact O-N 3.43Å; L792-L794 VanDerWaalsContact C-N 3.26Å; L792-L794 HydrophobicContact CB-CD1 4.12Å; L792-L794 HydrophobicContact CB-CD2 4.38Å; L792-L794 HydrophobicContact CB-CG 3.76Å; L792-L794 HydrophobicContact CD1-CD1 4.02Å; L792-L794 PolarHBondContact O-N 3.17Å
793	G	85.8	Confident	81.5	Confident	28 Å²	28	52 Å²	52	29%	0.289	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	70.6	15.2	-178.7	0	0	0	0	0	114.8	Y789 E790 A791 T795 R796	Y789-G793 CarbonylContact O-C 3.23Å; Y789-G793 PolarHBondContact O-N 3Å; Y789-G793 VanDerWaalsContact O-N 3.07Å; E790-G793 PolarHBondContact O-N 3.26Å; A791-G793 VanDerWaalsContact C-N 3.28Å; G793-T795 VanDerWaalsContact C-N 3.27Å; G793-T795 PolarHBondContact O-N 3.48Å; G793-R796 PolarHBondContact O-N 3.5Å; G793-R796 VanDerWaalsContact O-N 3.07Å
794	L	86.6	Confident	82	Confident	18 Å²	18	56.6 Å²	56.6	9%	0.094	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-26.8	-174.5	-60.7	179	0	0	0	113.3	L542 L545 V678 F768 I772 Y789 L792 R796	L542-L794 HydrophobicContact CD1-CD1 3.99Å; L542-L794 HydrophobicContact CD1-CD2 4.08Å; L545-L794 HydrophobicContact CD1-CD1 4.5Å; V678-L794 HydrophobicContact CG2-CD2 3.74Å; F768-L794 HydrophobicContact CZ-CD1 4.26Å; I772-L794 HydrophobicContact CD1-CB 4.1Å; I772-L794 HydrophobicContact CD1-CD1 4.23Å; I772-L794 HydrophobicContact CG2-CB 4.41Å; Y789-L794 HydrophobicContact CD1-CD1 3.86Å; Y789-L794 HydrophobicContact CE1-CD1 4.41Å; Y789-L794 PolarHBondContact O-N 3.24Å; L792-L794 VanDerWaalsContact C-N 3.26Å; L792-L794 HydrophobicContact CB-CD1 4.12Å; L792-L794 HydrophobicContact CB-CD2 4.38Å; L792-L794 HydrophobicContact CB-CG 3.76Å; L792-L794 HydrophobicContact CD1-CD1 4.02Å; L792-L794 PolarHBondContact O-N 3.17Å; L794-R796 PolarHBondContact O-N 3.47Å
795	T	82.7	Confident	82.5	Confident	75 Å²	75	55.8 Å²	55.8	46%	0.46	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.4	-18.9	175.9	56.5	0	0	0	0	112.6	G793 R797	G793-T795 VanDerWaalsContact C-N 3.27Å; G793-T795 PolarHBondContact O-N 3.48Å; T795-R797 PolarHBondContact O-N 3Å
796	R	77.8	Confident	83.2	Confident	167 Å²	167	56.5 Å²	56.5	63%	0.63	31%	0.31	S	S	*	.	S	Bend	trans	-94.8	87.5	178.4	-59.5	-179.9	-173.2	174.6	5.5	107.9	G793 L794 L798	G793-R796 PolarHBondContact O-N 3.5Å; G793-R796 VanDerWaalsContact O-N 3.07Å; L794-R796 PolarHBondContact O-N 3.47Å; R796-L798 HydrophobicContact CB-CD2 4.38Å; R796-L798 WeakPolarHBondContact O-CG 3.33Å; R796-L798 PolarHBondContact O-N 2.87Å
797	R	72.1	Confident	83.7	Confident	59 Å²	59	55.2 Å²	55.2	22%	0.223	30%	0.295	C	S	.	.			trans	-65.2	108	172.3	-60.1	-155.6	-171.1	-154.9	11.2	109.1	F151 A155 D773 T795 E808	F151-R797 HydrophobicContact CE1-CB 3.99Å; F151-R797 HydrophobicContact CE1-CG 4.06Å; A155-R797 WeakPolarHBondContact CB-O 3.41Å; D773-R797 IonicContact OD1-CZ 3.8Å; D773-R797 IonicContact OD1-NE 3.07Å; D773-R797 PolarHBondContact OD1-NE 3.49Å; D773-R797 IonicContact OD1-NH2 2.64Å; D773-R797 PolarHBondContact OD1-NH2 3.45Å; D773-R797 IonicContact OD2-CZ 2.76Å; D773-R797 IonicContact OD2-NH2 3.78Å; D773-R797 PolarHBondContact OD2-NH2 3.4Å; T795-R797 PolarHBondContact O-N 3Å; R797-E808 WeakPolarHBondContact CD-OE1 3.22Å; R797-E808 IonicContact CZ-OE1 2.75Å; R797-E808 IonicContact CZ-OE2 2.92Å; R797-E808 IonicContact NE-OE1 2.77Å; R797-E808 IonicContact NH1-OE1 3.89Å; R797-E808 PolarHBondContact NH1-OE1 3.16Å; R797-E808 IonicContact NH1-OE2 3.82Å; R797-E808 PolarHBondContact NH1-OE2 3.35Å
798	L	77.6	Confident	84.1	Confident	76 Å²	76	52.6 Å²	52.6	40%	0.398	28%	0.279	S	S	.	.	P	Polyproline II helix	trans	-100.7	140.8	178.5	-55	178.6	0	0	0	110.1	P156 C158 R796	P156-L798 HydrophobicContact CG-CD2 3.75Å; C158-L798 HydrophobicContact CB-CB 3.71Å; C158-L798 HydrophobicContact CB-CD1 3.8Å; C158-L798 HydrophobicContact CB-CG 4.36Å; C158-L798 VanDerWaalsContact SG-CD1 3.56Å; R796-L798 HydrophobicContact CB-CD2 4.38Å; R796-L798 WeakPolarHBondContact O-CG 3.33Å; R796-L798 PolarHBondContact O-N 2.87Å
799	R	80.4	Confident	84.5	Confident	64 Å²	64	54.2 Å²	54.2	24%	0.242	29%	0.287	C	S	.	.	B	Isolated β-bridge	trans	-77.5	144.3	170.9	-78.5	-172.7	-74.1	-174	-5.7	111	Y152 L153 A155 P156 L157 C158	Y152-R799 WeakPolarHBondContact O-CD 3.49Å; Y152-R799 WeakPolarHBondContact O-CG 3.44Å; L153-R799 PolarHBondContact O-NH1 3.34Å; L153-R799 PolarHBondContact O-NH2 3.3Å; A155-R799 HydrophobicContact CB-CG 4.13Å; A155-R799 PolarHBondContact O-NE 3.41Å; A155-R799 PolarHBondContact O-NH2 3.32Å; P156-R799 PolarHBondContact O-N 2.98Å; L157-R799 HydrophobicContact CD1-CB 3.93Å; C158-R799 PolarHBondContact N-O 3.31Å
800	I	85.3	Confident	84.7	Confident	7 Å²	7	55.5 Å²	55.5	4%	0.036	29%	0.293	C	S	.	.	P	Polyproline II helix	trans	-83.5	135.2	175.7	-53.1	174.5	0	0	0	109.6	S167 P677 L803 R804 L811	S167-I800 VanDerWaalsContact CB-CG2 3.44Å; P677-I800 HydrophobicContact CB-CD1 4.07Å; P677-I800 HydrophobicContact CG-CD1 3.17Å; P677-I800 HydrophobicContact CG-CG1 3.61Å; I800-L803 HydrophobicContact CB-CB 4.18Å; I800-L803 HydrophobicContact CG2-CB 4.3Å; I800-L803 HydrophobicContact CG2-CD1 4.41Å; I800-L803 CarbonylContact O-C 3.29Å; I800-L803 PolarHBondContact O-N 3.47Å; I800-R804 WeakPolarHBondContact O-CG 3.18Å; I800-R804 PolarHBondContact O-N 2.84Å; I800-L811 HydrophobicContact CD1-CD1 3.55Å; I800-L811 HydrophobicContact CD1-CD2 3.62Å; I800-L811 HydrophobicContact CD1-CG 4.23Å; I800-L811 HydrophobicContact CG1-CD1 4.38Å
801	P	86.8	Confident	85.1	Confident	21 Å²	21	50.3 Å²	50.3	14%	0.136	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.3	141.1	171.3	23.9	-30.1	0	0	0	110.6	C158 V164 S167 L803	C158-P801 WeakPolarHBondContact O-CD 3.45Å; V164-P801 HydrophobicContact CG2-CG 4.06Å; S167-P801 WeakPolarHBondContact CB-O 3.26Å; S167-P801 PolarHBondContact OG-O 3.16Å; P801-L803 PolarHBondContact O-N 2.91Å
802	G	85.8	Confident	85.6	Confident	50 Å²	50	47.6 Å²	47.6	52%	0.515	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	72.3	-18.4	-178.2	0	0	0	0	0	116.5
803	L	87.8	Confident	86	Confident	2 Å²	2	47.1 Å²	47.1	1%	0.01	24%	0.244	C	C	.	.			trans	-120.5	34.8	177.2	-66.8	170.5	0	0	0	111.8	L170 L171 T176 I800 P801 S805 F806 L811 L814	L170-L803 HydrophobicContact CB-CD1 3.86Å; L170-L803 HydrophobicContact CD1-CD1 3.65Å; L170-L803 HydrophobicContact CG-CD1 4.43Å; L171-L803 HydrophobicContact CD1-CG 4.47Å; L171-L803 HydrophobicContact CD2-CD1 4.5Å; L171-L803 HydrophobicContact CD2-CD2 3.64Å; L171-L803 HydrophobicContact CD2-CG 3.93Å; L171-L803 HydrophobicContact CG-CD1 4.38Å; L171-L803 HydrophobicContact CG-CD2 4.37Å; L171-L803 HydrophobicContact CG-CG 4.14Å; T176-L803 HydrophobicContact CG2-CD2 3.84Å; I800-L803 HydrophobicContact CB-CB 4.18Å; I800-L803 HydrophobicContact CG2-CB 4.3Å; I800-L803 HydrophobicContact CG2-CD1 4.41Å; I800-L803 CarbonylContact O-C 3.29Å; I800-L803 PolarHBondContact O-N 3.47Å; P801-L803 PolarHBondContact O-N 2.91Å; L803-S805 PolarHBondContact O-N 3.4Å; L803-F806 HydrophobicContact CB-CD2 4Å; L803-F806 HydrophobicContact CB-CG 4.39Å; L803-F806 HydrophobicContact CD2-CD2 3.73Å; L803-F806 HydrophobicContact CD2-CE1 4.35Å; L803-F806 HydrophobicContact CD2-CE2 3.52Å; L803-F806 HydrophobicContact CD2-CG 4.27Å; L803-F806 HydrophobicContact CD2-CZ 3.87Å; L803-F806 WeakPolarHBondContact O-CB 3.38Å; L803-F806 PolarHBondContact O-N 3.09Å; L803-F806 VanDerWaalsContact O-N 3.12Å; L803-L811 HydrophobicContact CB-CD2 4.3Å; L803-L811 HydrophobicContact CD1-CD2 4.04Å; L803-L814 HydrophobicContact CD1-CD2 4.49Å; L803-L814 HydrophobicContact CD2-CD2 4.21Å
804	R	81.4	Confident	86.4	Confident	137 Å²	137	45.8 Å²	45.8	52%	0.517	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-24.3	-171.4	-60.6	178.1	-174.4	162.7	2.7	114.4	L157 I800 F806	L157-R804 HydrophobicContact CD1-CG 3.79Å; I800-R804 WeakPolarHBondContact O-CG 3.18Å; I800-R804 PolarHBondContact O-N 2.84Å; R804-F806 VanDerWaalsContact C-N 3.34Å
805	S	83	Confident	86.8	Confident	77 Å²	77	45 Å²	45	54%	0.538	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.2	-14.7	179.6	50.4	0	0	0	0	113	L803	L803-S805 PolarHBondContact O-N 3.4Å
806	F	88.4	Confident	87.4	Confident	29 Å²	29	41.5 Å²	41.5	13%	0.127	21%	0.205	C	C	.	.			trans	-84.8	128.9	-172.8	-69.1	-115.1	0	0	0	110.3	T176 W187 L803 R804 E810 L811 L814	T176-F806 HydrophobicContact CG2-CE2 4.21Å; T176-F806 HydrophobicContact CG2-CZ 3.97Å; W187-F806 AromaticContact CZ2-CE1 3.88Å; W187-F806 HydrophobicContact CZ2-CE1 3.88Å; L803-F806 HydrophobicContact CB-CD2 4Å; L803-F806 HydrophobicContact CB-CG 4.39Å; L803-F806 HydrophobicContact CD2-CD2 3.73Å; L803-F806 HydrophobicContact CD2-CE1 4.35Å; L803-F806 HydrophobicContact CD2-CE2 3.52Å; L803-F806 HydrophobicContact CD2-CG 4.27Å; L803-F806 HydrophobicContact CD2-CZ 3.87Å; L803-F806 WeakPolarHBondContact O-CB 3.38Å; L803-F806 PolarHBondContact O-N 3.09Å; L803-F806 VanDerWaalsContact O-N 3.12Å; R804-F806 VanDerWaalsContact C-N 3.34Å; F806-E810 VanDerWaalsContact CA-OE2 3.31Å; F806-E810 WeakPolarHBondContact CA-OE2 3.33Å; F806-E810 HydrophobicContact CB-CB 4.27Å; F806-E810 HydrophobicContact CD1-CB 3.89Å; F806-E810 HydrophobicContact CG-CB 4.48Å; F806-L811 HydrophobicContact CB-CD2 3.79Å; F806-L811 HydrophobicContact CB-CG 3.79Å; F806-L811 HydrophobicContact CD1-CD2 4.46Å; F806-L811 HydrophobicContact CG-CD2 4.32Å; F806-L814 HydrophobicContact CD1-CD2 4.41Å; F806-L814 HydrophobicContact CE1-CD2 3.91Å; F806-L814 HydrophobicContact CZ-CD2 4.48Å
807	N	87.6	Confident	88.3	Confident	37 Å²	37	33.6 Å²	33.6	20%	0.198	18%	0.175	C	C	.	.			trans	-81.1	174.6	166.1	72	56.2	0	0	0	110.9	Y152 N809 E810 L811	Y152-N807 HydrophobicContact CD1-CB 4.31Å; Y152-N807 HydrophobicContact CD2-CB 4.48Å; Y152-N807 HydrophobicContact CE1-CB 4.41Å; Y152-N807 HydrophobicContact CG-CB 4.37Å; N807-N809 PolarHBondContact O-N 3.24Å; N807-N809 WeakPolarHBondContact OD1-CA 3.34Å; N807-N809 WeakPolarHBondContact OD1-CB 3.5Å; N807-N809 PolarHBondContact OD1-N 3.46Å; N807-E810 PolarHBondContact N-OE2 2.83Å; N807-E810 WeakPolarHBondContact ND2-CG 3.34Å; N807-E810 PolarHBondContact ND2-OE2 2.96Å; N807-E810 PolarHBondContact O-N 3.36Å; N807-E810 PolarHBondContact OD1-N 3.09Å; N807-L811 WeakPolarHBondContact O-CB 3.44Å; N807-L811 WeakPolarHBondContact O-CG 3.28Å; N807-L811 PolarHBondContact O-N 2.92Å
808	E	88	Confident	89.3	Confident	45 Å²	45	30.9 Å²	30.9	21%	0.21	17%	0.165	C	C	.	.	H	α-helix	trans	-62.8	-37.2	-177.7	-75	172.1	-171.3	0	0	113.9	A679 V769 R797 L811 F812	A679-E808 HydrophobicContact CB-CB 4.12Å; A679-E808 HydrophobicContact CB-CG 4.49Å; A679-E808 WeakPolarHBondContact CB-O 3.4Å; V769-E808 WeakPolarHBondContact CG1-OE2 3Å; V769-E808 WeakPolarHBondContact CG2-OE2 3.16Å; R797-E808 WeakPolarHBondContact CD-OE1 3.22Å; R797-E808 IonicContact CZ-OE1 2.75Å; R797-E808 IonicContact CZ-OE2 2.92Å; R797-E808 IonicContact NE-OE1 2.77Å; R797-E808 IonicContact NH1-OE1 3.89Å; R797-E808 PolarHBondContact NH1-OE1 3.16Å; R797-E808 IonicContact NH1-OE2 3.82Å; R797-E808 PolarHBondContact NH1-OE2 3.35Å; E808-L811 PolarHBondContact O-N 3.48Å; E808-F812 WeakPolarHBondContact O-CB 3.45Å; E808-F812 PolarHBondContact O-N 2.83Å
809	N	91.9	Very high	90	Very high	55 Å²	55	28.3 Å²	28.3	29%	0.294	15%	0.15	S	C	.	.	H	α-helix	trans	-70.7	-37.4	179	-61.6	-27.6	0	0	0	111.1	N807 T813 F856	N807-N809 PolarHBondContact O-N 3.24Å; N807-N809 WeakPolarHBondContact OD1-CA 3.34Å; N807-N809 WeakPolarHBondContact OD1-CB 3.5Å; N807-N809 PolarHBondContact OD1-N 3.46Å; N809-T813 WeakPolarHBondContact O-CB 3.32Å; N809-T813 PolarHBondContact O-N 3.3Å; N809-T813 PolarHBondContact O-OG1 2.75Å; N809-F856 HydrophobicContact CB-CE1 4.47Å; N809-F856 HydrophobicContact CB-CE2 4.39Å; N809-F856 HydrophobicContact CB-CZ 3.75Å
810	E	92.6	Very high	90.5	Very high	31 Å²	31	25.7 Å²	25.7	15%	0.145	14%	0.141	C	C	.	.	H	α-helix	trans	-66.1	-41.2	173.3	-69.1	171.7	143.9	0	0	111.2	F806 N807 T813 L814 S860 T861	F806-E810 VanDerWaalsContact CA-OE2 3.31Å; F806-E810 WeakPolarHBondContact CA-OE2 3.33Å; F806-E810 HydrophobicContact CB-CB 4.27Å; F806-E810 HydrophobicContact CD1-CB 3.89Å; F806-E810 HydrophobicContact CG-CB 4.48Å; N807-E810 PolarHBondContact N-OE2 2.83Å; N807-E810 WeakPolarHBondContact ND2-CG 3.34Å; N807-E810 PolarHBondContact ND2-OE2 2.96Å; N807-E810 PolarHBondContact O-N 3.36Å; N807-E810 PolarHBondContact OD1-N 3.09Å; E810-T813 PolarHBondContact O-N 3.34Å; E810-L814 WeakPolarHBondContact O-CB 3.31Å; E810-L814 PolarHBondContact O-N 3.42Å; E810-S860 WeakPolarHBondContact CG-O 3.35Å; E810-T861 HydrophobicContact CG-CG2 4.33Å
811	L	93	Very high	90.8	Very high	10 Å²	10	25.4 Å²	25.4	5%	0.052	14%	0.139	C	C	.	.	H	α-helix	trans	-64.4	-42.5	175.3	-74.8	170.7	0	0	0	112.2	L170 P677 A679 I800 L803 F806 N807 E808 T813 S815	L170-L811 HydrophobicContact CD1-CD2 4.4Å; P677-L811 HydrophobicContact CB-CD1 4.48Å; A679-L811 HydrophobicContact CB-CB 3.95Å; I800-L811 HydrophobicContact CD1-CD1 3.55Å; I800-L811 HydrophobicContact CD1-CD2 3.62Å; I800-L811 HydrophobicContact CD1-CG 4.23Å; I800-L811 HydrophobicContact CG1-CD1 4.38Å; L803-L811 HydrophobicContact CB-CD2 4.3Å; L803-L811 HydrophobicContact CD1-CD2 4.04Å; F806-L811 HydrophobicContact CB-CD2 3.79Å; F806-L811 HydrophobicContact CB-CG 3.79Å; F806-L811 HydrophobicContact CD1-CD2 4.46Å; F806-L811 HydrophobicContact CG-CD2 4.32Å; N807-L811 WeakPolarHBondContact O-CB 3.44Å; N807-L811 WeakPolarHBondContact O-CG 3.28Å; N807-L811 PolarHBondContact O-N 2.92Å; E808-L811 PolarHBondContact O-N 3.48Å; L811-T813 VanDerWaalsContact C-N 3.31Å; L811-S815 VanDerWaalsContact O-CB 3.26Å; L811-S815 WeakPolarHBondContact O-CB 3.41Å; L811-S815 PolarHBondContact O-N 2.95Å; L811-S815 PolarHBondContact O-OG 3.27Å
812	F	95.3	Very high	90.9	Very high	1 Å²	1	25 Å²	25	0%	0.004	14%	0.138	C	C	.	.	H	α-helix	trans	-58.1	-49	173.5	174.9	-83.3	0	0	0	110	A679 F682 A683 A761 A762 L765 E808 L814 S815 Y816 F856 L857	A679-F812 HydrophobicContact CB-CB 4.15Å; F682-F812 HydrophobicContact CB-CD2 4.12Å; F682-F812 HydrophobicContact CB-CE2 4.16Å; A683-F812 HydrophobicContact CB-CD2 3.63Å; A683-F812 HydrophobicContact CB-CE2 3.89Å; A683-F812 HydrophobicContact CB-CG 4.11Å; A683-F812 WeakPolarHBondContact CB-O 3.44Å; A761-F812 HydrophobicContact CB-CE2 4.11Å; A761-F812 HydrophobicContact CB-CZ 4.05Å; A762-F812 HydrophobicContact CB-CD1 4.37Å; A762-F812 HydrophobicContact CB-CE1 3.66Å; A762-F812 HydrophobicContact CB-CZ 3.79Å; L765-F812 HydrophobicContact CD2-CB 3.56Å; L765-F812 HydrophobicContact CD2-CD2 3.65Å; L765-F812 HydrophobicContact CD2-CG 3.81Å; E808-F812 WeakPolarHBondContact O-CB 3.45Å; E808-F812 PolarHBondContact O-N 2.83Å; F812-L814 PolarHBondContact O-N 3.37Å; F812-S815 PolarHBondContact O-N 3.17Å; F812-Y816 VanDerWaalsContact O-CB 3.24Å; F812-Y816 WeakPolarHBondContact O-CB 3.36Å; F812-Y816 PolarHBondContact O-N 3.24Å; F812-F856 HydrophobicContact CD1-CD1 4.33Å; F812-F856 AromaticContact CD1-CE1 3.66Å; F812-F856 HydrophobicContact CD1-CE1 3.66Å; F812-F856 HydrophobicContact CE1-CD1 4.42Å; F812-F856 HydrophobicContact CE1-CE1 4.13Å; F812-F856 HydrophobicContact CG-CE1 4.4Å; F812-L857 HydrophobicContact CD1-CD2 4.27Å; F812-L857 HydrophobicContact CE1-CD2 4.06Å
813	T	95.7	Very high	90.9	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-61.4	-48.2	-177.9	-58.6	0	0	0	0	111.2	W187 N809 E810 L811 S815 Y816 M817 W851 L857 S860 T861	W187-T813 HydrophobicContact CH2-CG2 4.13Å; W187-T813 HydrophobicContact CZ3-CG2 4.37Å; N809-T813 WeakPolarHBondContact O-CB 3.32Å; N809-T813 PolarHBondContact O-N 3.3Å; N809-T813 PolarHBondContact O-OG1 2.75Å; E810-T813 PolarHBondContact O-N 3.34Å; L811-T813 VanDerWaalsContact C-N 3.31Å; T813-S815 PolarHBondContact O-N 2.86Å; T813-Y816 PolarHBondContact O-N 3.13Å; T813-M817 HydrophobicContact CG2-CG 4.33Å; T813-M817 WeakPolarHBondContact O-CB 3.34Å; T813-M817 WeakPolarHBondContact O-CG 3.3Å; T813-M817 PolarHBondContact O-N 2.83Å; T813-W851 HydrophobicContact CG2-CH2 4.41Å; T813-W851 HydrophobicContact CG2-CZ3 3.72Å; T813-L857 HydrophobicContact CG2-CB 3.94Å; T813-L857 HydrophobicContact CG2-CD2 3.93Å; T813-S860 PolarHBondContact OG1-OG 2.71Å; T813-T861 HydrophobicContact CG2-CG2 4.07Å
814	L	95.3	Very high	90.3	Very high	0 Å²	0	28 Å²	28	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-59.1	-49.1	176.5	179.3	61.9	0	0	0	111.6	A174 W187 A188 L803 F806 E810 F812 Y816 Q818	A174-L814 HydrophobicContact CB-CD1 3.94Å; A174-L814 HydrophobicContact CB-CD2 4.2Å; W187-L814 HydrophobicContact CD2-CD1 4.26Å; W187-L814 HydrophobicContact CE3-CD1 4.24Å; W187-L814 HydrophobicContact CH2-CB 3.73Å; W187-L814 HydrophobicContact CH2-CD1 3.91Å; W187-L814 HydrophobicContact CH2-CG 4.43Å; W187-L814 HydrophobicContact CZ2-CB 3.99Å; W187-L814 HydrophobicContact CZ2-CD1 3.92Å; W187-L814 HydrophobicContact CZ2-CG 4.46Å; W187-L814 HydrophobicContact CZ3-CB 4.47Å; W187-L814 HydrophobicContact CZ3-CD1 4.06Å; A188-L814 HydrophobicContact CB-CD1 4.18Å; L803-L814 HydrophobicContact CD1-CD2 4.49Å; L803-L814 HydrophobicContact CD2-CD2 4.21Å; F806-L814 HydrophobicContact CD1-CD2 4.41Å; F806-L814 HydrophobicContact CE1-CD2 3.91Å; F806-L814 HydrophobicContact CZ-CD2 4.48Å; E810-L814 WeakPolarHBondContact O-CB 3.31Å; E810-L814 PolarHBondContact O-N 3.42Å; F812-L814 PolarHBondContact O-N 3.37Å; L814-Y816 PolarHBondContact O-N 3.06Å; L814-Q818 WeakPolarHBondContact O-CB 3.33Å; L814-Q818 VanDerWaalsContact O-CG 3.32Å; L814-Q818 WeakPolarHBondContact O-CG 3.43Å; L814-Q818 PolarHBondContact O-N 3.16Å; L814-Q818 VanDerWaalsContact O-N 3.1Å
815	S	94.9	Very high	89.7	Confident	2 Å²	2	22.3 Å²	22.3	1%	0.014	13%	0.126	C	C	.	.	H	α-helix	trans	-65.1	-39.3	-176.5	-55.1	0	0	0	0	112.3	L170 L811 F812 T813	L170-S815 WeakPolarHBondContact CD2-OG 3.36Å; L811-S815 VanDerWaalsContact O-CB 3.26Å; L811-S815 WeakPolarHBondContact O-CB 3.41Å; L811-S815 PolarHBondContact O-N 2.95Å; L811-S815 PolarHBondContact O-OG 3.27Å; F812-S815 PolarHBondContact O-N 3.17Å; T813-S815 PolarHBondContact O-N 2.86Å
816	Y	95.3	Very high	88.6	Confident	2 Å²	2	20 Å²	20	1%	0.008	11%	0.111	C	C	.	.	H	α-helix	trans	-71	-48.3	179.3	-179.6	-91.8	0	0	0	111	T687 A758 F812 T813 L814 Q818 Q819 H820 T850 L857	T687-Y816 HydrophobicContact CG2-CD2 3.76Å; T687-Y816 HydrophobicContact CG2-CE2 3.76Å; A758-Y816 HydrophobicContact CB-CD2 4.28Å; A758-Y816 HydrophobicContact CB-CE1 3.97Å; A758-Y816 HydrophobicContact CB-CE2 3.46Å; A758-Y816 VanDerWaalsContact CB-CE2 3.46Å; A758-Y816 WeakPolarHBondContact CB-OH 3.48Å; F812-Y816 VanDerWaalsContact O-CB 3.24Å; F812-Y816 WeakPolarHBondContact O-CB 3.36Å; F812-Y816 PolarHBondContact O-N 3.24Å; T813-Y816 PolarHBondContact O-N 3.13Å; L814-Y816 PolarHBondContact O-N 3.06Å; Y816-Q818 PolarHBondContact O-N 2.5Å; Y816-Q818 VanDerWaalsContact O-N 3.12Å; Y816-Q819 WeakPolarHBondContact O-CB 3.43Å; Y816-Q819 PolarHBondContact O-N 3.44Å; Y816-H820 AromaticContact CE1-CD2 3.88Å; Y816-H820 AromaticContact CE1-NE2 3.62Å; Y816-H820 AromaticContact CZ-NE2 3.49Å; Y816-H820 PolarHBondContact OH-NE2 2.86Å; Y816-H820 VanDerWaalsContact OH-NE2 3.14Å; Y816-T850 HydrophobicContact CD1-CG2 4.05Å; Y816-T850 HydrophobicContact CE1-CG2 3.23Å; Y816-L857 HydrophobicContact CD1-CD1 4.27Å
817	M	95.3	Very high	87	Confident	0 Å²	0	27 Å²	27	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-59.8	-28.2	177.8	-66.9	-55.3	-62.3	0	0	111.9	A188 T813 Q819 H820 F847 T850 W851 L857	A188-M817 HydrophobicContact CB-CB 3.97Å; T813-M817 HydrophobicContact CG2-CG 4.33Å; T813-M817 WeakPolarHBondContact O-CB 3.34Å; T813-M817 WeakPolarHBondContact O-CG 3.3Å; T813-M817 PolarHBondContact O-N 2.83Å; M817-Q819 VanDerWaalsContact C-N 3.29Å; M817-Q819 PolarHBondContact O-N 2.9Å; M817-H820 PolarHBondContact O-N 3.45Å; M817-F847 HydrophobicContact CB-CE2 3.92Å; M817-F847 HydrophobicContact CB-CZ 4.3Å; M817-F847 HydrophobicContact CE-CD1 3.57Å; M817-F847 HydrophobicContact CE-CD2 3.61Å; M817-F847 HydrophobicContact CE-CE1 3.38Å; M817-F847 HydrophobicContact CE-CE2 3.44Å; M817-F847 VanDerWaalsContact CE-CE2 3.44Å; M817-F847 HydrophobicContact CE-CG 3.66Å; M817-F847 HydrophobicContact CE-CZ 3.29Å; M817-F847 WeakPolarHBondContact CE-O 3.48Å; M817-F847 WeakPolarHBondContact O-CD2 3.34Å; M817-F847 WeakPolarHBondContact O-CE2 3.21Å; M817-T850 HydrophobicContact SD-CG2 4.39Å; M817-W851 HydrophobicContact CE-CB 4.02Å; M817-W851 HydrophobicContact CE-CE3 3.95Å; M817-W851 HydrophobicContact CG-CE3 4.11Å; M817-W851 HydrophobicContact CG-CZ3 4.26Å; M817-W851 HydrophobicContact SD-CE3 3.9Å; M817-L857 HydrophobicContact SD-CD1 3.8Å
818	Q	93.8	Very high	85.6	Confident	3 Å²	3	27.8 Å²	27.8	1%	0.014	15%	0.151	C	C	.	.	G	3₁₀ helix	trans	-67.9	-22.3	174.7	-81.3	-176.8	-15.2	0	0	115.1	L170 W173 A188 L814 Y816 H820 C821	L170-Q818 VanDerWaalsContact CD2-OE1 3.24Å; L170-Q818 PolarHBondContact O-NE2 3.36Å; W173-Q818 HydrophobicContact CE3-CB 4.22Å; W173-Q818 HydrophobicContact CE3-CG 4.37Å; A188-Q818 HydrophobicContact CB-CG 4.44Å; A188-Q818 VanDerWaalsContact O-CG 3.24Å; A188-Q818 WeakPolarHBondContact O-CG 3.17Å; A188-Q818 PolarHBondContact O-NE2 3.35Å; L814-Q818 WeakPolarHBondContact O-CB 3.33Å; L814-Q818 VanDerWaalsContact O-CG 3.32Å; L814-Q818 WeakPolarHBondContact O-CG 3.43Å; L814-Q818 PolarHBondContact O-N 3.16Å; L814-Q818 VanDerWaalsContact O-N 3.1Å; Y816-Q818 PolarHBondContact O-N 2.5Å; Y816-Q818 VanDerWaalsContact O-N 3.12Å; Q818-H820 PolarHBondContact O-N 3.39Å; Q818-C821 VanDerWaalsContact CA-SG 3.5Å; Q818-C821 WeakPolarHBondContact O-CB 3.39Å; Q818-C821 PolarHBondContact O-N 3.13Å; Q818-C821 PolarHBondContact O-SG 2.89Å; Q818-C821 VanDerWaalsContact O-SG 3.39Å
819	Q	91.7	Very high	84.6	Confident	21 Å²	21	30.3 Å²	30.3	10%	0.098	17%	0.167	C	C	.	.	G	3₁₀ helix	trans	-65	-22.6	173.1	-65.5	-178.4	-37.2	0	0	112.1	Y211 Y671 A683 Y816 M817	Y211-Q819 WeakPolarHBondContact CB-O 3.46Å; Y211-Q819 HydrophobicContact CD1-CB 4.2Å; Y211-Q819 HydrophobicContact CD1-CG 4.1Å; Y211-Q819 HydrophobicContact CE1-CG 4.02Å; Y211-Q819 HydrophobicContact CG-CB 4.41Å; Y671-Q819 PolarHBondContact OH-NE2 3.31Å; A683-Q819 PolarHBondContact O-NE2 3Å; A683-Q819 VanDerWaalsContact O-NE2 3.17Å; A683-Q819 PolarHBondContact O-OE1 2.89Å; Y816-Q819 WeakPolarHBondContact O-CB 3.43Å; Y816-Q819 PolarHBondContact O-N 3.44Å; M817-Q819 VanDerWaalsContact C-N 3.29Å; M817-Q819 PolarHBondContact O-N 2.9Å
820	H	92.2	Very high	84.1	Confident	10 Å²	10	28 Å²	28	5%	0.046	15%	0.154	C	C	.	.	G	3₁₀ helix	trans	-101.8	13.1	178	-57.2	-60.3	0	0	0	113.1	Y816 M817 Q818 S822 E843 F847	Y816-H820 AromaticContact CE1-CD2 3.88Å; Y816-H820 AromaticContact CE1-NE2 3.62Å; Y816-H820 AromaticContact CZ-NE2 3.49Å; Y816-H820 PolarHBondContact OH-NE2 2.86Å; Y816-H820 VanDerWaalsContact OH-NE2 3.14Å; M817-H820 PolarHBondContact O-N 3.45Å; Q818-H820 PolarHBondContact O-N 3.39Å; H820-S822 PolarHBondContact O-N 2.9Å; H820-E843 WeakPolarHBondContact CA-OE2 3.21Å; H820-E843 IonicContact CE1-OE2 3.89Å; H820-E843 IonicContact CG-OE2 3.69Å; H820-E843 IonicContact ND1-OE2 2.78Å; H820-E843 PolarHBondContact ND1-OE2 3.39Å; H820-F847 HydrophobicContact CB-CB 3.86Å; H820-F847 HydrophobicContact CB-CD2 3.94Å; H820-F847 HydrophobicContact CB-CG 4.39Å
821	C	91.5	Very high	83.4	Confident	0 Å²	0	27.7 Å²	27.7	0%	0	16%	0.157	C	C	.	.			trans	-65.4	130.8	169.5	-64.4	0	0	0	0	109.7	C189 F192 N210 Y211 Q818	C189-C821 VanDerWaalsContact CA-SG 3.54Å; C189-C821 HydrophobicContact CB-CB 3.8Å; C189-C821 WeakPolarHBondContact CB-SG 3.24Å; C189-C821 WeakPolarHBondContact SG-CA 3.48Å; C189-C821 WeakPolarHBondContact SG-CB 3.42Å; C189-C821 CovalentContact SG-SG 2.03Å; C189-C821 PolarHBondContact SG-SG 2.83Å; F192-C821 HydrophobicContact CB-CB 4.19Å; F192-C821 HydrophobicContact CD1-CB 4.02Å; F192-C821 HydrophobicContact CD2-CB 3.6Å; F192-C821 HydrophobicContact CE1-CB 4.3Å; F192-C821 HydrophobicContact CE2-CB 3.89Å; F192-C821 HydrophobicContact CG-CB 3.67Å; F192-C821 HydrophobicContact CZ-CB 4.22Å; N210-C821 WeakPolarHBondContact CA-O 3.26Å; Y211-C821 PolarHBondContact N-O 3.39Å; Q818-C821 VanDerWaalsContact CA-SG 3.5Å; Q818-C821 WeakPolarHBondContact O-CB 3.39Å; Q818-C821 PolarHBondContact O-N 3.13Å; Q818-C821 PolarHBondContact O-SG 2.89Å; Q818-C821 VanDerWaalsContact O-SG 3.39Å
822	S	88.8	Confident	82.7	Confident	14 Å²	14	32.1 Å²	32.1	10%	0.098	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	152.2	179.3	58	0	0	0	0	113.3	Y185 W209 H820 E843	Y185-S822 PolarHBondContact OH-N 3.13Å; Y185-S822 PolarHBondContact OH-O 3.22Å; W209-S822 CarbonylContact O-C 3.6Å; W209-S822 VanDerWaalsContact O-CA 3.27Å; W209-S822 WeakPolarHBondContact O-CA 3.18Å; H820-S822 PolarHBondContact O-N 2.9Å; S822-E843 WeakPolarHBondContact OG-CB 3.41Å
823	T	84.9	Confident	82	Confident	18 Å²	18	32.4 Å²	32.4	11%	0.11	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	135.7	168.7	53	0	0	0	0	109	F192 A193 Y196 E208 W209	F192-T823 HydrophobicContact CD1-CG2 3.77Å; F192-T823 HydrophobicContact CE1-CG2 4.02Å; A193-T823 HydrophobicContact CB-CG2 3.64Å; Y196-T823 HydrophobicContact CD1-CG2 3.98Å; Y196-T823 WeakPolarHBondContact CD1-OG1 3.43Å; Y196-T823 HydrophobicContact CE1-CG2 4.5Å; Y196-T823 WeakPolarHBondContact CE1-OG1 3.17Å; Y196-T823 HydrophobicContact CG-CG2 4.38Å; E208-T823 WeakPolarHBondContact CA-O 3.37Å; W209-T823 PolarHBondContact N-O 2.96Å; W209-T823 PolarHBondContact O-N 3.06Å
824	T	76.1	Confident	81.5	Confident	95 Å²	95	32.5 Å²	32.5	58%	0.583	17%	0.174	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-77.8	129.6	173.9	51.2	0	0	0	0	109.4	A826	T824-A826 VanDerWaalsContact C-N 3.27Å; T824-A826 PolarHBondContact O-N 3.32Å
825	I	67.6	Low	81	Confident	19 Å²	19	32.8 Å²	32.8	10%	0.097	18%	0.177	C	C	.	.	S	Bend	trans	-73.7	-25.7	-175.4	-55.3	177.3	0	0	0	110.9	Y196 K205 G207	Y196-I825 WeakPolarHBondContact OH-CG1 3.18Å; K205-I825 HydrophobicContact CB-CD1 3.61Å; K205-I825 WeakPolarHBondContact O-CD1 3.22Å; G207-I825 PolarHBondContact O-N 2.75Å
826	A	60.8	Low	80.4	Confident	28 Å²	28	34.3 Å²	34.3	23%	0.231	18%	0.184	C	C	.	.	S	Bend	trans	-145.9	160.3	174.4	0	0	0	0	0	110.3	T824 K828	T824-A826 VanDerWaalsContact C-N 3.27Å; T824-A826 PolarHBondContact O-N 3.32Å; A826-K828 HydrophobicContact CB-CB 4.46Å; A826-K828 HydrophobicContact CB-CG 4.07Å; A826-K828 PolarHBondContact O-N 2.92Å
827	D	54.1	Low	79.8	Confident	177 Å²	177	35.6 Å²	35.6	95%	0.947	19%	0.192	S	C	*	.	S	Bend	trans	-74.6	50.5	169.5	-154.1	14.6	0	0	0	110.1
828	K	58.6	Low	79.3	Confident	52 Å²	52	39.1 Å²	39.1	23%	0.226	21%	0.209	C	C	.	.	S	Bend	trans	-106.1	147.8	173.1	-70.9	-147.4	-175.1	-168.3	0	108.4	E343 H484 A485 G488 A826 Y830	E343-K828 IonicContact OE1-NZ 2.52Å; E343-K828 PolarHBondContact OE1-NZ 3.23Å; H484-K828 PolarHBondContact O-NZ 3.42Å; A485-K828 PolarHBondContact O-NZ 3.17Å; G488-K828 VanDerWaalsContact CA-CD 3.45Å; A826-K828 HydrophobicContact CB-CB 4.46Å; A826-K828 HydrophobicContact CB-CG 4.07Å; A826-K828 PolarHBondContact O-N 2.92Å; K828-Y830 PolarHBondContact O-N 3.29Å
829	D	68.1	Low	78.8	Confident	99 Å²	99	41 Å²	41	53%	0.529	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.8	39.7	176.4	-72.1	-25.4	0	0	0	112.7	A831 R832	D829-A831 PolarHBondContact O-N 3.23Å; D829-R832 HydrophobicContact CB-CB 4.06Å; D829-R832 VanDerWaalsContact O-CB 3.23Å; D829-R832 WeakPolarHBondContact O-CB 3.34Å; D829-R832 PolarHBondContact O-N 3.44Å
830	Y	80.1	Confident	78.3	Confident	6 Å²	6	43.1 Å²	43.1	2%	0.024	23%	0.232	C	C	.	.	H	α-helix	trans	-55.1	-39.8	176.7	179.6	-112.8	0	0	0	111.4	E208 Y487 K828 R832 I833 K834 V837 E838	E208-Y830 HydrophobicContact CB-CD1 4.35Å; E208-Y830 HydrophobicContact CB-CE1 4.49Å; E208-Y830 HydrophobicContact CG-CD1 4.27Å; E208-Y830 HydrophobicContact CG-CE1 3.93Å; Y487-Y830 HydrophobicContact CD1-CD2 4.01Å; Y487-Y830 AromaticContact CD1-CE2 3.42Å; Y487-Y830 HydrophobicContact CD1-CE2 3.42Å; Y487-Y830 VanDerWaalsContact CD1-CE2 3.42Å; Y487-Y830 AromaticContact CE1-CE2 3.86Å; Y487-Y830 HydrophobicContact CE1-CE2 3.86Å; K828-Y830 PolarHBondContact O-N 3.29Å; Y830-R832 PolarHBondContact O-N 3.39Å; Y830-R832 VanDerWaalsContact O-N 3.1Å; Y830-I833 HydrophobicContact CD2-CD1 4.05Å; Y830-I833 HydrophobicContact CD2-CG1 3.88Å; Y830-I833 HydrophobicContact CE2-CD1 4.47Å; Y830-I833 HydrophobicContact CE2-CG1 4.32Å; Y830-I833 WeakPolarHBondContact O-CG1 3.38Å; Y830-I833 PolarHBondContact O-N 3.49Å; Y830-K834 HydrophobicContact CD1-CB 4.36Å; Y830-K834 HydrophobicContact CE1-CB 3.92Å; Y830-K834 HydrophobicContact CE1-CD 3.93Å; Y830-K834 HydrophobicContact CE1-CG 3.79Å; Y830-K834 HydrophobicContact CE2-CB 4.46Å; Y830-K834 PolarHBondContact O-N 2.84Å; Y830-V837 HydrophobicContact CE2-CG2 4.08Å; Y830-E838 PolarHBondContact OH-OE1 2.83Å; Y830-E838 PolarHBondContact OH-OE2 3.22Å
831	A	78.7	Confident	77.8	Confident	25 Å²	25	43.1 Å²	43.1	21%	0.207	23%	0.233	C	C	.	.	H	α-helix	trans	-55.4	-29.4	176.3	0	0	0	0	0	113.3	D829 A842 Y845	D829-A831 PolarHBondContact O-N 3.23Å; A831-A842 HydrophobicContact CB-CB 3.62Å; A831-Y845 HydrophobicContact CB-CE2 4.11Å
832	R	77.9	Confident	77.5	Confident	102 Å²	102	43.2 Å²	43.2	39%	0.385	23%	0.233	S	C	.	.	H	α-helix	trans	-73.8	-38.1	177.1	-176.3	-174.6	170	-162.2	-6.3	112	Y334 D829 Y830	Y334-R832 PolarHBondContact OH-NH2 3.1Å; D829-R832 HydrophobicContact CB-CB 4.06Å; D829-R832 VanDerWaalsContact O-CB 3.23Å; D829-R832 WeakPolarHBondContact O-CB 3.34Å; D829-R832 PolarHBondContact O-N 3.44Å; Y830-R832 PolarHBondContact O-N 3.39Å; Y830-R832 VanDerWaalsContact O-N 3.1Å
833	I	81.6	Confident	77.4	Confident	8 Å²	8	43.2 Å²	43.2	4%	0.041	23%	0.232	C	C	.	.	H	α-helix	trans	-94.7	-19.4	-175.6	64.5	165.2	0	0	0	113.5	F335 L486 Y830 P835 L836 V837	F335-I833 HydrophobicContact CE1-CG2 4.23Å; F335-I833 HydrophobicContact CZ-CB 4.26Å; F335-I833 HydrophobicContact CZ-CG2 4.15Å; L486-I833 HydrophobicContact CD1-CD1 3.65Å; L486-I833 HydrophobicContact CG-CD1 4.33Å; L486-I833 WeakPolarHBondContact O-CD1 3.44Å; Y830-I833 HydrophobicContact CD2-CD1 4.05Å; Y830-I833 HydrophobicContact CD2-CG1 3.88Å; Y830-I833 HydrophobicContact CE2-CD1 4.47Å; Y830-I833 HydrophobicContact CE2-CG1 4.32Å; Y830-I833 WeakPolarHBondContact O-CG1 3.38Å; Y830-I833 PolarHBondContact O-N 3.49Å; I833-P835 VanDerWaalsContact C-N 3.29Å; I833-L836 WeakPolarHBondContact O-CA 3.2Å; I833-L836 WeakPolarHBondContact O-CB 3.49Å; I833-L836 PolarHBondContact O-N 3.29Å; I833-V837 WeakPolarHBondContact O-CG2 3.39Å; I833-V837 PolarHBondContact O-N 3.41Å
834	K	85.2	Confident	77.3	Confident	1 Å²	1	44.8 Å²	44.8	0%	0.004	24%	0.243	C	C	.	.	H	α-helix	trans	-47.8	-43.9	178.4	-167	-172.6	175	-167.3	0	113	E208 Y830 L836 V837 E838 Q840 L841 A842 E843	E208-K834 VanDerWaalsContact OE1-CE 3.28Å; E208-K834 WeakPolarHBondContact OE1-CE 3.1Å; E208-K834 IonicContact OE1-NZ 3.22Å; E208-K834 PolarHBondContact OE1-NZ 2.87Å; E208-K834 IonicContact OE2-NZ 3.81Å; Y830-K834 HydrophobicContact CD1-CB 4.36Å; Y830-K834 HydrophobicContact CE1-CB 3.92Å; Y830-K834 HydrophobicContact CE1-CD 3.93Å; Y830-K834 HydrophobicContact CE1-CG 3.79Å; Y830-K834 HydrophobicContact CE2-CB 4.46Å; Y830-K834 PolarHBondContact O-N 2.84Å; K834-L836 PolarHBondContact O-N 3.09Å; K834-V837 PolarHBondContact O-N 2.89Å; K834-E838 WeakPolarHBondContact CE-OE2 3.36Å; K834-E838 HydrophobicContact CG-CB 4.2Å; K834-E838 VanDerWaalsContact CG-OE2 3.31Å; K834-E838 WeakPolarHBondContact CG-OE2 2.95Å; K834-E838 PolarHBondContact O-N 3.34Å; K834-Q840 CarbonylContact C-O 3.54Å; K834-Q840 VanDerWaalsContact C-O 3.29Å; K834-L841 WeakPolarHBondContact CD-O 3.36Å; K834-L841 WeakPolarHBondContact CE-O 3.49Å; K834-L841 PolarHBondContact NZ-O 3.38Å; K834-A842 HydrophobicContact CD-CB 4.4Å; K834-E843 IonicContact NZ-OE1 3.97Å; K834-E843 PolarHBondContact NZ-OE1 2.86Å
835	P	83.3	Confident	77.6	Confident	7 Å²	7	43.4 Å²	43.4	5%	0.045	23%	0.228	C	C	.	.	H	α-helix	trans	-65.1	-22.9	179.1	-21.6	34.5	0	0	0	114.5	L743 A747 I833 S839 Q840 L841	L743-P835 HydrophobicContact CD2-CB 3.27Å; L743-P835 HydrophobicContact CD2-CG 3.77Å; A747-P835 HydrophobicContact CB-CB 4.22Å; I833-P835 VanDerWaalsContact C-N 3.29Å; P835-S839 VanDerWaalsContact O-CA 3.28Å; P835-S839 WeakPolarHBondContact O-CA 3.36Å; P835-S839 PolarHBondContact O-N 2.94Å; P835-Q840 WeakPolarHBondContact CA-O 3.34Å; P835-Q840 VanDerWaalsContact N-O 3.15Å; P835-L841 HydrophobicContact CG-CD2 3.98Å
836	L	82.7	Confident	78.4	Confident	34 Å²	34	43 Å²	43	18%	0.178	23%	0.226	C	C	.	.	H	α-helix	trans	-85.2	-44.9	176.7	-58.2	170.1	0	0	0	110.8	D332 Y334 I833 K834	D332-L836 HydrophobicContact CB-CB 4.09Å; Y334-L836 HydrophobicContact CD1-CD1 3.29Å; Y334-L836 HydrophobicContact CD2-CD1 4.29Å; Y334-L836 HydrophobicContact CE1-CD1 3.79Å; Y334-L836 HydrophobicContact CG-CD1 3.56Å; Y334-L836 HydrophobicContact CG-CD2 4.42Å; I833-L836 WeakPolarHBondContact O-CA 3.2Å; I833-L836 WeakPolarHBondContact O-CB 3.49Å; I833-L836 PolarHBondContact O-N 3.29Å; K834-L836 PolarHBondContact O-N 3.09Å
837	V	83.8	Confident	79.8	Confident	28 Å²	28	41.8 Å²	41.8	17%	0.17	22%	0.215	C	C	.	.	H	α-helix	trans	-83.7	-28.7	-173.2	-57.7	0	0	0	0	113.7	P331 F335 L486 Y487 Y830 I833 K834	P331-V837 HydrophobicContact CB-CB 4.25Å; P331-V837 HydrophobicContact CB-CG1 3.88Å; P331-V837 HydrophobicContact CG-CG1 4.11Å; F335-V837 HydrophobicContact CE2-CG1 4.02Å; F335-V837 HydrophobicContact CZ-CG1 4.25Å; L486-V837 HydrophobicContact CD1-CG1 4.48Å; Y487-V837 HydrophobicContact CE1-CG2 4.22Å; Y830-V837 HydrophobicContact CE2-CG2 4.08Å; I833-V837 WeakPolarHBondContact O-CG2 3.39Å; I833-V837 PolarHBondContact O-N 3.41Å; K834-V837 PolarHBondContact O-N 2.89Å
838	E	83.6	Confident	81.4	Confident	75 Å²	75	36.7 Å²	36.7	35%	0.35	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-120.4	-4.3	-176.3	-75.6	175.7	179.1	0	0	113.1	Y830 K834 Q840	Y830-E838 PolarHBondContact OH-OE1 2.83Å; Y830-E838 PolarHBondContact OH-OE2 3.22Å; K834-E838 WeakPolarHBondContact CE-OE2 3.36Å; K834-E838 HydrophobicContact CG-CB 4.2Å; K834-E838 VanDerWaalsContact CG-OE2 3.31Å; K834-E838 WeakPolarHBondContact CG-OE2 2.95Å; K834-E838 PolarHBondContact O-N 3.34Å; E838-Q840 HydrophobicContact CB-CB 4.47Å; E838-Q840 PolarHBondContact O-N 3.18Å
839	S	82.8	Confident	82.5	Confident	43 Å²	43	34.5 Å²	34.5	30%	0.301	18%	0.179	S	C	.	.	S	Bend	trans	54.1	32.1	-172.9	-61.7	0	0	0	0	113	A747 S750 P835	A747-S839 WeakPolarHBondContact CA-O 3.16Å; S750-S839 WeakPolarHBondContact CB-O 3.34Å; P835-S839 VanDerWaalsContact O-CA 3.28Å; P835-S839 WeakPolarHBondContact O-CA 3.36Å; P835-S839 PolarHBondContact O-N 2.94Å
840	Q	82	Confident	83.4	Confident	65 Å²	65	29.8 Å²	29.8	30%	0.304	15%	0.154	S	C	.	.	S	Bend	trans	-138.9	148.6	-179.1	-70.6	-179.9	-5.6	0	0	110.7	K834 P835 E838	K834-Q840 CarbonylContact C-O 3.54Å; K834-Q840 VanDerWaalsContact C-O 3.29Å; P835-Q840 WeakPolarHBondContact CA-O 3.34Å; P835-Q840 VanDerWaalsContact N-O 3.15Å; E838-Q840 HydrophobicContact CB-CB 4.47Å; E838-Q840 PolarHBondContact O-N 3.18Å
841	L	82.1	Confident	83.9	Confident	10 Å²	10	31 Å²	31	5%	0.052	16%	0.159	C	C	.	.			trans	-74.5	155	172.2	-67.9	180	0	0	0	111.1	L740 L743 F751 K834 P835 L846	L740-L841 HydrophobicContact CD2-CD1 4.26Å; L740-L841 HydrophobicContact CD2-CD2 4.34Å; L743-L841 HydrophobicContact CD1-CD2 3.63Å; F751-L841 HydrophobicContact CB-CD1 4.09Å; F751-L841 HydrophobicContact CD1-CD1 3.62Å; F751-L841 HydrophobicContact CD2-CD1 3.7Å; F751-L841 HydrophobicContact CE1-CD1 3.79Å; F751-L841 HydrophobicContact CE2-CD1 3.88Å; F751-L841 HydrophobicContact CG-CD1 3.55Å; F751-L841 HydrophobicContact CG-CG 4.48Å; F751-L841 HydrophobicContact CZ-CD1 3.91Å; K834-L841 WeakPolarHBondContact CD-O 3.36Å; K834-L841 WeakPolarHBondContact CE-O 3.49Å; K834-L841 PolarHBondContact NZ-O 3.38Å; P835-L841 HydrophobicContact CG-CD2 3.98Å; L841-L846 HydrophobicContact CB-CD2 3.89Å; L841-L846 HydrophobicContact CB-CG 3.91Å; L841-L846 HydrophobicContact CD1-CD2 4.15Å
842	A	84.1	Confident	84.2	Confident	1 Å²	1	33 Å²	33	1%	0.008	16%	0.164	C	C	.	.			trans	-60.6	143.7	170	0	0	0	0	0	110.5	A831 K834 S844 Y845 L846	A831-A842 HydrophobicContact CB-CB 3.62Å; K834-A842 HydrophobicContact CD-CB 4.4Å; A842-S844 PolarHBondContact O-N 3.46Å; A842-Y845 HydrophobicContact CB-CD2 3.72Å; A842-Y845 HydrophobicContact CB-CE2 4.21Å; A842-Y845 WeakPolarHBondContact O-CB 3.27Å; A842-Y845 PolarHBondContact O-N 3.2Å; A842-L846 PolarHBondContact O-N 3.13Å
843	E	87.2	Confident	84.4	Confident	15 Å²	15	28.6 Å²	28.6	7%	0.07	15%	0.147	C	C	.	.	H	α-helix	trans	-61.8	-32	-175	-70.5	-49.7	136.8	0	0	112.9	N210 H820 S822 K834 Y845 L846 F847	N210-E843 HydrophobicContact CB-CG 3.7Å; H820-E843 WeakPolarHBondContact CA-OE2 3.21Å; H820-E843 IonicContact CE1-OE2 3.89Å; H820-E843 IonicContact CG-OE2 3.69Å; H820-E843 IonicContact ND1-OE2 2.78Å; H820-E843 PolarHBondContact ND1-OE2 3.39Å; S822-E843 WeakPolarHBondContact OG-CB 3.41Å; K834-E843 IonicContact NZ-OE1 3.97Å; K834-E843 PolarHBondContact NZ-OE1 2.86Å; E843-Y845 VanDerWaalsContact C-N 3.28Å; E843-Y845 PolarHBondContact O-N 3.09Å; E843-L846 PolarHBondContact O-N 3.24Å; E843-F847 VanDerWaalsContact O-CB 3.31Å; E843-F847 WeakPolarHBondContact O-CB 3.44Å; E843-F847 PolarHBondContact O-N 3.39Å
844	S	83.1	Confident	84.7	Confident	50 Å²	50	28.3 Å²	28.3	35%	0.35	15%	0.146	S	C	.	.	H	α-helix	trans	-61.5	-35.7	174.4	59.5	0	0	0	0	112.8	A842 N848	A842-S844 PolarHBondContact O-N 3.46Å; S844-N848 PolarHBondContact O-N 2.92Å; S844-N848 PolarHBondContact O-ND2 3.25Å
845	Y	81.9	Confident	84.7	Confident	66 Å²	66	30 Å²	30	26%	0.259	15%	0.154	S	C	.	.	H	α-helix	trans	-73.9	-43	174.3	-64.3	-49.4	0	0	0	111.3	L736 A831 A842 E843 F847 N848 A849	L736-Y845 HydrophobicContact CD1-CD1 3.9Å; L736-Y845 HydrophobicContact CD1-CD2 4.36Å; L736-Y845 HydrophobicContact CD1-CE1 3.77Å; L736-Y845 HydrophobicContact CD1-CE2 4.22Å; L736-Y845 HydrophobicContact CD1-CG 4.21Å; L736-Y845 HydrophobicContact CD2-CD1 3.78Å; L736-Y845 HydrophobicContact CD2-CE1 4.07Å; L736-Y845 HydrophobicContact CG-CE1 4.5Å; A831-Y845 HydrophobicContact CB-CE2 4.11Å; A842-Y845 HydrophobicContact CB-CD2 3.72Å; A842-Y845 HydrophobicContact CB-CE2 4.21Å; A842-Y845 WeakPolarHBondContact O-CB 3.27Å; A842-Y845 PolarHBondContact O-N 3.2Å; E843-Y845 VanDerWaalsContact C-N 3.28Å; E843-Y845 PolarHBondContact O-N 3.09Å; Y845-F847 PolarHBondContact O-N 3.36Å; Y845-N848 PolarHBondContact O-N 2.98Å; Y845-A849 VanDerWaalsContact O-CB 3.32Å; Y845-A849 WeakPolarHBondContact O-CB 3.46Å; Y845-A849 PolarHBondContact O-N 3.4Å
846	L	85.6	Confident	85	Confident	12 Å²	12	32 Å²	32	6%	0.063	16%	0.162	C	C	.	.	H	α-helix	trans	-59.3	-46.4	175.7	-68.9	176.4	0	0	0	111.2	F751 L841 A842 E843 N848 A849 T850	F751-L846 HydrophobicContact CD2-CD2 3.29Å; F751-L846 HydrophobicContact CE2-CD2 3.55Å; F751-L846 HydrophobicContact CG-CD2 4.37Å; L841-L846 HydrophobicContact CB-CD2 3.89Å; L841-L846 HydrophobicContact CB-CG 3.91Å; L841-L846 HydrophobicContact CD1-CD2 4.15Å; A842-L846 PolarHBondContact O-N 3.13Å; E843-L846 PolarHBondContact O-N 3.24Å; L846-N848 PolarHBondContact O-N 2.88Å; L846-A849 PolarHBondContact O-N 2.96Å; L846-T850 VanDerWaalsContact O-CB 3.28Å; L846-T850 WeakPolarHBondContact O-CB 3.17Å; L846-T850 PolarHBondContact O-N 2.91Å; L846-T850 PolarHBondContact O-OG1 3.41Å
847	F	90	Very high	85.5	Confident	1 Å²	1	30.4 Å²	30.4	0%	0.004	15%	0.154	C	C	.	.	H	α-helix	trans	-52.3	-53.7	176.4	-171.6	-77.8	0	0	0	111.3	Y185 A188 M817 H820 E843 Y845 W851	Y185-F847 VanDerWaalsContact CA-CZ 3.47Å; Y185-F847 AromaticContact CD2-CD1 3.93Å; Y185-F847 HydrophobicContact CD2-CD1 3.93Å; Y185-F847 AromaticContact CD2-CD2 3.79Å; Y185-F847 HydrophobicContact CD2-CD2 3.79Å; Y185-F847 AromaticContact CD2-CE1 3.93Å; Y185-F847 HydrophobicContact CD2-CE1 3.93Å; Y185-F847 AromaticContact CD2-CE2 3.79Å; Y185-F847 HydrophobicContact CD2-CE2 3.79Å; Y185-F847 AromaticContact CD2-CG 3.89Å; Y185-F847 HydrophobicContact CD2-CG 3.89Å; Y185-F847 AromaticContact CD2-CZ 3.89Å; Y185-F847 HydrophobicContact CD2-CZ 3.89Å; Y185-F847 HydrophobicContact CE2-CD2 4.07Å; Y185-F847 HydrophobicContact CE2-CE2 4.3Å; Y185-F847 HydrophobicContact CE2-CG 4.36Å; Y185-F847 HydrophobicContact CG-CE1 4.47Å; Y185-F847 HydrophobicContact CG-CZ 4.44Å; A188-F847 HydrophobicContact CB-CE2 4.07Å; A188-F847 HydrophobicContact CB-CZ 4.16Å; M817-F847 HydrophobicContact CB-CE2 3.92Å; M817-F847 HydrophobicContact CB-CZ 4.3Å; M817-F847 HydrophobicContact CE-CD1 3.57Å; M817-F847 HydrophobicContact CE-CD2 3.61Å; M817-F847 HydrophobicContact CE-CE1 3.38Å; M817-F847 HydrophobicContact CE-CE2 3.44Å; M817-F847 VanDerWaalsContact CE-CE2 3.44Å; M817-F847 HydrophobicContact CE-CG 3.66Å; M817-F847 HydrophobicContact CE-CZ 3.29Å; M817-F847 WeakPolarHBondContact CE-O 3.48Å; M817-F847 WeakPolarHBondContact O-CD2 3.34Å; M817-F847 WeakPolarHBondContact O-CE2 3.21Å; H820-F847 HydrophobicContact CB-CB 3.86Å; H820-F847 HydrophobicContact CB-CD2 3.94Å; H820-F847 HydrophobicContact CB-CG 4.39Å; E843-F847 VanDerWaalsContact O-CB 3.31Å; E843-F847 WeakPolarHBondContact O-CB 3.44Å; E843-F847 PolarHBondContact O-N 3.39Å; Y845-F847 PolarHBondContact O-N 3.36Å; F847-W851 PolarHBondContact O-N 2.97Å; F847-W851 VanDerWaalsContact O-N 3.11Å
848	N	86.1	Confident	85.9	Confident	71 Å²	71	29.2 Å²	29.2	38%	0.38	15%	0.147	S	C	.	.	H	α-helix	trans	-66.3	-44.3	-177.6	-74.6	-27.7	0	0	0	112.4	S844 Y845 L846 W851 Q852	S844-N848 PolarHBondContact O-N 2.92Å; S844-N848 PolarHBondContact O-ND2 3.25Å; Y845-N848 PolarHBondContact O-N 2.98Å; L846-N848 PolarHBondContact O-N 2.88Å; N848-W851 PolarHBondContact O-N 3.47Å; N848-Q852 VanDerWaalsContact O-CG 3.32Å; N848-Q852 WeakPolarHBondContact O-CG 3.27Å; N848-Q852 PolarHBondContact O-N 2.71Å; N848-Q852 VanDerWaalsContact O-N 3.13Å
849	A	82.8	Confident	86.3	Confident	5 Å²	5	32.5 Å²	32.5	4%	0.041	16%	0.156	C	C	.	.	H	α-helix	trans	-67.4	-40.6	-178.7	0	0	0	0	0	112	F751 Y845 L846 W851 Q852 H853	F751-A849 HydrophobicContact CE2-CB 3.81Å; F751-A849 HydrophobicContact CZ-CB 3.45Å; F751-A849 VanDerWaalsContact CZ-CB 3.45Å; Y845-A849 VanDerWaalsContact O-CB 3.32Å; Y845-A849 WeakPolarHBondContact O-CB 3.46Å; Y845-A849 PolarHBondContact O-N 3.4Å; L846-A849 PolarHBondContact O-N 2.96Å; A849-W851 PolarHBondContact O-N 3.14Å; A849-Q852 PolarHBondContact O-N 3.23Å; A849-H853 WeakPolarHBondContact O-CB 3.39Å; A849-H853 PolarHBondContact O-CD2 3.39Å; A849-H853 PolarHBondContact O-N 3.46Å
850	T	87.8	Confident	86.7	Confident	0 Å²	0	31 Å²	31	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-61.5	-46.3	176	-60.2	0	0	0	0	111	L755 Y816 M817 L846 Q852 H853 I854 L857	L755-T850 HydrophobicContact CD2-CG2 4.37Å; L755-T850 WeakPolarHBondContact CD2-OG1 3.25Å; Y816-T850 HydrophobicContact CD1-CG2 4.05Å; Y816-T850 HydrophobicContact CE1-CG2 3.23Å; M817-T850 HydrophobicContact SD-CG2 4.39Å; L846-T850 VanDerWaalsContact O-CB 3.28Å; L846-T850 WeakPolarHBondContact O-CB 3.17Å; L846-T850 PolarHBondContact O-N 2.91Å; L846-T850 PolarHBondContact O-OG1 3.41Å; T850-Q852 VanDerWaalsContact C-N 3.26Å; T850-Q852 PolarHBondContact O-N 2.98Å; T850-H853 PolarHBondContact O-N 2.82Å; T850-I854 HydrophobicContact CG2-CB 4.5Å; T850-I854 HydrophobicContact CG2-CD1 3.46Å; T850-I854 VanDerWaalsContact CG2-CD1 3.46Å; T850-I854 HydrophobicContact CG2-CG1 3.98Å; T850-I854 WeakPolarHBondContact O-CB 3.39Å; T850-I854 WeakPolarHBondContact O-CG1 3.34Å; T850-I854 PolarHBondContact O-N 3.18Å; T850-L857 HydrophobicContact CG2-CD1 3.42Å; T850-L857 VanDerWaalsContact CG2-CD1 3.42Å
851	W	89.1	Confident	87	Confident	32 Å²	32	28.4 Å²	28.4	12%	0.121	13%	0.134	C	C	.	.	H	α-helix	trans	-58.9	-37.7	177.7	-171.9	-99.5	0	0	0	112.9	P180 T184 W187 T813 M817 F847 N848 A849 L857 P858 C863	P180-W851 VanDerWaalsContact O-CZ2 3.31Å; P180-W851 WeakPolarHBondContact O-CZ2 3.43Å; T184-W851 HydrophobicContact CG2-CD2 3.91Å; T184-W851 VanDerWaalsContact CG2-CE2 3.4Å; T184-W851 HydrophobicContact CG2-CG 4.29Å; T184-W851 HydrophobicContact CG2-CH2 4.29Å; T184-W851 HydrophobicContact CG2-CZ2 3.63Å; W187-W851 HydrophobicContact CZ3-CZ3 4.45Å; T813-W851 HydrophobicContact CG2-CH2 4.41Å; T813-W851 HydrophobicContact CG2-CZ3 3.72Å; M817-W851 HydrophobicContact CE-CB 4.02Å; M817-W851 HydrophobicContact CE-CE3 3.95Å; M817-W851 HydrophobicContact CG-CE3 4.11Å; M817-W851 HydrophobicContact CG-CZ3 4.26Å; M817-W851 HydrophobicContact SD-CE3 3.9Å; F847-W851 PolarHBondContact O-N 2.97Å; F847-W851 VanDerWaalsContact O-N 3.11Å; N848-W851 PolarHBondContact O-N 3.47Å; A849-W851 PolarHBondContact O-N 3.14Å; W851-L857 HydrophobicContact CE3-CB 4.05Å; W851-L857 HydrophobicContact CZ3-CB 4.16Å; W851-P858 HydrophobicContact CZ2-CB 3.94Å; W851-C863 HydrophobicContact CZ2-CB 4.48Å
852	Q	85.1	Confident	87.4	Confident	68 Å²	68	34.5 Å²	34.5	32%	0.318	17%	0.167	S	C	.	.	H	α-helix	trans	-77.1	-44.7	-178.6	-71.7	179.5	0.4	0	0	113.5	N848 A849 T850	N848-Q852 VanDerWaalsContact O-CG 3.32Å; N848-Q852 WeakPolarHBondContact O-CG 3.27Å; N848-Q852 PolarHBondContact O-N 2.71Å; N848-Q852 VanDerWaalsContact O-N 3.13Å; A849-Q852 PolarHBondContact O-N 3.23Å; T850-Q852 VanDerWaalsContact C-N 3.26Å; T850-Q852 PolarHBondContact O-N 2.98Å
853	H	82.4	Confident	87.7	Confident	8 Å²	8	35.1 Å²	35.1	4%	0.037	17%	0.171	C	C	.	.	H	α-helix	trans	-89.4	-23.3	-169.8	-68.7	-57.4	0	0	0	113.6	C727 L728 A849 T850 Q855 L873	C727-H853 PolarHBondContact O-CE1 3.26Å; L728-H853 PolarHBondContact O-NE2 3.35Å; A849-H853 WeakPolarHBondContact O-CB 3.39Å; A849-H853 PolarHBondContact O-CD2 3.39Å; A849-H853 PolarHBondContact O-N 3.46Å; T850-H853 PolarHBondContact O-N 2.82Å; H853-Q855 PolarHBondContact O-N 3Å; H853-L873 HydrophobicContact CB-CD1 4.27Å
854	I	87.4	Confident	87.7	Confident	2 Å²	2	39.4 Å²	39.4	1%	0.01	21%	0.209	C	C	.	.			trans	-97.8	83.2	177.7	-49.3	-170.5	0	0	0	109.4	L755 A758 R759 T850 F856 L857 P858	L755-I854 HydrophobicContact CD2-CD1 4.24Å; L755-I854 HydrophobicContact CD2-CG1 4.31Å; L755-I854 WeakPolarHBondContact O-CD1 3.38Å; A758-I854 HydrophobicContact CB-CD1 3.42Å; A758-I854 VanDerWaalsContact CB-CD1 3.42Å; R759-I854 HydrophobicContact CB-CD1 4.46Å; R759-I854 HydrophobicContact CB-CG2 4.25Å; T850-I854 HydrophobicContact CG2-CB 4.5Å; T850-I854 HydrophobicContact CG2-CD1 3.46Å; T850-I854 VanDerWaalsContact CG2-CD1 3.46Å; T850-I854 HydrophobicContact CG2-CG1 3.98Å; T850-I854 WeakPolarHBondContact O-CB 3.39Å; T850-I854 WeakPolarHBondContact O-CG1 3.34Å; T850-I854 PolarHBondContact O-N 3.18Å; I854-F856 HydrophobicContact CG2-CB 4.26Å; I854-F856 PolarHBondContact O-N 2.86Å; I854-L857 HydrophobicContact CB-CD1 3.84Å; I854-L857 HydrophobicContact CB-CG 4.04Å; I854-L857 HydrophobicContact CD1-CD1 4.45Å; I854-L857 HydrophobicContact CG2-CD1 4.18Å; I854-L857 HydrophobicContact CG2-CG 3.92Å; I854-L857 PolarHBondContact O-N 3.29Å; I854-P858 VanDerWaalsContact O-CD 3.3Å; I854-P858 WeakPolarHBondContact O-CD 3.46Å
855	Q	86.6	Confident	87.6	Confident	37 Å²	37	38.5 Å²	38.5	17%	0.173	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.7	-22.9	-176.8	-65.7	-175.9	-2.3	0	0	115.1	H853 L857 R859 A865 A866 A868	H853-Q855 PolarHBondContact O-N 3Å; Q855-L857 VanDerWaalsContact C-N 3.31Å; Q855-L857 PolarHBondContact O-N 2.99Å; Q855-R859 WeakPolarHBondContact O-CB 3.4Å; Q855-R859 WeakPolarHBondContact O-CG 3.25Å; Q855-R859 PolarHBondContact O-N 3.37Å; Q855-A865 HydrophobicContact CB-CB 4.43Å; Q855-A866 PolarHBondContact NE2-O 3.12Å; Q855-A866 VanDerWaalsContact NE2-O 3.08Å; Q855-A868 PolarHBondContact NE2-O 2.79Å
856	F	89.3	Confident	87.1	Confident	48 Å²	48	38.4 Å²	38.4	21%	0.211	22%	0.217	C	C	.	.	H	α-helix	trans	-59.7	-39.2	174.5	174.8	-90.8	0	0	0	112.5	A762 N809 F812 I854 R859 S860	A762-F856 HydrophobicContact CB-CB 4.37Å; A762-F856 HydrophobicContact CB-CD1 3.47Å; A762-F856 VanDerWaalsContact CB-CD1 3.47Å; A762-F856 HydrophobicContact CB-CD2 4.26Å; A762-F856 HydrophobicContact CB-CE1 3.68Å; A762-F856 HydrophobicContact CB-CE2 4.42Å; A762-F856 HydrophobicContact CB-CG 3.77Å; A762-F856 HydrophobicContact CB-CZ 4.15Å; N809-F856 HydrophobicContact CB-CE1 4.47Å; N809-F856 HydrophobicContact CB-CE2 4.39Å; N809-F856 HydrophobicContact CB-CZ 3.75Å; F812-F856 HydrophobicContact CD1-CD1 4.33Å; F812-F856 AromaticContact CD1-CE1 3.66Å; F812-F856 HydrophobicContact CD1-CE1 3.66Å; F812-F856 HydrophobicContact CE1-CD1 4.42Å; F812-F856 HydrophobicContact CE1-CE1 4.13Å; F812-F856 HydrophobicContact CG-CE1 4.4Å; I854-F856 HydrophobicContact CG2-CB 4.26Å; I854-F856 PolarHBondContact O-N 2.86Å; F856-R859 PolarHBondContact O-N 2.81Å; F856-S860 WeakPolarHBondContact O-CB 3.11Å; F856-S860 PolarHBondContact O-N 3.15Å; F856-S860 PolarHBondContact O-OG 2.76Å
857	L	92.2	Very high	86	Confident	1 Å²	1	46.3 Å²	46.3	1%	0.005	25%	0.254	C	S	.	.	H	α-helix	trans	-66.1	-51.1	-174.1	-57.6	176	0	0	0	113.4	F812 T813 Y816 M817 T850 W851 I854 Q855 S860 T861	F812-L857 HydrophobicContact CD1-CD2 4.27Å; F812-L857 HydrophobicContact CE1-CD2 4.06Å; T813-L857 HydrophobicContact CG2-CB 3.94Å; T813-L857 HydrophobicContact CG2-CD2 3.93Å; Y816-L857 HydrophobicContact CD1-CD1 4.27Å; M817-L857 HydrophobicContact SD-CD1 3.8Å; T850-L857 HydrophobicContact CG2-CD1 3.42Å; T850-L857 VanDerWaalsContact CG2-CD1 3.42Å; W851-L857 HydrophobicContact CE3-CB 4.05Å; W851-L857 HydrophobicContact CZ3-CB 4.16Å; I854-L857 HydrophobicContact CB-CD1 3.84Å; I854-L857 HydrophobicContact CB-CG 4.04Å; I854-L857 HydrophobicContact CD1-CD1 4.45Å; I854-L857 HydrophobicContact CG2-CD1 4.18Å; I854-L857 HydrophobicContact CG2-CG 3.92Å; I854-L857 PolarHBondContact O-N 3.29Å; Q855-L857 VanDerWaalsContact C-N 3.31Å; Q855-L857 PolarHBondContact O-N 2.99Å; L857-S860 PolarHBondContact O-OG 2.99Å; L857-T861 PolarHBondContact O-OG1 3.43Å
858	P	92.4	Very high	84.5	Confident	4 Å²	4	48 Å²	48	3%	0.026	27%	0.268	C	S	.	.	H	α-helix	trans	-66.9	-36	173	23.3	-32.6	0	0	0	112	W851 I854 S860 T861 N862 C863 A865	W851-P858 HydrophobicContact CZ2-CB 3.94Å; I854-P858 VanDerWaalsContact O-CD 3.3Å; I854-P858 WeakPolarHBondContact O-CD 3.46Å; P858-S860 PolarHBondContact O-N 3.4Å; P858-T861 PolarHBondContact O-N 3.47Å; P858-T861 PolarHBondContact O-OG1 3.02Å; P858-N862 PolarHBondContact O-N 3.49Å; P858-C863 HydrophobicContact CB-CB 3.9Å; P858-C863 WeakPolarHBondContact O-CA 2.93Å; P858-C863 VanDerWaalsContact O-CB 3.28Å; P858-C863 WeakPolarHBondContact O-CB 3.48Å; P858-C863 PolarHBondContact O-N 2.98Å; P858-A865 HydrophobicContact CB-CB 4.27Å; P858-A865 HydrophobicContact CG-CB 3.69Å
859	R	91.4	Very high	83.3	Confident	144 Å²	144	48.8 Å²	48.8	54%	0.543	28%	0.276	S	S	.	.	H	α-helix	trans	-67.9	-36.3	-179	-74	-179.8	-178.6	158.3	9.7	113.1	Q855 F856 T861 N862 A865	Q855-R859 WeakPolarHBondContact O-CB 3.4Å; Q855-R859 WeakPolarHBondContact O-CG 3.25Å; Q855-R859 PolarHBondContact O-N 3.37Å; F856-R859 PolarHBondContact O-N 2.81Å; R859-T861 PolarHBondContact O-N 2.8Å; R859-N862 PolarHBondContact O-N 3.13Å; R859-A865 HydrophobicContact CG-CB 3.95Å
860	S	91.2	Very high	82.7	Confident	12 Å²	12	48.7 Å²	48.7	8%	0.084	28%	0.275	C	S	.	.	H	α-helix	trans	-63	-28.1	178.9	67	0	0	0	0	112.5	E810 T813 F856 L857 P858	E810-S860 WeakPolarHBondContact CG-O 3.35Å; T813-S860 PolarHBondContact OG1-OG 2.71Å; F856-S860 WeakPolarHBondContact O-CB 3.11Å; F856-S860 PolarHBondContact O-N 3.15Å; F856-S860 PolarHBondContact O-OG 2.76Å; L857-S860 PolarHBondContact O-OG 2.99Å; P858-S860 PolarHBondContact O-N 3.4Å
861	T	89.9	Confident	81.5	Confident	9 Å²	9	54 Å²	54	6%	0.055	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.6	13.5	-179.1	51.3	0	0	0	0	113	P180 W187 E810 T813 L857 P858 R859 C863	P180-T861 HydrophobicContact CB-CG2 4.23Å; W187-T861 HydrophobicContact CH2-CG2 4Å; W187-T861 HydrophobicContact CZ2-CG2 4.19Å; E810-T861 HydrophobicContact CG-CG2 4.33Å; T813-T861 HydrophobicContact CG2-CG2 4.07Å; L857-T861 PolarHBondContact O-OG1 3.43Å; P858-T861 PolarHBondContact O-N 3.47Å; P858-T861 PolarHBondContact O-OG1 3.02Å; R859-T861 PolarHBondContact O-N 2.8Å; T861-C863 PolarHBondContact O-N 3.49Å; T861-C863 PolarHBondContact OG1-SG 3.43Å
862	N	89.5	Confident	80.6	Confident	139 Å²	139	53.3 Å²	53.3	74%	0.743	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.5	25.3	-176.8	-57.1	-61.5	0	0	0	114.7	P858 R859	P858-N862 PolarHBondContact O-N 3.49Å; R859-N862 PolarHBondContact O-N 3.13Å
863	C	90.8	Very high	80.1	Confident	13 Å²	13	50.4 Å²	50.4	9%	0.088	30%	0.297	C	S	.	.			trans	-87.5	152.6	173.5	-53.1	0	0	0	0	111.4	C181 W851 P858 T861 A865	C181-C863 WeakPolarHBondContact CA-SG 3.26Å; C181-C863 HydrophobicContact CB-CB 3.76Å; C181-C863 WeakPolarHBondContact CB-SG 3.38Å; C181-C863 WeakPolarHBondContact SG-CA 3.32Å; C181-C863 WeakPolarHBondContact SG-CB 3.34Å; C181-C863 CovalentContact SG-SG 2.03Å; C181-C863 PolarHBondContact SG-SG 3.43Å; W851-C863 HydrophobicContact CZ2-CB 4.48Å; P858-C863 HydrophobicContact CB-CB 3.9Å; P858-C863 WeakPolarHBondContact O-CA 2.93Å; P858-C863 VanDerWaalsContact O-CB 3.28Å; P858-C863 WeakPolarHBondContact O-CB 3.48Å; P858-C863 PolarHBondContact O-N 2.98Å; T861-C863 PolarHBondContact O-N 3.49Å; T861-C863 PolarHBondContact OG1-SG 3.43Å; C863-A865 PolarHBondContact O-N 2.94Å
864	A	87.1	Confident	79.8	Confident	106 Å²	106	50.4 Å²	50.4	88%	0.876	30%	0.297	S	S	*	.			trans	-64.7	134.8	169.3	0	0	0	0	0	109.7
865	A	81.6	Confident	79.4	Confident	30 Å²	30	52.9 Å²	52.9	25%	0.248	31%	0.311	C	S	.	.			trans	-110.8	135	177.3	0	0	0	0	0	109.6	Q855 P858 R859 C863	Q855-A865 HydrophobicContact CB-CB 4.43Å; P858-A865 HydrophobicContact CB-CB 4.27Å; P858-A865 HydrophobicContact CG-CB 3.69Å; R859-A865 HydrophobicContact CG-CB 3.95Å; C863-A865 PolarHBondContact O-N 2.94Å
866	A	69.9	Low	79	Confident	64 Å²	64	53.7 Å²	53.7	53%	0.529	32%	0.319	S	S	.	.			trans	-65.5	148.1	173	0	0	0	0	0	110.8	Q855 A868	Q855-A866 PolarHBondContact NE2-O 3.12Å; Q855-A866 VanDerWaalsContact NE2-O 3.08Å; A866-A868 PolarHBondContact O-N 2.91Å
867	E	64.3	Low	78.4	Confident	178 Å²	178	54 Å²	54	83%	0.832	33%	0.325	S	S	*	.			trans	-73.9	-1	176.6	-72.1	-171.8	166	0	0	113.7	T869	E867-T869 PolarHBondContact O-N 3.39Å; E867-T869 VanDerWaalsContact O-N 3.08Å
868	A	58.5	Low	77.6	Confident	37 Å²	37	57.1 Å²	57.1	31%	0.306	34%	0.344	S	S	.	.			trans	-55.2	119.8	177.1	0	0	0	0	0	109.5	Q855 A866	Q855-A868 PolarHBondContact NE2-O 2.79Å; A866-A868 PolarHBondContact O-N 2.91Å
869	T	60.9	Low	76.7	Confident	88 Å²	88	60.4 Å²	60.4	54%	0.54	36%	0.363	S	S	.	.			trans	-126.5	110.3	176.9	46.1	0	0	0	0	107.9	E867 S871	E867-T869 PolarHBondContact O-N 3.39Å; E867-T869 VanDerWaalsContact O-N 3.08Å; T869-S871 PolarHBondContact O-N 3.11Å; T869-S871 VanDerWaalsContact O-N 3.11Å
870	C	70.1	Confident	75.7	Confident	3 Å²	3	54.9 Å²	54.9	2%	0.02	35%	0.351	C	S	.	.			trans	-72.2	105.8	165.1	-60.9	0	0	0	0	107.8	C727 N872 L873	C727-C870 HydrophobicContact CB-CB 3.97Å; C727-C870 WeakPolarHBondContact CB-SG 2.86Å; C727-C870 WeakPolarHBondContact SG-CA 3.36Å; C727-C870 WeakPolarHBondContact SG-CB 3.33Å; C727-C870 PolarHBondContact SG-N 3.29Å; C727-C870 CovalentContact SG-SG 2.03Å; C727-C870 PolarHBondContact SG-SG 3.17Å; C870-N872 PolarHBondContact O-N 3.15Å; C870-N872 VanDerWaalsContact O-N 3.09Å; C870-L873 HydrophobicContact CB-CB 4.45Å; C870-L873 HydrophobicContact CB-CD1 3.68Å; C870-L873 HydrophobicContact CB-CG 3.7Å; C870-L873 PolarHBondContact O-N 2.81Å; C870-L873 VanDerWaalsContact O-N 3.17Å
871	S	62	Low	74.6	Confident	110 Å²	110	57.9 Å²	57.9	77%	0.769	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.8	-14	-175.5	51.1	0	0	0	0	113.7	T869	T869-S871 PolarHBondContact O-N 3.11Å; T869-S871 VanDerWaalsContact O-N 3.11Å
872	N	69.9	Low	73.5	Confident	18 Å²	18	61.7 Å²	61.7	10%	0.096	40%	0.395	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101	-3.1	179.4	60	-15.8	0	0	0	114.6	A721 Q722 D724 H752 C870	A721-N872 HydrophobicContact CB-CB 4.11Å; Q722-N872 PolarHBondContact O-ND2 2.86Å; D724-N872 PolarHBondContact N-ND2 3.41Å; H752-N872 PolarHBondContact CE1-O 3.21Å; H752-N872 PolarHBondContact NE2-O 3.32Å; C870-N872 PolarHBondContact O-N 3.15Å; C870-N872 VanDerWaalsContact O-N 3.09Å
873	L	74	Confident	72.1	Confident	8 Å²	8	55.3 Å²	55.3	4%	0.042	37%	0.366	C	S	.	.			trans	-77	131.3	168.6	-67.3	176.4	0	0	0	109.6	L755 S756 R759 H853 C870	L755-L873 HydrophobicContact CB-CD1 4.15Å; L755-L873 HydrophobicContact CB-CD2 3.62Å; L755-L873 HydrophobicContact CD1-CD1 4.27Å; L755-L873 HydrophobicContact CD1-CD2 4.26Å; S756-L873 WeakPolarHBondContact OG-CD2 3.43Å; R759-L873 PolarHBondContact NH1-O 2.94Å; H853-L873 HydrophobicContact CB-CD1 4.27Å; C870-L873 HydrophobicContact CB-CB 4.45Å; C870-L873 HydrophobicContact CB-CD1 3.68Å; C870-L873 HydrophobicContact CB-CG 3.7Å; C870-L873 PolarHBondContact O-N 2.81Å; C870-L873 VanDerWaalsContact O-N 3.17Å
874	L	76.3	Confident	70.4	Confident	8 Å²	8	59.1 Å²	59.1	4%	0.042	39%	0.391	C	S	.	.			trans	-67.3	0	179.4	-67.3	169	0	0	0	112.4	L554 S557 L558 A561 W563 F697 S756 R759 R763	L554-L874 HydrophobicContact CD1-CD1 4.32Å; S557-L874 WeakPolarHBondContact CB-OXT 3.29Å; L558-L874 HydrophobicContact CD2-CD1 4.44Å; L558-L874 HydrophobicContact CD2-CD2 4.13Å; A561-L874 HydrophobicContact CB-CD2 3.86Å; W563-L874 HydrophobicContact CZ2-CD2 4.25Å; F697-L874 HydrophobicContact CD2-CD1 4.3Å; F697-L874 HydrophobicContact CE2-CD1 3.66Å; S756-L874 PolarHBondContact OG-N 2.69Å; R759-L874 VanDerWaalsContact CD-O 3.25Å; R759-L874 WeakPolarHBondContact CD-O 3.08Å; R759-L874 WeakPolarHBondContact CG-O 3.22Å; R763-L874 PolarHBondContact NH1-OXT 3.41Å

Retrieved 874 of 874 residues in 1216.7 ms (Link to these results)

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