A0A087YJ41_POEFO Loading...

PAX3 and PAX7 binding protein 1

AlphaFold DB , UniProt , Accession A0A087YJ41, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 909 aa.

						>A0A087YJ41_POEFO|A0A087YJ41
MFKRAKRANLRRRNDSDEDELEESQPQSFAPTSFGPVVEIPFIETSGAPSSEENCFNNGFLSNLNIMRPVKKEKKCKEVPVVVPPTKASLLSFDDDEEGSEVFRVKKPNHSKKIVKQLKKEYKEDLQKSGNVKQETKSDAPPQPVFTVKEEAISRGNSEHGEEEMEVESGDEQNEEAKAQEGQLSRGRNVGSSFNTLSSLTSLKPGEIPDAAFIHAARKRRQLARELGGEAPLVEAEPSKKRMTQEDRDCSDDEDEDEKRIRFSGVKNKSQRQKIAEEIGIEGSDDEALDTGQDEEVSRWEQEQIRKGISIPQVQSSQPEDSTAYYQNSYETQPYGSSYSMPFTYSSVAPQPGKIPSLSDNGSVRYGAPICDLTPVSIDLVKKRLQDRLDQMHAGHNANIKRYEQIRDELEASESTIQQLEGSSNDNADRYKFLQEMRGYVGDLLECFSEKVPAVLELEAAMHQLLRQRAARLVQRRQDDIKDESSEFASLSNKAVMAPSLDSFGRDRAAYQENSRQRRIAEREARRTRRRQAREQNGKRAEHKEGLSSDDEETSTDITSFNMERDRIKAESKKVFEDVVEDFHSLDCIKSRFEVWKREYPDCYRDAYIGLCLPKLFNPLVRLQLITWNPLEEPCANFEYMLWFESLLFYGFEEHRTLEKDDGDIGLLPAIVEKVLLSKLSVLAEQVWDPLSSSQTTRLVSFIHRLAEGYPTVLHGDNQYTQELLKSIVLRTRRTLDEDVFLPLYPKNVMDNKNSGAYLFYQRQFWSCVKLLGNIIQWDGILSYSCLKDLALDSTLNRYILSALQSTDIGEENVHKCQKVMECLPAQWFSGLKGQHTLPQLEPLCRYLTHLANTLHRSSVGASDTERRTTREQVREVVRMLGRVNALDHIIAVAEEHGVKDIKQLMEVK
					

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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	36.2	Very low	35.1	Very low	245 Å²	245	180.7 Å²	180.7	100%	1.207	85%	0.851	S	S	*	*				0	147.8	0	-71.3	176.6	173.3	0	0	109.1
2	F	33.4	Very low	35.1	Very low	182 Å²	182	182 Å²	182	80%	0.798	84%	0.841	S	S	*	*			trans	-78.3	146.9	173	-78.4	-92	0	0	0	111.8
3	K	43.4	Very low	34.8	Very low	214 Å²	214	186 Å²	186	93%	0.93	85%	0.845	S	S	*	*			trans	-143	141	133.7	-103.9	172.7	-174.8	178.9	0	108.9
4	R	36.4	Very low	34.7	Very low	228 Å²	228	179.1 Å²	179.1	86%	0.86	82%	0.818	S	S	*	*			trans	-118.1	172.1	-173.9	-95.2	177.6	162.1	177.6	-4.6	109.6
5	A	37	Very low	34.5	Very low	87 Å²	87	175.5 Å²	175.5	72%	0.719	81%	0.809	S	S	*	*			trans	102.8	146.8	153.3	0	0	0	0	0	117
6	K	38.5	Very low	34.4	Very low	192 Å²	192	170.4 Å²	170.4	84%	0.835	80%	0.799	S	S	*	*			cis	-161.5	135.5	-15.1	-113.4	171.7	-173.9	178.8	0	111.3
7	R	34.1	Very low	34.3	Very low	231 Å²	231	168.5 Å²	168.5	87%	0.872	80%	0.795	S	S	*	*			trans	14.1	129.6	133.2	-63.1	178.9	170.4	-174.4	-4.7	121.3
8	A	29.8	Very low	34.3	Very low	93 Å²	93	168.6 Å²	168.6	77%	0.769	80%	0.795	S	S	*	*				-167.2	146.4	118	0	0	0	0	0	109.2
9	N	31.6	Very low	34.3	Very low	142 Å²	142	168.3 Å²	168.3	76%	0.759	80%	0.799	S	S	*	*			cis	78.7	136.2	31.4	-74.1	10.7	0	0	0	114.2
10	L	31.6	Very low	34.4	Very low	134 Å²	134	169 Å²	169	70%	0.702	80%	0.802	S	S	*	*			cis	-169.1	149.5	-3.3	-168.9	77.2	0	0	0	111.5
11	R	33.8	Very low	34.2	Very low	240 Å²	240	168.9 Å²	168.9	91%	0.906	81%	0.805	S	S	*	*			trans	160.5	125	148.6	-95.7	168.3	176.7	178	-1	108.8
12	R	35.8	Very low	34	Very low	196 Å²	196	165.4 Å²	165.4	74%	0.74	79%	0.786	S	S	*	*			cis	83	98	4.6	-148.2	-174.9	-159.4	-143.7	5.1	119	N14	R12-N14 PolarHBondContact NE-OD1 2.7Å
13	R	31.3	Very low	33.9	Very low	234 Å²	234	165.4 Å²	165.4	88%	0.883	79%	0.788	S	S	*	*				-151.3	135.7	126.9	-115	172.1	171.4	157.2	-2.6	107.1
14	N	32.9	Very low	33.2	Very low	89 Å²	89	160.8 Å²	160.8	48%	0.476	78%	0.783	S	S	.	*			cis	67.3	131.5	44.4	-82.4	87.3	0	0	0	111.4	R12	R12-N14 PolarHBondContact NE-OD1 2.7Å
15	D	31.1	Very low	32.9	Very low	126 Å²	126	158.8 Å²	158.8	67%	0.674	78%	0.784	S	S	*	*			cis	-137.5	147.5	22.1	-73.9	-62.5	0	0	0	110.8
16	S	34	Very low	33.3	Very low	93 Å²	93	159.4 Å²	159.4	65%	0.65	78%	0.78	S	S	*	*				73.7	145.4	83	-118.5	0	0	0	0	113.3
17	D	31.9	Very low	32.8	Very low	138 Å²	138	158.5 Å²	158.5	74%	0.738	78%	0.779	S	S	*	*			cis	-141.7	-176.2	21.4	-75.8	-58.4	0	0	0	114.9
18	E	35.3	Very low	32.5	Very low	171 Å²	171	151.4 Å²	151.4	80%	0.799	77%	0.765	S	S	*	*			trans	-46.9	166.7	175.4	-60.3	164.8	156	0	0	115.5
19	D	34.4	Very low	32.4	Very low	163 Å²	163	156.7 Å²	156.7	87%	0.872	77%	0.771	S	S	*	*				-147.9	171.5	53.6	-88.9	-47.4	0	0	0	115.5
20	E	35.4	Very low	32.2	Very low	182 Å²	182	154.1 Å²	154.1	85%	0.85	77%	0.769	S	S	*	*			trans	-86.7	156.5	175.2	-55.7	-179.8	128.6	0	0	113.8
21	L	31.3	Very low	32.8	Very low	166 Å²	166	152.9 Å²	152.9	87%	0.869	77%	0.769	S	S	*	*				-175.9	178	128.4	-101	165.7	0	0	0	113.2
22	E	31.8	Very low	32.5	Very low	172 Å²	172	147 Å²	147	80%	0.804	76%	0.76	S	S	*	*			trans	-98.5	173.1	-153.4	-63.5	176.1	108.3	0	0	117.6
23	E	30.8	Very low	32.2	Very low	182 Å²	182	142 Å²	142	85%	0.85	76%	0.755	S	S	*	*			trans	93.8	146.9	142.4	-101	-166.7	162.8	0	0	123.7
24	S	29.4	Very low	32	Very low	117 Å²	117	141 Å²	141	82%	0.818	76%	0.758	S	S	*	*			trans	80.6	123.4	159.6	73.5	0	0	0	0	121.8
25	Q	29.6	Very low	31.6	Very low	187 Å²	187	140 Å²	140	87%	0.874	77%	0.768	S	S	*	*			trans	-88.9	175	156	-107.8	-176.5	13.6	0	0	109.3
26	P	44	Very low	32.4	Very low	100 Å²	100	139.7 Å²	139.7	65%	0.649	77%	0.773	S	S	*	*			cis	-137.9	-159.2	-10.2	35.4	-12.9	0	0	0	113.8
27	Q	29	Very low	32.1	Very low	172 Å²	172	141 Å²	141	80%	0.804	78%	0.777	S	S	*	*			trans	86.9	115.6	150	-83	177.7	-17.6	0	0	121.9
28	S	28	Very low	31.9	Very low	83 Å²	83	141.5 Å²	141.5	58%	0.58	78%	0.784	S	S	*	*			trans	26.9	131.7	137.8	58.2	0	0	0	0	121.5
29	F	26.9	Very low	31.6	Very low	204 Å²	204	140.6 Å²	140.6	90%	0.895	78%	0.78	S	S	*	*				-170.1	159.4	99.4	-94.3	-66.1	0	0	0	112
30	A	28.6	Very low	31.3	Very low	87 Å²	87	139.8 Å²	139.8	72%	0.719	77%	0.774	S	S	*	*			trans	-96.9	-174.5	165	0	0	0	0	0	108.6
31	P	43.7	Very low	31.7	Very low	109 Å²	109	136.3 Å²	136.3	71%	0.708	77%	0.768	S	S	*	*			cis	-145.6	-151.6	15.5	41.4	-17.3	0	0	0	114.8
32	T	27.3	Very low	31.5	Very low	117 Å²	117	136.3 Å²	136.3	72%	0.718	76%	0.761	S	S	*	*			trans	63.3	117.3	160.9	48.9	0	0	0	0	117.8
33	S	30.1	Very low	31.3	Very low	90 Å²	90	135.8 Å²	135.8	63%	0.629	76%	0.762	S	S	*	*			cis	91.6	116.2	42.2	74.2	0	0	0	0	114.7
34	F	27.2	Very low	31.1	Very low	213 Å²	213	134.3 Å²	134.3	93%	0.934	76%	0.755	S	S	*	*			trans	168.9	154.5	138.5	-95.4	-66.9	0	0	0	110.2
35	G	24.8	Very low	30.9	Very low	67 Å²	67	135.7 Å²	135.7	69%	0.691	76%	0.759	S	S	*	*			trans	-95.6	-143	177.5	0	0	0	0	0	113
36	P	46.3	Very low	30.8	Very low	121 Å²	121	132.7 Å²	132.7	79%	0.786	76%	0.758	S	S	*	*			cis	-143.2	177.5	5.1	43.4	-24.7	0	0	0	117.5
37	V	28.1	Very low	29.9	Very low	121 Å²	121	131.9 Å²	131.9	73%	0.733	77%	0.768	S	S	*	*			trans	47.5	128.9	142.6	170.5	0	0	0	0	122.5
38	V	28.9	Very low	29.7	Very low	147 Å²	147	128.3 Å²	128.3	89%	0.891	77%	0.769	S	S	*	*				-152.1	154.6	129.5	165.8	0	0	0	0	108.5
39	E	27.3	Very low	30.5	Very low	152 Å²	152	130.1 Å²	130.1	71%	0.71	78%	0.778	S	S	*	*			trans	-120.9	151.1	-167.7	-54.7	172.5	98.5	0	0	115.5
40	I	29.6	Very low	30.4	Very low	146 Å²	146	125.6 Å²	125.6	75%	0.749	77%	0.772	S	S	*	*			trans	65.6	169.2	137.8	-71.6	169.7	0	0	0	116
41	P	43.7	Very low	30.4	Very low	110 Å²	110	126.7 Å²	126.7	71%	0.714	77%	0.774	S	S	*	*			cis	-125	155	-2.3	14.8	11.4	0	0	0	119.5
42	F	25.8	Very low	29.5	Very low	166 Å²	166	130.3 Å²	130.3	73%	0.728	78%	0.782	S	S	*	*				53.6	128.3	119.9	-141.5	-94.7	0	0	0	123.7	E44	F42-E44 HydrophobicContact CE1-CG 3.75Å; F42-E44 HydrophobicContact CZ-CG 3.82Å
43	I	27.9	Very low	29.4	Very low	161 Å²	161	134.5 Å²	134.5	83%	0.826	79%	0.793	S	S	*	*			trans	-159.1	145.7	131.2	-121.6	171.7	0	0	0	112.1
44	E	26.2	Very low	29.2	Very low	150 Å²	150	136.9 Å²	136.9	70%	0.701	80%	0.799	S	S	*	*			trans	-105	156.3	173.6	-62.8	170.4	111.3	0	0	111.3	F42	F42-E44 HydrophobicContact CE1-CG 3.75Å; F42-E44 HydrophobicContact CZ-CG 3.82Å
45	T	26.1	Very low	29	Very low	147 Å²	147	133 Å²	133	90%	0.902	80%	0.796	S	S	*	*			trans	-162.6	150	144.6	-5.3	0	0	0	0	111.6
46	S	28.1	Very low	29	Very low	123 Å²	123	138.4 Å²	138.4	86%	0.86	80%	0.802	S	S	*	*			trans	-109.2	158.3	-175.8	49.6	0	0	0	0	112.4
47	G	24.4	Very low	28	Very low	83 Å²	83	140.2 Å²	140.2	86%	0.856	81%	0.805	S	S	*	*			trans	-172.8	118.3	178.8	0	0	0	0	0	115.7
48	A	25.2	Very low	27.9	Very low	98 Å²	98	141.5 Å²	141.5	81%	0.81	81%	0.807	S	S	*	*			trans	-152.7	172.9	165.9	0	0	0	0	0	107
49	P	44.1	Very low	27.7	Very low	120 Å²	120	137.7 Å²	137.7	78%	0.779	80%	0.798	S	S	*	*			cis	-129.8	-177	0	42.9	-27.7	0	0	0	113.9
50	S	25.5	Very low	27.6	Very low	110 Å²	110	140.1 Å²	140.1	77%	0.769	81%	0.806	S	S	*	*			trans	147.4	162.5	151.6	51.7	0	0	0	0	111.4
51	S	27.5	Very low	27.4	Very low	110 Å²	110	141.2 Å²	141.2	77%	0.769	81%	0.813	S	S	*	*			cis	-160.5	151	-37.5	-87.1	0	0	0	0	108.6
52	E	24.9	Very low	26.6	Very low	185 Å²	185	141.1 Å²	141.1	86%	0.864	82%	0.815	S	S	*	*			trans	8.4	126.6	159.6	-59	174.3	167	0	0	120.5
53	E	25.4	Very low	26.6	Very low	204 Å²	204	141.3 Å²	141.3	95%	0.953	82%	0.823	S	S	*	*				-164.1	161.5	112.1	-114.9	-176.1	-173.8	0	0	113.4
54	N	25.4	Very low	26.5	Very low	140 Å²	140	141.6 Å²	141.6	75%	0.749	83%	0.826	S	S	*	*			trans	-93.7	149	-173.7	-90.8	-55.7	0	0	0	113.7
55	C	24.7	Very low	26.6	Very low	131 Å²	131	142 Å²	142	89%	0.885	83%	0.833	S	S	*	*			trans	-152.6	130.2	144.9	-103.2	0	0	0	0	112.4
56	F	24.2	Very low	26.5	Very low	182 Å²	182	141.5 Å²	141.5	80%	0.798	82%	0.823	S	S	*	*			trans	-80.7	152.9	174.1	-71.6	-104.5	0	0	0	111.4
57	N	25.7	Very low	26.4	Very low	159 Å²	159	144.2 Å²	144.2	85%	0.85	83%	0.825	S	S	*	*				-163.7	153.3	127.7	-110.1	-50.8	0	0	0	114.6
58	N	26.4	Very low	26.6	Very low	147 Å²	147	150.7 Å²	150.7	79%	0.786	82%	0.823	S	S	*	*			trans	-68.2	156.8	169.3	-61.4	-41.2	0	0	0	110
59	G	24.2	Very low	26.6	Very low	67 Å²	67	151.9 Å²	151.9	69%	0.691	82%	0.823	S	S	*	*			cis	103.2	85.2	21.1	0	0	0	0	0	109.7
60	F	25.2	Very low	25.8	Very low	203 Å²	203	151.5 Å²	151.5	89%	0.89	82%	0.818	S	S	*	*			trans	-138.9	104.6	-179.2	-110.9	-84.1	0	0	0	111.3
61	L	25.1	Very low	26.1	Very low	169 Å²	169	154.1 Å²	154.1	89%	0.885	82%	0.815	S	S	*	*			trans	-83.4	139.8	169.5	-68.1	167.3	0	0	0	109.6
62	S	27	Very low	26.3	Very low	109 Å²	109	157.8 Å²	157.8	76%	0.762	82%	0.817	S	S	*	*			trans	-144.4	81.7	171.1	46.6	0	0	0	0	111.9	L64	S62-L64 PolarHBondContact O-N 3.35Å
63	N	26.4	Very low	26.4	Very low	169 Å²	169	158.4 Å²	158.4	90%	0.904	82%	0.82	S	S	*	*			trans	-68	119.5	168.2	-84.9	-39.4	0	0	0	110.1
64	L	25.7	Very low	26.7	Very low	167 Å²	167	158 Å²	158	87%	0.874	82%	0.815	S	S	*	*			trans	-106.3	104.2	170.6	-92	166.4	0	0	0	109.6	S62	S62-L64 PolarHBondContact O-N 3.35Å
65	N	26.6	Very low	26.8	Very low	160 Å²	160	161.2 Å²	161.2	86%	0.856	82%	0.823	S	S	*	*			trans	-84.3	151.8	179.9	-150.1	-12.9	0	0	0	111.8
66	I	25.7	Very low	26.7	Very low	136 Å²	136	160.9 Å²	160.9	70%	0.697	82%	0.821	S	S	*	*			trans	-93.9	131.6	-160	-64.5	163.2	0	0	0	112.1	R68	I66-R68 HydrophobicContact CG2-CG 4.34Å
67	M	24.7	Very low	26.8	Very low	180 Å²	180	162 Å²	162	89%	0.887	83%	0.825	S	S	*	*			trans	-122.1	122.7	160.1	-75.4	-106.8	78.9	0	0	110.1
68	R	28.8	Very low	26.8	Very low	218 Å²	218	163 Å²	163	82%	0.823	82%	0.824	S	S	*	*			trans	-89.8	146.2	175.7	-63.8	173.3	174.6	162	-2.9	110.9	I66	I66-R68 HydrophobicContact CG2-CG 4.34Å
69	P	26.3	Very low	27	Very low	124 Å²	124	162.3 Å²	162.3	81%	0.805	83%	0.825	S	S	*	*			trans	-115.3	135.7	148.7	34.6	-27.4	0	0	0	112.4
70	V	26.6	Very low	27.6	Very low	111 Å²	111	164.1 Å²	164.1	67%	0.673	83%	0.825	S	S	*	*			trans	-154	129.2	-175.7	158.9	0	0	0	0	104
71	K	32	Very low	27.7	Very low	165 Å²	165	160.5 Å²	160.5	72%	0.717	82%	0.819	S	S	*	*			cis	-162.9	152.3	13.8	-118.3	164.1	-164.5	161.9	0	109.3
72	K	32.2	Very low	27.9	Very low	188 Å²	188	159.2 Å²	159.2	82%	0.817	82%	0.818	S	S	*	*			trans	60.4	159.9	149	-61.5	173	176	-177.3	0	119
73	E	26.4	Very low	28.1	Very low	198 Å²	198	159.9 Å²	159.9	93%	0.925	82%	0.817	S	S	*	*				-161.7	-177	109.6	-121.3	-177.4	-165.9	0	0	115.1
74	K	31.6	Very low	28.8	Very low	194 Å²	194	156.8 Å²	156.8	84%	0.843	81%	0.807	S	S	*	*			trans	-129.8	135.9	-172.1	-99.8	-175.7	174.8	179.6	0	110.8
75	K	26.5	Very low	29.3	Very low	208 Å²	208	154.4 Å²	154.4	90%	0.904	80%	0.801	S	S	*	*			trans	68.1	132.3	148.5	-150.2	176.2	-172.5	-178.2	0	117.4
76	C	24.2	Very low	29.4	Very low	125 Å²	125	152.2 Å²	152.2	85%	0.845	79%	0.793	S	S	*	*			trans	-81.3	150.6	-173.5	-50.5	0	0	0	0	114.8
77	K	25.7	Very low	29.9	Very low	206 Å²	206	155.3 Å²	155.3	90%	0.896	80%	0.802	S	S	*	*				-156.3	134.5	128.5	-115.5	-177.9	178.3	-171.6	0	112.5
78	E	25.3	Very low	30.2	Very low	178 Å²	178	150.8 Å²	150.8	83%	0.832	79%	0.793	S	S	*	*			trans	-58.6	168.1	171.8	-60.1	160.8	130.7	0	0	112.8
79	V	31.5	Very low	30.2	Very low	133 Å²	133	145.4 Å²	145.4	81%	0.806	79%	0.789	S	S	*	*			cis	-155.9	-173.8	14.5	-130.6	0	0	0	0	107.6
80	P	35.5	Very low	30.3	Very low	105 Å²	105	146.6 Å²	146.6	68%	0.682	79%	0.788	S	S	*	*			cis	-127.4	157.8	-40.5	36.1	-19.4	0	0	0	115.6
81	V	27.6	Very low	30.6	Very low	127 Å²	127	148.5 Å²	148.5	77%	0.77	79%	0.794	S	S	*	*			trans	30.4	122	138	-173.2	0	0	0	0	122.5
82	V	28.6	Very low	30.3	Very low	143 Å²	143	146.3 Å²	146.3	87%	0.867	80%	0.799	S	S	*	*				-145.3	151.3	126.2	178.4	0	0	0	0	108.9
83	V	32.3	Very low	30.1	Very low	122 Å²	122	145.9 Å²	145.9	74%	0.739	80%	0.797	S	S	*	*			trans	-114.1	141.8	-176.8	178	0	0	0	0	111.8
84	P	40.5	Very low	30.2	Very low	105 Å²	105	143.7 Å²	143.7	68%	0.682	79%	0.792	S	S	*	*			trans	-104.3	156.8	-176.8	38.8	-35.1	0	0	0	115.9
85	P	36.4	Very low	30.1	Very low	117 Å²	117	141.2 Å²	141.2	76%	0.76	79%	0.788	S	S	*	*			trans	-102.7	121.9	152.9	34.1	-24.6	0	0	0	110.3
86	T	29.2	Very low	30.3	Very low	113 Å²	113	138.5 Å²	138.5	69%	0.693	78%	0.783	S	S	*	*				71.6	123.8	64.5	69.6	0	0	0	0	116.4
87	K	35.3	Very low	30.6	Very low	202 Å²	202	140.8 Å²	140.8	88%	0.878	78%	0.782	S	S	*	*			trans	77.2	149.3	163	-59.8	171.3	-169.6	178.4	0	116.8
88	A	31.8	Very low	30.9	Very low	85 Å²	85	140.4 Å²	140.4	70%	0.702	78%	0.783	S	S	*	*			cis	-171.1	174.9	-18.3	0	0	0	0	0	111.5
89	S	28.4	Very low	31.3	Very low	105 Å²	105	135.3 Å²	135.3	73%	0.734	78%	0.778	S	S	*	*			trans	79.9	124.7	151.5	-71.7	0	0	0	0	122.7
90	L	29.1	Very low	31.6	Very low	148 Å²	148	134.5 Å²	134.5	78%	0.775	78%	0.779	S	S	*	*			trans	62.3	99.3	131.4	-63.1	170.1	0	0	0	121.1
91	L	32.3	Very low	31.7	Very low	152 Å²	152	136.2 Å²	136.2	80%	0.796	78%	0.778	S	S	*	*				28	119.2	119.3	-66.6	168.5	0	0	0	119.6
92	S	26.5	Very low	32.2	Very low	119 Å²	119	135.9 Å²	135.9	83%	0.832	78%	0.776	S	S	*	*			trans	-139.6	152.3	145.4	57.4	0	0	0	0	109.4
93	F	26.9	Very low	32.3	Very low	179 Å²	179	138.3 Å²	138.3	79%	0.785	78%	0.775	S	S	*	*			trans	-106.1	168.3	175.1	-87.6	-94.8	0	0	0	110.6
94	D	28	Very low	32.4	Very low	152 Å²	152	141.2 Å²	141.2	81%	0.813	77%	0.772	S	S	*	*			trans	64.7	147.8	167.1	-61.3	-1.2	0	0	0	116.7
95	D	31.2	Very low	32.4	Very low	142 Å²	142	141.6 Å²	141.6	76%	0.759	77%	0.773	S	S	*	*			cis	-160.2	150.9	-24.1	-174.9	20.3	0	0	0	106.7
96	D	30	Very low	32.9	Very low	151 Å²	151	146 Å²	146	81%	0.807	78%	0.78	S	S	*	*			trans	178.2	128.4	159.1	-100.7	-23.4	0	0	0	113.5
97	E	31.1	Very low	34	Very low	172 Å²	172	148.3 Å²	148.3	80%	0.804	78%	0.78	S	S	*	*			trans	24.8	116.1	159.8	-67.9	-172.3	148	0	0	123.6
98	E	31.4	Very low	34.8	Very low	198 Å²	198	143.5 Å²	143.5	93%	0.925	77%	0.77	S	S	*	*				37.9	108.4	118.1	-167.1	173.8	-106.7	0	0	119.8
99	G	33.6	Very low	35.8	Very low	71 Å²	71	145.4 Å²	145.4	73%	0.732	77%	0.768	S	S	*	*			trans	174.1	94.9	163.5	0	0	0	0	0	118	E101	G99-E101 PolarHBondContact O-N 3.34Å
100	S	39	Very low	37	Very low	117 Å²	117	147.1 Å²	147.1	82%	0.818	76%	0.764	S	S	*	*			trans	-86.3	78.7	174.9	50.5	0	0	0	0	113.7	V102	S100-V102 PolarHBondContact O-N 2.88Å
101	E	36.9	Very low	38.2	Very low	141 Å²	141	142.3 Å²	142.3	66%	0.659	74%	0.743	S	S	*	*			trans	-76.1	81.7	176.7	-75	-100.5	132.8	0	0	113	G99 R104	G99-E101 PolarHBondContact O-N 3.34Å; E101-R104 IonicContact OE1-CZ 2.88Å; E101-R104 IonicContact OE1-NH1 2.65Å; E101-R104 PolarHBondContact OE1-NH1 2.94Å; E101-R104 IonicContact OE1-NH2 2.7Å; E101-R104 PolarHBondContact OE1-NH2 3.34Å; E101-R104 IonicContact OE2-CZ 2.68Å; E101-R104 IonicContact OE2-NH1 2.65Å; E101-R104 PolarHBondContact OE2-NH1 3.37Å
102	V	37.5	Very low	39.5	Very low	120 Å²	120	142.1 Å²	142.1	73%	0.727	74%	0.736	S	S	*	*			trans	-72.2	142.5	168.4	176.6	0	0	0	0	111.4	S100 R104	S100-V102 PolarHBondContact O-N 2.88Å; V102-R104 PolarHBondContact O-N 3.39Å
103	F	30.7	Very low	41.2	Very low	194 Å²	194	144.4 Å²	144.4	85%	0.851	73%	0.731	S	S	*	*			trans	-49	118.4	-175.3	-167.6	-100.7	0	0	0	114.3
104	R	35.3	Very low	43.1	Very low	182 Å²	182	140 Å²	140	69%	0.687	71%	0.714	S	S	*	*			trans	-92.4	111.1	-170.6	-69.3	-175.6	172	124.2	1.5	114.1	E101 V102	E101-R104 IonicContact OE1-CZ 2.88Å; E101-R104 IonicContact OE1-NH1 2.65Å; E101-R104 PolarHBondContact OE1-NH1 2.94Å; E101-R104 IonicContact OE1-NH2 2.7Å; E101-R104 PolarHBondContact OE1-NH2 3.34Å; E101-R104 IonicContact OE2-CZ 2.68Å; E101-R104 IonicContact OE2-NH1 2.65Å; E101-R104 PolarHBondContact OE2-NH1 3.37Å; V102-R104 PolarHBondContact O-N 3.39Å
105	V	40.7	Very low	45.1	Very low	114 Å²	114	136.5 Å²	136.5	69%	0.691	70%	0.698	S	S	*	*			trans	-83.9	132.8	168.2	-179.3	0	0	0	0	111.3	K107	V105-K107 PolarHBondContact O-N 3.38Å; V105-K107 VanDerWaalsContact O-N 3.16Å
106	K	46.3	Very low	46.9	Very low	208 Å²	208	137.9 Å²	137.9	90%	0.904	70%	0.697	S	S	*	*			trans	-73.6	99.9	-178.8	-67.5	178.5	-179.9	174.6	0	112
107	K	52.4	Low	48.9	Very low	163 Å²	163	136.2 Å²	136.2	71%	0.709	69%	0.685	S	S	*	*			trans	-86.5	141.7	173.6	-66.7	-171.9	177.6	-175.6	0	112.7	V105	V105-K107 PolarHBondContact O-N 3.38Å; V105-K107 VanDerWaalsContact O-N 3.16Å
108	P	51.7	Low	50.7	Low	100 Å²	100	133 Å²	133	65%	0.649	67%	0.673	S	S	*	*			trans	-72.8	155	-176.6	29.2	-35.5	0	0	0	113.8	H110 S111	P108-H110 PolarHBondContact O-N 3.27Å; P108-S111 PolarHBondContact O-N 2.86Å
109	N	52.7	Low	52.6	Low	126 Å²	126	131.4 Å²	131.4	67%	0.674	66%	0.663	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.7	-13	-167.5	-78.6	-38.3	0	0	0	116.2
110	H	53.3	Low	54.4	Low	141 Å²	141	133.4 Å²	133.4	65%	0.653	65%	0.651	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.3	-41.6	173.7	-164.5	-116.2	0	0	0	112	P108 K112 K113	P108-H110 PolarHBondContact O-N 3.27Å; H110-K112 VanDerWaalsContact C-N 3.25Å; H110-K112 PolarHBondContact O-N 3.48Å; H110-K113 PolarHBondContact O-N 3.39Å; H110-K113 VanDerWaalsContact O-N 3.09Å
111	S	53.9	Low	55.9	Low	47 Å²	47	131.5 Å²	131.5	33%	0.329	63%	0.63	S	S	.	*	H	α-helix	trans	-58	-35.6	-178.2	175.7	0	0	0	0	112.8	P108 K113 I114 V115	P108-S111 PolarHBondContact O-N 2.86Å; S111-K113 VanDerWaalsContact C-N 3.29Å; S111-K113 PolarHBondContact O-N 3.3Å; S111-I114 PolarHBondContact O-N 2.98Å; S111-V115 WeakPolarHBondContact O-CG2 3.42Å; S111-V115 PolarHBondContact O-N 3.23Å; S111-V115 VanDerWaalsContact O-N 3.13Å
112	K	59.9	Low	57.2	Low	147 Å²	147	132.8 Å²	132.8	64%	0.639	63%	0.63	S	S	*	*	H	α-helix	trans	-67.4	-22.6	179.8	-69.9	-177.2	177.9	176.3	0	114.1	H110 K116	H110-K112 VanDerWaalsContact C-N 3.25Å; H110-K112 PolarHBondContact O-N 3.48Å; K112-K116 WeakPolarHBondContact O-CB 3.24Å
113	K	63.3	Low	58.4	Low	168 Å²	168	133.4 Å²	133.4	73%	0.73	62%	0.622	S	S	*	*	H	α-helix	trans	-78.3	-49.6	173.8	-82.3	-171.6	173.5	-177.5	0	111.4	H110 S111 V115 K116 Q117	H110-K113 PolarHBondContact O-N 3.39Å; H110-K113 VanDerWaalsContact O-N 3.09Å; S111-K113 VanDerWaalsContact C-N 3.29Å; S111-K113 PolarHBondContact O-N 3.3Å; K113-V115 PolarHBondContact O-N 3.21Å; K113-K116 PolarHBondContact O-N 3.43Å; K113-K116 VanDerWaalsContact O-N 3.09Å; K113-Q117 PolarHBondContact O-N 3Å
114	I	66.1	Low	60	Low	86 Å²	86	128.2 Å²	128.2	44%	0.441	60%	0.601	S	S	.	*	H	α-helix	trans	-59.9	-47.5	-178.4	-64.6	173	0	0	0	110.9	S111 K116 Q117 L118	S111-I114 PolarHBondContact O-N 2.98Å; I114-K116 PolarHBondContact O-N 3.02Å; I114-Q117 PolarHBondContact O-N 2.93Å; I114-Q117 VanDerWaalsContact O-N 3.08Å; I114-L118 HydrophobicContact CG2-CD1 4Å; I114-L118 PolarHBondContact O-N 3.42Å
115	V	69.9	Low	61.2	Low	78 Å²	78	123.7 Å²	123.7	47%	0.473	59%	0.59	S	S	.	*	H	α-helix	trans	-62.1	-31.6	177.2	174.3	0	0	0	0	112.5	S111 K113 K119	S111-V115 WeakPolarHBondContact O-CG2 3.42Å; S111-V115 PolarHBondContact O-N 3.23Å; S111-V115 VanDerWaalsContact O-N 3.13Å; K113-V115 PolarHBondContact O-N 3.21Å; V115-K119 WeakPolarHBondContact O-CB 3.5Å; V115-K119 PolarHBondContact O-N 3.18Å; V115-K119 VanDerWaalsContact O-N 3.08Å
116	K	69.5	Low	61.8	Low	171 Å²	171	123.9 Å²	123.9	74%	0.743	59%	0.587	S	S	*	*	H	α-helix	trans	-77.6	-23.3	177.4	-166.3	172.2	-176.4	179.5	0	112.8	K112 K113 I114 K120	K112-K116 WeakPolarHBondContact O-CB 3.24Å; K113-K116 PolarHBondContact O-N 3.43Å; K113-K116 VanDerWaalsContact O-N 3.09Å; I114-K116 PolarHBondContact O-N 3.02Å; K116-K120 PolarHBondContact O-N 3.44Å
117	Q	71.3	Confident	62.1	Low	117 Å²	117	121 Å²	121	55%	0.547	58%	0.576	S	S	.	*	H	α-helix	trans	-81.2	-46.8	173.3	-178.6	162.1	-13.3	0	0	111.5	K113 I114 K119 K120 E121	K113-Q117 PolarHBondContact O-N 3Å; I114-Q117 PolarHBondContact O-N 2.93Å; I114-Q117 VanDerWaalsContact O-N 3.08Å; Q117-K119 VanDerWaalsContact C-N 3.3Å; Q117-K119 PolarHBondContact O-N 3.3Å; Q117-K120 WeakPolarHBondContact O-CA 3.29Å; Q117-K120 VanDerWaalsContact O-CB 3.32Å; Q117-K120 WeakPolarHBondContact O-CB 3.47Å; Q117-K120 PolarHBondContact O-N 3.1Å; Q117-E121 WeakPolarHBondContact CG-OE1 3.24Å; Q117-E121 PolarHBondContact NE2-OE1 3.43Å; Q117-E121 PolarHBondContact O-N 3.15Å
118	L	68.9	Low	62.4	Low	105 Å²	105	120.5 Å²	120.5	55%	0.55	57%	0.574	S	S	.	*	H	α-helix	trans	-57.3	-40.5	172.2	-80	162.5	0	0	0	112.4	I114 K120 E121 Y122	I114-L118 HydrophobicContact CG2-CD1 4Å; I114-L118 PolarHBondContact O-N 3.42Å; L118-K120 PolarHBondContact O-N 3.32Å; L118-E121 PolarHBondContact O-N 2.79Å; L118-Y122 VanDerWaalsContact O-CB 3.22Å; L118-Y122 WeakPolarHBondContact O-CB 3.46Å; L118-Y122 PolarHBondContact O-N 3.38Å
119	K	71.6	Confident	62	Low	163 Å²	163	121.3 Å²	121.3	71%	0.709	58%	0.582	S	S	*	*	H	α-helix	trans	-70.8	-9.6	172.3	-81.7	-160.7	171.3	-167.2	0	114.9	V115 Q117 K123	V115-K119 WeakPolarHBondContact O-CB 3.5Å; V115-K119 PolarHBondContact O-N 3.18Å; V115-K119 VanDerWaalsContact O-N 3.08Å; Q117-K119 VanDerWaalsContact C-N 3.3Å; Q117-K119 PolarHBondContact O-N 3.3Å; K119-K123 WeakPolarHBondContact O-CB 3.5Å
120	K	70.9	Confident	61.1	Low	114 Å²	114	117.7 Å²	117.7	50%	0.496	58%	0.575	S	S	.	*	H	α-helix	trans	-89.1	-50.4	170.1	-177.1	179.7	175.4	-73.1	0	110.1	K116 Q117 L118 K123 E124	K116-K120 PolarHBondContact O-N 3.44Å; Q117-K120 WeakPolarHBondContact O-CA 3.29Å; Q117-K120 VanDerWaalsContact O-CB 3.32Å; Q117-K120 WeakPolarHBondContact O-CB 3.47Å; Q117-K120 PolarHBondContact O-N 3.1Å; L118-K120 PolarHBondContact O-N 3.32Å; K120-K123 CarbonylContact O-C 3.55Å; K120-K123 WeakPolarHBondContact O-CA 3.4Å; K120-K123 PolarHBondContact O-N 3.21Å; K120-E124 WeakPolarHBondContact CE-OE1 3.47Å; K120-E124 IonicContact NZ-OE1 2.88Å; K120-E124 PolarHBondContact NZ-OE1 3.01Å; K120-E124 IonicContact NZ-OE2 3.34Å; K120-E124 PolarHBondContact NZ-OE2 3.08Å; K120-E124 PolarHBondContact O-N 3.25Å
121	E	71.6	Confident	59.9	Low	77 Å²	77	118.9 Å²	118.9	36%	0.36	59%	0.586	S	S	.	*	H	α-helix	trans	-58.6	-51.3	178.3	-73.1	148.5	-175.5	0	0	110.7	Q117 L118 K123 E124 D125	Q117-E121 WeakPolarHBondContact CG-OE1 3.24Å; Q117-E121 PolarHBondContact NE2-OE1 3.43Å; Q117-E121 PolarHBondContact O-N 3.15Å; L118-E121 PolarHBondContact O-N 2.79Å; E121-K123 PolarHBondContact O-N 3.06Å; E121-E124 PolarHBondContact O-N 3.38Å; E121-D125 PolarHBondContact O-N 3.41Å
122	Y	63.8	Low	58.8	Low	168 Å²	168	123.6 Å²	123.6	66%	0.659	61%	0.613	S	S	*	*	H	α-helix	trans	-56.2	-28.9	173.6	-174	-96.9	0	0	0	113.7	L118 L126	L118-Y122 VanDerWaalsContact O-CB 3.22Å; L118-Y122 WeakPolarHBondContact O-CB 3.46Å; L118-Y122 PolarHBondContact O-N 3.38Å; Y122-L126 HydrophobicContact CE1-CD2 4.28Å; Y122-L126 WeakPolarHBondContact O-CB 3.37Å; Y122-L126 PolarHBondContact O-N 3.42Å; Y122-L126 VanDerWaalsContact O-N 3.11Å
123	K	62.7	Low	57.5	Low	133 Å²	133	125.3 Å²	125.3	58%	0.578	62%	0.62	S	S	*	*	H	α-helix	trans	-84.9	-26.9	178	-168.4	171.7	-177.9	179	0	112.9	K119 K120 E121 Q127	K119-K123 WeakPolarHBondContact O-CB 3.5Å; K120-K123 CarbonylContact O-C 3.55Å; K120-K123 WeakPolarHBondContact O-CA 3.4Å; K120-K123 PolarHBondContact O-N 3.21Å; E121-K123 PolarHBondContact O-N 3.06Å; K123-Q127 WeakPolarHBondContact O-CG 3.42Å; K123-Q127 PolarHBondContact O-N 3.48Å
124	E	65	Low	55.9	Low	85 Å²	85	124.8 Å²	124.8	40%	0.397	62%	0.62	S	S	.	*	H	α-helix	trans	-78.5	-28.8	173.4	-75.1	172.8	147.3	0	0	111.8	K120 E121 K128	K120-E124 WeakPolarHBondContact CE-OE1 3.47Å; K120-E124 IonicContact NZ-OE1 2.88Å; K120-E124 PolarHBondContact NZ-OE1 3.01Å; K120-E124 IonicContact NZ-OE2 3.34Å; K120-E124 PolarHBondContact NZ-OE2 3.08Å; K120-E124 PolarHBondContact O-N 3.25Å; E121-E124 PolarHBondContact O-N 3.38Å; E124-K128 WeakPolarHBondContact O-CG 3.29Å
125	D	60.3	Low	54.1	Low	87 Å²	87	127.4 Å²	127.4	47%	0.465	63%	0.63	S	S	.	*	H	α-helix	trans	-82.1	-38.8	174.1	-65.2	-32.1	0	0	0	112.6	E121 Q127 K128 S129	E121-D125 PolarHBondContact O-N 3.41Å; D125-Q127 PolarHBondContact O-N 2.65Å; D125-Q127 VanDerWaalsContact O-N 3.14Å; D125-K128 PolarHBondContact O-N 2.65Å; D125-K128 IonicContact OD1-NZ 3.39Å; D125-K128 PolarHBondContact OD1-NZ 3.11Å; D125-S129 PolarHBondContact O-N 3.19Å
126	L	52.7	Low	52	Low	118 Å²	118	129.7 Å²	129.7	62%	0.618	65%	0.645	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64	-16.4	171.9	-165.4	67.5	0	0	0	113	Y122	Y122-L126 HydrophobicContact CE1-CD2 4.28Å; Y122-L126 WeakPolarHBondContact O-CB 3.37Å; Y122-L126 PolarHBondContact O-N 3.42Å; Y122-L126 VanDerWaalsContact O-N 3.11Å
127	Q	52.7	Low	50.1	Low	147 Å²	147	130.3 Å²	130.3	69%	0.687	65%	0.647	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.7	-6.2	171.2	-76.3	-172.3	-30.3	0	0	114.5	K123 D125	K123-Q127 WeakPolarHBondContact O-CG 3.42Å; K123-Q127 PolarHBondContact O-N 3.48Å; D125-Q127 PolarHBondContact O-N 2.65Å; D125-Q127 VanDerWaalsContact O-N 3.14Å
128	K	58.4	Low	48	Very low	153 Å²	153	129.7 Å²	129.7	67%	0.665	66%	0.656	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.1	-36.9	173.9	-69.4	170.2	-163.5	153.5	0	112.6	E124 D125 G130	E124-K128 WeakPolarHBondContact O-CG 3.29Å; D125-K128 PolarHBondContact O-N 2.65Å; D125-K128 IonicContact OD1-NZ 3.39Å; D125-K128 PolarHBondContact OD1-NZ 3.11Å; K128-G130 VanDerWaalsContact C-N 3.31Å; K128-G130 PolarHBondContact O-N 3.44Å
129	S	43.1	Very low	46	Very low	117 Å²	117	132.6 Å²	132.6	82%	0.818	67%	0.672	S	S	*	*	S	Bend	trans	-89.9	48.6	-177.5	-59.6	0	0	0	0	113.4	D125	D125-S129 PolarHBondContact O-N 3.19Å
130	G	34	Very low	44.1	Very low	50 Å²	50	128.7 Å²	128.7	52%	0.515	67%	0.671	S	S	.	*			trans	-162.1	82.8	-175.8	0	0	0	0	0	115.5	K128	K128-G130 VanDerWaalsContact C-N 3.31Å; K128-G130 PolarHBondContact O-N 3.44Å
131	N	29.1	Very low	42.6	Very low	165 Å²	165	129 Å²	129	88%	0.882	68%	0.684	S	S	*	*			trans	-160.8	98.1	163.5	-108.5	-51.7	0	0	0	112.9
132	V	30.7	Very low	41.2	Very low	147 Å²	147	131.1 Å²	131.1	89%	0.891	71%	0.705	S	S	*	*			trans	-176.5	159	137	144.4	0	0	0	0	108.4
133	K	32.4	Very low	39.3	Very low	182 Å²	182	131.1 Å²	131.1	79%	0.791	71%	0.71	S	S	*	*			trans	-94.1	177.7	-168.7	-47.3	173.4	-175.1	174.2	0	110.8
134	Q	29.5	Very low	38.1	Very low	157 Å²	157	129.9 Å²	129.9	73%	0.734	72%	0.716	S	S	*	*			cis	-157.6	171.2	14.9	-158.2	159.7	-27	0	0	113.8
135	E	28	Very low	36.2	Very low	141 Å²	141	131.3 Å²	131.3	66%	0.659	73%	0.731	S	S	*	*			trans	-49	143.8	-176.3	-53.8	152.3	113	0	0	120.2
136	T	27	Very low	34.4	Very low	127 Å²	127	135.7 Å²	135.7	78%	0.779	75%	0.746	S	S	*	*			trans	53.9	151.3	140	62.7	0	0	0	0	121.3
137	K	29.2	Very low	33.1	Very low	183 Å²	183	135.1 Å²	135.1	80%	0.796	75%	0.747	S	S	*	*			cis	-164.8	145.2	24.7	-142.7	168.4	-174	176.2	0	112.9
138	S	27.3	Very low	31.8	Very low	105 Å²	105	134.3 Å²	134.3	73%	0.734	75%	0.752	S	S	*	*			trans	46.9	134.3	145	60.9	0	0	0	0	124.7
139	D	26.4	Very low	30.3	Very low	166 Å²	166	136.1 Å²	136.1	89%	0.888	76%	0.76	S	S	*	*			trans	99.6	160.1	143.1	-131.4	-17.1	0	0	0	119.8
140	A	31.1	Very low	29.5	Very low	81 Å²	81	139.5 Å²	139.5	67%	0.669	76%	0.763	S	S	*	*			trans	-122.2	-147.2	-146.8	0	0	0	0	0	116.2
141	P	40.3	Very low	29.2	Very low	120 Å²	120	145 Å²	145	78%	0.779	78%	0.775	S	S	*	*			trans	-98.1	-179.3	-131.5	9.8	15.7	0	0	0	114.2
142	P	41.7	Very low	29.2	Very low	122 Å²	122	140.9 Å²	140.9	79%	0.792	76%	0.764	S	S	*	*			cis	-141.5	-172.3	22.7	41.5	-20.2	0	0	0	118.3
143	Q	25	Very low	29.1	Very low	167 Å²	167	140.1 Å²	140.1	78%	0.78	75%	0.754	S	S	*	*			trans	-40.7	164.1	158.1	-70.8	-93.7	-3.2	0	0	114.4
144	P	37.4	Very low	28.9	Very low	107 Å²	107	136.2 Å²	136.2	70%	0.695	75%	0.749	S	S	*	*			cis	-158.2	178.2	38	45.1	-22.1	0	0	0	121
145	V	24.2	Very low	28.8	Very low	116 Å²	116	140.6 Å²	140.6	70%	0.703	76%	0.759	S	S	*	*			trans	55	122.6	156	-121.1	0	0	0	0	125.4
146	F	23.4	Very low	28.8	Very low	178 Å²	178	137 Å²	137	78%	0.781	76%	0.759	S	S	*	*			trans	84	110.9	130.7	-101.6	-139.2	0	0	0	127.4
147	T	23.8	Very low	28.8	Very low	106 Å²	106	138.8 Å²	138.8	65%	0.65	76%	0.764	S	S	*	*				77.9	161.7	121.9	57.4	0	0	0	0	126
148	V	26	Very low	28.8	Very low	130 Å²	130	134.1 Å²	134.1	79%	0.788	75%	0.754	S	S	*	*			trans	85.9	118.7	170.6	-169.4	0	0	0	0	114.9
149	K	26.1	Very low	29	Very low	192 Å²	192	137 Å²	137	84%	0.835	76%	0.757	S	S	*	*			cis	109.8	147.7	11.6	-165.6	178.7	178.2	-173.7	0	113.8
150	E	26.4	Very low	29.1	Very low	188 Å²	188	137.4 Å²	137.4	88%	0.879	75%	0.753	S	S	*	*			trans	88.3	135.2	-173.8	-56.2	-175.8	137.3	0	0	114.6
151	E	27.8	Very low	29	Very low	166 Å²	166	136.2 Å²	136.2	78%	0.776	75%	0.748	S	S	*	*			cis	-142.5	-138.6	-25.7	-149.1	-140.8	123.4	0	0	107.9	I153	E151-I153 PolarHBondContact OE1-N 3.38Å
152	A	29.1	Very low	28.5	Very low	78 Å²	78	138.8 Å²	138.8	65%	0.645	75%	0.75	S	S	*	*			cis	-153.5	145.5	4.6	0	0	0	0	0	117.4
153	I	28.1	Very low	27.8	Very low	131 Å²	131	141 Å²	141	67%	0.672	75%	0.75	S	S	*	*			trans	59.4	86	143.4	-60.2	168.1	0	0	0	120.8	E151	E151-I153 PolarHBondContact OE1-N 3.38Å
154	S	29.4	Very low	28	Very low	99 Å²	99	140 Å²	140	69%	0.692	75%	0.745	S	S	*	*				83.4	140.6	118.8	86.6	0	0	0	0	125.5
155	R	27.9	Very low	27.5	Very low	250 Å²	250	140.9 Å²	140.9	94%	0.943	74%	0.741	S	S	*	*			trans	69.9	123.5	156.8	-70.8	175.5	163.9	163.7	-4.9	119.2
156	G	26.7	Very low	27.7	Very low	65 Å²	65	143 Å²	143	67%	0.67	74%	0.744	S	S	*	*			cis	163.9	146.9	-11.6	0	0	0	0	0	114.8
157	N	26.9	Very low	27.9	Very low	164 Å²	164	139.9 Å²	139.9	88%	0.877	74%	0.739	S	S	*	*			trans	62.3	142.5	169.4	-66.5	58	0	0	0	118.1
158	S	30.3	Very low	27.9	Very low	85 Å²	85	143.1 Å²	143.1	59%	0.594	75%	0.746	S	S	*	*			cis	-173.2	140.9	-16.2	45	0	0	0	0	110
159	E	31	Very low	28.1	Very low	167 Å²	167	141.6 Å²	141.6	78%	0.78	74%	0.742	S	S	*	*			trans	45.4	143.3	146.9	-69	166.5	113.9	0	0	121.5
160	H	28.2	Very low	28.1	Very low	174 Å²	174	135.4 Å²	135.4	81%	0.806	73%	0.732	S	S	*	*			cis	-130.7	172.8	-3.8	-77.6	-37.7	0	0	0	107.7
161	G	29.7	Very low	28.2	Very low	56 Å²	56	133.9 Å²	133.9	58%	0.577	73%	0.73	S	S	*	*			cis	150.4	132.6	-2.7	0	0	0	0	0	110.5
162	E	28.8	Very low	28.4	Very low	174 Å²	174	131.1 Å²	131.1	81%	0.813	72%	0.717	S	S	*	*			trans	54.9	129.3	170.7	-72.7	118.4	-102.5	0	0	119.1
163	E	27.8	Very low	28.5	Very low	169 Å²	169	135.1 Å²	135.1	79%	0.79	72%	0.723	S	S	*	*				78	137.4	56.2	-75	-177.5	-176.3	0	0	113.8
164	E	29.8	Very low	28.5	Very low	144 Å²	144	134.9 Å²	134.9	67%	0.673	72%	0.723	S	S	*	*			cis	-160.6	-177	-21.7	-135.1	-173.9	-170	0	0	111
165	M	25.3	Very low	28.6	Very low	127 Å²	127	137.7 Å²	137.7	63%	0.626	73%	0.725	S	S	*	*			trans	33.3	118.6	152.2	-70.6	-171.9	-170.6	0	0	121.5
166	E	28.3	Very low	28.7	Very low	161 Å²	161	132.1 Å²	132.1	75%	0.752	71%	0.71	S	S	*	*				77.4	169.3	98	-64.3	177.2	-163.1	0	0	113.3
167	V	27.6	Very low	28.9	Very low	111 Å²	111	133.2 Å²	133.2	67%	0.673	71%	0.713	S	S	*	*			cis	-153	155.6	14.1	-143.1	0	0	0	0	110.6
168	E	24.7	Very low	28.9	Very low	174 Å²	174	134.5 Å²	134.5	81%	0.813	71%	0.71	S	S	*	*			trans	57.2	171	143.6	-98.5	-163.1	108.5	0	0	122.3
169	S	29.3	Very low	28.9	Very low	99 Å²	99	134.4 Å²	134.4	69%	0.692	72%	0.715	S	S	*	*			cis	-158.9	176	-17.5	-142.9	0	0	0	0	112.1
170	G	26.8	Very low	28.8	Very low	62 Å²	62	134.3 Å²	134.3	64%	0.639	71%	0.714	S	S	*	*			trans	81.7	143.2	163.6	0	0	0	0	0	117.6
171	D	28.6	Very low	28.6	Very low	156 Å²	156	134.1 Å²	134.1	83%	0.834	71%	0.714	S	S	*	*			cis	104.4	139.9	26	-85	-30.9	0	0	0	114
172	E	32.1	Very low	28.4	Very low	108 Å²	108	134.6 Å²	134.6	51%	0.505	72%	0.719	S	S	.	*			cis	-123.3	-106.8	1.5	-167.6	-148.5	127.6	0	0	111.7	K204	E172-K204 PolarHBondContact O-NZ 3.36Å
173	Q	30.5	Very low	28.4	Very low	162 Å²	162	135 Å²	135	76%	0.757	72%	0.721	S	S	*	*			cis	-155.7	165.3	-11.2	-158.5	140.9	82.6	0	0	114.3
174	N	28.4	Very low	28.3	Very low	125 Å²	125	133.7 Å²	133.7	67%	0.668	72%	0.718	S	S	*	*			trans	-54.7	166.2	176.8	-72.7	-35.5	0	0	0	118.4
175	E	31.9	Very low	28.3	Very low	158 Å²	158	131.4 Å²	131.4	74%	0.738	72%	0.718	S	S	*	*			cis	-171.9	178.1	-15.8	-99.2	-84.2	-109.9	0	0	106.6
176	E	29.3	Very low	28.4	Very low	133 Å²	133	137.4 Å²	137.4	62%	0.621	73%	0.734	S	S	*	*			cis	-122.8	-111	-1.1	-163.1	-141.2	122.4	0	0	111.3	K178	E176-K178 PolarHBondContact OE1-N 3.1Å
177	A	31.6	Very low	28.4	Very low	89 Å²	89	133.6 Å²	133.6	74%	0.736	74%	0.738	S	S	*	*			cis	-148.9	141.8	1.7	0	0	0	0	0	112.6
178	K	27.7	Very low	28.5	Very low	190 Å²	190	139.2 Å²	139.2	83%	0.826	75%	0.747	S	S	*	*			trans	-134.1	166.9	173.9	-69.2	174.7	-175.7	154.1	0	110.8	E176	E176-K178 PolarHBondContact OE1-N 3.1Å
179	A	29.6	Very low	28.6	Very low	83 Å²	83	137.3 Å²	137.3	69%	0.686	74%	0.742	S	S	*	*			cis	-130.1	-162.8	3.2	0	0	0	0	0	109.3
180	Q	28.9	Very low	28.6	Very low	166 Å²	166	140 Å²	140	78%	0.776	75%	0.754	S	S	*	*			cis	-161.7	166.6	20.9	-131.7	158.4	-62.3	0	0	105.6
181	E	23.8	Very low	28.6	Very low	169 Å²	169	140.8 Å²	140.8	79%	0.79	76%	0.762	S	S	*	*			cis	-161.7	167.3	11.1	-165.7	156.9	-110.9	0	0	109.1
182	G	26.8	Very low	28.8	Very low	66 Å²	66	139.4 Å²	139.4	68%	0.68	77%	0.765	S	S	*	*			trans	117.8	99.9	158.2	0	0	0	0	0	119.1
183	Q	28.1	Very low	28.8	Very low	183 Å²	183	140 Å²	140	86%	0.855	78%	0.781	S	S	*	*			trans	9.7	149.3	137.3	-57	-173.6	16	0	0	121.1
184	L	25.1	Very low	29	Very low	141 Å²	141	139 Å²	139	74%	0.738	77%	0.774	S	S	*	*			cis	-166.4	160.9	-5.5	-113.6	170.1	0	0	0	111.2
185	S	30.3	Very low	29.8	Very low	97 Å²	97	139.3 Å²	139.3	68%	0.678	78%	0.776	S	S	*	*			trans	57.2	108.3	152.6	61.2	0	0	0	0	122.6
186	R	27.3	Very low	30.6	Very low	252 Å²	252	135.5 Å²	135.5	95%	0.951	76%	0.763	S	S	*	*				64.8	100.1	116.4	-173.8	-179	171.4	139.8	-5.3	119.4
187	G	28.3	Very low	31.3	Very low	81 Å²	81	135.8 Å²	135.8	84%	0.835	77%	0.769	S	S	*	*			trans	-146.8	162.7	160.4	0	0	0	0	0	111.5
188	R	29.6	Very low	32.1	Very low	230 Å²	230	135.2 Å²	135.2	87%	0.868	76%	0.759	S	S	*	*			trans	-142.9	120.2	-173.1	-173	-176.7	-171.2	-166.8	5.1	113.7
189	N	27.6	Very low	33	Very low	134 Å²	134	127.7 Å²	127.7	72%	0.717	73%	0.73	S	S	*	*			trans	67.6	152.1	159.7	-66.7	25.3	0	0	0	120.8
190	V	27.8	Very low	34.1	Very low	156 Å²	156	128.1 Å²	128.1	95%	0.945	72%	0.721	S	S	*	*			trans	73.7	116.6	165.3	-159.6	0	0	0	0	117.3
191	G	27.8	Very low	35.3	Very low	78 Å²	78	126 Å²	126	80%	0.804	72%	0.719	S	S	*	*			trans	158.1	79	174.3	0	0	0	0	0	111.4
192	S	32.1	Very low	36.8	Very low	126 Å²	126	122.4 Å²	122.4	88%	0.881	71%	0.713	S	S	*	*			trans	-80.9	124.7	-172.4	-172.9	0	0	0	0	113.1
193	S	31.9	Very low	38.1	Very low	120 Å²	120	122.4 Å²	122.4	84%	0.839	70%	0.697	S	S	*	*			trans	-158.9	108.6	150.7	-150.4	0	0	0	0	109.2
194	F	35.1	Very low	39.5	Very low	143 Å²	143	120.2 Å²	120.2	63%	0.627	68%	0.684	S	S	*	*			trans	-110.1	115.5	-171.3	-169.8	-101.5	0	0	0	110.4	T196 S199	F194-T196 HydrophobicContact CD1-CG2 4.49Å; F194-T196 PolarHBondContact O-N 3.5Å; F194-S199 WeakPolarHBondContact CE1-OG 3.47Å; F194-S199 WeakPolarHBondContact CZ-OG 3.39Å
195	N	44.8	Very low	40.4	Very low	131 Å²	131	120.1 Å²	120.1	70%	0.701	69%	0.692	S	S	*	*			trans	-73.7	106.8	178.9	-85.1	-35.2	0	0	0	110.7	L197 S198	N195-L197 PolarHBondContact O-N 3.33Å; N195-S198 PolarHBondContact O-N 3.37Å
196	T	48.4	Very low	41.6	Very low	77 Å²	77	119.4 Å²	119.4	47%	0.472	70%	0.7	S	S	.	*	T	Hydrogen-bonded Turn	trans	-72.4	6.5	-167	48.1	0	0	0	0	116.5	F194 F213	F194-T196 HydrophobicContact CD1-CG2 4.49Å; F194-T196 PolarHBondContact O-N 3.5Å; T196-F213 WeakPolarHBondContact O-CE2 3.41Å
197	L	44.7	Very low	43.3	Very low	140 Å²	140	113 Å²	113	73%	0.733	68%	0.681	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.8	-30	174.9	-70.3	173	0	0	0	113.3	N195 S199	N195-L197 PolarHBondContact O-N 3.33Å; L197-S199 PolarHBondContact O-N 3.45Å; L197-S199 VanDerWaalsContact O-N 3.16Å
198	S	48.3	Very low	44.8	Very low	76 Å²	76	115.8 Å²	115.8	53%	0.531	68%	0.675	S	S	.	*	T	Hydrogen-bonded Turn	trans	-71.2	-10.2	-174	-56.7	0	0	0	0	114.5	N195 T201 S202	N195-S198 PolarHBondContact O-N 3.37Å; S198-T201 PolarHBondContact O-OG1 3.26Å; S198-S202 PolarHBondContact O-OG 3.37Å
199	S	47.3	Very low	46.8	Very low	33 Å²	33	106.7 Å²	106.7	23%	0.231	65%	0.646	C	S	.	*	T	Hydrogen-bonded Turn	trans	-97.7	-15.8	-174.6	-45.8	0	0	0	0	114.1	F194 L197 T201 S202	F194-S199 WeakPolarHBondContact CE1-OG 3.47Å; F194-S199 WeakPolarHBondContact CZ-OG 3.39Å; L197-S199 PolarHBondContact O-N 3.45Å; L197-S199 VanDerWaalsContact O-N 3.16Å; S199-T201 VanDerWaalsContact C-N 3.32Å; S199-S202 PolarHBondContact O-N 3.19Å
200	L	52.1	Low	48.9	Very low	92 Å²	92	105.9 Å²	105.9	48%	0.482	64%	0.642	S	S	.	*	G	3₁₀ helix	trans	-73	-30	171.7	-74.4	170.4	0	0	0	111.1	S202 F213	L200-S202 PolarHBondContact O-N 2.85Å; L200-F213 HydrophobicContact CD1-CE1 4.31Å; L200-F213 HydrophobicContact CD1-CZ 4.02Å; L200-F213 HydrophobicContact CD2-CE1 3.8Å; L200-F213 HydrophobicContact CD2-CZ 4.05Å; L200-F213 HydrophobicContact CG-CE1 4.13Å; L200-F213 HydrophobicContact CG-CZ 3.85Å
201	T	54.9	Low	50.8	Low	122 Å²	122	101.8 Å²	101.8	75%	0.748	62%	0.624	S	S	*	*	G	3₁₀ helix	trans	-79.1	17.8	173.2	45.5	0	0	0	0	113.9	S198 S199	S198-T201 PolarHBondContact O-OG1 3.26Å; S199-T201 VanDerWaalsContact C-N 3.32Å
202	S	55.2	Low	52.4	Low	93 Å²	93	101.3 Å²	101.3	65%	0.65	61%	0.612	S	S	*	*	G	3₁₀ helix	trans	-133.2	5.4	-177.1	-55.7	0	0	0	0	114.3	S198 S199 L200	S198-S202 PolarHBondContact O-OG 3.37Å; S199-S202 PolarHBondContact O-N 3.19Å; L200-S202 PolarHBondContact O-N 2.85Å
203	L	54.3	Low	54.5	Low	66 Å²	66	97.9 Å²	97.9	35%	0.346	58%	0.582	S	S	.	*	S	Bend	trans	-95.3	140.9	172.8	-63.7	172.5	0	0	0	109.3	E207 P209	L203-E207 HydrophobicContact CB-CB 4.41Å; L203-E207 HydrophobicContact CD2-CG 4.31Å; L203-P209 HydrophobicContact CD1-CB 4.19Å; L203-P209 HydrophobicContact CD1-CG 3.7Å
204	K	57.5	Low	56.4	Low	136 Å²	136	95.2 Å²	95.2	59%	0.591	56%	0.557	S	S	*	*	P	Polyproline II helix	trans	-74.2	155	170.6	-78.9	-167.7	173.2	-168.5	0	110.2	E172 G206 E207	E172-K204 PolarHBondContact O-NZ 3.36Å; K204-G206 PolarHBondContact O-N 3.06Å; K204-E207 PolarHBondContact N-OE2 2.88Å; K204-E207 WeakPolarHBondContact O-CB 3.19Å; K204-E207 PolarHBondContact O-N 3.26Å; K204-E207 VanDerWaalsContact O-N 3.11Å
205	P	43	Very low	58.3	Low	140 Å²	140	94.6 Å²	94.6	91%	0.909	56%	0.556	S	S	*	*	T	Hydrogen-bonded Turn	trans	-53.3	124.7	174.3	-25.7	35.1	0	0	0	111.4
206	G	55.9	Low	59.5	Low	81 Å²	81	91.2 Å²	91.2	84%	0.835	55%	0.547	S	S	*	.	T	Hydrogen-bonded Turn	trans	101.1	-13.2	-177.7	0	0	0	0	0	115.7	K204	K204-G206 PolarHBondContact O-N 3.06Å
207	E	63.7	Low	60.6	Low	117 Å²	117	89.6 Å²	89.6	55%	0.547	54%	0.541	S	S	.	.	P	Polyproline II helix	trans	-86	126	-174.6	-160	170.6	-152.6	0	0	112.6	L203 K204	L203-E207 HydrophobicContact CB-CB 4.41Å; L203-E207 HydrophobicContact CD2-CG 4.31Å; K204-E207 PolarHBondContact N-OE2 2.88Å; K204-E207 WeakPolarHBondContact O-CB 3.19Å; K204-E207 PolarHBondContact O-N 3.26Å; K204-E207 VanDerWaalsContact O-N 3.11Å
208	I	59.5	Low	62	Low	141 Å²	141	91 Å²	91	72%	0.723	54%	0.536	S	S	*	.	P	Polyproline II helix	trans	-85	128	-174.6	-59.5	178.8	0	0	0	110.7	I214	I208-I214 HydrophobicContact CG2-CD1 3.9Å
209	P	70.3	Confident	63.5	Low	38 Å²	38	93.6 Å²	93.6	25%	0.247	54%	0.538	C	S	.	.	P	Polyproline II helix	trans	-62.1	149.5	176.8	-18.4	27.7	0	0	0	113.6	L203 F213 I214	L203-P209 HydrophobicContact CD1-CB 4.19Å; L203-P209 HydrophobicContact CD1-CG 3.7Å; P209-F213 HydrophobicContact CB-CB 4.37Å; P209-F213 HydrophobicContact CB-CD1 3.98Å; P209-F213 HydrophobicContact CB-CG 4.44Å; P209-I214 HydrophobicContact CB-CG1 4.35Å; P209-I214 WeakPolarHBondContact O-CD1 3.49Å
210	D	71.9	Confident	64.5	Low	118 Å²	118	101 Å²	101	63%	0.631	56%	0.561	S	S	*	*	P	Polyproline II helix	trans	-52.5	147.5	177.1	173.6	48.6	0	0	0	113.6	A212 F213 I214	D210-A212 PolarHBondContact O-N 3.17Å; D210-A212 VanDerWaalsContact O-N 3.14Å; D210-A212 WeakPolarHBondContact OD2-CB 3.27Å; D210-A212 PolarHBondContact OD2-N 2.89Å; D210-F213 WeakPolarHBondContact O-CA 3.47Å; D210-F213 WeakPolarHBondContact O-CB 3.34Å; D210-F213 PolarHBondContact O-N 3.03Å; D210-I214 PolarHBondContact O-N 3.34Å; D210-I214 VanDerWaalsContact O-N 3.07Å
211	A	67.6	Low	65.1	Low	70 Å²	70	105.2 Å²	105.2	58%	0.579	57%	0.571	S	S	*	*	H	α-helix	trans	-56.6	-33.2	-175.2	0	0	0	0	0	113	F213 I214 H215	A211-F213 VanDerWaalsContact C-N 3.35Å; A211-I214 PolarHBondContact O-N 3.39Å; A211-H215 VanDerWaalsContact O-CB 3.28Å; A211-H215 WeakPolarHBondContact O-CB 3.46Å; A211-H215 PolarHBondContact O-N 3.44Å
212	A	62.3	Low	65.9	Low	67 Å²	67	104.2 Å²	104.2	55%	0.554	56%	0.557	S	S	*	*	H	α-helix	trans	-65.3	-37.9	175.2	0	0	0	0	0	112.2	D210 A216	D210-A212 PolarHBondContact O-N 3.17Å; D210-A212 VanDerWaalsContact O-N 3.14Å; D210-A212 WeakPolarHBondContact OD2-CB 3.27Å; D210-A212 PolarHBondContact OD2-N 2.89Å; A212-A216 WeakPolarHBondContact O-CB 3.32Å; A212-A216 PolarHBondContact O-N 3.49Å
213	F	75.8	Confident	66.2	Low	55 Å²	55	103.8 Å²	103.8	24%	0.241	55%	0.548	C	S	.	.	H	α-helix	trans	-69.9	-45	176.5	-168.3	-87.3	0	0	0	111.3	T196 L200 P209 D210 A211 H215 A216 A217	T196-F213 WeakPolarHBondContact O-CE2 3.41Å; L200-F213 HydrophobicContact CD1-CE1 4.31Å; L200-F213 HydrophobicContact CD1-CZ 4.02Å; L200-F213 HydrophobicContact CD2-CE1 3.8Å; L200-F213 HydrophobicContact CD2-CZ 4.05Å; L200-F213 HydrophobicContact CG-CE1 4.13Å; L200-F213 HydrophobicContact CG-CZ 3.85Å; P209-F213 HydrophobicContact CB-CB 4.37Å; P209-F213 HydrophobicContact CB-CD1 3.98Å; P209-F213 HydrophobicContact CB-CG 4.44Å; D210-F213 WeakPolarHBondContact O-CA 3.47Å; D210-F213 WeakPolarHBondContact O-CB 3.34Å; D210-F213 PolarHBondContact O-N 3.03Å; A211-F213 VanDerWaalsContact C-N 3.35Å; F213-H215 VanDerWaalsContact C-N 3.31Å; F213-H215 PolarHBondContact O-N 3.29Å; F213-A216 PolarHBondContact O-N 3.2Å; F213-A217 WeakPolarHBondContact O-CB 3.28Å; F213-A217 PolarHBondContact O-N 2.84Å
214	I	72.4	Confident	66.3	Low	64 Å²	64	103.8 Å²	103.8	33%	0.328	56%	0.557	S	S	.	*	H	α-helix	trans	-59.8	-42.7	175	-64.8	179.1	0	0	0	110.7	I208 P209 D210 A211 A217 R218	I208-I214 HydrophobicContact CG2-CD1 3.9Å; P209-I214 HydrophobicContact CB-CG1 4.35Å; P209-I214 WeakPolarHBondContact O-CD1 3.49Å; D210-I214 PolarHBondContact O-N 3.34Å; D210-I214 VanDerWaalsContact O-N 3.07Å; A211-I214 PolarHBondContact O-N 3.39Å; I214-A217 PolarHBondContact O-N 2.8Å; I214-R218 VanDerWaalsContact O-CB 3.26Å; I214-R218 WeakPolarHBondContact O-CB 3.41Å; I214-R218 PolarHBondContact O-N 3.46Å
215	H	74.3	Confident	66.7	Low	129 Å²	129	106.6 Å²	106.6	60%	0.597	56%	0.564	S	S	*	*	H	α-helix	trans	-66.6	-41.2	178	-170.9	-106.8	0	0	0	112.4	A211 F213 R218 K219	A211-H215 VanDerWaalsContact O-CB 3.28Å; A211-H215 WeakPolarHBondContact O-CB 3.46Å; A211-H215 PolarHBondContact O-N 3.44Å; F213-H215 VanDerWaalsContact C-N 3.31Å; F213-H215 PolarHBondContact O-N 3.29Å; H215-R218 PolarHBondContact O-N 3.49Å; H215-K219 WeakPolarHBondContact O-CB 3.44Å; H215-K219 PolarHBondContact O-N 2.91Å
216	A	71.2	Confident	67.5	Low	61 Å²	61	105.8 Å²	105.8	50%	0.504	55%	0.548	S	S	.	.	H	α-helix	trans	-62.5	-44.2	174.3	0	0	0	0	0	112.2	A212 F213 K219 R220	A212-A216 WeakPolarHBondContact O-CB 3.32Å; A212-A216 PolarHBondContact O-N 3.49Å; F213-A216 PolarHBondContact O-N 3.2Å; A216-K219 PolarHBondContact O-N 3.33Å; A216-R220 WeakPolarHBondContact O-CB 3.41Å; A216-R220 PolarHBondContact O-N 2.93Å
217	A	69.6	Low	67.4	Low	43 Å²	43	108.9 Å²	108.9	36%	0.355	55%	0.545	S	S	.	.	H	α-helix	trans	-64.9	-41.6	175.9	0	0	0	0	0	112.3	F213 I214 R220 R221	F213-A217 WeakPolarHBondContact O-CB 3.28Å; F213-A217 PolarHBondContact O-N 2.84Å; I214-A217 PolarHBondContact O-N 2.8Å; A217-R220 PolarHBondContact O-N 3.03Å; A217-R221 PolarHBondContact O-N 3.18Å
218	R	74.1	Confident	66.8	Low	168 Å²	168	106.6 Å²	106.6	63%	0.634	55%	0.553	S	S	*	*	H	α-helix	trans	-63.3	-45.5	175.9	-169.2	179.1	-68.9	-168.2	-1.1	111.1	I214 H215 R220 R221 Q222	I214-R218 VanDerWaalsContact O-CB 3.26Å; I214-R218 WeakPolarHBondContact O-CB 3.41Å; I214-R218 PolarHBondContact O-N 3.46Å; H215-R218 PolarHBondContact O-N 3.49Å; R218-R220 VanDerWaalsContact C-N 3.35Å; R218-R220 PolarHBondContact O-N 2.88Å; R218-R221 PolarHBondContact O-N 2.82Å; R218-Q222 WeakPolarHBondContact O-CB 3.39Å; R218-Q222 PolarHBondContact O-N 2.94Å
219	K	81.7	Confident	66	Low	132 Å²	132	103.1 Å²	103.1	57%	0.574	55%	0.552	S	S	*	*	H	α-helix	trans	-63.2	-37.1	175.3	-170.2	169.6	-176.4	174	0	112.5	H215 A216 Q222 L223	H215-K219 WeakPolarHBondContact O-CB 3.44Å; H215-K219 PolarHBondContact O-N 2.91Å; A216-K219 PolarHBondContact O-N 3.33Å; K219-Q222 PolarHBondContact O-N 2.99Å; K219-L223 HydrophobicContact CG-CD1 4.4Å; K219-L223 WeakPolarHBondContact O-CG 3.36Å; K219-L223 PolarHBondContact O-N 3.42Å
220	R	66.5	Low	64.3	Low	188 Å²	188	110.8 Å²	110.8	71%	0.709	58%	0.584	S	S	*	*	H	α-helix	trans	-67.1	-41.4	174.5	-168.2	173.4	-174	160.5	2.6	112.5	A216 A217 R218 Q222 A224	A216-R220 WeakPolarHBondContact O-CB 3.41Å; A216-R220 PolarHBondContact O-N 2.93Å; A217-R220 PolarHBondContact O-N 3.03Å; R218-R220 VanDerWaalsContact C-N 3.35Å; R218-R220 PolarHBondContact O-N 2.88Å; R220-Q222 VanDerWaalsContact C-N 3.31Å; R220-A224 WeakPolarHBondContact O-CB 3.15Å; R220-A224 PolarHBondContact O-N 2.95Å
221	R	65.6	Low	62.6	Low	181 Å²	181	109.7 Å²	109.7	68%	0.683	59%	0.591	S	S	*	*	H	α-helix	trans	-65.6	-32.7	172.5	-73.1	-177.1	-177.6	173.2	1.9	112.5	A217 R218 R225	A217-R221 PolarHBondContact O-N 3.18Å; R218-R221 PolarHBondContact O-N 2.82Å; R221-R225 WeakPolarHBondContact O-CG 3.33Å; R221-R225 PolarHBondContact O-N 3.19Å
222	Q	71.3	Confident	61.1	Low	100 Å²	100	112 Å²	112	47%	0.467	60%	0.6	S	S	.	*	H	α-helix	trans	-71.6	-46.9	176.4	179.9	157.5	-13	0	0	111.8	R218 K219 R220 A224 R225 E226	R218-Q222 WeakPolarHBondContact O-CB 3.39Å; R218-Q222 PolarHBondContact O-N 2.94Å; K219-Q222 PolarHBondContact O-N 2.99Å; R220-Q222 VanDerWaalsContact C-N 3.31Å; Q222-A224 PolarHBondContact O-N 2.84Å; Q222-R225 WeakPolarHBondContact O-CA 3.43Å; Q222-R225 WeakPolarHBondContact O-CB 3.28Å; Q222-R225 PolarHBondContact O-N 3.16Å; Q222-E226 HydrophobicContact CG-CG 4.36Å; Q222-E226 WeakPolarHBondContact CG-OE1 3.32Å; Q222-E226 PolarHBondContact NE2-OE1 2.93Å; Q222-E226 WeakPolarHBondContact O-CG 3.14Å; Q222-E226 PolarHBondContact O-N 3.21Å
223	L	61.1	Low	59.6	Low	85 Å²	85	115.4 Å²	115.4	45%	0.445	61%	0.609	S	S	.	*	H	α-helix	trans	-57.1	-36.9	172.1	-74.7	165.8	0	0	0	112.5	K219 R225 E226 L227	K219-L223 HydrophobicContact CG-CD1 4.4Å; K219-L223 WeakPolarHBondContact O-CG 3.36Å; K219-L223 PolarHBondContact O-N 3.42Å; L223-R225 VanDerWaalsContact C-N 3.3Å; L223-R225 PolarHBondContact O-N 3.48Å; L223-E226 PolarHBondContact O-N 3.49Å; L223-L227 WeakPolarHBondContact O-CD1 3.37Å; L223-L227 PolarHBondContact O-N 3Å
224	A	57.6	Low	57.6	Low	66 Å²	66	119.2 Å²	119.2	55%	0.545	64%	0.636	S	S	.	*	H	α-helix	trans	-67.4	-26.7	175.2	0	0	0	0	0	113.8	R220 Q222	R220-A224 WeakPolarHBondContact O-CB 3.15Å; R220-A224 PolarHBondContact O-N 2.95Å; Q222-A224 PolarHBondContact O-N 2.84Å
225	R	65	Low	55.5	Low	194 Å²	194	119.1 Å²	119.1	73%	0.732	63%	0.634	S	S	*	*	H	α-helix	trans	-81	-39.7	172.6	-68	162.8	-179.7	171.4	-4.7	111.4	R221 Q222 L223 L227 G228	R221-R225 WeakPolarHBondContact O-CG 3.33Å; R221-R225 PolarHBondContact O-N 3.19Å; Q222-R225 WeakPolarHBondContact O-CA 3.43Å; Q222-R225 WeakPolarHBondContact O-CB 3.28Å; Q222-R225 PolarHBondContact O-N 3.16Å; L223-R225 VanDerWaalsContact C-N 3.3Å; L223-R225 PolarHBondContact O-N 3.48Å; R225-L227 PolarHBondContact O-N 3.28Å; R225-G228 PolarHBondContact O-N 2.77Å; R225-G228 VanDerWaalsContact O-N 3.1Å
226	E	59.9	Low	53.7	Low	123 Å²	123	117.1 Å²	117.1	58%	0.575	64%	0.64	S	S	*	*	H	α-helix	trans	-66.4	-22	177.1	-70.9	165.5	-179.7	0	0	112.6	Q222 L223	Q222-E226 HydrophobicContact CG-CG 4.36Å; Q222-E226 WeakPolarHBondContact CG-OE1 3.32Å; Q222-E226 PolarHBondContact NE2-OE1 2.93Å; Q222-E226 WeakPolarHBondContact O-CG 3.14Å; Q222-E226 PolarHBondContact O-N 3.21Å; L223-E226 PolarHBondContact O-N 3.49Å
227	L	54.3	Low	51.6	Low	147 Å²	147	121.4 Å²	121.4	77%	0.77	65%	0.65	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.3	-4.3	170.8	-100.5	93	0	0	0	115.5	L223 R225	L223-L227 WeakPolarHBondContact O-CD1 3.37Å; L223-L227 PolarHBondContact O-N 3Å; R225-L227 PolarHBondContact O-N 3.28Å
228	G	50.1	Low	49.9	Very low	69 Å²	69	123.6 Å²	123.6	71%	0.711	66%	0.66	S	S	*	*	T	Hydrogen-bonded Turn	trans	60.2	64.4	166.8	0	0	0	0	0	116.5	R225	R225-G228 PolarHBondContact O-N 2.77Å; R225-G228 VanDerWaalsContact O-N 3.1Å
229	G	43.3	Very low	47.9	Very low	68 Å²	68	119.5 Å²	119.5	70%	0.701	66%	0.658	S	S	*	*			trans	-128.5	125.7	170.4	0	0	0	0	0	112.3
230	E	35.2	Very low	45.5	Very low	199 Å²	199	121.7 Å²	121.7	93%	0.93	67%	0.667	S	S	*	*	P	Polyproline II helix	trans	-71.2	142.3	171.3	-64.3	179.8	141.4	0	0	110.3
231	A	36.8	Very low	44	Very low	94 Å²	94	122.3 Å²	122.3	78%	0.777	68%	0.675	S	S	*	*	P	Polyproline II helix	trans	-85.1	127.4	178.8	0	0	0	0	0	110.4
232	P	36.1	Very low	42.1	Very low	119 Å²	119	124 Å²	124	77%	0.773	68%	0.681	S	S	*	*	P	Polyproline II helix	trans	-61.2	138.5	173.4	-23.7	34.6	0	0	0	112.1
233	L	30.1	Very low	40	Very low	139 Å²	139	126.4 Å²	126.4	73%	0.728	69%	0.694	S	S	*	*	P	Polyproline II helix	trans	-64	132.5	168.6	-175	65.6	0	0	0	109.5	E235	L233-E235 HydrophobicContact CD2-CG 3.82Å; L233-E235 HydrophobicContact CG-CG 4.07Å; L233-E235 PolarHBondContact O-N 2.98Å
234	V	33.6	Very low	38.3	Very low	135 Å²	135	128.4 Å²	128.4	82%	0.818	71%	0.71	S	S	*	*			trans	-97.9	84.3	172.3	-178.3	0	0	0	0	108.1
235	E	27.6	Very low	37	Very low	61 Å²	61	133.1 Å²	133.1	29%	0.285	72%	0.721	S	S	.	*			trans	-67.7	135.5	163.7	-67.1	164	179.5	0	0	108.5	L233 Q405	L233-E235 HydrophobicContact CD2-CG 3.82Å; L233-E235 HydrophobicContact CG-CG 4.07Å; L233-E235 PolarHBondContact O-N 2.98Å; E235-Q405 PolarHBondContact OE2-NE2 2.84Å
236	A	37.5	Very low	35.3	Very low	88 Å²	88	130.9 Å²	130.9	73%	0.727	72%	0.719	S	S	*	*			trans	-100.2	85	-177.7	0	0	0	0	0	110.5	P238	A236-P238 VanDerWaalsContact O-CD 3.3Å; A236-P238 WeakPolarHBondContact O-CD 3.34Å
237	E	26.4	Very low	34	Very low	150 Å²	150	130.8 Å²	130.8	70%	0.701	72%	0.722	S	S	*	*			trans	-56.9	119.1	179.6	-110.3	-78.2	-161.6	0	0	111.9
238	P	34.9	Very low	33	Very low	90 Å²	90	133.5 Å²	133.5	58%	0.584	72%	0.722	S	S	*	*			trans	-101.1	-175	-173.7	39.4	-36.3	0	0	0	113.5	A236	A236-P238 VanDerWaalsContact O-CD 3.3Å; A236-P238 WeakPolarHBondContact O-CD 3.34Å
239	S	30.7	Very low	32.4	Very low	82 Å²	82	137.4 Å²	137.4	57%	0.573	73%	0.727	S	S	*	*			trans	80.5	164.6	158.9	85.6	0	0	0	0	117
240	K	32.3	Very low	31.8	Very low	178 Å²	178	140 Å²	140	77%	0.774	73%	0.733	S	S	*	*			cis	-158.2	170.4	16.3	-145	153	-112.2	124.3	0	111.7
241	K	33.9	Very low	31.7	Very low	201 Å²	201	135.6 Å²	135.6	87%	0.874	72%	0.724	S	S	*	*			trans	80.3	119.5	178.4	-50.8	172.4	-174.7	175.6	0	114.3
242	R	26.7	Very low	31.5	Very low	216 Å²	216	137.8 Å²	137.8	82%	0.815	72%	0.722	S	S	*	*			cis	92.4	108.3	9.3	-158.3	-176.9	-179.8	172.1	5.8	117.8
243	M	26.3	Very low	31.4	Very low	151 Å²	151	138.1 Å²	138.1	74%	0.744	72%	0.718	S	S	*	*			trans	83.4	155.5	148.4	-83.5	170.9	135.8	0	0	122.7
244	T	26.7	Very low	31.6	Very low	127 Å²	127	139.8 Å²	139.8	78%	0.779	72%	0.722	S	S	*	*			trans	82.8	98.1	162.6	24.3	0	0	0	0	121.2
245	Q	28.7	Very low	31.8	Very low	164 Å²	164	140.5 Å²	140.5	77%	0.766	72%	0.721	S	S	*	*				96.5	161.9	119	-153	152.8	12.4	0	0	120.9
246	E	31.1	Very low	32.2	Very low	148 Å²	148	144.8 Å²	144.8	69%	0.692	74%	0.741	S	S	*	*			trans	-86.6	168.6	-156.1	-55.4	141.4	125.1	0	0	115.3
247	D	32.5	Very low	32.4	Very low	120 Å²	120	148 Å²	148	64%	0.642	75%	0.746	S	S	*	*			trans	68.4	117.5	149.2	-89.9	31.9	0	0	0	122.7
248	R	33.4	Very low	33.2	Very low	205 Å²	205	149.3 Å²	149.3	77%	0.774	75%	0.752	S	S	*	*			trans	85.6	111.8	138	-62	172.1	-153.2	-159.1	3.4	122.7
249	D	36.4	Very low	33.7	Very low	150 Å²	150	152.5 Å²	152.5	80%	0.802	76%	0.757	S	S	*	*				44.4	99.8	116.3	-52.2	-10	0	0	0	121.5
250	C	31.9	Very low	34.1	Very low	124 Å²	124	158.8 Å²	158.8	84%	0.838	77%	0.768	S	S	*	*			trans	-168.9	141.3	134.7	-91.3	0	0	0	0	107.1
251	S	31.3	Very low	34.3	Very low	105 Å²	105	158.2 Å²	158.2	73%	0.734	77%	0.772	S	S	*	*				64.1	122	57.3	-171.3	0	0	0	0	111.9
252	D	34.1	Very low	34.3	Very low	140 Å²	140	158.7 Å²	158.7	75%	0.749	77%	0.768	S	S	*	*			cis	-155.5	-172.1	-4.3	-140.2	-29.2	0	0	0	111.1
253	D	32.7	Very low	34.7	Very low	127 Å²	127	158.9 Å²	158.9	68%	0.679	78%	0.775	S	S	*	*			trans	75.6	105.1	158.6	-64.4	-23.9	0	0	0	121.4
254	E	35.3	Very low	35.1	Very low	173 Å²	173	156.9 Å²	156.9	81%	0.808	78%	0.776	S	S	*	*				67.6	133.8	128.5	-56.9	-168.8	149.5	0	0	124.6
255	D	36.7	Very low	35.5	Very low	150 Å²	150	154.1 Å²	154.1	80%	0.802	77%	0.773	S	S	*	*			trans	61.7	91.2	150.9	-65.4	1.3	0	0	0	123.8
256	E	37.4	Very low	36.2	Very low	151 Å²	151	152.8 Å²	152.8	71%	0.706	78%	0.776	S	S	*	*			trans	-142	61.5	141.7	-155.8	-162.5	-164.5	0	0	113	E258 K259	E256-E258 VanDerWaalsContact C-N 3.34Å; E256-E258 PolarHBondContact O-N 2.7Å; E256-K259 IonicContact OE1-NZ 3.65Å; E256-K259 PolarHBondContact OE1-NZ 2.98Å; E256-K259 IonicContact OE2-NZ 2.69Å; E256-K259 PolarHBondContact OE2-NZ 3.17Å
257	D	41.1	Very low	36.6	Very low	155 Å²	155	154.8 Å²	154.8	83%	0.829	78%	0.782	S	S	*	*			trans	-81.4	60.7	-176.7	-162.1	15.3	0	0	0	114
258	E	43.7	Very low	37.4	Very low	178 Å²	178	156.1 Å²	156.1	83%	0.832	79%	0.789	S	S	*	*			trans	-140.9	22	179.9	-139.8	175.6	-138.6	0	0	117.8	E256	E256-E258 VanDerWaalsContact C-N 3.34Å; E256-E258 PolarHBondContact O-N 2.7Å
259	K	43.9	Very low	38.3	Very low	157 Å²	157	151.6 Å²	151.6	68%	0.683	78%	0.775	S	S	*	*			trans	-123.1	34.8	177.1	-60.2	-170.2	-170.5	69.2	0	116	E256	E256-K259 IonicContact OE1-NZ 3.65Å; E256-K259 PolarHBondContact OE1-NZ 2.98Å; E256-K259 IonicContact OE2-NZ 2.69Å; E256-K259 PolarHBondContact OE2-NZ 3.17Å
260	R	39.5	Very low	39.7	Very low	214 Å²	214	148.3 Å²	148.3	81%	0.808	76%	0.764	S	S	*	*			trans	-108.4	90.3	171.4	-177.2	176.5	-81.8	156.5	-5	112.6	R262	R260-R262 PolarHBondContact O-N 2.63Å
261	I	36.7	Very low	40.4	Very low	167 Å²	167	149.9 Å²	149.9	86%	0.856	76%	0.759	S	S	*	*			trans	-70.3	125	171.3	-63.4	179.6	0	0	0	110.1
262	R	35	Very low	41.4	Very low	211 Å²	211	154.9 Å²	154.9	80%	0.796	76%	0.762	S	S	*	*			trans	-88.9	135.6	177.4	-64.4	-178.3	179.4	-169.5	0.5	111.6	R260 S264	R260-R262 PolarHBondContact O-N 2.63Å; R262-S264 PolarHBondContact O-N 3.01Å
263	F	35.4	Very low	42.6	Very low	219 Å²	219	153.1 Å²	153.1	96%	0.961	75%	0.749	S	S	*	*			trans	-79.3	95.7	161.7	-103.3	-103.1	0	0	0	110.4
264	S	33	Very low	44	Very low	110 Å²	110	153.3 Å²	153.3	77%	0.769	74%	0.744	S	S	*	*			trans	-178.1	149	157.9	31.4	0	0	0	0	112.4	R262	R262-S264 PolarHBondContact O-N 3.01Å
265	G	35.9	Very low	45	Very low	69 Å²	69	148.9 Å²	148.9	71%	0.711	73%	0.725	S	S	*	*			trans	105.4	81.9	166.4	0	0	0	0	0	115.3	K267	G265-K267 PolarHBondContact O-N 3.1Å
266	V	42.3	Very low	46	Very low	136 Å²	136	143.9 Å²	143.9	82%	0.824	71%	0.705	S	S	*	*			trans	-63.7	104.9	164.9	177.4	0	0	0	0	109
267	K	41.2	Very low	47.1	Very low	189 Å²	189	141.6 Å²	141.6	82%	0.822	69%	0.694	S	S	*	*			trans	-104.6	120.4	163.2	-73.3	-176.8	178.8	176.5	0	108.3	G265 K269	G265-K267 PolarHBondContact O-N 3.1Å; K267-K269 PolarHBondContact O-N 3Å
268	N	48.5	Very low	47.6	Very low	149 Å²	149	142 Å²	142	80%	0.797	69%	0.691	S	S	*	*			trans	-70.2	90	-179.6	-61.2	-15.3	0	0	0	109.6	S270	N268-S270 PolarHBondContact O-N 3.19Å; N268-S270 VanDerWaalsContact O-N 3.17Å
269	K	53.1	Low	48.1	Very low	109 Å²	109	139.1 Å²	139.1	47%	0.474	68%	0.68	S	S	.	*			trans	-52.5	123.7	170.3	-74.8	-161.2	-172.8	-171.1	0	108.2	K267 E277	K267-K269 PolarHBondContact O-N 3Å; K269-E277 IonicContact NZ-OE1 3.74Å; K269-E277 PolarHBondContact NZ-OE1 3.34Å; K269-E277 IonicContact NZ-OE2 3.8Å; K269-E277 PolarHBondContact NZ-OE2 2.88Å
270	S	64.5	Low	48.2	Very low	81 Å²	81	134.7 Å²	134.7	57%	0.566	68%	0.679	S	S	*	*			trans	-60.5	145.3	175.8	180	0	0	0	0	109.8	N268 R272 Q273 K274	N268-S270 PolarHBondContact O-N 3.19Å; N268-S270 VanDerWaalsContact O-N 3.17Å; S270-R272 PolarHBondContact O-N 2.89Å; S270-Q273 WeakPolarHBondContact O-CB 3.47Å; S270-Q273 PolarHBondContact O-N 3.25Å; S270-K274 PolarHBondContact O-N 3.46Å
271	Q	47.9	Very low	49.1	Very low	157 Å²	157	131.1 Å²	131.1	73%	0.734	67%	0.674	S	S	*	*	H	α-helix	trans	-55.5	-31.4	-176.3	-170.2	170.1	-4.3	0	0	112.5	Q273 K274 I275	Q271-Q273 VanDerWaalsContact C-N 3.29Å; Q271-Q273 PolarHBondContact O-N 3.27Å; Q271-K274 PolarHBondContact O-N 3.34Å; Q271-I275 HydrophobicContact CG-CD1 4.17Å; Q271-I275 WeakPolarHBondContact O-CD1 3.48Å; Q271-I275 WeakPolarHBondContact O-CG1 3.44Å; Q271-I275 PolarHBondContact O-N 3.07Å
272	R	51.7	Low	49.3	Very low	210 Å²	210	132 Å²	132	79%	0.792	68%	0.675	S	S	*	*	H	α-helix	trans	-64.3	-27.3	174.8	-164	178.3	-170.6	-82.5	-0.5	114	S270 A276	S270-R272 PolarHBondContact O-N 2.89Å; R272-A276 PolarHBondContact O-N 2.97Å
273	Q	59.9	Low	49.4	Very low	103 Å²	103	125.2 Å²	125.2	48%	0.481	67%	0.671	S	S	.	*	H	α-helix	trans	-82.1	-38.3	179.8	-169.8	173.3	9.8	0	0	111.9	S270 Q271 I275 A276 E277	S270-Q273 WeakPolarHBondContact O-CB 3.47Å; S270-Q273 PolarHBondContact O-N 3.25Å; Q271-Q273 VanDerWaalsContact C-N 3.29Å; Q271-Q273 PolarHBondContact O-N 3.27Å; Q273-I275 VanDerWaalsContact C-N 3.31Å; Q273-I275 PolarHBondContact O-N 3.44Å; Q273-A276 PolarHBondContact O-N 2.92Å; Q273-E277 PolarHBondContact O-N 2.95Å
274	K	60.9	Low	49.3	Very low	131 Å²	131	120.3 Å²	120.3	57%	0.57	66%	0.664	S	S	*	*	H	α-helix	trans	-59.4	-43.1	170.8	-86.7	-162.9	167.1	-161.1	0	112	S270 Q271 A276 E277 E278	S270-K274 PolarHBondContact O-N 3.46Å; Q271-K274 PolarHBondContact O-N 3.34Å; K274-A276 VanDerWaalsContact C-N 3.28Å; K274-A276 PolarHBondContact O-N 2.96Å; K274-E277 PolarHBondContact O-N 3.46Å; K274-E278 VanDerWaalsContact O-CB 3.28Å; K274-E278 WeakPolarHBondContact O-CB 3.3Å; K274-E278 PolarHBondContact O-N 2.91Å
275	I	55.7	Low	49.1	Very low	81 Å²	81	123.3 Å²	123.3	42%	0.415	67%	0.671	S	S	.	*	H	α-helix	trans	-63.9	-32.5	179.4	-67.2	166	0	0	0	111.8	Q271 Q273 I279	Q271-I275 HydrophobicContact CG-CD1 4.17Å; Q271-I275 WeakPolarHBondContact O-CD1 3.48Å; Q271-I275 WeakPolarHBondContact O-CG1 3.44Å; Q271-I275 PolarHBondContact O-N 3.07Å; Q273-I275 VanDerWaalsContact C-N 3.31Å; Q273-I275 PolarHBondContact O-N 3.44Å; I275-I279 HydrophobicContact CG2-CD1 3.59Å; I275-I279 HydrophobicContact CG2-CG1 4.36Å; I275-I279 VanDerWaalsContact O-CB 3.32Å; I275-I279 WeakPolarHBondContact O-CB 3.38Å; I275-I279 VanDerWaalsContact O-CG1 3.27Å; I275-I279 WeakPolarHBondContact O-CG1 3.49Å; I275-I279 PolarHBondContact O-N 3.3Å
276	A	59.5	Low	49.1	Very low	45 Å²	45	126.6 Å²	126.6	37%	0.372	67%	0.672	S	S	.	*	H	α-helix	trans	-70	-42	175.2	0	0	0	0	0	112.5	R272 Q273 K274 G280 I281	R272-A276 PolarHBondContact O-N 2.97Å; Q273-A276 PolarHBondContact O-N 2.92Å; K274-A276 VanDerWaalsContact C-N 3.28Å; K274-A276 PolarHBondContact O-N 2.96Å; A276-G280 PolarHBondContact O-N 3.4Å; A276-I281 PolarHBondContact O-N 2.9Å
277	E	58.8	Low	49	Very low	102 Å²	102	129.4 Å²	129.4	48%	0.477	68%	0.676	S	S	.	*	H	α-helix	trans	-64.8	-38.4	174.4	-69.5	164.4	-169.1	0	0	111.5	K269 Q273 K274	K269-E277 IonicContact NZ-OE1 3.74Å; K269-E277 PolarHBondContact NZ-OE1 3.34Å; K269-E277 IonicContact NZ-OE2 3.8Å; K269-E277 PolarHBondContact NZ-OE2 2.88Å; Q273-E277 PolarHBondContact O-N 2.95Å; K274-E277 PolarHBondContact O-N 3.46Å
278	E	51.8	Low	48.7	Very low	165 Å²	165	125.1 Å²	125.1	77%	0.771	68%	0.676	S	S	*	*	H	α-helix	trans	-79.8	-20.7	-177.6	-168	168.4	-173.2	0	0	113.9	K274	K274-E278 VanDerWaalsContact O-CB 3.28Å; K274-E278 WeakPolarHBondContact O-CB 3.3Å; K274-E278 PolarHBondContact O-N 2.91Å
279	I	55.2	Low	48.3	Very low	117 Å²	117	126.6 Å²	126.6	60%	0.6	68%	0.683	S	S	*	*	H	α-helix	trans	-92.8	-6.1	174.5	-67.9	176.4	0	0	0	112	I275 I281	I275-I279 HydrophobicContact CG2-CD1 3.59Å; I275-I279 HydrophobicContact CG2-CG1 4.36Å; I275-I279 VanDerWaalsContact O-CB 3.32Å; I275-I279 WeakPolarHBondContact O-CB 3.38Å; I275-I279 VanDerWaalsContact O-CG1 3.27Å; I275-I279 WeakPolarHBondContact O-CG1 3.49Å; I275-I279 PolarHBondContact O-N 3.3Å; I279-I281 HydrophobicContact CG2-CD1 4.27Å; I279-I281 HydrophobicContact CG2-CG1 4.29Å
280	G	45.5	Very low	47.3	Very low	64 Å²	64	128.6 Å²	128.6	66%	0.66	70%	0.699	S	S	*	*	T	Hydrogen-bonded Turn	trans	76.9	30.7	172.3	0	0	0	0	0	114.8	A276 E282	A276-G280 PolarHBondContact O-N 3.4Å; G280-E282 PolarHBondContact O-N 2.86Å
281	I	58.6	Low	46.3	Very low	138 Å²	138	131.1 Å²	131.1	71%	0.708	71%	0.711	S	S	*	*			trans	-99.5	77	172.2	-52.1	178.2	0	0	0	108.7	A276 I279	A276-I281 PolarHBondContact O-N 2.9Å; I279-I281 HydrophobicContact CG2-CD1 4.27Å; I279-I281 HydrophobicContact CG2-CG1 4.29Å
282	E	40.2	Very low	45.9	Very low	186 Å²	186	127.1 Å²	127.1	87%	0.869	71%	0.711	S	S	*	*			trans	-96.3	156.4	166.1	-166.1	154.7	-133.1	0	0	109.8	G280	G280-E282 PolarHBondContact O-N 2.86Å
283	G	37	Very low	45.8	Very low	69 Å²	69	125.5 Å²	125.5	71%	0.711	71%	0.713	S	S	*	*			trans	-62.4	136.8	-169.4	0	0	0	0	0	113.4
284	S	34.1	Very low	45.6	Very low	116 Å²	116	125.2 Å²	125.2	81%	0.811	72%	0.715	S	S	*	*				91.9	93.8	57.7	179.6	0	0	0	0	111.5
285	D	29.7	Very low	45.7	Very low	173 Å²	173	123.9 Å²	123.9	93%	0.925	71%	0.711	S	S	*	*			trans	-121.4	140.9	145.4	-165.9	13.8	0	0	0	107.2
286	D	35.7	Very low	46	Very low	137 Å²	137	127.1 Å²	127.1	73%	0.733	72%	0.724	S	S	*	*			trans	-138.1	85	-157.7	-178.4	26.3	0	0	0	112.3
287	E	39	Very low	46.2	Very low	196 Å²	196	129.1 Å²	129.1	92%	0.916	73%	0.731	S	S	*	*			trans	-156.9	76.3	158.3	-130.7	178.8	-134.9	0	0	112.7
288	A	36.2	Very low	46.8	Very low	98 Å²	98	127.1 Å²	127.1	81%	0.81	73%	0.729	S	S	*	*			trans	-147.6	77.4	172.2	0	0	0	0	0	112.7	D290	A288-D290 PolarHBondContact O-N 2.99Å
289	L	38.3	Very low	47.9	Very low	180 Å²	180	126.9 Å²	126.9	94%	0.942	72%	0.721	S	S	*	*			trans	-74.1	116.2	174.3	-62.9	171.9	0	0	0	111.7
290	D	33.9	Very low	48.7	Very low	151 Å²	151	129.1 Å²	129.1	81%	0.807	72%	0.722	S	S	*	*				-164.3	170.1	110	-154.9	-3.7	0	0	0	111	A288	A288-D290 PolarHBondContact O-N 2.99Å
291	T	42.1	Very low	49.9	Very low	135 Å²	135	131.4 Å²	131.4	83%	0.828	72%	0.715	S	S	*	*			trans	-92.7	134.3	-164.5	52.4	0	0	0	0	113.9
292	G	40.3	Very low	50.5	Low	72 Å²	72	130.6 Å²	130.6	74%	0.742	71%	0.708	S	S	*	*			trans	-151	87.6	178	0	0	0	0	0	111.4	D294	G292-D294 PolarHBondContact O-N 3.29Å; G292-D294 VanDerWaalsContact O-N 3.15Å
293	Q	50.4	Low	51.9	Low	176 Å²	176	125.4 Å²	125.4	82%	0.822	68%	0.684	S	S	*	*			trans	-64.4	106.4	-174.7	177.2	-178.6	-30.8	0	0	112.4
294	D	53.7	Low	53.1	Low	97 Å²	97	126.6 Å²	126.6	52%	0.519	67%	0.671	S	S	.	*			trans	-95.6	107.4	179.7	-169.2	-0.6	0	0	0	112.8	G292 E296	G292-D294 PolarHBondContact O-N 3.29Å; G292-D294 VanDerWaalsContact O-N 3.15Å; D294-E296 VanDerWaalsContact C-N 3.35Å; D294-E296 WeakPolarHBondContact OD1-CA 3.47Å; D294-E296 WeakPolarHBondContact OD1-CB 3.28Å; D294-E296 PolarHBondContact OD1-N 3.42Å
295	E	63.6	Low	54.4	Low	103 Å²	103	125.8 Å²	125.8	48%	0.481	66%	0.657	S	S	.	*	H	α-helix	trans	-76.9	-17.5	173.1	-66.4	-166.8	178.7	0	0	113.7	S298 R299	E295-S298 PolarHBondContact O-N 3.09Å; E295-R299 WeakPolarHBondContact O-CD 3.48Å; E295-R299 VanDerWaalsContact O-CG 3.24Å; E295-R299 WeakPolarHBondContact O-CG 3.5Å; E295-R299 PolarHBondContact O-N 2.89Å; E295-R299 IonicContact OE2-CZ 2.73Å; E295-R299 IonicContact OE2-NE 3.62Å; E295-R299 PolarHBondContact OE2-NE 3.48Å; E295-R299 IonicContact OE2-NH2 3.58Å; E295-R299 PolarHBondContact OE2-NH2 3.07Å
296	E	62.2	Low	55.9	Low	150 Å²	150	125.2 Å²	125.2	70%	0.701	64%	0.642	S	S	*	*	H	α-helix	trans	-68	-39.9	-173.5	-166.3	161.4	-166.4	0	0	111.2	D294 R299 W300	D294-E296 VanDerWaalsContact C-N 3.35Å; D294-E296 WeakPolarHBondContact OD1-CA 3.47Å; D294-E296 WeakPolarHBondContact OD1-CB 3.28Å; D294-E296 PolarHBondContact OD1-N 3.42Å; E296-R299 PolarHBondContact O-N 3.34Å; E296-W300 WeakPolarHBondContact O-CB 3.48Å; E296-W300 PolarHBondContact O-N 3.14Å
297	V	64.8	Low	57.2	Low	86 Å²	86	125.6 Å²	125.6	52%	0.521	64%	0.637	S	S	.	*	H	α-helix	trans	-61.6	-45.8	174.3	-178.1	0	0	0	0	111.8	R299 W300 E301	V297-R299 VanDerWaalsContact C-N 3.33Å; V297-R299 PolarHBondContact O-N 3.01Å; V297-W300 WeakPolarHBondContact O-CB 3.22Å; V297-W300 PolarHBondContact O-N 3.18Å; V297-E301 PolarHBondContact O-N 3.45Å
298	S	70.5	Confident	57.9	Low	61 Å²	61	119.6 Å²	119.6	43%	0.427	63%	0.628	S	S	.	*	H	α-helix	trans	-64.7	-36.4	177.5	-76	0	0	0	0	112.5	E295 Q302	E295-S298 PolarHBondContact O-N 3.09Å; S298-Q302 WeakPolarHBondContact O-CB 3.16Å; S298-Q302 VanDerWaalsContact O-CG 3.24Å; S298-Q302 WeakPolarHBondContact O-CG 3.34Å; S298-Q302 PolarHBondContact O-N 3.2Å
299	R	74.5	Confident	58.5	Low	159 Å²	159	121 Å²	121	60%	0.6	62%	0.62	S	S	*	*	H	α-helix	trans	-67.7	-40.8	174	-70.4	163.4	-174.8	-106.6	4	110.9	E295 E296 V297 Q302 E303	E295-R299 WeakPolarHBondContact O-CD 3.48Å; E295-R299 VanDerWaalsContact O-CG 3.24Å; E295-R299 WeakPolarHBondContact O-CG 3.5Å; E295-R299 PolarHBondContact O-N 2.89Å; E295-R299 IonicContact OE2-CZ 2.73Å; E295-R299 IonicContact OE2-NE 3.62Å; E295-R299 PolarHBondContact OE2-NE 3.48Å; E295-R299 IonicContact OE2-NH2 3.58Å; E295-R299 PolarHBondContact OE2-NH2 3.07Å; E296-R299 PolarHBondContact O-N 3.34Å; V297-R299 VanDerWaalsContact C-N 3.33Å; V297-R299 PolarHBondContact O-N 3.01Å; R299-Q302 PolarHBondContact O-N 3.09Å; R299-E303 WeakPolarHBondContact O-CB 3.35Å; R299-E303 PolarHBondContact O-N 3.26Å
300	W	71.6	Confident	58.6	Low	165 Å²	165	117.3 Å²	117.3	63%	0.625	61%	0.609	S	S	*	*	H	α-helix	trans	-62.6	-49.1	178	-174.8	93.3	0	0	0	112.2	E296 V297 Q302 E303 Q304	E296-W300 WeakPolarHBondContact O-CB 3.48Å; E296-W300 PolarHBondContact O-N 3.14Å; V297-W300 WeakPolarHBondContact O-CB 3.22Å; V297-W300 PolarHBondContact O-N 3.18Å; W300-Q302 PolarHBondContact O-N 3.03Å; W300-E303 PolarHBondContact O-N 2.95Å; W300-Q304 HydrophobicContact CD2-CG 4.34Å; W300-Q304 HydrophobicContact CE3-CG 4.34Å; W300-Q304 HydrophobicContact CH2-CG 4.32Å; W300-Q304 HydrophobicContact CZ2-CG 4.31Å; W300-Q304 HydrophobicContact CZ3-CG 4.33Å; W300-Q304 WeakPolarHBondContact O-CG 3.35Å; W300-Q304 PolarHBondContact O-N 2.83Å; W300-Q304 VanDerWaalsContact O-N 3.1Å
301	E	70.9	Confident	58.8	Low	111 Å²	111	117.6 Å²	117.6	52%	0.519	61%	0.609	S	S	.	*	H	α-helix	trans	-57	-47.9	175.3	-77.4	-162.5	116.6	0	0	111.9	V297 E303 Q304 I305	V297-E301 PolarHBondContact O-N 3.45Å; E301-E303 PolarHBondContact O-N 3.13Å; E301-Q304 PolarHBondContact O-N 3.43Å; E301-I305 VanDerWaalsContact O-CG1 3.29Å; E301-I305 WeakPolarHBondContact O-CG1 3.49Å; E301-I305 PolarHBondContact O-N 3.31Å
302	Q	71.1	Confident	58.9	Low	121 Å²	121	116.8 Å²	116.8	57%	0.565	61%	0.606	S	S	*	*	H	α-helix	trans	-65.1	-29.3	-178.3	-70.4	174.3	18.7	0	0	112.4	S298 R299 W300 R306	S298-Q302 WeakPolarHBondContact O-CB 3.16Å; S298-Q302 VanDerWaalsContact O-CG 3.24Å; S298-Q302 WeakPolarHBondContact O-CG 3.34Å; S298-Q302 PolarHBondContact O-N 3.2Å; R299-Q302 PolarHBondContact O-N 3.09Å; W300-Q302 PolarHBondContact O-N 3.03Å; Q302-R306 VanDerWaalsContact O-CB 3.29Å; Q302-R306 WeakPolarHBondContact O-CB 3.46Å; Q302-R306 PolarHBondContact O-N 3.32Å
303	E	69.8	Low	58.5	Low	77 Å²	77	122.9 Å²	122.9	36%	0.36	62%	0.615	S	S	.	*	H	α-helix	trans	-77.6	-29.6	176.3	-151.4	57.1	-151.6	0	0	112.9	R299 W300 E301 R306 K307	R299-E303 WeakPolarHBondContact O-CB 3.35Å; R299-E303 PolarHBondContact O-N 3.26Å; W300-E303 PolarHBondContact O-N 2.95Å; E301-E303 PolarHBondContact O-N 3.13Å; E303-R306 WeakPolarHBondContact OE1-CD 3.05Å; E303-R306 IonicContact OE1-NE 3.54Å; E303-R306 PolarHBondContact OE1-NE 3.07Å; E303-R306 IonicContact OE2-CZ 3.45Å; E303-R306 IonicContact OE2-NE 3.35Å; E303-R306 PolarHBondContact OE2-NE 3.11Å; E303-R306 IonicContact OE2-NH2 2.7Å; E303-R306 PolarHBondContact OE2-NH2 3.35Å; E303-K307 WeakPolarHBondContact O-CG 3.44Å; E303-K307 PolarHBondContact O-N 3.08Å
304	Q	63.5	Low	57.7	Low	94 Å²	94	120.6 Å²	120.6	44%	0.439	61%	0.613	S	S	.	*	H	α-helix	trans	-70.1	-45.9	168.7	-60	-59.2	-12	0	0	111.3	W300 E301 R306 K307 G308	W300-Q304 HydrophobicContact CD2-CG 4.34Å; W300-Q304 HydrophobicContact CE3-CG 4.34Å; W300-Q304 HydrophobicContact CH2-CG 4.32Å; W300-Q304 HydrophobicContact CZ2-CG 4.31Å; W300-Q304 HydrophobicContact CZ3-CG 4.33Å; W300-Q304 WeakPolarHBondContact O-CG 3.35Å; W300-Q304 PolarHBondContact O-N 2.83Å; W300-Q304 VanDerWaalsContact O-N 3.1Å; E301-Q304 PolarHBondContact O-N 3.43Å; Q304-R306 VanDerWaalsContact C-N 3.29Å; Q304-R306 PolarHBondContact O-N 2.94Å; Q304-K307 PolarHBondContact O-N 2.94Å; Q304-K307 VanDerWaalsContact O-N 3.08Å; Q304-G308 PolarHBondContact O-N 3.14Å
305	I	60.6	Low	56.5	Low	99 Å²	99	125 Å²	125	51%	0.508	63%	0.631	S	S	.	*	H	α-helix	trans	-58.7	-41.7	176.3	-67.9	165.3	0	0	0	110.6	E301 K307 G308 I309	E301-I305 VanDerWaalsContact O-CG1 3.29Å; E301-I305 WeakPolarHBondContact O-CG1 3.49Å; E301-I305 PolarHBondContact O-N 3.31Å; I305-K307 VanDerWaalsContact C-N 3.31Å; I305-K307 PolarHBondContact O-N 3.32Å; I305-G308 PolarHBondContact O-N 3.08Å; I305-I309 HydrophobicContact CG2-CD1 3.75Å; I305-I309 WeakPolarHBondContact O-CD1 3.46Å; I305-I309 WeakPolarHBondContact O-CG1 3.17Å
306	R	60.3	Low	54.8	Low	161 Å²	161	124.7 Å²	124.7	61%	0.608	64%	0.64	S	S	*	*	H	α-helix	trans	-59.3	-38.3	175.3	-167.7	-168.1	-54.6	-88.1	-2.4	112.6	Q302 E303 Q304	Q302-R306 VanDerWaalsContact O-CB 3.29Å; Q302-R306 WeakPolarHBondContact O-CB 3.46Å; Q302-R306 PolarHBondContact O-N 3.32Å; E303-R306 WeakPolarHBondContact OE1-CD 3.05Å; E303-R306 IonicContact OE1-NE 3.54Å; E303-R306 PolarHBondContact OE1-NE 3.07Å; E303-R306 IonicContact OE2-CZ 3.45Å; E303-R306 IonicContact OE2-NE 3.35Å; E303-R306 PolarHBondContact OE2-NE 3.11Å; E303-R306 IonicContact OE2-NH2 2.7Å; E303-R306 PolarHBondContact OE2-NH2 3.35Å; Q304-R306 VanDerWaalsContact C-N 3.29Å; Q304-R306 PolarHBondContact O-N 2.94Å
307	K	65.1	Low	53.2	Low	146 Å²	146	122.1 Å²	122.1	64%	0.635	64%	0.638	S	S	*	*	H	α-helix	trans	-79.1	-28	-179.6	-72.1	171.8	-176.2	172.6	0	113.3	E303 Q304 I305 I309	E303-K307 WeakPolarHBondContact O-CG 3.44Å; E303-K307 PolarHBondContact O-N 3.08Å; Q304-K307 PolarHBondContact O-N 2.94Å; Q304-K307 VanDerWaalsContact O-N 3.08Å; I305-K307 VanDerWaalsContact C-N 3.31Å; I305-K307 PolarHBondContact O-N 3.32Å; K307-I309 PolarHBondContact O-N 2.84Å
308	G	53.5	Low	51.3	Low	70 Å²	70	126.8 Å²	126.8	72%	0.722	66%	0.655	S	S	*	*	H	α-helix	trans	-76.8	-12.1	-179.3	0	0	0	0	0	116.4	Q304 I305	Q304-G308 PolarHBondContact O-N 3.14Å; I305-G308 PolarHBondContact O-N 3.08Å
309	I	47.4	Very low	49.9	Very low	126 Å²	126	128 Å²	128	65%	0.646	66%	0.661	S	S	*	*	S	Bend	trans	-113.1	-5.3	-166.3	-61.8	173.3	0	0	0	113.5	I305 K307 I311	I305-I309 HydrophobicContact CG2-CD1 3.75Å; I305-I309 WeakPolarHBondContact O-CD1 3.46Å; I305-I309 WeakPolarHBondContact O-CG1 3.17Å; K307-I309 PolarHBondContact O-N 2.84Å; I309-I311 PolarHBondContact O-N 2.96Å
310	S	41.3	Very low	47.7	Very low	103 Å²	103	129 Å²	129	72%	0.72	67%	0.672	S	S	*	*			trans	-83.4	100.6	-177	-168	0	0	0	0	113.1	P312	S310-P312 WeakPolarHBondContact O-CD 3.46Å
311	I	38.3	Very low	45.6	Very low	158 Å²	158	128.1 Å²	128.1	81%	0.81	68%	0.68	S	S	*	*	P	Polyproline II helix	trans	-86.4	123.4	179.4	-59.8	171.1	0	0	0	111.2	I309	I309-I311 PolarHBondContact O-N 2.96Å
312	P	43.2	Very low	43.6	Very low	117 Å²	117	126.9 Å²	126.9	76%	0.76	68%	0.683	S	S	*	*	P	Polyproline II helix	trans	-79.3	144.2	169.3	-14.2	31.4	0	0	0	113.1	S310	S310-P312 WeakPolarHBondContact O-CD 3.46Å
313	Q	32.8	Very low	41.5	Very low	200 Å²	200	127.4 Å²	127.4	94%	0.935	70%	0.695	S	S	*	*	P	Polyproline II helix	trans	-99.5	153.9	-179.9	-165.2	173.6	1.4	0	0	111.5
314	V	33	Very low	39.8	Very low	128 Å²	128	128 Å²	128	78%	0.776	71%	0.713	S	S	*	*			trans	-118.1	130	-166.9	176.8	0	0	0	0	113.5
315	Q	28.7	Very low	38.1	Very low	190 Å²	190	133.1 Å²	133.1	89%	0.888	73%	0.73	S	S	*	*			trans	179.5	152.1	151.4	-103.5	163.9	24.4	0	0	109.5
316	S	28.6	Very low	36.5	Very low	96 Å²	96	137.2 Å²	137.2	67%	0.671	74%	0.74	S	S	*	*			cis	-158.9	171.1	2	58.7	0	0	0	0	112.7
317	S	26.7	Very low	34.9	Very low	96 Å²	96	136.2 Å²	136.2	67%	0.671	74%	0.743	S	S	*	*			trans	56.8	115.2	153.7	50.8	0	0	0	0	120.1
318	Q	25.8	Very low	33.1	Very low	185 Å²	185	135.4 Å²	135.4	86%	0.864	75%	0.745	S	S	*	*				85.6	154.9	64	-93.2	-158	-35.1	0	0	114.9
319	P	40.6	Very low	31.9	Very low	85 Å²	85	136.1 Å²	136.1	55%	0.552	74%	0.739	S	S	*	*			cis	-137.5	-163.2	-22.8	39.6	-20.4	0	0	0	114
320	E	29.1	Very low	31	Very low	180 Å²	180	141.7 Å²	141.7	84%	0.841	75%	0.754	S	S	*	*			trans	72.2	153.1	156	-70.7	165.7	-142.3	0	0	120.3
321	D	28	Very low	30.6	Very low	148 Å²	148	144.6 Å²	144.6	79%	0.791	76%	0.756	S	S	*	*			cis	-165.6	164	-36	-160.6	7.8	0	0	0	110.4
322	S	27.8	Very low	30.3	Very low	84 Å²	84	142.6 Å²	142.6	59%	0.587	75%	0.751	S	S	*	*			trans	58.1	136.1	149.4	-162.5	0	0	0	0	123.7
323	T	28.4	Very low	29.6	Very low	132 Å²	132	145.9 Å²	145.9	81%	0.81	76%	0.756	S	S	*	*			trans	87	148.3	143.2	13.4	0	0	0	0	123.7
324	A	34	Very low	29.9	Very low	90 Å²	90	141.7 Å²	141.7	74%	0.744	75%	0.747	S	S	*	*			trans	73.3	118.8	167.8	0	0	0	0	0	118.2
325	Y	26	Very low	29.6	Very low	202 Å²	202	147.1 Å²	147.1	79%	0.792	76%	0.755	S	S	*	*			cis	82.7	127.4	39	-103.1	-58.2	0	0	0	116.6
326	Y	28.3	Very low	29.9	Very low	185 Å²	185	141.3 Å²	141.3	73%	0.725	75%	0.746	S	S	*	*			trans	59.5	154	170.7	-73	-93.8	0	0	0	115.9
327	Q	26.8	Very low	29.9	Very low	140 Å²	140	142.9 Å²	142.9	65%	0.654	76%	0.757	S	S	*	*			cis	-177.1	-176.3	-27.9	-170.2	177.7	-87	0	0	104.9
328	N	26.3	Very low	30.2	Very low	128 Å²	128	143.2 Å²	143.2	68%	0.684	76%	0.759	S	S	*	*			trans	73.7	154.9	154.3	-85.4	13.4	0	0	0	116.3
329	S	29	Very low	30.5	Very low	86 Å²	86	145.4 Å²	145.4	60%	0.601	76%	0.761	S	S	*	*			cis	-164.8	152.6	-29.3	42.3	0	0	0	0	107.7	E331	S329-E331 PolarHBondContact O-N 3.17Å
330	Y	28	Very low	30.1	Very low	242 Å²	242	146.3 Å²	146.3	95%	0.949	77%	0.769	S	S	*	*			trans	-73.4	121.3	162.9	-87.3	-96.5	0	0	0	109.3
331	E	32.6	Very low	30.4	Very low	164 Å²	164	145.2 Å²	145.2	77%	0.766	77%	0.766	S	S	*	*			trans	-145.8	120.5	151.1	-114	-171.4	137.7	0	0	112.1	S329	S329-E331 PolarHBondContact O-N 3.17Å
332	T	32	Very low	30.8	Very low	116 Å²	116	143.4 Å²	143.4	71%	0.712	76%	0.762	S	S	*	*			trans	36.9	98.6	142.4	44.5	0	0	0	0	120
333	Q	30.3	Very low	30.9	Very low	186 Å²	186	149.1 Å²	149.1	87%	0.869	78%	0.777	S	S	*	*			trans	-89.2	123.1	151.3	-81.6	-71.8	-64.2	0	0	110.8
334	P	37.8	Very low	31.1	Very low	112 Å²	112	149.4 Å²	149.4	73%	0.727	78%	0.779	S	S	*	*			trans	-90.6	116	165.4	32.4	-29.2	0	0	0	111.9
335	Y	27.6	Very low	30.9	Very low	243 Å²	243	155.4 Å²	155.4	95%	0.953	78%	0.784	S	S	*	*			trans	23.2	108.4	147	-153.6	-91.5	0	0	0	119
336	G	33.9	Very low	31.2	Very low	67 Å²	67	150.9 Å²	150.9	69%	0.691	78%	0.781	S	S	*	*			trans	-173.9	35.4	179.2	0	0	0	0	0	118.4	S338	G336-S338 PolarHBondContact O-N 2.99Å; G336-S338 VanDerWaalsContact O-N 3.09Å
337	S	30.1	Very low	31.3	Very low	130 Å²	130	147.4 Å²	147.4	91%	0.909	78%	0.784	S	S	*	*			trans	-69.7	106.4	178.2	-172	0	0	0	0	111.9
338	S	32.2	Very low	31.7	Very low	102 Å²	102	147.1 Å²	147.1	71%	0.713	79%	0.792	S	S	*	*			trans	-135.7	137.1	168.3	59.4	0	0	0	0	110.2	G336 S340	G336-S338 PolarHBondContact O-N 2.99Å; G336-S338 VanDerWaalsContact O-N 3.09Å; S338-S340 PolarHBondContact O-N 3.01Å
339	Y	32.3	Very low	31.9	Very low	232 Å²	232	145.5 Å²	145.5	91%	0.91	80%	0.796	S	S	*	*			trans	-65.9	118.1	-170.9	-113.1	-111.5	0	0	0	111.9
340	S	31.3	Very low	32.5	Very low	104 Å²	104	146.4 Å²	146.4	73%	0.727	80%	0.8	S	S	*	*			trans	-144.7	130.2	158.4	63.5	0	0	0	0	110.5	S338	S338-S340 PolarHBondContact O-N 3.01Å
341	M	35	Very low	32.6	Very low	157 Å²	157	142.9 Å²	142.9	77%	0.773	79%	0.792	S	S	*	*			trans	-101.9	111.8	179.2	-83.3	-72.4	-72.4	0	0	109.4	F343	M341-F343 PolarHBondContact O-N 2.95Å
342	P	37.1	Very low	33.1	Very low	109 Å²	109	140.5 Å²	140.5	71%	0.708	79%	0.791	S	S	*	*			trans	-79.2	102.3	179.4	-11.2	28.4	0	0	0	111.1	T344	P342-T344 PolarHBondContact O-N 2.98Å
343	F	29.8	Very low	33.1	Very low	205 Å²	205	138.4 Å²	138.4	90%	0.899	79%	0.792	S	S	*	*			trans	-69.7	112.6	160.4	-94.6	-90.3	0	0	0	109	M341 Y345	M341-F343 PolarHBondContact O-N 2.95Å; F343-Y345 PolarHBondContact O-N 3.16Å
344	T	33.3	Very low	33.3	Very low	137 Å²	137	139.8 Å²	139.8	84%	0.84	80%	0.795	S	S	*	*			trans	-86.1	101.5	179.5	41.5	0	0	0	0	111.5	P342	P342-T344 PolarHBondContact O-N 2.98Å
345	Y	29.3	Very low	33	Very low	217 Å²	217	142.2 Å²	142.2	85%	0.851	80%	0.801	S	S	*	*			trans	-108.2	119.2	163.7	-163.2	-89.7	0	0	0	109.7	F343 S347	F343-Y345 PolarHBondContact O-N 3.16Å; Y345-S347 PolarHBondContact O-N 3.28Å
346	S	32.6	Very low	33.6	Very low	106 Å²	106	135.8 Å²	135.8	74%	0.741	79%	0.789	S	S	*	*			trans	-78.6	117.2	-174.1	-168.1	0	0	0	0	111.4
347	S	30	Very low	33.4	Very low	113 Å²	113	137.1 Å²	137.1	79%	0.79	79%	0.787	S	S	*	*			trans	-90.6	108.7	178.1	42.1	0	0	0	0	111.5	Y345	Y345-S347 PolarHBondContact O-N 3.28Å
348	V	35.4	Very low	33.6	Very low	134 Å²	134	138.6 Å²	138.6	81%	0.812	78%	0.784	S	S	*	*			trans	-81.2	126.1	174.7	-177.9	0	0	0	0	110.1
349	A	31.3	Very low	33.7	Very low	93 Å²	93	138.8 Å²	138.8	77%	0.769	79%	0.786	S	S	*	*			trans	-85.3	145.5	176.1	0	0	0	0	0	112
350	P	40.7	Very low	33.6	Very low	105 Å²	105	134.3 Å²	134.3	68%	0.682	78%	0.777	S	S	*	*			trans	-117.1	155.6	-162.6	40.5	-31.5	0	0	0	115.8
351	Q	31	Very low	33.8	Very low	168 Å²	168	136.1 Å²	136.1	79%	0.785	78%	0.779	S	S	*	*			trans	-179.9	162.2	142.3	-89.7	-22	-65.6	0	0	110.1
352	P	42.7	Very low	33.9	Very low	115 Å²	115	132.4 Å²	132.4	75%	0.747	78%	0.78	S	S	*	*			cis	-133.6	159.7	-32.3	37.3	-22.7	0	0	0	113.5
353	G	31.7	Very low	33.9	Very low	72 Å²	72	132.8 Å²	132.8	74%	0.742	79%	0.786	S	S	*	*			trans	137.8	107.6	148.6	0	0	0	0	0	120.4
354	K	34.6	Very low	34.1	Very low	215 Å²	215	128.8 Å²	128.8	94%	0.935	78%	0.778	S	S	*	*			trans	64.3	104	146.2	-61.7	-177.3	179.4	178.2	0	120.2
355	I	31.3	Very low	34.2	Very low	163 Å²	163	133.6 Å²	133.6	84%	0.836	78%	0.781	S	S	*	*			trans	-74.2	148.7	161	-58.7	154.1	0	0	0	107.1
356	P	41.2	Very low	34.7	Very low	108 Å²	108	134.2 Å²	134.2	70%	0.701	78%	0.783	S	S	*	*				-156.1	168.5	58.8	44	-22	0	0	0	122.6
357	S	29.2	Very low	34.9	Very low	95 Å²	95	132.8 Å²	132.8	66%	0.664	79%	0.785	S	S	*	*			trans	78.5	119.7	135.7	59.6	0	0	0	0	124.4
358	L	34	Very low	35.8	Very low	160 Å²	160	131.6 Å²	131.6	84%	0.838	78%	0.782	S	S	*	*			trans	83.7	143.3	130.8	-98.5	76.9	0	0	0	123
359	S	33.3	Very low	36.5	Very low	107 Å²	107	131.5 Å²	131.5	75%	0.748	78%	0.784	S	S	*	*			trans	59.5	124.5	162.6	40.9	0	0	0	0	117.8
360	D	31.8	Very low	37.4	Very low	137 Å²	137	134 Å²	134	73%	0.733	78%	0.783	S	S	*	*			cis	88.6	141.4	43.1	-171.4	41	0	0	0	113.8
361	N	35.4	Very low	37.5	Very low	143 Å²	143	134.9 Å²	134.9	77%	0.765	79%	0.79	S	S	*	*			trans	64.1	119	-172.7	-57	-78.2	0	0	0	116.1
362	G	36.6	Very low	38.3	Very low	78 Å²	78	134.4 Å²	134.4	80%	0.804	79%	0.793	S	S	*	*			trans	-121.2	164.5	168.1	0	0	0	0	0	111.8
363	S	36	Very low	38.7	Very low	117 Å²	117	137 Å²	137	82%	0.818	80%	0.799	S	S	*	*			trans	-166.1	169.1	164.8	-161.5	0	0	0	0	112.9
364	V	35.6	Very low	39.7	Very low	121 Å²	121	139.5 Å²	139.5	73%	0.733	80%	0.801	S	S	*	*			trans	69	83.7	165.1	-161.8	0	0	0	0	118.9
365	R	35.3	Very low	41	Very low	238 Å²	238	135.6 Å²	135.6	90%	0.898	80%	0.797	S	S	*	*				48.8	126.4	122.7	-63.1	-175.6	176.7	-157.4	-2.5	121.5
366	Y	38.7	Very low	42.6	Very low	231 Å²	231	132.1 Å²	132.1	91%	0.906	78%	0.783	S	S	*	*			trans	-68.5	156.2	150.2	-78	-108.2	0	0	0	112.3
367	G	36.7	Very low	44.2	Very low	75 Å²	75	129.9 Å²	129.9	77%	0.773	77%	0.77	S	S	*	*			trans	-103.4	146.9	151.3	0	0	0	0	0	110
368	A	49.1	Very low	46.4	Very low	88 Å²	88	132.1 Å²	132.1	73%	0.727	77%	0.773	S	S	*	*			trans	-127.4	151.8	-177.9	0	0	0	0	0	111.5
369	P	49.6	Very low	48.6	Very low	132 Å²	132	129.9 Å²	129.9	86%	0.857	76%	0.762	S	S	*	*			trans	-76.3	157.2	157.9	-7.3	25.9	0	0	0	110.9
370	I	50.7	Low	51	Low	146 Å²	146	128.3 Å²	128.3	75%	0.749	75%	0.745	S	S	*	*			trans	-116.2	142.8	-178	-61.8	165.6	0	0	0	109
371	C	43.6	Very low	53.5	Low	123 Å²	123	125 Å²	125	83%	0.831	73%	0.73	S	S	*	*			trans	-129.3	137.8	155.9	-74.9	0	0	0	0	108.4
372	D	46.7	Very low	56	Low	158 Å²	158	123.9 Å²	123.9	85%	0.845	72%	0.718	S	S	*	*			trans	-73.5	151.3	-177	-68.1	-64.6	0	0	0	113.3
373	L	51.1	Low	58.4	Low	169 Å²	169	126 Å²	126	89%	0.885	71%	0.705	S	S	*	*			trans	-119.9	129.5	173	-73.3	170	0	0	0	109.8
374	T	53.7	Low	60.8	Low	126 Å²	126	127.5 Å²	127.5	77%	0.773	69%	0.693	S	S	*	*	P	Polyproline II helix	trans	-65.9	137.7	176.6	48.4	0	0	0	0	111.6	V376	T374-V376 PolarHBondContact O-N 3.38Å
375	P	61.8	Low	63.4	Low	132 Å²	132	127 Å²	127	86%	0.857	69%	0.686	S	S	*	*	P	Polyproline II helix	trans	-70.4	124.3	-174.4	27.8	-34.7	0	0	0	112.3
376	V	63.7	Low	66	Low	90 Å²	90	120.3 Å²	120.3	55%	0.545	67%	0.665	S	S	.	*	P	Polyproline II helix	trans	-83.4	120.7	177.2	179	0	0	0	0	110.1	T374 L380 V381	T374-V376 PolarHBondContact O-N 3.38Å; V376-L380 HydrophobicContact CG1-CD2 4.39Å; V376-V381 HydrophobicContact CG1-CG2 3.7Å
377	S	74.8	Confident	68.4	Low	61 Å²	61	113 Å²	113	43%	0.427	64%	0.641	S	S	.	*	P	Polyproline II helix	trans	-68.2	144.4	174.6	170.7	0	0	0	0	112.5	D379 L380 V381	S377-D379 VanDerWaalsContact C-N 3.26Å; S377-D379 PolarHBondContact O-N 3.5Å; S377-D379 PolarHBondContact OG-N 3.45Å; S377-L380 WeakPolarHBondContact O-CB 3.43Å; S377-L380 PolarHBondContact O-N 2.86Å; S377-L380 VanDerWaalsContact O-N 3.11Å; S377-V381 PolarHBondContact O-N 3.46Å; S377-V381 VanDerWaalsContact O-N 3.1Å
378	I	76.9	Confident	71.1	Confident	142 Å²	142	118.3 Å²	118.3	73%	0.728	64%	0.638	S	S	*	*	H	α-helix	trans	-60.3	-37.3	173.7	-62.4	175.5	0	0	0	110.8	L380 V381 K382	I378-L380 VanDerWaalsContact C-N 3.3Å; I378-L380 PolarHBondContact O-N 3.23Å; I378-V381 PolarHBondContact O-N 2.83Å; I378-K382 WeakPolarHBondContact O-CB 3.46Å; I378-K382 PolarHBondContact O-N 2.96Å
379	D	80.6	Confident	73.2	Confident	114 Å²	114	117.8 Å²	117.8	61%	0.61	62%	0.622	S	S	*	*	H	α-helix	trans	-68.5	-30.2	176.8	-62.9	-60.3	0	0	0	112.4	S377 K382 K383	S377-D379 VanDerWaalsContact C-N 3.26Å; S377-D379 PolarHBondContact O-N 3.5Å; S377-D379 PolarHBondContact OG-N 3.45Å; D379-K382 PolarHBondContact O-N 3.32Å; D379-K383 VanDerWaalsContact O-CB 3.28Å; D379-K383 WeakPolarHBondContact O-CB 3.36Å; D379-K383 PolarHBondContact O-N 2.85Å
380	L	81.8	Confident	75.2	Confident	73 Å²	73	116 Å²	116	38%	0.382	61%	0.606	S	S	.	*	H	α-helix	trans	-70.2	-35.7	172.3	-178.6	60.8	0	0	0	111.4	V376 S377 I378 R384	V376-L380 HydrophobicContact CG1-CD2 4.39Å; S377-L380 WeakPolarHBondContact O-CB 3.43Å; S377-L380 PolarHBondContact O-N 2.86Å; S377-L380 VanDerWaalsContact O-N 3.11Å; I378-L380 VanDerWaalsContact C-N 3.3Å; I378-L380 PolarHBondContact O-N 3.23Å; L380-R384 WeakPolarHBondContact O-CB 3.18Å; L380-R384 VanDerWaalsContact O-CG 3.22Å; L380-R384 WeakPolarHBondContact O-CG 3.39Å; L380-R384 PolarHBondContact O-N 3.09Å
381	V	85.2	Confident	77.2	Confident	68 Å²	68	116.2 Å²	116.2	41%	0.412	60%	0.603	S	S	.	*	H	α-helix	trans	-67.3	-47.1	171.7	-179.9	0	0	0	0	110.6	V376 S377 I378 K383 R384 L385	V376-V381 HydrophobicContact CG1-CG2 3.7Å; S377-V381 PolarHBondContact O-N 3.46Å; S377-V381 VanDerWaalsContact O-N 3.1Å; I378-V381 PolarHBondContact O-N 2.83Å; V381-K383 PolarHBondContact O-N 3.27Å; V381-R384 PolarHBondContact O-N 3.32Å; V381-L385 HydrophobicContact CG1-CD1 4.08Å; V381-L385 WeakPolarHBondContact O-CG 3.24Å; V381-L385 PolarHBondContact O-N 2.93Å
382	K	87.3	Confident	79.6	Confident	120 Å²	120	115.9 Å²	115.9	52%	0.522	59%	0.591	S	S	.	*	H	α-helix	trans	-59.2	-46.5	177.4	-176.6	-175.7	172.9	-171.4	0	111.5	I378 D379 L385 Q386	I378-K382 WeakPolarHBondContact O-CB 3.46Å; I378-K382 PolarHBondContact O-N 2.96Å; D379-K382 PolarHBondContact O-N 3.32Å; K382-L385 PolarHBondContact O-N 2.73Å; K382-Q386 VanDerWaalsContact CE-OE1 3.3Å; K382-Q386 PolarHBondContact O-N 3.41Å
383	K	87.4	Confident	81.8	Confident	123 Å²	123	112.6 Å²	112.6	54%	0.535	57%	0.57	S	S	.	*	H	α-helix	trans	-59.9	-50.7	175.1	-174.1	-179.3	172.8	-179.7	0	110.8	D379 V381 L385 Q386 D387	D379-K383 VanDerWaalsContact O-CB 3.28Å; D379-K383 WeakPolarHBondContact O-CB 3.36Å; D379-K383 PolarHBondContact O-N 2.85Å; V381-K383 PolarHBondContact O-N 3.27Å; K383-L385 PolarHBondContact O-N 2.65Å; K383-L385 VanDerWaalsContact O-N 3.16Å; K383-Q386 CarbonylContact O-C 3.57Å; K383-Q386 WeakPolarHBondContact O-CA 3.47Å; K383-Q386 PolarHBondContact O-N 2.84Å; K383-D387 VanDerWaalsContact CE-OD1 3.3Å; K383-D387 WeakPolarHBondContact CE-OD1 3.37Å; K383-D387 WeakPolarHBondContact CE-OD2 3.22Å; K383-D387 WeakPolarHBondContact CG-OD1 3.38Å; K383-D387 WeakPolarHBondContact CG-OD2 3.41Å; K383-D387 WeakPolarHBondContact O-CB 3.26Å; K383-D387 PolarHBondContact O-N 3.22Å
384	R	86.5	Confident	83.8	Confident	148 Å²	148	107.3 Å²	107.3	56%	0.558	55%	0.551	S	S	*	*	H	α-helix	trans	-57.3	-30.9	176.3	-76.4	171.8	175.1	-178.4	-1.3	113.7	L380 V381 R388	L380-R384 WeakPolarHBondContact O-CB 3.18Å; L380-R384 VanDerWaalsContact O-CG 3.22Å; L380-R384 WeakPolarHBondContact O-CG 3.39Å; L380-R384 PolarHBondContact O-N 3.09Å; V381-R384 PolarHBondContact O-N 3.32Å; R384-R388 WeakPolarHBondContact O-CB 3.47Å; R384-R388 PolarHBondContact O-N 3.16Å
385	L	90.1	Very high	85.7	Confident	110 Å²	110	102.8 Å²	102.8	58%	0.576	53%	0.53	S	S	*	.	H	α-helix	trans	-74.7	-36.6	174.1	-71.9	170	0	0	0	112.4	V381 K382 K383 L389	V381-L385 HydrophobicContact CG1-CD1 4.08Å; V381-L385 WeakPolarHBondContact O-CG 3.24Å; V381-L385 PolarHBondContact O-N 2.93Å; K382-L385 PolarHBondContact O-N 2.73Å; K383-L385 PolarHBondContact O-N 2.65Å; K383-L385 VanDerWaalsContact O-N 3.16Å; L385-L389 WeakPolarHBondContact O-CB 3.35Å; L385-L389 PolarHBondContact O-N 3.35Å
386	Q	90.9	Very high	87.2	Confident	98 Å²	98	102 Å²	102	46%	0.458	51%	0.514	S	S	.	.	H	α-helix	trans	-71.7	-49.3	173.8	-69.6	-175.1	-113.6	0	0	111.6	K382 K383 R388 L389 D390	K382-Q386 VanDerWaalsContact CE-OE1 3.3Å; K382-Q386 PolarHBondContact O-N 3.41Å; K383-Q386 CarbonylContact O-C 3.57Å; K383-Q386 WeakPolarHBondContact O-CA 3.47Å; K383-Q386 PolarHBondContact O-N 2.84Å; Q386-R388 PolarHBondContact O-N 2.91Å; Q386-R388 VanDerWaalsContact O-N 3.17Å; Q386-L389 WeakPolarHBondContact O-CA 3.28Å; Q386-L389 WeakPolarHBondContact O-CB 3.19Å; Q386-L389 PolarHBondContact O-N 3.44Å; Q386-D390 PolarHBondContact O-N 3.44Å
387	D	89.3	Confident	88.6	Confident	77 Å²	77	102.1 Å²	102.1	41%	0.412	51%	0.512	S	S	.	.	H	α-helix	trans	-51.8	-41.4	173.8	-60.4	-17.9	0	0	0	110.9	K383 Q391	K383-D387 VanDerWaalsContact CE-OD1 3.3Å; K383-D387 WeakPolarHBondContact CE-OD1 3.37Å; K383-D387 WeakPolarHBondContact CE-OD2 3.22Å; K383-D387 WeakPolarHBondContact CG-OD1 3.38Å; K383-D387 WeakPolarHBondContact CG-OD2 3.41Å; K383-D387 WeakPolarHBondContact O-CB 3.26Å; K383-D387 PolarHBondContact O-N 3.22Å; D387-Q391 VanDerWaalsContact O-CB 3.24Å; D387-Q391 WeakPolarHBondContact O-CB 3.34Å; D387-Q391 PolarHBondContact O-N 3.43Å
388	R	91.9	Very high	89.5	Confident	187 Å²	187	101.4 Å²	101.4	71%	0.706	51%	0.51	S	S	*	.	H	α-helix	trans	-73.3	-33.2	176.9	-173.4	175.7	-175.8	176.7	2.7	113.7	R384 Q386 M392	R384-R388 WeakPolarHBondContact O-CB 3.47Å; R384-R388 PolarHBondContact O-N 3.16Å; Q386-R388 PolarHBondContact O-N 2.91Å; Q386-R388 VanDerWaalsContact O-N 3.17Å; R388-M392 VanDerWaalsContact O-CB 3.28Å; R388-M392 WeakPolarHBondContact O-CB 3.34Å; R388-M392 PolarHBondContact O-N 2.9Å
389	L	93.5	Very high	90.3	Very high	76 Å²	76	99.7 Å²	99.7	40%	0.398	50%	0.502	S	S	.	.	H	α-helix	trans	-67.4	-46.7	173.9	-179.8	66.2	0	0	0	110.3	L385 Q386 M392 H393	L385-L389 WeakPolarHBondContact O-CB 3.35Å; L385-L389 PolarHBondContact O-N 3.35Å; Q386-L389 WeakPolarHBondContact O-CA 3.28Å; Q386-L389 WeakPolarHBondContact O-CB 3.19Å; Q386-L389 PolarHBondContact O-N 3.44Å; L389-M392 HydrophobicContact CD1-CE 3.72Å; L389-M392 WeakPolarHBondContact O-CB 3.47Å; L389-M392 PolarHBondContact O-N 2.87Å; L389-H393 WeakPolarHBondContact CD1-NE2 3.49Å; L389-H393 VanDerWaalsContact O-CG 3.3Å; L389-H393 PolarHBondContact O-N 2.93Å
390	D	92.3	Very high	91	Very high	95 Å²	95	97.4 Å²	97.4	51%	0.508	49%	0.489	S	S	.	.	H	α-helix	trans	-67.4	-39.4	179.3	-65.9	-32	0	0	0	111.3	Q386 M392 H393 A394	Q386-D390 PolarHBondContact O-N 3.44Å; D390-M392 VanDerWaalsContact C-N 3.35Å; D390-M392 PolarHBondContact O-N 3.21Å; D390-H393 PolarHBondContact O-N 3.36Å; D390-A394 WeakPolarHBondContact O-CB 3.37Å; D390-A394 PolarHBondContact O-N 3.42Å
391	Q	92.6	Very high	91.7	Very high	150 Å²	150	101 Å²	101	70%	0.701	50%	0.502	S	S	*	.	H	α-helix	trans	-66.5	-34.5	172.9	-167.1	170.4	31.8	0	0	112.5	D387 G395	D387-Q391 VanDerWaalsContact O-CB 3.24Å; D387-Q391 WeakPolarHBondContact O-CB 3.34Å; D387-Q391 PolarHBondContact O-N 3.43Å; Q391-G395 PolarHBondContact O-N 3Å
392	M	93.9	Very high	92.1	Very high	117 Å²	117	105.3 Å²	105.3	58%	0.576	51%	0.511	S	S	*	.	H	α-helix	trans	-68	-42.2	172.2	-179.3	176.4	64.8	0	0	111.8	R388 L389 D390 G395 H396	R388-M392 VanDerWaalsContact O-CB 3.28Å; R388-M392 WeakPolarHBondContact O-CB 3.34Å; R388-M392 PolarHBondContact O-N 2.9Å; L389-M392 HydrophobicContact CD1-CE 3.72Å; L389-M392 WeakPolarHBondContact O-CB 3.47Å; L389-M392 PolarHBondContact O-N 2.87Å; D390-M392 VanDerWaalsContact C-N 3.35Å; D390-M392 PolarHBondContact O-N 3.21Å; M392-G395 PolarHBondContact O-N 3.4Å; M392-H396 WeakPolarHBondContact O-CB 3.34Å; M392-H396 PolarHBondContact O-N 3.49Å
393	H	93.4	Very high	92.5	Very high	88 Å²	88	107.5 Å²	107.5	41%	0.407	52%	0.517	S	S	.	.	H	α-helix	trans	-64.8	-41.2	174.8	-68.1	166.9	0	0	0	112	L389 D390 H396 N397	L389-H393 WeakPolarHBondContact CD1-NE2 3.49Å; L389-H393 VanDerWaalsContact O-CG 3.3Å; L389-H393 PolarHBondContact O-N 2.93Å; D390-H393 PolarHBondContact O-N 3.36Å; H393-H396 PolarHBondContact O-N 3.49Å; H393-N397 WeakPolarHBondContact O-CB 3.42Å; H393-N397 PolarHBondContact O-N 3.42Å; H393-N397 PolarHBondContact O-ND2 3.21Å
394	A	92.3	Very high	92.9	Very high	58 Å²	58	105.6 Å²	105.6	48%	0.479	51%	0.51	S	S	.	.	H	α-helix	trans	-61.9	-45.4	174.2	0	0	0	0	0	111.6	D390 N397 A398	D390-A394 WeakPolarHBondContact O-CB 3.37Å; D390-A394 PolarHBondContact O-N 3.42Å; A394-N397 PolarHBondContact O-N 3.29Å; A394-A398 WeakPolarHBondContact O-CB 3.41Å; A394-A398 PolarHBondContact O-N 3.01Å
395	G	93.7	Very high	93.4	Very high	32 Å²	32	100.9 Å²	100.9	33%	0.33	49%	0.494	S	S	.	.	H	α-helix	trans	-63.4	-39.9	174.8	0	0	0	0	0	113.2	Q391 M392 A398 N399	Q391-G395 PolarHBondContact O-N 3Å; M392-G395 PolarHBondContact O-N 3.4Å; G395-A398 PolarHBondContact O-N 2.83Å; G395-N399 WeakPolarHBondContact O-CB 3.43Å; G395-N399 VanDerWaalsContact O-CG 3.32Å; G395-N399 PolarHBondContact O-N 2.89Å; G395-N399 PolarHBondContact O-OD1 3.39Å
396	H	93.6	Very high	93.7	Very high	114 Å²	114	99.7 Å²	99.7	53%	0.528	49%	0.488	S	S	.	.	H	α-helix	trans	-64.2	-46.7	175.5	-174.4	51.1	0	0	0	111.8	M392 H393 A398 N399 I400	M392-H396 WeakPolarHBondContact O-CB 3.34Å; M392-H396 PolarHBondContact O-N 3.49Å; H393-H396 PolarHBondContact O-N 3.49Å; H396-A398 VanDerWaalsContact C-N 3.34Å; H396-A398 PolarHBondContact O-N 2.62Å; H396-N399 PolarHBondContact O-N 3.2Å; H396-I400 WeakPolarHBondContact O-CG1 3.37Å; H396-I400 PolarHBondContact O-N 3.11Å
397	N	93.6	Very high	94	Very high	93 Å²	93	100.2 Å²	100.2	50%	0.497	49%	0.485	S	S	.	.	H	α-helix	trans	-65.5	-34.6	177.3	-69.1	-18.1	0	0	0	112.6	H393 A394 K401	H393-N397 WeakPolarHBondContact O-CB 3.42Å; H393-N397 PolarHBondContact O-N 3.42Å; H393-N397 PolarHBondContact O-ND2 3.21Å; A394-N397 PolarHBondContact O-N 3.29Å; N397-K401 WeakPolarHBondContact O-CG 3.19Å; N397-K401 PolarHBondContact O-N 2.98Å; N397-K401 VanDerWaalsContact O-N 3.12Å
398	A	93.7	Very high	94.4	Very high	47 Å²	47	100.3 Å²	100.3	39%	0.388	49%	0.486	S	S	.	.	H	α-helix	trans	-67.5	-41.2	172.8	0	0	0	0	0	111.8	A394 G395 H396 K401 R402	A394-A398 WeakPolarHBondContact O-CB 3.41Å; A394-A398 PolarHBondContact O-N 3.01Å; G395-A398 PolarHBondContact O-N 2.83Å; H396-A398 VanDerWaalsContact C-N 3.34Å; H396-A398 PolarHBondContact O-N 2.62Å; A398-K401 PolarHBondContact O-N 3Å; A398-R402 PolarHBondContact O-N 3.12Å
399	N	93.2	Very high	94.6	Very high	105 Å²	105	95.3 Å²	95.3	56%	0.561	47%	0.47	S	S	*	.	H	α-helix	trans	-67.3	-36.7	175.5	-75.3	2.4	0	0	0	112.5	G395 H396 Y403	G395-N399 WeakPolarHBondContact O-CB 3.43Å; G395-N399 VanDerWaalsContact O-CG 3.32Å; G395-N399 PolarHBondContact O-N 2.89Å; G395-N399 PolarHBondContact O-OD1 3.39Å; H396-N399 PolarHBondContact O-N 3.2Å; N399-Y403 VanDerWaalsContact O-CB 3.27Å; N399-Y403 WeakPolarHBondContact O-CB 3.39Å; N399-Y403 PolarHBondContact O-N 3.37Å
400	I	95.7	Very high	94.7	Very high	66 Å²	66	96.1 Å²	96.1	34%	0.338	48%	0.475	S	S	.	.	H	α-helix	trans	-60.2	-51	172.4	-71.1	164.8	0	0	0	109.9	H396 R402 Y403 E404	H396-I400 WeakPolarHBondContact O-CG1 3.37Å; H396-I400 PolarHBondContact O-N 3.11Å; I400-R402 PolarHBondContact O-N 2.8Å; I400-Y403 WeakPolarHBondContact O-CB 3.41Å; I400-Y403 PolarHBondContact O-N 2.86Å; I400-Y403 VanDerWaalsContact O-N 3.09Å; I400-E404 HydrophobicContact CG2-CG 4.4Å; I400-E404 WeakPolarHBondContact O-CG 3.44Å; I400-E404 PolarHBondContact O-N 3.09Å
401	K	95.1	Very high	94.9	Very high	148 Å²	148	97.8 Å²	97.8	64%	0.643	48%	0.48	S	S	*	.	H	α-helix	trans	-60.3	-42.1	179.6	-73.9	-178.6	176.1	-170.2	0	113.1	N397 A398 E404 Q405	N397-K401 WeakPolarHBondContact O-CG 3.19Å; N397-K401 PolarHBondContact O-N 2.98Å; N397-K401 VanDerWaalsContact O-N 3.12Å; A398-K401 PolarHBondContact O-N 3Å; K401-E404 PolarHBondContact O-N 2.9Å; K401-Q405 WeakPolarHBondContact O-CB 3.27Å; K401-Q405 PolarHBondContact O-N 2.8Å
402	R	95.1	Very high	95.1	Very high	159 Å²	159	93.2 Å²	93.2	60%	0.6	47%	0.467	S	S	*	.	H	α-helix	trans	-64.3	-39.1	173.8	-76.7	-178.8	171.7	-175.5	-4.5	112.3	A398 I400 Q405 I406	A398-R402 PolarHBondContact O-N 3.12Å; I400-R402 PolarHBondContact O-N 2.8Å; R402-Q405 PolarHBondContact O-N 2.85Å; R402-I406 VanDerWaalsContact O-CB 3.32Å; R402-I406 WeakPolarHBondContact O-CB 3.4Å; R402-I406 WeakPolarHBondContact O-CD1 3.29Å; R402-I406 WeakPolarHBondContact O-CG1 3.49Å; R402-I406 PolarHBondContact O-N 3.42Å
403	Y	95.4	Very high	95.1	Very high	166 Å²	166	90.5 Å²	90.5	65%	0.651	46%	0.46	S	S	*	.	H	α-helix	trans	-65.6	-39.2	175.6	176.4	-98.1	0	0	0	112.1	N399 I400 R407	N399-Y403 VanDerWaalsContact O-CB 3.27Å; N399-Y403 WeakPolarHBondContact O-CB 3.39Å; N399-Y403 PolarHBondContact O-N 3.37Å; I400-Y403 WeakPolarHBondContact O-CB 3.41Å; I400-Y403 PolarHBondContact O-N 2.86Å; I400-Y403 VanDerWaalsContact O-N 3.09Å; Y403-R407 VanDerWaalsContact O-CB 3.29Å; Y403-R407 WeakPolarHBondContact O-CB 3.49Å; Y403-R407 PolarHBondContact O-N 3.33Å
404	E	96.1	Very high	95.3	Very high	84 Å²	84	90.9 Å²	90.9	39%	0.393	46%	0.462	S	S	.	.	H	α-helix	trans	-65.5	-45.1	173.1	-68.9	176.8	137.2	0	0	111.6	I400 K401 R407 D408	I400-E404 HydrophobicContact CG2-CG 4.4Å; I400-E404 WeakPolarHBondContact O-CG 3.44Å; I400-E404 PolarHBondContact O-N 3.09Å; K401-E404 PolarHBondContact O-N 2.9Å; E404-R407 WeakPolarHBondContact O-CB 3.32Å; E404-R407 PolarHBondContact O-N 2.98Å; E404-D408 WeakPolarHBondContact O-CB 3.43Å; E404-D408 PolarHBondContact O-N 2.93Å
405	Q	96.8	Very high	95.3	Very high	49 Å²	49	91.6 Å²	91.6	23%	0.229	46%	0.463	C	S	.	.	H	α-helix	trans	-60.2	-50.5	175.4	-173.7	-160.9	-29.7	0	0	111.8	E235 K401 R402 R407 D408 E409	E235-Q405 PolarHBondContact OE2-NE2 2.84Å; K401-Q405 WeakPolarHBondContact O-CB 3.27Å; K401-Q405 PolarHBondContact O-N 2.8Å; R402-Q405 PolarHBondContact O-N 2.85Å; Q405-R407 VanDerWaalsContact C-N 3.28Å; Q405-R407 PolarHBondContact O-N 3.13Å; Q405-D408 PolarHBondContact O-N 3.24Å; Q405-D408 VanDerWaalsContact O-N 3.13Å; Q405-E409 WeakPolarHBondContact CG-OE1 3.46Å; Q405-E409 PolarHBondContact NE2-OE1 3.35Å; Q405-E409 WeakPolarHBondContact O-CB 3.32Å; Q405-E409 WeakPolarHBondContact O-CG 3.3Å; Q405-E409 PolarHBondContact O-N 2.95Å
406	I	96.3	Very high	95.4	Very high	85 Å²	85	93.5 Å²	93.5	44%	0.436	47%	0.468	S	S	.	.	H	α-helix	trans	-62.3	-35.2	178.6	-69.7	164.5	0	0	0	111.4	R402 L410	R402-I406 VanDerWaalsContact O-CB 3.32Å; R402-I406 WeakPolarHBondContact O-CB 3.4Å; R402-I406 WeakPolarHBondContact O-CD1 3.29Å; R402-I406 WeakPolarHBondContact O-CG1 3.49Å; R402-I406 PolarHBondContact O-N 3.42Å; I406-L410 VanDerWaalsContact O-CB 3.22Å; I406-L410 WeakPolarHBondContact O-CB 3.46Å; I406-L410 PolarHBondContact O-N 3.03Å
407	R	96.9	Very high	95.3	Very high	109 Å²	109	91.8 Å²	91.8	41%	0.411	46%	0.462	S	S	.	.	H	α-helix	trans	-64.8	-46.7	172.7	178.7	-158.8	66.2	-145.6	-6.7	111.3	Y403 E404 Q405 L410 E411	Y403-R407 VanDerWaalsContact O-CB 3.29Å; Y403-R407 WeakPolarHBondContact O-CB 3.49Å; Y403-R407 PolarHBondContact O-N 3.33Å; E404-R407 WeakPolarHBondContact O-CB 3.32Å; E404-R407 PolarHBondContact O-N 2.98Å; Q405-R407 VanDerWaalsContact C-N 3.28Å; Q405-R407 PolarHBondContact O-N 3.13Å; R407-L410 WeakPolarHBondContact O-CB 3.48Å; R407-L410 PolarHBondContact O-N 3.45Å; R407-E411 PolarHBondContact O-N 2.93Å
408	D	96.4	Very high	95.2	Very high	78 Å²	78	93.5 Å²	93.5	42%	0.417	47%	0.467	S	S	.	.	H	α-helix	trans	-71	-33.8	-176.6	-64.5	-1.5	0	0	0	111.3	E404 Q405 A412	E404-D408 WeakPolarHBondContact O-CB 3.43Å; E404-D408 PolarHBondContact O-N 2.93Å; Q405-D408 PolarHBondContact O-N 3.24Å; Q405-D408 VanDerWaalsContact O-N 3.13Å; D408-A412 WeakPolarHBondContact O-CB 3.49Å; D408-A412 PolarHBondContact O-N 2.72Å
409	E	96.6	Very high	95.1	Very high	82 Å²	82	97.9 Å²	97.9	38%	0.383	48%	0.48	S	S	.	.	H	α-helix	trans	-67.7	-38.1	169.2	-74.1	-176.8	-146.1	0	0	112.2	Q405 A412 S413	Q405-E409 WeakPolarHBondContact CG-OE1 3.46Å; Q405-E409 PolarHBondContact NE2-OE1 3.35Å; Q405-E409 WeakPolarHBondContact O-CB 3.32Å; Q405-E409 WeakPolarHBondContact O-CG 3.3Å; Q405-E409 PolarHBondContact O-N 2.95Å; E409-A412 PolarHBondContact O-N 3.48Å; E409-S413 VanDerWaalsContact O-CB 3.32Å; E409-S413 WeakPolarHBondContact O-CB 3.22Å; E409-S413 PolarHBondContact O-N 2.88Å
410	L	96.6	Very high	94.8	Very high	94 Å²	94	98.2 Å²	98.2	49%	0.492	48%	0.481	S	S	.	.	H	α-helix	trans	-65	-45.8	174	180	64	0	0	0	111.3	I406 R407 A412 S413 E414	I406-L410 VanDerWaalsContact O-CB 3.22Å; I406-L410 WeakPolarHBondContact O-CB 3.46Å; I406-L410 PolarHBondContact O-N 3.03Å; R407-L410 WeakPolarHBondContact O-CB 3.48Å; R407-L410 PolarHBondContact O-N 3.45Å; L410-A412 VanDerWaalsContact C-N 3.34Å; L410-A412 PolarHBondContact O-N 2.81Å; L410-S413 WeakPolarHBondContact O-CB 3.39Å; L410-S413 PolarHBondContact O-N 3.46Å; L410-S413 VanDerWaalsContact O-N 3.14Å; L410-E414 HydrophobicContact CD1-CG 4.25Å; L410-E414 HydrophobicContact CG-CG 4.46Å; L410-E414 WeakPolarHBondContact O-CB 3.48Å; L410-E414 WeakPolarHBondContact O-CG 3.38Å; L410-E414 PolarHBondContact O-N 2.99Å
411	E	96.6	Very high	94.5	Very high	130 Å²	130	101.3 Å²	101.3	61%	0.607	49%	0.494	S	S	*	.	H	α-helix	trans	-61.5	-41.3	176.4	-173.4	174.8	170.4	0	0	111.4	R407 S415	R407-E411 PolarHBondContact O-N 2.93Å; E411-S415 VanDerWaalsContact O-CB 3.28Å; E411-S415 WeakPolarHBondContact O-CB 3.28Å; E411-S415 PolarHBondContact O-N 2.89Å
412	A	96.1	Very high	94	Very high	53 Å²	53	97.3 Å²	97.3	44%	0.438	49%	0.494	S	S	.	.	H	α-helix	trans	-64.3	-38.2	173.2	0	0	0	0	0	112.6	D408 E409 L410 T416	D408-A412 WeakPolarHBondContact O-CB 3.49Å; D408-A412 PolarHBondContact O-N 2.72Å; E409-A412 PolarHBondContact O-N 3.48Å; L410-A412 VanDerWaalsContact C-N 3.34Å; L410-A412 PolarHBondContact O-N 2.81Å; A412-T416 WeakPolarHBondContact O-CB 3.48Å; A412-T416 PolarHBondContact O-N 3.16Å; A412-T416 PolarHBondContact O-OG1 3.31Å
413	S	95.1	Very high	93.5	Very high	60 Å²	60	91.6 Å²	91.6	42%	0.42	48%	0.479	S	S	.	.	H	α-helix	trans	-68.3	-46.9	176.6	-169.9	0	0	0	0	111.8	E409 L410 S415 T416 I417	E409-S413 VanDerWaalsContact O-CB 3.32Å; E409-S413 WeakPolarHBondContact O-CB 3.22Å; E409-S413 PolarHBondContact O-N 2.88Å; L410-S413 WeakPolarHBondContact O-CB 3.39Å; L410-S413 PolarHBondContact O-N 3.46Å; L410-S413 VanDerWaalsContact O-N 3.14Å; S413-S415 VanDerWaalsContact C-N 3.35Å; S413-S415 PolarHBondContact O-N 2.85Å; S413-T416 WeakPolarHBondContact O-CB 3.3Å; S413-T416 PolarHBondContact O-N 3.14Å; S413-T416 VanDerWaalsContact O-N 3.16Å; S413-I417 VanDerWaalsContact O-CG1 3.32Å; S413-I417 WeakPolarHBondContact O-CG1 3.32Å; S413-I417 PolarHBondContact O-N 2.97Å
414	E	95.9	Very high	92.9	Very high	97 Å²	97	86.9 Å²	86.9	45%	0.453	47%	0.47	S	S	.	.	H	α-helix	trans	-61.4	-41.7	175.8	-73	-178	-178.4	0	0	111.6	L410 I417 Q418	L410-E414 HydrophobicContact CD1-CG 4.25Å; L410-E414 HydrophobicContact CG-CG 4.46Å; L410-E414 WeakPolarHBondContact O-CB 3.48Å; L410-E414 WeakPolarHBondContact O-CG 3.38Å; L410-E414 PolarHBondContact O-N 2.99Å; E414-I417 PolarHBondContact O-N 3.48Å; E414-Q418 VanDerWaalsContact O-CG 3.3Å; E414-Q418 WeakPolarHBondContact O-CG 3.43Å; E414-Q418 PolarHBondContact O-N 2.97Å
415	S	93.5	Very high	92.3	Very high	72 Å²	72	88.5 Å²	88.5	50%	0.503	48%	0.481	S	S	.	.	H	α-helix	trans	-63.1	-40.1	173.6	-177.8	0	0	0	0	112.2	E411 S413 Q418 Q419	E411-S415 VanDerWaalsContact O-CB 3.28Å; E411-S415 WeakPolarHBondContact O-CB 3.28Å; E411-S415 PolarHBondContact O-N 2.89Å; S413-S415 VanDerWaalsContact C-N 3.35Å; S413-S415 PolarHBondContact O-N 2.85Å; S415-Q418 PolarHBondContact O-N 3.38Å; S415-Q419 WeakPolarHBondContact O-CB 3.49Å; S415-Q419 PolarHBondContact O-N 2.93Å
416	T	94.4	Very high	91.7	Very high	72 Å²	72	90.8 Å²	90.8	44%	0.442	50%	0.495	S	S	.	.	H	α-helix	trans	-66.9	-41.2	176.4	-56.8	0	0	0	0	111.5	A412 S413 Q419 L420	A412-T416 WeakPolarHBondContact O-CB 3.48Å; A412-T416 PolarHBondContact O-N 3.16Å; A412-T416 PolarHBondContact O-OG1 3.31Å; S413-T416 WeakPolarHBondContact O-CB 3.3Å; S413-T416 PolarHBondContact O-N 3.14Å; S413-T416 VanDerWaalsContact O-N 3.16Å; T416-Q419 PolarHBondContact O-N 3.11Å; T416-L420 HydrophobicContact CG2-CD1 4.04Å; T416-L420 HydrophobicContact CG2-CG 4.46Å; T416-L420 WeakPolarHBondContact O-CB 3.48Å; T416-L420 VanDerWaalsContact O-CG 3.31Å; T416-L420 WeakPolarHBondContact O-CG 3.38Å; T416-L420 PolarHBondContact O-N 3.35Å
417	I	92.1	Very high	91.2	Very high	79 Å²	79	90.9 Å²	90.9	41%	0.405	50%	0.497	S	S	.	.	H	α-helix	trans	-61.1	-49.6	175.3	-70.2	162.6	0	0	0	110	S413 E414 Q419 L420 E421	S413-I417 VanDerWaalsContact O-CG1 3.32Å; S413-I417 WeakPolarHBondContact O-CG1 3.32Å; S413-I417 PolarHBondContact O-N 2.97Å; E414-I417 PolarHBondContact O-N 3.48Å; I417-Q419 VanDerWaalsContact C-N 3.28Å; I417-Q419 PolarHBondContact O-N 2.83Å; I417-L420 PolarHBondContact O-N 2.71Å; I417-L420 VanDerWaalsContact O-N 3.11Å; I417-E421 HydrophobicContact CG2-CG 4.23Å; I417-E421 WeakPolarHBondContact O-CB 3.31Å; I417-E421 WeakPolarHBondContact O-CG 3.49Å; I417-E421 PolarHBondContact O-N 3.31Å
418	Q	91.8	Very high	90.8	Very high	129 Å²	129	88.1 Å²	88.1	60%	0.603	50%	0.497	S	S	*	.	H	α-helix	trans	-60.2	-36.5	177.5	-70.3	170.1	36.8	0	0	112.6	E414 S415 G422	E414-Q418 VanDerWaalsContact O-CG 3.3Å; E414-Q418 WeakPolarHBondContact O-CG 3.43Å; E414-Q418 PolarHBondContact O-N 2.97Å; S415-Q418 PolarHBondContact O-N 3.38Å; Q418-G422 PolarHBondContact O-N 2.95Å
419	Q	91.3	Very high	90.4	Very high	138 Å²	138	89 Å²	89	65%	0.645	50%	0.502	S	S	*	.	H	α-helix	trans	-67.7	-41.3	174.2	-174.3	179.7	0.6	0	0	112.2	S415 T416 I417 S423	S415-Q419 WeakPolarHBondContact O-CB 3.49Å; S415-Q419 PolarHBondContact O-N 2.93Å; T416-Q419 PolarHBondContact O-N 3.11Å; I417-Q419 VanDerWaalsContact C-N 3.28Å; I417-Q419 PolarHBondContact O-N 2.83Å; Q419-S423 WeakPolarHBondContact O-CB 3.4Å; Q419-S423 PolarHBondContact O-N 2.87Å; Q419-S423 PolarHBondContact O-OG 3.11Å
420	L	88.2	Confident	90.1	Very high	112 Å²	112	89.4 Å²	89.4	59%	0.586	50%	0.5	S	S	*	.	H	α-helix	trans	-68.8	-45.3	178	-71.8	170.3	0	0	0	111.7	T416 I417 S423 S424	T416-L420 HydrophobicContact CG2-CD1 4.04Å; T416-L420 HydrophobicContact CG2-CG 4.46Å; T416-L420 WeakPolarHBondContact O-CB 3.48Å; T416-L420 VanDerWaalsContact O-CG 3.31Å; T416-L420 WeakPolarHBondContact O-CG 3.38Å; T416-L420 PolarHBondContact O-N 3.35Å; I417-L420 PolarHBondContact O-N 2.71Å; I417-L420 VanDerWaalsContact O-N 3.11Å; L420-S423 PolarHBondContact O-N 3.39Å; L420-S423 PolarHBondContact O-OG 3.37Å; L420-S424 WeakPolarHBondContact O-CB 3.46Å; L420-S424 PolarHBondContact O-N 3.03Å
421	E	88.1	Confident	89.9	Confident	132 Å²	132	92.9 Å²	92.9	62%	0.617	51%	0.508	S	S	*	.	H	α-helix	trans	-61.7	-45.8	175	-70.1	179.2	159.8	0	0	111.2	I417 S423 S424	I417-E421 HydrophobicContact CG2-CG 4.23Å; I417-E421 WeakPolarHBondContact O-CB 3.31Å; I417-E421 WeakPolarHBondContact O-CG 3.49Å; I417-E421 PolarHBondContact O-N 3.31Å; E421-S423 VanDerWaalsContact C-N 3.31Å; E421-S423 PolarHBondContact O-N 2.82Å; E421-S424 WeakPolarHBondContact O-CB 3.38Å; E421-S424 PolarHBondContact O-N 3.35Å
422	G	84.6	Confident	89.8	Confident	63 Å²	63	92.2 Å²	92.2	65%	0.649	50%	0.503	S	S	*	.	H	α-helix	trans	-64.8	-29.7	178.1	0	0	0	0	0	114.4	Q418	Q418-G422 PolarHBondContact O-N 2.95Å
423	S	84.7	Confident	89.7	Confident	39 Å²	39	90.8 Å²	90.8	27%	0.273	49%	0.487	S	S	.	.	H	α-helix	trans	-95.6	-6.4	176.1	59.6	0	0	0	0	114	Q419 L420 E421 N425 D426 N427	Q419-S423 WeakPolarHBondContact O-CB 3.4Å; Q419-S423 PolarHBondContact O-N 2.87Å; Q419-S423 PolarHBondContact O-OG 3.11Å; L420-S423 PolarHBondContact O-N 3.39Å; L420-S423 PolarHBondContact O-OG 3.37Å; E421-S423 VanDerWaalsContact C-N 3.31Å; E421-S423 PolarHBondContact O-N 2.82Å; S423-N425 VanDerWaalsContact C-N 3.29Å; S423-N425 PolarHBondContact O-N 3.26Å; S423-D426 PolarHBondContact O-N 3.47Å; S423-N427 PolarHBondContact O-N 3.31Å; S423-N427 VanDerWaalsContact O-N 3.11Å; S423-N427 PolarHBondContact O-ND2 2.89Å
424	S	83.3	Confident	89.6	Confident	67 Å²	67	90.8 Å²	90.8	47%	0.469	48%	0.482	S	S	.	.	H	α-helix	trans	-62.3	-35	-177.2	-172.7	0	0	0	0	112.9	L420 E421 A428	L420-S424 WeakPolarHBondContact O-CB 3.46Å; L420-S424 PolarHBondContact O-N 3.03Å; E421-S424 WeakPolarHBondContact O-CB 3.38Å; E421-S424 PolarHBondContact O-N 3.35Å; S424-A428 WeakPolarHBondContact O-CB 3.47Å; S424-A428 PolarHBondContact O-N 3.46Å
425	N	82.4	Confident	89.6	Confident	118 Å²	118	90.3 Å²	90.3	63%	0.631	48%	0.479	S	S	*	.	H	α-helix	trans	-73.1	-47	-178.7	-65.5	-22.1	0	0	0	111.7	S423 N427 A428 D429	S423-N425 VanDerWaalsContact C-N 3.29Å; S423-N425 PolarHBondContact O-N 3.26Å; N425-N427 VanDerWaalsContact C-N 3.32Å; N425-N427 PolarHBondContact O-N 3.02Å; N425-A428 WeakPolarHBondContact O-CB 3.33Å; N425-A428 PolarHBondContact O-N 3.03Å; N425-D429 PolarHBondContact O-N 3.39Å
426	D	84.3	Confident	89.7	Confident	98 Å²	98	92.2 Å²	92.2	52%	0.524	48%	0.481	S	S	.	.	H	α-helix	trans	-58	-43.3	175.9	-179.3	74.2	0	0	0	111.6	S423 A428 R430	S423-D426 PolarHBondContact O-N 3.47Å; D426-A428 VanDerWaalsContact C-N 3.35Å; D426-A428 PolarHBondContact O-N 3.05Å; D426-R430 WeakPolarHBondContact O-CB 3.27Å; D426-R430 PolarHBondContact O-N 2.92Å
427	N	86.2	Confident	89.8	Confident	86 Å²	86	89.3 Å²	89.3	46%	0.46	46%	0.462	S	S	.	.	H	α-helix	trans	-65.3	-34.8	173.9	-75.9	-68.7	0	0	0	113.1	S423 N425 Y431	S423-N427 PolarHBondContact O-N 3.31Å; S423-N427 VanDerWaalsContact O-N 3.11Å; S423-N427 PolarHBondContact O-ND2 2.89Å; N425-N427 VanDerWaalsContact C-N 3.32Å; N425-N427 PolarHBondContact O-N 3.02Å; N427-Y431 VanDerWaalsContact O-CB 3.26Å; N427-Y431 WeakPolarHBondContact O-CB 3.45Å; N427-Y431 PolarHBondContact O-N 3.43Å
428	A	89.1	Confident	89.9	Confident	52 Å²	52	94 Å²	94	43%	0.43	48%	0.475	S	S	.	.	H	α-helix	trans	-71.5	-43.4	177.6	0	0	0	0	0	112.3	S424 N425 D426 Y431 K432	S424-A428 WeakPolarHBondContact O-CB 3.47Å; S424-A428 PolarHBondContact O-N 3.46Å; N425-A428 WeakPolarHBondContact O-CB 3.33Å; N425-A428 PolarHBondContact O-N 3.03Å; D426-A428 VanDerWaalsContact C-N 3.35Å; D426-A428 PolarHBondContact O-N 3.05Å; A428-Y431 PolarHBondContact O-N 3.19Å; A428-K432 WeakPolarHBondContact O-CB 3.21Å; A428-K432 PolarHBondContact O-N 2.92Å
429	D	88.4	Confident	90.2	Very high	96 Å²	96	89.3 Å²	89.3	51%	0.513	46%	0.461	S	S	.	.	H	α-helix	trans	-65.7	-41.5	175.7	-75.7	-37.8	0	0	0	111.2	N425 K432 F433	N425-D429 PolarHBondContact O-N 3.39Å; D429-K432 PolarHBondContact O-N 3.4Å; D429-F433 WeakPolarHBondContact O-CB 3.46Å; D429-F433 PolarHBondContact O-N 2.89Å
430	R	89.8	Confident	90.4	Very high	91 Å²	91	83.6 Å²	83.6	34%	0.343	43%	0.434	S	S	.	.	H	α-helix	trans	-61.3	-43.7	172.1	-177.6	174.4	177.3	174.9	-1.3	112.6	D426 L434 Y600 C603	D426-R430 WeakPolarHBondContact O-CB 3.27Å; D426-R430 PolarHBondContact O-N 2.92Å; R430-L434 HydrophobicContact CG-CD1 4.13Å; R430-L434 WeakPolarHBondContact O-CB 3.26Å; R430-L434 VanDerWaalsContact O-CG 3.27Å; R430-L434 WeakPolarHBondContact O-CG 3.32Å; R430-L434 PolarHBondContact O-N 2.94Å; R430-Y600 HydrophobicContact CB-CD1 4.33Å; R430-Y600 HydrophobicContact CB-CE1 3.69Å; R430-Y600 HydrophobicContact CG-CD1 3.85Å; R430-Y600 HydrophobicContact CG-CE1 3.73Å; R430-C603 PolarHBondContact NE-SG 2.9Å; R430-C603 PolarHBondContact NH2-SG 3.39Å
431	Y	92	Very high	90.8	Very high	166 Å²	166	80.1 Å²	80.1	65%	0.651	42%	0.417	S	S	*	.	H	α-helix	trans	-62.7	-46.1	175.8	173.1	-98.3	0	0	0	111.5	N427 A428 L434 Q435	N427-Y431 VanDerWaalsContact O-CB 3.26Å; N427-Y431 WeakPolarHBondContact O-CB 3.45Å; N427-Y431 PolarHBondContact O-N 3.43Å; A428-Y431 PolarHBondContact O-N 3.19Å; Y431-L434 PolarHBondContact O-N 2.97Å; Y431-Q435 WeakPolarHBondContact O-CB 3.18Å; Y431-Q435 PolarHBondContact O-N 3.23Å
432	K	94.6	Very high	91.3	Very high	116 Å²	116	75.6 Å²	75.6	50%	0.504	41%	0.405	S	S	.	.	H	α-helix	trans	-57.8	-51.6	176.2	178.1	-173.2	166.6	-170.1	0	111	A428 D429 L434 Q435 E436	A428-K432 WeakPolarHBondContact O-CB 3.21Å; A428-K432 PolarHBondContact O-N 2.92Å; D429-K432 PolarHBondContact O-N 3.4Å; K432-L434 VanDerWaalsContact C-N 3.35Å; K432-L434 PolarHBondContact O-N 2.87Å; K432-Q435 PolarHBondContact O-N 3.42Å; K432-E436 WeakPolarHBondContact CE-OE1 3.3Å; K432-E436 HydrophobicContact CG-CG 4.48Å; K432-E436 IonicContact NZ-OE1 3.99Å; K432-E436 WeakPolarHBondContact O-CG 3.46Å; K432-E436 PolarHBondContact O-N 3.36Å
433	F	94.1	Very high	91.9	Very high	24 Å²	24	76.7 Å²	76.7	11%	0.105	40%	0.396	C	S	.	.	H	α-helix	trans	-56.8	-46.4	178.2	175.6	-93.2	0	0	0	112.2	D429 Q435 E436 M437 V595 W596 Y600	D429-F433 WeakPolarHBondContact O-CB 3.46Å; D429-F433 PolarHBondContact O-N 2.89Å; F433-Q435 VanDerWaalsContact C-N 3.32Å; F433-Q435 PolarHBondContact O-N 2.76Å; F433-E436 PolarHBondContact O-N 3.36Å; F433-M437 HydrophobicContact CD1-CG 4.19Å; F433-M437 HydrophobicContact CD2-CG 4.36Å; F433-M437 HydrophobicContact CE1-CG 3.62Å; F433-M437 HydrophobicContact CE2-CG 3.83Å; F433-M437 HydrophobicContact CE2-SD 4.4Å; F433-M437 HydrophobicContact CZ-CG 3.42Å; F433-M437 VanDerWaalsContact CZ-CG 3.42Å; F433-M437 HydrophobicContact CZ-SD 4.15Å; F433-M437 WeakPolarHBondContact O-CB 3.32Å; F433-M437 WeakPolarHBondContact O-CG 3.41Å; F433-M437 PolarHBondContact O-N 3.05Å; F433-V595 HydrophobicContact CE2-CG1 3.88Å; F433-V595 HydrophobicContact CZ-CG1 4.32Å; F433-W596 HydrophobicContact CE1-CB 4.07Å; F433-W596 AromaticContact CE1-CD1 3.71Å; F433-W596 HydrophobicContact CE1-CD2 4.32Å; F433-W596 AromaticContact CE1-CG 3.77Å; F433-W596 HydrophobicContact CE1-CG 3.77Å; F433-W596 HydrophobicContact CZ-CB 3.8Å; F433-W596 HydrophobicContact CZ-CG 4.03Å; F433-Y600 HydrophobicContact CB-CE2 3.8Å; F433-Y600 AromaticContact CD1-CD2 3.37Å; F433-Y600 HydrophobicContact CD1-CD2 3.37Å; F433-Y600 AromaticContact CD1-CE2 3.39Å; F433-Y600 HydrophobicContact CD1-CE2 3.39Å; F433-Y600 HydrophobicContact CD1-CG 4.33Å; F433-Y600 HydrophobicContact CD2-CD2 4.47Å; F433-Y600 AromaticContact CD2-CE2 3.91Å; F433-Y600 HydrophobicContact CD2-CE2 3.91Å; F433-Y600 AromaticContact CE1-CD2 3.54Å; F433-Y600 HydrophobicContact CE1-CD2 3.54Å; F433-Y600 AromaticContact CE1-CE2 3.93Å; F433-Y600 HydrophobicContact CE1-CE2 3.93Å; F433-Y600 HydrophobicContact CE2-CE2 4.38Å; F433-Y600 AromaticContact CG-CD2 3.9Å; F433-Y600 HydrophobicContact CG-CD2 3.9Å; F433-Y600 AromaticContact CG-CE2 3.39Å; F433-Y600 HydrophobicContact CG-CE2 3.39Å; F433-Y600 HydrophobicContact CZ-CD2 4.16Å; F433-Y600 HydrophobicContact CZ-CE2 4.39Å
434	L	93.7	Very high	92.4	Very high	59 Å²	59	74.9 Å²	74.9	31%	0.309	38%	0.383	S	S	.	.	H	α-helix	trans	-65.6	-34.4	179.4	-71.2	171.1	0	0	0	112.4	R430 Y431 K432 R438 W596 C603	R430-L434 HydrophobicContact CG-CD1 4.13Å; R430-L434 WeakPolarHBondContact O-CB 3.26Å; R430-L434 VanDerWaalsContact O-CG 3.27Å; R430-L434 WeakPolarHBondContact O-CG 3.32Å; R430-L434 PolarHBondContact O-N 2.94Å; Y431-L434 PolarHBondContact O-N 2.97Å; K432-L434 VanDerWaalsContact C-N 3.35Å; K432-L434 PolarHBondContact O-N 2.87Å; L434-R438 WeakPolarHBondContact O-CB 3.37Å; L434-R438 PolarHBondContact O-N 3.03Å; L434-W596 HydrophobicContact CD2-CZ2 3.96Å; L434-C603 HydrophobicContact CD2-CB 4.24Å
435	Q	95.4	Very high	93.1	Very high	87 Å²	87	76.2 Å²	76.2	41%	0.407	39%	0.385	S	S	.	.	H	α-helix	trans	-75.1	-36.7	176.1	-177.5	59.9	22.8	0	0	112.3	Y431 K432 F433 R438 G439	Y431-Q435 WeakPolarHBondContact O-CB 3.18Å; Y431-Q435 PolarHBondContact O-N 3.23Å; K432-Q435 PolarHBondContact O-N 3.42Å; F433-Q435 VanDerWaalsContact C-N 3.32Å; F433-Q435 PolarHBondContact O-N 2.76Å; Q435-R438 PolarHBondContact O-N 2.91Å; Q435-G439 PolarHBondContact O-N 2.96Å
436	E	95.9	Very high	93.7	Very high	113 Å²	113	77.3 Å²	77.3	53%	0.528	39%	0.386	S	S	.	.	H	α-helix	trans	-64.7	-46.3	171.7	-74	177.8	179.3	0	0	111.3	K432 F433 R438 G439 Y440	K432-E436 WeakPolarHBondContact CE-OE1 3.3Å; K432-E436 HydrophobicContact CG-CG 4.48Å; K432-E436 IonicContact NZ-OE1 3.99Å; K432-E436 WeakPolarHBondContact O-CG 3.46Å; K432-E436 PolarHBondContact O-N 3.36Å; F433-E436 PolarHBondContact O-N 3.36Å; E436-R438 VanDerWaalsContact C-N 3.33Å; E436-R438 PolarHBondContact O-N 3.47Å; E436-G439 PolarHBondContact O-N 2.87Å; E436-Y440 PolarHBondContact O-N 3.35Å
437	M	95.3	Very high	94.3	Very high	10 Å²	10	73.8 Å²	73.8	5%	0.049	37%	0.369	C	S	.	.	H	α-helix	trans	-64.4	-35.1	174.4	-76.2	-58.9	-67.2	0	0	112.6	F433 Y440 V441 R592 F593 W596	F433-M437 HydrophobicContact CD1-CG 4.19Å; F433-M437 HydrophobicContact CD2-CG 4.36Å; F433-M437 HydrophobicContact CE1-CG 3.62Å; F433-M437 HydrophobicContact CE2-CG 3.83Å; F433-M437 HydrophobicContact CE2-SD 4.4Å; F433-M437 HydrophobicContact CZ-CG 3.42Å; F433-M437 VanDerWaalsContact CZ-CG 3.42Å; F433-M437 HydrophobicContact CZ-SD 4.15Å; F433-M437 WeakPolarHBondContact O-CB 3.32Å; F433-M437 WeakPolarHBondContact O-CG 3.41Å; F433-M437 PolarHBondContact O-N 3.05Å; M437-Y440 HydrophobicContact CE-CD1 4.3Å; M437-Y440 HydrophobicContact SD-CD1 4.44Å; M437-V441 WeakPolarHBondContact O-CB 3.45Å; M437-V441 VanDerWaalsContact O-CG2 3.25Å; M437-V441 WeakPolarHBondContact O-CG2 3.39Å; M437-V441 PolarHBondContact O-N 3.34Å; M437-R592 HydrophobicContact CE-CB 4.21Å; M437-R592 HydrophobicContact SD-CB 4.41Å; M437-F593 HydrophobicContact CE-CD1 4.43Å; M437-F593 HydrophobicContact CE-CE1 4.36Å; M437-W596 HydrophobicContact CE-CD2 4.49Å; M437-W596 HydrophobicContact CE-CE3 3.68Å; M437-W596 HydrophobicContact CE-CZ3 4.27Å
438	R	95.2	Very high	94.8	Very high	179 Å²	179	70.4 Å²	70.4	68%	0.675	35%	0.35	S	S	*	.	H	α-helix	trans	-63.8	-40.7	173.3	179.3	-177.1	173.7	-155.9	-0.3	111.9	L434 Q435 E436 G442	L434-R438 WeakPolarHBondContact O-CB 3.37Å; L434-R438 PolarHBondContact O-N 3.03Å; Q435-R438 PolarHBondContact O-N 2.91Å; E436-R438 VanDerWaalsContact C-N 3.33Å; E436-R438 PolarHBondContact O-N 3.47Å; R438-G442 PolarHBondContact O-N 3.36Å
439	G	96.9	Very high	95.2	Very high	30 Å²	30	71.9 Å²	71.9	31%	0.309	36%	0.358	S	S	.	.	H	α-helix	trans	-60.6	-58.7	172.6	0	0	0	0	0	111	Q435 E436 V441 G442 D443	Q435-G439 PolarHBondContact O-N 2.96Å; E436-G439 PolarHBondContact O-N 2.87Å; G439-V441 VanDerWaalsContact C-N 3.3Å; G439-V441 PolarHBondContact O-N 3.15Å; G439-G442 WeakPolarHBondContact O-CA 3.42Å; G439-G442 PolarHBondContact O-N 3.08Å; G439-D443 VanDerWaalsContact O-CG 3.3Å; G439-D443 PolarHBondContact O-N 2.86Å
440	Y	97.3	Very high	95.5	Very high	18 Å²	18	73.4 Å²	73.4	7%	0.071	36%	0.362	C	S	.	.	H	α-helix	trans	-53	-42.8	179.4	173.7	-104.6	0	0	0	113.6	E436 M437 L444 D582 F583 I589 R592	E436-Y440 PolarHBondContact O-N 3.35Å; M437-Y440 HydrophobicContact CE-CD1 4.3Å; M437-Y440 HydrophobicContact SD-CD1 4.44Å; Y440-L444 HydrophobicContact CE1-CD2 4.1Å; Y440-L444 WeakPolarHBondContact O-CB 3.26Å; Y440-L444 PolarHBondContact O-N 2.88Å; Y440-D582 WeakPolarHBondContact CE2-O 3.39Å; Y440-D582 PolarHBondContact OH-O 3.49Å; Y440-F583 HydrophobicContact CD2-CD1 4.26Å; Y440-F583 AromaticContact CD2-CE1 3.46Å; Y440-F583 HydrophobicContact CD2-CE1 3.46Å; Y440-F583 VanDerWaalsContact CD2-CE1 3.46Å; Y440-F583 AromaticContact CD2-CZ 3.96Å; Y440-F583 HydrophobicContact CD2-CZ 3.96Å; Y440-F583 AromaticContact CE2-CD1 3.8Å; Y440-F583 HydrophobicContact CE2-CD1 3.8Å; Y440-F583 AromaticContact CE2-CE1 3.45Å; Y440-F583 HydrophobicContact CE2-CE1 3.45Å; Y440-F583 VanDerWaalsContact CE2-CE1 3.45Å; Y440-F583 HydrophobicContact CE2-CZ 4.14Å; Y440-F583 HydrophobicContact CG-CE1 4.48Å; Y440-I589 WeakPolarHBondContact OH-CA 3.37Å; Y440-I589 WeakPolarHBondContact OH-CG1 3.15Å; Y440-R592 HydrophobicContact CD1-CB 4.35Å; Y440-R592 HydrophobicContact CD1-CG 4.35Å; Y440-R592 HydrophobicContact CE1-CB 3.83Å; Y440-R592 HydrophobicContact CE1-CG 3.78Å; Y440-R592 HydrophobicContact CE2-CG 4.42Å
441	V	96.5	Very high	95.8	Very high	39 Å²	39	70 Å²	70	24%	0.236	35%	0.349	C	S	.	.	H	α-helix	trans	-71.1	-30.8	176.8	172.6	0	0	0	0	112	M437 G439 L445 F593	M437-V441 WeakPolarHBondContact O-CB 3.45Å; M437-V441 VanDerWaalsContact O-CG2 3.25Å; M437-V441 WeakPolarHBondContact O-CG2 3.39Å; M437-V441 PolarHBondContact O-N 3.34Å; G439-V441 VanDerWaalsContact C-N 3.3Å; G439-V441 PolarHBondContact O-N 3.15Å; V441-L445 HydrophobicContact CG1-CD1 3.87Å; V441-L445 HydrophobicContact CG1-CG 4.35Å; V441-L445 VanDerWaalsContact O-CB 3.32Å; V441-L445 WeakPolarHBondContact O-CB 3.25Å; V441-L445 WeakPolarHBondContact O-CD1 2.82Å; V441-L445 WeakPolarHBondContact O-CG 3.33Å; V441-L445 PolarHBondContact O-N 3.33Å; V441-F593 HydrophobicContact CG2-CE1 4.24Å; V441-F593 HydrophobicContact CG2-CZ 3.83Å
442	G	96.8	Very high	96.1	Very high	36 Å²	36	63.5 Å²	63.5	37%	0.371	33%	0.327	S	S	.	.	H	α-helix	trans	-61.1	-57.6	169.6	0	0	0	0	0	111.5	R438 G439 L444 L445 E446	R438-G442 PolarHBondContact O-N 3.36Å; G439-G442 WeakPolarHBondContact O-CA 3.42Å; G439-G442 PolarHBondContact O-N 3.08Å; G442-L444 VanDerWaalsContact C-N 3.3Å; G442-L444 PolarHBondContact O-N 3.23Å; G442-L445 PolarHBondContact O-N 3.06Å; G442-L445 VanDerWaalsContact O-N 3.08Å; G442-E446 PolarHBondContact O-N 2.89Å
443	D	97.2	Very high	96.2	Very high	87 Å²	87	61 Å²	61	47%	0.465	32%	0.322	S	S	.	.	H	α-helix	trans	-57.5	-42	-179.6	-53.4	-21	0	0	0	111.7	G439 E446 C447 F583	G439-D443 VanDerWaalsContact O-CG 3.3Å; G439-D443 PolarHBondContact O-N 2.86Å; D443-E446 PolarHBondContact O-N 2.9Å; D443-C447 WeakPolarHBondContact O-CB 3.47Å; D443-C447 PolarHBondContact O-N 3.36Å; D443-F583 HydrophobicContact CB-CD1 4.46Å; D443-F583 HydrophobicContact CB-CE1 3.58Å; D443-F583 HydrophobicContact CB-CZ 3.74Å
444	L	96.9	Very high	96.4	Very high	0 Å²	0	61.6 Å²	61.6	0%	0	33%	0.332	C	S	.	.	H	α-helix	trans	-64.2	-40.1	176.5	-179	61.7	0	0	0	112.4	Y440 G442 F448 F583 I589 L616	Y440-L444 HydrophobicContact CE1-CD2 4.1Å; Y440-L444 WeakPolarHBondContact O-CB 3.26Å; Y440-L444 PolarHBondContact O-N 2.88Å; G442-L444 VanDerWaalsContact C-N 3.3Å; G442-L444 PolarHBondContact O-N 3.23Å; L444-F448 HydrophobicContact CD1-CD1 4.21Å; L444-F448 HydrophobicContact CD1-CE1 3.74Å; L444-F448 HydrophobicContact CD1-CE2 4.22Å; L444-F448 HydrophobicContact CD1-CZ 3.75Å; L444-F448 HydrophobicContact CG-CE2 4.45Å; L444-F448 HydrophobicContact CG-CZ 4.45Å; L444-F448 WeakPolarHBondContact O-CB 3.16Å; L444-F448 WeakPolarHBondContact O-CG 3.32Å; L444-F448 PolarHBondContact O-N 2.95Å; L444-F583 HydrophobicContact CB-CD1 3.91Å; L444-F583 HydrophobicContact CB-CE1 4.29Å; L444-F583 HydrophobicContact CD1-CB 4.27Å; L444-F583 HydrophobicContact CD1-CD1 4.06Å; L444-F583 WeakPolarHBondContact CD1-O 3.39Å; L444-I589 HydrophobicContact CD1-CD1 3.93Å; L444-I589 HydrophobicContact CD1-CG1 4.14Å; L444-I589 HydrophobicContact CD2-CG1 4.4Å; L444-I589 HydrophobicContact CD2-CG2 3.99Å; L444-L616 HydrophobicContact CD2-CD1 3.9Å; L444-L616 HydrophobicContact CD2-CD2 4.08Å; L444-L616 HydrophobicContact CD2-CG 4.42Å; L444-L616 HydrophobicContact CG-CD1 4.33Å
445	L	96.4	Very high	96.6	Very high	96 Å²	96	58.8 Å²	58.8	50%	0.503	32%	0.317	S	S	.	.	H	α-helix	trans	-74.7	-32.2	177.5	-72.3	173.1	0	0	0	112.4	V441 G442 F448 S449	V441-L445 HydrophobicContact CG1-CD1 3.87Å; V441-L445 HydrophobicContact CG1-CG 4.35Å; V441-L445 VanDerWaalsContact O-CB 3.32Å; V441-L445 WeakPolarHBondContact O-CB 3.25Å; V441-L445 WeakPolarHBondContact O-CD1 2.82Å; V441-L445 WeakPolarHBondContact O-CG 3.33Å; V441-L445 PolarHBondContact O-N 3.33Å; G442-L445 PolarHBondContact O-N 3.06Å; G442-L445 VanDerWaalsContact O-N 3.08Å; L445-F448 PolarHBondContact O-N 3.45Å; L445-S449 WeakPolarHBondContact O-CB 3.14Å; L445-S449 PolarHBondContact O-N 2.99Å
446	E	96.5	Very high	96.6	Very high	141 Å²	141	58 Å²	58	66%	0.659	32%	0.315	S	S	*	.	H	α-helix	trans	-65.8	-49.8	171.7	-175.9	164.9	-162.4	0	0	110.7	G442 D443 F448 S449 E450	G442-E446 PolarHBondContact O-N 2.89Å; D443-E446 PolarHBondContact O-N 2.9Å; E446-F448 VanDerWaalsContact C-N 3.32Å; E446-F448 PolarHBondContact O-N 2.87Å; E446-S449 WeakPolarHBondContact O-CB 3.34Å; E446-S449 PolarHBondContact O-N 3.35Å; E446-S449 PolarHBondContact O-OG 3.35Å; E446-E450 PolarHBondContact O-N 2.96Å
447	C	96.8	Very high	96.7	Very high	23 Å²	23	59.4 Å²	59.4	16%	0.155	32%	0.322	C	S	.	.	H	α-helix	trans	-52	-49.3	171.3	175.7	0	0	0	0	111.7	D443 S449 E450 K451	D443-C447 WeakPolarHBondContact O-CB 3.47Å; D443-C447 PolarHBondContact O-N 3.36Å; C447-S449 VanDerWaalsContact C-N 3.3Å; C447-S449 PolarHBondContact O-N 3.49Å; C447-E450 PolarHBondContact O-N 3.41Å; C447-K451 WeakPolarHBondContact O-CG 3.42Å; C447-K451 PolarHBondContact O-N 3.21Å
448	F	96.9	Very high	96.9	Very high	15 Å²	15	59.9 Å²	59.9	7%	0.066	32%	0.324	C	S	.	.	H	α-helix	trans	-66.7	-29	178	-77.8	9.3	0	0	0	113	L444 L445 E446 E450 V452 F576 F583 I589 L616 L620	L444-F448 HydrophobicContact CD1-CD1 4.21Å; L444-F448 HydrophobicContact CD1-CE1 3.74Å; L444-F448 HydrophobicContact CD1-CE2 4.22Å; L444-F448 HydrophobicContact CD1-CZ 3.75Å; L444-F448 HydrophobicContact CG-CE2 4.45Å; L444-F448 HydrophobicContact CG-CZ 4.45Å; L444-F448 WeakPolarHBondContact O-CB 3.16Å; L444-F448 WeakPolarHBondContact O-CG 3.32Å; L444-F448 PolarHBondContact O-N 2.95Å; L445-F448 PolarHBondContact O-N 3.45Å; E446-F448 VanDerWaalsContact C-N 3.32Å; E446-F448 PolarHBondContact O-N 2.87Å; F448-E450 VanDerWaalsContact C-N 3.26Å; F448-E450 PolarHBondContact O-N 3.38Å; F448-V452 HydrophobicContact CB-CG2 3.76Å; F448-V452 HydrophobicContact CD2-CG2 4.47Å; F448-V452 HydrophobicContact CG-CG2 4.05Å; F448-V452 WeakPolarHBondContact O-CB 3.38Å; F448-V452 WeakPolarHBondContact O-CG2 3.12Å; F448-V452 PolarHBondContact O-N 3.01Å; F448-F576 HydrophobicContact CE1-CE1 4.46Å; F448-F576 HydrophobicContact CE1-CZ 4.48Å; F448-F583 WeakPolarHBondContact CE1-O 3.12Å; F448-I589 HydrophobicContact CZ-CD1 4.07Å; F448-L616 HydrophobicContact CD2-CD1 4.06Å; F448-L616 HydrophobicContact CE2-CD1 3.72Å; F448-L616 HydrophobicContact CE2-CG 4.14Å; F448-L616 WeakPolarHBondContact CE2-O 3.43Å; F448-L620 HydrophobicContact CE1-CD2 4.39Å; F448-L620 HydrophobicContact CZ-CD1 4.25Å; F448-L620 HydrophobicContact CZ-CD2 4.29Å; F448-L620 HydrophobicContact CZ-CG 4.25Å
449	S	96.4	Very high	97	Very high	84 Å²	84	51.6 Å²	51.6	59%	0.587	29%	0.293	S	S	*	.	H	α-helix	trans	-62.6	-33.4	176.6	81.2	0	0	0	0	112.6	L445 E446 C447 P453	L445-S449 WeakPolarHBondContact O-CB 3.14Å; L445-S449 PolarHBondContact O-N 2.99Å; E446-S449 WeakPolarHBondContact O-CB 3.34Å; E446-S449 PolarHBondContact O-N 3.35Å; E446-S449 PolarHBondContact O-OG 3.35Å; C447-S449 VanDerWaalsContact C-N 3.3Å; C447-S449 PolarHBondContact O-N 3.49Å; S449-P453 WeakPolarHBondContact O-CD 3.33Å; S449-P453 WeakPolarHBondContact O-CG 3.37Å
450	E	95.6	Very high	97	Very high	128 Å²	128	52.9 Å²	52.9	60%	0.598	30%	0.301	S	S	*	.	H	α-helix	trans	-85	-50.5	174.5	-166.5	-162.2	111.3	0	0	112.2	E446 C447 F448 P453	E446-E450 PolarHBondContact O-N 2.96Å; C447-E450 PolarHBondContact O-N 3.41Å; F448-E450 VanDerWaalsContact C-N 3.26Å; F448-E450 PolarHBondContact O-N 3.38Å; E450-P453 WeakPolarHBondContact O-CD 3.42Å
451	K	96.4	Very high	97.1	Very high	18 Å²	18	54 Å²	54	8%	0.078	31%	0.314	C	S	.	.	H	α-helix	trans	-79.4	-29.3	-168.8	-55.5	-47.5	-168.8	-172.5	0	113.9	C447 A454 V455 V575 F576 D578 V579	C447-K451 WeakPolarHBondContact O-CG 3.42Å; C447-K451 PolarHBondContact O-N 3.21Å; K451-A454 PolarHBondContact O-N 2.67Å; K451-V455 PolarHBondContact O-N 2.88Å; K451-V455 VanDerWaalsContact O-N 3.15Å; K451-V575 HydrophobicContact CB-CG1 4.21Å; K451-V575 WeakPolarHBondContact CD-O 3.35Å; K451-F576 HydrophobicContact CB-CD1 4.21Å; K451-F576 HydrophobicContact CB-CE1 3.51Å; K451-F576 HydrophobicContact CB-CZ 3.79Å; K451-F576 HydrophobicContact CG-CD1 3.95Å; K451-F576 HydrophobicContact CG-CE1 3.65Å; K451-F576 HydrophobicContact CG-CZ 4.42Å; K451-D578 WeakPolarHBondContact CE-OD1 3.33Å; K451-D578 VanDerWaalsContact NZ-CG 3.25Å; K451-D578 IonicContact NZ-OD1 2.62Å; K451-D578 PolarHBondContact NZ-OD1 3.08Å; K451-D578 IonicContact NZ-OD2 2.83Å; K451-D578 PolarHBondContact NZ-OD2 2.93Å; K451-V579 HydrophobicContact CG-CG2 4.42Å
452	V	96.8	Very high	97.2	Very high	31 Å²	31	52.3 Å²	52.3	19%	0.188	30%	0.304	C	S	.	.	H	α-helix	trans	-63.7	-43.7	-179.7	176.7	0	0	0	0	112.5	F448 A454 V455 L456 P619	F448-V452 HydrophobicContact CB-CG2 3.76Å; F448-V452 HydrophobicContact CD2-CG2 4.47Å; F448-V452 HydrophobicContact CG-CG2 4.05Å; F448-V452 WeakPolarHBondContact O-CB 3.38Å; F448-V452 WeakPolarHBondContact O-CG2 3.12Å; F448-V452 PolarHBondContact O-N 3.01Å; V452-A454 VanDerWaalsContact C-N 3.29Å; V452-A454 PolarHBondContact O-N 2.95Å; V452-V455 WeakPolarHBondContact O-CB 3.17Å; V452-V455 PolarHBondContact O-N 3.33Å; V452-V455 VanDerWaalsContact O-N 3.13Å; V452-L456 HydrophobicContact CG1-CD1 4.12Å; V452-L456 HydrophobicContact CG1-CG 4.24Å; V452-L456 WeakPolarHBondContact O-CG 3.46Å; V452-L456 PolarHBondContact O-N 2.94Å; V452-P619 HydrophobicContact CB-CB 4.47Å; V452-P619 HydrophobicContact CG1-CB 4.14Å; V452-P619 HydrophobicContact CG1-CG 4.05Å; V452-P619 HydrophobicContact CG2-CB 3.64Å; V452-P619 HydrophobicContact CG2-CG 3.61Å
453	P	97.6	Very high	97.2	Very high	63 Å²	63	51.7 Å²	51.7	41%	0.409	29%	0.291	S	S	.	.	H	α-helix	trans	-47.1	-47.2	168.1	-31.7	35.7	0	0	0	114.1	S449 E450 V455 L456 E457	S449-P453 WeakPolarHBondContact O-CD 3.33Å; S449-P453 WeakPolarHBondContact O-CG 3.37Å; E450-P453 WeakPolarHBondContact O-CD 3.42Å; P453-V455 PolarHBondContact O-N 2.94Å; P453-L456 WeakPolarHBondContact O-CB 3.48Å; P453-L456 PolarHBondContact O-N 3.29Å; P453-L456 VanDerWaalsContact O-N 3.14Å; P453-E457 WeakPolarHBondContact O-CG 3.46Å; P453-E457 PolarHBondContact O-N 3.38Å
454	A	97.4	Very high	97.2	Very high	36 Å²	36	51.9 Å²	51.9	30%	0.298	29%	0.289	S	S	.	.	H	α-helix	trans	-64.4	-38.5	178.7	0	0	0	0	0	113	K451 V452 L456 E457 L458 V575	K451-A454 PolarHBondContact O-N 2.67Å; V452-A454 VanDerWaalsContact C-N 3.29Å; V452-A454 PolarHBondContact O-N 2.95Å; A454-L456 VanDerWaalsContact C-N 3.33Å; A454-L456 PolarHBondContact O-N 3.36Å; A454-E457 PolarHBondContact O-N 2.73Å; A454-L458 WeakPolarHBondContact O-CG 3.4Å; A454-L458 PolarHBondContact O-N 2.99Å; A454-V575 HydrophobicContact CB-CG1 4.24Å
455	V	97.7	Very high	97.3	Very high	1 Å²	1	52.8 Å²	52.8	1%	0.006	29%	0.294	C	S	.	.	H	α-helix	trans	-61	-42.8	171.9	179.2	0	0	0	0	111.2	K451 V452 P453 L458 E459 V575 F576 R622 L623	K451-V455 PolarHBondContact O-N 2.88Å; K451-V455 VanDerWaalsContact O-N 3.15Å; V452-V455 WeakPolarHBondContact O-CB 3.17Å; V452-V455 PolarHBondContact O-N 3.33Å; V452-V455 VanDerWaalsContact O-N 3.13Å; P453-V455 PolarHBondContact O-N 2.94Å; V455-L458 PolarHBondContact O-N 3.25Å; V455-E459 PolarHBondContact O-N 3.33Å; V455-V575 HydrophobicContact CG2-CG1 3.87Å; V455-F576 HydrophobicContact CG2-CE2 4.41Å; V455-R622 HydrophobicContact CG1-CB 4.29Å; V455-L623 HydrophobicContact CG1-CB 3.95Å; V455-L623 HydrophobicContact CG1-CD1 4.33Å; V455-L623 HydrophobicContact CG2-CB 4.36Å; V455-L623 HydrophobicContact CG2-CD1 4.27Å; V455-L623 HydrophobicContact CG2-CD2 4.35Å
456	L	97	Very high	97.3	Very high	69 Å²	69	48.8 Å²	48.8	36%	0.361	27%	0.273	S	S	.	.	H	α-helix	trans	-66.8	-39	179.6	-64.6	174.7	0	0	0	112.1	V452 P453 A454 A460 R622	V452-L456 HydrophobicContact CG1-CD1 4.12Å; V452-L456 HydrophobicContact CG1-CG 4.24Å; V452-L456 WeakPolarHBondContact O-CG 3.46Å; V452-L456 PolarHBondContact O-N 2.94Å; P453-L456 WeakPolarHBondContact O-CB 3.48Å; P453-L456 PolarHBondContact O-N 3.29Å; P453-L456 VanDerWaalsContact O-N 3.14Å; A454-L456 VanDerWaalsContact C-N 3.33Å; A454-L456 PolarHBondContact O-N 3.36Å; L456-A460 VanDerWaalsContact O-CB 3.28Å; L456-A460 WeakPolarHBondContact O-CB 3.45Å; L456-A460 PolarHBondContact O-N 3.01Å; L456-R622 VanDerWaalsContact CD2-NH1 3.33Å; L456-R622 VanDerWaalsContact CD2-NH2 3.34Å
457	E	98	Very high	97.4	Very high	144 Å²	144	46.9 Å²	46.9	67%	0.673	26%	0.26	S	S	*	.	H	α-helix	trans	-66.1	-43.4	175.8	-73.4	-173.5	174.4	0	0	112.2	P453 A454 A460 A461	P453-E457 WeakPolarHBondContact O-CG 3.46Å; P453-E457 PolarHBondContact O-N 3.38Å; A454-E457 PolarHBondContact O-N 2.73Å; E457-A460 PolarHBondContact O-N 3.44Å; E457-A461 WeakPolarHBondContact O-CB 3.47Å; E457-A461 PolarHBondContact O-N 2.99Å
458	L	98.2	Very high	97.4	Very high	20 Å²	20	50.3 Å²	50.3	11%	0.105	27%	0.273	C	S	.	.	H	α-helix	trans	-67.6	-37.5	177.1	-70.6	168	0	0	0	112.5	A454 V455 A461 M462 I568 E571 V575 I626	A454-L458 WeakPolarHBondContact O-CG 3.4Å; A454-L458 PolarHBondContact O-N 2.99Å; V455-L458 PolarHBondContact O-N 3.25Å; L458-A461 PolarHBondContact O-N 3.22Å; L458-M462 PolarHBondContact O-N 3.18Å; L458-I568 HydrophobicContact CB-CG2 4.48Å; L458-I568 HydrophobicContact CD2-CG2 4.19Å; L458-E571 HydrophobicContact CD2-CB 3.75Å; L458-V575 HydrophobicContact CD1-CG2 3.46Å; L458-V575 VanDerWaalsContact CD1-CG2 3.46Å; L458-I626 HydrophobicContact CB-CD1 3.76Å
459	E	97.6	Very high	97.4	Very high	5 Å²	5	51.7 Å²	51.7	2%	0.023	28%	0.278	C	S	.	.	H	α-helix	trans	-65.4	-42.9	171.3	-179.9	166.3	-135	0	0	111.5	V455 A461 M462 H463 R622 I626 K679	V455-E459 PolarHBondContact O-N 3.33Å; E459-A461 VanDerWaalsContact C-N 3.33Å; E459-A461 PolarHBondContact O-N 2.96Å; E459-M462 PolarHBondContact O-N 3.46Å; E459-H463 WeakPolarHBondContact CG-CE1 3.4Å; E459-H463 PolarHBondContact O-N 3.38Å; E459-H463 IonicContact OE1-CE1 2.62Å; E459-H463 PolarHBondContact OE1-CE1 2.92Å; E459-H463 IonicContact OE1-NE2 2.65Å; E459-R622 IonicContact OE2-CZ 3.05Å; E459-R622 IonicContact OE2-NE 2.7Å; E459-R622 PolarHBondContact OE2-NE 3.07Å; E459-R622 IonicContact OE2-NH2 2.98Å; E459-R622 PolarHBondContact OE2-NH2 3.16Å; E459-I626 HydrophobicContact CB-CG1 4.23Å; E459-K679 IonicContact OE1-NZ 3.18Å; E459-K679 PolarHBondContact OE1-NZ 3.2Å
460	A	97.8	Very high	97.4	Very high	56 Å²	56	48.5 Å²	48.5	46%	0.463	26%	0.256	S	S	.	.	H	α-helix	trans	-62.7	-38.6	176	0	0	0	0	0	112.1	L456 E457 H463 Q464	L456-A460 VanDerWaalsContact O-CB 3.28Å; L456-A460 WeakPolarHBondContact O-CB 3.45Å; L456-A460 PolarHBondContact O-N 3.01Å; E457-A460 PolarHBondContact O-N 3.44Å; A460-H463 PolarHBondContact O-N 2.86Å; A460-Q464 WeakPolarHBondContact O-CB 2.97Å; A460-Q464 PolarHBondContact O-N 3.2Å
461	A	98.3	Very high	97.4	Very high	42 Å²	42	45 Å²	45	35%	0.347	25%	0.25	S	C	.	.	H	α-helix	trans	-62.2	-44.1	173.7	0	0	0	0	0	111.8	E457 L458 E459 Q464 L465 I568	E457-A461 WeakPolarHBondContact O-CB 3.47Å; E457-A461 PolarHBondContact O-N 2.99Å; L458-A461 PolarHBondContact O-N 3.22Å; E459-A461 VanDerWaalsContact C-N 3.33Å; E459-A461 PolarHBondContact O-N 2.96Å; A461-Q464 PolarHBondContact O-N 3.09Å; A461-L465 WeakPolarHBondContact O-CB 3.37Å; A461-L465 PolarHBondContact O-N 3.38Å; A461-I568 HydrophobicContact CB-CD1 3.99Å; A461-I568 HydrophobicContact CB-CG1 4.38Å
462	M	98.1	Very high	97.4	Very high	4 Å²	4	48.8 Å²	48.8	2%	0.02	26%	0.264	C	S	.	.	H	α-helix	trans	-65.6	-44.4	176.3	-174.2	58.3	57.9	0	0	112.3	L458 E459 Q464 L465 L466 R565 I568 I626 T627	L458-M462 PolarHBondContact O-N 3.18Å; E459-M462 PolarHBondContact O-N 3.46Å; M462-Q464 VanDerWaalsContact C-N 3.32Å; M462-Q464 PolarHBondContact O-N 3.21Å; M462-L465 PolarHBondContact O-N 3.4Å; M462-L465 HydrophobicContact SD-CD2 4.42Å; M462-L466 HydrophobicContact CG-CD1 4.28Å; M462-L466 WeakPolarHBondContact O-CG 3.38Å; M462-L466 PolarHBondContact O-N 2.91Å; M462-R565 HydrophobicContact CE-CB 4.41Å; M462-R565 HydrophobicContact CE-CG 3.91Å; M462-R565 HydrophobicContact SD-CG 4.24Å; M462-I568 HydrophobicContact CB-CG2 4.41Å; M462-I568 HydrophobicContact CE-CB 3.72Å; M462-I568 HydrophobicContact CE-CD1 3.94Å; M462-I568 HydrophobicContact CE-CG1 4.45Å; M462-I568 HydrophobicContact CE-CG2 3.62Å; M462-I626 HydrophobicContact CB-CG2 3.78Å; M462-I626 HydrophobicContact CE-CG2 4.31Å; M462-I626 HydrophobicContact CG-CG2 4.03Å; M462-I626 WeakPolarHBondContact CG-O 3.32Å; M462-T627 HydrophobicContact CE-CG2 4.01Å
463	H	97.6	Very high	97.2	Very high	22 Å²	22	48.4 Å²	48.4	10%	0.102	26%	0.26	C	S	.	.	H	α-helix	trans	-61.3	-40.3	174.3	-69.5	156.8	0	0	0	111.9	E459 A460 L466 R467 K679 V682	E459-H463 WeakPolarHBondContact CG-CE1 3.4Å; E459-H463 PolarHBondContact O-N 3.38Å; E459-H463 IonicContact OE1-CE1 2.62Å; E459-H463 PolarHBondContact OE1-CE1 2.92Å; E459-H463 IonicContact OE1-NE2 2.65Å; A460-H463 PolarHBondContact O-N 2.86Å; H463-L466 PolarHBondContact O-N 3.48Å; H463-R467 WeakPolarHBondContact O-CB 3.46Å; H463-R467 PolarHBondContact O-N 2.92Å; H463-K679 PolarHBondContact NE2-NZ 3.3Å; H463-V682 HydrophobicContact CB-CG1 4.23Å
464	Q	98	Very high	97.1	Very high	92 Å²	92	46.5 Å²	46.5	43%	0.43	25%	0.247	S	C	.	.	H	α-helix	trans	-66.9	-38.9	176.1	174.5	63.6	-15.6	0	0	112.3	A460 A461 M462 R467 Q468	A460-Q464 WeakPolarHBondContact O-CB 2.97Å; A460-Q464 PolarHBondContact O-N 3.2Å; A461-Q464 PolarHBondContact O-N 3.09Å; M462-Q464 VanDerWaalsContact C-N 3.32Å; M462-Q464 PolarHBondContact O-N 3.21Å; Q464-R467 PolarHBondContact O-N 2.93Å; Q464-Q468 VanDerWaalsContact NE2-NE2 3.18Å; Q464-Q468 WeakPolarHBondContact O-CB 3.32Å; Q464-Q468 VanDerWaalsContact O-CG 3.26Å; Q464-Q468 WeakPolarHBondContact O-CG 3.45Å; Q464-Q468 PolarHBondContact O-N 2.69Å
465	L	98.1	Very high	96.9	Very high	19 Å²	19	49.3 Å²	49.3	10%	0.099	25%	0.254	C	S	.	.	H	α-helix	trans	-63.4	-46.3	174.9	179.8	63.3	0	0	0	111.6	A461 M462 Q468 R469 F561 E564 R565 I568	A461-L465 WeakPolarHBondContact O-CB 3.37Å; A461-L465 PolarHBondContact O-N 3.38Å; M462-L465 PolarHBondContact O-N 3.4Å; M462-L465 HydrophobicContact SD-CD2 4.42Å; L465-Q468 PolarHBondContact O-N 2.7Å; L465-R469 PolarHBondContact O-N 3.14Å; L465-R469 VanDerWaalsContact O-N 3.13Å; L465-F561 HydrophobicContact CD1-CD2 3.9Å; L465-F561 HydrophobicContact CD1-CE2 4.4Å; L465-F561 HydrophobicContact CD2-CD2 4.13Å; L465-F561 HydrophobicContact CD2-CE2 4.08Å; L465-F561 HydrophobicContact CG-CD2 3.73Å; L465-F561 HydrophobicContact CG-CE2 3.72Å; L465-E564 HydrophobicContact CD1-CB 4.01Å; L465-E564 HydrophobicContact CD1-CG 4.14Å; L465-E564 HydrophobicContact CD2-CB 3.96Å; L465-E564 HydrophobicContact CD2-CG 4.16Å; L465-R565 HydrophobicContact CD2-CB 4.04Å; L465-I568 HydrophobicContact CD2-CD1 4.07Å
466	L	97.3	Very high	96.7	Very high	11 Å²	11	51.2 Å²	51.2	6%	0.058	26%	0.262	C	S	.	.	H	α-helix	trans	-62.3	-44.8	174.7	-70.4	167.6	0	0	0	111.8	M462 H463 Q468 R469 A470 F561 L683 V687	M462-L466 HydrophobicContact CG-CD1 4.28Å; M462-L466 WeakPolarHBondContact O-CG 3.38Å; M462-L466 PolarHBondContact O-N 2.91Å; H463-L466 PolarHBondContact O-N 3.48Å; L466-Q468 PolarHBondContact O-N 2.91Å; L466-R469 WeakPolarHBondContact O-CB 3.31Å; L466-R469 PolarHBondContact O-N 2.96Å; L466-A470 PolarHBondContact O-N 3.13Å; L466-F561 HydrophobicContact CD2-CE2 4.08Å; L466-F561 HydrophobicContact CD2-CZ 3.79Å; L466-L683 HydrophobicContact CD1-CD2 4.03Å; L466-V687 HydrophobicContact CB-CG1 4.13Å; L466-V687 HydrophobicContact CB-CG2 3.71Å
467	R	97.6	Very high	96.5	Very high	102 Å²	102	48.9 Å²	48.9	39%	0.385	25%	0.248	S	C	.	.	H	α-helix	trans	-59.4	-42.7	175.5	-179.2	-177.5	-176.3	134.3	3.6	112	H463 Q464 R469 A470 A471 Q686	H463-R467 WeakPolarHBondContact O-CB 3.46Å; H463-R467 PolarHBondContact O-N 2.92Å; Q464-R467 PolarHBondContact O-N 2.93Å; R467-R469 VanDerWaalsContact C-N 3.35Å; R467-A470 PolarHBondContact O-N 2.98Å; R467-A471 WeakPolarHBondContact O-CB 3.33Å; R467-A471 PolarHBondContact O-N 3.19Å; R467-Q686 HydrophobicContact CB-CB 4.44Å; R467-Q686 HydrophobicContact CG-CB 4.22Å
468	Q	97.5	Very high	96.3	Very high	94 Å²	94	44.8 Å²	44.8	44%	0.439	23%	0.229	S	C	.	.	H	α-helix	trans	-64.4	-38.5	177.3	-76.7	177	24.9	0	0	112.3	Q464 L465 L466 R472	Q464-Q468 VanDerWaalsContact NE2-NE2 3.18Å; Q464-Q468 WeakPolarHBondContact O-CB 3.32Å; Q464-Q468 VanDerWaalsContact O-CG 3.26Å; Q464-Q468 WeakPolarHBondContact O-CG 3.45Å; Q464-Q468 PolarHBondContact O-N 2.69Å; L465-Q468 PolarHBondContact O-N 2.7Å; L466-Q468 PolarHBondContact O-N 2.91Å; Q468-R472 VanDerWaalsContact O-CB 3.3Å; Q468-R472 WeakPolarHBondContact O-CB 3.39Å; Q468-R472 PolarHBondContact O-N 3.09Å
469	R	96.3	Very high	96	Very high	45 Å²	45	45.5 Å²	45.5	17%	0.17	23%	0.233	C	C	.	.	H	α-helix	trans	-64.7	-49.7	174.9	-174.6	172.7	174.3	-144.6	-1.5	111.6	L465 L466 R467 R472 L473 E553 F561 E632	L465-R469 PolarHBondContact O-N 3.14Å; L465-R469 VanDerWaalsContact O-N 3.13Å; L466-R469 WeakPolarHBondContact O-CB 3.31Å; L466-R469 PolarHBondContact O-N 2.96Å; R467-R469 VanDerWaalsContact C-N 3.35Å; R469-R472 WeakPolarHBondContact O-CB 3.44Å; R469-R472 PolarHBondContact O-N 3.33Å; R469-L473 PolarHBondContact O-N 3.11Å; R469-E553 VanDerWaalsContact CG-OE2 3.32Å; R469-E553 WeakPolarHBondContact CG-OE2 3.36Å; R469-E553 IonicContact CZ-OE1 2.71Å; R469-E553 VanDerWaalsContact CZ-OE1 3.22Å; R469-E553 VanDerWaalsContact NE-CD 3.3Å; R469-E553 IonicContact NE-OE1 3.87Å; R469-E553 PolarHBondContact NE-OE1 3.45Å; R469-E553 IonicContact NE-OE2 2.75Å; R469-E553 PolarHBondContact NE-OE2 3.48Å; R469-E553 IonicContact NH2-OE1 3.9Å; R469-E553 PolarHBondContact NH2-OE1 3.16Å; R469-F561 HydrophobicContact CB-CD2 4.24Å; R469-F561 HydrophobicContact CB-CE2 4.29Å; R469-F561 VanDerWaalsContact CD-CD2 3.5Å; R469-F561 HydrophobicContact CG-CD2 4.42Å; R469-F561 VanDerWaalsContact NH1-CE1 3.3Å; R469-E632 IonicContact CZ-OE2 3.42Å; R469-E632 IonicContact NH1-OE1 2.7Å; R469-E632 PolarHBondContact NH1-OE1 3.31Å; R469-E632 VanDerWaalsContact NH1-OE1 3.13Å; R469-E632 IonicContact NH1-OE2 2.76Å; R469-E632 PolarHBondContact NH1-OE2 3.19Å; R469-E632 IonicContact NH2-OE2 3.74Å; R469-E632 PolarHBondContact NH2-OE2 2.6Å
470	A	96.3	Very high	95.7	Very high	16 Å²	16	45.8 Å²	45.8	13%	0.132	23%	0.234	C	C	.	.	H	α-helix	trans	-60.8	-47.4	176.9	0	0	0	0	0	112.4	L466 R467 R472 L473 V474 V687	L466-A470 PolarHBondContact O-N 3.13Å; R467-A470 PolarHBondContact O-N 2.98Å; A470-R472 VanDerWaalsContact C-N 3.3Å; A470-R472 PolarHBondContact O-N 3.15Å; A470-L473 PolarHBondContact O-N 2.68Å; A470-V474 WeakPolarHBondContact O-CG2 3.3Å; A470-V474 PolarHBondContact O-N 3.05Å; A470-V687 HydrophobicContact CB-CG1 4.4Å; A470-V687 WeakPolarHBondContact CB-O 3.3Å
471	A	96	Very high	95.4	Very high	56 Å²	56	44 Å²	44	46%	0.463	22%	0.217	S	C	.	.	H	α-helix	trans	-61.5	-35.9	177.8	0	0	0	0	0	112.7	R467 V474 Q475	R467-A471 WeakPolarHBondContact O-CB 3.33Å; R467-A471 PolarHBondContact O-N 3.19Å; A471-V474 PolarHBondContact O-N 3.17Å; A471-Q475 VanDerWaalsContact O-CB 3.22Å; A471-Q475 WeakPolarHBondContact O-CB 3.46Å; A471-Q475 PolarHBondContact O-N 3.09Å
472	R	95.6	Very high	95.1	Very high	97 Å²	97	48.1 Å²	48.1	37%	0.366	23%	0.227	S	C	.	.	H	α-helix	trans	-63.8	-42.6	175.5	-168.3	-172.2	-50.6	170.6	6.8	112	Q468 R469 A470 R476 D557	Q468-R472 VanDerWaalsContact O-CB 3.3Å; Q468-R472 WeakPolarHBondContact O-CB 3.39Å; Q468-R472 PolarHBondContact O-N 3.09Å; R469-R472 WeakPolarHBondContact O-CB 3.44Å; R469-R472 PolarHBondContact O-N 3.33Å; A470-R472 VanDerWaalsContact C-N 3.3Å; A470-R472 PolarHBondContact O-N 3.15Å; R472-R476 WeakPolarHBondContact O-CB 3.45Å; R472-R476 PolarHBondContact O-N 2.98Å; R472-D557 WeakPolarHBondContact CD-OD2 3.46Å; R472-D557 IonicContact CZ-OD2 2.77Å; R472-D557 IonicContact NE-OD2 3.19Å; R472-D557 IonicContact NH1-OD2 3.91Å; R472-D557 PolarHBondContact NH1-OD2 2.9Å
473	L	94.1	Very high	94.7	Very high	23 Å²	23	48.3 Å²	48.3	12%	0.12	23%	0.228	C	C	.	.	H	α-helix	trans	-66.1	-44.1	177	-69.7	172	0	0	0	111.8	R469 A470 R476 R477 E553	R469-L473 PolarHBondContact O-N 3.11Å; A470-L473 PolarHBondContact O-N 2.68Å; L473-R476 PolarHBondContact O-N 3.03Å; L473-R477 PolarHBondContact O-N 3.24Å; L473-E553 HydrophobicContact CD2-CG 3.97Å
474	V	94.8	Very high	94.2	Very high	22 Å²	22	47.6 Å²	47.6	13%	0.133	23%	0.225	C	C	.	.	H	α-helix	trans	-63.1	-50.1	175.7	173.6	0	0	0	0	111.1	A470 A471 R476 R477 Q478 D739	A470-V474 WeakPolarHBondContact O-CG2 3.3Å; A470-V474 PolarHBondContact O-N 3.05Å; A471-V474 PolarHBondContact O-N 3.17Å; V474-R476 VanDerWaalsContact C-N 3.33Å; V474-R476 PolarHBondContact O-N 3.38Å; V474-R477 WeakPolarHBondContact O-CB 3.49Å; V474-R477 PolarHBondContact O-N 3.3Å; V474-R477 VanDerWaalsContact O-N 3.07Å; V474-Q478 WeakPolarHBondContact O-CG 3.36Å; V474-Q478 PolarHBondContact O-N 2.9Å; V474-D739 VanDerWaalsContact CG1-OD1 3.31Å; V474-D739 WeakPolarHBondContact CG1-OD1 3.41Å
475	Q	94.1	Very high	93.8	Very high	95 Å²	95	44.4 Å²	44.4	44%	0.444	21%	0.212	S	C	.	.	H	α-helix	trans	-58	-43.7	177.8	-178.2	61.2	56	0	0	111.7	A471 R477 Q478 D479	A471-Q475 VanDerWaalsContact O-CB 3.22Å; A471-Q475 WeakPolarHBondContact O-CB 3.46Å; A471-Q475 PolarHBondContact O-N 3.09Å; Q475-R477 VanDerWaalsContact C-N 3.32Å; Q475-R477 PolarHBondContact O-N 3.45Å; Q475-Q478 PolarHBondContact O-N 3.3Å; Q475-D479 PolarHBondContact NE2-OD2 2.62Å; Q475-D479 PolarHBondContact O-N 3Å
476	R	93.5	Very high	93.1	Very high	42 Å²	42	45.9 Å²	45.9	16%	0.158	22%	0.224	C	C	.	.	H	α-helix	trans	-59.8	-41.8	175.4	-173.8	-173.6	74.1	-163	-0.4	111.9	R472 L473 V474 D479 D480 D550 E552	R472-R476 WeakPolarHBondContact O-CB 3.45Å; R472-R476 PolarHBondContact O-N 2.98Å; L473-R476 PolarHBondContact O-N 3.03Å; V474-R476 VanDerWaalsContact C-N 3.33Å; V474-R476 PolarHBondContact O-N 3.38Å; R476-D479 PolarHBondContact O-N 2.65Å; R476-D480 WeakPolarHBondContact O-CB 3.38Å; R476-D480 PolarHBondContact O-N 2.68Å; R476-D550 IonicContact CZ-OD2 3.25Å; R476-D550 IonicContact NE-OD2 3.39Å; R476-D550 PolarHBondContact NH2-O 2.98Å; R476-D550 IonicContact NH2-OD2 2.83Å; R476-D550 PolarHBondContact NH2-OD2 3.42Å; R476-E552 VanDerWaalsContact CZ-O 3.25Å; R476-E552 PolarHBondContact NH1-O 2.7Å; R476-E552 PolarHBondContact NH2-O 2.7Å
477	R	92.8	Very high	92.4	Very high	20 Å²	20	48.1 Å²	48.1	8%	0.075	24%	0.235	C	C	.	.	H	α-helix	trans	-63.7	-44.6	176.7	-174.2	-173.3	-65	136.5	-2	111.4	L473 V474 Q475 D480 I481 S549 D689	L473-R477 PolarHBondContact O-N 3.24Å; V474-R477 WeakPolarHBondContact O-CB 3.49Å; V474-R477 PolarHBondContact O-N 3.3Å; V474-R477 VanDerWaalsContact O-N 3.07Å; Q475-R477 VanDerWaalsContact C-N 3.32Å; Q475-R477 PolarHBondContact O-N 3.45Å; R477-D480 PolarHBondContact O-N 2.96Å; R477-I481 HydrophobicContact CG-CD1 4.09Å; R477-I481 VanDerWaalsContact O-CG1 3.28Å; R477-I481 WeakPolarHBondContact O-CG1 3.5Å; R477-I481 PolarHBondContact O-N 3.45Å; R477-S549 PolarHBondContact NH2-O 3.19Å; R477-D689 IonicContact CZ-OD2 2.67Å; R477-D689 VanDerWaalsContact NH1-CG 3.34Å; R477-D689 IonicContact NH1-OD1 2.71Å; R477-D689 PolarHBondContact NH1-OD1 2.87Å; R477-D689 IonicContact NH1-OD2 3.64Å; R477-D689 PolarHBondContact NH1-OD2 3.25Å; R477-D689 IonicContact NH2-OD2 3.54Å; R477-D689 PolarHBondContact NH2-OD2 3.49Å
478	Q	93.3	Very high	91.4	Very high	58 Å²	58	45 Å²	45	27%	0.271	22%	0.224	S	C	.	.	H	α-helix	trans	-62.2	-45.3	176.3	-68.2	179.8	4.8	0	0	111.6	V474 Q475 I481 K482 D739	V474-Q478 WeakPolarHBondContact O-CG 3.36Å; V474-Q478 PolarHBondContact O-N 2.9Å; Q475-Q478 PolarHBondContact O-N 3.3Å; Q478-I481 PolarHBondContact O-N 2.94Å; Q478-K482 WeakPolarHBondContact O-CB 3.41Å; Q478-K482 PolarHBondContact O-N 3.25Å; Q478-D739 PolarHBondContact NE2-OD1 3.13Å
479	D	91.9	Very high	90.1	Very high	35 Å²	35	43.6 Å²	43.6	19%	0.187	23%	0.228	C	C	.	.	H	α-helix	trans	-67	-36	176.5	-76.6	-42.2	0	0	0	112.6	Q475 R476 K482 D483	Q475-D479 PolarHBondContact NE2-OD2 2.62Å; Q475-D479 PolarHBondContact O-N 3Å; R476-D479 PolarHBondContact O-N 2.65Å; D479-K482 PolarHBondContact O-N 3.07Å; D479-K482 IonicContact OD1-NZ 3.75Å; D479-D483 VanDerWaalsContact O-CB 3.3Å; D479-D483 WeakPolarHBondContact O-CB 3.44Å; D479-D483 VanDerWaalsContact O-CG 3.3Å; D479-D483 PolarHBondContact O-N 2.98Å
480	D	91.5	Very high	88.2	Confident	10 Å²	10	44 Å²	44	5%	0.053	24%	0.237	C	C	.	.	H	α-helix	trans	-62.4	-44	172.7	-85.8	-24.2	0	0	0	111.9	R476 R477 E484 R523 R526	R476-D480 WeakPolarHBondContact O-CB 3.38Å; R476-D480 PolarHBondContact O-N 2.68Å; R477-D480 PolarHBondContact O-N 2.96Å; D480-E484 WeakPolarHBondContact O-CB 3.38Å; D480-E484 PolarHBondContact O-N 3.07Å; D480-R523 HydrophobicContact CB-CG 4.49Å; D480-R523 VanDerWaalsContact CG-NE 3.28Å; D480-R523 IonicContact OD1-CZ 4Å; D480-R523 IonicContact OD1-NE 2.88Å; D480-R523 PolarHBondContact OD1-NE 3.5Å; D480-R523 IonicContact OD1-NH2 3.23Å; D480-R523 PolarHBondContact OD1-NH2 3.01Å; D480-R523 VanDerWaalsContact OD1-NH2 3.13Å; D480-R526 IonicContact OD1-NH2 3.67Å; D480-R526 IonicContact OD2-CZ 2.98Å; D480-R526 IonicContact OD2-NH1 2.83Å; D480-R526 PolarHBondContact OD2-NH1 3.03Å; D480-R526 IonicContact OD2-NH2 3.62Å; D480-R526 PolarHBondContact OD2-NH2 2.87Å
481	I	91.8	Very high	86.1	Confident	19 Å²	19	49.2 Å²	49.2	10%	0.097	26%	0.263	C	S	.	.	H	α-helix	trans	-65.2	-40	175.9	-71.3	170.6	0	0	0	111.2	R477 Q478 S485 F741 F760	R477-I481 HydrophobicContact CG-CD1 4.09Å; R477-I481 VanDerWaalsContact O-CG1 3.28Å; R477-I481 WeakPolarHBondContact O-CG1 3.5Å; R477-I481 PolarHBondContact O-N 3.45Å; Q478-I481 PolarHBondContact O-N 2.94Å; I481-S485 WeakPolarHBondContact O-CB 3.12Å; I481-S485 PolarHBondContact O-N 3.48Å; I481-S485 PolarHBondContact O-OG 2.97Å; I481-F741 HydrophobicContact CG2-CB 3.73Å; I481-F741 HydrophobicContact CG2-CD1 3.73Å; I481-F741 HydrophobicContact CG2-CG 3.94Å; I481-F760 HydrophobicContact CG2-CZ 4.41Å
482	K	91.1	Very high	83.7	Confident	129 Å²	129	51.1 Å²	51.1	56%	0.561	27%	0.272	S	S	*	.	H	α-helix	trans	-71.1	-42	179.9	179.9	-179.5	173.6	-172.2	0	112.7	Q478 D479 S485 S486	Q478-K482 WeakPolarHBondContact O-CB 3.41Å; Q478-K482 PolarHBondContact O-N 3.25Å; D479-K482 PolarHBondContact O-N 3.07Å; D479-K482 IonicContact OD1-NZ 3.75Å; K482-S485 WeakPolarHBondContact CA-OG 3.24Å; K482-S485 PolarHBondContact O-OG 2.94Å; K482-S486 VanDerWaalsContact O-CB 3.3Å; K482-S486 WeakPolarHBondContact O-CB 3.34Å; K482-S486 PolarHBondContact O-N 3.47Å; K482-S486 PolarHBondContact O-OG 3.38Å
483	D	89.4	Confident	81.3	Confident	7 Å²	7	52.5 Å²	52.5	4%	0.037	29%	0.287	C	S	.	.	H	α-helix	trans	-64.7	-44.9	173.3	-77.3	-21.4	0	0	0	110.7	D479 S486 E487 R516 R519 R523	D479-D483 VanDerWaalsContact O-CB 3.3Å; D479-D483 WeakPolarHBondContact O-CB 3.44Å; D479-D483 VanDerWaalsContact O-CG 3.3Å; D479-D483 PolarHBondContact O-N 2.98Å; D483-S486 WeakPolarHBondContact CA-OG 3.28Å; D483-S486 PolarHBondContact O-OG 2.9Å; D483-E487 PolarHBondContact O-N 3.49Å; D483-E487 VanDerWaalsContact O-N 3.16Å; D483-R516 PolarHBondContact O-NH2 3.1Å; D483-R516 WeakPolarHBondContact OD1-CG 3.35Å; D483-R516 IonicContact OD1-NE 2.7Å; D483-R519 VanDerWaalsContact CG-NH2 3.29Å; D483-R519 IonicContact OD1-CZ 3.98Å; D483-R519 IonicContact OD1-NH2 3.75Å; D483-R519 PolarHBondContact OD1-NH2 3.19Å; D483-R519 IonicContact OD2-CZ 3.64Å; D483-R519 VanDerWaalsContact OD2-CZ 3.24Å; D483-R519 IonicContact OD2-NE 3.7Å; D483-R519 PolarHBondContact OD2-NE 3.3Å; D483-R519 IonicContact OD2-NH2 3.18Å; D483-R519 PolarHBondContact OD2-NH2 3.29Å; D483-R523 VanDerWaalsContact CB-NH2 3.27Å; D483-R523 IonicContact OD2-NH2 3.38Å; D483-R523 PolarHBondContact OD2-NH2 3.36Å
484	E	87.9	Confident	78.9	Confident	8 Å²	8	60.1 Å²	60.1	4%	0.037	32%	0.319	C	S	.	.	H	α-helix	trans	-71.1	-36.9	-178.7	-167.7	164.4	-137.6	0	0	112.8	D480 E487 F488 R527 F760 R763	D480-E484 WeakPolarHBondContact O-CB 3.38Å; D480-E484 PolarHBondContact O-N 3.07Å; E484-E487 VanDerWaalsContact O-CB 3.31Å; E484-E487 WeakPolarHBondContact O-CB 3.49Å; E484-F488 HydrophobicContact CG-CE2 3.88Å; E484-F488 WeakPolarHBondContact O-CD2 3.32Å; E484-F488 WeakPolarHBondContact O-CE2 3.49Å; E484-R527 IonicContact OE1-CZ 2.73Å; E484-R527 IonicContact OE1-NH1 3.82Å; E484-R527 PolarHBondContact OE1-NH1 3.02Å; E484-R527 IonicContact OE1-NH2 2.91Å; E484-R527 PolarHBondContact OE1-NH2 3.05Å; E484-R527 IonicContact OE2-CZ 3.69Å; E484-R527 IonicContact OE2-NH1 2.69Å; E484-R527 IonicContact OE2-NH2 3.91Å; E484-R527 PolarHBondContact OE2-NH2 2.9Å; E484-F760 HydrophobicContact CB-CD2 4.1Å; E484-F760 HydrophobicContact CB-CE2 3.89Å; E484-F760 HydrophobicContact CB-CZ 4.34Å; E484-F760 HydrophobicContact CG-CB 4.16Å; E484-F760 HydrophobicContact CG-CD1 4.42Å; E484-F760 HydrophobicContact CG-CD2 3.46Å; E484-F760 VanDerWaalsContact CG-CD2 3.46Å; E484-F760 HydrophobicContact CG-CE2 3.79Å; E484-F760 HydrophobicContact CG-CG 3.78Å; E484-F760 HydrophobicContact CG-CZ 4.43Å; E484-F760 WeakPolarHBondContact OE2-CD2 3.38Å; E484-F760 WeakPolarHBondContact OE2-CE2 3.38Å; E484-R763 IonicContact OE1-CZ 3.13Å; E484-R763 IonicContact OE1-NE 3.24Å; E484-R763 PolarHBondContact OE1-NE 3.22Å; E484-R763 IonicContact OE1-NH2 3.22Å; E484-R763 PolarHBondContact OE1-NH2 3.46Å; E484-R763 IonicContact OE2-NE 2.91Å
485	S	88.3	Confident	76.5	Confident	24 Å²	24	62.1 Å²	62.1	17%	0.168	34%	0.338	C	S	.	.	H	α-helix	trans	-70.7	-39.6	174.4	55.1	0	0	0	0	113.3	I481 K482 E487 F488 A489	I481-S485 WeakPolarHBondContact O-CB 3.12Å; I481-S485 PolarHBondContact O-N 3.48Å; I481-S485 PolarHBondContact O-OG 2.97Å; K482-S485 WeakPolarHBondContact CA-OG 3.24Å; K482-S485 PolarHBondContact O-OG 2.94Å; S485-E487 VanDerWaalsContact C-N 3.27Å; S485-E487 PolarHBondContact O-N 3.49Å; S485-F488 PolarHBondContact O-N 3.24Å; S485-A489 WeakPolarHBondContact O-CB 3.4Å; S485-A489 PolarHBondContact O-N 3.35Å
486	S	84.8	Confident	74.3	Confident	50 Å²	50	64.5 Å²	64.5	35%	0.35	36%	0.359	S	S	.	.	H	α-helix	trans	-64.4	-33	175.3	53.5	0	0	0	0	112.3	K482 D483 F488 A489 S490	K482-S486 VanDerWaalsContact O-CB 3.3Å; K482-S486 WeakPolarHBondContact O-CB 3.34Å; K482-S486 PolarHBondContact O-N 3.47Å; K482-S486 PolarHBondContact O-OG 3.38Å; D483-S486 WeakPolarHBondContact CA-OG 3.28Å; D483-S486 PolarHBondContact O-OG 2.9Å; S486-F488 PolarHBondContact O-N 3.05Å; S486-A489 PolarHBondContact O-N 2.92Å; S486-S490 WeakPolarHBondContact O-CB 3.33Å; S486-S490 PolarHBondContact O-N 3.24Å
487	E	82	Confident	72.4	Confident	59 Å²	59	70.2 Å²	70.2	28%	0.276	39%	0.389	S	S	.	.	H	α-helix	trans	-54.3	-50.6	173.1	-129.5	148.1	-103.9	0	0	111.5	D483 E484 S485 S490 R516 I520	D483-E487 PolarHBondContact O-N 3.49Å; D483-E487 VanDerWaalsContact O-N 3.16Å; E484-E487 VanDerWaalsContact O-CB 3.31Å; E484-E487 WeakPolarHBondContact O-CB 3.49Å; S485-E487 VanDerWaalsContact C-N 3.27Å; S485-E487 PolarHBondContact O-N 3.49Å; E487-S490 PolarHBondContact O-OG 3.48Å; E487-R516 IonicContact OE1-CZ 2.7Å; E487-R516 IonicContact OE1-NH1 3.95Å; E487-R516 IonicContact OE1-NH2 2.74Å; E487-R516 PolarHBondContact OE1-NH2 3.22Å; E487-I520 WeakPolarHBondContact OE1-CD1 3.33Å
488	F	76.8	Confident	70.5	Confident	37 Å²	37	73.2 Å²	73.2	16%	0.162	42%	0.419	C	S	.	.	H	α-helix	trans	-84.1	-25.4	-178.4	-55.6	-55.9	0	0	0	113.8	E484 S485 S486 S490 L491 Y745 G756 A757 F760	E484-F488 HydrophobicContact CG-CE2 3.88Å; E484-F488 WeakPolarHBondContact O-CD2 3.32Å; E484-F488 WeakPolarHBondContact O-CE2 3.49Å; S485-F488 PolarHBondContact O-N 3.24Å; S486-F488 PolarHBondContact O-N 3.05Å; F488-S490 VanDerWaalsContact C-N 3.31Å; F488-L491 HydrophobicContact CD1-CD1 4.24Å; F488-L491 WeakPolarHBondContact O-CB 3.48Å; F488-L491 PolarHBondContact O-N 3.03Å; F488-Y745 HydrophobicContact CB-CE1 4.26Å; F488-G756 VanDerWaalsContact CZ-CA 3.48Å; F488-A757 HydrophobicContact CB-CB 4.08Å; F488-A757 HydrophobicContact CD1-CB 3.92Å; F488-A757 HydrophobicContact CD2-CB 4.3Å; F488-A757 HydrophobicContact CG-CB 3.8Å; F488-F760 HydrophobicContact CD2-CB 4.19Å; F488-F760 AromaticContact CD2-CD1 3.95Å; F488-F760 HydrophobicContact CD2-CD1 3.95Å; F488-F760 HydrophobicContact CD2-CG 4.35Å; F488-F760 HydrophobicContact CE2-CB 3.86Å; F488-F760 HydrophobicContact CE2-CD1 4.36Å; F488-F760 HydrophobicContact CE2-CG 4.31Å
489	A	69.8	Low	68.8	Low	64 Å²	64	74.9 Å²	74.9	53%	0.529	43%	0.434	S	S	.	.	H	α-helix	trans	-65.4	-34.2	169.1	0	0	0	0	0	112	S485 S486 L491 S492	S485-A489 WeakPolarHBondContact O-CB 3.4Å; S485-A489 PolarHBondContact O-N 3.35Å; S486-A489 PolarHBondContact O-N 2.92Å; A489-L491 PolarHBondContact O-N 2.83Å; A489-L491 VanDerWaalsContact O-N 3.15Å; A489-S492 WeakPolarHBondContact O-CB 3.21Å; A489-S492 PolarHBondContact O-N 3.49Å
490	S	56.3	Low	67.3	Low	52 Å²	52	76.4 Å²	76.4	36%	0.364	45%	0.448	S	S	.	.	G	3₁₀ helix	trans	-61.9	-21.3	179.1	80.4	0	0	0	0	114.1	S486 E487 F488 S492 N493	S486-S490 WeakPolarHBondContact O-CB 3.33Å; S486-S490 PolarHBondContact O-N 3.24Å; E487-S490 PolarHBondContact O-OG 3.48Å; F488-S490 VanDerWaalsContact C-N 3.31Å; S490-S492 PolarHBondContact O-N 3.27Å; S490-N493 CarbonylContact O-C 3.55Å; S490-N493 PolarHBondContact O-N 3.01Å
491	L	53	Low	66.2	Low	126 Å²	126	81 Å²	81	66%	0.66	47%	0.472	S	S	*	.	G	3₁₀ helix	trans	-62.2	-21.5	173.7	-63.5	173.4	0	0	0	112.6	F488 A489	F488-L491 HydrophobicContact CD1-CD1 4.24Å; F488-L491 WeakPolarHBondContact O-CB 3.48Å; F488-L491 PolarHBondContact O-N 3.03Å; A489-L491 PolarHBondContact O-N 2.83Å; A489-L491 VanDerWaalsContact O-N 3.15Å
492	S	44.5	Very low	65.2	Low	96 Å²	96	82.2 Å²	82.2	67%	0.671	48%	0.478	S	S	*	.	G	3₁₀ helix	trans	-82.7	-23	173.7	-175	0	0	0	0	113.9	A489 S490	A489-S492 WeakPolarHBondContact O-CB 3.21Å; A489-S492 PolarHBondContact O-N 3.49Å; S490-S492 PolarHBondContact O-N 3.27Å
493	N	45.8	Very low	64.3	Low	126 Å²	126	82.1 Å²	82.1	67%	0.674	49%	0.494	S	S	*	.			trans	-153	78.1	-169.5	-87.4	-53.1	0	0	0	112.2	S490 A495	S490-N493 CarbonylContact O-C 3.55Å; S490-N493 PolarHBondContact O-N 3.01Å; N493-A495 PolarHBondContact O-N 3.38Å
494	K	43.5	Very low	63.5	Low	184 Å²	184	89.6 Å²	89.6	80%	0.8	53%	0.526	S	S	*	.			trans	-77.4	63.2	162.8	-78.3	-168.6	172.9	-177	0	111.6
495	A	45	Very low	62.7	Low	63 Å²	63	91.7 Å²	91.7	52%	0.521	55%	0.55	S	S	.	.			trans	-74.3	120.5	163	0	0	0	0	0	108.7	N493 M497	N493-A495 PolarHBondContact O-N 3.38Å; A495-M497 HydrophobicContact CB-CE 4.25Å; A495-M497 PolarHBondContact O-N 2.73Å
496	V	47.4	Very low	62	Low	146 Å²	146	97.6 Å²	97.6	89%	0.885	57%	0.569	S	S	*	*			trans	-73.1	100.6	175.4	179.8	0	0	0	0	108.3
497	M	54	Low	61.4	Low	161 Å²	161	97.8 Å²	97.8	79%	0.793	57%	0.566	S	S	*	*	P	Polyproline II helix	trans	-70.4	135.3	174.1	-65.8	-62.9	173.3	0	0	109.9	A495	A495-M497 HydrophobicContact CB-CE 4.25Å; A495-M497 PolarHBondContact O-N 2.73Å
498	A	52.8	Low	60.8	Low	84 Å²	84	102.1 Å²	102.1	69%	0.694	58%	0.58	S	S	*	*	P	Polyproline II helix	trans	-68.4	151.5	176.8	0	0	0	0	0	111.3	S500	A498-S500 PolarHBondContact O-N 2.7Å
499	P	58.2	Low	60.6	Low	93 Å²	93	102.5 Å²	102.5	60%	0.604	59%	0.59	S	S	*	*	P	Polyproline II helix	trans	-55.3	122.9	-179.4	-27.4	35.9	0	0	0	112.8	L501	P499-L501 HydrophobicContact CB-CD2 4.13Å; P499-L501 HydrophobicContact CB-CG 4.43Å; P499-L501 PolarHBondContact O-N 2.79Å; P499-L501 VanDerWaalsContact O-N 3.11Å
500	S	60.5	Low	60.8	Low	66 Å²	66	101.3 Å²	101.3	46%	0.462	58%	0.58	S	S	.	*			trans	-87.8	77.8	-179.6	-172.1	0	0	0	0	109.2	A498 R508	A498-S500 PolarHBondContact O-N 2.7Å; S500-R508 VanDerWaalsContact O-CB 3.25Å; S500-R508 WeakPolarHBondContact O-CB 3.23Å; S500-R508 PolarHBondContact O-N 2.89Å
501	L	66.8	Low	61.6	Low	108 Å²	108	107.5 Å²	107.5	57%	0.565	60%	0.596	S	S	*	*	B	Isolated β-bridge	trans	-71.7	134.1	180	-55	-175.7	0	0	0	110.8	P499 R506 D507	P499-L501 HydrophobicContact CB-CD2 4.13Å; P499-L501 HydrophobicContact CB-CG 4.43Å; P499-L501 PolarHBondContact O-N 2.79Å; P499-L501 VanDerWaalsContact O-N 3.11Å; L501-R506 WeakPolarHBondContact CA-O 3.11Å; L501-D507 HydrophobicContact CD2-CB 3.98Å
502	D	71.1	Confident	62.7	Low	44 Å²	44	106.5 Å²	106.5	24%	0.235	59%	0.588	C	S	.	*			trans	-77.9	175.8	168.3	79.2	-3.2	0	0	0	112	F504 G505 R506	D502-F504 PolarHBondContact O-N 3.43Å; D502-F504 VanDerWaalsContact OD1-C 3.31Å; D502-F504 WeakPolarHBondContact OD1-CA 3.22Å; D502-F504 WeakPolarHBondContact OD1-CB 3.25Å; D502-F504 PolarHBondContact OD1-N 2.79Å; D502-G505 PolarHBondContact O-N 3.24Å; D502-G505 PolarHBondContact OD1-N 3.46Å; D502-R506 PolarHBondContact N-O 3.34Å; D502-R506 WeakPolarHBondContact OD1-CB 3.44Å; D502-R506 PolarHBondContact OD1-N 3.46Å; D502-R506 IonicContact OD1-NE 2.75Å; D502-R506 IonicContact OD2-CZ 3.53Å; D502-R506 VanDerWaalsContact OD2-CZ 3.23Å; D502-R506 IonicContact OD2-NE 3.6Å; D502-R506 PolarHBondContact OD2-NE 3.33Å; D502-R506 IonicContact OD2-NH2 2.7Å; D502-R506 PolarHBondContact OD2-NH2 2.87Å
503	S	72.1	Confident	64.3	Low	126 Å²	126	105.3 Å²	105.3	88%	0.881	57%	0.572	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.2	-4.4	178.3	-53.7	0	0	0	0	114.9
504	F	73.1	Confident	66	Low	164 Å²	164	103.8 Å²	103.8	72%	0.719	56%	0.564	S	S	*	*	T	Hydrogen-bonded Turn	trans	-111.7	12.4	174.6	-61.3	-86.5	0	0	0	112.1	D502 R506	D502-F504 PolarHBondContact O-N 3.43Å; D502-F504 VanDerWaalsContact OD1-C 3.31Å; D502-F504 WeakPolarHBondContact OD1-CA 3.22Å; D502-F504 WeakPolarHBondContact OD1-CB 3.25Å; D502-F504 PolarHBondContact OD1-N 2.79Å; F504-R506 VanDerWaalsContact C-N 3.28Å; F504-R506 HydrophobicContact CB-CG 4.48Å; F504-R506 PolarHBondContact O-N 2.82Å
505	G	70.8	Confident	67.8	Low	52 Å²	52	97.4 Å²	97.4	54%	0.536	54%	0.543	S	S	.	.	S	Bend	trans	74.1	12.6	178.3	0	0	0	0	0	114.7	D502	D502-G505 PolarHBondContact O-N 3.24Å; D502-G505 PolarHBondContact OD1-N 3.46Å
506	R	73.9	Confident	69.6	Low	149 Å²	149	96.1 Å²	96.1	56%	0.562	52%	0.524	S	S	*	.			trans	-89.1	130.1	179.7	-57.4	175	-65.2	-151.4	-2	109.7	L501 D502 F504 R508	L501-R506 WeakPolarHBondContact CA-O 3.11Å; D502-R506 PolarHBondContact N-O 3.34Å; D502-R506 WeakPolarHBondContact OD1-CB 3.44Å; D502-R506 PolarHBondContact OD1-N 3.46Å; D502-R506 IonicContact OD1-NE 2.75Å; D502-R506 IonicContact OD2-CZ 3.53Å; D502-R506 VanDerWaalsContact OD2-CZ 3.23Å; D502-R506 IonicContact OD2-NE 3.6Å; D502-R506 PolarHBondContact OD2-NE 3.33Å; D502-R506 IonicContact OD2-NH2 2.7Å; D502-R506 PolarHBondContact OD2-NH2 2.87Å; F504-R506 VanDerWaalsContact C-N 3.28Å; F504-R506 HydrophobicContact CB-CG 4.48Å; F504-R506 PolarHBondContact O-N 2.82Å; R506-R508 PolarHBondContact O-N 2.92Å
507	D	72	Confident	71.4	Confident	53 Å²	53	94.1 Å²	94.1	28%	0.283	51%	0.505	S	S	.	.	B	Isolated β-bridge	trans	-69.8	104.8	176	-173	-12.5	0	0	0	110.9	L501 A509 A510 Y511	L501-D507 HydrophobicContact CD2-CB 3.98Å; D507-A509 VanDerWaalsContact C-N 3.31Å; D507-A509 WeakPolarHBondContact OD1-CA 3.2Å; D507-A509 VanDerWaalsContact OD1-CB 3.32Å; D507-A509 WeakPolarHBondContact OD1-CB 3.18Å; D507-A509 PolarHBondContact OD1-N 3.47Å; D507-A510 HydrophobicContact CB-CB 3.77Å; D507-A510 PolarHBondContact O-N 3.04Å; D507-A510 PolarHBondContact OD1-N 3.28Å; D507-Y511 PolarHBondContact O-N 3.42Å; D507-Y511 VanDerWaalsContact O-N 3.12Å
508	R	69.6	Low	72.9	Confident	151 Å²	151	95.9 Å²	95.9	57%	0.57	50%	0.503	S	S	*	.	H	α-helix	trans	-69.9	-28.4	179.4	-171.9	173.5	178.2	79.7	-0.7	111.8	S500 R506 Q512	S500-R508 VanDerWaalsContact O-CB 3.25Å; S500-R508 WeakPolarHBondContact O-CB 3.23Å; S500-R508 PolarHBondContact O-N 2.89Å; R506-R508 PolarHBondContact O-N 2.92Å; R508-Q512 VanDerWaalsContact O-CG 3.24Å; R508-Q512 WeakPolarHBondContact O-CG 3.27Å; R508-Q512 PolarHBondContact O-N 3.14Å
509	A	72.4	Confident	74.6	Confident	45 Å²	45	95.2 Å²	95.2	37%	0.372	48%	0.483	S	S	.	.	H	α-helix	trans	-72.1	-43.4	173.3	0	0	0	0	0	110.5	D507 Y511 Q512 E513	D507-A509 VanDerWaalsContact C-N 3.31Å; D507-A509 WeakPolarHBondContact OD1-CA 3.2Å; D507-A509 VanDerWaalsContact OD1-CB 3.32Å; D507-A509 WeakPolarHBondContact OD1-CB 3.18Å; D507-A509 PolarHBondContact OD1-N 3.47Å; A509-Y511 VanDerWaalsContact C-N 3.33Å; A509-Y511 PolarHBondContact O-N 2.99Å; A509-Q512 PolarHBondContact O-N 3.11Å; A509-Q512 VanDerWaalsContact O-N 3.17Å; A509-E513 PolarHBondContact O-N 3.49Å
510	A	73.4	Confident	75.9	Confident	39 Å²	39	92.4 Å²	92.4	32%	0.322	46%	0.462	S	S	.	.	H	α-helix	trans	-60.8	-39.1	175.6	0	0	0	0	0	112.7	D507 N514	D507-A510 HydrophobicContact CB-CB 3.77Å; D507-A510 PolarHBondContact O-N 3.04Å; D507-A510 PolarHBondContact OD1-N 3.28Å; A510-N514 WeakPolarHBondContact O-CB 3.37Å; A510-N514 PolarHBondContact O-N 3.32Å; A510-N514 PolarHBondContact O-ND2 2.76Å
511	Y	74.3	Confident	77.2	Confident	181 Å²	181	92.3 Å²	92.3	71%	0.71	47%	0.465	S	S	*	.	H	α-helix	trans	-65	-42.1	174.1	-175	-90.9	0	0	0	112.3	D507 A509 N514 S515	D507-Y511 PolarHBondContact O-N 3.42Å; D507-Y511 VanDerWaalsContact O-N 3.12Å; A509-Y511 VanDerWaalsContact C-N 3.33Å; A509-Y511 PolarHBondContact O-N 2.99Å; Y511-N514 PolarHBondContact O-N 3.49Å; Y511-S515 PolarHBondContact O-N 3.42Å
512	Q	75.4	Confident	78.2	Confident	105 Å²	105	90.7 Å²	90.7	49%	0.491	46%	0.455	S	S	.	.	H	α-helix	trans	-65.5	-41.6	177.5	-73.4	172.6	13.3	0	0	112.2	R508 A509 S515 R516	R508-Q512 VanDerWaalsContact O-CG 3.24Å; R508-Q512 WeakPolarHBondContact O-CG 3.27Å; R508-Q512 PolarHBondContact O-N 3.14Å; A509-Q512 PolarHBondContact O-N 3.11Å; A509-Q512 VanDerWaalsContact O-N 3.17Å; Q512-S515 WeakPolarHBondContact O-CB 3.44Å; Q512-S515 PolarHBondContact O-N 2.7Å; Q512-R516 WeakPolarHBondContact O-CB 3.46Å; Q512-R516 PolarHBondContact O-N 2.94Å
513	E	77.6	Confident	79.1	Confident	71 Å²	71	88.8 Å²	88.8	33%	0.332	44%	0.444	S	S	.	.	H	α-helix	trans	-68.5	-37.2	177.1	-171.7	57.2	-148.9	0	0	111.9	A509 S515 R516 Q517	A509-E513 PolarHBondContact O-N 3.49Å; E513-S515 VanDerWaalsContact C-N 3.33Å; E513-S515 PolarHBondContact O-N 3.04Å; E513-R516 WeakPolarHBondContact O-CB 3.48Å; E513-R516 PolarHBondContact O-N 3.02Å; E513-R516 IonicContact OE1-NH1 3.66Å; E513-R516 PolarHBondContact OE1-NH1 2.71Å; E513-R516 WeakPolarHBondContact OE2-CD 3.2Å; E513-R516 IonicContact OE2-NH1 3.81Å; E513-Q517 HydrophobicContact CG-CG 4.49Å; E513-Q517 WeakPolarHBondContact O-CB 3.42Å; E513-Q517 WeakPolarHBondContact O-CG 3.32Å; E513-Q517 PolarHBondContact O-N 3.23Å; E513-Q517 PolarHBondContact OE1-NE2 3.13Å
514	N	81.4	Confident	79.9	Confident	95 Å²	95	85.8 Å²	85.8	51%	0.508	42%	0.416	S	S	.	.	H	α-helix	trans	-62.3	-39	171.4	-86.8	-84.5	0	0	0	112.3	A510 Y511 R518	A510-N514 WeakPolarHBondContact O-CB 3.37Å; A510-N514 PolarHBondContact O-N 3.32Å; A510-N514 PolarHBondContact O-ND2 2.76Å; Y511-N514 PolarHBondContact O-N 3.49Å; N514-R518 WeakPolarHBondContact O-CG 3.46Å; N514-R518 PolarHBondContact O-N 2.77Å; N514-R518 VanDerWaalsContact O-N 3.16Å
515	S	81.8	Confident	80.6	Confident	50 Å²	50	80 Å²	80	35%	0.35	40%	0.399	S	S	.	.	H	α-helix	trans	-64.1	-44.4	173.5	178.1	0	0	0	0	111.6	Y511 Q512 E513 R518 R519	Y511-S515 PolarHBondContact O-N 3.42Å; Q512-S515 WeakPolarHBondContact O-CB 3.44Å; Q512-S515 PolarHBondContact O-N 2.7Å; E513-S515 VanDerWaalsContact C-N 3.33Å; E513-S515 PolarHBondContact O-N 3.04Å; S515-R518 PolarHBondContact O-N 2.91Å; S515-R519 PolarHBondContact O-N 2.83Å; S515-R519 PolarHBondContact OG-NH1 3.36Å
516	R	83.5	Confident	81.5	Confident	35 Å²	35	77.8 Å²	77.8	13%	0.132	37%	0.374	C	S	.	.	H	α-helix	trans	-60.5	-46.2	175.8	178.7	169.1	177.3	-67.1	-16.3	112.2	D483 E487 Q512 E513 R518 R519 I520	D483-R516 PolarHBondContact O-NH2 3.1Å; D483-R516 WeakPolarHBondContact OD1-CG 3.35Å; D483-R516 IonicContact OD1-NE 2.7Å; E487-R516 IonicContact OE1-CZ 2.7Å; E487-R516 IonicContact OE1-NH1 3.95Å; E487-R516 IonicContact OE1-NH2 2.74Å; E487-R516 PolarHBondContact OE1-NH2 3.22Å; Q512-R516 WeakPolarHBondContact O-CB 3.46Å; Q512-R516 PolarHBondContact O-N 2.94Å; E513-R516 WeakPolarHBondContact O-CB 3.48Å; E513-R516 PolarHBondContact O-N 3.02Å; E513-R516 IonicContact OE1-NH1 3.66Å; E513-R516 PolarHBondContact OE1-NH1 2.71Å; E513-R516 WeakPolarHBondContact OE2-CD 3.2Å; E513-R516 IonicContact OE2-NH1 3.81Å; R516-R518 VanDerWaalsContact C-N 3.32Å; R516-R518 PolarHBondContact O-N 3.18Å; R516-R519 PolarHBondContact O-N 2.91Å; R516-R519 VanDerWaalsContact O-N 3.13Å; R516-I520 HydrophobicContact CG-CD1 3.83Å; R516-I520 VanDerWaalsContact O-CG1 3.32Å; R516-I520 WeakPolarHBondContact O-CG1 3.4Å; R516-I520 PolarHBondContact O-N 2.9Å
517	Q	84.3	Confident	82.2	Confident	104 Å²	104	72.1 Å²	72.1	49%	0.486	35%	0.353	S	S	.	.	H	α-helix	trans	-66.5	-30.3	178.6	-73.4	173.9	4.9	0	0	113.3	E513 I520 A521	E513-Q517 HydrophobicContact CG-CG 4.49Å; E513-Q517 WeakPolarHBondContact O-CB 3.42Å; E513-Q517 WeakPolarHBondContact O-CG 3.32Å; E513-Q517 PolarHBondContact O-N 3.23Å; E513-Q517 PolarHBondContact OE1-NE2 3.13Å; Q517-I520 HydrophobicContact CG-CD1 4.41Å; Q517-A521 WeakPolarHBondContact O-CB 3.28Å; Q517-A521 PolarHBondContact O-N 3.1Å
518	R	86.5	Confident	82.9	Confident	198 Å²	198	72 Å²	72	75%	0.747	36%	0.355	S	S	*	.	H	α-helix	trans	-63.5	-45.9	168.9	-72	176.1	-175.7	-153.6	0.9	112	N514 S515 R516 A521 E522	N514-R518 WeakPolarHBondContact O-CG 3.46Å; N514-R518 PolarHBondContact O-N 2.77Å; N514-R518 VanDerWaalsContact O-N 3.16Å; S515-R518 PolarHBondContact O-N 2.91Å; R516-R518 VanDerWaalsContact C-N 3.32Å; R516-R518 PolarHBondContact O-N 3.18Å; R518-A521 PolarHBondContact O-N 2.7Å; R518-E522 WeakPolarHBondContact O-CB 3.42Å; R518-E522 PolarHBondContact O-N 3.44Å
519	R	87.4	Confident	83.7	Confident	71 Å²	71	71.2 Å²	71.2	27%	0.268	35%	0.351	S	S	.	.	H	α-helix	trans	-61.2	-43.9	175.3	-66.6	-169.2	-58.2	-89	2.3	112	D483 S515 R516 A521 E522 R523	D483-R519 VanDerWaalsContact CG-NH2 3.29Å; D483-R519 IonicContact OD1-CZ 3.98Å; D483-R519 IonicContact OD1-NH2 3.75Å; D483-R519 PolarHBondContact OD1-NH2 3.19Å; D483-R519 IonicContact OD2-CZ 3.64Å; D483-R519 VanDerWaalsContact OD2-CZ 3.24Å; D483-R519 IonicContact OD2-NE 3.7Å; D483-R519 PolarHBondContact OD2-NE 3.3Å; D483-R519 IonicContact OD2-NH2 3.18Å; D483-R519 PolarHBondContact OD2-NH2 3.29Å; S515-R519 PolarHBondContact O-N 2.83Å; S515-R519 PolarHBondContact OG-NH1 3.36Å; R516-R519 PolarHBondContact O-N 2.91Å; R516-R519 VanDerWaalsContact O-N 3.13Å; R519-A521 PolarHBondContact O-N 2.89Å; R519-E522 PolarHBondContact O-N 3.13Å; R519-R523 VanDerWaalsContact O-CB 3.27Å; R519-R523 WeakPolarHBondContact O-CB 3.44Å; R519-R523 PolarHBondContact O-N 3.23Å
520	I	86.8	Confident	84.4	Confident	33 Å²	33	70.9 Å²	70.9	17%	0.169	34%	0.341	C	S	.	.	H	α-helix	trans	-59	-46.6	177	-65.5	159.4	0	0	0	111.3	E487 R516 Q517 R523 E524	E487-I520 WeakPolarHBondContact OE1-CD1 3.33Å; R516-I520 HydrophobicContact CG-CD1 3.83Å; R516-I520 VanDerWaalsContact O-CG1 3.32Å; R516-I520 WeakPolarHBondContact O-CG1 3.4Å; R516-I520 PolarHBondContact O-N 2.9Å; Q517-I520 HydrophobicContact CG-CD1 4.41Å; I520-R523 PolarHBondContact O-N 3.16Å; I520-E524 PolarHBondContact O-N 3.48Å
521	A	86.8	Confident	84.9	Confident	64 Å²	64	71.7 Å²	71.7	53%	0.529	34%	0.335	S	S	.	.	H	α-helix	trans	-64.5	-41.9	178	0	0	0	0	0	112.3	Q517 R518 R519 A525	Q517-A521 WeakPolarHBondContact O-CB 3.28Å; Q517-A521 PolarHBondContact O-N 3.1Å; R518-A521 PolarHBondContact O-N 2.7Å; R519-A521 PolarHBondContact O-N 2.89Å; A521-A525 WeakPolarHBondContact O-CB 3.37Å; A521-A525 PolarHBondContact O-N 2.78Å
522	E	88.9	Confident	85.5	Confident	75 Å²	75	67.9 Å²	67.9	35%	0.35	32%	0.324	S	S	.	.	H	α-helix	trans	-64.9	-41.9	176.5	-167	-144.4	110.8	0	0	112.1	R518 R519 A525 R526	R518-E522 WeakPolarHBondContact O-CB 3.42Å; R518-E522 PolarHBondContact O-N 3.44Å; R519-E522 PolarHBondContact O-N 3.13Å; E522-A525 WeakPolarHBondContact O-CB 3.22Å; E522-A525 PolarHBondContact O-N 3.37Å; E522-R526 WeakPolarHBondContact O-CB 3.44Å; E522-R526 PolarHBondContact O-N 2.9Å; E522-R526 IonicContact OE1-CZ 2.68Å; E522-R526 IonicContact OE1-NE 3.17Å; E522-R526 PolarHBondContact OE1-NE 2.9Å; E522-R526 IonicContact OE1-NH2 3.59Å; E522-R526 PolarHBondContact OE1-NH2 3.33Å
523	R	89.8	Confident	86	Confident	3 Å²	3	65.1 Å²	65.1	1%	0.011	32%	0.319	C	S	.	.	H	α-helix	trans	-59.9	-49.2	176	-177.7	-158.8	-48.9	142.5	11.1	112.1	D480 D483 R519 I520 A525 R526 R527	D480-R523 HydrophobicContact CB-CG 4.49Å; D480-R523 VanDerWaalsContact CG-NE 3.28Å; D480-R523 IonicContact OD1-CZ 4Å; D480-R523 IonicContact OD1-NE 2.88Å; D480-R523 PolarHBondContact OD1-NE 3.5Å; D480-R523 IonicContact OD1-NH2 3.23Å; D480-R523 PolarHBondContact OD1-NH2 3.01Å; D480-R523 VanDerWaalsContact OD1-NH2 3.13Å; D483-R523 VanDerWaalsContact CB-NH2 3.27Å; D483-R523 IonicContact OD2-NH2 3.38Å; D483-R523 PolarHBondContact OD2-NH2 3.36Å; R519-R523 VanDerWaalsContact O-CB 3.27Å; R519-R523 WeakPolarHBondContact O-CB 3.44Å; R519-R523 PolarHBondContact O-N 3.23Å; I520-R523 PolarHBondContact O-N 3.16Å; R523-A525 VanDerWaalsContact C-N 3.33Å; R523-R526 WeakPolarHBondContact O-CB 3.33Å; R523-R526 PolarHBondContact O-N 3.45Å; R523-R527 VanDerWaalsContact CD-CZ 3.46Å; R523-R527 WeakPolarHBondContact O-CB 3.33Å; R523-R527 VanDerWaalsContact O-CG 3.28Å; R523-R527 WeakPolarHBondContact O-CG 3.38Å; R523-R527 PolarHBondContact O-N 3.44Å
524	E	88.1	Confident	86.3	Confident	63 Å²	63	63.6 Å²	63.6	29%	0.294	31%	0.31	S	S	.	.	H	α-helix	trans	-71.4	-27.3	176.5	-80.1	-55.3	135.7	0	0	112.7	I520 R527 T528 R531	I520-E524 PolarHBondContact O-N 3.48Å; E524-R527 WeakPolarHBondContact OE1-CD 3.48Å; E524-R527 IonicContact OE1-CZ 3.57Å; E524-R527 IonicContact OE1-NE 3.61Å; E524-R527 IonicContact OE1-NH1 2.95Å; E524-R527 PolarHBondContact OE1-NH1 3.23Å; E524-T528 WeakPolarHBondContact O-CB 3.45Å; E524-T528 PolarHBondContact O-N 3.28Å; E524-T528 PolarHBondContact O-OG1 2.81Å; E524-R531 IonicContact OE1-NH2 2.73Å; E524-R531 IonicContact OE2-CZ 3.13Å; E524-R531 IonicContact OE2-NH1 2.87Å; E524-R531 PolarHBondContact OE2-NH1 3.02Å; E524-R531 IonicContact OE2-NH2 3.41Å; E524-R531 PolarHBondContact OE2-NH2 2.93Å
525	A	87.8	Confident	86.5	Confident	43 Å²	43	62.7 Å²	62.7	36%	0.355	30%	0.303	S	S	.	.	H	α-helix	trans	-65.1	-47.6	169	0	0	0	0	0	111.6	A521 E522 R523 T528 R529	A521-A525 WeakPolarHBondContact O-CB 3.37Å; A521-A525 PolarHBondContact O-N 2.78Å; E522-A525 WeakPolarHBondContact O-CB 3.22Å; E522-A525 PolarHBondContact O-N 3.37Å; R523-A525 VanDerWaalsContact C-N 3.33Å; A525-T528 PolarHBondContact O-N 3.22Å; A525-R529 WeakPolarHBondContact O-CG 3.38Å; A525-R529 PolarHBondContact O-N 3.16Å
526	R	89.8	Confident	86.6	Confident	5 Å²	5	68 Å²	68	2%	0.019	32%	0.322	C	S	.	.	H	α-helix	trans	-53.1	-55.9	171.6	-90.4	-167.1	-81.8	119.7	5.5	111.2	D480 E522 R523 T528 R529 R530 D550 E552	D480-R526 IonicContact OD1-NH2 3.67Å; D480-R526 IonicContact OD2-CZ 2.98Å; D480-R526 IonicContact OD2-NH1 2.83Å; D480-R526 PolarHBondContact OD2-NH1 3.03Å; D480-R526 IonicContact OD2-NH2 3.62Å; D480-R526 PolarHBondContact OD2-NH2 2.87Å; E522-R526 WeakPolarHBondContact O-CB 3.44Å; E522-R526 PolarHBondContact O-N 2.9Å; E522-R526 IonicContact OE1-CZ 2.68Å; E522-R526 IonicContact OE1-NE 3.17Å; E522-R526 PolarHBondContact OE1-NE 2.9Å; E522-R526 IonicContact OE1-NH2 3.59Å; E522-R526 PolarHBondContact OE1-NH2 3.33Å; R523-R526 WeakPolarHBondContact O-CB 3.33Å; R523-R526 PolarHBondContact O-N 3.45Å; R526-T528 VanDerWaalsContact C-N 3.32Å; R526-T528 PolarHBondContact O-N 3.21Å; R526-R529 PolarHBondContact O-N 3.25Å; R526-R530 PolarHBondContact O-N 3.4Å; R526-R530 VanDerWaalsContact O-N 3.09Å; R526-D550 IonicContact NH1-OD1 2.93Å; R526-D550 PolarHBondContact NH1-OD1 3.26Å; R526-D550 IonicContact NH1-OD2 2.82Å; R526-D550 PolarHBondContact NH1-OD2 3.21Å; R526-E552 WeakPolarHBondContact CB-OE2 3.3Å; R526-E552 VanDerWaalsContact CG-OE2 3.27Å; R526-E552 WeakPolarHBondContact CG-OE2 3.39Å
527	R	87.6	Confident	86.5	Confident	31 Å²	31	72.1 Å²	72.1	12%	0.117	35%	0.347	C	S	.	.	H	α-helix	trans	-56.9	-41.7	177.1	-70.1	165.9	175.3	-173.7	-2.6	112.4	E484 R523 E524 R530 R531	E484-R527 IonicContact OE1-CZ 2.73Å; E484-R527 IonicContact OE1-NH1 3.82Å; E484-R527 PolarHBondContact OE1-NH1 3.02Å; E484-R527 IonicContact OE1-NH2 2.91Å; E484-R527 PolarHBondContact OE1-NH2 3.05Å; E484-R527 IonicContact OE2-CZ 3.69Å; E484-R527 IonicContact OE2-NH1 2.69Å; E484-R527 IonicContact OE2-NH2 3.91Å; E484-R527 PolarHBondContact OE2-NH2 2.9Å; R523-R527 VanDerWaalsContact CD-CZ 3.46Å; R523-R527 WeakPolarHBondContact O-CB 3.33Å; R523-R527 VanDerWaalsContact O-CG 3.28Å; R523-R527 WeakPolarHBondContact O-CG 3.38Å; R523-R527 PolarHBondContact O-N 3.44Å; E524-R527 WeakPolarHBondContact OE1-CD 3.48Å; E524-R527 IonicContact OE1-CZ 3.57Å; E524-R527 IonicContact OE1-NE 3.61Å; E524-R527 IonicContact OE1-NH1 2.95Å; E524-R527 PolarHBondContact OE1-NH1 3.23Å; R527-R530 CarbonylContact O-C 3.56Å; R527-R530 WeakPolarHBondContact O-CB 3.37Å; R527-R530 PolarHBondContact O-N 2.92Å; R527-R531 WeakPolarHBondContact O-CG 3.4Å; R527-R531 PolarHBondContact O-N 3.38Å
528	T	86.9	Confident	86.1	Confident	51 Å²	51	70.2 Å²	70.2	31%	0.313	36%	0.355	S	S	.	.	H	α-helix	trans	-68.8	-42.3	-179.5	-62.3	0	0	0	0	112.6	E524 A525 R526 R530 R531 Q532	E524-T528 WeakPolarHBondContact O-CB 3.45Å; E524-T528 PolarHBondContact O-N 3.28Å; E524-T528 PolarHBondContact O-OG1 2.81Å; A525-T528 PolarHBondContact O-N 3.22Å; R526-T528 VanDerWaalsContact C-N 3.32Å; R526-T528 PolarHBondContact O-N 3.21Å; T528-R530 VanDerWaalsContact C-N 3.26Å; T528-R530 PolarHBondContact O-N 2.76Å; T528-R531 WeakPolarHBondContact O-CB 3.45Å; T528-R531 PolarHBondContact O-N 3.46Å; T528-R531 VanDerWaalsContact O-N 3.08Å; T528-R531 PolarHBondContact OG1-NH1 3.06Å; T528-Q532 WeakPolarHBondContact O-CG 3.47Å; T528-Q532 PolarHBondContact O-N 2.98Å
529	R	87.8	Confident	85.5	Confident	134 Å²	134	67.8 Å²	67.8	51%	0.506	35%	0.35	S	S	.	.	H	α-helix	trans	-56.3	-43.3	170.6	-70.5	-172	-62.1	-123.2	7.4	110.9	A525 R526 R531 Q532 A533	A525-R529 WeakPolarHBondContact O-CG 3.38Å; A525-R529 PolarHBondContact O-N 3.16Å; R526-R529 PolarHBondContact O-N 3.25Å; R529-R531 VanDerWaalsContact C-N 3.35Å; R529-R531 PolarHBondContact O-N 2.91Å; R529-Q532 PolarHBondContact O-N 3.44Å; R529-A533 PolarHBondContact O-N 2.86Å
530	R	85.8	Confident	84.6	Confident	38 Å²	38	71.3 Å²	71.3	14%	0.143	36%	0.363	C	S	.	.	H	α-helix	trans	-64	-31.1	175	-118.5	173.8	-63.4	163.4	1	114.6	R526 R527 T528 R534 S548 D550 E552	R526-R530 PolarHBondContact O-N 3.4Å; R526-R530 VanDerWaalsContact O-N 3.09Å; R527-R530 CarbonylContact O-C 3.56Å; R527-R530 WeakPolarHBondContact O-CB 3.37Å; R527-R530 PolarHBondContact O-N 2.92Å; T528-R530 VanDerWaalsContact C-N 3.26Å; T528-R530 PolarHBondContact O-N 2.76Å; R530-R534 WeakPolarHBondContact O-CG 3.34Å; R530-R534 PolarHBondContact O-NE 3.43Å; R530-R534 PolarHBondContact O-NH2 3.18Å; R530-S548 WeakPolarHBondContact CD-OG 3.43Å; R530-S548 PolarHBondContact NH1-OG 2.9Å; R530-D550 IonicContact CZ-OD1 2.74Å; R530-D550 VanDerWaalsContact CZ-OD1 3.23Å; R530-D550 IonicContact NH1-OD1 2.72Å; R530-D550 PolarHBondContact NH1-OD1 3.04Å; R530-D550 IonicContact NH2-OD1 2.65Å; R530-D550 PolarHBondContact NH2-OD1 2.87Å; R530-E552 WeakPolarHBondContact CD-OE1 3.32Å; R530-E552 WeakPolarHBondContact CG-OE1 3.13Å; R530-E552 IonicContact CZ-OE1 2.76Å; R530-E552 IonicContact CZ-OE2 2.88Å; R530-E552 IonicContact NE-OE1 3.08Å; R530-E552 PolarHBondContact NE-OE1 3.46Å; R530-E552 IonicContact NE-OE2 2.73Å; R530-E552 PolarHBondContact NE-OE2 2.75Å; R530-E552 VanDerWaalsContact NH2-CD 3.34Å; R530-E552 IonicContact NH2-OE1 2.86Å; R530-E552 IonicContact NH2-OE2 3.95Å; R530-E552 PolarHBondContact NH2-OE2 2.93Å
531	R	85.4	Confident	83.4	Confident	56 Å²	56	74.6 Å²	74.6	21%	0.211	40%	0.396	C	S	.	.	H	α-helix	trans	-69.5	-51.2	172.1	-66.9	166.3	-165.1	135.2	-0.2	109.5	E524 R527 T528 R529 A533 R534 E535 E545	E524-R531 IonicContact OE1-NH2 2.73Å; E524-R531 IonicContact OE2-CZ 3.13Å; E524-R531 IonicContact OE2-NH1 2.87Å; E524-R531 PolarHBondContact OE2-NH1 3.02Å; E524-R531 IonicContact OE2-NH2 3.41Å; E524-R531 PolarHBondContact OE2-NH2 2.93Å; R527-R531 WeakPolarHBondContact O-CG 3.4Å; R527-R531 PolarHBondContact O-N 3.38Å; T528-R531 WeakPolarHBondContact O-CB 3.45Å; T528-R531 PolarHBondContact O-N 3.46Å; T528-R531 VanDerWaalsContact O-N 3.08Å; T528-R531 PolarHBondContact OG1-NH1 3.06Å; R529-R531 VanDerWaalsContact C-N 3.35Å; R529-R531 PolarHBondContact O-N 2.91Å; R531-A533 PolarHBondContact O-N 3.48Å; R531-R534 PolarHBondContact O-N 3.35Å; R531-R534 VanDerWaalsContact O-N 3.13Å; R531-E535 WeakPolarHBondContact O-CG 3.45Å; R531-E535 PolarHBondContact O-N 2.93Å; R531-E545 IonicContact CZ-OE1 3.7Å; R531-E545 VanDerWaalsContact CZ-OE1 3.25Å; R531-E545 IonicContact NE-OE1 2.65Å; R531-E545 PolarHBondContact NE-OE1 2.97Å; R531-E545 IonicContact NH2-OE1 3.27Å; R531-E545 PolarHBondContact NH2-OE1 3.35Å; R531-E545 IonicContact NH2-OE2 2.84Å
532	Q	86.2	Confident	82.7	Confident	101 Å²	101	78.5 Å²	78.5	47%	0.472	40%	0.403	S	S	.	.	H	α-helix	trans	-58.6	-43.9	-179.6	-69.8	169.7	-17.6	0	0	113.4	T528 R529 R534 E535 Q536	T528-Q532 WeakPolarHBondContact O-CG 3.47Å; T528-Q532 PolarHBondContact O-N 2.98Å; R529-Q532 PolarHBondContact O-N 3.44Å; Q532-R534 VanDerWaalsContact C-N 3.34Å; Q532-R534 PolarHBondContact O-N 2.97Å; Q532-E535 WeakPolarHBondContact O-CB 3.4Å; Q532-E535 PolarHBondContact O-N 3.35Å; Q532-Q536 WeakPolarHBondContact O-CG 3.44Å; Q532-Q536 PolarHBondContact O-N 3.2Å
533	A	84.9	Confident	82.3	Confident	47 Å²	47	77.8 Å²	77.8	39%	0.388	40%	0.4	S	S	.	.	H	α-helix	trans	-63.4	-37.4	176.5	0	0	0	0	0	112.8	R529 R531 N537	R529-A533 PolarHBondContact O-N 2.86Å; R531-A533 PolarHBondContact O-N 3.48Å; A533-N537 PolarHBondContact O-N 2.88Å; A533-N537 VanDerWaalsContact O-N 3.11Å
534	R	85.3	Confident	82.1	Confident	39 Å²	39	80.9 Å²	80.9	15%	0.147	41%	0.413	C	S	.	.	H	α-helix	trans	-74.7	-25.4	174.9	-72.2	178	-68.3	140.5	-3.3	113.2	R530 R531 Q532 G538 K539 R540 H543	R530-R534 WeakPolarHBondContact O-CG 3.34Å; R530-R534 PolarHBondContact O-NE 3.43Å; R530-R534 PolarHBondContact O-NH2 3.18Å; R531-R534 PolarHBondContact O-N 3.35Å; R531-R534 VanDerWaalsContact O-N 3.13Å; Q532-R534 VanDerWaalsContact C-N 3.34Å; Q532-R534 PolarHBondContact O-N 2.97Å; R534-G538 CarbonylContact O-C 3.59Å; R534-G538 PolarHBondContact O-N 3.26Å; R534-K539 PolarHBondContact O-N 3.09Å; R534-K539 VanDerWaalsContact O-N 3.13Å; R534-R540 PolarHBondContact O-N 3.01Å; R534-H543 WeakPolarHBondContact CD-CD2 3.09Å; R534-H543 VanDerWaalsContact NH1-CG 3.26Å; R534-H543 PolarHBondContact NH1-ND1 3.17Å; R534-H543 PolarHBondContact NH1-O 3.03Å; R534-H543 VanDerWaalsContact NH1-O 3.12Å
535	E	84.9	Confident	81.8	Confident	75 Å²	75	80.7 Å²	80.7	35%	0.35	41%	0.412	S	S	.	.	H	α-helix	trans	-69.5	-43.7	171.3	-72.5	166.1	-126.4	0	0	111.3	R531 Q532 N537 G538 R540	R531-E535 WeakPolarHBondContact O-CG 3.45Å; R531-E535 PolarHBondContact O-N 2.93Å; Q532-E535 WeakPolarHBondContact O-CB 3.4Å; Q532-E535 PolarHBondContact O-N 3.35Å; E535-N537 VanDerWaalsContact C-N 3.33Å; E535-N537 PolarHBondContact O-N 3.23Å; E535-G538 PolarHBondContact O-N 3.34Å; E535-R540 VanDerWaalsContact CD-NH2 3.31Å; E535-R540 HydrophobicContact CG-CB 4.08Å; E535-R540 HydrophobicContact CG-CG 3.71Å; E535-R540 IonicContact OE1-CZ 2.71Å; E535-R540 IonicContact OE1-NE 2.72Å; E535-R540 IonicContact OE1-NH1 3.52Å; E535-R540 PolarHBondContact OE1-NH1 3.38Å; E535-R540 IonicContact OE1-NH2 2.98Å; E535-R540 PolarHBondContact OE1-NH2 3.29Å; E535-R540 IonicContact OE2-CZ 3.53Å; E535-R540 VanDerWaalsContact OE2-CZ 3.27Å; E535-R540 IonicContact OE2-NH1 3.69Å; E535-R540 PolarHBondContact OE2-NH1 2.74Å; E535-R540 IonicContact OE2-NH2 3.58Å; E535-R540 PolarHBondContact OE2-NH2 3.43Å
536	Q	84.8	Confident	81.6	Confident	161 Å²	161	79 Å²	79	75%	0.752	40%	0.399	S	S	*	.	H	α-helix	trans	-61.6	-40	173.5	-68.2	168.7	15.8	0	0	112	Q532 G538	Q532-Q536 WeakPolarHBondContact O-CG 3.44Å; Q532-Q536 PolarHBondContact O-N 3.2Å; Q536-G538 VanDerWaalsContact C-N 3.26Å; Q536-G538 PolarHBondContact O-N 3.41Å
537	N	80.1	Confident	81.5	Confident	122 Å²	122	82 Å²	82	65%	0.652	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.6	10.5	178.4	-66.4	-1.3	0	0	0	114	A533 E535 K539	A533-N537 PolarHBondContact O-N 2.88Å; A533-N537 VanDerWaalsContact O-N 3.11Å; E535-N537 VanDerWaalsContact C-N 3.33Å; E535-N537 PolarHBondContact O-N 3.23Å; N537-K539 PolarHBondContact O-N 2.98Å
538	G	76.2	Confident	81.4	Confident	64 Å²	64	81.8 Å²	81.8	66%	0.66	42%	0.418	S	S	*	.	S	Bend	trans	69.8	-20.4	178.9	0	0	0	0	0	116.7	R534 E535 Q536 R540	R534-G538 CarbonylContact O-C 3.59Å; R534-G538 PolarHBondContact O-N 3.26Å; E535-G538 PolarHBondContact O-N 3.34Å; Q536-G538 VanDerWaalsContact C-N 3.26Å; Q536-G538 PolarHBondContact O-N 3.41Å; G538-R540 PolarHBondContact O-N 3.08Å
539	K	73.6	Confident	81.3	Confident	148 Å²	148	80.2 Å²	80.2	64%	0.643	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.5	31.3	-172.7	-63.6	-179.4	-177.8	-174.3	0	114.7	R534 N537	R534-K539 PolarHBondContact O-N 3.09Å; R534-K539 VanDerWaalsContact O-N 3.13Å; N537-K539 PolarHBondContact O-N 2.98Å
540	R	69.6	Low	81.1	Confident	144 Å²	144	74.9 Å²	74.9	54%	0.543	39%	0.391	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-47.5	-176.7	-168.7	-154.9	-167.5	126.8	17.1	113.3	R534 E535 G538 E542	R534-R540 PolarHBondContact O-N 3.01Å; E535-R540 VanDerWaalsContact CD-NH2 3.31Å; E535-R540 HydrophobicContact CG-CB 4.08Å; E535-R540 HydrophobicContact CG-CG 3.71Å; E535-R540 IonicContact OE1-CZ 2.71Å; E535-R540 IonicContact OE1-NE 2.72Å; E535-R540 IonicContact OE1-NH1 3.52Å; E535-R540 PolarHBondContact OE1-NH1 3.38Å; E535-R540 IonicContact OE1-NH2 2.98Å; E535-R540 PolarHBondContact OE1-NH2 3.29Å; E535-R540 IonicContact OE2-CZ 3.53Å; E535-R540 VanDerWaalsContact OE2-CZ 3.27Å; E535-R540 IonicContact OE2-NH1 3.69Å; E535-R540 PolarHBondContact OE2-NH1 2.74Å; E535-R540 IonicContact OE2-NH2 3.58Å; E535-R540 PolarHBondContact OE2-NH2 3.43Å; G538-R540 PolarHBondContact O-N 3.08Å; R540-E542 PolarHBondContact O-N 3.47Å
541	A	62	Low	81	Confident	103 Å²	103	75.7 Å²	75.7	85%	0.851	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.8	-30.2	-164.8	0	0	0	0	0	114.1
542	E	70.4	Confident	81	Confident	146 Å²	146	75.6 Å²	75.6	68%	0.682	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82	-39.9	-175.6	-172.8	177.6	-161.6	0	0	112.8	R540 K544	R540-E542 PolarHBondContact O-N 3.47Å; E542-K544 PolarHBondContact O-N 3.34Å
543	H	81.5	Confident	81.2	Confident	60 Å²	60	72.4 Å²	72.4	28%	0.278	39%	0.385	S	S	.	.			trans	-77.3	104.1	-167.8	-179.6	-44	0	0	0	113.3	R534	R534-H543 WeakPolarHBondContact CD-CD2 3.09Å; R534-H543 VanDerWaalsContact NH1-CG 3.26Å; R534-H543 PolarHBondContact NH1-ND1 3.17Å; R534-H543 PolarHBondContact NH1-O 3.03Å; R534-H543 VanDerWaalsContact NH1-O 3.12Å
544	K	84.9	Confident	81.4	Confident	68 Å²	68	72.3 Å²	72.3	30%	0.296	38%	0.38	S	S	.	.			trans	-64.5	137.1	169.9	-38.1	-63.2	-175.3	-173.9	0	111	E542 G546 L547 W766 H815	E542-K544 PolarHBondContact O-N 3.34Å; K544-G546 VanDerWaalsContact C-N 3.32Å; K544-G546 PolarHBondContact O-N 3.11Å; K544-L547 HydrophobicContact CB-CD1 4.09Å; K544-L547 HydrophobicContact CB-CG 4.24Å; K544-L547 HydrophobicContact CG-CD1 4.14Å; K544-L547 PolarHBondContact O-N 3.49Å; K544-W766 HydrophobicContact CB-CB 4.19Å; K544-W766 HydrophobicContact CB-CD2 3.77Å; K544-W766 HydrophobicContact CB-CE3 4.43Å; K544-W766 HydrophobicContact CB-CG 3.59Å; K544-W766 HydrophobicContact CD-CZ2 4.17Å; K544-W766 HydrophobicContact CG-CD2 3.7Å; K544-W766 HydrophobicContact CG-CE3 4.09Å; K544-W766 HydrophobicContact CG-CG 4.1Å; K544-W766 HydrophobicContact CG-CH2 4.34Å; K544-W766 HydrophobicContact CG-CZ2 3.99Å; K544-W766 HydrophobicContact CG-CZ3 4.38Å; K544-H815 VanDerWaalsContact CE-NE2 3.26Å; K544-H815 WeakPolarHBondContact CE-NE2 3.43Å; K544-H815 PolarHBondContact NZ-NE2 2.86Å
545	E	81.6	Confident	81.6	Confident	59 Å²	59	75 Å²	75	28%	0.276	40%	0.404	S	S	.	.	G	3₁₀ helix	trans	-59.3	-34.6	-168.7	-73.4	-164.7	144.5	0	0	115	R531 L547 S548 R763	R531-E545 IonicContact CZ-OE1 3.7Å; R531-E545 VanDerWaalsContact CZ-OE1 3.25Å; R531-E545 IonicContact NE-OE1 2.65Å; R531-E545 PolarHBondContact NE-OE1 2.97Å; R531-E545 IonicContact NH2-OE1 3.27Å; R531-E545 PolarHBondContact NH2-OE1 3.35Å; R531-E545 IonicContact NH2-OE2 2.84Å; E545-L547 PolarHBondContact O-N 3.44Å; E545-S548 PolarHBondContact O-N 3.35Å; E545-R763 HydrophobicContact CB-CG 3.74Å; E545-R763 WeakPolarHBondContact OE2-CD 3.48Å; E545-R763 IonicContact OE2-CZ 3.45Å; E545-R763 IonicContact OE2-NE 3.55Å; E545-R763 IonicContact OE2-NH1 2.72Å; E545-R763 PolarHBondContact OE2-NH1 3.49Å
546	G	84.1	Confident	81.9	Confident	8 Å²	8	75.9 Å²	75.9	8%	0.082	42%	0.415	C	S	.	.	G	3₁₀ helix	trans	-70	-10.7	-179.3	0	0	0	0	0	115.9	K544 S548 R763 S767	K544-G546 VanDerWaalsContact C-N 3.32Å; K544-G546 PolarHBondContact O-N 3.11Å; G546-S548 PolarHBondContact O-N 2.87Å; G546-R763 VanDerWaalsContact CA-O 3.31Å; G546-R763 WeakPolarHBondContact CA-O 3.47Å; G546-S767 WeakPolarHBondContact O-CA 3.42Å
547	L	87.3	Confident	82.3	Confident	68 Å²	68	70.2 Å²	70.2	36%	0.356	39%	0.39	S	S	.	.	G	3₁₀ helix	trans	-76.4	-1.9	176.9	-59.4	176.3	0	0	0	113.2	K544 E545 W766 K770	K544-L547 HydrophobicContact CB-CD1 4.09Å; K544-L547 HydrophobicContact CB-CG 4.24Å; K544-L547 HydrophobicContact CG-CD1 4.14Å; K544-L547 PolarHBondContact O-N 3.49Å; E545-L547 PolarHBondContact O-N 3.44Å; L547-W766 HydrophobicContact CD2-CB 4.4Å; L547-W766 HydrophobicContact CD2-CE3 4.33Å; L547-W766 HydrophobicContact CG-CB 4.44Å; L547-K770 HydrophobicContact CD2-CB 4.2Å
548	S	86.4	Confident	83	Confident	26 Å²	26	67.8 Å²	67.8	18%	0.182	38%	0.376	C	S	.	.			trans	-81.8	139.6	175.3	-177.8	0	0	0	0	111.8	R530 E545 G546 K770	R530-S548 WeakPolarHBondContact CD-OG 3.43Å; R530-S548 PolarHBondContact NH1-OG 2.9Å; E545-S548 PolarHBondContact O-N 3.35Å; G546-S548 PolarHBondContact O-N 2.87Å; S548-K770 PolarHBondContact O-NZ 2.91Å
549	S	83.9	Confident	83.9	Confident	18 Å²	18	68 Å²	68	13%	0.126	37%	0.365	C	S	.	.			trans	-67.5	-31.2	175	-51.7	0	0	0	0	114.5	R477 D551 S693	R477-S549 PolarHBondContact NH2-O 3.19Å; S549-D551 WeakPolarHBondContact CB-OD1 3.26Å; S549-D551 WeakPolarHBondContact CB-OD2 3.38Å; S549-D551 PolarHBondContact OG-OD2 2.84Å; S549-S693 PolarHBondContact OG-N 3.46Å
550	D	83.6	Confident	85	Confident	22 Å²	22	63.6 Å²	63.6	12%	0.118	35%	0.353	C	S	.	.			trans	67	25.4	-167	-154	67.4	0	0	0	115.1	R476 R526 R530 E552	R476-D550 IonicContact CZ-OD2 3.25Å; R476-D550 IonicContact NE-OD2 3.39Å; R476-D550 PolarHBondContact NH2-O 2.98Å; R476-D550 IonicContact NH2-OD2 2.83Å; R476-D550 PolarHBondContact NH2-OD2 3.42Å; R526-D550 IonicContact NH1-OD1 2.93Å; R526-D550 PolarHBondContact NH1-OD1 3.26Å; R526-D550 IonicContact NH1-OD2 2.82Å; R526-D550 PolarHBondContact NH1-OD2 3.21Å; R530-D550 IonicContact CZ-OD1 2.74Å; R530-D550 VanDerWaalsContact CZ-OD1 3.23Å; R530-D550 IonicContact NH1-OD1 2.72Å; R530-D550 PolarHBondContact NH1-OD1 3.04Å; R530-D550 IonicContact NH2-OD1 2.65Å; R530-D550 PolarHBondContact NH2-OD1 2.87Å; D550-E552 PolarHBondContact O-N 3.29Å
551	D	84.1	Confident	86.3	Confident	55 Å²	55	57.4 Å²	57.4	29%	0.294	33%	0.33	S	S	.	.			trans	-63.3	9.8	178.7	-55.3	-33.3	0	0	0	114.9	S549 S692 S694	S549-D551 WeakPolarHBondContact CB-OD1 3.26Å; S549-D551 WeakPolarHBondContact CB-OD2 3.38Å; S549-D551 PolarHBondContact OG-OD2 2.84Å; D551-S692 VanDerWaalsContact OD1-CB 3.24Å; D551-S692 WeakPolarHBondContact OD1-CB 3.32Å; D551-S692 PolarHBondContact OD1-OG 2.95Å; D551-S692 PolarHBondContact OD2-OG 2.98Å; D551-S694 PolarHBondContact OD2-OG 3.45Å
552	E	86.1	Confident	87.9	Confident	53 Å²	53	54.9 Å²	54.9	25%	0.248	30%	0.302	C	S	.	.			trans	-82.1	136.6	-170.2	-62.6	172.6	167.4	0	0	112.2	R476 R526 R530 D550	R476-E552 VanDerWaalsContact CZ-O 3.25Å; R476-E552 PolarHBondContact NH1-O 2.7Å; R476-E552 PolarHBondContact NH2-O 2.7Å; R526-E552 WeakPolarHBondContact CB-OE2 3.3Å; R526-E552 VanDerWaalsContact CG-OE2 3.27Å; R526-E552 WeakPolarHBondContact CG-OE2 3.39Å; R530-E552 WeakPolarHBondContact CD-OE1 3.32Å; R530-E552 WeakPolarHBondContact CG-OE1 3.13Å; R530-E552 IonicContact CZ-OE1 2.76Å; R530-E552 IonicContact CZ-OE2 2.88Å; R530-E552 IonicContact NE-OE1 3.08Å; R530-E552 PolarHBondContact NE-OE1 3.46Å; R530-E552 IonicContact NE-OE2 2.73Å; R530-E552 PolarHBondContact NE-OE2 2.75Å; R530-E552 VanDerWaalsContact NH2-CD 3.34Å; R530-E552 IonicContact NH2-OE1 2.86Å; R530-E552 IonicContact NH2-OE2 3.95Å; R530-E552 PolarHBondContact NH2-OE2 2.93Å; D550-E552 PolarHBondContact O-N 3.29Å
553	E	88.9	Confident	89.2	Confident	34 Å²	34	54 Å²	54	16%	0.159	30%	0.3	C	S	.	.			trans	-117.6	168.5	175.6	-71.3	174.2	-77.2	0	0	112.3	R469 L473 I558	R469-E553 VanDerWaalsContact CG-OE2 3.32Å; R469-E553 WeakPolarHBondContact CG-OE2 3.36Å; R469-E553 IonicContact CZ-OE1 2.71Å; R469-E553 VanDerWaalsContact CZ-OE1 3.22Å; R469-E553 VanDerWaalsContact NE-CD 3.3Å; R469-E553 IonicContact NE-OE1 3.87Å; R469-E553 PolarHBondContact NE-OE1 3.45Å; R469-E553 IonicContact NE-OE2 2.75Å; R469-E553 PolarHBondContact NE-OE2 3.48Å; R469-E553 IonicContact NH2-OE1 3.9Å; R469-E553 PolarHBondContact NH2-OE1 3.16Å; L473-E553 HydrophobicContact CD2-CG 3.97Å; E553-I558 HydrophobicContact CB-CD1 3.98Å; E553-I558 HydrophobicContact CB-CG1 3.72Å
554	T	89.3	Confident	90	Very high	45 Å²	45	54.5 Å²	54.5	28%	0.276	30%	0.302	S	S	.	.			trans	-84.3	158.9	171.7	69.4	0	0	0	0	109.8	T556 D557 I558	T554-T556 VanDerWaalsContact C-N 3.28Å; T554-T556 PolarHBondContact O-N 3.43Å; T554-T556 PolarHBondContact OG1-OG1 3.17Å; T554-D557 PolarHBondContact O-N 2.96Å; T554-D557 WeakPolarHBondContact OG1-CB 3.46Å; T554-D557 PolarHBondContact OG1-N 2.89Å; T554-D557 PolarHBondContact OG1-OD1 3.11Å; T554-I558 WeakPolarHBondContact O-CD1 3.37Å; T554-I558 VanDerWaalsContact O-CG1 3.28Å; T554-I558 WeakPolarHBondContact O-CG1 3.42Å; T554-I558 PolarHBondContact O-N 2.83Å
555	S	89.6	Confident	90.5	Very high	95 Å²	95	54.9 Å²	54.9	66%	0.664	30%	0.302	S	S	*	.	H	α-helix	trans	-63.3	-34.1	174.6	49	0	0	0	0	112.6	T559	S555-T559 VanDerWaalsContact O-CB 3.32Å; S555-T559 WeakPolarHBondContact O-CB 3.09Å; S555-T559 PolarHBondContact O-N 2.92Å; S555-T559 PolarHBondContact O-OG1 2.71Å
556	T	91.6	Very high	91.3	Very high	95 Å²	95	55.5 Å²	55.5	58%	0.583	31%	0.307	S	S	*	.	H	α-helix	trans	-63.9	-45.1	175.3	48.8	0	0	0	0	111.8	T554 T559 S560	T554-T556 VanDerWaalsContact C-N 3.28Å; T554-T556 PolarHBondContact O-N 3.43Å; T554-T556 PolarHBondContact OG1-OG1 3.17Å; T556-T559 PolarHBondContact O-N 3.39Å; T556-S560 WeakPolarHBondContact O-CB 3.29Å; T556-S560 PolarHBondContact O-N 2.95Å; T556-S560 PolarHBondContact O-OG 3Å
557	D	93.3	Very high	92	Very high	42 Å²	42	61 Å²	61	23%	0.225	33%	0.325	C	S	.	.	H	α-helix	trans	-66.8	-47.5	-178	-72.1	41.1	0	0	0	110.4	R472 T554 T559 S560 F561	R472-D557 WeakPolarHBondContact CD-OD2 3.46Å; R472-D557 IonicContact CZ-OD2 2.77Å; R472-D557 IonicContact NE-OD2 3.19Å; R472-D557 IonicContact NH1-OD2 3.91Å; R472-D557 PolarHBondContact NH1-OD2 2.9Å; T554-D557 PolarHBondContact O-N 2.96Å; T554-D557 WeakPolarHBondContact OG1-CB 3.46Å; T554-D557 PolarHBondContact OG1-N 2.89Å; T554-D557 PolarHBondContact OG1-OD1 3.11Å; D557-T559 VanDerWaalsContact C-N 3.29Å; D557-T559 PolarHBondContact O-N 2.88Å; D557-S560 PolarHBondContact O-N 2.95Å; D557-S560 PolarHBondContact O-OG 2.9Å; D557-F561 WeakPolarHBondContact O-CB 3.42Å; D557-F561 PolarHBondContact O-N 3.38Å
558	I	94.1	Very high	92.5	Very high	70 Å²	70	58 Å²	58	36%	0.359	31%	0.309	S	S	.	.	H	α-helix	trans	-57	-43	174.3	-66.3	164.6	0	0	0	111	E553 T554 N562	E553-I558 HydrophobicContact CB-CD1 3.98Å; E553-I558 HydrophobicContact CB-CG1 3.72Å; T554-I558 WeakPolarHBondContact O-CD1 3.37Å; T554-I558 VanDerWaalsContact O-CG1 3.28Å; T554-I558 WeakPolarHBondContact O-CG1 3.42Å; T554-I558 PolarHBondContact O-N 2.83Å; I558-N562 WeakPolarHBondContact O-CB 3.43Å; I558-N562 VanDerWaalsContact O-CG 3.22Å; I558-N562 PolarHBondContact O-N 3.49Å; I558-N562 PolarHBondContact O-ND2 3.04Å
559	T	96.1	Very high	93	Very high	68 Å²	68	61.3 Å²	61.3	42%	0.417	32%	0.321	S	S	.	.	H	α-helix	trans	-65.2	-46.5	179	-56.8	0	0	0	0	110.9	S555 T556 D557 F561 N562 M563	S555-T559 VanDerWaalsContact O-CB 3.32Å; S555-T559 WeakPolarHBondContact O-CB 3.09Å; S555-T559 PolarHBondContact O-N 2.92Å; S555-T559 PolarHBondContact O-OG1 2.71Å; T556-T559 PolarHBondContact O-N 3.39Å; D557-T559 VanDerWaalsContact C-N 3.29Å; D557-T559 PolarHBondContact O-N 2.88Å; T559-F561 PolarHBondContact O-N 3.46Å; T559-N562 PolarHBondContact O-N 2.92Å; T559-M563 HydrophobicContact CG2-CE 3.71Å; T559-M563 HydrophobicContact CG2-SD 3.99Å; T559-M563 WeakPolarHBondContact O-CB 3.33Å; T559-M563 VanDerWaalsContact O-CG 3.3Å; T559-M563 WeakPolarHBondContact O-CG 3.37Å; T559-M563 PolarHBondContact O-N 2.88Å
560	S	96.8	Very high	93.6	Very high	57 Å²	57	63 Å²	63	40%	0.399	34%	0.335	S	S	.	.	H	α-helix	trans	-63.2	-39.9	178.5	69.3	0	0	0	0	113.1	T556 D557 M563 E564	T556-S560 WeakPolarHBondContact O-CB 3.29Å; T556-S560 PolarHBondContact O-N 2.95Å; T556-S560 PolarHBondContact O-OG 3Å; D557-S560 PolarHBondContact O-N 2.95Å; D557-S560 PolarHBondContact O-OG 2.9Å; S560-M563 PolarHBondContact O-N 3.01Å; S560-E564 PolarHBondContact O-N 2.79Å; S560-E564 VanDerWaalsContact O-N 3.16Å
561	F	96.5	Very high	94.3	Very high	13 Å²	13	65 Å²	65	6%	0.057	34%	0.344	C	S	.	.	H	α-helix	trans	-67.9	-44	177	173.7	-95.7	0	0	0	111.6	L465 L466 R469 D557 T559 E564 R565	L465-F561 HydrophobicContact CD1-CD2 3.9Å; L465-F561 HydrophobicContact CD1-CE2 4.4Å; L465-F561 HydrophobicContact CD2-CD2 4.13Å; L465-F561 HydrophobicContact CD2-CE2 4.08Å; L465-F561 HydrophobicContact CG-CD2 3.73Å; L465-F561 HydrophobicContact CG-CE2 3.72Å; L466-F561 HydrophobicContact CD2-CE2 4.08Å; L466-F561 HydrophobicContact CD2-CZ 3.79Å; R469-F561 HydrophobicContact CB-CD2 4.24Å; R469-F561 HydrophobicContact CB-CE2 4.29Å; R469-F561 VanDerWaalsContact CD-CD2 3.5Å; R469-F561 HydrophobicContact CG-CD2 4.42Å; R469-F561 VanDerWaalsContact NH1-CE1 3.3Å; D557-F561 WeakPolarHBondContact O-CB 3.42Å; D557-F561 PolarHBondContact O-N 3.38Å; T559-F561 PolarHBondContact O-N 3.46Å; F561-E564 PolarHBondContact O-N 2.68Å; F561-R565 WeakPolarHBondContact O-CB 2.86Å; F561-R565 PolarHBondContact O-N 3.38Å
562	N	96.1	Very high	94.9	Very high	50 Å²	50	63.3 Å²	63.3	27%	0.267	34%	0.336	S	S	.	.	H	α-helix	trans	-62.3	-43.1	175.7	-73.5	-29.1	0	0	0	111.5	I558 T559 E564 R565 D566	I558-N562 WeakPolarHBondContact O-CB 3.43Å; I558-N562 VanDerWaalsContact O-CG 3.22Å; I558-N562 PolarHBondContact O-N 3.49Å; I558-N562 PolarHBondContact O-ND2 3.04Å; T559-N562 PolarHBondContact O-N 2.92Å; N562-E564 PolarHBondContact O-N 3.02Å; N562-R565 PolarHBondContact O-N 3.12Å; N562-R565 VanDerWaalsContact OD1-CZ 3.26Å; N562-R565 PolarHBondContact OD1-NH1 3.19Å; N562-R565 PolarHBondContact OD1-NH2 3Å; N562-D566 VanDerWaalsContact O-CB 3.24Å; N562-D566 WeakPolarHBondContact O-CB 3.08Å; N562-D566 PolarHBondContact O-N 3.4Å
563	M	97.6	Very high	95.3	Very high	129 Å²	129	68.7 Å²	68.7	64%	0.635	36%	0.359	S	S	*	.	H	α-helix	trans	-57.7	-49.5	177.1	-76.6	171.2	169.3	0	0	112.2	T559 S560 D566 R567	T559-M563 HydrophobicContact CG2-CE 3.71Å; T559-M563 HydrophobicContact CG2-SD 3.99Å; T559-M563 WeakPolarHBondContact O-CB 3.33Å; T559-M563 VanDerWaalsContact O-CG 3.3Å; T559-M563 WeakPolarHBondContact O-CG 3.37Å; T559-M563 PolarHBondContact O-N 2.88Å; S560-M563 PolarHBondContact O-N 3.01Å; M563-D566 PolarHBondContact O-N 2.98Å; M563-R567 WeakPolarHBondContact O-CB 3.32Å; M563-R567 PolarHBondContact O-N 3.46Å
564	E	97.9	Very high	95.6	Very high	70 Å²	70	72.5 Å²	72.5	33%	0.327	38%	0.375	S	S	.	.	H	α-helix	trans	-72.2	-35.8	-179.7	-162.7	63	-160.2	0	0	112.2	L465 S560 F561 N562 D566 R567 I568	L465-E564 HydrophobicContact CD1-CB 4.01Å; L465-E564 HydrophobicContact CD1-CG 4.14Å; L465-E564 HydrophobicContact CD2-CB 3.96Å; L465-E564 HydrophobicContact CD2-CG 4.16Å; S560-E564 PolarHBondContact O-N 2.79Å; S560-E564 VanDerWaalsContact O-N 3.16Å; F561-E564 PolarHBondContact O-N 2.68Å; N562-E564 PolarHBondContact O-N 3.02Å; E564-D566 PolarHBondContact O-N 3.24Å; E564-R567 WeakPolarHBondContact O-CB 3.22Å; E564-R567 PolarHBondContact O-N 2.98Å; E564-R567 IonicContact OE1-CZ 3.54Å; E564-R567 IonicContact OE1-NE 3.33Å; E564-R567 IonicContact OE1-NH1 2.7Å; E564-R567 PolarHBondContact OE1-NH1 3.43Å; E564-I568 HydrophobicContact CG-CD1 4.36Å; E564-I568 VanDerWaalsContact O-CG1 3.31Å; E564-I568 WeakPolarHBondContact O-CG1 3.23Å; E564-I568 PolarHBondContact O-N 2.99Å
565	R	96.8	Very high	96	Very high	76 Å²	76	71.1 Å²	71.1	29%	0.287	37%	0.366	S	S	.	.	H	α-helix	trans	-60.2	-46.2	172.9	-178.9	-157.3	67.4	-146.7	-11.1	111.1	M462 L465 F561 N562 I568 K569	M462-R565 HydrophobicContact CE-CB 4.41Å; M462-R565 HydrophobicContact CE-CG 3.91Å; M462-R565 HydrophobicContact SD-CG 4.24Å; L465-R565 HydrophobicContact CD2-CB 4.04Å; F561-R565 WeakPolarHBondContact O-CB 2.86Å; F561-R565 PolarHBondContact O-N 3.38Å; N562-R565 PolarHBondContact O-N 3.12Å; N562-R565 VanDerWaalsContact OD1-CZ 3.26Å; N562-R565 PolarHBondContact OD1-NH1 3.19Å; N562-R565 PolarHBondContact OD1-NH2 3Å; R565-I568 PolarHBondContact O-N 2.7Å; R565-K569 VanDerWaalsContact O-CB 3.32Å; R565-K569 WeakPolarHBondContact O-CB 3.42Å; R565-K569 PolarHBondContact O-N 2.74Å
566	D	97.7	Very high	96.3	Very high	72 Å²	72	67.5 Å²	67.5	39%	0.385	34%	0.338	S	S	.	.	H	α-helix	trans	-75.8	-27.6	-176.2	-65.2	-22	0	0	0	111.5	N562 M563 E564 A570	N562-D566 VanDerWaalsContact O-CB 3.24Å; N562-D566 WeakPolarHBondContact O-CB 3.08Å; N562-D566 PolarHBondContact O-N 3.4Å; M563-D566 PolarHBondContact O-N 2.98Å; E564-D566 PolarHBondContact O-N 3.24Å; D566-A570 WeakPolarHBondContact O-CB 3.47Å; D566-A570 PolarHBondContact O-N 3.38Å
567	R	98.1	Very high	96.5	Very high	124 Å²	124	69.3 Å²	69.3	47%	0.468	34%	0.34	S	S	.	.	H	α-helix	trans	-60.1	-56.1	164	179.3	-169.3	164.7	-137.1	-15.1	111.4	M563 E564 K569 A570 E571	M563-R567 WeakPolarHBondContact O-CB 3.32Å; M563-R567 PolarHBondContact O-N 3.46Å; E564-R567 WeakPolarHBondContact O-CB 3.22Å; E564-R567 PolarHBondContact O-N 2.98Å; E564-R567 IonicContact OE1-CZ 3.54Å; E564-R567 IonicContact OE1-NE 3.33Å; E564-R567 IonicContact OE1-NH1 2.7Å; E564-R567 PolarHBondContact OE1-NH1 3.43Å; R567-K569 PolarHBondContact O-N 2.95Å; R567-A570 WeakPolarHBondContact O-CA 3.12Å; R567-A570 WeakPolarHBondContact O-CB 3.4Å; R567-A570 PolarHBondContact O-N 3.47Å; R567-E571 IonicContact CZ-OE1 3.23Å; R567-E571 IonicContact CZ-OE2 3.41Å; R567-E571 IonicContact NE-OE1 2.99Å; R567-E571 PolarHBondContact NE-OE1 2.9Å; R567-E571 IonicContact NE-OE2 3.6Å; R567-E571 IonicContact NH2-OE1 3.57Å; R567-E571 PolarHBondContact NH2-OE1 3.19Å; R567-E571 IonicContact NH2-OE2 2.71Å; R567-E571 PolarHBondContact NH2-OE2 3.41Å; R567-E571 PolarHBondContact O-N 3.5Å
568	I	98.1	Very high	96.6	Very high	3 Å²	3	72.7 Å²	72.7	2%	0.015	36%	0.359	C	S	.	.	H	α-helix	trans	-59.1	-37.4	179.5	-64.9	161.9	0	0	0	110.6	L458 A461 M462 L465 E564 R565 A570 E571 S572 I626	L458-I568 HydrophobicContact CB-CG2 4.48Å; L458-I568 HydrophobicContact CD2-CG2 4.19Å; A461-I568 HydrophobicContact CB-CD1 3.99Å; A461-I568 HydrophobicContact CB-CG1 4.38Å; M462-I568 HydrophobicContact CB-CG2 4.41Å; M462-I568 HydrophobicContact CE-CB 3.72Å; M462-I568 HydrophobicContact CE-CD1 3.94Å; M462-I568 HydrophobicContact CE-CG1 4.45Å; M462-I568 HydrophobicContact CE-CG2 3.62Å; L465-I568 HydrophobicContact CD2-CD1 4.07Å; E564-I568 HydrophobicContact CG-CD1 4.36Å; E564-I568 VanDerWaalsContact O-CG1 3.31Å; E564-I568 WeakPolarHBondContact O-CG1 3.23Å; E564-I568 PolarHBondContact O-N 2.99Å; R565-I568 PolarHBondContact O-N 2.7Å; I568-A570 VanDerWaalsContact C-N 3.32Å; I568-A570 PolarHBondContact O-N 3.49Å; I568-E571 PolarHBondContact O-N 2.84Å; I568-S572 WeakPolarHBondContact O-CB 3.33Å; I568-S572 PolarHBondContact O-N 3.25Å; I568-S572 PolarHBondContact O-OG 3.47Å; I568-I626 HydrophobicContact CG2-CG2 4.15Å
569	K	96.5	Very high	96.7	Very high	97 Å²	97	70.8 Å²	70.8	42%	0.422	35%	0.35	S	S	.	.	H	α-helix	trans	-69.7	-23.7	175.2	-169.8	178.9	-176.6	175.8	0	114	R565 R567 S572 T627	R565-K569 VanDerWaalsContact O-CB 3.32Å; R565-K569 WeakPolarHBondContact O-CB 3.42Å; R565-K569 PolarHBondContact O-N 2.74Å; R567-K569 PolarHBondContact O-N 2.95Å; K569-S572 PolarHBondContact O-OG 2.73Å; K569-T627 HydrophobicContact CB-CG2 4.06Å; K569-T627 HydrophobicContact CD-CG2 4.18Å; K569-T627 HydrophobicContact CG-CG2 4.06Å
570	A	97.3	Very high	96.7	Very high	52 Å²	52	72.3 Å²	72.3	43%	0.43	36%	0.359	S	S	.	.	H	α-helix	trans	-80.5	-44.8	171.5	0	0	0	0	0	110.7	D566 R567 I568 S572 K573	D566-A570 WeakPolarHBondContact O-CB 3.47Å; D566-A570 PolarHBondContact O-N 3.38Å; R567-A570 WeakPolarHBondContact O-CA 3.12Å; R567-A570 WeakPolarHBondContact O-CB 3.4Å; R567-A570 PolarHBondContact O-N 3.47Å; I568-A570 VanDerWaalsContact C-N 3.32Å; I568-A570 PolarHBondContact O-N 3.49Å; A570-S572 VanDerWaalsContact C-N 3.33Å; A570-S572 PolarHBondContact O-N 3.42Å; A570-K573 PolarHBondContact O-N 2.84Å; A570-K573 VanDerWaalsContact O-N 3.17Å
571	E	97.2	Very high	96.5	Very high	66 Å²	66	75.8 Å²	75.8	31%	0.308	37%	0.369	S	S	.	.	H	α-helix	trans	-61.6	-39.6	175.7	-68.8	173.2	175.3	0	0	111.3	L458 R567 I568 K573 K574	L458-E571 HydrophobicContact CD2-CB 3.75Å; R567-E571 IonicContact CZ-OE1 3.23Å; R567-E571 IonicContact CZ-OE2 3.41Å; R567-E571 IonicContact NE-OE1 2.99Å; R567-E571 PolarHBondContact NE-OE1 2.9Å; R567-E571 IonicContact NE-OE2 3.6Å; R567-E571 IonicContact NH2-OE1 3.57Å; R567-E571 PolarHBondContact NH2-OE1 3.19Å; R567-E571 IonicContact NH2-OE2 2.71Å; R567-E571 PolarHBondContact NH2-OE2 3.41Å; R567-E571 PolarHBondContact O-N 3.5Å; I568-E571 PolarHBondContact O-N 2.84Å; E571-K573 PolarHBondContact O-N 2.75Å; E571-K573 VanDerWaalsContact O-N 3.16Å; E571-K574 PolarHBondContact O-N 2.99Å
572	S	96.9	Very high	96.4	Very high	18 Å²	18	77.6 Å²	77.6	13%	0.126	38%	0.379	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-17.9	176.3	75.9	0	0	0	0	114.7	I568 K569 A570 L623	I568-S572 WeakPolarHBondContact O-CB 3.33Å; I568-S572 PolarHBondContact O-N 3.25Å; I568-S572 PolarHBondContact O-OG 3.47Å; K569-S572 PolarHBondContact O-OG 2.73Å; A570-S572 VanDerWaalsContact C-N 3.33Å; A570-S572 PolarHBondContact O-N 3.42Å; S572-L623 WeakPolarHBondContact O-CD1 3.48Å
573	K	95.2	Very high	96.4	Very high	167 Å²	167	77.4 Å²	77.4	73%	0.726	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83	-14.3	171.9	-72	-176.1	171.4	-162.4	0	113.2	A570 E571	A570-K573 PolarHBondContact O-N 2.84Å; A570-K573 VanDerWaalsContact O-N 3.17Å; E571-K573 PolarHBondContact O-N 2.75Å; E571-K573 VanDerWaalsContact O-N 3.16Å
574	K	96	Very high	96.2	Very high	114 Å²	114	73.9 Å²	73.9	50%	0.496	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.9	-12	-174.3	-61.7	-173.8	156.2	-87.2	0	114.4	E571 F576 E577	E571-K574 PolarHBondContact O-N 2.99Å; K574-F576 PolarHBondContact O-N 3.01Å; K574-E577 HydrophobicContact CB-CB 4.46Å; K574-E577 WeakPolarHBondContact CG-OE2 3.35Å; K574-E577 IonicContact NZ-OE1 2.72Å; K574-E577 PolarHBondContact NZ-OE1 3.41Å; K574-E577 IonicContact NZ-OE2 2.65Å; K574-E577 PolarHBondContact NZ-OE2 3.47Å; K574-E577 WeakPolarHBondContact O-CB 3.32Å; K574-E577 PolarHBondContact O-N 3.25Å
575	V	96.4	Very high	96.1	Very high	15 Å²	15	71.9 Å²	71.9	9%	0.091	35%	0.352	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.9	-27.9	-176.3	-178.1	0	0	0	0	113.3	K451 A454 V455 L458 L623	K451-V575 HydrophobicContact CB-CG1 4.21Å; K451-V575 WeakPolarHBondContact CD-O 3.35Å; A454-V575 HydrophobicContact CB-CG1 4.24Å; V455-V575 HydrophobicContact CG2-CG1 3.87Å; L458-V575 HydrophobicContact CD1-CG2 3.46Å; L458-V575 VanDerWaalsContact CD1-CG2 3.46Å; V575-L623 HydrophobicContact CG2-CD1 4.4Å
576	F	96.1	Very high	96	Very high	19 Å²	19	68.7 Å²	68.7	8%	0.083	34%	0.34	C	S	.	.	T	Hydrogen-bonded Turn	trans	-125.4	21.1	178.5	-63.9	-78.1	0	0	0	112.2	F448 K451 V455 K574 D578 V579 H584 L620 L623	F448-F576 HydrophobicContact CE1-CE1 4.46Å; F448-F576 HydrophobicContact CE1-CZ 4.48Å; K451-F576 HydrophobicContact CB-CD1 4.21Å; K451-F576 HydrophobicContact CB-CE1 3.51Å; K451-F576 HydrophobicContact CB-CZ 3.79Å; K451-F576 HydrophobicContact CG-CD1 3.95Å; K451-F576 HydrophobicContact CG-CE1 3.65Å; K451-F576 HydrophobicContact CG-CZ 4.42Å; V455-F576 HydrophobicContact CG2-CE2 4.41Å; K574-F576 PolarHBondContact O-N 3.01Å; F576-D578 PolarHBondContact O-N 3.1Å; F576-V579 HydrophobicContact CB-CB 4.21Å; F576-V579 HydrophobicContact CD1-CB 4.02Å; F576-V579 HydrophobicContact CD1-CG1 4.17Å; F576-V579 HydrophobicContact CD1-CG2 3.94Å; F576-V579 PolarHBondContact O-N 3.39Å; F576-H584 HydrophobicContact CB-CB 3.83Å; F576-H584 HydrophobicContact CD1-CB 3.4Å; F576-H584 HydrophobicContact CD2-CB 4.11Å; F576-H584 HydrophobicContact CE1-CB 3.87Å; F576-H584 HydrophobicContact CG-CB 3.53Å; F576-H584 AromaticContact CG-CG 3.98Å; F576-H584 HydrophobicContact CZ-CB 4.41Å; F576-L620 HydrophobicContact CE2-CD2 3.98Å; F576-L620 HydrophobicContact CZ-CD2 3.99Å; F576-L623 HydrophobicContact CD2-CD2 3.76Å; F576-L623 HydrophobicContact CE2-CD2 3.67Å
577	E	95.3	Very high	95.8	Very high	134 Å²	134	69 Å²	69	63%	0.626	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.3	-18.4	177.9	-178	172.1	-158.3	0	0	112.4	K574	K574-E577 HydrophobicContact CB-CB 4.46Å; K574-E577 WeakPolarHBondContact CG-OE2 3.35Å; K574-E577 IonicContact NZ-OE1 2.72Å; K574-E577 PolarHBondContact NZ-OE1 3.41Å; K574-E577 IonicContact NZ-OE2 2.65Å; K574-E577 PolarHBondContact NZ-OE2 3.47Å; K574-E577 WeakPolarHBondContact O-CB 3.32Å; K574-E577 PolarHBondContact O-N 3.25Å
578	D	95.5	Very high	95.6	Very high	113 Å²	113	64.7 Å²	64.7	60%	0.604	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.9	7.9	177.9	64.1	-33.6	0	0	0	114.1	K451 F576	K451-D578 WeakPolarHBondContact CE-OD1 3.33Å; K451-D578 VanDerWaalsContact NZ-CG 3.25Å; K451-D578 IonicContact NZ-OD1 2.62Å; K451-D578 PolarHBondContact NZ-OD1 3.08Å; K451-D578 IonicContact NZ-OD2 2.83Å; K451-D578 PolarHBondContact NZ-OD2 2.93Å; F576-D578 PolarHBondContact O-N 3.1Å
579	V	96.4	Very high	95.5	Very high	30 Å²	30	64.6 Å²	64.6	18%	0.182	33%	0.33	C	S	.	.	S	Bend	trans	-116.4	141.4	-174.4	179.9	0	0	0	0	110.9	K451 F576 F583 H584	K451-V579 HydrophobicContact CG-CG2 4.42Å; F576-V579 HydrophobicContact CB-CB 4.21Å; F576-V579 HydrophobicContact CD1-CB 4.02Å; F576-V579 HydrophobicContact CD1-CG1 4.17Å; F576-V579 HydrophobicContact CD1-CG2 3.94Å; F576-V579 PolarHBondContact O-N 3.39Å; V579-F583 HydrophobicContact CG1-CB 3.81Å; V579-H584 HydrophobicContact CG1-CB 4.26Å; V579-H584 PolarHBondContact O-CD2 2.99Å
580	V	95.4	Very high	95.4	Very high	100 Å²	100	61.2 Å²	61.2	61%	0.606	32%	0.315	S	S	*	.			trans	-73.1	144.2	177.6	-174.4	0	0	0	0	110.7	D582 F583	V580-D582 PolarHBondContact O-N 3.15Å; V580-D582 VanDerWaalsContact O-N 3.11Å; V580-F583 HydrophobicContact CB-CD2 4.47Å; V580-F583 PolarHBondContact O-N 2.77Å
581	E	94.1	Very high	95.2	Very high	130 Å²	130	61.3 Å²	61.3	61%	0.607	31%	0.313	S	S	*	.	G	3₁₀ helix	trans	-52.3	-37.6	-174.4	-63.5	-171.7	157.8	0	0	113.7	F583 H584 S585	E581-F583 PolarHBondContact O-N 3.4Å; E581-H584 PolarHBondContact O-N 2.83Å; E581-H584 VanDerWaalsContact O-N 3.14Å; E581-S585 WeakPolarHBondContact O-CA 3.47Å; E581-S585 WeakPolarHBondContact O-CB 3.21Å; E581-S585 PolarHBondContact O-N 2.89Å
582	D	94.6	Very high	95.1	Very high	51 Å²	51	63.2 Å²	63.2	27%	0.273	32%	0.317	S	S	.	.	G	3₁₀ helix	trans	-51.5	-22.5	174.3	-87.4	60.7	0	0	0	115.1	Y440 V580 R592	Y440-D582 WeakPolarHBondContact CE2-O 3.39Å; Y440-D582 PolarHBondContact OH-O 3.49Å; V580-D582 PolarHBondContact O-N 3.15Å; V580-D582 VanDerWaalsContact O-N 3.11Å; D582-R592 IonicContact OD2-CZ 3.04Å; D582-R592 IonicContact OD2-NE 3.7Å; D582-R592 IonicContact OD2-NH2 2.65Å; D582-R592 PolarHBondContact OD2-NH2 2.99Å
583	F	95.4	Very high	95	Very high	45 Å²	45	62.8 Å²	62.8	20%	0.197	31%	0.313	C	S	.	.	G	3₁₀ helix	trans	-113.1	-0.9	-176.9	-61.8	-69.7	0	0	0	115	Y440 D443 L444 F448 V579 V580 E581	Y440-F583 HydrophobicContact CD2-CD1 4.26Å; Y440-F583 AromaticContact CD2-CE1 3.46Å; Y440-F583 HydrophobicContact CD2-CE1 3.46Å; Y440-F583 VanDerWaalsContact CD2-CE1 3.46Å; Y440-F583 AromaticContact CD2-CZ 3.96Å; Y440-F583 HydrophobicContact CD2-CZ 3.96Å; Y440-F583 AromaticContact CE2-CD1 3.8Å; Y440-F583 HydrophobicContact CE2-CD1 3.8Å; Y440-F583 AromaticContact CE2-CE1 3.45Å; Y440-F583 HydrophobicContact CE2-CE1 3.45Å; Y440-F583 VanDerWaalsContact CE2-CE1 3.45Å; Y440-F583 HydrophobicContact CE2-CZ 4.14Å; Y440-F583 HydrophobicContact CG-CE1 4.48Å; D443-F583 HydrophobicContact CB-CD1 4.46Å; D443-F583 HydrophobicContact CB-CE1 3.58Å; D443-F583 HydrophobicContact CB-CZ 3.74Å; L444-F583 HydrophobicContact CB-CD1 3.91Å; L444-F583 HydrophobicContact CB-CE1 4.29Å; L444-F583 HydrophobicContact CD1-CB 4.27Å; L444-F583 HydrophobicContact CD1-CD1 4.06Å; L444-F583 WeakPolarHBondContact CD1-O 3.39Å; F448-F583 WeakPolarHBondContact CE1-O 3.12Å; V579-F583 HydrophobicContact CG1-CB 3.81Å; V580-F583 HydrophobicContact CB-CD2 4.47Å; V580-F583 PolarHBondContact O-N 2.77Å; E581-F583 PolarHBondContact O-N 3.4Å
584	H	94.2	Very high	94.9	Very high	55 Å²	55	57 Å²	57	26%	0.255	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-138.8	-18.6	176.2	83.2	73.6	0	0	0	114.8	F576 V579 E581 L586	F576-H584 HydrophobicContact CB-CB 3.83Å; F576-H584 HydrophobicContact CD1-CB 3.4Å; F576-H584 HydrophobicContact CD2-CB 4.11Å; F576-H584 HydrophobicContact CE1-CB 3.87Å; F576-H584 HydrophobicContact CG-CB 3.53Å; F576-H584 AromaticContact CG-CG 3.98Å; F576-H584 HydrophobicContact CZ-CB 4.41Å; V579-H584 HydrophobicContact CG1-CB 4.26Å; V579-H584 PolarHBondContact O-CD2 2.99Å; E581-H584 PolarHBondContact O-N 2.83Å; E581-H584 VanDerWaalsContact O-N 3.14Å; H584-L586 PolarHBondContact O-N 3.36Å
585	S	94.6	Very high	94.8	Very high	28 Å²	28	53.5 Å²	53.5	20%	0.196	28%	0.277	C	S	.	.			trans	-75.2	120.2	173.7	178.7	0	0	0	0	108.8	E581 D587 C588 I589	E581-S585 WeakPolarHBondContact O-CA 3.47Å; E581-S585 WeakPolarHBondContact O-CB 3.21Å; E581-S585 PolarHBondContact O-N 2.89Å; S585-D587 PolarHBondContact O-N 2.9Å; S585-C588 VanDerWaalsContact CB-SG 3.58Å; S585-C588 PolarHBondContact O-N 3.16Å; S585-I589 WeakPolarHBondContact O-CD1 3.26Å; S585-I589 WeakPolarHBondContact O-CG1 3.49Å; S585-I589 PolarHBondContact O-N 3.4Å
586	L	94.4	Very high	94.6	Very high	9 Å²	9	54 Å²	54	5%	0.047	28%	0.277	C	S	.	.	H	α-helix	trans	-59.8	-38.8	-178.9	-177.9	160.7	0	0	0	110.6	H584 K590 F617 L620 V621 W643 L647	H584-L586 PolarHBondContact O-N 3.36Å; L586-K590 WeakPolarHBondContact O-CB 3.44Å; L586-K590 PolarHBondContact O-N 3.28Å; L586-F617 HydrophobicContact CD1-CD1 4.43Å; L586-F617 HydrophobicContact CG-CD1 3.91Å; L586-F617 HydrophobicContact CG-CE1 4.23Å; L586-L620 HydrophobicContact CB-CD1 4.09Å; L586-V621 HydrophobicContact CD1-CG2 4.47Å; L586-W643 HydrophobicContact CD1-CB 3.86Å; L586-L647 HydrophobicContact CD1-CD1 4.36Å; L586-L647 HydrophobicContact CD1-CG 4.42Å; L586-L647 HydrophobicContact CD2-CD2 3.79Å; L586-L647 HydrophobicContact CD2-CG 4Å
587	D	93.7	Very high	94.4	Very high	79 Å²	79	54.7 Å²	54.7	42%	0.422	28%	0.28	S	S	.	.	H	α-helix	trans	-68.3	-40.1	177.8	-60.1	-69.5	0	0	0	112.8	S585 K590 S591 S646	S585-D587 PolarHBondContact O-N 2.9Å; D587-K590 PolarHBondContact O-N 2.64Å; D587-S591 WeakPolarHBondContact O-CB 3.48Å; D587-S591 PolarHBondContact O-N 3.18Å; D587-S646 VanDerWaalsContact CG-OG 3.31Å; D587-S646 WeakPolarHBondContact OD1-CB 3.32Å; D587-S646 PolarHBondContact OD1-OG 3.26Å; D587-S646 PolarHBondContact OD2-OG 2.88Å
588	C	94.5	Very high	94.1	Very high	33 Å²	33	53.4 Å²	53.4	22%	0.223	27%	0.269	C	S	.	.	H	α-helix	trans	-64.1	-49.1	175.8	-61	0	0	0	0	110.6	S585 K590 S591 R592	S585-C588 VanDerWaalsContact CB-SG 3.58Å; S585-C588 PolarHBondContact O-N 3.16Å; C588-K590 PolarHBondContact O-N 2.89Å; C588-S591 PolarHBondContact O-N 3.34Å; C588-S591 PolarHBondContact O-OG 2.82Å; C588-R592 PolarHBondContact O-N 2.95Å
589	I	95.4	Very high	93.9	Very high	1 Å²	1	52.5 Å²	52.5	1%	0.005	26%	0.261	C	S	.	.	H	α-helix	trans	-59.2	-49	176.4	-64	159.8	0	0	0	110.4	Y440 L444 F448 S585 S591 R592 F593 L616 F617 L620	Y440-I589 WeakPolarHBondContact OH-CA 3.37Å; Y440-I589 WeakPolarHBondContact OH-CG1 3.15Å; L444-I589 HydrophobicContact CD1-CD1 3.93Å; L444-I589 HydrophobicContact CD1-CG1 4.14Å; L444-I589 HydrophobicContact CD2-CG1 4.4Å; L444-I589 HydrophobicContact CD2-CG2 3.99Å; F448-I589 HydrophobicContact CZ-CD1 4.07Å; S585-I589 WeakPolarHBondContact O-CD1 3.26Å; S585-I589 WeakPolarHBondContact O-CG1 3.49Å; S585-I589 PolarHBondContact O-N 3.4Å; I589-S591 VanDerWaalsContact C-N 3.33Å; I589-S591 PolarHBondContact O-N 2.8Å; I589-R592 PolarHBondContact O-N 3.05Å; I589-F593 HydrophobicContact CG2-CD2 4.15Å; I589-F593 HydrophobicContact CG2-CE2 3.95Å; I589-F593 VanDerWaalsContact O-CD2 3.3Å; I589-F593 WeakPolarHBondContact O-CD2 3.46Å; I589-F593 PolarHBondContact O-N 3.41Å; I589-L616 HydrophobicContact CG2-CD2 3.74Å; I589-L616 HydrophobicContact CG2-CG 4.5Å; I589-F617 HydrophobicContact CB-CE1 4.28Å; I589-F617 HydrophobicContact CG2-CE1 3.84Å; I589-F617 HydrophobicContact CG2-CZ 4.43Å; I589-L620 HydrophobicContact CD1-CD1 3.66Å
590	K	94.4	Very high	93.7	Very high	27 Å²	27	53 Å²	53	12%	0.117	26%	0.261	C	S	.	.	H	α-helix	trans	-49.6	-51.8	174.5	161.7	178	176.9	-170.5	0	111.5	L586 D587 C588 R592 F593 E594 F617 S646 Y650	L586-K590 WeakPolarHBondContact O-CB 3.44Å; L586-K590 PolarHBondContact O-N 3.28Å; D587-K590 PolarHBondContact O-N 2.64Å; C588-K590 PolarHBondContact O-N 2.89Å; K590-R592 VanDerWaalsContact C-N 3.27Å; K590-R592 PolarHBondContact O-N 3.27Å; K590-F593 PolarHBondContact O-N 3.21Å; K590-F593 VanDerWaalsContact O-N 3.07Å; K590-E594 WeakPolarHBondContact CE-OE1 3.44Å; K590-E594 WeakPolarHBondContact CE-OE2 3.31Å; K590-E594 HydrophobicContact CG-CG 4.2Å; K590-E594 IonicContact NZ-OE1 3.26Å; K590-E594 PolarHBondContact O-N 3.19Å; K590-F617 HydrophobicContact CB-CE1 4.42Å; K590-F617 HydrophobicContact CB-CZ 4.23Å; K590-S646 VanDerWaalsContact CD-O 3.32Å; K590-S646 WeakPolarHBondContact CD-O 3.39Å; K590-S646 WeakPolarHBondContact CE-O 3.32Å; K590-S646 PolarHBondContact NZ-O 3.02Å; K590-Y650 HydrophobicContact CD-CD2 4.32Å; K590-Y650 HydrophobicContact CG-CD2 3.91Å; K590-Y650 HydrophobicContact CG-CE2 4.21Å
591	S	93.9	Very high	93.4	Very high	54 Å²	54	51 Å²	51	38%	0.378	25%	0.249	S	C	.	.	H	α-helix	trans	-59.2	-36.6	-174.3	75.4	0	0	0	0	113	D587 C588 I589 F593 E594 V595	D587-S591 WeakPolarHBondContact O-CB 3.48Å; D587-S591 PolarHBondContact O-N 3.18Å; C588-S591 PolarHBondContact O-N 3.34Å; C588-S591 PolarHBondContact O-OG 2.82Å; I589-S591 VanDerWaalsContact C-N 3.33Å; I589-S591 PolarHBondContact O-N 2.8Å; S591-F593 PolarHBondContact O-N 3.45Å; S591-E594 PolarHBondContact O-N 3.46Å; S591-V595 WeakPolarHBondContact O-CG2 3.38Å; S591-V595 PolarHBondContact O-N 2.86Å
592	R	94	Very high	93.2	Very high	106 Å²	106	48.8 Å²	48.8	40%	0.4	24%	0.242	S	C	.	.	H	α-helix	trans	-63.9	-39.7	177.1	-61.5	-70.6	-171.4	163.1	1.8	112	M437 Y440 D582 C588 I589 K590 W596	M437-R592 HydrophobicContact CE-CB 4.21Å; M437-R592 HydrophobicContact SD-CB 4.41Å; Y440-R592 HydrophobicContact CD1-CB 4.35Å; Y440-R592 HydrophobicContact CD1-CG 4.35Å; Y440-R592 HydrophobicContact CE1-CB 3.83Å; Y440-R592 HydrophobicContact CE1-CG 3.78Å; Y440-R592 HydrophobicContact CE2-CG 4.42Å; D582-R592 IonicContact OD2-CZ 3.04Å; D582-R592 IonicContact OD2-NE 3.7Å; D582-R592 IonicContact OD2-NH2 2.65Å; D582-R592 PolarHBondContact OD2-NH2 2.99Å; C588-R592 PolarHBondContact O-N 2.95Å; I589-R592 PolarHBondContact O-N 3.05Å; K590-R592 VanDerWaalsContact C-N 3.27Å; K590-R592 PolarHBondContact O-N 3.27Å; R592-W596 PolarHBondContact O-N 2.87Å
593	F	94.9	Very high	93	Very high	9 Å²	9	47.1 Å²	47.1	4%	0.039	23%	0.234	C	C	.	.	H	α-helix	trans	-77.6	-30.1	177.3	-71.1	-74.9	0	0	0	113.3	M437 V441 I589 K590 S591 W596 K597 Y604 I609 L613 L616 Y650	M437-F593 HydrophobicContact CE-CD1 4.43Å; M437-F593 HydrophobicContact CE-CE1 4.36Å; V441-F593 HydrophobicContact CG2-CE1 4.24Å; V441-F593 HydrophobicContact CG2-CZ 3.83Å; I589-F593 HydrophobicContact CG2-CD2 4.15Å; I589-F593 HydrophobicContact CG2-CE2 3.95Å; I589-F593 VanDerWaalsContact O-CD2 3.3Å; I589-F593 WeakPolarHBondContact O-CD2 3.46Å; I589-F593 PolarHBondContact O-N 3.41Å; K590-F593 PolarHBondContact O-N 3.21Å; K590-F593 VanDerWaalsContact O-N 3.07Å; S591-F593 PolarHBondContact O-N 3.45Å; F593-W596 AromaticContact CD1-CE3 3.98Å; F593-W596 HydrophobicContact CD1-CE3 3.98Å; F593-W596 HydrophobicContact CD1-CZ3 4.47Å; F593-W596 HydrophobicContact CE1-CE3 4.06Å; F593-W596 HydrophobicContact CE1-CZ3 4.12Å; F593-W596 PolarHBondContact O-N 3.21Å; F593-K597 WeakPolarHBondContact O-CB 3.25Å; F593-K597 PolarHBondContact O-N 2.97Å; F593-Y604 HydrophobicContact CB-CE2 4.48Å; F593-I609 HydrophobicContact CD1-CG2 3.63Å; F593-I609 HydrophobicContact CE1-CG2 3.96Å; F593-L613 HydrophobicContact CB-CD2 4.16Å; F593-L613 HydrophobicContact CD1-CD2 4.17Å; F593-L613 HydrophobicContact CD2-CD2 4.14Å; F593-L613 HydrophobicContact CG-CD2 3.88Å; F593-L616 HydrophobicContact CD2-CD2 4.1Å; F593-L616 HydrophobicContact CE2-CD2 3.32Å; F593-L616 HydrophobicContact CZ-CD2 3.76Å; F593-Y650 HydrophobicContact CB-CE2 4.45Å; F593-Y650 WeakPolarHBondContact CB-OH 3.47Å
594	E	93	Very high	92.9	Very high	44 Å²	44	45.6 Å²	45.6	21%	0.206	23%	0.227	C	C	.	.	H	α-helix	trans	-69.9	-37	171.8	-70	-177.8	141.3	0	0	112.5	K590 S591 K597 R598 Y650 G651	K590-E594 WeakPolarHBondContact CE-OE1 3.44Å; K590-E594 WeakPolarHBondContact CE-OE2 3.31Å; K590-E594 HydrophobicContact CG-CG 4.2Å; K590-E594 IonicContact NZ-OE1 3.26Å; K590-E594 PolarHBondContact O-N 3.19Å; S591-E594 PolarHBondContact O-N 3.46Å; E594-K597 PolarHBondContact O-N 3.45Å; E594-R598 WeakPolarHBondContact O-CB 3.41Å; E594-R598 PolarHBondContact O-N 3.24Å; E594-Y650 HydrophobicContact CG-CD2 4.05Å; E594-Y650 HydrophobicContact CG-CE2 3.6Å; E594-Y650 WeakPolarHBondContact OE1-CA 3.47Å; E594-G651 PolarHBondContact OE1-N 2.94Å
595	V	93.4	Very high	92.7	Very high	42 Å²	42	49.4 Å²	49.4	26%	0.255	24%	0.239	S	C	.	.	H	α-helix	trans	-56.7	-50.4	168.6	169.2	0	0	0	0	110	F433 S591 K597 R598 E599	F433-V595 HydrophobicContact CE2-CG1 3.88Å; F433-V595 HydrophobicContact CZ-CG1 4.32Å; S591-V595 WeakPolarHBondContact O-CG2 3.38Å; S591-V595 PolarHBondContact O-N 2.86Å; V595-K597 PolarHBondContact O-N 3.37Å; V595-R598 PolarHBondContact O-N 2.82Å; V595-E599 WeakPolarHBondContact O-CB 3.35Å; V595-E599 PolarHBondContact O-N 3.49Å
596	W	93.4	Very high	92.6	Very high	25 Å²	25	52.7 Å²	52.7	10%	0.095	25%	0.254	C	S	.	.	H	α-helix	trans	-57.5	-49.6	176.8	-167.5	-7	0	0	0	111.8	F433 L434 M437 R592 F593 R598 E599 Y600 Y604 A607 I609	F433-W596 HydrophobicContact CE1-CB 4.07Å; F433-W596 AromaticContact CE1-CD1 3.71Å; F433-W596 HydrophobicContact CE1-CD2 4.32Å; F433-W596 AromaticContact CE1-CG 3.77Å; F433-W596 HydrophobicContact CE1-CG 3.77Å; F433-W596 HydrophobicContact CZ-CB 3.8Å; F433-W596 HydrophobicContact CZ-CG 4.03Å; L434-W596 HydrophobicContact CD2-CZ2 3.96Å; M437-W596 HydrophobicContact CE-CD2 4.49Å; M437-W596 HydrophobicContact CE-CE3 3.68Å; M437-W596 HydrophobicContact CE-CZ3 4.27Å; R592-W596 PolarHBondContact O-N 2.87Å; F593-W596 AromaticContact CD1-CE3 3.98Å; F593-W596 HydrophobicContact CD1-CE3 3.98Å; F593-W596 HydrophobicContact CD1-CZ3 4.47Å; F593-W596 HydrophobicContact CE1-CE3 4.06Å; F593-W596 HydrophobicContact CE1-CZ3 4.12Å; F593-W596 PolarHBondContact O-N 3.21Å; W596-R598 VanDerWaalsContact C-N 3.32Å; W596-R598 PolarHBondContact O-N 3.35Å; W596-E599 PolarHBondContact O-N 3.03Å; W596-Y600 CarbonylContact O-C 3.36Å; W596-Y600 PolarHBondContact O-N 3.47Å; W596-Y604 HydrophobicContact CB-CD2 4.03Å; W596-Y604 HydrophobicContact CD2-CD2 4.16Å; W596-Y604 AromaticContact CG-CD2 3.86Å; W596-Y604 HydrophobicContact CG-CD2 3.86Å; W596-A607 HydrophobicContact CH2-CB 4.43Å; W596-A607 HydrophobicContact CZ2-CB 4.23Å; W596-I609 HydrophobicContact CE3-CD1 4.31Å; W596-I609 HydrophobicContact CE3-CG1 4.26Å; W596-I609 HydrophobicContact CH2-CD1 3.56Å; W596-I609 HydrophobicContact CH2-CG1 4.01Å; W596-I609 HydrophobicContact CZ2-CD1 4.29Å; W596-I609 HydrophobicContact CZ2-CG1 4.3Å; W596-I609 HydrophobicContact CZ3-CD1 3.57Å; W596-I609 HydrophobicContact CZ3-CG1 3.98Å
597	K	91.2	Very high	92.5	Very high	33 Å²	33	54.5 Å²	54.5	14%	0.143	27%	0.271	C	S	.	.	H	α-helix	trans	-60.2	-39.9	179.8	-175.9	173.3	-177.9	167.2	0	112.7	F593 E594 V595 P601 Y604 D662 D664	F593-K597 WeakPolarHBondContact O-CB 3.25Å; F593-K597 PolarHBondContact O-N 2.97Å; E594-K597 PolarHBondContact O-N 3.45Å; V595-K597 PolarHBondContact O-N 3.37Å; K597-P601 WeakPolarHBondContact O-CB 3.48Å; K597-Y604 HydrophobicContact CB-CD1 4.3Å; K597-Y604 HydrophobicContact CB-CD2 3.89Å; K597-Y604 HydrophobicContact CB-CE1 4.31Å; K597-Y604 HydrophobicContact CB-CE2 3.89Å; K597-Y604 HydrophobicContact CB-CG 4.1Å; K597-Y604 HydrophobicContact CD-CE1 4.15Å; K597-Y604 HydrophobicContact CG-CD1 4.21Å; K597-Y604 HydrophobicContact CG-CE1 4.22Å; K597-Y604 HydrophobicContact CG-CG 4.45Å; K597-D662 IonicContact NZ-OD1 3.44Å; K597-D662 PolarHBondContact NZ-OD1 2.92Å; K597-D662 IonicContact NZ-OD2 2.76Å; K597-D662 PolarHBondContact NZ-OD2 2.9Å; K597-D664 WeakPolarHBondContact CD-OD2 3.17Å; K597-D664 WeakPolarHBondContact CE-OD2 3.45Å; K597-D664 IonicContact NZ-OD2 3.83Å; K597-D664 PolarHBondContact NZ-OD2 3.45Å
598	R	90.3	Very high	92.4	Very high	108 Å²	108	58.3 Å²	58.3	41%	0.408	28%	0.28	S	S	.	.	H	α-helix	trans	-70.8	-46.3	-179.4	177.9	-180	63	-111	-2.2	112.5	E594 V595 W596 E653	E594-R598 WeakPolarHBondContact O-CB 3.41Å; E594-R598 PolarHBondContact O-N 3.24Å; V595-R598 PolarHBondContact O-N 2.82Å; W596-R598 VanDerWaalsContact C-N 3.32Å; W596-R598 PolarHBondContact O-N 3.35Å; R598-E653 WeakPolarHBondContact CD-OE1 3.5Å; R598-E653 WeakPolarHBondContact CG-OE1 3.36Å
599	E	90.6	Very high	92.3	Very high	93 Å²	93	57.7 Å²	57.7	44%	0.435	28%	0.275	S	S	.	.	H	α-helix	trans	-92.1	-32.5	-167.9	-72.5	161.7	-149.7	0	0	113.1	V595 W596	V595-E599 WeakPolarHBondContact O-CB 3.35Å; V595-E599 PolarHBondContact O-N 3.49Å; W596-E599 PolarHBondContact O-N 3.03Å
600	Y	91.1	Very high	92.1	Very high	42 Å²	42	58.3 Å²	58.3	17%	0.165	28%	0.282	C	S	.	.			trans	-133.2	60.5	179.4	-52.5	-82	0	0	0	112.1	R430 F433 W596 D602 C603 Y604	R430-Y600 HydrophobicContact CB-CD1 4.33Å; R430-Y600 HydrophobicContact CB-CE1 3.69Å; R430-Y600 HydrophobicContact CG-CD1 3.85Å; R430-Y600 HydrophobicContact CG-CE1 3.73Å; F433-Y600 HydrophobicContact CB-CE2 3.8Å; F433-Y600 AromaticContact CD1-CD2 3.37Å; F433-Y600 HydrophobicContact CD1-CD2 3.37Å; F433-Y600 AromaticContact CD1-CE2 3.39Å; F433-Y600 HydrophobicContact CD1-CE2 3.39Å; F433-Y600 HydrophobicContact CD1-CG 4.33Å; F433-Y600 HydrophobicContact CD2-CD2 4.47Å; F433-Y600 AromaticContact CD2-CE2 3.91Å; F433-Y600 HydrophobicContact CD2-CE2 3.91Å; F433-Y600 AromaticContact CE1-CD2 3.54Å; F433-Y600 HydrophobicContact CE1-CD2 3.54Å; F433-Y600 AromaticContact CE1-CE2 3.93Å; F433-Y600 HydrophobicContact CE1-CE2 3.93Å; F433-Y600 HydrophobicContact CE2-CE2 4.38Å; F433-Y600 AromaticContact CG-CD2 3.9Å; F433-Y600 HydrophobicContact CG-CD2 3.9Å; F433-Y600 AromaticContact CG-CE2 3.39Å; F433-Y600 HydrophobicContact CG-CE2 3.39Å; F433-Y600 HydrophobicContact CZ-CD2 4.16Å; F433-Y600 HydrophobicContact CZ-CE2 4.39Å; W596-Y600 CarbonylContact O-C 3.36Å; W596-Y600 PolarHBondContact O-N 3.47Å; Y600-D602 VanDerWaalsContact C-N 3.31Å; Y600-D602 PolarHBondContact O-N 3.13Å; Y600-C603 WeakPolarHBondContact O-CB 3.46Å; Y600-C603 PolarHBondContact O-N 3.26Å; Y600-C603 VanDerWaalsContact O-N 3.08Å; Y600-Y604 PolarHBondContact O-N 3.04Å
601	P	89.2	Confident	91.9	Very high	57 Å²	57	62.7 Å²	62.7	37%	0.37	31%	0.306	S	S	.	.	H	α-helix	trans	-58	-37	-173.3	22	-33.9	0	0	0	113.8	K597 Y604 R605	K597-P601 WeakPolarHBondContact O-CB 3.48Å; P601-Y604 WeakPolarHBondContact O-CB 3.36Å; P601-Y604 PolarHBondContact O-N 3.29Å; P601-R605 WeakPolarHBondContact O-CB 3.38Å; P601-R605 PolarHBondContact O-N 3.16Å
602	D	89.8	Confident	91.8	Very high	83 Å²	83	62.9 Å²	62.9	44%	0.444	31%	0.307	S	S	.	.	H	α-helix	trans	-64.2	-46.1	175.8	-67.3	-59.9	0	0	0	111.8	Y600 Y604 R605 D606	Y600-D602 VanDerWaalsContact C-N 3.31Å; Y600-D602 PolarHBondContact O-N 3.13Å; D602-Y604 VanDerWaalsContact C-N 3.26Å; D602-Y604 PolarHBondContact O-N 3.37Å; D602-R605 PolarHBondContact O-N 2.92Å; D602-R605 IonicContact OD1-CZ 2.93Å; D602-R605 IonicContact OD1-NH1 2.73Å; D602-R605 PolarHBondContact OD1-NH1 3.5Å; D602-R605 IonicContact OD1-NH2 2.63Å; D602-R605 PolarHBondContact OD1-NH2 3.43Å; D602-D606 VanDerWaalsContact O-CB 3.26Å; D602-D606 WeakPolarHBondContact O-CB 3.48Å; D602-D606 PolarHBondContact O-N 2.93Å
603	C	91.8	Very high	91.8	Very high	17 Å²	17	58 Å²	58	12%	0.115	29%	0.288	C	S	.	.	H	α-helix	trans	-60.5	-39.7	175.8	-62.4	0	0	0	0	111.6	R430 L434 Y600 A607	R430-C603 PolarHBondContact NE-SG 2.9Å; R430-C603 PolarHBondContact NH2-SG 3.39Å; L434-C603 HydrophobicContact CD2-CB 4.24Å; Y600-C603 WeakPolarHBondContact O-CB 3.46Å; Y600-C603 PolarHBondContact O-N 3.26Å; Y600-C603 VanDerWaalsContact O-N 3.08Å; C603-A607 WeakPolarHBondContact O-CB 3.34Å; C603-A607 PolarHBondContact O-N 3.49Å
604	Y	92.4	Very high	91.8	Very high	13 Å²	13	57.8 Å²	57.8	5%	0.051	29%	0.288	C	S	.	.	H	α-helix	trans	-64	-44.8	-179.5	-176.3	-86.6	0	0	0	112.1	F593 W596 K597 Y600 P601 D602 Y608 I609 L613 Y650 D664	F593-Y604 HydrophobicContact CB-CE2 4.48Å; W596-Y604 HydrophobicContact CB-CD2 4.03Å; W596-Y604 HydrophobicContact CD2-CD2 4.16Å; W596-Y604 AromaticContact CG-CD2 3.86Å; W596-Y604 HydrophobicContact CG-CD2 3.86Å; K597-Y604 HydrophobicContact CB-CD1 4.3Å; K597-Y604 HydrophobicContact CB-CD2 3.89Å; K597-Y604 HydrophobicContact CB-CE1 4.31Å; K597-Y604 HydrophobicContact CB-CE2 3.89Å; K597-Y604 HydrophobicContact CB-CG 4.1Å; K597-Y604 HydrophobicContact CD-CE1 4.15Å; K597-Y604 HydrophobicContact CG-CD1 4.21Å; K597-Y604 HydrophobicContact CG-CE1 4.22Å; K597-Y604 HydrophobicContact CG-CG 4.45Å; Y600-Y604 PolarHBondContact O-N 3.04Å; P601-Y604 WeakPolarHBondContact O-CB 3.36Å; P601-Y604 PolarHBondContact O-N 3.29Å; D602-Y604 VanDerWaalsContact C-N 3.26Å; D602-Y604 PolarHBondContact O-N 3.37Å; Y604-Y608 PolarHBondContact O-N 2.84Å; Y604-I609 HydrophobicContact CD1-CB 4.33Å; Y604-I609 HydrophobicContact CD2-CB 3.9Å; Y604-I609 HydrophobicContact CD2-CG1 4.07Å; Y604-I609 HydrophobicContact CD2-CG2 4.02Å; Y604-I609 HydrophobicContact CE1-CB 4.1Å; Y604-I609 HydrophobicContact CE1-CG2 4.44Å; Y604-I609 HydrophobicContact CE2-CB 3.67Å; Y604-I609 HydrophobicContact CE2-CG1 4.29Å; Y604-I609 HydrophobicContact CE2-CG2 3.38Å; Y604-I609 HydrophobicContact CG-CB 4.22Å; Y604-I609 HydrophobicContact CG-CG1 4.38Å; Y604-I609 WeakPolarHBondContact O-CG1 3.38Å; Y604-I609 PolarHBondContact O-N 3.23Å; Y604-L613 VanDerWaalsContact OH-CD1 3.28Å; Y604-L613 WeakPolarHBondContact OH-CD1 3.42Å; Y604-Y650 PolarHBondContact OH-OH 3.47Å; Y604-D664 VanDerWaalsContact CE1-OD2 3.31Å; Y604-D664 WeakPolarHBondContact CE1-OD2 3.23Å; Y604-D664 PolarHBondContact OH-OD1 2.88Å; Y604-D664 PolarHBondContact OH-OD2 2.97Å
605	R	90.6	Very high	91.7	Very high	134 Å²	134	62.7 Å²	62.7	51%	0.506	31%	0.309	S	S	.	.	H	α-helix	trans	-67.5	-48.3	175.4	-179.3	-165.6	62.6	-121.3	-11.2	111.6	P601 D602 A607 Y608	P601-R605 WeakPolarHBondContact O-CB 3.38Å; P601-R605 PolarHBondContact O-N 3.16Å; D602-R605 PolarHBondContact O-N 2.92Å; D602-R605 IonicContact OD1-CZ 2.93Å; D602-R605 IonicContact OD1-NH1 2.73Å; D602-R605 PolarHBondContact OD1-NH1 3.5Å; D602-R605 IonicContact OD1-NH2 2.63Å; D602-R605 PolarHBondContact OD1-NH2 3.43Å; R605-A607 VanDerWaalsContact C-N 3.27Å; R605-A607 PolarHBondContact O-N 3.49Å; R605-Y608 WeakPolarHBondContact O-CA 3.34Å; R605-Y608 PolarHBondContact O-N 2.96Å
606	D	92	Very high	91.8	Very high	97 Å²	97	61.7 Å²	61.7	52%	0.519	30%	0.302	S	S	.	.	H	α-helix	trans	-71.8	-22.9	-174	-60.1	-8.5	0	0	0	112.1	D602 Y608	D602-D606 VanDerWaalsContact O-CB 3.26Å; D602-D606 WeakPolarHBondContact O-CB 3.48Å; D602-D606 PolarHBondContact O-N 2.93Å; D606-Y608 VanDerWaalsContact C-N 3.32Å; D606-Y608 VanDerWaalsContact O-CD2 3.32Å; D606-Y608 WeakPolarHBondContact O-CD2 3.32Å; D606-Y608 VanDerWaalsContact O-CE2 3.3Å; D606-Y608 WeakPolarHBondContact O-CE2 3.31Å
607	A	91.9	Very high	91.9	Very high	48 Å²	48	60.5 Å²	60.5	40%	0.397	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.4	5.1	167.8	0	0	0	0	0	114.1	W596 C603 R605 I609	W596-A607 HydrophobicContact CH2-CB 4.43Å; W596-A607 HydrophobicContact CZ2-CB 4.23Å; C603-A607 WeakPolarHBondContact O-CB 3.34Å; C603-A607 PolarHBondContact O-N 3.49Å; R605-A607 VanDerWaalsContact C-N 3.27Å; R605-A607 PolarHBondContact O-N 3.49Å; A607-I609 VanDerWaalsContact C-N 3.27Å; A607-I609 HydrophobicContact CB-CD1 3.9Å; A607-I609 HydrophobicContact CB-CG1 4.02Å; A607-I609 PolarHBondContact O-N 3.45Å
608	Y	92.3	Very high	92.1	Very high	158 Å²	158	60.3 Å²	60.3	62%	0.62	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.2	31.1	176.4	-57.7	-88.6	0	0	0	115.1	Y604 R605 D606 G610 L611	Y604-Y608 PolarHBondContact O-N 2.84Å; R605-Y608 WeakPolarHBondContact O-CA 3.34Å; R605-Y608 PolarHBondContact O-N 2.96Å; D606-Y608 VanDerWaalsContact C-N 3.32Å; D606-Y608 VanDerWaalsContact O-CD2 3.32Å; D606-Y608 WeakPolarHBondContact O-CD2 3.32Å; D606-Y608 VanDerWaalsContact O-CE2 3.3Å; D606-Y608 WeakPolarHBondContact O-CE2 3.31Å; Y608-G610 VanDerWaalsContact C-N 3.33Å; Y608-G610 PolarHBondContact O-N 3.19Å; Y608-L611 HydrophobicContact CD1-CD1 4.01Å; Y608-L611 WeakPolarHBondContact O-CB 3.42Å; Y608-L611 PolarHBondContact O-N 2.87Å
609	I	92.7	Very high	92.3	Very high	20 Å²	20	55.9 Å²	55.9	10%	0.103	28%	0.283	C	S	.	.	H	α-helix	trans	-59.1	-39.5	-167.8	-59.6	-59.3	0	0	0	113	F593 W596 Y604 A607 L611 C612 L613	F593-I609 HydrophobicContact CD1-CG2 3.63Å; F593-I609 HydrophobicContact CE1-CG2 3.96Å; W596-I609 HydrophobicContact CE3-CD1 4.31Å; W596-I609 HydrophobicContact CE3-CG1 4.26Å; W596-I609 HydrophobicContact CH2-CD1 3.56Å; W596-I609 HydrophobicContact CH2-CG1 4.01Å; W596-I609 HydrophobicContact CZ2-CD1 4.29Å; W596-I609 HydrophobicContact CZ2-CG1 4.3Å; W596-I609 HydrophobicContact CZ3-CD1 3.57Å; W596-I609 HydrophobicContact CZ3-CG1 3.98Å; Y604-I609 HydrophobicContact CD1-CB 4.33Å; Y604-I609 HydrophobicContact CD2-CB 3.9Å; Y604-I609 HydrophobicContact CD2-CG1 4.07Å; Y604-I609 HydrophobicContact CD2-CG2 4.02Å; Y604-I609 HydrophobicContact CE1-CB 4.1Å; Y604-I609 HydrophobicContact CE1-CG2 4.44Å; Y604-I609 HydrophobicContact CE2-CB 3.67Å; Y604-I609 HydrophobicContact CE2-CG1 4.29Å; Y604-I609 HydrophobicContact CE2-CG2 3.38Å; Y604-I609 HydrophobicContact CG-CB 4.22Å; Y604-I609 HydrophobicContact CG-CG1 4.38Å; Y604-I609 WeakPolarHBondContact O-CG1 3.38Å; Y604-I609 PolarHBondContact O-N 3.23Å; A607-I609 VanDerWaalsContact C-N 3.27Å; A607-I609 HydrophobicContact CB-CD1 3.9Å; A607-I609 HydrophobicContact CB-CG1 4.02Å; A607-I609 PolarHBondContact O-N 3.45Å; I609-L611 PolarHBondContact O-N 3.38Å; I609-C612 CarbonylContact O-C 3.57Å; I609-C612 WeakPolarHBondContact O-CA 3.29Å; I609-C612 WeakPolarHBondContact O-CB 3.2Å; I609-C612 PolarHBondContact O-N 3.01Å; I609-L613 HydrophobicContact CG2-CD2 4.04Å; I609-L613 HydrophobicContact CG2-CG 4.23Å; I609-L613 PolarHBondContact O-N 3.17Å
610	G	90.6	Very high	92.6	Very high	15 Å²	15	51.8 Å²	51.8	16%	0.155	26%	0.264	C	S	.	.	H	α-helix	trans	-58.9	-28.3	176.2	0	0	0	0	0	115.1	Y608 C612 P614 D664	Y608-G610 VanDerWaalsContact C-N 3.33Å; Y608-G610 PolarHBondContact O-N 3.19Å; G610-C612 VanDerWaalsContact C-N 3.25Å; G610-C612 PolarHBondContact O-N 3.45Å; G610-P614 VanDerWaalsContact O-CD 3.24Å; G610-P614 WeakPolarHBondContact O-CD 3.45Å; G610-D664 WeakPolarHBondContact CA-OD1 3.41Å
611	L	90.8	Very high	92.9	Very high	118 Å²	118	49.8 Å²	49.8	62%	0.618	26%	0.256	S	S	*	.	H	α-helix	trans	-75.9	-16.1	173.9	-56.1	-175.2	0	0	0	112.7	Y608 I609	Y608-L611 HydrophobicContact CD1-CD1 4.01Å; Y608-L611 WeakPolarHBondContact O-CB 3.42Å; Y608-L611 PolarHBondContact O-N 2.87Å; I609-L611 PolarHBondContact O-N 3.38Å
612	C	92.4	Very high	93.2	Very high	59 Å²	59	51 Å²	51	40%	0.399	25%	0.253	S	S	.	.	H	α-helix	trans	-98.6	-32.7	179.7	-69.9	0	0	0	0	112.6	I609 G610 K615 L616	I609-C612 CarbonylContact O-C 3.57Å; I609-C612 WeakPolarHBondContact O-CA 3.29Å; I609-C612 WeakPolarHBondContact O-CB 3.2Å; I609-C612 PolarHBondContact O-N 3.01Å; G610-C612 VanDerWaalsContact C-N 3.25Å; G610-C612 PolarHBondContact O-N 3.45Å; C612-K615 WeakPolarHBondContact O-CA 3.45Å; C612-K615 VanDerWaalsContact O-CB 3.32Å; C612-K615 WeakPolarHBondContact O-CB 3.43Å; C612-K615 PolarHBondContact O-N 3.5Å; C612-L616 PolarHBondContact O-N 3.03Å; C612-L616 VanDerWaalsContact O-N 3.09Å
613	L	94	Very high	93.5	Very high	2 Å²	2	48.5 Å²	48.5	1%	0.01	24%	0.24	C	C	.	.	H	α-helix	trans	-49.9	-44.3	-179.6	-69.5	-171.8	0	0	0	115	F593 Y604 I609 K615 L616 F617 Y650 L667	F593-L613 HydrophobicContact CB-CD2 4.16Å; F593-L613 HydrophobicContact CD1-CD2 4.17Å; F593-L613 HydrophobicContact CD2-CD2 4.14Å; F593-L613 HydrophobicContact CG-CD2 3.88Å; Y604-L613 VanDerWaalsContact OH-CD1 3.28Å; Y604-L613 WeakPolarHBondContact OH-CD1 3.42Å; I609-L613 HydrophobicContact CG2-CD2 4.04Å; I609-L613 HydrophobicContact CG2-CG 4.23Å; I609-L613 PolarHBondContact O-N 3.17Å; L613-K615 VanDerWaalsContact C-N 3.26Å; L613-K615 PolarHBondContact O-N 3.11Å; L613-L616 PolarHBondContact O-N 2.85Å; L613-L616 VanDerWaalsContact O-N 3.1Å; L613-F617 HydrophobicContact CB-CD2 4.28Å; L613-F617 HydrophobicContact CB-CE2 4.07Å; L613-F617 HydrophobicContact CD1-CE2 4.37Å; L613-F617 HydrophobicContact CD2-CE2 3.96Å; L613-F617 HydrophobicContact CD2-CZ 4.43Å; L613-F617 HydrophobicContact CG-CE2 4.37Å; L613-F617 VanDerWaalsContact O-CD2 3.25Å; L613-F617 WeakPolarHBondContact O-CD2 3.36Å; L613-F617 PolarHBondContact O-N 3.12Å; L613-Y650 HydrophobicContact CD1-CD1 4.18Å; L613-Y650 HydrophobicContact CD1-CE1 3.48Å; L613-Y650 VanDerWaalsContact CD1-CE1 3.48Å; L613-Y650 HydrophobicContact CD1-CE2 3.94Å; L613-L667 HydrophobicContact CB-CD1 3.61Å; L613-L667 HydrophobicContact CB-CD2 4.39Å; L613-L667 HydrophobicContact CD1-CD2 3.93Å
614	P	93.6	Very high	93.7	Very high	6 Å²	6	51.2 Å²	51.2	4%	0.039	25%	0.251	C	S	.	.	H	α-helix	trans	-60.5	-37.9	176.9	-21.6	31.6	0	0	0	111.9	G610 L616 N618 L667 A670 I671	G610-P614 VanDerWaalsContact O-CD 3.24Å; G610-P614 WeakPolarHBondContact O-CD 3.45Å; P614-L616 VanDerWaalsContact C-N 3.31Å; P614-L616 PolarHBondContact O-N 3.38Å; P614-N618 WeakPolarHBondContact O-CB 3.11Å; P614-N618 PolarHBondContact O-N 3.06Å; P614-N618 VanDerWaalsContact O-N 3.07Å; P614-N618 PolarHBondContact O-ND2 3.39Å; P614-N618 PolarHBondContact O-OD1 3.4Å; P614-L667 HydrophobicContact CB-CD1 4.31Å; P614-L667 HydrophobicContact CG-CD1 3.76Å; P614-A670 HydrophobicContact CB-CB 4.06Å; P614-A670 HydrophobicContact CG-CB 3.88Å; P614-I671 HydrophobicContact CB-CG1 4.2Å
615	K	92.4	Very high	93.8	Very high	147 Å²	147	50.6 Å²	50.6	64%	0.639	25%	0.248	S	C	*	.	H	α-helix	trans	-66.6	-36	177.7	-54.3	174.8	-171.7	165.5	0	111.3	C612 L613	C612-K615 WeakPolarHBondContact O-CA 3.45Å; C612-K615 VanDerWaalsContact O-CB 3.32Å; C612-K615 WeakPolarHBondContact O-CB 3.43Å; C612-K615 PolarHBondContact O-N 3.5Å; L613-K615 VanDerWaalsContact C-N 3.26Å; L613-K615 PolarHBondContact O-N 3.11Å
616	L	94.6	Very high	94.1	Very high	21 Å²	21	44.3 Å²	44.3	11%	0.11	23%	0.225	C	C	.	.	H	α-helix	trans	-72.2	-46.4	-178.8	-167.5	73.2	0	0	0	112.3	L444 F448 I589 F593 C612 L613 P614 P619	L444-L616 HydrophobicContact CD2-CD1 3.9Å; L444-L616 HydrophobicContact CD2-CD2 4.08Å; L444-L616 HydrophobicContact CD2-CG 4.42Å; L444-L616 HydrophobicContact CG-CD1 4.33Å; F448-L616 HydrophobicContact CD2-CD1 4.06Å; F448-L616 HydrophobicContact CE2-CD1 3.72Å; F448-L616 HydrophobicContact CE2-CG 4.14Å; F448-L616 WeakPolarHBondContact CE2-O 3.43Å; I589-L616 HydrophobicContact CG2-CD2 3.74Å; I589-L616 HydrophobicContact CG2-CG 4.5Å; F593-L616 HydrophobicContact CD2-CD2 4.1Å; F593-L616 HydrophobicContact CE2-CD2 3.32Å; F593-L616 HydrophobicContact CZ-CD2 3.76Å; C612-L616 PolarHBondContact O-N 3.03Å; C612-L616 VanDerWaalsContact O-N 3.09Å; L613-L616 PolarHBondContact O-N 2.85Å; L613-L616 VanDerWaalsContact O-N 3.1Å; P614-L616 VanDerWaalsContact C-N 3.31Å; P614-L616 PolarHBondContact O-N 3.38Å; L616-P619 VanDerWaalsContact O-CD 3.27Å; L616-P619 WeakPolarHBondContact O-CD 3.46Å
617	F	96.1	Very high	94.2	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-78.9	-24.9	-179.4	-62.4	-60	0	0	0	113.5	L586 I589 K590 L613 P619 L620 V621 L647 L667 I671	L586-F617 HydrophobicContact CD1-CD1 4.43Å; L586-F617 HydrophobicContact CG-CD1 3.91Å; L586-F617 HydrophobicContact CG-CE1 4.23Å; I589-F617 HydrophobicContact CB-CE1 4.28Å; I589-F617 HydrophobicContact CG2-CE1 3.84Å; I589-F617 HydrophobicContact CG2-CZ 4.43Å; K590-F617 HydrophobicContact CB-CE1 4.42Å; K590-F617 HydrophobicContact CB-CZ 4.23Å; L613-F617 HydrophobicContact CB-CD2 4.28Å; L613-F617 HydrophobicContact CB-CE2 4.07Å; L613-F617 HydrophobicContact CD1-CE2 4.37Å; L613-F617 HydrophobicContact CD2-CE2 3.96Å; L613-F617 HydrophobicContact CD2-CZ 4.43Å; L613-F617 HydrophobicContact CG-CE2 4.37Å; L613-F617 VanDerWaalsContact O-CD2 3.25Å; L613-F617 WeakPolarHBondContact O-CD2 3.36Å; L613-F617 PolarHBondContact O-N 3.12Å; F617-P619 VanDerWaalsContact C-CD 3.44Å; F617-P619 VanDerWaalsContact O-N 3.14Å; F617-L620 PolarHBondContact O-N 3.25Å; F617-V621 HydrophobicContact CB-CG2 4.47Å; F617-V621 WeakPolarHBondContact O-CG2 3.05Å; F617-V621 PolarHBondContact O-N 3.06Å; F617-L647 HydrophobicContact CB-CD1 4.27Å; F617-L647 HydrophobicContact CD1-CD2 4.5Å; F617-L647 HydrophobicContact CD2-CD1 4.35Å; F617-L647 HydrophobicContact CD2-CD2 4.03Å; F617-L647 HydrophobicContact CE1-CD2 4.43Å; F617-L647 HydrophobicContact CE2-CD2 3.95Å; F617-L647 HydrophobicContact CG-CD1 4.31Å; F617-L647 HydrophobicContact CG-CD2 4.3Å; F617-L647 HydrophobicContact CZ-CD2 4.17Å; F617-L667 HydrophobicContact CD2-CD1 4.21Å; F617-L667 HydrophobicContact CD2-CD2 4.46Å; F617-L667 HydrophobicContact CE2-CD2 4.23Å; F617-I671 HydrophobicContact CB-CD1 3.99Å; F617-I671 HydrophobicContact CD2-CD1 4.46Å
618	N	95	Very high	94.3	Very high	29 Å²	29	40.8 Å²	40.8	16%	0.155	20%	0.201	C	C	.	.	H	α-helix	trans	-44.5	-45.8	-178.1	-90.1	-6.4	0	0	0	115.2	P614 V621 R622 V675	P614-N618 WeakPolarHBondContact O-CB 3.11Å; P614-N618 PolarHBondContact O-N 3.06Å; P614-N618 VanDerWaalsContact O-N 3.07Å; P614-N618 PolarHBondContact O-ND2 3.39Å; P614-N618 PolarHBondContact O-OD1 3.4Å; N618-V621 PolarHBondContact O-N 2.8Å; N618-R622 WeakPolarHBondContact O-CB 3.44Å; N618-R622 WeakPolarHBondContact O-CG 3.48Å; N618-R622 PolarHBondContact O-N 3.23Å; N618-V675 HydrophobicContact CB-CG2 4.21Å; N618-V675 WeakPolarHBondContact OD1-CG2 3.22Å
619	P	95.2	Very high	94.4	Very high	14 Å²	14	34.1 Å²	34.1	9%	0.091	18%	0.176	C	C	.	.	H	α-helix	trans	-66.5	-39.1	180	-19.8	33.5	0	0	0	113.4	V452 L616 F617 R622 L623	V452-P619 HydrophobicContact CB-CB 4.47Å; V452-P619 HydrophobicContact CG1-CB 4.14Å; V452-P619 HydrophobicContact CG1-CG 4.05Å; V452-P619 HydrophobicContact CG2-CB 3.64Å; V452-P619 HydrophobicContact CG2-CG 3.61Å; L616-P619 VanDerWaalsContact O-CD 3.27Å; L616-P619 WeakPolarHBondContact O-CD 3.46Å; F617-P619 VanDerWaalsContact C-CD 3.44Å; F617-P619 VanDerWaalsContact O-N 3.14Å; P619-R622 PolarHBondContact O-N 3.43Å; P619-L623 WeakPolarHBondContact O-CB 3.2Å; P619-L623 PolarHBondContact O-N 3.3Å
620	L	95.9	Very high	94.5	Very high	8 Å²	8	33.4 Å²	33.4	4%	0.042	17%	0.172	C	C	.	.	H	α-helix	trans	-67.7	-40.8	178.2	-55.4	-180	0	0	0	110.9	F448 F576 L586 I589 F617 L623 Q624	F448-L620 HydrophobicContact CE1-CD2 4.39Å; F448-L620 HydrophobicContact CZ-CD1 4.25Å; F448-L620 HydrophobicContact CZ-CD2 4.29Å; F448-L620 HydrophobicContact CZ-CG 4.25Å; F576-L620 HydrophobicContact CE2-CD2 3.98Å; F576-L620 HydrophobicContact CZ-CD2 3.99Å; L586-L620 HydrophobicContact CB-CD1 4.09Å; I589-L620 HydrophobicContact CD1-CD1 3.66Å; F617-L620 PolarHBondContact O-N 3.25Å; L620-L623 PolarHBondContact O-N 2.85Å; L620-Q624 PolarHBondContact O-N 2.89Å; L620-Q624 VanDerWaalsContact O-N 3.11Å
621	V	97.3	Very high	94.6	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-63.3	-43.5	173.4	-179.2	0	0	0	0	111.1	L586 F617 N618 L623 Q624 L625 W643 I671 V675	L586-V621 HydrophobicContact CD1-CG2 4.47Å; F617-V621 HydrophobicContact CB-CG2 4.47Å; F617-V621 WeakPolarHBondContact O-CG2 3.05Å; F617-V621 PolarHBondContact O-N 3.06Å; N618-V621 PolarHBondContact O-N 2.8Å; V621-L623 VanDerWaalsContact C-N 3.35Å; V621-L623 PolarHBondContact O-N 3.14Å; V621-Q624 PolarHBondContact O-N 2.89Å; V621-L625 HydrophobicContact CG1-CD1 3.8Å; V621-L625 HydrophobicContact CG1-CG 4.49Å; V621-L625 WeakPolarHBondContact O-CB 3.5Å; V621-L625 WeakPolarHBondContact O-CG 3.34Å; V621-L625 PolarHBondContact O-N 3.03Å; V621-W643 HydrophobicContact CB-CD2 4.43Å; V621-W643 HydrophobicContact CB-CG 4.46Å; V621-W643 HydrophobicContact CG1-CD2 3.59Å; V621-W643 HydrophobicContact CG1-CE3 3.8Å; V621-W643 HydrophobicContact CG1-CG 3.96Å; V621-W643 HydrophobicContact CG1-CH2 4.47Å; V621-W643 HydrophobicContact CG1-CZ2 4.28Å; V621-W643 HydrophobicContact CG1-CZ3 4.25Å; V621-W643 HydrophobicContact CG2-CB 4.01Å; V621-W643 HydrophobicContact CG2-CD2 4.13Å; V621-W643 HydrophobicContact CG2-CE3 3.96Å; V621-W643 HydrophobicContact CG2-CG 4.16Å; V621-I671 HydrophobicContact CB-CG2 4.3Å; V621-I671 HydrophobicContact CG1-CG2 3.91Å; V621-I671 HydrophobicContact CG2-CG2 3.95Å; V621-V675 HydrophobicContact CG1-CB 4.42Å; V621-V675 HydrophobicContact CG1-CG1 4.13Å
622	R	96.5	Very high	94.5	Very high	82 Å²	82	30.3 Å²	30.3	31%	0.309	15%	0.151	S	C	.	.	H	α-helix	trans	-61.5	-40.7	175.1	-74.9	173.2	79.9	160.1	6.1	112.2	V455 L456 E459 N618 P619 L625 I626 V675	V455-R622 HydrophobicContact CG1-CB 4.29Å; L456-R622 VanDerWaalsContact CD2-NH1 3.33Å; L456-R622 VanDerWaalsContact CD2-NH2 3.34Å; E459-R622 IonicContact OE2-CZ 3.05Å; E459-R622 IonicContact OE2-NE 2.7Å; E459-R622 PolarHBondContact OE2-NE 3.07Å; E459-R622 IonicContact OE2-NH2 2.98Å; E459-R622 PolarHBondContact OE2-NH2 3.16Å; N618-R622 WeakPolarHBondContact O-CB 3.44Å; N618-R622 WeakPolarHBondContact O-CG 3.48Å; N618-R622 PolarHBondContact O-N 3.23Å; P619-R622 PolarHBondContact O-N 3.43Å; R622-L625 CarbonylContact O-C 3.43Å; R622-L625 PolarHBondContact O-N 2.9Å; R622-I626 WeakPolarHBondContact O-CG1 3.3Å; R622-I626 PolarHBondContact O-N 3.34Å; R622-V675 HydrophobicContact CG-CB 4.45Å; R622-V675 HydrophobicContact CG-CG1 3.5Å; R622-V675 VanDerWaalsContact CG-CG1 3.5Å; R622-V675 HydrophobicContact CG-CG2 4.11Å
623	L	96.1	Very high	94.1	Very high	30 Å²	30	34.5 Å²	34.5	16%	0.157	17%	0.165	C	C	.	.	H	α-helix	trans	-61.4	-45.2	176.8	-174.8	57	0	0	0	111.9	V455 S572 V575 F576 P619 L620 V621 L625 I626	V455-L623 HydrophobicContact CG1-CB 3.95Å; V455-L623 HydrophobicContact CG1-CD1 4.33Å; V455-L623 HydrophobicContact CG2-CB 4.36Å; V455-L623 HydrophobicContact CG2-CD1 4.27Å; V455-L623 HydrophobicContact CG2-CD2 4.35Å; S572-L623 WeakPolarHBondContact O-CD1 3.48Å; V575-L623 HydrophobicContact CG2-CD1 4.4Å; F576-L623 HydrophobicContact CD2-CD2 3.76Å; F576-L623 HydrophobicContact CE2-CD2 3.67Å; P619-L623 WeakPolarHBondContact O-CB 3.2Å; P619-L623 PolarHBondContact O-N 3.3Å; L620-L623 PolarHBondContact O-N 2.85Å; V621-L623 VanDerWaalsContact C-N 3.35Å; V621-L623 PolarHBondContact O-N 3.14Å; L623-L625 VanDerWaalsContact C-N 3.31Å; L623-L625 PolarHBondContact O-N 2.69Å; L623-I626 HydrophobicContact CD1-CD1 3.7Å; L623-I626 PolarHBondContact O-N 3.32Å
624	Q	94.8	Very high	93.7	Very high	74 Å²	74	40.9 Å²	40.9	35%	0.346	21%	0.206	S	C	.	.	H	α-helix	trans	-64.3	-35.7	173.8	-66.3	-171.2	29.5	0	0	112.2	L620 V621 W643	L620-Q624 PolarHBondContact O-N 2.89Å; L620-Q624 VanDerWaalsContact O-N 3.11Å; V621-Q624 PolarHBondContact O-N 2.89Å; Q624-W643 VanDerWaalsContact OE1-N 3.11Å
625	L	96	Very high	93.3	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-82.4	-3.4	-179	-73.2	172.5	0	0	0	115.1	V621 R622 L623 T627 W628 M641 W643 V675 L676 K679	V621-L625 HydrophobicContact CG1-CD1 3.8Å; V621-L625 HydrophobicContact CG1-CG 4.49Å; V621-L625 WeakPolarHBondContact O-CB 3.5Å; V621-L625 WeakPolarHBondContact O-CG 3.34Å; V621-L625 PolarHBondContact O-N 3.03Å; R622-L625 CarbonylContact O-C 3.43Å; R622-L625 PolarHBondContact O-N 2.9Å; L623-L625 VanDerWaalsContact C-N 3.31Å; L623-L625 PolarHBondContact O-N 2.69Å; L625-T627 VanDerWaalsContact C-N 3.35Å; L625-T627 PolarHBondContact O-N 2.89Å; L625-W628 HydrophobicContact CD2-CB 3.85Å; L625-W628 HydrophobicContact CD2-CD2 4.05Å; L625-W628 HydrophobicContact CD2-CE3 4.21Å; L625-W628 HydrophobicContact CD2-CG 3.92Å; L625-W628 WeakPolarHBondContact O-CB 3.22Å; L625-W628 PolarHBondContact O-N 3.08Å; L625-M641 HydrophobicContact CD2-CE 3.95Å; L625-M641 HydrophobicContact CD2-SD 3.57Å; L625-M641 VanDerWaalsContact CD2-SD 3.57Å; L625-W643 HydrophobicContact CD1-CZ2 4.48Å; L625-V675 HydrophobicContact CD1-CG1 3.67Å; L625-L676 HydrophobicContact CD1-CD1 4.13Å; L625-L676 HydrophobicContact CD2-CD1 4.39Å; L625-K679 HydrophobicContact CB-CD 4.33Å; L625-K679 WeakPolarHBondContact O-CE 3.39Å; L625-K679 PolarHBondContact O-NZ 3.02Å
626	I	95.7	Very high	93	Very high	2 Å²	2	39 Å²	39	1%	0.01	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-48.2	-54.7	-175.6	-70.1	-173.5	0	0	0	111.7	L458 E459 M462 I568 R622 L623 W628 K679	L458-I626 HydrophobicContact CB-CD1 3.76Å; E459-I626 HydrophobicContact CB-CG1 4.23Å; M462-I626 HydrophobicContact CB-CG2 3.78Å; M462-I626 HydrophobicContact CE-CG2 4.31Å; M462-I626 HydrophobicContact CG-CG2 4.03Å; M462-I626 WeakPolarHBondContact CG-O 3.32Å; I568-I626 HydrophobicContact CG2-CG2 4.15Å; R622-I626 WeakPolarHBondContact O-CG1 3.3Å; R622-I626 PolarHBondContact O-N 3.34Å; L623-I626 HydrophobicContact CD1-CD1 3.7Å; L623-I626 PolarHBondContact O-N 3.32Å; I626-W628 VanDerWaalsContact C-N 3.33Å; I626-W628 PolarHBondContact O-N 2.93Å; I626-K679 PolarHBondContact O-NZ 2.83Å
627	T	93.7	Very high	92.7	Very high	61 Å²	61	39.4 Å²	39.4	37%	0.374	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.9	6.5	-177	58.6	0	0	0	0	114.9	M462 K569 L625	M462-T627 HydrophobicContact CE-CG2 4.01Å; K569-T627 HydrophobicContact CB-CG2 4.06Å; K569-T627 HydrophobicContact CD-CG2 4.18Å; K569-T627 HydrophobicContact CG-CG2 4.06Å; L625-T627 VanDerWaalsContact C-N 3.35Å; L625-T627 PolarHBondContact O-N 2.89Å
628	W	95.3	Very high	92.5	Very high	11 Å²	11	39.7 Å²	39.7	4%	0.042	22%	0.218	C	C	.	.			trans	-83.7	129.1	-178.6	178.8	80.2	0	0	0	112	L625 I626 P630 C635 A636 M641 L676 K679 L680 F702	L625-W628 HydrophobicContact CD2-CB 3.85Å; L625-W628 HydrophobicContact CD2-CD2 4.05Å; L625-W628 HydrophobicContact CD2-CE3 4.21Å; L625-W628 HydrophobicContact CD2-CG 3.92Å; L625-W628 WeakPolarHBondContact O-CB 3.22Å; L625-W628 PolarHBondContact O-N 3.08Å; I626-W628 VanDerWaalsContact C-N 3.33Å; I626-W628 PolarHBondContact O-N 2.93Å; W628-P630 HydrophobicContact CH2-CB 4.26Å; W628-P630 HydrophobicContact CH2-CG 3.68Å; W628-P630 HydrophobicContact CZ2-CB 4Å; W628-P630 HydrophobicContact CZ2-CG 3.92Å; W628-P630 HydrophobicContact CZ3-CG 4.13Å; W628-C635 PolarHBondContact NE1-SG 3.33Å; W628-C635 VanDerWaalsContact NE1-SG 3.42Å; W628-A636 PolarHBondContact NE1-O 2.63Å; W628-M641 HydrophobicContact CB-CE 4.22Å; W628-M641 HydrophobicContact CG-CE 3.86Å; W628-L676 HydrophobicContact CE3-CD1 4.16Å; W628-L676 HydrophobicContact CH2-CD1 3.61Å; W628-L676 HydrophobicContact CH2-CG 4.14Å; W628-L676 HydrophobicContact CZ2-CD1 4.24Å; W628-L676 HydrophobicContact CZ3-CD1 3.56Å; W628-L676 HydrophobicContact CZ3-CG 4.3Å; W628-K679 HydrophobicContact CE3-CD 4.16Å; W628-K679 WeakPolarHBondContact O-CE 3.5Å; W628-L680 HydrophobicContact CH2-CD2 4.07Å; W628-L680 HydrophobicContact CH2-CG 4.44Å; W628-L680 HydrophobicContact CZ3-CD2 4.31Å; W628-L680 HydrophobicContact CZ3-CG 4.47Å; W628-F702 HydrophobicContact CH2-CE1 4.1Å; W628-F702 HydrophobicContact CH2-CE2 4.18Å; W628-F702 AromaticContact CH2-CZ 3.69Å; W628-F702 HydrophobicContact CH2-CZ 3.69Å; W628-F702 HydrophobicContact CZ2-CE1 4.42Å; W628-F702 AromaticContact CZ2-CE2 3.68Å; W628-F702 HydrophobicContact CZ2-CE2 3.68Å; W628-F702 AromaticContact CZ2-CZ 3.61Å; W628-F702 HydrophobicContact CZ2-CZ 3.61Å
629	N	93.9	Very high	92.3	Very high	17 Å²	17	41.6 Å²	41.6	9%	0.091	23%	0.226	C	C	.	.			trans	-146.8	109.2	179.3	-178.7	11	0	0	0	111.1	L631 E632	N629-L631 PolarHBondContact O-N 3.17Å; N629-L631 VanDerWaalsContact OD1-CB 3.26Å; N629-L631 WeakPolarHBondContact OD1-CB 3.24Å; N629-L631 WeakPolarHBondContact OD1-CG 3.4Å; N629-L631 PolarHBondContact OD1-N 3.27Å; N629-E632 PolarHBondContact ND2-OE1 2.95Å; N629-E632 PolarHBondContact O-N 2.96Å
630	P	94.3	Very high	92.1	Very high	5 Å²	5	50 Å²	50	3%	0.032	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.8	-4.1	177.7	30.9	-35.8	0	0	0	114.3	W628 E632 L680 F702	W628-P630 HydrophobicContact CH2-CB 4.26Å; W628-P630 HydrophobicContact CH2-CG 3.68Å; W628-P630 HydrophobicContact CZ2-CB 4Å; W628-P630 HydrophobicContact CZ2-CG 3.92Å; W628-P630 HydrophobicContact CZ3-CG 4.13Å; P630-E632 VanDerWaalsContact C-N 3.31Å; P630-L680 HydrophobicContact CG-CD2 3.77Å; P630-F702 HydrophobicContact CB-CD2 4Å; P630-F702 HydrophobicContact CB-CE2 4.48Å; P630-F702 HydrophobicContact CB-CG 4.17Å
631	L	94	Very high	92	Very high	3 Å²	3	50.9 Å²	50.9	2%	0.016	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.8	-12.3	176.6	-54.9	177.9	0	0	0	113.1	N629 L683 V687 W688 Q695 R698 L699	N629-L631 PolarHBondContact O-N 3.17Å; N629-L631 VanDerWaalsContact OD1-CB 3.26Å; N629-L631 WeakPolarHBondContact OD1-CB 3.24Å; N629-L631 WeakPolarHBondContact OD1-CG 3.4Å; N629-L631 PolarHBondContact OD1-N 3.27Å; L631-L683 HydrophobicContact CD1-CB 4.34Å; L631-V687 HydrophobicContact CD1-CB 4.06Å; L631-V687 HydrophobicContact CD1-CG1 3.91Å; L631-W688 HydrophobicContact CD1-CB 4.04Å; L631-W688 HydrophobicContact CD2-CB 4.46Å; L631-Q695 HydrophobicContact CD2-CB 4.49Å; L631-R698 VanDerWaalsContact O-CZ 3.26Å; L631-R698 PolarHBondContact O-NE 3.48Å; L631-R698 PolarHBondContact O-NH2 3.17Å; L631-L699 HydrophobicContact CD2-CB 3.81Å; L631-L699 HydrophobicContact CD2-CD1 4.1Å; L631-L699 HydrophobicContact CD2-CD2 4.13Å; L631-L699 HydrophobicContact CD2-CG 4.22Å
632	E	87.8	Confident	91.7	Very high	66 Å²	66	56.5 Å²	56.5	31%	0.308	29%	0.291	S	S	.	.	S	Bend	trans	-123.2	167.8	-174.1	-68.1	-174.9	-110.8	0	0	112.5	R469 N629 P630	R469-E632 IonicContact CZ-OE2 3.42Å; R469-E632 IonicContact NH1-OE1 2.7Å; R469-E632 PolarHBondContact NH1-OE1 3.31Å; R469-E632 VanDerWaalsContact NH1-OE1 3.13Å; R469-E632 IonicContact NH1-OE2 2.76Å; R469-E632 PolarHBondContact NH1-OE2 3.19Å; R469-E632 IonicContact NH2-OE2 3.74Å; R469-E632 PolarHBondContact NH2-OE2 2.6Å; N629-E632 PolarHBondContact ND2-OE1 2.95Å; N629-E632 PolarHBondContact O-N 2.96Å; P630-E632 VanDerWaalsContact C-N 3.31Å
633	E	84.1	Confident	91.6	Very high	146 Å²	146	52.6 Å²	52.6	68%	0.682	28%	0.277	S	S	*	.	S	Bend	trans	-124.7	140.1	178	-76.9	168.7	-135.9	0	0	110.6	R698	E633-R698 WeakPolarHBondContact OE1-CD 3.49Å; E633-R698 IonicContact OE1-CZ 2.71Å; E633-R698 IonicContact OE1-NE 3.66Å; E633-R698 IonicContact OE1-NH1 2.98Å; E633-R698 PolarHBondContact OE1-NH1 3.32Å
634	P	84.9	Confident	91.5	Very high	136 Å²	136	51.8 Å²	51.8	88%	0.883	27%	0.272	S	S	*	.	S	Bend	cis	-77.4	132.3	-3.7	31.6	-34	0	0	0	112.4
635	C	85.4	Confident	91.3	Very high	53 Å²	53	54.3 Å²	54.3	36%	0.358	28%	0.284	S	S	.	.	P	Polyproline II helix	trans	-97.4	125.6	169	-179.5	0	0	0	0	109.8	W628	W628-C635 PolarHBondContact NE1-SG 3.33Å; W628-C635 VanDerWaalsContact NE1-SG 3.42Å
636	A	85.9	Confident	91	Very high	61 Å²	61	55 Å²	55	50%	0.504	29%	0.288	S	S	.	.	P	Polyproline II helix	trans	-67.4	144.5	167.6	0	0	0	0	0	110.5	W628 M641	W628-A636 PolarHBondContact NE1-O 2.63Å; A636-M641 HydrophobicContact CB-CE 4.24Å
637	N	89.8	Confident	90.9	Very high	30 Å²	30	55.1 Å²	55.1	16%	0.16	29%	0.289	C	S	.	.	P	Polyproline II helix	trans	-69.6	136.5	164.9	-166	13.1	0	0	0	108.8	E639 Y640	N637-E639 PolarHBondContact ND2-OE2 2.88Å; N637-E639 PolarHBondContact O-N 3.22Å; N637-Y640 HydrophobicContact CB-CD2 3.65Å; N637-Y640 HydrophobicContact CB-CE2 3.88Å; N637-Y640 HydrophobicContact CB-CG 4.15Å; N637-Y640 PolarHBondContact O-N 3.01Å
638	F	91.2	Very high	90.7	Very high	6 Å²	6	56.3 Å²	56.3	3%	0.026	29%	0.292	C	S	.	.	G	3₁₀ helix	trans	-70.9	-24.9	-179.6	69.5	-92.9	0	0	0	111.9	Y640 M641 W643 F644 V672 L676 F702 L706 Y710	F638-Y640 PolarHBondContact O-N 3.11Å; F638-M641 HydrophobicContact CB-CE 4.38Å; F638-M641 HydrophobicContact CB-SD 4.2Å; F638-M641 WeakPolarHBondContact O-CB 3.32Å; F638-M641 WeakPolarHBondContact O-CG 3.24Å; F638-M641 PolarHBondContact O-N 3Å; F638-M641 VanDerWaalsContact O-N 3.1Å; F638-W643 HydrophobicContact CB-CZ2 4.22Å; F638-W643 HydrophobicContact CD2-CH2 4.13Å; F638-W643 AromaticContact CD2-CZ2 3.94Å; F638-W643 HydrophobicContact CD2-CZ2 3.94Å; F638-F644 AromaticContact CD2-CD2 3.94Å; F638-F644 HydrophobicContact CD2-CD2 3.94Å; F638-F644 HydrophobicContact CD2-CE2 4.25Å; F638-F644 AromaticContact CE2-CD2 3.99Å; F638-F644 HydrophobicContact CE2-CD2 3.99Å; F638-F644 AromaticContact CE2-CE2 3.83Å; F638-F644 HydrophobicContact CE2-CE2 3.83Å; F638-F644 WeakPolarHBondContact O-CB 3.41Å; F638-V672 HydrophobicContact CE2-CG2 4.49Å; F638-L676 HydrophobicContact CD1-CD2 3.83Å; F638-L676 HydrophobicContact CD2-CD2 4.28Å; F638-L676 HydrophobicContact CE1-CD2 3.78Å; F638-L676 HydrophobicContact CE2-CD2 4.24Å; F638-L676 HydrophobicContact CG-CD2 4.08Å; F638-L676 HydrophobicContact CZ-CD2 3.99Å; F638-F702 HydrophobicContact CD1-CE2 4.06Å; F638-F702 AromaticContact CD1-CZ 3.73Å; F638-F702 HydrophobicContact CD1-CZ 3.73Å; F638-F702 HydrophobicContact CE1-CE2 4.2Å; F638-F702 AromaticContact CE1-CZ 3.71Å; F638-F702 HydrophobicContact CE1-CZ 3.71Å; F638-L706 HydrophobicContact CE1-CD1 4.18Å; F638-L706 HydrophobicContact CZ-CD1 3.97Å; F638-Y710 HydrophobicContact CE2-CE2 4.4Å; F638-Y710 HydrophobicContact CZ-CD2 4.45Å; F638-Y710 AromaticContact CZ-CE2 3.78Å; F638-Y710 HydrophobicContact CZ-CE2 3.78Å; F638-Y710 AromaticContact CZ-CZ 3.95Å
639	E	90.9	Very high	90.1	Very high	68 Å²	68	61.5 Å²	61.5	32%	0.318	32%	0.316	S	S	.	.	G	3₁₀ helix	trans	-66.9	-15.2	176	-51.9	173.4	143.1	0	0	113	N637 F644 Y710	N637-E639 PolarHBondContact ND2-OE2 2.88Å; N637-E639 PolarHBondContact O-N 3.22Å; E639-F644 HydrophobicContact CB-CD1 4.18Å; E639-F644 HydrophobicContact CB-CE1 4.05Å; E639-F644 HydrophobicContact CB-CZ 4.34Å; E639-F644 HydrophobicContact CG-CE1 4.37Å; E639-F644 HydrophobicContact CG-CE2 4.35Å; E639-F644 HydrophobicContact CG-CZ 4.15Å; E639-F644 WeakPolarHBondContact O-CD1 3.1Å; E639-Y710 WeakPolarHBondContact CG-OH 3.46Å; E639-Y710 VanDerWaalsContact OE1-CE2 3.3Å; E639-Y710 WeakPolarHBondContact OE1-CE2 3.34Å; E639-Y710 PolarHBondContact OE1-OH 2.58Å
640	Y	91.4	Very high	89.8	Confident	190 Å²	190	61.7 Å²	61.7	75%	0.745	32%	0.315	S	S	*	.	G	3₁₀ helix	trans	-105.6	20.4	175.1	-51.1	-29.2	0	0	0	112.1	N637 F638	N637-Y640 HydrophobicContact CB-CD2 3.65Å; N637-Y640 HydrophobicContact CB-CE2 3.88Å; N637-Y640 HydrophobicContact CB-CG 4.15Å; N637-Y640 PolarHBondContact O-N 3.01Å; F638-Y640 PolarHBondContact O-N 3.11Å
641	M	92.9	Very high	88.9	Confident	28 Å²	28	62.8 Å²	62.8	14%	0.138	33%	0.327	C	S	.	.	S	Bend	trans	-98.1	145.1	172.4	-62.2	-179.8	179.8	0	0	110.1	L625 W628 A636 F638 W643 F644 E645	L625-M641 HydrophobicContact CD2-CE 3.95Å; L625-M641 HydrophobicContact CD2-SD 3.57Å; L625-M641 VanDerWaalsContact CD2-SD 3.57Å; W628-M641 HydrophobicContact CB-CE 4.22Å; W628-M641 HydrophobicContact CG-CE 3.86Å; A636-M641 HydrophobicContact CB-CE 4.24Å; F638-M641 HydrophobicContact CB-CE 4.38Å; F638-M641 HydrophobicContact CB-SD 4.2Å; F638-M641 WeakPolarHBondContact O-CB 3.32Å; F638-M641 WeakPolarHBondContact O-CG 3.24Å; F638-M641 PolarHBondContact O-N 3Å; F638-M641 VanDerWaalsContact O-N 3.1Å; M641-W643 VanDerWaalsContact C-N 3.26Å; M641-W643 HydrophobicContact CB-CG 4.48Å; M641-W643 PolarHBondContact O-N 3.27Å; M641-W643 PolarHBondContact SD-NE1 3.41Å; M641-W643 VanDerWaalsContact SD-NE1 3.4Å; M641-F644 WeakPolarHBondContact O-CB 3.49Å; M641-F644 PolarHBondContact O-N 3.1Å; M641-E645 PolarHBondContact O-N 2.74Å
642	L	91.1	Very high	88.1	Confident	117 Å²	117	67.7 Å²	67.7	61%	0.613	35%	0.348	S	S	*	.	H	α-helix	trans	-51.3	-44.3	-177.5	-61.4	173.1	0	0	0	112.1	F644 E645 S646	L642-F644 PolarHBondContact O-N 3.24Å; L642-F644 VanDerWaalsContact O-N 3.16Å; L642-E645 PolarHBondContact O-N 2.67Å; L642-S646 WeakPolarHBondContact O-CB 3.32Å; L642-S646 PolarHBondContact O-N 3.2Å; L642-S646 PolarHBondContact O-OG 3.5Å; L642-S646 VanDerWaalsContact O-OG 3.05Å
643	W	94.3	Very high	87.3	Confident	1 Å²	1	67.9 Å²	67.9	0%	0.004	35%	0.349	C	S	.	.	H	α-helix	trans	-58.4	-30.6	178.3	74.6	-94.3	0	0	0	114.8	L586 V621 Q624 L625 F638 M641 L647 L668 I671 V672	L586-W643 HydrophobicContact CD1-CB 3.86Å; V621-W643 HydrophobicContact CB-CD2 4.43Å; V621-W643 HydrophobicContact CB-CG 4.46Å; V621-W643 HydrophobicContact CG1-CD2 3.59Å; V621-W643 HydrophobicContact CG1-CE3 3.8Å; V621-W643 HydrophobicContact CG1-CG 3.96Å; V621-W643 HydrophobicContact CG1-CH2 4.47Å; V621-W643 HydrophobicContact CG1-CZ2 4.28Å; V621-W643 HydrophobicContact CG1-CZ3 4.25Å; V621-W643 HydrophobicContact CG2-CB 4.01Å; V621-W643 HydrophobicContact CG2-CD2 4.13Å; V621-W643 HydrophobicContact CG2-CE3 3.96Å; V621-W643 HydrophobicContact CG2-CG 4.16Å; Q624-W643 VanDerWaalsContact OE1-N 3.11Å; L625-W643 HydrophobicContact CD1-CZ2 4.48Å; F638-W643 HydrophobicContact CB-CZ2 4.22Å; F638-W643 HydrophobicContact CD2-CH2 4.13Å; F638-W643 AromaticContact CD2-CZ2 3.94Å; F638-W643 HydrophobicContact CD2-CZ2 3.94Å; M641-W643 VanDerWaalsContact C-N 3.26Å; M641-W643 HydrophobicContact CB-CG 4.48Å; M641-W643 PolarHBondContact O-N 3.27Å; M641-W643 PolarHBondContact SD-NE1 3.41Å; M641-W643 VanDerWaalsContact SD-NE1 3.4Å; W643-L647 WeakPolarHBondContact O-CB 3.4Å; W643-L647 VanDerWaalsContact O-CG 3.29Å; W643-L647 WeakPolarHBondContact O-CG 3.39Å; W643-L647 PolarHBondContact O-N 3.42Å; W643-L668 HydrophobicContact CZ3-CD1 3.87Å; W643-I671 HydrophobicContact CE3-CG2 4.15Å; W643-I671 HydrophobicContact CH2-CG2 4.43Å; W643-I671 HydrophobicContact CZ3-CG2 3.73Å; W643-V672 HydrophobicContact CH2-CG2 4.2Å
644	F	94.2	Very high	86.4	Confident	13 Å²	13	68.8 Å²	68.8	6%	0.057	35%	0.354	C	S	.	.	H	α-helix	trans	-79.5	-47.9	179.4	-174.2	-83.7	0	0	0	109.9	F638 E639 M641 L642 S646 L647 L648 L668 Y710	F638-F644 AromaticContact CD2-CD2 3.94Å; F638-F644 HydrophobicContact CD2-CD2 3.94Å; F638-F644 HydrophobicContact CD2-CE2 4.25Å; F638-F644 AromaticContact CE2-CD2 3.99Å; F638-F644 HydrophobicContact CE2-CD2 3.99Å; F638-F644 AromaticContact CE2-CE2 3.83Å; F638-F644 HydrophobicContact CE2-CE2 3.83Å; F638-F644 WeakPolarHBondContact O-CB 3.41Å; E639-F644 HydrophobicContact CB-CD1 4.18Å; E639-F644 HydrophobicContact CB-CE1 4.05Å; E639-F644 HydrophobicContact CB-CZ 4.34Å; E639-F644 HydrophobicContact CG-CE1 4.37Å; E639-F644 HydrophobicContact CG-CE2 4.35Å; E639-F644 HydrophobicContact CG-CZ 4.15Å; E639-F644 WeakPolarHBondContact O-CD1 3.1Å; M641-F644 WeakPolarHBondContact O-CB 3.49Å; M641-F644 PolarHBondContact O-N 3.1Å; L642-F644 PolarHBondContact O-N 3.24Å; L642-F644 VanDerWaalsContact O-N 3.16Å; F644-S646 PolarHBondContact O-N 2.78Å; F644-L647 PolarHBondContact O-N 3.17Å; F644-L648 HydrophobicContact CE1-CD1 4.19Å; F644-L648 HydrophobicContact CE1-CD2 4.3Å; F644-L648 HydrophobicContact CZ-CD1 4.44Å; F644-L648 WeakPolarHBondContact O-CB 3.28Å; F644-L648 PolarHBondContact O-N 3.37Å; F644-L668 HydrophobicContact CD2-CD1 3.9Å; F644-L668 HydrophobicContact CD2-CD2 4.37Å; F644-L668 HydrophobicContact CE2-CD1 4.06Å; F644-L668 HydrophobicContact CE2-CD2 3.79Å; F644-L668 HydrophobicContact CE2-CG 4.21Å; F644-L668 HydrophobicContact CZ-CD2 3.92Å; F644-Y710 HydrophobicContact CE2-CE1 4.2Å; F644-Y710 WeakPolarHBondContact CE2-OH 3.47Å; F644-Y710 HydrophobicContact CZ-CE1 4.39Å; F644-Y710 WeakPolarHBondContact CZ-OH 3.38Å
645	E	90.5	Very high	85.3	Confident	127 Å²	127	70.9 Å²	70.9	59%	0.593	35%	0.351	S	S	*	.	H	α-helix	trans	-57.1	-48.2	176.9	-174.7	172.8	-173.6	0	0	111.8	M641 L642 L647	M641-E645 PolarHBondContact O-N 2.74Å; L642-E645 PolarHBondContact O-N 2.67Å; E645-L647 PolarHBondContact O-N 2.71Å
646	S	90.3	Very high	84.3	Confident	14 Å²	14	74.6 Å²	74.6	10%	0.098	36%	0.358	C	S	.	.	H	α-helix	trans	-61	-38.6	177.2	-63.6	0	0	0	0	113.5	D587 K590 L642 F644	D587-S646 VanDerWaalsContact CG-OG 3.31Å; D587-S646 WeakPolarHBondContact OD1-CB 3.32Å; D587-S646 PolarHBondContact OD1-OG 3.26Å; D587-S646 PolarHBondContact OD2-OG 2.88Å; K590-S646 VanDerWaalsContact CD-O 3.32Å; K590-S646 WeakPolarHBondContact CD-O 3.39Å; K590-S646 WeakPolarHBondContact CE-O 3.32Å; K590-S646 PolarHBondContact NZ-O 3.02Å; L642-S646 WeakPolarHBondContact O-CB 3.32Å; L642-S646 PolarHBondContact O-N 3.2Å; L642-S646 PolarHBondContact O-OG 3.5Å; L642-S646 VanDerWaalsContact O-OG 3.05Å; F644-S646 PolarHBondContact O-N 2.78Å
647	L	92.4	Very high	83.1	Confident	4 Å²	4	77.7 Å²	77.7	2%	0.021	37%	0.37	C	S	.	.	H	α-helix	trans	-91.1	-16.3	-176	-64.6	-178.4	0	0	0	114.3	L586 F617 W643 F644 E645 F649 Y650 L667 L668 I671	L586-L647 HydrophobicContact CD1-CD1 4.36Å; L586-L647 HydrophobicContact CD1-CG 4.42Å; L586-L647 HydrophobicContact CD2-CD2 3.79Å; L586-L647 HydrophobicContact CD2-CG 4Å; F617-L647 HydrophobicContact CB-CD1 4.27Å; F617-L647 HydrophobicContact CD1-CD2 4.5Å; F617-L647 HydrophobicContact CD2-CD1 4.35Å; F617-L647 HydrophobicContact CD2-CD2 4.03Å; F617-L647 HydrophobicContact CE1-CD2 4.43Å; F617-L647 HydrophobicContact CE2-CD2 3.95Å; F617-L647 HydrophobicContact CG-CD1 4.31Å; F617-L647 HydrophobicContact CG-CD2 4.3Å; F617-L647 HydrophobicContact CZ-CD2 4.17Å; W643-L647 WeakPolarHBondContact O-CB 3.4Å; W643-L647 VanDerWaalsContact O-CG 3.29Å; W643-L647 WeakPolarHBondContact O-CG 3.39Å; W643-L647 PolarHBondContact O-N 3.42Å; F644-L647 PolarHBondContact O-N 3.17Å; E645-L647 PolarHBondContact O-N 2.71Å; L647-F649 PolarHBondContact O-N 2.91Å; L647-Y650 WeakPolarHBondContact O-CB 3.37Å; L647-Y650 PolarHBondContact O-N 3.35Å; L647-Y650 VanDerWaalsContact O-N 3.12Å; L647-L667 HydrophobicContact CD2-CD2 4.42Å; L647-L668 HydrophobicContact CB-CD1 4.23Å; L647-I671 HydrophobicContact CD1-CD1 3.46Å; L647-I671 VanDerWaalsContact CD1-CD1 3.46Å
648	L	89.1	Confident	81.8	Confident	86 Å²	86	82 Å²	82	45%	0.45	39%	0.393	S	S	.	.	H	α-helix	trans	-56.7	-34.2	-178.4	-179.1	61.2	0	0	0	113.3	F644 L668	F644-L648 HydrophobicContact CE1-CD1 4.19Å; F644-L648 HydrophobicContact CE1-CD2 4.3Å; F644-L648 HydrophobicContact CZ-CD1 4.44Å; F644-L648 WeakPolarHBondContact O-CB 3.28Å; F644-L648 PolarHBondContact O-N 3.37Å; L648-L668 HydrophobicContact CD1-CD2 4Å
649	F	84.2	Confident	80.6	Confident	121 Å²	121	88.5 Å²	88.5	53%	0.531	42%	0.423	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.7	25.6	-179.9	-56.7	-72.9	0	0	0	113	L647 G651 F652	L647-F649 PolarHBondContact O-N 2.91Å; F649-G651 PolarHBondContact O-N 3.27Å; F649-F652 HydrophobicContact CB-CB 4.33Å; F649-F652 HydrophobicContact CD1-CD1 4.49Å; F649-F652 PolarHBondContact O-N 3.37Å
650	Y	87.9	Confident	79.3	Confident	21 Å²	21	94.7 Å²	94.7	8%	0.082	45%	0.449	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.1	122	178.7	179.8	-85.8	0	0	0	111.3	K590 F593 E594 Y604 L613 L647 F652 D664 L667	K590-Y650 HydrophobicContact CD-CD2 4.32Å; K590-Y650 HydrophobicContact CG-CD2 3.91Å; K590-Y650 HydrophobicContact CG-CE2 4.21Å; F593-Y650 HydrophobicContact CB-CE2 4.45Å; F593-Y650 WeakPolarHBondContact CB-OH 3.47Å; E594-Y650 HydrophobicContact CG-CD2 4.05Å; E594-Y650 HydrophobicContact CG-CE2 3.6Å; E594-Y650 WeakPolarHBondContact OE1-CA 3.47Å; Y604-Y650 PolarHBondContact OH-OH 3.47Å; L613-Y650 HydrophobicContact CD1-CD1 4.18Å; L613-Y650 HydrophobicContact CD1-CE1 3.48Å; L613-Y650 VanDerWaalsContact CD1-CE1 3.48Å; L613-Y650 HydrophobicContact CD1-CE2 3.94Å; L647-Y650 WeakPolarHBondContact O-CB 3.37Å; L647-Y650 PolarHBondContact O-N 3.35Å; L647-Y650 VanDerWaalsContact O-N 3.12Å; Y650-F652 PolarHBondContact O-N 2.99Å; Y650-D664 HydrophobicContact CD1-CB 4.04Å; Y650-D664 HydrophobicContact CE1-CB 4.02Å; Y650-L667 HydrophobicContact CD1-CD2 3.74Å; Y650-L667 HydrophobicContact CD2-CD2 4.09Å; Y650-L667 HydrophobicContact CE1-CD2 4.43Å; Y650-L667 HydrophobicContact CG-CD2 3.59Å
651	G	74.9	Confident	78.2	Confident	27 Å²	27	93.5 Å²	93.5	28%	0.278	46%	0.456	S	S	.	.	T	Hydrogen-bonded Turn	trans	68.5	13.1	178.7	0	0	0	0	0	115	E594 F649	E594-G651 PolarHBondContact OE1-N 2.94Å; F649-G651 PolarHBondContact O-N 3.27Å
652	F	77.2	Confident	77.5	Confident	106 Å²	106	94.2 Å²	94.2	47%	0.465	46%	0.46	S	S	.	.			trans	-83.2	117.8	177.3	179.3	-97	0	0	0	111.3	F649 Y650 E654 L658	F649-F652 HydrophobicContact CB-CB 4.33Å; F649-F652 HydrophobicContact CD1-CD1 4.49Å; F649-F652 PolarHBondContact O-N 3.37Å; Y650-F652 PolarHBondContact O-N 2.99Å; F652-E654 HydrophobicContact CE1-CB 4.27Å; F652-L658 HydrophobicContact CD2-CD2 4.33Å
653	E	69.6	Low	76.9	Confident	70 Å²	70	91.1 Å²	91.1	33%	0.327	46%	0.456	S	S	.	.			trans	-109.4	123.2	169.1	-71.5	-176.3	-172.7	0	0	109.7	R598 H655 R656	R598-E653 WeakPolarHBondContact CD-OE1 3.5Å; R598-E653 WeakPolarHBondContact CG-OE1 3.36Å; E653-H655 PolarHBondContact O-N 3.07Å; E653-R656 HydrophobicContact CB-CB 4.33Å; E653-R656 HydrophobicContact CB-CG 4.04Å; E653-R656 PolarHBondContact O-N 3.42Å; E653-R656 IonicContact OE1-CZ 2.73Å; E653-R656 IonicContact OE1-NE 3.41Å; E653-R656 IonicContact OE1-NH2 3.54Å; E653-R656 PolarHBondContact OE1-NH2 3.36Å; E653-R656 IonicContact OE2-CZ 3.19Å; E653-R656 IonicContact OE2-NE 3.97Å; E653-R656 PolarHBondContact OE2-NE 3.06Å; E653-R656 IonicContact OE2-NH2 3.53Å; E653-R656 PolarHBondContact OE2-NH2 3.48Å
654	E	66.1	Low	76.5	Confident	166 Å²	166	91.6 Å²	91.6	78%	0.776	46%	0.459	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.6	-11.9	-173.5	-170.6	175	-149.5	0	0	114.6	F652	F652-E654 HydrophobicContact CE1-CB 4.27Å
655	H	61.6	Low	76.1	Confident	180 Å²	180	95.4 Å²	95.4	83%	0.833	48%	0.479	S	S	*	.	T	Hydrogen-bonded Turn	trans	-118.3	4	179.9	-66	7.1	0	0	0	114	E653	E653-H655 PolarHBondContact O-N 3.07Å
656	R	65.4	Low	75.9	Confident	130 Å²	130	91.1 Å²	91.1	49%	0.491	47%	0.469	S	S	.	.	S	Bend	trans	-93.2	141.7	168.5	-69.5	-162.6	-161.3	-158.2	11.6	110.8	E653	E653-R656 HydrophobicContact CB-CB 4.33Å; E653-R656 HydrophobicContact CB-CG 4.04Å; E653-R656 PolarHBondContact O-N 3.42Å; E653-R656 IonicContact OE1-CZ 2.73Å; E653-R656 IonicContact OE1-NE 3.41Å; E653-R656 IonicContact OE1-NH2 3.54Å; E653-R656 PolarHBondContact OE1-NH2 3.36Å; E653-R656 IonicContact OE2-CZ 3.19Å; E653-R656 IonicContact OE2-NE 3.97Å; E653-R656 PolarHBondContact OE2-NE 3.06Å; E653-R656 IonicContact OE2-NH2 3.53Å; E653-R656 PolarHBondContact OE2-NH2 3.48Å
657	T	60.3	Low	76	Confident	126 Å²	126	90.6 Å²	90.6	77%	0.773	47%	0.465	S	S	*	.			trans	-72.9	130.6	163.7	46.3	0	0	0	0	109.4	E659	T657-E659 PolarHBondContact O-N 2.71Å; T657-E659 VanDerWaalsContact O-N 3.13Å
658	L	61.7	Low	75.9	Confident	120 Å²	120	91.5 Å²	91.5	63%	0.628	47%	0.47	S	S	*	.			trans	-61.8	112.9	177	-72.7	168.9	0	0	0	110.4	F652	F652-L658 HydrophobicContact CD2-CD2 4.33Å
659	E	66	Low	76	Confident	143 Å²	143	89.1 Å²	89.1	67%	0.668	46%	0.46	S	S	*	.			trans	-71.8	125.2	172.9	-65.8	-176.7	-180	0	0	109.2	T657 D661 D662 I665	T657-E659 PolarHBondContact O-N 2.71Å; T657-E659 VanDerWaalsContact O-N 3.13Å; E659-D661 PolarHBondContact O-N 3.13Å; E659-D662 HydrophobicContact CB-CB 4.47Å; E659-D662 WeakPolarHBondContact O-CB 3.43Å; E659-D662 PolarHBondContact O-N 2.74Å; E659-D662 VanDerWaalsContact O-N 3.17Å; E659-I665 WeakPolarHBondContact O-CD1 3.19Å
660	K	63.8	Low	76.3	Confident	198 Å²	198	84.1 Å²	84.1	86%	0.861	44%	0.441	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.6	-19	-173.4	-73	-174.6	175.6	-179.2	0	114.3
661	D	68.6	Low	76.6	Confident	165 Å²	165	83.2 Å²	83.2	88%	0.882	44%	0.437	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.2	9.5	179.1	-59	-40.2	0	0	0	112.3	E659 G663	E659-D661 PolarHBondContact O-N 3.13Å; D661-G663 PolarHBondContact O-N 3.46Å; D661-G663 VanDerWaalsContact O-N 3.09Å
662	D	78.2	Confident	77.5	Confident	43 Å²	43	82 Å²	82	23%	0.23	42%	0.424	C	S	.	.			trans	-66.9	106	172.6	-177.2	-2.5	0	0	0	110.6	K597 E659 D664 I665	K597-D662 IonicContact NZ-OD1 3.44Å; K597-D662 PolarHBondContact NZ-OD1 2.92Å; K597-D662 IonicContact NZ-OD2 2.76Å; K597-D662 PolarHBondContact NZ-OD2 2.9Å; E659-D662 HydrophobicContact CB-CB 4.47Å; E659-D662 WeakPolarHBondContact O-CB 3.43Å; E659-D662 PolarHBondContact O-N 2.74Å; E659-D662 VanDerWaalsContact O-N 3.17Å; D662-D664 PolarHBondContact O-N 2.85Å; D662-D664 VanDerWaalsContact O-N 3.11Å; D662-D664 WeakPolarHBondContact OD1-CB 3.43Å; D662-D664 PolarHBondContact OD1-N 3.47Å; D662-I665 HydrophobicContact CB-CD1 3.96Å; D662-I665 HydrophobicContact CB-CG1 4.12Å; D662-I665 WeakPolarHBondContact O-CB 3.45Å; D662-I665 WeakPolarHBondContact O-CG1 3.38Å; D662-I665 PolarHBondContact O-N 3.2Å; D662-I665 VanDerWaalsContact O-N 3.1Å
663	G	78.1	Confident	78.2	Confident	52 Å²	52	78.8 Å²	78.8	54%	0.536	41%	0.411	S	S	.	.	G	3₁₀ helix	trans	-59.4	-22	-178.5	0	0	0	0	0	114.4	D661 I665 G666	D661-G663 PolarHBondContact O-N 3.46Å; D661-G663 VanDerWaalsContact O-N 3.09Å; G663-I665 VanDerWaalsContact C-N 3.25Å; G663-I665 PolarHBondContact O-N 3.02Å; G663-G666 PolarHBondContact O-N 2.82Å; G663-G666 VanDerWaalsContact O-N 3.09Å
664	D	86.6	Confident	79.3	Confident	12 Å²	12	79.1 Å²	79.1	6%	0.064	41%	0.411	C	S	.	.	G	3₁₀ helix	trans	-73.6	-16.8	179.3	-62.1	-29.7	0	0	0	112.9	K597 Y604 G610 Y650 D662 G666 L667	K597-D664 WeakPolarHBondContact CD-OD2 3.17Å; K597-D664 WeakPolarHBondContact CE-OD2 3.45Å; K597-D664 IonicContact NZ-OD2 3.83Å; K597-D664 PolarHBondContact NZ-OD2 3.45Å; Y604-D664 VanDerWaalsContact CE1-OD2 3.31Å; Y604-D664 WeakPolarHBondContact CE1-OD2 3.23Å; Y604-D664 PolarHBondContact OH-OD1 2.88Å; Y604-D664 PolarHBondContact OH-OD2 2.97Å; G610-D664 WeakPolarHBondContact CA-OD1 3.41Å; Y650-D664 HydrophobicContact CD1-CB 4.04Å; Y650-D664 HydrophobicContact CE1-CB 4.02Å; D662-D664 PolarHBondContact O-N 2.85Å; D662-D664 VanDerWaalsContact O-N 3.11Å; D662-D664 WeakPolarHBondContact OD1-CB 3.43Å; D662-D664 PolarHBondContact OD1-N 3.47Å; D664-G666 PolarHBondContact O-N 2.91Å; D664-G666 VanDerWaalsContact O-N 3.16Å; D664-L667 WeakPolarHBondContact O-CB 3.49Å; D664-L667 PolarHBondContact O-N 3.33Å
665	I	85.3	Confident	80.6	Confident	93 Å²	93	71.3 Å²	71.3	48%	0.477	37%	0.374	S	S	.	.	G	3₁₀ helix	trans	-58.1	-27.6	168.4	-60.9	172.2	0	0	0	110.2	E659 D662 G663 L667 P669	E659-I665 WeakPolarHBondContact O-CD1 3.19Å; D662-I665 HydrophobicContact CB-CD1 3.96Å; D662-I665 HydrophobicContact CB-CG1 4.12Å; D662-I665 WeakPolarHBondContact O-CB 3.45Å; D662-I665 WeakPolarHBondContact O-CG1 3.38Å; D662-I665 PolarHBondContact O-N 3.2Å; D662-I665 VanDerWaalsContact O-N 3.1Å; G663-I665 VanDerWaalsContact C-N 3.25Å; G663-I665 PolarHBondContact O-N 3.02Å; I665-L667 VanDerWaalsContact C-N 3.32Å; I665-L667 PolarHBondContact O-N 2.98Å; I665-P669 WeakPolarHBondContact O-CD 3.36Å
666	G	86.9	Confident	82.2	Confident	36 Å²	36	62.8 Å²	62.8	37%	0.371	34%	0.335	S	S	.	.	G	3₁₀ helix	trans	-75.5	-9.4	173.6	0	0	0	0	0	115.4	G663 D664 A670	G663-G666 PolarHBondContact O-N 2.82Å; G663-G666 VanDerWaalsContact O-N 3.09Å; D664-G666 PolarHBondContact O-N 2.91Å; D664-G666 VanDerWaalsContact O-N 3.16Å; G666-A670 WeakPolarHBondContact O-CB 3.49Å; G666-A670 PolarHBondContact O-N 2.76Å
667	L	91.2	Very high	83.6	Confident	4 Å²	4	56.6 Å²	56.6	2%	0.021	31%	0.312	C	S	.	.	H	α-helix	trans	-59.9	-58.3	-172.2	176.4	56.8	0	0	0	112.9	L613 P614 F617 L647 Y650 D664 I665 A670 I671	L613-L667 HydrophobicContact CB-CD1 3.61Å; L613-L667 HydrophobicContact CB-CD2 4.39Å; L613-L667 HydrophobicContact CD1-CD2 3.93Å; P614-L667 HydrophobicContact CB-CD1 4.31Å; P614-L667 HydrophobicContact CG-CD1 3.76Å; F617-L667 HydrophobicContact CD2-CD1 4.21Å; F617-L667 HydrophobicContact CD2-CD2 4.46Å; F617-L667 HydrophobicContact CE2-CD2 4.23Å; L647-L667 HydrophobicContact CD2-CD2 4.42Å; Y650-L667 HydrophobicContact CD1-CD2 3.74Å; Y650-L667 HydrophobicContact CD2-CD2 4.09Å; Y650-L667 HydrophobicContact CE1-CD2 4.43Å; Y650-L667 HydrophobicContact CG-CD2 3.59Å; D664-L667 WeakPolarHBondContact O-CB 3.49Å; D664-L667 PolarHBondContact O-N 3.33Å; I665-L667 VanDerWaalsContact C-N 3.32Å; I665-L667 PolarHBondContact O-N 2.98Å; L667-A670 PolarHBondContact O-N 2.73Å; L667-I671 HydrophobicContact CD1-CD1 3.71Å; L667-I671 HydrophobicContact CD1-CG1 4.37Å; L667-I671 HydrophobicContact CG-CD1 4.17Å; L667-I671 WeakPolarHBondContact O-CG1 3.3Å; L667-I671 PolarHBondContact O-N 2.75Å
668	L	91.2	Very high	85.3	Confident	22 Å²	22	52.3 Å²	52.3	12%	0.115	29%	0.287	C	S	.	.	H	α-helix	trans	-65.1	-46.1	-177.5	-174.7	70	0	0	0	111.7	W643 F644 L647 L648 A670 I671 V672	W643-L668 HydrophobicContact CZ3-CD1 3.87Å; F644-L668 HydrophobicContact CD2-CD1 3.9Å; F644-L668 HydrophobicContact CD2-CD2 4.37Å; F644-L668 HydrophobicContact CE2-CD1 4.06Å; F644-L668 HydrophobicContact CE2-CD2 3.79Å; F644-L668 HydrophobicContact CE2-CG 4.21Å; F644-L668 HydrophobicContact CZ-CD2 3.92Å; L647-L668 HydrophobicContact CB-CD1 4.23Å; L648-L668 HydrophobicContact CD1-CD2 4Å; L668-A670 VanDerWaalsContact C-N 3.34Å; L668-A670 PolarHBondContact O-N 2.68Å; L668-I671 PolarHBondContact O-N 2.97Å; L668-V672 WeakPolarHBondContact O-CG2 3.38Å; L668-V672 PolarHBondContact O-N 3.06Å
669	P	90.6	Very high	86.9	Confident	37 Å²	37	46.8 Å²	46.8	24%	0.24	26%	0.258	C	S	.	.	H	α-helix	trans	-53	-45	169.1	-28.7	36	0	0	0	113.9	I665 I671 V672 E673 V713	I665-P669 WeakPolarHBondContact O-CD 3.36Å; P669-I671 VanDerWaalsContact C-N 3.31Å; P669-I671 PolarHBondContact O-N 2.91Å; P669-V672 PolarHBondContact O-N 2.88Å; P669-E673 WeakPolarHBondContact O-CB 3.35Å; P669-E673 PolarHBondContact O-N 3.28Å; P669-V713 HydrophobicContact CB-CG2 3.76Å
670	A	91.8	Very high	88.4	Confident	16 Å²	16	40 Å²	40	13%	0.132	23%	0.226	C	C	.	.	H	α-helix	trans	-66.8	-29.6	-178.9	0	0	0	0	0	113.2	P614 G666 L667 L668 K674	P614-A670 HydrophobicContact CB-CB 4.06Å; P614-A670 HydrophobicContact CG-CB 3.88Å; G666-A670 WeakPolarHBondContact O-CB 3.49Å; G666-A670 PolarHBondContact O-N 2.76Å; L667-A670 PolarHBondContact O-N 2.73Å; L668-A670 VanDerWaalsContact C-N 3.34Å; L668-A670 PolarHBondContact O-N 2.68Å; A670-K674 VanDerWaalsContact O-CB 3.23Å; A670-K674 WeakPolarHBondContact O-CB 3.2Å; A670-K674 WeakPolarHBondContact O-CD 3.43Å; A670-K674 WeakPolarHBondContact O-CG 3.49Å; A670-K674 PolarHBondContact O-N 3.38Å
671	I	93.9	Very high	90	Very high	1 Å²	1	31.1 Å²	31.1	1%	0.005	19%	0.189	C	C	.	.	H	α-helix	trans	-75.9	-43.6	174.5	-71.3	169.6	0	0	0	110.7	P614 F617 V621 W643 L647 L667 L668 P669 E673 K674 V675	P614-I671 HydrophobicContact CB-CG1 4.2Å; F617-I671 HydrophobicContact CB-CD1 3.99Å; F617-I671 HydrophobicContact CD2-CD1 4.46Å; V621-I671 HydrophobicContact CB-CG2 4.3Å; V621-I671 HydrophobicContact CG1-CG2 3.91Å; V621-I671 HydrophobicContact CG2-CG2 3.95Å; W643-I671 HydrophobicContact CE3-CG2 4.15Å; W643-I671 HydrophobicContact CH2-CG2 4.43Å; W643-I671 HydrophobicContact CZ3-CG2 3.73Å; L647-I671 HydrophobicContact CD1-CD1 3.46Å; L647-I671 VanDerWaalsContact CD1-CD1 3.46Å; L667-I671 HydrophobicContact CD1-CD1 3.71Å; L667-I671 HydrophobicContact CD1-CG1 4.37Å; L667-I671 HydrophobicContact CG-CD1 4.17Å; L667-I671 WeakPolarHBondContact O-CG1 3.3Å; L667-I671 PolarHBondContact O-N 2.75Å; L668-I671 PolarHBondContact O-N 2.97Å; P669-I671 VanDerWaalsContact C-N 3.31Å; P669-I671 PolarHBondContact O-N 2.91Å; I671-E673 VanDerWaalsContact C-N 3.3Å; I671-E673 PolarHBondContact O-N 2.75Å; I671-K674 PolarHBondContact O-N 3.36Å; I671-V675 HydrophobicContact CG2-CG2 4.47Å; I671-V675 WeakPolarHBondContact O-CB 3.24Å; I671-V675 PolarHBondContact O-N 3.32Å
672	V	93.1	Very high	91.3	Very high	1 Å²	1	25.3 Å²	25.3	1%	0.006	16%	0.159	C	C	.	.	I	π-helix	trans	-59.7	-43	173.7	177	0	0	0	0	110.4	F638 W643 L668 P669 L676 L677 L706 V713	F638-V672 HydrophobicContact CE2-CG2 4.49Å; W643-V672 HydrophobicContact CH2-CG2 4.2Å; L668-V672 WeakPolarHBondContact O-CG2 3.38Å; L668-V672 PolarHBondContact O-N 3.06Å; P669-V672 PolarHBondContact O-N 2.88Å; V672-L676 HydrophobicContact CG1-CB 4.1Å; V672-L676 HydrophobicContact CG1-CD2 3.96Å; V672-L676 WeakPolarHBondContact O-CA 3.4Å; V672-L676 WeakPolarHBondContact O-CB 3.47Å; V672-L676 PolarHBondContact O-N 3.23Å; V672-L677 PolarHBondContact O-N 2.91Å; V672-L706 HydrophobicContact CG1-CD1 4.18Å; V672-V713 HydrophobicContact CB-CG2 4.37Å; V672-V713 HydrophobicContact CG1-CG1 4.13Å; V672-V713 HydrophobicContact CG1-CG2 4.39Å
673	E	91.9	Very high	92.3	Very high	40 Å²	40	23.3 Å²	23.3	19%	0.187	15%	0.149	C	C	.	.	I	π-helix	trans	-58.5	-59.7	171.8	176.3	-176.6	107.9	0	0	112.1	P669 I671 V675 L677 V713 N718 Y720	P669-E673 WeakPolarHBondContact O-CB 3.35Å; P669-E673 PolarHBondContact O-N 3.28Å; I671-E673 VanDerWaalsContact C-N 3.3Å; I671-E673 PolarHBondContact O-N 2.75Å; E673-V675 PolarHBondContact O-N 3.07Å; E673-L677 WeakPolarHBondContact O-CB 3.42Å; E673-V713 HydrophobicContact CB-CG1 4.22Å; E673-N718 PolarHBondContact OE2-ND2 2.99Å; E673-Y720 HydrophobicContact CG-CD2 3.29Å; E673-Y720 HydrophobicContact CG-CE2 3.87Å; E673-Y720 HydrophobicContact CG-CG 3.8Å; E673-Y720 WeakPolarHBondContact OE1-CE2 3.41Å
674	K	92.3	Very high	93.2	Very high	76 Å²	76	20.9 Å²	20.9	33%	0.33	12%	0.124	S	C	.	.	I	π-helix	trans	-77.3	-23.8	-166.1	-68.9	164.4	-174.7	156.5	0	113.3	A670 I671 S678 Y720	A670-K674 VanDerWaalsContact O-CB 3.23Å; A670-K674 WeakPolarHBondContact O-CB 3.2Å; A670-K674 WeakPolarHBondContact O-CD 3.43Å; A670-K674 WeakPolarHBondContact O-CG 3.49Å; A670-K674 PolarHBondContact O-N 3.38Å; I671-K674 PolarHBondContact O-N 3.36Å; K674-S678 WeakPolarHBondContact O-CB 3.42Å; K674-S678 PolarHBondContact O-OG 2.99Å; K674-Y720 HydrophobicContact CG-CE2 4.02Å
675	V	95.1	Very high	93.7	Very high	2 Å²	2	22.9 Å²	22.9	1%	0.012	13%	0.133	C	C	.	.	I	π-helix	trans	-110.1	-49.6	-179.9	-173.6	0	0	0	0	112.6	N618 V621 R622 L625 I671 E673 S678 K679	N618-V675 HydrophobicContact CB-CG2 4.21Å; N618-V675 WeakPolarHBondContact OD1-CG2 3.22Å; V621-V675 HydrophobicContact CG1-CB 4.42Å; V621-V675 HydrophobicContact CG1-CG1 4.13Å; R622-V675 HydrophobicContact CG-CB 4.45Å; R622-V675 HydrophobicContact CG-CG1 3.5Å; R622-V675 VanDerWaalsContact CG-CG1 3.5Å; R622-V675 HydrophobicContact CG-CG2 4.11Å; L625-V675 HydrophobicContact CD1-CG1 3.67Å; I671-V675 HydrophobicContact CG2-CG2 4.47Å; I671-V675 WeakPolarHBondContact O-CB 3.24Å; I671-V675 PolarHBondContact O-N 3.32Å; E673-V675 PolarHBondContact O-N 3.07Å; V675-S678 PolarHBondContact O-OG 3.38Å; V675-S678 VanDerWaalsContact O-OG 3.09Å; V675-K679 VanDerWaalsContact O-CB 3.23Å; V675-K679 WeakPolarHBondContact O-CB 3.32Å; V675-K679 PolarHBondContact O-N 2.96Å; V675-K679 VanDerWaalsContact O-N 3.08Å
676	L	94.6	Very high	94.2	Very high	1 Å²	1	21 Å²	21	1%	0.005	12%	0.122	C	C	.	.	I	π-helix	trans	-74.2	-49.1	-173.8	-155	73.4	0	0	0	111.3	L625 W628 F638 V672 S678 K679 L680 F702 L706	L625-L676 HydrophobicContact CD1-CD1 4.13Å; L625-L676 HydrophobicContact CD2-CD1 4.39Å; W628-L676 HydrophobicContact CE3-CD1 4.16Å; W628-L676 HydrophobicContact CH2-CD1 3.61Å; W628-L676 HydrophobicContact CH2-CG 4.14Å; W628-L676 HydrophobicContact CZ2-CD1 4.24Å; W628-L676 HydrophobicContact CZ3-CD1 3.56Å; W628-L676 HydrophobicContact CZ3-CG 4.3Å; F638-L676 HydrophobicContact CD1-CD2 3.83Å; F638-L676 HydrophobicContact CD2-CD2 4.28Å; F638-L676 HydrophobicContact CE1-CD2 3.78Å; F638-L676 HydrophobicContact CE2-CD2 4.24Å; F638-L676 HydrophobicContact CG-CD2 4.08Å; F638-L676 HydrophobicContact CZ-CD2 3.99Å; V672-L676 HydrophobicContact CG1-CB 4.1Å; V672-L676 HydrophobicContact CG1-CD2 3.96Å; V672-L676 WeakPolarHBondContact O-CA 3.4Å; V672-L676 WeakPolarHBondContact O-CB 3.47Å; V672-L676 PolarHBondContact O-N 3.23Å; L676-S678 PolarHBondContact O-N 2.94Å; L676-K679 PolarHBondContact O-N 3.47Å; L676-L680 HydrophobicContact CG-CD1 4.34Å; L676-L680 WeakPolarHBondContact O-CB 3.33Å; L676-L680 WeakPolarHBondContact O-CD1 3.43Å; L676-L680 WeakPolarHBondContact O-CG 3.31Å; L676-L680 PolarHBondContact O-N 3.26Å; L676-F702 HydrophobicContact CD2-CE1 4.44Å; L676-F702 HydrophobicContact CD2-CZ 4.19Å; L676-L706 HydrophobicContact CD2-CD1 4.26Å
677	L	95.3	Very high	94.7	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	11%	0.107	C	C	.	.	I	π-helix	trans	-66.8	-36.1	178.4	-57.7	-174.8	0	0	0	112.7	V672 E673 L680 S681 L706 V713 L714 T721 L724	V672-L677 PolarHBondContact O-N 2.91Å; E673-L677 WeakPolarHBondContact O-CB 3.42Å; L677-L680 HydrophobicContact CD2-CD1 4.19Å; L677-L680 PolarHBondContact O-N 3.32Å; L677-S681 WeakPolarHBondContact O-CB 3.38Å; L677-S681 PolarHBondContact O-N 3.03Å; L677-S681 PolarHBondContact O-OG 3.16Å; L677-L706 HydrophobicContact CD2-CD2 3.63Å; L677-V713 HydrophobicContact CD1-CG1 3.78Å; L677-V713 HydrophobicContact CG-CG1 4.23Å; L677-L714 HydrophobicContact CD1-CD1 4.37Å; L677-L714 HydrophobicContact CD2-CD1 3.69Å; L677-T721 WeakPolarHBondContact CD1-OG1 3.38Å; L677-L724 HydrophobicContact CD2-CD2 4.22Å
678	S	95	Very high	95	Very high	36 Å²	36	19.8 Å²	19.8	25%	0.252	11%	0.107	S	C	.	.	H	α-helix	trans	-66.1	-42.9	176.5	66	0	0	0	0	111.6	K674 V675 L676 S681 V682	K674-S678 WeakPolarHBondContact O-CB 3.42Å; K674-S678 PolarHBondContact O-OG 2.99Å; V675-S678 PolarHBondContact O-OG 3.38Å; V675-S678 VanDerWaalsContact O-OG 3.09Å; L676-S678 PolarHBondContact O-N 2.94Å; S678-S681 WeakPolarHBondContact O-CB 3.35Å; S678-S681 PolarHBondContact O-N 3.45Å; S678-V682 PolarHBondContact O-N 2.91Å
679	K	96	Very high	95.3	Very high	4 Å²	4	19.1 Å²	19.1	2%	0.017	10%	0.104	C	C	.	.	H	α-helix	trans	-64.8	-43.5	173.4	-165.4	177.7	-174.7	78.3	0	112.4	E459 H463 L625 I626 W628 V675 L676 S681 V682 L683	E459-K679 IonicContact OE1-NZ 3.18Å; E459-K679 PolarHBondContact OE1-NZ 3.2Å; H463-K679 PolarHBondContact NE2-NZ 3.3Å; L625-K679 HydrophobicContact CB-CD 4.33Å; L625-K679 WeakPolarHBondContact O-CE 3.39Å; L625-K679 PolarHBondContact O-NZ 3.02Å; I626-K679 PolarHBondContact O-NZ 2.83Å; W628-K679 HydrophobicContact CE3-CD 4.16Å; W628-K679 WeakPolarHBondContact O-CE 3.5Å; V675-K679 VanDerWaalsContact O-CB 3.23Å; V675-K679 WeakPolarHBondContact O-CB 3.32Å; V675-K679 PolarHBondContact O-N 2.96Å; V675-K679 VanDerWaalsContact O-N 3.08Å; L676-K679 PolarHBondContact O-N 3.47Å; K679-S681 VanDerWaalsContact C-N 3.26Å; K679-S681 PolarHBondContact O-N 2.9Å; K679-V682 PolarHBondContact O-N 2.81Å; K679-L683 WeakPolarHBondContact O-CG 3.45Å; K679-L683 PolarHBondContact O-N 3.49Å
680	L	96.8	Very high	95.6	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-58.2	-37.4	173.3	-74.2	165.6	0	0	0	112.1	W628 P630 L676 L677 L683 A684 L699 F702 L706 L724	W628-L680 HydrophobicContact CH2-CD2 4.07Å; W628-L680 HydrophobicContact CH2-CG 4.44Å; W628-L680 HydrophobicContact CZ3-CD2 4.31Å; W628-L680 HydrophobicContact CZ3-CG 4.47Å; P630-L680 HydrophobicContact CG-CD2 3.77Å; L676-L680 HydrophobicContact CG-CD1 4.34Å; L676-L680 WeakPolarHBondContact O-CB 3.33Å; L676-L680 WeakPolarHBondContact O-CD1 3.43Å; L676-L680 WeakPolarHBondContact O-CG 3.31Å; L676-L680 PolarHBondContact O-N 3.26Å; L677-L680 HydrophobicContact CD2-CD1 4.19Å; L677-L680 PolarHBondContact O-N 3.32Å; L680-L683 PolarHBondContact O-N 2.86Å; L680-A684 VanDerWaalsContact O-CB 3.29Å; L680-A684 WeakPolarHBondContact O-CB 3.37Å; L680-A684 PolarHBondContact O-N 3.07Å; L680-L699 HydrophobicContact CD2-CD1 4.28Å; L680-F702 HydrophobicContact CD1-CD1 4.33Å; L680-F702 HydrophobicContact CD1-CE1 3.87Å; L680-F702 HydrophobicContact CD2-CD1 4.19Å; L680-F702 HydrophobicContact CD2-CE1 4.19Å; L680-L706 HydrophobicContact CD1-CD2 4.17Å; L680-L724 HydrophobicContact CB-CD1 3.98Å; L680-L724 HydrophobicContact CB-CD2 4.24Å
681	S	97.3	Very high	95.8	Very high	13 Å²	13	16.8 Å²	16.8	9%	0.091	9%	0.087	C	C	.	.	H	α-helix	trans	-64.3	-44.3	177.5	-58.1	0	0	0	0	111.5	L677 S678 K679 A684 E685 L724	L677-S681 WeakPolarHBondContact O-CB 3.38Å; L677-S681 PolarHBondContact O-N 3.03Å; L677-S681 PolarHBondContact O-OG 3.16Å; S678-S681 WeakPolarHBondContact O-CB 3.35Å; S678-S681 PolarHBondContact O-N 3.45Å; K679-S681 VanDerWaalsContact C-N 3.26Å; K679-S681 PolarHBondContact O-N 2.9Å; S681-A684 PolarHBondContact O-N 3.34Å; S681-E685 WeakPolarHBondContact O-CB 3.39Å; S681-E685 PolarHBondContact O-N 3.25Å; S681-L724 WeakPolarHBondContact OG-CA 3.22Å; S681-L724 WeakPolarHBondContact OG-CB 3.26Å; S681-L724 PolarHBondContact OG-N 2.95Å
682	V	96.9	Very high	95.8	Very high	42 Å²	42	16.7 Å²	16.7	26%	0.255	9%	0.087	S	C	.	.	H	α-helix	trans	-62.4	-44.2	174.5	176.7	0	0	0	0	111.2	H463 S678 K679 E685 Q686	H463-V682 HydrophobicContact CB-CG1 4.23Å; S678-V682 PolarHBondContact O-N 2.91Å; K679-V682 PolarHBondContact O-N 2.81Å; V682-E685 PolarHBondContact O-N 3.36Å; V682-Q686 WeakPolarHBondContact O-CB 3.21Å; V682-Q686 WeakPolarHBondContact O-CG 3.28Å; V682-Q686 PolarHBondContact O-N 2.73Å
683	L	97.8	Very high	95.9	Very high	2 Å²	2	18.2 Å²	18.2	1%	0.01	10%	0.097	C	C	.	.	H	α-helix	trans	-63.3	-42.1	176.8	-66.3	178.3	0	0	0	111.7	L466 L631 K679 L680 V687 W688	L466-L683 HydrophobicContact CD1-CD2 4.03Å; L631-L683 HydrophobicContact CD1-CB 4.34Å; K679-L683 WeakPolarHBondContact O-CG 3.45Å; K679-L683 PolarHBondContact O-N 3.49Å; L680-L683 PolarHBondContact O-N 2.86Å; L683-V687 HydrophobicContact CD2-CB 4.13Å; L683-V687 HydrophobicContact CD2-CG2 3.75Å; L683-V687 CarbonylContact O-C 3.22Å; L683-V687 WeakPolarHBondContact O-CA 3.4Å; L683-V687 WeakPolarHBondContact O-CB 3.47Å; L683-V687 PolarHBondContact O-N 2.88Å; L683-W688 PolarHBondContact O-N 3.3Å
684	A	97.9	Very high	96	Very high	1 Å²	1	18.1 Å²	18.1	1%	0.008	10%	0.101	C	C	.	.	H	α-helix	trans	-67.2	-35.4	177.4	0	0	0	0	0	113.3	L680 S681 L724 I728 R731	L680-A684 VanDerWaalsContact O-CB 3.29Å; L680-A684 WeakPolarHBondContact O-CB 3.37Å; L680-A684 PolarHBondContact O-N 3.07Å; S681-A684 PolarHBondContact O-N 3.34Å; A684-L724 HydrophobicContact CB-CD1 4.07Å; A684-I728 HydrophobicContact CB-CG1 3.91Å; A684-R731 VanDerWaalsContact O-CG 3.31Å; A684-R731 WeakPolarHBondContact O-CG 3.41Å
685	E	97.1	Very high	96.1	Very high	54 Å²	54	15.9 Å²	15.9	25%	0.252	9%	0.092	S	C	.	.	H	α-helix	trans	-81	-30.5	-179.3	-159.2	-105.1	143.2	0	0	113.1	S681 V682 R734	S681-E685 WeakPolarHBondContact O-CB 3.39Å; S681-E685 PolarHBondContact O-N 3.25Å; V682-E685 PolarHBondContact O-N 3.36Å; E685-R734 IonicContact OE1-CZ 3.24Å; E685-R734 IonicContact OE1-NH1 3.39Å; E685-R734 IonicContact OE1-NH2 3.3Å; E685-R734 PolarHBondContact OE1-NH2 3.39Å
686	Q	96	Very high	96.2	Very high	52 Å²	52	15.8 Å²	15.8	24%	0.243	9%	0.091	C	C	.	.	H	α-helix	trans	-125.6	-16.9	-163.8	-49.8	-171.4	12.8	0	0	115.7	R467 V682	R467-Q686 HydrophobicContact CB-CB 4.44Å; R467-Q686 HydrophobicContact CG-CB 4.22Å; V682-Q686 WeakPolarHBondContact O-CB 3.21Å; V682-Q686 WeakPolarHBondContact O-CG 3.28Å; V682-Q686 PolarHBondContact O-N 2.73Å
687	V	97.2	Very high	96.3	Very high	12 Å²	12	18.6 Å²	18.6	7%	0.073	11%	0.108	C	C	.	.	T	Hydrogen-bonded Turn	trans	-122.6	-40.1	-174.5	-171.9	0	0	0	0	112.3	L466 A470 L631 L683	L466-V687 HydrophobicContact CB-CG1 4.13Å; L466-V687 HydrophobicContact CB-CG2 3.71Å; A470-V687 HydrophobicContact CB-CG1 4.4Å; A470-V687 WeakPolarHBondContact CB-O 3.3Å; L631-V687 HydrophobicContact CD1-CB 4.06Å; L631-V687 HydrophobicContact CD1-CG1 3.91Å; L683-V687 HydrophobicContact CD2-CB 4.13Å; L683-V687 HydrophobicContact CD2-CG2 3.75Å; L683-V687 CarbonylContact O-C 3.22Å; L683-V687 WeakPolarHBondContact O-CA 3.4Å; L683-V687 WeakPolarHBondContact O-CB 3.47Å; L683-V687 PolarHBondContact O-N 2.88Å
688	W	97.8	Very high	96.3	Very high	3 Å²	3	21.7 Å²	21.7	1%	0.011	12%	0.12	C	C	.	.			trans	-63.7	137.8	178.8	173.8	51	0	0	0	112.2	L631 L683 P690 T696 L699 I728 R731 T732 W778	L631-W688 HydrophobicContact CD1-CB 4.04Å; L631-W688 HydrophobicContact CD2-CB 4.46Å; L683-W688 PolarHBondContact O-N 3.3Å; W688-P690 HydrophobicContact CD2-CG 4.37Å; W688-P690 HydrophobicContact CE3-CG 4.22Å; W688-P690 HydrophobicContact CH2-CB 3.99Å; W688-P690 HydrophobicContact CH2-CG 3.76Å; W688-P690 HydrophobicContact CZ2-CB 3.84Å; W688-P690 HydrophobicContact CZ2-CG 3.9Å; W688-P690 HydrophobicContact CZ3-CG 3.92Å; W688-T696 HydrophobicContact CZ2-CG2 4.04Å; W688-T696 PolarHBondContact NE1-OG1 3.49Å; W688-L699 HydrophobicContact CB-CD2 4.36Å; W688-L699 HydrophobicContact CD2-CD2 3.98Å; W688-L699 HydrophobicContact CE3-CD2 4.43Å; W688-L699 HydrophobicContact CG-CD2 3.91Å; W688-I728 HydrophobicContact CH2-CG2 4.06Å; W688-I728 HydrophobicContact CZ3-CB 4.29Å; W688-I728 HydrophobicContact CZ3-CG1 4.47Å; W688-I728 HydrophobicContact CZ3-CG2 3.84Å; W688-R731 HydrophobicContact CE3-CB 4.19Å; W688-R731 HydrophobicContact CE3-CG 3.73Å; W688-R731 HydrophobicContact CZ3-CB 4.15Å; W688-R731 HydrophobicContact CZ3-CG 4.01Å; W688-R731 PolarHBondContact O-NE 2.97Å; W688-R731 PolarHBondContact O-NH2 2.91Å; W688-T732 WeakPolarHBondContact CH2-OG1 3.34Å; W688-W778 AromaticContact CH2-CE2 3.96Å; W688-W778 AromaticContact CH2-CZ2 3.74Å; W688-W778 HydrophobicContact CH2-CZ2 3.74Å; W688-W778 AromaticContact CH2-NE1 3.74Å; W688-W778 AromaticContact CZ2-CZ2 3.77Å; W688-W778 HydrophobicContact CZ2-CZ2 3.77Å; W688-W778 AromaticContact CZ2-NE1 3.76Å; W688-W778 HydrophobicContact CZ3-CZ2 4.24Å
689	D	96.3	Very high	96.4	Very high	8 Å²	8	20 Å²	20	4%	0.043	11%	0.108	C	C	.	.			trans	-113.4	110.2	173.3	-177.9	6.6	0	0	0	111.2	R477 L691 S692	R477-D689 IonicContact CZ-OD2 2.67Å; R477-D689 VanDerWaalsContact NH1-CG 3.34Å; R477-D689 IonicContact NH1-OD1 2.71Å; R477-D689 PolarHBondContact NH1-OD1 2.87Å; R477-D689 IonicContact NH1-OD2 3.64Å; R477-D689 PolarHBondContact NH1-OD2 3.25Å; R477-D689 IonicContact NH2-OD2 3.54Å; R477-D689 PolarHBondContact NH2-OD2 3.49Å; D689-L691 PolarHBondContact O-N 2.86Å; D689-L691 VanDerWaalsContact O-N 3.11Å; D689-L691 WeakPolarHBondContact OD1-CB 3.32Å; D689-L691 PolarHBondContact OD1-N 2.81Å; D689-S692 WeakPolarHBondContact O-CB 3.3Å; D689-S692 PolarHBondContact O-N 3.31Å
690	P	97.1	Very high	96.4	Very high	1 Å²	1	20.2 Å²	20.2	1%	0.006	11%	0.11	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-19.7	176.5	-21.5	31.5	0	0	0	114.1	W688 S692 R731 T735 L771 N774	W688-P690 HydrophobicContact CD2-CG 4.37Å; W688-P690 HydrophobicContact CE3-CG 4.22Å; W688-P690 HydrophobicContact CH2-CB 3.99Å; W688-P690 HydrophobicContact CH2-CG 3.76Å; W688-P690 HydrophobicContact CZ2-CB 3.84Å; W688-P690 HydrophobicContact CZ2-CG 3.9Å; W688-P690 HydrophobicContact CZ3-CG 3.92Å; P690-S692 VanDerWaalsContact C-N 3.34Å; P690-R731 HydrophobicContact CG-CG 3.98Å; P690-T735 HydrophobicContact CB-CG2 4.25Å; P690-T735 HydrophobicContact CG-CG2 4.45Å; P690-L771 HydrophobicContact CB-CD1 3.88Å; P690-L771 WeakPolarHBondContact O-CD1 3.3Å; P690-N774 WeakPolarHBondContact O-CB 3.4Å; P690-N774 PolarHBondContact O-ND2 2.91Å
691	L	95.4	Very high	96.3	Very high	3 Å²	3	22.9 Å²	22.9	2%	0.016	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.4	-8.5	173.3	-76.4	163.2	0	0	0	113.2	D689 T735 D739 K770 L771	D689-L691 PolarHBondContact O-N 2.86Å; D689-L691 VanDerWaalsContact O-N 3.11Å; D689-L691 WeakPolarHBondContact OD1-CB 3.32Å; D689-L691 PolarHBondContact OD1-N 2.81Å; L691-T735 HydrophobicContact CD1-CG2 3.98Å; L691-T735 HydrophobicContact CG-CG2 3.97Å; L691-D739 HydrophobicContact CD1-CB 3.85Å; L691-K770 VanDerWaalsContact O-CE 3.28Å; L691-K770 WeakPolarHBondContact O-CE 3.32Å; L691-K770 PolarHBondContact O-NZ 3.13Å; L691-L771 HydrophobicContact CD2-CB 3.92Å; L691-L771 HydrophobicContact CD2-CD1 4.26Å; L691-L771 HydrophobicContact CD2-CD2 4.28Å; L691-L771 HydrophobicContact CD2-CG 4.38Å; L691-L771 HydrophobicContact CG-CD1 4.36Å
692	S	95.6	Very high	96.1	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	13%	0.126	C	C	.	.			trans	-92.9	109.4	172	-172.2	0	0	0	0	110.7	D551 D689 P690 S694 T696	D551-S692 VanDerWaalsContact OD1-CB 3.24Å; D551-S692 WeakPolarHBondContact OD1-CB 3.32Å; D551-S692 PolarHBondContact OD1-OG 2.95Å; D551-S692 PolarHBondContact OD2-OG 2.98Å; D689-S692 WeakPolarHBondContact O-CB 3.3Å; D689-S692 PolarHBondContact O-N 3.31Å; P690-S692 VanDerWaalsContact C-N 3.34Å; S692-S694 VanDerWaalsContact C-N 3.27Å; S692-S694 PolarHBondContact O-N 2.81Å; S692-S694 PolarHBondContact OG-OG 3.04Å; S692-T696 WeakPolarHBondContact O-CB 3.46Å; S692-T696 PolarHBondContact O-N 3.48Å; S692-T696 PolarHBondContact O-OG1 3.24Å
693	S	94.5	Very high	96	Very high	32 Å²	32	20.8 Å²	20.8	22%	0.224	12%	0.115	C	C	.	.	H	α-helix	trans	-67.2	-31	176.2	-56.5	0	0	0	0	111.7	S549 T696 T697 K770 N774	S549-S693 PolarHBondContact OG-N 3.46Å; S693-T696 PolarHBondContact O-N 3.17Å; S693-T697 WeakPolarHBondContact O-CB 3.45Å; S693-T697 PolarHBondContact O-N 2.91Å; S693-T697 PolarHBondContact O-OG1 3.26Å; S693-K770 WeakPolarHBondContact OG-CG 3.34Å; S693-N774 WeakPolarHBondContact CB-OD1 3.39Å; S693-N774 PolarHBondContact N-ND2 3.43Å; S693-N774 PolarHBondContact OG-ND2 3.23Å; S693-N774 PolarHBondContact OG-OD1 2.96Å
694	S	93.7	Very high	95.8	Very high	39 Å²	39	23.4 Å²	23.4	27%	0.273	13%	0.126	S	C	.	.	H	α-helix	trans	-65.7	-48	179.9	76	0	0	0	0	111.7	D551 S692 R698	D551-S694 PolarHBondContact OD2-OG 3.45Å; S692-S694 VanDerWaalsContact C-N 3.27Å; S692-S694 PolarHBondContact O-N 2.81Å; S692-S694 PolarHBondContact OG-OG 3.04Å; S694-R698 PolarHBondContact O-N 3.02Å; S694-R698 PolarHBondContact OG-NH2 2.92Å
695	Q	95.6	Very high	95.4	Very high	29 Å²	29	29.8 Å²	29.8	14%	0.136	15%	0.15	C	C	.	.	H	α-helix	trans	-67.1	-42.3	175.8	-59.9	178.6	15.8	0	0	111.9	L631 R698 L699	L631-Q695 HydrophobicContact CD2-CB 4.49Å; Q695-R698 PolarHBondContact O-N 3.41Å; Q695-L699 WeakPolarHBondContact O-CB 3.18Å; Q695-L699 PolarHBondContact O-N 3.03Å
696	T	97.2	Very high	95.2	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-64	-47.5	-177.8	-55.4	0	0	0	0	111.4	W688 S692 S693 R698 L699 V700 N774	W688-T696 HydrophobicContact CZ2-CG2 4.04Å; W688-T696 PolarHBondContact NE1-OG1 3.49Å; S692-T696 WeakPolarHBondContact O-CB 3.46Å; S692-T696 PolarHBondContact O-N 3.48Å; S692-T696 PolarHBondContact O-OG1 3.24Å; S693-T696 PolarHBondContact O-N 3.17Å; T696-R698 PolarHBondContact O-N 3.32Å; T696-L699 PolarHBondContact O-N 3.28Å; T696-V700 HydrophobicContact CG2-CG2 4.29Å; T696-V700 WeakPolarHBondContact O-CB 3.21Å; T696-V700 WeakPolarHBondContact O-CG2 3.45Å; T696-V700 PolarHBondContact O-N 3.48Å; T696-N774 HydrophobicContact CG2-CB 4.14Å; T696-N774 WeakPolarHBondContact CG2-O 3.45Å
697	T	96.1	Very high	94.9	Very high	60 Å²	60	26.6 Å²	26.6	37%	0.368	14%	0.142	S	C	.	.	H	α-helix	trans	-62.1	-42.3	176.6	-55.8	0	0	0	0	111.4	S693 S701 Q777	S693-T697 WeakPolarHBondContact O-CB 3.45Å; S693-T697 PolarHBondContact O-N 2.91Å; S693-T697 PolarHBondContact O-OG1 3.26Å; T697-S701 VanDerWaalsContact O-CB 3.26Å; T697-S701 WeakPolarHBondContact O-CB 3.4Å; T697-S701 PolarHBondContact O-N 2.91Å; T697-S701 PolarHBondContact O-OG 3.31Å; T697-Q777 PolarHBondContact OG1-OE1 3.44Å
698	R	94.9	Very high	94.5	Very high	64 Å²	64	33.3 Å²	33.3	24%	0.242	17%	0.172	C	C	.	.	H	α-helix	trans	-62.2	-44.5	175.8	-76.9	-169.2	-69	-88.8	-7.3	112.8	L631 E633 S694 Q695 T696 F702	L631-R698 VanDerWaalsContact O-CZ 3.26Å; L631-R698 PolarHBondContact O-NE 3.48Å; L631-R698 PolarHBondContact O-NH2 3.17Å; E633-R698 WeakPolarHBondContact OE1-CD 3.49Å; E633-R698 IonicContact OE1-CZ 2.71Å; E633-R698 IonicContact OE1-NE 3.66Å; E633-R698 IonicContact OE1-NH1 2.98Å; E633-R698 PolarHBondContact OE1-NH1 3.32Å; S694-R698 PolarHBondContact O-N 3.02Å; S694-R698 PolarHBondContact OG-NH2 2.92Å; Q695-R698 PolarHBondContact O-N 3.41Å; T696-R698 PolarHBondContact O-N 3.32Å; R698-F702 WeakPolarHBondContact O-CB 3.3Å; R698-F702 PolarHBondContact O-N 3.34Å
699	L	96.4	Very high	94	Very high	1 Å²	1	35.6 Å²	35.6	1%	0.005	20%	0.197	C	C	.	.	H	α-helix	trans	-65.8	-45.5	179.3	-174.5	58.9	0	0	0	112	L631 L680 W688 Q695 T696 F702 I703 W778	L631-L699 HydrophobicContact CD2-CB 3.81Å; L631-L699 HydrophobicContact CD2-CD1 4.1Å; L631-L699 HydrophobicContact CD2-CD2 4.13Å; L631-L699 HydrophobicContact CD2-CG 4.22Å; L680-L699 HydrophobicContact CD2-CD1 4.28Å; W688-L699 HydrophobicContact CB-CD2 4.36Å; W688-L699 HydrophobicContact CD2-CD2 3.98Å; W688-L699 HydrophobicContact CE3-CD2 4.43Å; W688-L699 HydrophobicContact CG-CD2 3.91Å; Q695-L699 WeakPolarHBondContact O-CB 3.18Å; Q695-L699 PolarHBondContact O-N 3.03Å; T696-L699 PolarHBondContact O-N 3.28Å; L699-F702 PolarHBondContact O-N 3.37Å; L699-I703 HydrophobicContact CD1-CD1 3.93Å; L699-I703 HydrophobicContact CD1-CG1 4.44Å; L699-I703 HydrophobicContact CG-CD1 3.95Å; L699-I703 WeakPolarHBondContact O-CG1 3.48Å; L699-I703 PolarHBondContact O-N 3.19Å; L699-W778 HydrophobicContact CD2-CH2 3.72Å; L699-W778 HydrophobicContact CD2-CZ2 3.99Å; L699-W778 HydrophobicContact CG-CH2 3.85Å; L699-W778 HydrophobicContact CG-CZ2 4.39Å
700	V	96.7	Very high	93.5	Very high	8 Å²	8	36.8 Å²	36.8	5%	0.048	20%	0.201	C	C	.	.	H	α-helix	trans	-60.9	-49.9	175.5	163.6	0	0	0	0	111	T696 F702 I703 H704 Q777 W778 I781	T696-V700 HydrophobicContact CG2-CG2 4.29Å; T696-V700 WeakPolarHBondContact O-CB 3.21Å; T696-V700 WeakPolarHBondContact O-CG2 3.45Å; T696-V700 PolarHBondContact O-N 3.48Å; V700-F702 PolarHBondContact O-N 2.84Å; V700-I703 PolarHBondContact O-N 3.45Å; V700-I703 VanDerWaalsContact O-N 3.17Å; V700-H704 PolarHBondContact O-CD2 3.46Å; V700-H704 VanDerWaalsContact O-CD2 3.24Å; V700-H704 PolarHBondContact O-N 2.89Å; V700-Q777 HydrophobicContact CG1-CB 4.37Å; V700-Q777 VanDerWaalsContact CG1-O 3.22Å; V700-Q777 WeakPolarHBondContact CG1-O 3.44Å; V700-Q777 HydrophobicContact CG2-CB 4.18Å; V700-W778 HydrophobicContact CG2-CD2 3.7Å; V700-W778 HydrophobicContact CG2-CE3 3.92Å; V700-W778 HydrophobicContact CG2-CG 4.24Å; V700-W778 HydrophobicContact CG2-CH2 4.13Å; V700-W778 HydrophobicContact CG2-CZ2 3.91Å; V700-W778 HydrophobicContact CG2-CZ3 4.11Å; V700-I781 HydrophobicContact CG1-CD1 4.13Å
701	S	94.6	Very high	92.9	Very high	57 Å²	57	40.5 Å²	40.5	40%	0.399	23%	0.225	S	C	.	.	H	α-helix	trans	-67.4	-20.5	177.5	-60.2	0	0	0	0	113.9	T697 R705	T697-S701 VanDerWaalsContact O-CB 3.26Å; T697-S701 WeakPolarHBondContact O-CB 3.4Å; T697-S701 PolarHBondContact O-N 2.91Å; T697-S701 PolarHBondContact O-OG 3.31Å; S701-R705 WeakPolarHBondContact O-CG 3.36Å; S701-R705 PolarHBondContact O-NE 3.28Å; S701-R705 VanDerWaalsContact O-NE 3.15Å
702	F	93.9	Very high	92.3	Very high	9 Å²	9	45 Å²	45	4%	0.039	25%	0.253	C	S	.	.	H	α-helix	trans	-75.7	-47.4	169.1	-173.3	-86.5	0	0	0	111	W628 P630 F638 L676 L680 R698 L699 V700 R705 L706	W628-F702 HydrophobicContact CH2-CE1 4.1Å; W628-F702 HydrophobicContact CH2-CE2 4.18Å; W628-F702 AromaticContact CH2-CZ 3.69Å; W628-F702 HydrophobicContact CH2-CZ 3.69Å; W628-F702 HydrophobicContact CZ2-CE1 4.42Å; W628-F702 AromaticContact CZ2-CE2 3.68Å; W628-F702 HydrophobicContact CZ2-CE2 3.68Å; W628-F702 AromaticContact CZ2-CZ 3.61Å; W628-F702 HydrophobicContact CZ2-CZ 3.61Å; P630-F702 HydrophobicContact CB-CD2 4Å; P630-F702 HydrophobicContact CB-CE2 4.48Å; P630-F702 HydrophobicContact CB-CG 4.17Å; F638-F702 HydrophobicContact CD1-CE2 4.06Å; F638-F702 AromaticContact CD1-CZ 3.73Å; F638-F702 HydrophobicContact CD1-CZ 3.73Å; F638-F702 HydrophobicContact CE1-CE2 4.2Å; F638-F702 AromaticContact CE1-CZ 3.71Å; F638-F702 HydrophobicContact CE1-CZ 3.71Å; L676-F702 HydrophobicContact CD2-CE1 4.44Å; L676-F702 HydrophobicContact CD2-CZ 4.19Å; L680-F702 HydrophobicContact CD1-CD1 4.33Å; L680-F702 HydrophobicContact CD1-CE1 3.87Å; L680-F702 HydrophobicContact CD2-CD1 4.19Å; L680-F702 HydrophobicContact CD2-CE1 4.19Å; R698-F702 WeakPolarHBondContact O-CB 3.3Å; R698-F702 PolarHBondContact O-N 3.34Å; L699-F702 PolarHBondContact O-N 3.37Å; V700-F702 PolarHBondContact O-N 2.84Å; F702-R705 PolarHBondContact O-N 3.33Å; F702-L706 HydrophobicContact CE1-CD2 4.2Å; F702-L706 WeakPolarHBondContact O-CB 3.4Å; F702-L706 PolarHBondContact O-N 2.92Å
703	I	94.3	Very high	91.8	Very high	2 Å²	2	45.1 Å²	45.1	1%	0.01	25%	0.254	C	S	.	.	H	α-helix	trans	-67.3	-37.2	-177.9	-68.6	168	0	0	0	111.7	L699 V700 L706 A707 L714 L724 I728 W778 I781	L699-I703 HydrophobicContact CD1-CD1 3.93Å; L699-I703 HydrophobicContact CD1-CG1 4.44Å; L699-I703 HydrophobicContact CG-CD1 3.95Å; L699-I703 WeakPolarHBondContact O-CG1 3.48Å; L699-I703 PolarHBondContact O-N 3.19Å; V700-I703 PolarHBondContact O-N 3.45Å; V700-I703 VanDerWaalsContact O-N 3.17Å; I703-L706 PolarHBondContact O-N 2.92Å; I703-A707 WeakPolarHBondContact O-CB 3.39Å; I703-A707 PolarHBondContact O-N 2.98Å; I703-L714 HydrophobicContact CG2-CD2 3.94Å; I703-L724 HydrophobicContact CD1-CD2 4.39Å; I703-I728 HydrophobicContact CD1-CD1 4.12Å; I703-W778 HydrophobicContact CD1-CH2 3.89Å; I703-W778 HydrophobicContact CD1-CZ3 3.68Å; I703-I781 HydrophobicContact CB-CD1 4.11Å; I703-I781 HydrophobicContact CG2-CD1 3.83Å; I703-I781 HydrophobicContact CG2-CG1 4.26Å; I703-I781 HydrophobicContact CG2-CG2 4Å
704	H	92.8	Very high	91.4	Very high	56 Å²	56	45.1 Å²	45.1	26%	0.259	25%	0.251	S	S	.	.	H	α-helix	trans	-60.7	-48.2	171.6	-78.5	-68.6	0	0	0	112.4	V700 L706 A707 E708	V700-H704 PolarHBondContact O-CD2 3.46Å; V700-H704 VanDerWaalsContact O-CD2 3.24Å; V700-H704 PolarHBondContact O-N 2.89Å; H704-L706 VanDerWaalsContact C-N 3.26Å; H704-L706 PolarHBondContact O-N 3.15Å; H704-A707 WeakPolarHBondContact O-CB 3.32Å; H704-A707 PolarHBondContact O-N 3.18Å; H704-A707 VanDerWaalsContact O-N 3.08Å; H704-E708 WeakPolarHBondContact O-CG 3.44Å; H704-E708 PolarHBondContact O-N 3.4Å
705	R	91.6	Very high	91	Very high	135 Å²	135	46.8 Å²	46.8	51%	0.509	26%	0.255	S	S	.	.	H	α-helix	trans	-62.1	-35.1	176.7	-72.4	-174.4	-62.7	138.9	-1	112.4	S701 F702 E708 G709	S701-R705 WeakPolarHBondContact O-CG 3.36Å; S701-R705 PolarHBondContact O-NE 3.28Å; S701-R705 VanDerWaalsContact O-NE 3.15Å; F702-R705 PolarHBondContact O-N 3.33Å; R705-E708 PolarHBondContact O-N 2.91Å; R705-G709 PolarHBondContact O-N 3.29Å
706	L	90.9	Very high	90.4	Very high	3 Å²	3	48.1 Å²	48.1	2%	0.016	28%	0.276	C	S	.	.	H	α-helix	trans	-68.4	-36.4	174.6	-165.7	67.8	0	0	0	111.8	F638 V672 L676 L677 L680 F702 I703 H704 Y710 L714	F638-L706 HydrophobicContact CE1-CD1 4.18Å; F638-L706 HydrophobicContact CZ-CD1 3.97Å; V672-L706 HydrophobicContact CG1-CD1 4.18Å; L676-L706 HydrophobicContact CD2-CD1 4.26Å; L677-L706 HydrophobicContact CD2-CD2 3.63Å; L680-L706 HydrophobicContact CD1-CD2 4.17Å; F702-L706 HydrophobicContact CE1-CD2 4.2Å; F702-L706 WeakPolarHBondContact O-CB 3.4Å; F702-L706 PolarHBondContact O-N 2.92Å; I703-L706 PolarHBondContact O-N 2.92Å; H704-L706 VanDerWaalsContact C-N 3.26Å; H704-L706 PolarHBondContact O-N 3.15Å; L706-Y710 HydrophobicContact CD1-CD2 3.76Å; L706-Y710 HydrophobicContact CD1-CE2 4.41Å; L706-Y710 HydrophobicContact CD1-CG 4.19Å; L706-Y710 CarbonylContact O-C 3.59Å; L706-Y710 WeakPolarHBondContact O-CA 3.44Å; L706-Y710 WeakPolarHBondContact O-CB 3.42Å; L706-Y710 PolarHBondContact O-N 2.71Å; L706-L714 HydrophobicContact CD2-CD1 4.18Å
707	A	90.2	Very high	89.9	Confident	37 Å²	37	54.8 Å²	54.8	31%	0.306	31%	0.312	S	S	.	.	H	α-helix	trans	-66.9	-41.3	173.8	0	0	0	0	0	112.6	I703 H704 L714	I703-A707 WeakPolarHBondContact O-CB 3.39Å; I703-A707 PolarHBondContact O-N 2.98Å; H704-A707 WeakPolarHBondContact O-CB 3.32Å; H704-A707 PolarHBondContact O-N 3.18Å; H704-A707 VanDerWaalsContact O-N 3.08Å; A707-L714 HydrophobicContact CB-CD2 3.63Å
708	E	89.9	Confident	89.6	Confident	152 Å²	152	52.3 Å²	52.3	71%	0.71	30%	0.296	S	S	*	.	H	α-helix	trans	-72.7	-42.8	-179.4	-71.2	168.2	-176.8	0	0	112.3	H704 R705	H704-E708 WeakPolarHBondContact O-CG 3.44Å; H704-E708 PolarHBondContact O-N 3.4Å; R705-E708 PolarHBondContact O-N 2.91Å
709	G	85.9	Confident	89.6	Confident	51 Å²	51	56.3 Å²	56.3	53%	0.526	32%	0.317	S	S	.	.	H	α-helix	trans	-83.1	-31.6	-179.3	0	0	0	0	0	114.7	R705 P711	R705-G709 PolarHBondContact O-N 3.29Å; G709-P711 WeakPolarHBondContact O-CD 3.37Å
710	Y	87.4	Confident	89.5	Confident	33 Å²	33	60.1 Å²	60.1	13%	0.129	33%	0.332	C	S	.	.			trans	-129.4	56.6	-171.8	-55.9	-97.7	0	0	0	112.2	F638 E639 F644 L706 T712 V713 L714	F638-Y710 HydrophobicContact CE2-CE2 4.4Å; F638-Y710 HydrophobicContact CZ-CD2 4.45Å; F638-Y710 AromaticContact CZ-CE2 3.78Å; F638-Y710 HydrophobicContact CZ-CE2 3.78Å; F638-Y710 AromaticContact CZ-CZ 3.95Å; E639-Y710 WeakPolarHBondContact CG-OH 3.46Å; E639-Y710 VanDerWaalsContact OE1-CE2 3.3Å; E639-Y710 WeakPolarHBondContact OE1-CE2 3.34Å; E639-Y710 PolarHBondContact OE1-OH 2.58Å; F644-Y710 HydrophobicContact CE2-CE1 4.2Å; F644-Y710 WeakPolarHBondContact CE2-OH 3.47Å; F644-Y710 HydrophobicContact CZ-CE1 4.39Å; F644-Y710 WeakPolarHBondContact CZ-OH 3.38Å; L706-Y710 HydrophobicContact CD1-CD2 3.76Å; L706-Y710 HydrophobicContact CD1-CE2 4.41Å; L706-Y710 HydrophobicContact CD1-CG 4.19Å; L706-Y710 CarbonylContact O-C 3.59Å; L706-Y710 WeakPolarHBondContact O-CA 3.44Å; L706-Y710 WeakPolarHBondContact O-CB 3.42Å; L706-Y710 PolarHBondContact O-N 2.71Å; Y710-T712 PolarHBondContact O-N 2.98Å; Y710-V713 WeakPolarHBondContact O-CB 3.5Å; Y710-V713 PolarHBondContact O-N 2.82Å; Y710-L714 PolarHBondContact O-N 3.45Å
711	P	84.4	Confident	89.4	Confident	80 Å²	80	60 Å²	60	52%	0.519	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-23.7	-177.4	27.4	-36.4	0	0	0	113.4	G709 V713	G709-P711 WeakPolarHBondContact O-CD 3.37Å; P711-V713 VanDerWaalsContact C-N 3.28Å; P711-V713 PolarHBondContact O-N 3.19Å
712	T	82.5	Confident	89.4	Confident	98 Å²	98	62.2 Å²	62.2	60%	0.601	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.8	-26.9	171.7	49.1	0	0	0	0	112.7	Y710 H715	Y710-T712 PolarHBondContact O-N 2.98Å; T712-H715 PolarHBondContact O-CE1 2.96Å; T712-H715 PolarHBondContact O-ND1 3.37Å
713	V	84.8	Confident	89.5	Confident	2 Å²	2	65.7 Å²	65.7	1%	0.012	35%	0.352	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.2	-55.1	176	177.8	0	0	0	0	110.1	P669 V672 E673 L677 Y710 P711 H715 N718 T721	P669-V713 HydrophobicContact CB-CG2 3.76Å; V672-V713 HydrophobicContact CB-CG2 4.37Å; V672-V713 HydrophobicContact CG1-CG1 4.13Å; V672-V713 HydrophobicContact CG1-CG2 4.39Å; E673-V713 HydrophobicContact CB-CG1 4.22Å; L677-V713 HydrophobicContact CD1-CG1 3.78Å; L677-V713 HydrophobicContact CG-CG1 4.23Å; Y710-V713 WeakPolarHBondContact O-CB 3.5Å; Y710-V713 PolarHBondContact O-N 2.82Å; P711-V713 VanDerWaalsContact C-N 3.28Å; P711-V713 PolarHBondContact O-N 3.19Å; V713-H715 VanDerWaalsContact C-N 3.32Å; V713-H715 PolarHBondContact O-N 3.05Å; V713-H715 PolarHBondContact O-ND1 3.22Å; V713-N718 PolarHBondContact O-ND2 3.39Å; V713-T721 PolarHBondContact O-OG1 2.73Å
714	L	86	Confident	89.6	Confident	32 Å²	32	65.6 Å²	65.6	17%	0.168	35%	0.352	C	S	.	.	S	Bend	trans	-88.9	58.9	-168.4	-152.1	84.2	0	0	0	113.7	L677 I703 L706 A707 Y710 T721	L677-L714 HydrophobicContact CD1-CD1 4.37Å; L677-L714 HydrophobicContact CD2-CD1 3.69Å; I703-L714 HydrophobicContact CG2-CD2 3.94Å; L706-L714 HydrophobicContact CD2-CD1 4.18Å; A707-L714 HydrophobicContact CB-CD2 3.63Å; Y710-L714 PolarHBondContact O-N 3.45Å; L714-T721 HydrophobicContact CD1-CG2 3.95Å; L714-T721 HydrophobicContact CG-CG2 4.01Å
715	H	85.3	Confident	89.8	Confident	74 Å²	74	65.1 Å²	65.1	34%	0.343	35%	0.351	S	S	.	.			trans	-111.5	163.5	178	65.8	-84.2	0	0	0	113	T712 V713 D717 N718	T712-H715 PolarHBondContact O-CE1 2.96Å; T712-H715 PolarHBondContact O-ND1 3.37Å; V713-H715 VanDerWaalsContact C-N 3.32Å; V713-H715 PolarHBondContact O-N 3.05Å; V713-H715 PolarHBondContact O-ND1 3.22Å; H715-D717 PolarHBondContact O-N 3.48Å; H715-N718 WeakPolarHBondContact O-CB 3.38Å; H715-N718 PolarHBondContact O-N 2.9Å
716	G	82.2	Confident	90	Very high	56 Å²	56	63.6 Å²	63.6	58%	0.577	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.1	-27.9	-169.7	0	0	0	0	0	115.5	Q722	G716-Q722 WeakPolarHBondContact O-CG 3.25Å; G716-Q722 PolarHBondContact O-NE2 3.31Å
717	D	86.4	Confident	90.3	Very high	141 Å²	141	63.8 Å²	63.8	75%	0.754	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.4	-12.9	-179.6	-50.2	-72	0	0	0	113.1	H715 Q719	H715-D717 PolarHBondContact O-N 3.48Å; D717-Q719 PolarHBondContact O-N 2.66Å
718	N	91.2	Very high	90.7	Very high	8 Å²	8	62 Å²	62	4%	0.043	33%	0.334	C	S	.	.			trans	-71.5	117.9	179.3	-171.2	-29.6	0	0	0	111.3	E673 V713 H715 Y720 T721 Q722	E673-N718 PolarHBondContact OE2-ND2 2.99Å; V713-N718 PolarHBondContact O-ND2 3.39Å; H715-N718 WeakPolarHBondContact O-CB 3.38Å; H715-N718 PolarHBondContact O-N 2.9Å; N718-Y720 VanDerWaalsContact C-N 3.26Å; N718-Y720 PolarHBondContact O-N 3.2Å; N718-Y720 PolarHBondContact OD1-N 2.78Å; N718-T721 WeakPolarHBondContact O-CB 3.37Å; N718-T721 PolarHBondContact O-N 2.77Å; N718-T721 VanDerWaalsContact O-N 3.13Å; N718-Q722 WeakPolarHBondContact O-CG 3.29Å; N718-Q722 PolarHBondContact O-N 2.87Å
719	Q	94	Very high	91.1	Very high	148 Å²	148	55.4 Å²	55.4	69%	0.692	31%	0.305	S	S	*	.	H	α-helix	trans	-56.3	-36.2	179.5	-174.7	179.4	-5.5	0	0	113.3	D717 Q722 E723	D717-Q719 PolarHBondContact O-N 2.66Å; Q719-Q722 PolarHBondContact O-N 3.24Å; Q719-E723 PolarHBondContact O-N 3.27Å
720	Y	94	Very high	91.7	Very high	81 Å²	81	57.1 Å²	57.1	32%	0.318	30%	0.301	S	S	.	.	H	α-helix	trans	-72.8	-37.7	179.6	-65.8	-91.8	0	0	0	111.7	E673 K674 N718 E723 L724	E673-Y720 HydrophobicContact CG-CD2 3.29Å; E673-Y720 HydrophobicContact CG-CE2 3.87Å; E673-Y720 HydrophobicContact CG-CG 3.8Å; E673-Y720 WeakPolarHBondContact OE1-CE2 3.41Å; K674-Y720 HydrophobicContact CG-CE2 4.02Å; N718-Y720 VanDerWaalsContact C-N 3.26Å; N718-Y720 PolarHBondContact O-N 3.2Å; N718-Y720 PolarHBondContact OD1-N 2.78Å; Y720-E723 PolarHBondContact O-N 3.42Å; Y720-L724 WeakPolarHBondContact O-CB 3.39Å; Y720-L724 PolarHBondContact O-N 2.92Å
721	T	94.4	Very high	92.2	Very high	6 Å²	6	56.4 Å²	56.4	4%	0.037	30%	0.298	C	S	.	.	H	α-helix	trans	-64.3	-43.8	171.2	-58.1	0	0	0	0	110.8	L677 V713 L714 N718 E723 L724 L725	L677-T721 WeakPolarHBondContact CD1-OG1 3.38Å; V713-T721 PolarHBondContact O-OG1 2.73Å; L714-T721 HydrophobicContact CD1-CG2 3.95Å; L714-T721 HydrophobicContact CG-CG2 4.01Å; N718-T721 WeakPolarHBondContact O-CB 3.37Å; N718-T721 PolarHBondContact O-N 2.77Å; N718-T721 VanDerWaalsContact O-N 3.13Å; T721-E723 PolarHBondContact O-N 2.87Å; T721-L724 PolarHBondContact O-N 2.91Å; T721-L725 HydrophobicContact CG2-CD1 4.18Å; T721-L725 WeakPolarHBondContact O-CG 3.26Å; T721-L725 PolarHBondContact O-N 3.44Å
722	Q	94.7	Very high	92.8	Very high	103 Å²	103	52.7 Å²	52.7	48%	0.481	27%	0.274	S	S	.	.	H	α-helix	trans	-59.6	-43.8	175.5	-70	177.3	12.2	0	0	112.2	G716 N718 Q719 L725 K726	G716-Q722 WeakPolarHBondContact O-CG 3.25Å; G716-Q722 PolarHBondContact O-NE2 3.31Å; N718-Q722 WeakPolarHBondContact O-CG 3.29Å; N718-Q722 PolarHBondContact O-N 2.87Å; Q719-Q722 PolarHBondContact O-N 3.24Å; Q722-L725 PolarHBondContact O-N 3.45Å; Q722-K726 WeakPolarHBondContact O-CB 3.38Å; Q722-K726 PolarHBondContact O-N 2.85Å
723	E	96.3	Very high	93.5	Very high	81 Å²	81	52.6 Å²	52.6	38%	0.379	26%	0.263	S	S	.	.	H	α-helix	trans	-70.1	-35.2	179.6	-167.2	57.4	-135.2	0	0	112.7	Q719 Y720 T721 K726 S727	Q719-E723 PolarHBondContact O-N 3.27Å; Y720-E723 PolarHBondContact O-N 3.42Å; T721-E723 PolarHBondContact O-N 2.87Å; E723-K726 IonicContact OE1-NZ 2.68Å; E723-K726 PolarHBondContact OE1-NZ 3.15Å; E723-K726 IonicContact OE2-NZ 2.7Å; E723-K726 PolarHBondContact OE2-NZ 2.7Å; E723-S727 VanDerWaalsContact O-CB 3.3Å; E723-S727 WeakPolarHBondContact O-CB 3.47Å; E723-S727 PolarHBondContact O-N 2.96Å; E723-S727 PolarHBondContact O-OG 3.16Å
724	L	96.8	Very high	94.1	Very high	1 Å²	1	57 Å²	57	1%	0.005	28%	0.279	C	S	.	.	H	α-helix	trans	-60.5	-53	171.6	174.8	56.8	0	0	0	111.2	L677 L680 S681 A684 I703 Y720 T721 K726 S727 I728	L677-L724 HydrophobicContact CD2-CD2 4.22Å; L680-L724 HydrophobicContact CB-CD1 3.98Å; L680-L724 HydrophobicContact CB-CD2 4.24Å; S681-L724 WeakPolarHBondContact OG-CA 3.22Å; S681-L724 WeakPolarHBondContact OG-CB 3.26Å; S681-L724 PolarHBondContact OG-N 2.95Å; A684-L724 HydrophobicContact CB-CD1 4.07Å; I703-L724 HydrophobicContact CD1-CD2 4.39Å; Y720-L724 WeakPolarHBondContact O-CB 3.39Å; Y720-L724 PolarHBondContact O-N 2.92Å; T721-L724 PolarHBondContact O-N 2.91Å; L724-K726 VanDerWaalsContact C-N 3.34Å; L724-K726 PolarHBondContact O-N 3.05Å; L724-S727 WeakPolarHBondContact O-CB 3.29Å; L724-S727 PolarHBondContact O-N 3.45Å; L724-S727 VanDerWaalsContact O-N 3.16Å; L724-I728 HydrophobicContact CD1-CD1 3.93Å; L724-I728 HydrophobicContact CD1-CG1 4.47Å; L724-I728 HydrophobicContact CG-CD1 4Å; L724-I728 WeakPolarHBondContact O-CD1 3.33Å; L724-I728 WeakPolarHBondContact O-CG1 3.33Å; L724-I728 PolarHBondContact O-N 3.01Å
725	L	96.2	Very high	94.6	Very high	46 Å²	46	55.4 Å²	55.4	24%	0.241	27%	0.271	C	S	.	.	H	α-helix	trans	-63.9	-39.1	179.8	-63.5	179.4	0	0	0	111.9	T721 Q722 I728 V729 I781 L782	T721-L725 HydrophobicContact CG2-CD1 4.18Å; T721-L725 WeakPolarHBondContact O-CG 3.26Å; T721-L725 PolarHBondContact O-N 3.44Å; Q722-L725 PolarHBondContact O-N 3.45Å; L725-I728 HydrophobicContact CD2-CD1 4.25Å; L725-I728 PolarHBondContact O-N 2.86Å; L725-V729 WeakPolarHBondContact O-CG2 3.26Å; L725-V729 PolarHBondContact O-N 2.89Å; L725-I781 HydrophobicContact CD2-CG2 3.57Å; L725-L782 HydrophobicContact CB-CD2 4.33Å; L725-L782 HydrophobicContact CD2-CD2 4.14Å
726	K	96.7	Very high	95.1	Very high	103 Å²	103	52 Å²	52	45%	0.448	26%	0.255	S	S	.	.	H	α-helix	trans	-60.8	-42.6	172.1	169.5	166.2	160.2	-87.5	0	111.9	Q722 E723 L724 V729 L730	Q722-K726 WeakPolarHBondContact O-CB 3.38Å; Q722-K726 PolarHBondContact O-N 2.85Å; E723-K726 IonicContact OE1-NZ 2.68Å; E723-K726 PolarHBondContact OE1-NZ 3.15Å; E723-K726 IonicContact OE2-NZ 2.7Å; E723-K726 PolarHBondContact OE2-NZ 2.7Å; L724-K726 VanDerWaalsContact C-N 3.34Å; L724-K726 PolarHBondContact O-N 3.05Å; K726-V729 PolarHBondContact O-N 3.2Å; K726-L730 HydrophobicContact CG-CD1 3.84Å; K726-L730 WeakPolarHBondContact O-CB 3.32Å; K726-L730 VanDerWaalsContact O-CG 3.26Å; K726-L730 WeakPolarHBondContact O-CG 3.44Å; K726-L730 PolarHBondContact O-N 3.02Å
727	S	98.1	Very high	95.7	Very high	6 Å²	6	54 Å²	54	4%	0.042	25%	0.253	C	S	.	.	H	α-helix	trans	-62.4	-44.9	176.2	-63.5	0	0	0	0	111.8	E723 L724 V729 L730 R731	E723-S727 VanDerWaalsContact O-CB 3.3Å; E723-S727 WeakPolarHBondContact O-CB 3.47Å; E723-S727 PolarHBondContact O-N 2.96Å; E723-S727 PolarHBondContact O-OG 3.16Å; L724-S727 WeakPolarHBondContact O-CB 3.29Å; L724-S727 PolarHBondContact O-N 3.45Å; L724-S727 VanDerWaalsContact O-N 3.16Å; S727-V729 PolarHBondContact O-N 3.45Å; S727-L730 PolarHBondContact O-N 3.13Å; S727-R731 VanDerWaalsContact O-CB 3.23Å; S727-R731 WeakPolarHBondContact O-CB 3.41Å; S727-R731 PolarHBondContact O-N 2.78Å
728	I	98	Very high	96	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-58.8	-48.1	175.5	-69.2	154.7	0	0	0	111.3	A684 W688 I703 L724 L725 R731 T732 W778 L782	A684-I728 HydrophobicContact CB-CG1 3.91Å; W688-I728 HydrophobicContact CH2-CG2 4.06Å; W688-I728 HydrophobicContact CZ3-CB 4.29Å; W688-I728 HydrophobicContact CZ3-CG1 4.47Å; W688-I728 HydrophobicContact CZ3-CG2 3.84Å; I703-I728 HydrophobicContact CD1-CD1 4.12Å; L724-I728 HydrophobicContact CD1-CD1 3.93Å; L724-I728 HydrophobicContact CD1-CG1 4.47Å; L724-I728 HydrophobicContact CG-CD1 4Å; L724-I728 WeakPolarHBondContact O-CD1 3.33Å; L724-I728 WeakPolarHBondContact O-CG1 3.33Å; L724-I728 PolarHBondContact O-N 3.01Å; L725-I728 HydrophobicContact CD2-CD1 4.25Å; L725-I728 PolarHBondContact O-N 2.86Å; I728-R731 PolarHBondContact O-N 3.21Å; I728-T732 WeakPolarHBondContact O-CB 3.48Å; I728-T732 PolarHBondContact O-N 2.7Å; I728-T732 PolarHBondContact O-OG1 2.8Å; I728-W778 HydrophobicContact CB-CH2 4.46Å; I728-W778 HydrophobicContact CD1-CE3 4.38Å; I728-W778 HydrophobicContact CD1-CH2 3.48Å; I728-W778 VanDerWaalsContact CD1-CH2 3.48Å; I728-W778 HydrophobicContact CD1-CZ2 4.44Å; I728-W778 HydrophobicContact CD1-CZ3 3.47Å; I728-W778 VanDerWaalsContact CD1-CZ3 3.47Å; I728-W778 HydrophobicContact CG1-CH2 3.78Å; I728-W778 HydrophobicContact CG1-CZ2 4.31Å; I728-W778 HydrophobicContact CG1-CZ3 4.19Å; I728-W778 HydrophobicContact CG2-CD2 3.99Å; I728-W778 HydrophobicContact CG2-CE3 4.11Å; I728-W778 HydrophobicContact CG2-CH2 3.81Å; I728-W778 HydrophobicContact CG2-CZ2 3.69Å; I728-W778 HydrophobicContact CG2-CZ3 4.04Å; I728-L782 HydrophobicContact CG2-CD1 4.46Å
729	V	97.9	Very high	96	Very high	14 Å²	14	53.4 Å²	53.4	9%	0.085	25%	0.245	C	C	.	.	H	α-helix	trans	-64.6	-43.5	179.1	170.4	0	0	0	0	111.6	L725 K726 S727 T732 R733 L782 L790	L725-V729 WeakPolarHBondContact O-CG2 3.26Å; L725-V729 PolarHBondContact O-N 2.89Å; K726-V729 PolarHBondContact O-N 3.2Å; S727-V729 PolarHBondContact O-N 3.45Å; V729-T732 PolarHBondContact O-N 2.72Å; V729-R733 WeakPolarHBondContact O-CG 3.21Å; V729-R733 PolarHBondContact O-N 3.13Å; V729-L782 HydrophobicContact CG2-CD1 4.14Å; V729-L782 HydrophobicContact CG2-CD2 3.78Å; V729-L790 HydrophobicContact CG1-CD1 4.4Å; V729-L790 HydrophobicContact CG2-CD1 4.32Å
730	L	97.8	Very high	96	Very high	86 Å²	86	47.2 Å²	47.2	45%	0.45	22%	0.218	S	C	.	.	H	α-helix	trans	-67.5	-41.5	178.3	-71.6	171.6	0	0	0	112.2	K726 S727 T732 R733 R734	K726-L730 HydrophobicContact CG-CD1 3.84Å; K726-L730 WeakPolarHBondContact O-CB 3.32Å; K726-L730 VanDerWaalsContact O-CG 3.26Å; K726-L730 WeakPolarHBondContact O-CG 3.44Å; K726-L730 PolarHBondContact O-N 3.02Å; S727-L730 PolarHBondContact O-N 3.13Å; L730-T732 VanDerWaalsContact C-N 3.32Å; L730-T732 PolarHBondContact O-N 2.71Å; L730-R733 PolarHBondContact O-N 2.86Å; L730-R734 WeakPolarHBondContact O-CB 3.41Å; L730-R734 PolarHBondContact O-N 2.72Å
731	R	97.8	Very high	95.9	Very high	18 Å²	18	47.6 Å²	47.6	7%	0.068	22%	0.221	C	C	.	.	H	α-helix	trans	-60.5	-42.2	174.8	179.7	70.6	-166.8	87.9	-0.2	111.5	A684 W688 P690 S727 I728 R734 T735	A684-R731 VanDerWaalsContact O-CG 3.31Å; A684-R731 WeakPolarHBondContact O-CG 3.41Å; W688-R731 HydrophobicContact CE3-CB 4.19Å; W688-R731 HydrophobicContact CE3-CG 3.73Å; W688-R731 HydrophobicContact CZ3-CB 4.15Å; W688-R731 HydrophobicContact CZ3-CG 4.01Å; W688-R731 PolarHBondContact O-NE 2.97Å; W688-R731 PolarHBondContact O-NH2 2.91Å; P690-R731 HydrophobicContact CG-CG 3.98Å; S727-R731 VanDerWaalsContact O-CB 3.23Å; S727-R731 WeakPolarHBondContact O-CB 3.41Å; S727-R731 PolarHBondContact O-N 2.78Å; I728-R731 PolarHBondContact O-N 3.21Å; R731-R734 PolarHBondContact O-N 3.23Å; R731-T735 PolarHBondContact NH1-OG1 2.88Å; R731-T735 PolarHBondContact O-N 2.97Å; R731-T735 VanDerWaalsContact O-N 3.15Å
732	T	97.9	Very high	95.7	Very high	2 Å²	2	48.3 Å²	48.3	1%	0.012	23%	0.225	C	C	.	.	H	α-helix	trans	-64.9	-47.9	177.4	-57.9	0	0	0	0	111.5	W688 I728 V729 L730 R734 T735 L736 I775 L790	W688-T732 WeakPolarHBondContact CH2-OG1 3.34Å; I728-T732 WeakPolarHBondContact O-CB 3.48Å; I728-T732 PolarHBondContact O-N 2.7Å; I728-T732 PolarHBondContact O-OG1 2.8Å; V729-T732 PolarHBondContact O-N 2.72Å; L730-T732 VanDerWaalsContact C-N 3.32Å; L730-T732 PolarHBondContact O-N 2.71Å; T732-R734 PolarHBondContact O-N 2.98Å; T732-T735 PolarHBondContact O-N 2.96Å; T732-L736 HydrophobicContact CG2-CD1 4.16Å; T732-L736 PolarHBondContact O-N 3.38Å; T732-I775 HydrophobicContact CG2-CD1 3.78Å; T732-I775 HydrophobicContact CG2-CG1 3.75Å; T732-L790 HydrophobicContact CG2-CD1 4.26Å; T732-L790 HydrophobicContact CG2-CD2 4.36Å
733	R	97.4	Very high	95.3	Very high	96 Å²	96	43.8 Å²	43.8	36%	0.362	20%	0.204	S	C	.	.	H	α-helix	trans	-60.7	-42.5	175.9	-74.1	-179.5	174.6	147.1	-3	112.1	V729 L730 T735 L736 D737 D789 L790	V729-R733 WeakPolarHBondContact O-CG 3.21Å; V729-R733 PolarHBondContact O-N 3.13Å; L730-R733 PolarHBondContact O-N 2.86Å; R733-T735 VanDerWaalsContact C-N 3.34Å; R733-T735 PolarHBondContact O-N 3.31Å; R733-L736 PolarHBondContact O-N 3.46Å; R733-L736 VanDerWaalsContact O-N 3.1Å; R733-D737 PolarHBondContact O-N 3.11Å; R733-D789 IonicContact CZ-OD2 3.69Å; R733-D789 IonicContact NE-OD2 2.74Å; R733-D789 IonicContact NH2-OD2 2.7Å; R733-D789 PolarHBondContact NH2-OD2 3.35Å; R733-L790 HydrophobicContact CG-CD2 3.55Å
734	R	96.6	Very high	94.8	Very high	94 Å²	94	45.1 Å²	45.1	36%	0.355	21%	0.214	S	C	.	.	H	α-helix	trans	-55.7	-46.9	174.5	-166.3	-174.4	-64	147.4	-0.8	111.4	E685 L730 R731 T732 L736 D737 E738	E685-R734 IonicContact OE1-CZ 3.24Å; E685-R734 IonicContact OE1-NH1 3.39Å; E685-R734 IonicContact OE1-NH2 3.3Å; E685-R734 PolarHBondContact OE1-NH2 3.39Å; L730-R734 WeakPolarHBondContact O-CB 3.41Å; L730-R734 PolarHBondContact O-N 2.72Å; R731-R734 PolarHBondContact O-N 3.23Å; T732-R734 PolarHBondContact O-N 2.98Å; R734-L736 PolarHBondContact O-N 2.92Å; R734-D737 PolarHBondContact O-N 3.23Å; R734-E738 VanDerWaalsContact CG-CD 3.45Å; R734-E738 HydrophobicContact CG-CG 4.29Å; R734-E738 VanDerWaalsContact CG-OE2 3.22Å; R734-E738 WeakPolarHBondContact CG-OE2 3.24Å; R734-E738 VanDerWaalsContact O-CB 3.32Å; R734-E738 WeakPolarHBondContact O-CB 3.49Å; R734-E738 PolarHBondContact O-N 3.4Å
735	T	96.4	Very high	94.2	Very high	0 Å²	0	47 Å²	47	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-64.5	-37.1	175.5	-81.8	0	0	0	0	113.1	P690 L691 R731 T732 R733 D737 D739 V740 L771	P690-T735 HydrophobicContact CB-CG2 4.25Å; P690-T735 HydrophobicContact CG-CG2 4.45Å; L691-T735 HydrophobicContact CD1-CG2 3.98Å; L691-T735 HydrophobicContact CG-CG2 3.97Å; R731-T735 PolarHBondContact NH1-OG1 2.88Å; R731-T735 PolarHBondContact O-N 2.97Å; R731-T735 VanDerWaalsContact O-N 3.15Å; T732-T735 PolarHBondContact O-N 2.96Å; R733-T735 VanDerWaalsContact C-N 3.34Å; R733-T735 PolarHBondContact O-N 3.31Å; T735-D737 VanDerWaalsContact C-N 3.29Å; T735-D737 PolarHBondContact O-N 2.9Å; T735-D739 WeakPolarHBondContact CA-OD2 3.28Å; T735-D739 WeakPolarHBondContact CB-OD2 3.24Å; T735-D739 HydrophobicContact CG2-CB 4.08Å; T735-D739 WeakPolarHBondContact O-CB 3.43Å; T735-D739 PolarHBondContact O-N 2.67Å; T735-D739 PolarHBondContact OG1-OD2 3.44Å; T735-V740 PolarHBondContact O-N 2.71Å; T735-L771 HydrophobicContact CG2-CD1 4.2Å; T735-L771 HydrophobicContact CG2-CD2 4.03Å
736	L	95.9	Very high	93.5	Very high	3 Å²	3	48.8 Å²	48.8	2%	0.016	24%	0.235	C	C	.	.	H	α-helix	trans	-68	-24	175.6	-73.6	166.5	0	0	0	114	T732 R733 R734 V740 L771 I775 L790 T795 Y799	T732-L736 HydrophobicContact CG2-CD1 4.16Å; T732-L736 PolarHBondContact O-N 3.38Å; R733-L736 PolarHBondContact O-N 3.46Å; R733-L736 VanDerWaalsContact O-N 3.1Å; R734-L736 PolarHBondContact O-N 2.92Å; L736-V740 HydrophobicContact CD2-CG2 4.37Å; L736-L771 HydrophobicContact CD2-CD2 3.57Å; L736-L771 HydrophobicContact CD2-CG 4.46Å; L736-L771 HydrophobicContact CG-CD2 4.24Å; L736-I775 HydrophobicContact CD1-CD1 4.1Å; L736-I775 HydrophobicContact CD2-CD1 4.38Å; L736-L790 HydrophobicContact CD1-CD2 4.39Å; L736-T795 HydrophobicContact CD2-CG2 4.16Å; L736-T795 VanDerWaalsContact CD2-OG1 3.24Å; L736-T795 WeakPolarHBondContact CD2-OG1 3.47Å; L736-Y799 HydrophobicContact CD2-CE2 4.43Å; L736-Y799 WeakPolarHBondContact O-CE2 3.44Å; L736-Y799 PolarHBondContact O-OH 3.13Å
737	D	94.2	Very high	92.7	Very high	98 Å²	98	49.1 Å²	49.1	52%	0.524	24%	0.237	S	C	.	.	H	α-helix	trans	-98.4	-30.4	178.1	-74.8	-39.2	0	0	0	114	R733 R734 T735 R798	R733-D737 PolarHBondContact O-N 3.11Å; R734-D737 PolarHBondContact O-N 3.23Å; T735-D737 VanDerWaalsContact C-N 3.29Å; T735-D737 PolarHBondContact O-N 2.9Å; D737-R798 IonicContact OD1-CZ 2.79Å; D737-R798 IonicContact OD1-NH1 3.77Å; D737-R798 PolarHBondContact OD1-NH1 3.21Å; D737-R798 IonicContact OD1-NH2 3.32Å; D737-R798 PolarHBondContact OD1-NH2 3.41Å
738	E	93.5	Very high	91.8	Very high	126 Å²	126	54.8 Å²	54.8	59%	0.589	27%	0.266	S	S	*	.	H	α-helix	trans	-109.6	-33.5	-172	-61.9	177.1	-177.9	0	0	114.3	R734	R734-E738 VanDerWaalsContact CG-CD 3.45Å; R734-E738 HydrophobicContact CG-CG 4.29Å; R734-E738 VanDerWaalsContact CG-OE2 3.22Å; R734-E738 WeakPolarHBondContact CG-OE2 3.24Å; R734-E738 VanDerWaalsContact O-CB 3.32Å; R734-E738 WeakPolarHBondContact O-CB 3.49Å; R734-E738 PolarHBondContact O-N 3.4Å
739	D	92.1	Very high	91	Very high	9 Å²	9	56.9 Å²	56.9	5%	0.048	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.9	-22.3	-173.6	-60.7	-45.4	0	0	0	114.1	V474 Q478 L691 T735	V474-D739 VanDerWaalsContact CG1-OD1 3.31Å; V474-D739 WeakPolarHBondContact CG1-OD1 3.41Å; Q478-D739 PolarHBondContact NE2-OD1 3.13Å; L691-D739 HydrophobicContact CD1-CB 3.85Å; T735-D739 WeakPolarHBondContact CA-OD2 3.28Å; T735-D739 WeakPolarHBondContact CB-OD2 3.24Å; T735-D739 HydrophobicContact CG2-CB 4.08Å; T735-D739 WeakPolarHBondContact O-CB 3.43Å; T735-D739 PolarHBondContact O-N 2.67Å; T735-D739 PolarHBondContact OG1-OD2 3.44Å
740	V	93.3	Very high	90.2	Very high	19 Å²	19	57.1 Å²	57.1	12%	0.115	28%	0.279	C	S	.	.			trans	-88.1	113.6	-176.2	174.6	0	0	0	0	111.1	T735 L736 L771 Y799	T735-V740 PolarHBondContact O-N 2.71Å; L736-V740 HydrophobicContact CD2-CG2 4.37Å; V740-L771 HydrophobicContact CG2-CD2 3.46Å; V740-L771 VanDerWaalsContact CG2-CD2 3.46Å; V740-Y799 HydrophobicContact CB-CE2 4.17Å; V740-Y799 HydrophobicContact CG1-CD1 4.07Å; V740-Y799 HydrophobicContact CG1-CD2 3.75Å; V740-Y799 HydrophobicContact CG1-CE1 4.04Å; V740-Y799 HydrophobicContact CG1-CE2 3.69Å; V740-Y799 HydrophobicContact CG1-CG 3.92Å
741	F	91.8	Very high	89.4	Confident	88 Å²	88	58.6 Å²	58.6	39%	0.386	29%	0.288	S	S	.	.			trans	-129.3	117.4	175.2	177.3	-96.7	0	0	0	110.9	I481 P743 F760 Q764	I481-F741 HydrophobicContact CG2-CB 3.73Å; I481-F741 HydrophobicContact CG2-CD1 3.73Å; I481-F741 HydrophobicContact CG2-CG 3.94Å; F741-P743 HydrophobicContact CE1-CB 3.8Å; F741-P743 HydrophobicContact CE1-CG 4.08Å; F741-P743 HydrophobicContact CZ-CB 4.06Å; F741-F760 HydrophobicContact CD1-CE1 4.44Å; F741-F760 HydrophobicContact CD1-CZ 4.01Å; F741-F760 AromaticContact CE1-CE1 3.93Å; F741-F760 HydrophobicContact CE1-CE1 3.93Å; F741-F760 AromaticContact CE1-CZ 3.91Å; F741-F760 HydrophobicContact CE1-CZ 3.91Å; F741-Q764 VanDerWaalsContact O-CB 3.24Å; F741-Q764 WeakPolarHBondContact O-CB 3.32Å; F741-Q764 WeakPolarHBondContact O-CG 3.37Å
742	L	90.4	Very high	88.7	Confident	22 Å²	22	62.1 Å²	62.1	12%	0.115	31%	0.308	C	S	.	.			trans	-123.5	102.5	-179.8	-171.5	49.7	0	0	0	109.5	Y761 Q764 F765 A803	L742-Y761 HydrophobicContact CD1-CD2 3.97Å; L742-Y761 HydrophobicContact CD1-CE2 3.89Å; L742-Y761 HydrophobicContact CG-CE2 4.44Å; L742-Q764 HydrophobicContact CD1-CB 3.77Å; L742-F765 HydrophobicContact CD1-CB 4.15Å; L742-A803 HydrophobicContact CD2-CB 3.41Å; L742-A803 VanDerWaalsContact CD2-CB 3.41Å; L742-A803 HydrophobicContact CG-CB 3.87Å
743	P	87.1	Confident	88.1	Confident	8 Å²	8	67.6 Å²	67.6	5%	0.052	33%	0.332	C	S	.	.			trans	-72.8	137.8	-172.1	28.3	-35.3	0	0	0	112.2	F741 Y745 F760 Y761	F741-P743 HydrophobicContact CE1-CB 3.8Å; F741-P743 HydrophobicContact CE1-CG 4.08Å; F741-P743 HydrophobicContact CZ-CB 4.06Å; P743-Y745 HydrophobicContact CB-CD2 4.25Å; P743-Y745 HydrophobicContact CB-CE1 4.29Å; P743-Y745 HydrophobicContact CB-CE2 3.68Å; P743-Y745 HydrophobicContact CG-CD2 4.25Å; P743-Y745 HydrophobicContact CG-CE2 3.54Å; P743-F760 HydrophobicContact CB-CE1 4.45Å; P743-F760 HydrophobicContact CG-CD1 3.96Å; P743-F760 HydrophobicContact CG-CE1 3.8Å; P743-Y761 VanDerWaalsContact O-CD2 3.3Å; P743-Y761 WeakPolarHBondContact O-CD2 3.34Å
744	L	85	Confident	87.5	Confident	109 Å²	109	69.9 Å²	69.9	57%	0.571	35%	0.351	S	S	*	.			trans	-96.6	106.8	172.2	-57.2	-179.5	0	0	0	109.2
745	Y	84.2	Confident	87.1	Confident	40 Å²	40	66.5 Å²	66.5	16%	0.157	34%	0.342	C	S	.	.			trans	-102.6	144.4	179.7	-68.5	-56.7	0	0	0	112.2	F488 P743 V749 M750 A757 F760	F488-Y745 HydrophobicContact CB-CE1 4.26Å; P743-Y745 HydrophobicContact CB-CD2 4.25Å; P743-Y745 HydrophobicContact CB-CE1 4.29Å; P743-Y745 HydrophobicContact CB-CE2 3.68Å; P743-Y745 HydrophobicContact CG-CD2 4.25Å; P743-Y745 HydrophobicContact CG-CE2 3.54Å; Y745-V749 HydrophobicContact CG-CG1 4.44Å; Y745-M750 HydrophobicContact CD2-SD 4.04Å; Y745-M750 HydrophobicContact CG-SD 4.41Å; Y745-A757 HydrophobicContact CD2-CB 4.25Å; Y745-A757 HydrophobicContact CE2-CB 3.96Å; Y745-A757 WeakPolarHBondContact CE2-O 3.37Å; Y745-F760 HydrophobicContact CE2-CD1 4.33Å; Y745-F760 WeakPolarHBondContact OH-CD1 3.44Å
746	P	81.6	Confident	86.6	Confident	83 Å²	83	68 Å²	68	54%	0.539	36%	0.357	S	S	.	.			trans	-60	148	171	-24.5	35.8	0	0	0	112.8	N748 V749 M750	P746-N748 VanDerWaalsContact C-N 3.31Å; P746-N748 WeakPolarHBondContact CB-OD1 3.43Å; P746-N748 PolarHBondContact O-N 2.7Å; P746-V749 WeakPolarHBondContact O-CB 3.2Å; P746-V749 PolarHBondContact O-N 2.73Å; P746-M750 PolarHBondContact O-N 3.02Å
747	K	80.4	Confident	86.2	Confident	111 Å²	111	68 Å²	68	48%	0.483	36%	0.358	S	S	.	.	H	α-helix	trans	-53.3	-41.7	-171.5	-62.5	-174.1	160.3	-158.5	0	114.3	V749 M750 D751 D808	K747-V749 PolarHBondContact O-N 3.5Å; K747-V749 VanDerWaalsContact O-N 3.13Å; K747-M750 CarbonylContact O-C 3.5Å; K747-M750 WeakPolarHBondContact O-CA 3.22Å; K747-M750 WeakPolarHBondContact O-CB 3.47Å; K747-M750 PolarHBondContact O-N 3.44Å; K747-D751 PolarHBondContact O-N 2.66Å; K747-D808 WeakPolarHBondContact CD-OD2 3.41Å; K747-D808 WeakPolarHBondContact CE-OD1 3.22Å; K747-D808 VanDerWaalsContact CE-OD2 3.23Å; K747-D808 WeakPolarHBondContact CE-OD2 3.41Å; K747-D808 WeakPolarHBondContact CG-OD2 3.17Å; K747-D808 IonicContact NZ-OD1 3.66Å; K747-D808 PolarHBondContact NZ-OD1 2.86Å; K747-D808 IonicContact NZ-OD2 3.58Å
748	N	79.4	Confident	85.9	Confident	124 Å²	124	64.4 Å²	64.4	66%	0.663	34%	0.337	S	S	*	.	H	α-helix	trans	-62.8	-18.4	177.3	67.3	-34.6	0	0	0	115	P746 D751	P746-N748 VanDerWaalsContact C-N 3.31Å; P746-N748 WeakPolarHBondContact CB-OD1 3.43Å; P746-N748 PolarHBondContact O-N 2.7Å; N748-D751 WeakPolarHBondContact CA-OD2 3.31Å
749	V	79.6	Confident	85.7	Confident	45 Å²	45	62 Å²	62	27%	0.273	33%	0.327	S	S	.	.	H	α-helix	trans	-83.7	-31.5	170.4	-177.4	0	0	0	0	110.7	Y745 P746 K747 S755 A757	Y745-V749 HydrophobicContact CG-CG1 4.44Å; P746-V749 WeakPolarHBondContact O-CB 3.2Å; P746-V749 PolarHBondContact O-N 2.73Å; K747-V749 PolarHBondContact O-N 3.5Å; K747-V749 VanDerWaalsContact O-N 3.13Å; V749-S755 PolarHBondContact O-OG 3.29Å; V749-A757 HydrophobicContact CG1-CB 3.57Å
750	M	82.1	Confident	85.7	Confident	18 Å²	18	61.5 Å²	61.5	9%	0.089	33%	0.325	C	S	.	.	H	α-helix	trans	-82.6	-26.6	-177.1	-62.7	-57.1	-71.8	0	0	113.9	Y745 P746 K747 N752 Y758 Y761 T807	Y745-M750 HydrophobicContact CD2-SD 4.04Å; Y745-M750 HydrophobicContact CG-SD 4.41Å; P746-M750 PolarHBondContact O-N 3.02Å; K747-M750 CarbonylContact O-C 3.5Å; K747-M750 WeakPolarHBondContact O-CA 3.22Å; K747-M750 WeakPolarHBondContact O-CB 3.47Å; K747-M750 PolarHBondContact O-N 3.44Å; M750-N752 PolarHBondContact O-N 3.28Å; M750-Y758 HydrophobicContact CB-CD2 4.45Å; M750-Y758 HydrophobicContact CE-CD2 3.53Å; M750-Y758 HydrophobicContact CE-CE2 3.98Å; M750-Y758 HydrophobicContact CE-CG 4.47Å; M750-Y758 VanDerWaalsContact O-CD2 3.23Å; M750-Y758 WeakPolarHBondContact O-CD2 3.46Å; M750-Y758 HydrophobicContact SD-CD2 4.12Å; M750-Y761 HydrophobicContact CE-CD1 3.24Å; M750-Y761 HydrophobicContact CE-CD2 4.42Å; M750-Y761 HydrophobicContact CE-CE1 3.67Å; M750-Y761 HydrophobicContact CE-CG 3.66Å; M750-T807 HydrophobicContact CE-CG2 4.02Å
751	D	80.9	Confident	85.6	Confident	118 Å²	118	60.7 Å²	60.7	63%	0.631	32%	0.32	S	S	*	.	S	Bend	trans	-53.9	-38.9	176.3	-69.7	-37.1	0	0	0	112.4	K747 N748 K753	K747-D751 PolarHBondContact O-N 2.66Å; N748-D751 WeakPolarHBondContact CA-OD2 3.31Å; D751-K753 PolarHBondContact O-N 3.13Å; D751-K753 VanDerWaalsContact O-N 3.16Å
752	N	83.8	Confident	85.6	Confident	91 Å²	91	57.6 Å²	57.6	49%	0.487	31%	0.307	S	S	.	.			trans	-83.7	91.9	177	-175.8	-1.5	0	0	0	111	M750 N754 S755	M750-N752 PolarHBondContact O-N 3.28Å; N752-N754 PolarHBondContact O-N 3.16Å; N752-N754 VanDerWaalsContact O-N 3.07Å; N752-N754 PolarHBondContact OD1-N 3.19Å; N752-S755 VanDerWaalsContact O-CB 3.25Å; N752-S755 WeakPolarHBondContact O-CB 3.18Å; N752-S755 PolarHBondContact O-N 3.14Å; N752-S755 PolarHBondContact O-OG 3.12Å; N752-S755 PolarHBondContact OD1-N 3.2Å
753	K	85.1	Confident	85.7	Confident	117 Å²	117	57.8 Å²	57.8	51%	0.509	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.9	-18.3	176.2	-60	-160	175.3	-153.9	0	115.1	D751 Y758 E812	D751-K753 PolarHBondContact O-N 3.13Å; D751-K753 VanDerWaalsContact O-N 3.16Å; K753-Y758 HydrophobicContact CB-CD1 4.2Å; K753-Y758 HydrophobicContact CB-CE1 3.86Å; K753-Y758 HydrophobicContact CD-CE1 4.47Å; K753-Y758 HydrophobicContact CG-CE1 4.05Å; K753-Y758 HydrophobicContact CG-CE2 4.22Å; K753-Y758 WeakPolarHBondContact O-CD1 3.47Å; K753-E812 IonicContact NZ-OE2 2.88Å; K753-E812 PolarHBondContact NZ-OE2 2.83Å
754	N	84.5	Confident	86	Confident	145 Å²	145	58.1 Å²	58.1	78%	0.775	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.6	3.2	176.2	-67.2	-17.5	0	0	0	112.9	N752	N752-N754 PolarHBondContact O-N 3.16Å; N752-N754 VanDerWaalsContact O-N 3.07Å; N752-N754 PolarHBondContact OD1-N 3.19Å
755	S	87.1	Confident	86.5	Confident	23 Å²	23	52.9 Å²	52.9	16%	0.161	28%	0.279	C	S	.	.	S	Bend	trans	-74	147.6	176.2	73.5	0	0	0	0	111.9	V749 N752 A757 Y758 L759	V749-S755 PolarHBondContact O-OG 3.29Å; N752-S755 VanDerWaalsContact O-CB 3.25Å; N752-S755 WeakPolarHBondContact O-CB 3.18Å; N752-S755 PolarHBondContact O-N 3.14Å; N752-S755 PolarHBondContact O-OG 3.12Å; N752-S755 PolarHBondContact OD1-N 3.2Å; S755-A757 VanDerWaalsContact C-N 3.28Å; S755-A757 PolarHBondContact O-N 2.89Å; S755-Y758 PolarHBondContact O-N 2.84Å; S755-Y758 VanDerWaalsContact OG-CB 3.23Å; S755-Y758 WeakPolarHBondContact OG-CB 3.32Å; S755-Y758 PolarHBondContact OG-N 2.98Å; S755-L759 WeakPolarHBondContact O-CG 3.28Å; S755-L759 PolarHBondContact O-N 3.32Å
756	G	86.8	Confident	87	Confident	31 Å²	31	51.5 Å²	51.5	32%	0.32	27%	0.274	S	S	.	.	H	α-helix	trans	-59.7	-38.7	176.5	0	0	0	0	0	112.9	F488 L759 F760	F488-G756 VanDerWaalsContact CZ-CA 3.48Å; G756-L759 PolarHBondContact O-N 3.28Å; G756-F760 WeakPolarHBondContact O-CB 3.41Å; G756-F760 PolarHBondContact O-N 2.93Å
757	A	87.4	Confident	87.6	Confident	3 Å²	3	48.4 Å²	48.4	3%	0.025	25%	0.254	C	S	.	.	H	α-helix	trans	-62.5	-44.2	177.4	0	0	0	0	0	112.2	F488 Y745 V749 S755 F760 Y761	F488-A757 HydrophobicContact CB-CB 4.08Å; F488-A757 HydrophobicContact CD1-CB 3.92Å; F488-A757 HydrophobicContact CD2-CB 4.3Å; F488-A757 HydrophobicContact CG-CB 3.8Å; Y745-A757 HydrophobicContact CD2-CB 4.25Å; Y745-A757 HydrophobicContact CE2-CB 3.96Å; Y745-A757 WeakPolarHBondContact CE2-O 3.37Å; V749-A757 HydrophobicContact CG1-CB 3.57Å; S755-A757 VanDerWaalsContact C-N 3.28Å; S755-A757 PolarHBondContact O-N 2.89Å; A757-F760 PolarHBondContact O-N 3.43Å; A757-Y761 WeakPolarHBondContact O-CB 3.2Å; A757-Y761 PolarHBondContact O-N 3.01Å
758	Y	88.1	Confident	88.3	Confident	22 Å²	22	43.3 Å²	43.3	9%	0.086	23%	0.233	C	C	.	.	H	α-helix	trans	-62.3	-47.6	174.3	-177.4	-91.2	0	0	0	111.6	M750 K753 S755 F760 Y761 Q762 E812	M750-Y758 HydrophobicContact CB-CD2 4.45Å; M750-Y758 HydrophobicContact CE-CD2 3.53Å; M750-Y758 HydrophobicContact CE-CE2 3.98Å; M750-Y758 HydrophobicContact CE-CG 4.47Å; M750-Y758 VanDerWaalsContact O-CD2 3.23Å; M750-Y758 WeakPolarHBondContact O-CD2 3.46Å; M750-Y758 HydrophobicContact SD-CD2 4.12Å; K753-Y758 HydrophobicContact CB-CD1 4.2Å; K753-Y758 HydrophobicContact CB-CE1 3.86Å; K753-Y758 HydrophobicContact CD-CE1 4.47Å; K753-Y758 HydrophobicContact CG-CE1 4.05Å; K753-Y758 HydrophobicContact CG-CE2 4.22Å; K753-Y758 WeakPolarHBondContact O-CD1 3.47Å; S755-Y758 PolarHBondContact O-N 2.84Å; S755-Y758 VanDerWaalsContact OG-CB 3.23Å; S755-Y758 WeakPolarHBondContact OG-CB 3.32Å; S755-Y758 PolarHBondContact OG-N 2.98Å; Y758-F760 VanDerWaalsContact C-N 3.29Å; Y758-F760 PolarHBondContact O-N 3.23Å; Y758-Y761 PolarHBondContact O-N 3.33Å; Y758-Q762 HydrophobicContact CD1-CG 3.97Å; Y758-Q762 HydrophobicContact CE1-CG 3.74Å; Y758-Q762 VanDerWaalsContact O-CG 3.29Å; Y758-Q762 WeakPolarHBondContact O-CG 3.45Å; Y758-Q762 PolarHBondContact O-N 2.7Å; Y758-Q762 PolarHBondContact OH-NE2 3.26Å; Y758-E812 VanDerWaalsContact OH-CD 3.3Å; Y758-E812 PolarHBondContact OH-OE1 3.34Å; Y758-E812 VanDerWaalsContact OH-OE1 3.13Å; Y758-E812 PolarHBondContact OH-OE2 3.1Å
759	L	89.7	Confident	89.1	Confident	75 Å²	75	37.8 Å²	37.8	39%	0.393	20%	0.203	S	C	.	.	H	α-helix	trans	-63.6	-34.7	179.4	-65.7	172.5	0	0	0	112.4	S755 G756 R763	S755-L759 WeakPolarHBondContact O-CG 3.28Å; S755-L759 PolarHBondContact O-N 3.32Å; G756-L759 PolarHBondContact O-N 3.28Å; L759-R763 PolarHBondContact O-N 3.03Å; L759-R763 PolarHBondContact O-NH1 2.65Å
760	F	91.4	Very high	89.9	Confident	0 Å²	0	36.3 Å²	36.3	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-68.1	-47.2	172.6	173	-127.1	0	0	0	112.2	I481 E484 F488 F741 P743 Y745 G756 A757 Y758 Q762 R763 Q764	I481-F760 HydrophobicContact CG2-CZ 4.41Å; E484-F760 HydrophobicContact CB-CD2 4.1Å; E484-F760 HydrophobicContact CB-CE2 3.89Å; E484-F760 HydrophobicContact CB-CZ 4.34Å; E484-F760 HydrophobicContact CG-CB 4.16Å; E484-F760 HydrophobicContact CG-CD1 4.42Å; E484-F760 HydrophobicContact CG-CD2 3.46Å; E484-F760 VanDerWaalsContact CG-CD2 3.46Å; E484-F760 HydrophobicContact CG-CE2 3.79Å; E484-F760 HydrophobicContact CG-CG 3.78Å; E484-F760 HydrophobicContact CG-CZ 4.43Å; E484-F760 WeakPolarHBondContact OE2-CD2 3.38Å; E484-F760 WeakPolarHBondContact OE2-CE2 3.38Å; F488-F760 HydrophobicContact CD2-CB 4.19Å; F488-F760 AromaticContact CD2-CD1 3.95Å; F488-F760 HydrophobicContact CD2-CD1 3.95Å; F488-F760 HydrophobicContact CD2-CG 4.35Å; F488-F760 HydrophobicContact CE2-CB 3.86Å; F488-F760 HydrophobicContact CE2-CD1 4.36Å; F488-F760 HydrophobicContact CE2-CG 4.31Å; F741-F760 HydrophobicContact CD1-CE1 4.44Å; F741-F760 HydrophobicContact CD1-CZ 4.01Å; F741-F760 AromaticContact CE1-CE1 3.93Å; F741-F760 HydrophobicContact CE1-CE1 3.93Å; F741-F760 AromaticContact CE1-CZ 3.91Å; F741-F760 HydrophobicContact CE1-CZ 3.91Å; P743-F760 HydrophobicContact CB-CE1 4.45Å; P743-F760 HydrophobicContact CG-CD1 3.96Å; P743-F760 HydrophobicContact CG-CE1 3.8Å; Y745-F760 HydrophobicContact CE2-CD1 4.33Å; Y745-F760 WeakPolarHBondContact OH-CD1 3.44Å; G756-F760 WeakPolarHBondContact O-CB 3.41Å; G756-F760 PolarHBondContact O-N 2.93Å; A757-F760 PolarHBondContact O-N 3.43Å; Y758-F760 VanDerWaalsContact C-N 3.29Å; Y758-F760 PolarHBondContact O-N 3.23Å; F760-Q762 VanDerWaalsContact C-N 3.28Å; F760-Q762 PolarHBondContact O-N 3.28Å; F760-R763 WeakPolarHBondContact O-CB 3.41Å; F760-R763 PolarHBondContact O-N 2.87Å; F760-R763 VanDerWaalsContact O-N 3.1Å; F760-Q764 HydrophobicContact CD2-CG 4.05Å; F760-Q764 HydrophobicContact CE2-CG 3.77Å; F760-Q764 HydrophobicContact CZ-CG 4.13Å; F760-Q764 WeakPolarHBondContact O-CG 3.49Å; F760-Q764 PolarHBondContact O-N 2.96Å
761	Y	91.4	Very high	90.6	Very high	1 Å²	1	35.4 Å²	35.4	0%	0.004	19%	0.189	C	C	.	.	H	α-helix	trans	-54.5	-44.9	172.7	170	-98.7	0	0	0	111.6	L742 P743 M750 A757 Y758 Q764 F765 A803 T807	L742-Y761 HydrophobicContact CD1-CD2 3.97Å; L742-Y761 HydrophobicContact CD1-CE2 3.89Å; L742-Y761 HydrophobicContact CG-CE2 4.44Å; P743-Y761 VanDerWaalsContact O-CD2 3.3Å; P743-Y761 WeakPolarHBondContact O-CD2 3.34Å; M750-Y761 HydrophobicContact CE-CD1 3.24Å; M750-Y761 HydrophobicContact CE-CD2 4.42Å; M750-Y761 HydrophobicContact CE-CE1 3.67Å; M750-Y761 HydrophobicContact CE-CG 3.66Å; A757-Y761 WeakPolarHBondContact O-CB 3.2Å; A757-Y761 PolarHBondContact O-N 3.01Å; Y758-Y761 PolarHBondContact O-N 3.33Å; Y761-Q764 PolarHBondContact O-N 3.37Å; Y761-F765 WeakPolarHBondContact O-CB 3.38Å; Y761-F765 PolarHBondContact O-N 3.31Å; Y761-A803 HydrophobicContact CE2-CB 4.08Å; Y761-A803 WeakPolarHBondContact OH-CB 3.47Å; Y761-A803 PolarHBondContact OH-O 2.94Å; Y761-T807 HydrophobicContact CE1-CG2 3.79Å; Y761-T807 WeakPolarHBondContact OH-CG2 3.4Å
762	Q	91.8	Very high	91.4	Very high	24 Å²	24	29.8 Å²	29.8	11%	0.112	16%	0.159	C	C	.	.	H	α-helix	trans	-60.4	-47.1	175.1	-66.2	-69.5	-20	0	0	111.5	Y758 F760 Q764 F765 W766 E812	Y758-Q762 HydrophobicContact CD1-CG 3.97Å; Y758-Q762 HydrophobicContact CE1-CG 3.74Å; Y758-Q762 VanDerWaalsContact O-CG 3.29Å; Y758-Q762 WeakPolarHBondContact O-CG 3.45Å; Y758-Q762 PolarHBondContact O-N 2.7Å; Y758-Q762 PolarHBondContact OH-NE2 3.26Å; F760-Q762 VanDerWaalsContact C-N 3.28Å; F760-Q762 PolarHBondContact O-N 3.28Å; Q762-Q764 VanDerWaalsContact C-N 3.3Å; Q762-Q764 PolarHBondContact O-N 3.03Å; Q762-F765 PolarHBondContact O-N 2.84Å; Q762-W766 PolarHBondContact O-N 3Å; Q762-W766 VanDerWaalsContact OE1-NE1 3.16Å; Q762-E812 PolarHBondContact NE2-OE1 2.99Å
763	R	92.3	Very high	92	Very high	25 Å²	25	26.3 Å²	26.3	9%	0.094	15%	0.145	C	C	.	.	H	α-helix	trans	-54.2	-46.6	175.4	-82.6	-174.1	-71.6	-78.3	-0.7	111.7	E484 E545 G546 L759 F760 S767	E484-R763 IonicContact OE1-CZ 3.13Å; E484-R763 IonicContact OE1-NE 3.24Å; E484-R763 PolarHBondContact OE1-NE 3.22Å; E484-R763 IonicContact OE1-NH2 3.22Å; E484-R763 PolarHBondContact OE1-NH2 3.46Å; E484-R763 IonicContact OE2-NE 2.91Å; E545-R763 HydrophobicContact CB-CG 3.74Å; E545-R763 WeakPolarHBondContact OE2-CD 3.48Å; E545-R763 IonicContact OE2-CZ 3.45Å; E545-R763 IonicContact OE2-NE 3.55Å; E545-R763 IonicContact OE2-NH1 2.72Å; E545-R763 PolarHBondContact OE2-NH1 3.49Å; G546-R763 VanDerWaalsContact CA-O 3.31Å; G546-R763 WeakPolarHBondContact CA-O 3.47Å; L759-R763 PolarHBondContact O-N 3.03Å; L759-R763 PolarHBondContact O-NH1 2.65Å; F760-R763 WeakPolarHBondContact O-CB 3.41Å; F760-R763 PolarHBondContact O-N 2.87Å; F760-R763 VanDerWaalsContact O-N 3.1Å; R763-S767 WeakPolarHBondContact O-CB 3.43Å; R763-S767 PolarHBondContact O-N 2.69Å
764	Q	93.6	Very high	92.6	Very high	15 Å²	15	21 Å²	21	7%	0.07	12%	0.122	C	C	.	.	H	α-helix	trans	-70	-41.1	180	-60.1	-46.1	-34.8	0	0	113	F741 L742 F760 Y761 Q762 W766 S767 C768	F741-Q764 VanDerWaalsContact O-CB 3.24Å; F741-Q764 WeakPolarHBondContact O-CB 3.32Å; F741-Q764 WeakPolarHBondContact O-CG 3.37Å; L742-Q764 HydrophobicContact CD1-CB 3.77Å; F760-Q764 HydrophobicContact CD2-CG 4.05Å; F760-Q764 HydrophobicContact CE2-CG 3.77Å; F760-Q764 HydrophobicContact CZ-CG 4.13Å; F760-Q764 WeakPolarHBondContact O-CG 3.49Å; F760-Q764 PolarHBondContact O-N 2.96Å; Y761-Q764 PolarHBondContact O-N 3.37Å; Q762-Q764 VanDerWaalsContact C-N 3.3Å; Q762-Q764 PolarHBondContact O-N 3.03Å; Q764-W766 PolarHBondContact O-N 3.44Å; Q764-S767 WeakPolarHBondContact O-CB 3.45Å; Q764-S767 PolarHBondContact O-N 3.14Å; Q764-C768 PolarHBondContact O-N 3.4Å; Q764-C768 PolarHBondContact O-SG 2.92Å
765	F	94.7	Very high	93.3	Very high	0 Å²	0	14.3 Å²	14.3	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-57.6	-50.3	175.7	-176	-86.9	0	0	0	111.3	L742 Y761 Q762 S767 C768 V769 I800 A803 L804 K816	L742-F765 HydrophobicContact CD1-CB 4.15Å; Y761-F765 WeakPolarHBondContact O-CB 3.38Å; Y761-F765 PolarHBondContact O-N 3.31Å; Q762-F765 PolarHBondContact O-N 2.84Å; F765-S767 VanDerWaalsContact C-N 3.29Å; F765-S767 PolarHBondContact O-N 2.95Å; F765-C768 WeakPolarHBondContact O-CB 3.49Å; F765-C768 PolarHBondContact O-N 3.18Å; F765-C768 VanDerWaalsContact O-N 3.14Å; F765-V769 HydrophobicContact CD1-CG2 4.1Å; F765-V769 HydrophobicContact CE1-CG2 3.62Å; F765-V769 HydrophobicContact CZ-CG2 4.11Å; F765-V769 WeakPolarHBondContact O-CG2 3.49Å; F765-V769 PolarHBondContact O-N 2.96Å; F765-I800 HydrophobicContact CE2-CG2 3.85Å; F765-I800 HydrophobicContact CZ-CG2 3.85Å; F765-A803 HydrophobicContact CD2-CB 4.32Å; F765-L804 HydrophobicContact CE2-CD2 4.1Å; F765-L804 HydrophobicContact CE2-CG 3.93Å; F765-L804 HydrophobicContact CZ-CD1 4.48Å; F765-L804 HydrophobicContact CZ-CD2 4.04Å; F765-L804 HydrophobicContact CZ-CG 4.14Å; F765-K816 HydrophobicContact CD1-CD 4.16Å; F765-K816 HydrophobicContact CD1-CG 4.15Å; F765-K816 HydrophobicContact CE1-CB 3.75Å; F765-K816 HydrophobicContact CE1-CD 3.76Å; F765-K816 HydrophobicContact CE1-CG 3.49Å; F765-K816 VanDerWaalsContact CE1-CG 3.49Å; F765-K816 HydrophobicContact CZ-CB 3.85Å; F765-K816 HydrophobicContact CZ-CD 3.97Å; F765-K816 HydrophobicContact CZ-CG 3.98Å
766	W	94.9	Very high	93.7	Very high	10 Å²	10	13.8 Å²	13.8	4%	0.038	8%	0.081	C	C	.	.	H	α-helix	trans	-69.2	-26.2	178.8	-67	111.8	0	0	0	112.8	K544 L547 Q762 Q764 V769 K770 K816 K819	K544-W766 HydrophobicContact CB-CB 4.19Å; K544-W766 HydrophobicContact CB-CD2 3.77Å; K544-W766 HydrophobicContact CB-CE3 4.43Å; K544-W766 HydrophobicContact CB-CG 3.59Å; K544-W766 HydrophobicContact CD-CZ2 4.17Å; K544-W766 HydrophobicContact CG-CD2 3.7Å; K544-W766 HydrophobicContact CG-CE3 4.09Å; K544-W766 HydrophobicContact CG-CG 4.1Å; K544-W766 HydrophobicContact CG-CH2 4.34Å; K544-W766 HydrophobicContact CG-CZ2 3.99Å; K544-W766 HydrophobicContact CG-CZ3 4.38Å; L547-W766 HydrophobicContact CD2-CB 4.4Å; L547-W766 HydrophobicContact CD2-CE3 4.33Å; L547-W766 HydrophobicContact CG-CB 4.44Å; Q762-W766 PolarHBondContact O-N 3Å; Q762-W766 VanDerWaalsContact OE1-NE1 3.16Å; Q764-W766 PolarHBondContact O-N 3.44Å; W766-V769 HydrophobicContact CE3-CB 4.31Å; W766-V769 HydrophobicContact CE3-CG1 4.42Å; W766-V769 HydrophobicContact CE3-CG2 4.43Å; W766-V769 HydrophobicContact CZ3-CG1 4.47Å; W766-K770 WeakPolarHBondContact O-CB 3.47Å; W766-K770 PolarHBondContact O-N 3.28Å; W766-K816 HydrophobicContact CH2-CG 4Å; W766-K816 HydrophobicContact CZ2-CG 3.71Å; W766-K819 HydrophobicContact CH2-CB 4.15Å; W766-K819 HydrophobicContact CH2-CG 3.99Å; W766-K819 HydrophobicContact CZ3-CB 3.72Å; W766-K819 HydrophobicContact CZ3-CG 3.82Å
767	S	95.2	Very high	94.2	Very high	19 Å²	19	15 Å²	15	13%	0.133	8%	0.079	C	C	.	.	H	α-helix	trans	-66.9	-39.5	169.4	-164.8	0	0	0	0	112	G546 R763 Q764 F765 K770 L771	G546-S767 WeakPolarHBondContact O-CA 3.42Å; R763-S767 WeakPolarHBondContact O-CB 3.43Å; R763-S767 PolarHBondContact O-N 2.69Å; Q764-S767 WeakPolarHBondContact O-CB 3.45Å; Q764-S767 PolarHBondContact O-N 3.14Å; F765-S767 VanDerWaalsContact C-N 3.29Å; F765-S767 PolarHBondContact O-N 2.95Å; S767-K770 PolarHBondContact O-N 3.45Å; S767-L771 PolarHBondContact O-N 3.01Å
768	C	95.7	Very high	94.6	Very high	4 Å²	4	15 Å²	15	3%	0.027	8%	0.078	C	C	.	.	H	α-helix	trans	-66.4	-41.1	174.7	-60.6	0	0	0	0	112	Q764 F765 L771 L772 I800	Q764-C768 PolarHBondContact O-N 3.4Å; Q764-C768 PolarHBondContact O-SG 2.92Å; F765-C768 WeakPolarHBondContact O-CB 3.49Å; F765-C768 PolarHBondContact O-N 3.18Å; F765-C768 VanDerWaalsContact O-N 3.14Å; C768-L771 PolarHBondContact O-N 3.47Å; C768-L772 PolarHBondContact O-N 3.1Å; C768-I800 HydrophobicContact CB-CD1 4.26Å; C768-I800 HydrophobicContact CB-CG1 3.83Å
769	V	95.9	Very high	94.9	Very high	7 Å²	7	16 Å²	16	4%	0.042	8%	0.084	C	C	.	.	H	α-helix	trans	-65.2	-39.8	174.9	177.2	0	0	0	0	111.4	F765 W766 L772 G773 I800 K819 V820	F765-V769 HydrophobicContact CD1-CG2 4.1Å; F765-V769 HydrophobicContact CE1-CG2 3.62Å; F765-V769 HydrophobicContact CZ-CG2 4.11Å; F765-V769 WeakPolarHBondContact O-CG2 3.49Å; F765-V769 PolarHBondContact O-N 2.96Å; W766-V769 HydrophobicContact CE3-CB 4.31Å; W766-V769 HydrophobicContact CE3-CG1 4.42Å; W766-V769 HydrophobicContact CE3-CG2 4.43Å; W766-V769 HydrophobicContact CZ3-CG1 4.47Å; V769-L772 WeakPolarHBondContact O-CB 3.35Å; V769-L772 PolarHBondContact O-N 3.01Å; V769-G773 PolarHBondContact O-N 3.19Å; V769-I800 HydrophobicContact CG2-CD1 4.24Å; V769-K819 HydrophobicContact CG1-CB 4.48Å; V769-V820 HydrophobicContact CG2-CG2 3.93Å
770	K	95.9	Very high	94.9	Very high	14 Å²	14	15.9 Å²	15.9	6%	0.061	10%	0.102	C	C	.	.	H	α-helix	trans	-59.9	-45.8	171.2	176.2	-168.8	55.9	161.8	0	111.4	L547 S548 L691 S693 W766 S767 L772 G773 N774	L547-K770 HydrophobicContact CD2-CB 4.2Å; S548-K770 PolarHBondContact O-NZ 2.91Å; L691-K770 VanDerWaalsContact O-CE 3.28Å; L691-K770 WeakPolarHBondContact O-CE 3.32Å; L691-K770 PolarHBondContact O-NZ 3.13Å; S693-K770 WeakPolarHBondContact OG-CG 3.34Å; W766-K770 WeakPolarHBondContact O-CB 3.47Å; W766-K770 PolarHBondContact O-N 3.28Å; S767-K770 PolarHBondContact O-N 3.45Å; K770-L772 VanDerWaalsContact C-N 3.35Å; K770-L772 PolarHBondContact O-N 3.34Å; K770-G773 PolarHBondContact O-N 3.3Å; K770-N774 PolarHBondContact O-N 2.82Å; K770-N774 PolarHBondContact O-OD1 3.26Å
771	L	97	Very high	95	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-62.1	-41.9	177.6	-176.5	58.9	0	0	0	111.7	P690 L691 T735 L736 V740 S767 C768 G773 N774 I775	P690-L771 HydrophobicContact CB-CD1 3.88Å; P690-L771 WeakPolarHBondContact O-CD1 3.3Å; L691-L771 HydrophobicContact CD2-CB 3.92Å; L691-L771 HydrophobicContact CD2-CD1 4.26Å; L691-L771 HydrophobicContact CD2-CD2 4.28Å; L691-L771 HydrophobicContact CD2-CG 4.38Å; L691-L771 HydrophobicContact CG-CD1 4.36Å; T735-L771 HydrophobicContact CG2-CD1 4.2Å; T735-L771 HydrophobicContact CG2-CD2 4.03Å; L736-L771 HydrophobicContact CD2-CD2 3.57Å; L736-L771 HydrophobicContact CD2-CG 4.46Å; L736-L771 HydrophobicContact CG-CD2 4.24Å; V740-L771 HydrophobicContact CG2-CD2 3.46Å; V740-L771 VanDerWaalsContact CG2-CD2 3.46Å; S767-L771 PolarHBondContact O-N 3.01Å; C768-L771 PolarHBondContact O-N 3.47Å; L771-G773 VanDerWaalsContact C-N 3.34Å; L771-G773 PolarHBondContact O-N 2.96Å; L771-N774 PolarHBondContact O-N 3.35Å; L771-I775 HydrophobicContact CD1-CD1 4.21Å; L771-I775 HydrophobicContact CD1-CG1 4.26Å; L771-I775 HydrophobicContact CG-CD1 3.93Å; L771-I775 HydrophobicContact CG-CG1 4.42Å; L771-I775 VanDerWaalsContact O-CG1 3.29Å; L771-I775 WeakPolarHBondContact O-CG1 3.48Å; L771-I775 PolarHBondContact O-N 2.68Å
772	L	97.5	Very high	95.1	Very high	0 Å²	0	18 Å²	18	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-56.8	-46.9	173.1	178.5	63.1	0	0	0	111.5	C768 V769 K770 I775 I776 A791 T795 I800 V820	C768-L772 PolarHBondContact O-N 3.1Å; V769-L772 WeakPolarHBondContact O-CB 3.35Å; V769-L772 PolarHBondContact O-N 3.01Å; K770-L772 VanDerWaalsContact C-N 3.35Å; K770-L772 PolarHBondContact O-N 3.34Å; L772-I775 PolarHBondContact O-N 3.36Å; L772-I776 HydrophobicContact CD1-CD1 3.78Å; L772-I776 HydrophobicContact CD1-CG1 4.37Å; L772-I776 HydrophobicContact CG-CD1 3.86Å; L772-I776 VanDerWaalsContact O-CG1 3.29Å; L772-I776 WeakPolarHBondContact O-CG1 3.35Å; L772-I776 PolarHBondContact O-N 3.41Å; L772-A791 HydrophobicContact CD1-CB 3.76Å; L772-A791 VanDerWaalsContact CD1-O 3.26Å; L772-A791 WeakPolarHBondContact CD1-O 3.09Å; L772-T795 HydrophobicContact CB-CG2 4.05Å; L772-T795 HydrophobicContact CD1-CG2 4.44Å; L772-I800 HydrophobicContact CB-CD1 4.13Å; L772-I800 HydrophobicContact CD2-CD1 3.88Å; L772-V820 HydrophobicContact CD2-CG1 4.01Å
773	G	96.8	Very high	95.2	Very high	18 Å²	18	20.3 Å²	20.3	19%	0.186	13%	0.132	C	C	.	.	H	α-helix	trans	-64	-36.5	175.2	0	0	0	0	0	113.9	V769 K770 L771 Q777	V769-G773 PolarHBondContact O-N 3.19Å; K770-G773 PolarHBondContact O-N 3.3Å; L771-G773 VanDerWaalsContact C-N 3.34Å; L771-G773 PolarHBondContact O-N 2.96Å; G773-Q777 PolarHBondContact O-N 2.87Å
774	N	97.6	Very high	95.2	Very high	5 Å²	5	24.1 Å²	24.1	3%	0.027	15%	0.147	C	C	.	.	H	α-helix	trans	-69.3	-37.2	174.6	-72.3	-0.5	0	0	0	112.2	P690 S693 T696 K770 L771 Q777	P690-N774 WeakPolarHBondContact O-CB 3.4Å; P690-N774 PolarHBondContact O-ND2 2.91Å; S693-N774 WeakPolarHBondContact CB-OD1 3.39Å; S693-N774 PolarHBondContact N-ND2 3.43Å; S693-N774 PolarHBondContact OG-ND2 3.23Å; S693-N774 PolarHBondContact OG-OD1 2.96Å; T696-N774 HydrophobicContact CG2-CB 4.14Å; T696-N774 WeakPolarHBondContact CG2-O 3.45Å; K770-N774 PolarHBondContact O-N 2.82Å; K770-N774 PolarHBondContact O-OD1 3.26Å; L771-N774 PolarHBondContact O-N 3.35Å; N774-Q777 PolarHBondContact OD1-NE2 2.69Å
775	I	97.9	Very high	95.1	Very high	4 Å²	4	27.7 Å²	27.7	2%	0.021	17%	0.174	C	C	.	.	H	α-helix	trans	-66.4	-42.7	174.5	-70.2	169.3	0	0	0	110.3	T732 L736 L771 L772 Q777 W778 L787 L790 A791 T795	T732-I775 HydrophobicContact CG2-CD1 3.78Å; T732-I775 HydrophobicContact CG2-CG1 3.75Å; L736-I775 HydrophobicContact CD1-CD1 4.1Å; L736-I775 HydrophobicContact CD2-CD1 4.38Å; L771-I775 HydrophobicContact CD1-CD1 4.21Å; L771-I775 HydrophobicContact CD1-CG1 4.26Å; L771-I775 HydrophobicContact CG-CD1 3.93Å; L771-I775 HydrophobicContact CG-CG1 4.42Å; L771-I775 VanDerWaalsContact O-CG1 3.29Å; L771-I775 WeakPolarHBondContact O-CG1 3.48Å; L771-I775 PolarHBondContact O-N 2.68Å; L772-I775 PolarHBondContact O-N 3.36Å; I775-Q777 VanDerWaalsContact C-N 3.27Å; I775-Q777 PolarHBondContact O-N 3.33Å; I775-W778 WeakPolarHBondContact O-CB 3.4Å; I775-W778 VanDerWaalsContact O-CD1 3.3Å; I775-W778 PolarHBondContact O-N 2.71Å; I775-L787 HydrophobicContact CG2-CD1 3.85Å; I775-L787 VanDerWaalsContact O-CD1 3.25Å; I775-L787 WeakPolarHBondContact O-CD1 3.44Å; I775-L790 HydrophobicContact CG2-CB 3.86Å; I775-A791 HydrophobicContact CG2-CB 3.95Å; I775-T795 WeakPolarHBondContact CD1-OG1 3.45Å
776	I	96.9	Very high	95.2	Very high	12 Å²	12	28.9 Å²	28.9	6%	0.062	18%	0.181	C	C	.	.	H	α-helix	trans	-69.1	-21.4	-178.2	-68.8	165	0	0	0	113.1	L772 W778 D779 A791 C823 L824 P825	L772-I776 HydrophobicContact CD1-CD1 3.78Å; L772-I776 HydrophobicContact CD1-CG1 4.37Å; L772-I776 HydrophobicContact CG-CD1 3.86Å; L772-I776 VanDerWaalsContact O-CG1 3.29Å; L772-I776 WeakPolarHBondContact O-CG1 3.35Å; L772-I776 PolarHBondContact O-N 3.41Å; I776-W778 PolarHBondContact O-N 3.41Å; I776-D779 WeakPolarHBondContact O-CB 3.36Å; I776-D779 PolarHBondContact O-N 2.99Å; I776-A791 HydrophobicContact CD1-CB 4.46Å; I776-A791 HydrophobicContact CG1-CB 3.99Å; I776-C823 HydrophobicContact CD1-CB 3.94Å; I776-C823 WeakPolarHBondContact CG2-O 3.25Å; I776-L824 HydrophobicContact CD1-CD2 3.99Å; I776-P825 HydrophobicContact CG2-CG 3.5Å
777	Q	96.8	Very high	95.2	Very high	58 Å²	58	28.4 Å²	28.4	27%	0.271	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-15.1	171.4	-77.5	173.9	68.6	0	0	113.8	T697 V700 G773 N774 I775 D779	T697-Q777 PolarHBondContact OG1-OE1 3.44Å; V700-Q777 HydrophobicContact CG1-CB 4.37Å; V700-Q777 VanDerWaalsContact CG1-O 3.22Å; V700-Q777 WeakPolarHBondContact CG1-O 3.44Å; V700-Q777 HydrophobicContact CG2-CB 4.18Å; G773-Q777 PolarHBondContact O-N 2.87Å; N774-Q777 PolarHBondContact OD1-NE2 2.69Å; I775-Q777 VanDerWaalsContact C-N 3.27Å; I775-Q777 PolarHBondContact O-N 3.33Å; Q777-D779 VanDerWaalsContact C-N 3.27Å; Q777-D779 PolarHBondContact O-N 2.65Å
778	W	96.4	Very high	95.2	Very high	2 Å²	2	28.3 Å²	28.3	1%	0.008	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.4	8.4	174.8	-61.8	92.9	0	0	0	114.3	W688 L699 V700 I703 I728 I775 I776 I781 L782 L787	W688-W778 AromaticContact CH2-CE2 3.96Å; W688-W778 AromaticContact CH2-CZ2 3.74Å; W688-W778 HydrophobicContact CH2-CZ2 3.74Å; W688-W778 AromaticContact CH2-NE1 3.74Å; W688-W778 AromaticContact CZ2-CZ2 3.77Å; W688-W778 HydrophobicContact CZ2-CZ2 3.77Å; W688-W778 AromaticContact CZ2-NE1 3.76Å; W688-W778 HydrophobicContact CZ3-CZ2 4.24Å; L699-W778 HydrophobicContact CD2-CH2 3.72Å; L699-W778 HydrophobicContact CD2-CZ2 3.99Å; L699-W778 HydrophobicContact CG-CH2 3.85Å; L699-W778 HydrophobicContact CG-CZ2 4.39Å; V700-W778 HydrophobicContact CG2-CD2 3.7Å; V700-W778 HydrophobicContact CG2-CE3 3.92Å; V700-W778 HydrophobicContact CG2-CG 4.24Å; V700-W778 HydrophobicContact CG2-CH2 4.13Å; V700-W778 HydrophobicContact CG2-CZ2 3.91Å; V700-W778 HydrophobicContact CG2-CZ3 4.11Å; I703-W778 HydrophobicContact CD1-CH2 3.89Å; I703-W778 HydrophobicContact CD1-CZ3 3.68Å; I728-W778 HydrophobicContact CB-CH2 4.46Å; I728-W778 HydrophobicContact CD1-CE3 4.38Å; I728-W778 HydrophobicContact CD1-CH2 3.48Å; I728-W778 VanDerWaalsContact CD1-CH2 3.48Å; I728-W778 HydrophobicContact CD1-CZ2 4.44Å; I728-W778 HydrophobicContact CD1-CZ3 3.47Å; I728-W778 VanDerWaalsContact CD1-CZ3 3.47Å; I728-W778 HydrophobicContact CG1-CH2 3.78Å; I728-W778 HydrophobicContact CG1-CZ2 4.31Å; I728-W778 HydrophobicContact CG1-CZ3 4.19Å; I728-W778 HydrophobicContact CG2-CD2 3.99Å; I728-W778 HydrophobicContact CG2-CE3 4.11Å; I728-W778 HydrophobicContact CG2-CH2 3.81Å; I728-W778 HydrophobicContact CG2-CZ2 3.69Å; I728-W778 HydrophobicContact CG2-CZ3 4.04Å; I775-W778 WeakPolarHBondContact O-CB 3.4Å; I775-W778 VanDerWaalsContact O-CD1 3.3Å; I775-W778 PolarHBondContact O-N 2.71Å; I776-W778 PolarHBondContact O-N 3.41Å; W778-I781 HydrophobicContact CE3-CB 4.18Å; W778-I781 HydrophobicContact CE3-CD1 3.9Å; W778-I781 HydrophobicContact CE3-CG2 3.92Å; W778-I781 HydrophobicContact CZ3-CD1 4.19Å; W778-I781 HydrophobicContact CZ3-CG2 4.24Å; W778-I781 PolarHBondContact O-N 3.26Å; W778-L782 HydrophobicContact CB-CB 4.37Å; W778-L782 HydrophobicContact CB-CD1 3.68Å; W778-L782 HydrophobicContact CB-CG 3.92Å; W778-L782 HydrophobicContact CG-CD1 4.08Å; W778-L782 PolarHBondContact O-N 3.33Å; W778-L787 HydrophobicContact CB-CD1 4.43Å
779	D	93.7	Very high	95.2	Very high	42 Å²	42	30.7 Å²	30.7	23%	0.225	19%	0.189	C	C	.	.	B	Isolated β-bridge	trans	-59.8	133.2	171.4	-156.6	40.8	0	0	0	110.4	I776 Q777 I781 L787 P825 W828	I776-D779 WeakPolarHBondContact O-CB 3.36Å; I776-D779 PolarHBondContact O-N 2.99Å; Q777-D779 VanDerWaalsContact C-N 3.27Å; Q777-D779 PolarHBondContact O-N 2.65Å; D779-I781 PolarHBondContact O-N 2.96Å; D779-L787 VanDerWaalsContact CA-CD2 3.4Å; D779-L787 HydrophobicContact CB-CD2 3.8Å; D779-L787 WeakPolarHBondContact OD1-CD2 3.04Å; D779-P825 HydrophobicContact CB-CG 4.44Å; D779-P825 WeakPolarHBondContact OD2-CG 3.38Å; D779-W828 VanDerWaalsContact CG-NE1 3.35Å; D779-W828 PolarHBondContact OD1-NE1 3.06Å; D779-W828 PolarHBondContact OD2-NE1 2.84Å
780	G	89.7	Confident	95.3	Very high	74 Å²	74	30.4 Å²	30.4	76%	0.763	19%	0.188	S	C	*	.	T	Hydrogen-bonded Turn	trans	79.8	-12.5	-171.3	0	0	0	0	0	115.9
781	I	92.9	Very high	95.3	Very high	29 Å²	29	29.8 Å²	29.8	15%	0.149	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.4	-50.5	170.8	-60.5	171.3	0	0	0	110.7	V700 I703 L725 W778 D779	V700-I781 HydrophobicContact CG1-CD1 4.13Å; I703-I781 HydrophobicContact CB-CD1 4.11Å; I703-I781 HydrophobicContact CG2-CD1 3.83Å; I703-I781 HydrophobicContact CG2-CG1 4.26Å; I703-I781 HydrophobicContact CG2-CG2 4Å; L725-I781 HydrophobicContact CD2-CG2 3.57Å; W778-I781 HydrophobicContact CE3-CB 4.18Å; W778-I781 HydrophobicContact CE3-CD1 3.9Å; W778-I781 HydrophobicContact CE3-CG2 3.92Å; W778-I781 HydrophobicContact CZ3-CD1 4.19Å; W778-I781 HydrophobicContact CZ3-CG2 4.24Å; W778-I781 PolarHBondContact O-N 3.26Å; D779-I781 PolarHBondContact O-N 2.96Å
782	L	94.3	Very high	95.3	Very high	15 Å²	15	29.8 Å²	29.8	8%	0.079	19%	0.185	C	C	.	.	B	Isolated β-bridge	trans	-88.7	149.6	178.2	-70	178.2	0	0	0	111.4	L725 I728 V729 W778 Y784 L787 L790	L725-L782 HydrophobicContact CB-CD2 4.33Å; L725-L782 HydrophobicContact CD2-CD2 4.14Å; I728-L782 HydrophobicContact CG2-CD1 4.46Å; V729-L782 HydrophobicContact CG2-CD1 4.14Å; V729-L782 HydrophobicContact CG2-CD2 3.78Å; W778-L782 HydrophobicContact CB-CB 4.37Å; W778-L782 HydrophobicContact CB-CD1 3.68Å; W778-L782 HydrophobicContact CB-CG 3.92Å; W778-L782 HydrophobicContact CG-CD1 4.08Å; W778-L782 PolarHBondContact O-N 3.33Å; L782-Y784 PolarHBondContact O-N 2.72Å; L782-L787 HydrophobicContact CB-CB 4.42Å; L782-L790 HydrophobicContact CD1-CD1 4.38Å
783	S	92.8	Very high	95.2	Very high	73 Å²	73	32.6 Å²	32.6	51%	0.51	20%	0.2	S	C	.	.			trans	-63	138.4	177.3	65.1	0	0	0	0	111.6	S785 C786 L787	S783-S785 PolarHBondContact O-N 2.74Å; S783-C786 PolarHBondContact O-N 2.9Å; S783-C786 WeakPolarHBondContact OG-CB 3.49Å; S783-L787 PolarHBondContact O-N 2.7Å
784	Y	92.1	Very high	95.1	Very high	106 Å²	106	32.9 Å²	32.9	42%	0.416	20%	0.199	S	C	.	.	H	α-helix	trans	-54.6	-30.6	-173.4	-172.9	-123.9	0	0	0	114.3	L782 K788 W828	L782-Y784 PolarHBondContact O-N 2.72Å; Y784-K788 HydrophobicContact CE1-CD 4.48Å; Y784-K788 VanDerWaalsContact CE2-CE 3.5Å; Y784-K788 VanDerWaalsContact O-CG 3.28Å; Y784-K788 WeakPolarHBondContact O-CG 3.46Å; Y784-K788 PolarHBondContact O-N 3Å; Y784-K788 WeakPolarHBondContact OH-CE 3.09Å; Y784-K788 PolarHBondContact OH-NZ 2.82Å; Y784-W828 HydrophobicContact CE2-CB 4.27Å; Y784-W828 AromaticContact CE2-CD1 3.6Å; Y784-W828 AromaticContact CE2-CD2 3.84Å; Y784-W828 HydrophobicContact CE2-CD2 3.84Å; Y784-W828 AromaticContact CE2-CE2 3.91Å; Y784-W828 AromaticContact CE2-CG 3.65Å; Y784-W828 HydrophobicContact CE2-CG 3.65Å; Y784-W828 AromaticContact CE2-NE1 3.73Å; Y784-W828 PolarHBondContact OH-O 2.75Å
785	S	93.2	Very high	95.1	Very high	90 Å²	90	32.7 Å²	32.7	63%	0.629	20%	0.198	S	C	*	.	H	α-helix	trans	-73.1	-45.5	173.7	48.8	0	0	0	0	112.8	S783 K788 D789	S783-S785 PolarHBondContact O-N 2.74Å; S785-K788 PolarHBondContact O-N 3.36Å; S785-D789 PolarHBondContact O-N 2.97Å
786	C	95.5	Very high	95	Very high	24 Å²	24	32.5 Å²	32.5	16%	0.162	20%	0.197	C	C	.	.	H	α-helix	trans	-65.7	-42.1	177.4	-171.4	0	0	0	0	111.5	S783 K788 D789 L790	S783-C786 PolarHBondContact O-N 2.9Å; S783-C786 WeakPolarHBondContact OG-CB 3.49Å; C786-K788 VanDerWaalsContact C-N 3.31Å; C786-K788 PolarHBondContact O-N 3.06Å; C786-D789 PolarHBondContact O-N 3Å; C786-L790 WeakPolarHBondContact O-CG 3.39Å; C786-L790 PolarHBondContact O-N 3.38Å
787	L	96.2	Very high	95	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-64.6	-35.7	179	-174.7	53.7	0	0	0	112.1	I775 W778 D779 L782 S783 A791 W828	I775-L787 HydrophobicContact CG2-CD1 3.85Å; I775-L787 VanDerWaalsContact O-CD1 3.25Å; I775-L787 WeakPolarHBondContact O-CD1 3.44Å; W778-L787 HydrophobicContact CB-CD1 4.43Å; D779-L787 VanDerWaalsContact CA-CD2 3.4Å; D779-L787 HydrophobicContact CB-CD2 3.8Å; D779-L787 WeakPolarHBondContact OD1-CD2 3.04Å; L782-L787 HydrophobicContact CB-CB 4.42Å; S783-L787 PolarHBondContact O-N 2.7Å; L787-A791 WeakPolarHBondContact O-CB 3.31Å; L787-A791 PolarHBondContact O-N 3.04Å; L787-W828 HydrophobicContact CD2-CZ2 3.76Å; L787-W828 HydrophobicContact CG-CH2 4.15Å; L787-W828 HydrophobicContact CG-CZ2 3.88Å
788	K	94.2	Very high	94.8	Very high	17 Å²	17	36.2 Å²	36.2	7%	0.074	21%	0.21	C	C	.	.	H	α-helix	trans	-68.8	-42.3	171.7	-76.2	-179.4	-178.5	-176.5	0	113.6	Y784 S785 C786 L790 L792 D793 W828	Y784-K788 HydrophobicContact CE1-CD 4.48Å; Y784-K788 VanDerWaalsContact CE2-CE 3.5Å; Y784-K788 VanDerWaalsContact O-CG 3.28Å; Y784-K788 WeakPolarHBondContact O-CG 3.46Å; Y784-K788 PolarHBondContact O-N 3Å; Y784-K788 WeakPolarHBondContact OH-CE 3.09Å; Y784-K788 PolarHBondContact OH-NZ 2.82Å; S785-K788 PolarHBondContact O-N 3.36Å; C786-K788 VanDerWaalsContact C-N 3.31Å; C786-K788 PolarHBondContact O-N 3.06Å; K788-L790 VanDerWaalsContact C-N 3.27Å; K788-L790 PolarHBondContact O-N 3.43Å; K788-L792 HydrophobicContact CB-CD1 4.22Å; K788-L792 HydrophobicContact CB-CG 4.46Å; K788-L792 HydrophobicContact CD-CD1 4.27Å; K788-L792 HydrophobicContact CG-CD1 3.84Å; K788-L792 HydrophobicContact CG-CG 4.38Å; K788-L792 WeakPolarHBondContact O-CA 3.17Å; K788-L792 WeakPolarHBondContact O-CB 3.35Å; K788-L792 PolarHBondContact O-N 3.26Å; K788-D793 PolarHBondContact O-N 2.95Å; K788-W828 HydrophobicContact CG-CH2 4.23Å; K788-W828 HydrophobicContact CG-CZ3 4.02Å
789	D	96.1	Very high	94.7	Very high	55 Å²	55	37.7 Å²	37.7	29%	0.294	22%	0.216	S	C	.	.	I	π-helix	trans	-57.5	-41.6	175.4	170.8	75.2	0	0	0	111.5	R733 S785 C786 S794	R733-D789 IonicContact CZ-OD2 3.69Å; R733-D789 IonicContact NE-OD2 2.74Å; R733-D789 IonicContact NH2-OD2 2.7Å; R733-D789 PolarHBondContact NH2-OD2 3.35Å; S785-D789 PolarHBondContact O-N 2.97Å; C786-D789 PolarHBondContact O-N 3Å; D789-S794 WeakPolarHBondContact O-CB 3.28Å; D789-S794 PolarHBondContact O-N 3.12Å; D789-S794 PolarHBondContact O-OG 2.9Å
790	L	97.3	Very high	94.8	Very high	1 Å²	1	35.7 Å²	35.7	1%	0.005	21%	0.205	C	C	.	.	I	π-helix	trans	-73.8	-52.8	176.8	-63.1	175.5	0	0	0	112.5	V729 T732 R733 L736 I775 L782 C786 K788 T795	V729-L790 HydrophobicContact CG1-CD1 4.4Å; V729-L790 HydrophobicContact CG2-CD1 4.32Å; T732-L790 HydrophobicContact CG2-CD1 4.26Å; T732-L790 HydrophobicContact CG2-CD2 4.36Å; R733-L790 HydrophobicContact CG-CD2 3.55Å; L736-L790 HydrophobicContact CD1-CD2 4.39Å; I775-L790 HydrophobicContact CG2-CB 3.86Å; L782-L790 HydrophobicContact CD1-CD1 4.38Å; C786-L790 WeakPolarHBondContact O-CG 3.39Å; C786-L790 PolarHBondContact O-N 3.38Å; K788-L790 VanDerWaalsContact C-N 3.27Å; K788-L790 PolarHBondContact O-N 3.43Å; L790-T795 WeakPolarHBondContact O-CB 3.44Å; L790-T795 PolarHBondContact O-N 3.17Å; L790-T795 VanDerWaalsContact O-N 3.14Å; L790-T795 PolarHBondContact O-OG1 3.31Å
791	A	97.1	Very high	95	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	17%	0.171	C	C	.	.	I	π-helix	trans	-76	-51.2	-173	0	0	0	0	0	112.8	L772 I775 I776 L787 T795 L796	L772-A791 HydrophobicContact CD1-CB 3.76Å; L772-A791 VanDerWaalsContact CD1-O 3.26Å; L772-A791 WeakPolarHBondContact CD1-O 3.09Å; I775-A791 HydrophobicContact CG2-CB 3.95Å; I776-A791 HydrophobicContact CD1-CB 4.46Å; I776-A791 HydrophobicContact CG1-CB 3.99Å; L787-A791 WeakPolarHBondContact O-CB 3.31Å; L787-A791 PolarHBondContact O-N 3.04Å; A791-T795 WeakPolarHBondContact O-CB 3.03Å; A791-L796 WeakPolarHBondContact O-CB 3.27Å; A791-L796 PolarHBondContact O-N 3.03Å
792	L	96.4	Very high	94.9	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	18%	0.181	C	C	.	.	I	π-helix	trans	-86.2	-50.7	-170.7	-54.2	-174.7	0	0	0	111.7	K788 L796 N797 L824 W828 L838 Q840 L841	K788-L792 HydrophobicContact CB-CD1 4.22Å; K788-L792 HydrophobicContact CB-CG 4.46Å; K788-L792 HydrophobicContact CD-CD1 4.27Å; K788-L792 HydrophobicContact CG-CD1 3.84Å; K788-L792 HydrophobicContact CG-CG 4.38Å; K788-L792 WeakPolarHBondContact O-CA 3.17Å; K788-L792 WeakPolarHBondContact O-CB 3.35Å; K788-L792 PolarHBondContact O-N 3.26Å; L792-L796 HydrophobicContact CD2-CD2 4.07Å; L792-L796 WeakPolarHBondContact O-CB 3.27Å; L792-L796 PolarHBondContact O-N 3.35Å; L792-N797 WeakPolarHBondContact O-CB 3.34Å; L792-N797 PolarHBondContact O-N 3.15Å; L792-N797 PolarHBondContact O-ND2 3.13Å; L792-L824 HydrophobicContact CD2-CD2 3.78Å; L792-W828 HydrophobicContact CD1-CZ3 3.97Å; L792-W828 HydrophobicContact CD2-CZ3 4.07Å; L792-W828 HydrophobicContact CG-CZ3 4.05Å; L792-L838 HydrophobicContact CD1-CD1 4.41Å; L792-Q840 HydrophobicContact CB-CB 3.68Å; L792-Q840 HydrophobicContact CB-CG 4.16Å; L792-Q840 HydrophobicContact CD1-CB 3.63Å; L792-Q840 HydrophobicContact CD1-CG 4.27Å; L792-Q840 HydrophobicContact CG-CB 4.32Å; L792-L841 HydrophobicContact CD1-CD2 4.43Å; L792-L841 HydrophobicContact CD1-CG 4.19Å; L792-L841 HydrophobicContact CD2-CD2 3.81Å; L792-L841 HydrophobicContact CD2-CG 4.44Å
793	D	94.9	Very high	94.8	Very high	60 Å²	60	33 Å²	33	32%	0.321	18%	0.178	S	C	.	.	I	π-helix	trans	-83.7	-52	-174.4	-65	-43.5	0	0	0	111.9	K788 N797 R798 Q840	K788-D793 PolarHBondContact O-N 2.95Å; D793-N797 PolarHBondContact OD1-ND2 3.07Å; D793-N797 VanDerWaalsContact OD1-ND2 3.11Å; D793-R798 WeakPolarHBondContact O-CB 2.98Å; D793-R798 PolarHBondContact O-N 2.89Å; D793-R798 VanDerWaalsContact O-N 3.16Å; D793-Q840 WeakPolarHBondContact OD1-CG 3.13Å; D793-Q840 WeakPolarHBondContact OD2-CG 3.43Å
794	S	95.8	Very high	94.7	Very high	23 Å²	23	29.5 Å²	29.5	16%	0.161	15%	0.154	C	C	.	.	I	π-helix	trans	-77.9	-21.7	-175.7	-57.6	0	0	0	0	114.9	D789 R798	D789-S794 WeakPolarHBondContact O-CB 3.28Å; D789-S794 PolarHBondContact O-N 3.12Å; D789-S794 PolarHBondContact O-OG 2.9Å; S794-R798 WeakPolarHBondContact O-CB 3.45Å
795	T	96.7	Very high	94.5	Very high	2 Å²	2	30.2 Å²	30.2	1%	0.012	16%	0.161	C	C	.	.	I	π-helix	trans	-112.2	-60.8	-179.6	-47.6	0	0	0	0	112.4	L736 L772 I775 L790 A791 Y799 I800	L736-T795 HydrophobicContact CD2-CG2 4.16Å; L736-T795 VanDerWaalsContact CD2-OG1 3.24Å; L736-T795 WeakPolarHBondContact CD2-OG1 3.47Å; L772-T795 HydrophobicContact CB-CG2 4.05Å; L772-T795 HydrophobicContact CD1-CG2 4.44Å; I775-T795 WeakPolarHBondContact CD1-OG1 3.45Å; L790-T795 WeakPolarHBondContact O-CB 3.44Å; L790-T795 PolarHBondContact O-N 3.17Å; L790-T795 VanDerWaalsContact O-N 3.14Å; L790-T795 PolarHBondContact O-OG1 3.31Å; A791-T795 WeakPolarHBondContact O-CB 3.03Å; T795-Y799 WeakPolarHBondContact O-CB 3.47Å; T795-Y799 PolarHBondContact O-N 3.3Å; T795-Y799 VanDerWaalsContact O-N 3.17Å; T795-I800 HydrophobicContact CG2-CD1 4.25Å; T795-I800 PolarHBondContact O-N 3.26Å
796	L	96.7	Very high	94.1	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	14%	0.144	C	C	.	.	I	π-helix	trans	-67.1	-58.3	-175.8	169.8	60.8	0	0	0	112.3	A791 L792 I800 L801 V820 L841 L844	A791-L796 WeakPolarHBondContact O-CB 3.27Å; A791-L796 PolarHBondContact O-N 3.03Å; L792-L796 HydrophobicContact CD2-CD2 4.07Å; L792-L796 WeakPolarHBondContact O-CB 3.27Å; L792-L796 PolarHBondContact O-N 3.35Å; L796-I800 HydrophobicContact CD1-CB 4.06Å; L796-I800 HydrophobicContact CD1-CG2 4.05Å; L796-I800 PolarHBondContact O-N 3.19Å; L796-I800 VanDerWaalsContact O-N 3.13Å; L796-L801 WeakPolarHBondContact O-CB 3.42Å; L796-L801 PolarHBondContact O-N 3.4Å; L796-V820 HydrophobicContact CD1-CG1 3.68Å; L796-L841 HydrophobicContact CD2-CD2 3.65Å; L796-L844 HydrophobicContact CD1-CD2 4.39Å; L796-L844 HydrophobicContact CD2-CD2 4.08Å
797	N	95.3	Very high	93.6	Very high	33 Å²	33	27.5 Å²	27.5	18%	0.176	14%	0.141	C	C	.	.	I	π-helix	trans	-68.5	-47.6	-175.9	-73.4	-31.7	0	0	0	111.6	L792 D793 Q840	L792-N797 WeakPolarHBondContact O-CB 3.34Å; L792-N797 PolarHBondContact O-N 3.15Å; L792-N797 PolarHBondContact O-ND2 3.13Å; D793-N797 PolarHBondContact OD1-ND2 3.07Å; D793-N797 VanDerWaalsContact OD1-ND2 3.11Å; N797-Q840 PolarHBondContact ND2-O 3.33Å; N797-Q840 PolarHBondContact OD1-O 2.86Å
798	R	94.1	Very high	92.9	Very high	114 Å²	114	31 Å²	31	43%	0.43	16%	0.16	S	C	.	.	I	π-helix	trans	-62.5	-42.7	-179.4	178.8	174	168.4	175.7	-6.8	114.2	D737 D793 S794	D737-R798 IonicContact OD1-CZ 2.79Å; D737-R798 IonicContact OD1-NH1 3.77Å; D737-R798 PolarHBondContact OD1-NH1 3.21Å; D737-R798 IonicContact OD1-NH2 3.32Å; D737-R798 PolarHBondContact OD1-NH2 3.41Å; D793-R798 WeakPolarHBondContact O-CB 2.98Å; D793-R798 PolarHBondContact O-N 2.89Å; D793-R798 VanDerWaalsContact O-N 3.16Å; S794-R798 WeakPolarHBondContact O-CB 3.45Å
799	Y	94.3	Very high	92.2	Very high	34 Å²	34	32.7 Å²	32.7	13%	0.133	17%	0.169	C	C	.	.	I	π-helix	trans	-115	-60.9	-172.7	-64.8	-64.6	0	0	0	113.5	L736 V740 T795 S802 A803	L736-Y799 HydrophobicContact CD2-CE2 4.43Å; L736-Y799 WeakPolarHBondContact O-CE2 3.44Å; L736-Y799 PolarHBondContact O-OH 3.13Å; V740-Y799 HydrophobicContact CB-CE2 4.17Å; V740-Y799 HydrophobicContact CG1-CD1 4.07Å; V740-Y799 HydrophobicContact CG1-CD2 3.75Å; V740-Y799 HydrophobicContact CG1-CE1 4.04Å; V740-Y799 HydrophobicContact CG1-CE2 3.69Å; V740-Y799 HydrophobicContact CG1-CG 3.92Å; T795-Y799 WeakPolarHBondContact O-CB 3.47Å; T795-Y799 PolarHBondContact O-N 3.3Å; T795-Y799 VanDerWaalsContact O-N 3.17Å; Y799-S802 PolarHBondContact O-N 2.82Å; Y799-A803 WeakPolarHBondContact O-CB 3.33Å; Y799-A803 PolarHBondContact O-N 3.21Å
800	I	95	Very high	91.4	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	17%	0.167	C	C	.	.	I	π-helix	trans	-65.9	-46.5	-168	-62.1	172.1	0	0	0	111.4	F765 C768 V769 L772 T795 L796 A803 L804 V820	F765-I800 HydrophobicContact CE2-CG2 3.85Å; F765-I800 HydrophobicContact CZ-CG2 3.85Å; C768-I800 HydrophobicContact CB-CD1 4.26Å; C768-I800 HydrophobicContact CB-CG1 3.83Å; V769-I800 HydrophobicContact CG2-CD1 4.24Å; L772-I800 HydrophobicContact CB-CD1 4.13Å; L772-I800 HydrophobicContact CD2-CD1 3.88Å; T795-I800 HydrophobicContact CG2-CD1 4.25Å; T795-I800 PolarHBondContact O-N 3.26Å; L796-I800 HydrophobicContact CD1-CB 4.06Å; L796-I800 HydrophobicContact CD1-CG2 4.05Å; L796-I800 PolarHBondContact O-N 3.19Å; L796-I800 VanDerWaalsContact O-N 3.13Å; I800-A803 PolarHBondContact O-N 3.35Å; I800-L804 HydrophobicContact CG2-CD1 4.17Å; I800-L804 WeakPolarHBondContact O-CG 3.4Å; I800-L804 PolarHBondContact O-N 3.43Å; I800-V820 HydrophobicContact CG2-CG2 3.76Å
801	L	94.4	Very high	90.8	Very high	6 Å²	6	37.1 Å²	37.1	3%	0.031	20%	0.195	C	C	.	.	I	π-helix	trans	-69.3	-42.9	179.9	-177.8	62.1	0	0	0	111.7	L796 A803 L804 Q805 P843 L844 Y847	L796-L801 WeakPolarHBondContact O-CB 3.42Å; L796-L801 PolarHBondContact O-N 3.4Å; L801-A803 PolarHBondContact O-N 3.37Å; L801-L804 PolarHBondContact O-N 3.2Å; L801-Q805 HydrophobicContact CD1-CG 4.3Å; L801-Q805 HydrophobicContact CG-CG 4.48Å; L801-Q805 WeakPolarHBondContact O-CB 3.48Å; L801-Q805 VanDerWaalsContact O-CG 3.32Å; L801-Q805 WeakPolarHBondContact O-CG 3.03Å; L801-Q805 PolarHBondContact O-N 3.39Å; L801-P843 HydrophobicContact CD2-CB 3.48Å; L801-P843 VanDerWaalsContact CD2-CB 3.48Å; L801-L844 HydrophobicContact CD1-CD1 4.05Å; L801-Y847 HydrophobicContact CD1-CD1 4.33Å; L801-Y847 HydrophobicContact CD1-CG 3.97Å
802	S	91.3	Very high	90.2	Very high	53 Å²	53	39.6 Å²	39.6	37%	0.371	21%	0.206	S	C	.	.	H	α-helix	trans	-57.1	-39.4	174.6	-174.5	0	0	0	0	111.8	Y799 S806	Y799-S802 PolarHBondContact O-N 2.82Å; S802-S806 PolarHBondContact O-N 3.41Å
803	A	90.6	Very high	89.9	Confident	1 Å²	1	39.9 Å²	39.9	1%	0.008	21%	0.208	C	C	.	.	H	α-helix	trans	-70.4	-45.9	176.5	0	0	0	0	0	112.2	L742 Y761 F765 Y799 I800 L801 Q805 S806 T807	L742-A803 HydrophobicContact CD2-CB 3.41Å; L742-A803 VanDerWaalsContact CD2-CB 3.41Å; L742-A803 HydrophobicContact CG-CB 3.87Å; Y761-A803 HydrophobicContact CE2-CB 4.08Å; Y761-A803 WeakPolarHBondContact OH-CB 3.47Å; Y761-A803 PolarHBondContact OH-O 2.94Å; F765-A803 HydrophobicContact CD2-CB 4.32Å; Y799-A803 WeakPolarHBondContact O-CB 3.33Å; Y799-A803 PolarHBondContact O-N 3.21Å; I800-A803 PolarHBondContact O-N 3.35Å; L801-A803 PolarHBondContact O-N 3.37Å; A803-Q805 VanDerWaalsContact C-N 3.28Å; A803-Q805 PolarHBondContact O-N 3.26Å; A803-S806 WeakPolarHBondContact O-CB 3.41Å; A803-S806 PolarHBondContact O-N 3.06Å; A803-S806 PolarHBondContact O-OG 3.46Å; A803-T807 PolarHBondContact O-N 3.22Å; A803-T807 PolarHBondContact O-OG1 3.49Å
804	L	90.9	Very high	89.8	Confident	1 Å²	1	37.3 Å²	37.3	1%	0.005	19%	0.194	C	C	.	.	H	α-helix	trans	-57.2	-39.1	175.4	-77.4	170	0	0	0	113	F765 I800 L801 S806 T807 N813 K816 Y847	F765-L804 HydrophobicContact CE2-CD2 4.1Å; F765-L804 HydrophobicContact CE2-CG 3.93Å; F765-L804 HydrophobicContact CZ-CD1 4.48Å; F765-L804 HydrophobicContact CZ-CD2 4.04Å; F765-L804 HydrophobicContact CZ-CG 4.14Å; I800-L804 HydrophobicContact CG2-CD1 4.17Å; I800-L804 WeakPolarHBondContact O-CG 3.4Å; I800-L804 PolarHBondContact O-N 3.43Å; L801-L804 PolarHBondContact O-N 3.2Å; L804-S806 VanDerWaalsContact C-N 3.32Å; L804-T807 PolarHBondContact O-OG1 2.76Å; L804-N813 HydrophobicContact CD2-CB 4.33Å; L804-K816 HydrophobicContact CD2-CB 4.04Å; L804-K816 HydrophobicContact CD2-CD 4.14Å; L804-Y847 HydrophobicContact CB-CE1 3.97Å; L804-Y847 HydrophobicContact CB-CE2 4.26Å; L804-Y847 HydrophobicContact CD1-CE1 4.23Å; L804-Y847 HydrophobicContact CG-CE1 4.47Å; L804-Y847 PolarHBondContact O-OH 3Å; L804-Y847 VanDerWaalsContact O-OH 3.08Å
805	Q	89.3	Confident	89.5	Confident	121 Å²	121	39 Å²	39	57%	0.565	20%	0.199	S	C	*	.	H	α-helix	trans	-71.1	-23.7	176	-71.7	175.1	-0.7	0	0	113.3	L801 A803 Y847	L801-Q805 HydrophobicContact CD1-CG 4.3Å; L801-Q805 HydrophobicContact CG-CG 4.48Å; L801-Q805 WeakPolarHBondContact O-CB 3.48Å; L801-Q805 VanDerWaalsContact O-CG 3.32Å; L801-Q805 WeakPolarHBondContact O-CG 3.03Å; L801-Q805 PolarHBondContact O-N 3.39Å; A803-Q805 VanDerWaalsContact C-N 3.28Å; A803-Q805 PolarHBondContact O-N 3.26Å; Q805-Y847 HydrophobicContact CG-CD2 3.76Å; Q805-Y847 HydrophobicContact CG-CE2 4.16Å
806	S	84.5	Confident	89.4	Confident	38 Å²	38	39 Å²	39	27%	0.266	20%	0.199	S	C	.	.	H	α-helix	trans	-80.9	-26.4	178.1	76.7	0	0	0	0	113.8	S802 A803 L804	S802-S806 PolarHBondContact O-N 3.41Å; A803-S806 WeakPolarHBondContact O-CB 3.41Å; A803-S806 PolarHBondContact O-N 3.06Å; A803-S806 PolarHBondContact O-OG 3.46Å; L804-S806 VanDerWaalsContact C-N 3.32Å
807	T	83.8	Confident	89.3	Confident	18 Å²	18	39 Å²	39	11%	0.11	20%	0.199	C	C	.	.	S	Bend	trans	-91.3	149.9	-178.4	46.7	0	0	0	0	113.4	M750 Y761 A803 L804	M750-T807 HydrophobicContact CE-CG2 4.02Å; Y761-T807 HydrophobicContact CE1-CG2 3.79Å; Y761-T807 WeakPolarHBondContact OH-CG2 3.4Å; A803-T807 PolarHBondContact O-N 3.22Å; A803-T807 PolarHBondContact O-OG1 3.49Å; L804-T807 PolarHBondContact O-OG1 2.76Å
808	D	81.3	Confident	89.2	Confident	75 Å²	75	39.7 Å²	39.7	40%	0.401	20%	0.202	S	C	.	.	P	Polyproline II helix	trans	-59.8	147.1	174.5	-71.7	-79.6	0	0	0	113.6	K747 N813	K747-D808 WeakPolarHBondContact CD-OD2 3.41Å; K747-D808 WeakPolarHBondContact CE-OD1 3.22Å; K747-D808 VanDerWaalsContact CE-OD2 3.23Å; K747-D808 WeakPolarHBondContact CE-OD2 3.41Å; K747-D808 WeakPolarHBondContact CG-OD2 3.17Å; K747-D808 IonicContact NZ-OD1 3.66Å; K747-D808 PolarHBondContact NZ-OD1 2.86Å; K747-D808 IonicContact NZ-OD2 3.58Å; D808-N813 PolarHBondContact O-ND2 3.29Å
809	I	80.6	Confident	89.2	Confident	52 Å²	52	37.1 Å²	37.1	27%	0.267	19%	0.194	S	C	.	.	P	Polyproline II helix	trans	-79.9	128.9	-174.7	-75.8	168	0	0	0	110.5	H850 L851 T854 L855	I809-H850 WeakPolarHBondContact CD1-NE2 3.45Å; I809-L851 HydrophobicContact CG2-CD1 3.6Å; I809-T854 HydrophobicContact CB-CG2 4.17Å; I809-T854 HydrophobicContact CD1-CG2 3.95Å; I809-T854 HydrophobicContact CG2-CG2 3.79Å; I809-L855 HydrophobicContact CG2-CD2 4.48Å; I809-L855 HydrophobicContact CG2-CG 4.3Å
810	G	80.1	Confident	89.2	Confident	24 Å²	24	35.5 Å²	35.5	25%	0.247	19%	0.187	C	C	.	.	S	Bend	trans	-174.2	-179.7	175	0	0	0	0	0	112.3	E812 N813	G810-E812 PolarHBondContact O-N 3.28Å; G810-E812 VanDerWaalsContact O-N 3.1Å; G810-N813 WeakPolarHBondContact O-CB 3.49Å; G810-N813 PolarHBondContact O-N 3.3Å
811	E	82.9	Confident	89.2	Confident	124 Å²	124	35.7 Å²	35.7	58%	0.579	19%	0.188	S	C	*	.	H	α-helix	trans	-46.1	-41.4	-176.9	178.4	167.9	-119.9	0	0	114.6	N813 V814 H815 Q873	E811-N813 PolarHBondContact O-N 2.91Å; E811-V814 WeakPolarHBondContact O-CB 3.46Å; E811-V814 PolarHBondContact O-N 3.37Å; E811-H815 PolarHBondContact O-N 3.42Å; E811-Q873 PolarHBondContact OE1-NE2 3.39Å
812	E	86.3	Confident	89.1	Confident	52 Å²	52	39.5 Å²	39.5	24%	0.243	21%	0.206	C	C	.	.	H	α-helix	trans	-62.9	-30.7	-178.5	-164.4	-172.9	111.7	0	0	112.8	K753 Y758 Q762 G810 V814 H815 K816	K753-E812 IonicContact NZ-OE2 2.88Å; K753-E812 PolarHBondContact NZ-OE2 2.83Å; Y758-E812 VanDerWaalsContact OH-CD 3.3Å; Y758-E812 PolarHBondContact OH-OE1 3.34Å; Y758-E812 VanDerWaalsContact OH-OE1 3.13Å; Y758-E812 PolarHBondContact OH-OE2 3.1Å; Q762-E812 PolarHBondContact NE2-OE1 2.99Å; G810-E812 PolarHBondContact O-N 3.28Å; G810-E812 VanDerWaalsContact O-N 3.1Å; E812-V814 VanDerWaalsContact C-N 3.34Å; E812-H815 PolarHBondContact O-N 3.08Å; E812-K816 WeakPolarHBondContact O-CB 3.35Å; E812-K816 VanDerWaalsContact O-CG 3.31Å; E812-K816 WeakPolarHBondContact O-CG 3.23Å; E812-K816 PolarHBondContact O-N 3.12Å; E812-K816 WeakPolarHBondContact OE1-CE 3.31Å; E812-K816 IonicContact OE1-NZ 3.39Å; E812-K816 PolarHBondContact OE1-NZ 3.35Å
813	N	89.8	Confident	89.2	Confident	6 Å²	6	38.9 Å²	38.9	3%	0.032	20%	0.201	C	C	.	.	H	α-helix	trans	-73.5	-29.2	177.2	-63.2	-4.3	0	0	0	111.2	L804 D808 G810 E811 K816 C817 Y847 L851	L804-N813 HydrophobicContact CD2-CB 4.33Å; D808-N813 PolarHBondContact O-ND2 3.29Å; G810-N813 WeakPolarHBondContact O-CB 3.49Å; G810-N813 PolarHBondContact O-N 3.3Å; E811-N813 PolarHBondContact O-N 2.91Å; N813-K816 PolarHBondContact O-N 2.81Å; N813-C817 WeakPolarHBondContact O-CB 3.47Å; N813-C817 PolarHBondContact O-N 3.34Å; N813-C817 PolarHBondContact O-SG 2.85Å; N813-Y847 PolarHBondContact ND2-OH 3.36Å; N813-L851 HydrophobicContact CB-CD1 4.45Å
814	V	91.7	Very high	89.4	Confident	7 Å²	7	38.8 Å²	38.8	4%	0.042	20%	0.2	C	C	.	.	H	α-helix	trans	-63	-48.7	171.2	-174.7	0	0	0	0	109.6	E811 E812 K816 C817 Q818 L851 L855 Q873 E876 V877 M880	E811-V814 WeakPolarHBondContact O-CB 3.46Å; E811-V814 PolarHBondContact O-N 3.37Å; E812-V814 VanDerWaalsContact C-N 3.34Å; V814-K816 PolarHBondContact O-N 3.08Å; V814-C817 PolarHBondContact O-N 2.71Å; V814-Q818 WeakPolarHBondContact O-CB 3.41Å; V814-Q818 PolarHBondContact O-N 3.13Å; V814-L851 HydrophobicContact CG2-CD1 4.21Å; V814-L851 HydrophobicContact CG2-CD2 4.05Å; V814-L851 HydrophobicContact CG2-CG 4.27Å; V814-L855 HydrophobicContact CG2-CD1 3.68Å; V814-Q873 HydrophobicContact CG2-CB 4.34Å; V814-E876 HydrophobicContact CG1-CB 3.97Å; V814-E876 HydrophobicContact CG1-CG 3.97Å; V814-V877 HydrophobicContact CG1-CG2 4.02Å; V814-V877 HydrophobicContact CG2-CG2 4.26Å; V814-M880 HydrophobicContact CG1-CE 3.85Å
815	H	90.9	Very high	89.4	Confident	57 Å²	57	39.9 Å²	39.9	26%	0.264	21%	0.207	S	C	.	.	H	α-helix	trans	-66.6	-35.4	177.3	179.7	63.6	0	0	0	113.4	K544 E811 E812 Q818 K819	K544-H815 VanDerWaalsContact CE-NE2 3.26Å; K544-H815 WeakPolarHBondContact CE-NE2 3.43Å; K544-H815 PolarHBondContact NZ-NE2 2.86Å; E811-H815 PolarHBondContact O-N 3.42Å; E812-H815 PolarHBondContact O-N 3.08Å; H815-Q818 PolarHBondContact ND1-OE1 3.33Å; H815-Q818 WeakPolarHBondContact O-CB 3.2Å; H815-Q818 PolarHBondContact O-N 3.25Å; H815-K819 PolarHBondContact O-N 2.67Å
816	K	93.2	Very high	89.3	Confident	2 Å²	2	37.3 Å²	37.3	1%	0.009	21%	0.207	C	C	.	.	H	α-helix	trans	-62.9	-46.1	171.6	-77.6	168.7	162.7	157	0	111.7	F765 W766 L804 E812 N813 V814 Q818 K819 V820	F765-K816 HydrophobicContact CD1-CD 4.16Å; F765-K816 HydrophobicContact CD1-CG 4.15Å; F765-K816 HydrophobicContact CE1-CB 3.75Å; F765-K816 HydrophobicContact CE1-CD 3.76Å; F765-K816 HydrophobicContact CE1-CG 3.49Å; F765-K816 VanDerWaalsContact CE1-CG 3.49Å; F765-K816 HydrophobicContact CZ-CB 3.85Å; F765-K816 HydrophobicContact CZ-CD 3.97Å; F765-K816 HydrophobicContact CZ-CG 3.98Å; W766-K816 HydrophobicContact CH2-CG 4Å; W766-K816 HydrophobicContact CZ2-CG 3.71Å; L804-K816 HydrophobicContact CD2-CB 4.04Å; L804-K816 HydrophobicContact CD2-CD 4.14Å; E812-K816 WeakPolarHBondContact O-CB 3.35Å; E812-K816 VanDerWaalsContact O-CG 3.31Å; E812-K816 WeakPolarHBondContact O-CG 3.23Å; E812-K816 PolarHBondContact O-N 3.12Å; E812-K816 WeakPolarHBondContact OE1-CE 3.31Å; E812-K816 IonicContact OE1-NZ 3.39Å; E812-K816 PolarHBondContact OE1-NZ 3.35Å; N813-K816 PolarHBondContact O-N 2.81Å; V814-K816 PolarHBondContact O-N 3.08Å; K816-Q818 VanDerWaalsContact C-N 3.33Å; K816-K819 PolarHBondContact O-N 3.18Å; K816-V820 WeakPolarHBondContact O-CG2 3.38Å; K816-V820 PolarHBondContact O-N 3.37Å; K816-V820 VanDerWaalsContact O-N 3.08Å
817	C	94.5	Very high	89.5	Confident	0 Å²	0	42.9 Å²	42.9	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-62	-42.7	174	-66.8	0	0	0	0	111.1	N813 V814 K819 V820 M821 L848 M880	N813-C817 WeakPolarHBondContact O-CB 3.47Å; N813-C817 PolarHBondContact O-N 3.34Å; N813-C817 PolarHBondContact O-SG 2.85Å; V814-C817 PolarHBondContact O-N 2.71Å; C817-K819 VanDerWaalsContact C-N 3.31Å; C817-K819 PolarHBondContact O-N 2.71Å; C817-V820 WeakPolarHBondContact O-CB 3.08Å; C817-V820 PolarHBondContact O-N 3.2Å; C817-V820 VanDerWaalsContact O-N 3.1Å; C817-M821 WeakPolarHBondContact O-CB 3.23Å; C817-M821 WeakPolarHBondContact O-CG 3.23Å; C817-M821 PolarHBondContact O-N 2.93Å; C817-L848 HydrophobicContact CB-CD2 3.78Å; C817-M880 HydrophobicContact CB-CE 3.97Å; C817-M880 HydrophobicContact CB-SD 3.72Å
818	Q	93.7	Very high	89.8	Confident	49 Å²	49	42.5 Å²	42.5	23%	0.229	23%	0.225	C	C	.	.	H	α-helix	trans	-55.3	-46.2	177	-172.2	-175.2	46.7	0	0	111.1	V814 H815 K816 M821 E822 E876 M880	V814-Q818 WeakPolarHBondContact O-CB 3.41Å; V814-Q818 PolarHBondContact O-N 3.13Å; H815-Q818 PolarHBondContact ND1-OE1 3.33Å; H815-Q818 WeakPolarHBondContact O-CB 3.2Å; H815-Q818 PolarHBondContact O-N 3.25Å; K816-Q818 VanDerWaalsContact C-N 3.33Å; Q818-M821 PolarHBondContact O-N 3.18Å; Q818-E822 WeakPolarHBondContact O-CB 3.29Å; Q818-E822 WeakPolarHBondContact O-CG 3.45Å; Q818-E822 PolarHBondContact O-N 2.87Å; Q818-E876 PolarHBondContact NE2-OE1 3.26Å; Q818-M880 WeakPolarHBondContact CA-SD 3.33Å; Q818-M880 HydrophobicContact CB-SD 4.13Å; Q818-M880 PolarHBondContact N-SD 2.89Å
819	K	93.5	Very high	90.1	Very high	60 Å²	60	39.7 Å²	39.7	26%	0.261	21%	0.209	S	C	.	.	H	α-helix	trans	-68.5	-32.8	176.2	-67.9	-44.4	-169.1	-169.9	0	114.5	W766 V769 H815 K816 C817 E822 C823	W766-K819 HydrophobicContact CH2-CB 4.15Å; W766-K819 HydrophobicContact CH2-CG 3.99Å; W766-K819 HydrophobicContact CZ3-CB 3.72Å; W766-K819 HydrophobicContact CZ3-CG 3.82Å; V769-K819 HydrophobicContact CG1-CB 4.48Å; H815-K819 PolarHBondContact O-N 2.67Å; K816-K819 PolarHBondContact O-N 3.18Å; C817-K819 VanDerWaalsContact C-N 3.31Å; C817-K819 PolarHBondContact O-N 2.71Å; K819-E822 VanDerWaalsContact CD-CD 3.44Å; K819-E822 WeakPolarHBondContact CD-OE1 3.18Å; K819-E822 WeakPolarHBondContact CD-OE2 3.38Å; K819-E822 WeakPolarHBondContact CE-OE2 3.42Å; K819-E822 IonicContact NZ-OE1 3.95Å; K819-E822 PolarHBondContact NZ-OE1 3.06Å; K819-E822 IonicContact NZ-OE2 2.67Å; K819-E822 PolarHBondContact NZ-OE2 3.5Å; K819-C823 PolarHBondContact O-SG 2.91Å; K819-C823 VanDerWaalsContact O-SG 3.34Å
820	V	95.4	Very high	90	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-64.9	-43.9	170.5	168.4	0	0	0	0	111.2	V769 L772 L796 I800 K816 C817 C823 L844	V769-V820 HydrophobicContact CG2-CG2 3.93Å; L772-V820 HydrophobicContact CD2-CG1 4.01Å; L796-V820 HydrophobicContact CD1-CG1 3.68Å; I800-V820 HydrophobicContact CG2-CG2 3.76Å; K816-V820 WeakPolarHBondContact O-CG2 3.38Å; K816-V820 PolarHBondContact O-N 3.37Å; K816-V820 VanDerWaalsContact O-N 3.08Å; C817-V820 WeakPolarHBondContact O-CB 3.08Å; C817-V820 PolarHBondContact O-N 3.2Å; C817-V820 VanDerWaalsContact O-N 3.1Å; V820-C823 PolarHBondContact O-N 3.25Å; V820-L844 HydrophobicContact CG1-CD2 4.35Å
821	M	93.6	Very high	89.6	Confident	4 Å²	4	43.6 Å²	43.6	2%	0.02	25%	0.248	C	C	.	.	H	α-helix	trans	-72.9	-30.8	-178.6	-64.5	-69.2	-84.1	0	0	112.2	C817 Q818 C823 L824 L844 L848 M880 R883 V884	C817-M821 WeakPolarHBondContact O-CB 3.23Å; C817-M821 WeakPolarHBondContact O-CG 3.23Å; C817-M821 PolarHBondContact O-N 2.93Å; Q818-M821 PolarHBondContact O-N 3.18Å; M821-C823 VanDerWaalsContact C-N 3.28Å; M821-C823 PolarHBondContact O-N 3.19Å; M821-L824 PolarHBondContact O-N 3.1Å; M821-L824 HydrophobicContact SD-CD1 3.83Å; M821-L844 HydrophobicContact SD-CD2 3.7Å; M821-L848 HydrophobicContact CE-CD1 4.26Å; M821-M880 HydrophobicContact CB-CG 4.29Å; M821-M880 HydrophobicContact CB-SD 4.29Å; M821-M880 HydrophobicContact CE-CB 4.02Å; M821-M880 WeakPolarHBondContact CE-O 3.45Å; M821-M880 HydrophobicContact CG-CB 4.36Å; M821-M880 HydrophobicContact CG-CG 4.12Å; M821-M880 HydrophobicContact CG-SD 3.84Å; M821-R883 PolarHBondContact O-NE 3.17Å; M821-R883 PolarHBondContact O-NH2 3.29Å; M821-V884 HydrophobicContact CE-CB 4.24Å; M821-V884 HydrophobicContact CE-CG1 3.38Å; M821-V884 HydrophobicContact CE-CG2 3.8Å; M821-V884 HydrophobicContact SD-CG1 4.24Å
822	E	92.8	Very high	89.6	Confident	86 Å²	86	40.5 Å²	40.5	40%	0.402	24%	0.235	S	C	.	.	H	α-helix	trans	-57.7	-39.6	171.5	-85.6	175.4	-145.7	0	0	112.2	Q818 K819 L824 R883	Q818-E822 WeakPolarHBondContact O-CB 3.29Å; Q818-E822 WeakPolarHBondContact O-CG 3.45Å; Q818-E822 PolarHBondContact O-N 2.87Å; K819-E822 VanDerWaalsContact CD-CD 3.44Å; K819-E822 WeakPolarHBondContact CD-OE1 3.18Å; K819-E822 WeakPolarHBondContact CD-OE2 3.38Å; K819-E822 WeakPolarHBondContact CE-OE2 3.42Å; K819-E822 IonicContact NZ-OE1 3.95Å; K819-E822 PolarHBondContact NZ-OE1 3.06Å; K819-E822 IonicContact NZ-OE2 2.67Å; K819-E822 PolarHBondContact NZ-OE2 3.5Å; E822-L824 VanDerWaalsContact C-N 3.33Å; E822-L824 PolarHBondContact O-N 2.75Å; E822-R883 PolarHBondContact O-NH2 3.26Å
823	C	94.3	Very high	88.9	Confident	39 Å²	39	48 Å²	48	26%	0.264	27%	0.267	S	S	.	.	H	α-helix	trans	-65.9	-29.1	178.3	-62.3	0	0	0	0	113.7	I776 K819 V820 M821	I776-C823 HydrophobicContact CD1-CB 3.94Å; I776-C823 WeakPolarHBondContact CG2-O 3.25Å; K819-C823 PolarHBondContact O-SG 2.91Å; K819-C823 VanDerWaalsContact O-SG 3.34Å; V820-C823 PolarHBondContact O-N 3.25Å; M821-C823 VanDerWaalsContact C-N 3.28Å; M821-C823 PolarHBondContact O-N 3.19Å
824	L	93.4	Very high	88.1	Confident	0 Å²	0	50.1 Å²	50.1	0%	0	29%	0.29	C	S	.	.	S	Bend	trans	-71.8	127.5	-172.4	-63.2	177.6	0	0	0	112.2	I776 L792 M821 E822 A826 W828 F829 L841 R883 V884	I776-L824 HydrophobicContact CD1-CD2 3.99Å; L792-L824 HydrophobicContact CD2-CD2 3.78Å; M821-L824 PolarHBondContact O-N 3.1Å; M821-L824 HydrophobicContact SD-CD1 3.83Å; E822-L824 VanDerWaalsContact C-N 3.33Å; E822-L824 PolarHBondContact O-N 2.75Å; L824-A826 PolarHBondContact O-N 2.82Å; L824-W828 HydrophobicContact CD2-CZ3 4.49Å; L824-F829 HydrophobicContact CB-CE2 4.27Å; L824-F829 HydrophobicContact CB-CZ 4.49Å; L824-F829 HydrophobicContact CD1-CZ 4.44Å; L824-L841 HydrophobicContact CD1-CD1 4.15Å; L824-L841 HydrophobicContact CD1-CD2 3.98Å; L824-R883 PolarHBondContact O-NH2 3.47Å; L824-V884 HydrophobicContact CD1-CG1 4.29Å
825	P	91.8	Very high	87.3	Confident	23 Å²	23	54.6 Å²	54.6	15%	0.149	31%	0.311	C	S	.	.			trans	-66.5	131.1	-177.7	-20.3	34.4	0	0	0	111.6	I776 D779 Q827 W828 F829	I776-P825 HydrophobicContact CG2-CG 3.5Å; D779-P825 HydrophobicContact CB-CG 4.44Å; D779-P825 WeakPolarHBondContact OD2-CG 3.38Å; P825-Q827 PolarHBondContact O-N 2.83Å; P825-W828 HydrophobicContact CB-CG 4.23Å; P825-W828 HydrophobicContact CG-CD2 4.26Å; P825-W828 HydrophobicContact CG-CG 4.42Å; P825-W828 HydrophobicContact CG-CZ2 4.14Å; P825-W828 WeakPolarHBondContact O-CB 3.35Å; P825-W828 PolarHBondContact O-N 2.98Å; P825-W828 VanDerWaalsContact O-N 3.14Å; P825-F829 WeakPolarHBondContact O-CE2 3.35Å
826	A	87.5	Confident	86.8	Confident	68 Å²	68	57.8 Å²	57.8	56%	0.562	33%	0.325	S	S	*	.	G	3₁₀ helix	trans	-61.4	-28.8	-179.6	0	0	0	0	0	112.8	L824 W828 F829 S830	L824-A826 PolarHBondContact O-N 2.82Å; A826-W828 PolarHBondContact O-N 2.83Å; A826-F829 PolarHBondContact O-N 3.27Å; A826-F829 VanDerWaalsContact O-N 3.13Å; A826-S830 PolarHBondContact O-N 3.28Å
827	Q	88.3	Confident	86.6	Confident	155 Å²	155	58.3 Å²	58.3	72%	0.724	33%	0.329	S	S	*	.	G	3₁₀ helix	trans	-61	-24.4	178.4	-61.2	-175.2	11.6	0	0	113.1	P825 F829 S830	P825-Q827 PolarHBondContact O-N 2.83Å; Q827-F829 PolarHBondContact O-N 3.32Å; Q827-F829 VanDerWaalsContact O-N 3.16Å; Q827-S830 WeakPolarHBondContact CA-OG 3.35Å; Q827-S830 PolarHBondContact O-OG 3.09Å; Q827-S830 VanDerWaalsContact O-OG 3.13Å
828	W	89.7	Confident	86.4	Confident	9 Å²	9	58.8 Å²	58.8	3%	0.034	33%	0.331	C	S	.	.	G	3₁₀ helix	trans	-68.6	-11.6	178.3	-68.4	17.3	0	0	0	113.6	D779 Y784 L787 K788 L792 L824 P825 A826 L838	D779-W828 VanDerWaalsContact CG-NE1 3.35Å; D779-W828 PolarHBondContact OD1-NE1 3.06Å; D779-W828 PolarHBondContact OD2-NE1 2.84Å; Y784-W828 HydrophobicContact CE2-CB 4.27Å; Y784-W828 AromaticContact CE2-CD1 3.6Å; Y784-W828 AromaticContact CE2-CD2 3.84Å; Y784-W828 HydrophobicContact CE2-CD2 3.84Å; Y784-W828 AromaticContact CE2-CE2 3.91Å; Y784-W828 AromaticContact CE2-CG 3.65Å; Y784-W828 HydrophobicContact CE2-CG 3.65Å; Y784-W828 AromaticContact CE2-NE1 3.73Å; Y784-W828 PolarHBondContact OH-O 2.75Å; L787-W828 HydrophobicContact CD2-CZ2 3.76Å; L787-W828 HydrophobicContact CG-CH2 4.15Å; L787-W828 HydrophobicContact CG-CZ2 3.88Å; K788-W828 HydrophobicContact CG-CH2 4.23Å; K788-W828 HydrophobicContact CG-CZ3 4.02Å; L792-W828 HydrophobicContact CD1-CZ3 3.97Å; L792-W828 HydrophobicContact CD2-CZ3 4.07Å; L792-W828 HydrophobicContact CG-CZ3 4.05Å; L824-W828 HydrophobicContact CD2-CZ3 4.49Å; P825-W828 HydrophobicContact CB-CG 4.23Å; P825-W828 HydrophobicContact CG-CD2 4.26Å; P825-W828 HydrophobicContact CG-CG 4.42Å; P825-W828 HydrophobicContact CG-CZ2 4.14Å; P825-W828 WeakPolarHBondContact O-CB 3.35Å; P825-W828 PolarHBondContact O-N 2.98Å; P825-W828 VanDerWaalsContact O-N 3.14Å; A826-W828 PolarHBondContact O-N 2.83Å; W828-L838 HydrophobicContact CB-CD1 4.49Å; W828-L838 HydrophobicContact CE3-CD1 4.26Å
829	F	87.9	Confident	86.2	Confident	16 Å²	16	61.5 Å²	61.5	7%	0.07	35%	0.353	C	S	.	.	T	Hydrogen-bonded Turn	trans	-118.9	-20.6	-176.2	-48.5	-73.1	0	0	0	112.8	L824 P825 A826 Q827 G831 L832 L838 L841 V884	L824-F829 HydrophobicContact CB-CE2 4.27Å; L824-F829 HydrophobicContact CB-CZ 4.49Å; L824-F829 HydrophobicContact CD1-CZ 4.44Å; P825-F829 WeakPolarHBondContact O-CE2 3.35Å; A826-F829 PolarHBondContact O-N 3.27Å; A826-F829 VanDerWaalsContact O-N 3.13Å; Q827-F829 PolarHBondContact O-N 3.32Å; Q827-F829 VanDerWaalsContact O-N 3.16Å; F829-G831 PolarHBondContact O-N 3.36Å; F829-L832 HydrophobicContact CB-CD1 4.34Å; F829-L832 HydrophobicContact CD1-CD1 3.93Å; F829-L832 PolarHBondContact O-N 2.94Å; F829-L838 HydrophobicContact CD1-CD1 4.49Å; F829-L838 HydrophobicContact CD1-CG 4.41Å; F829-L838 HydrophobicContact CE1-CD1 3.72Å; F829-L838 HydrophobicContact CE1-CG 3.94Å; F829-L838 HydrophobicContact CZ-CD1 4.24Å; F829-L841 HydrophobicContact CE1-CD1 3.53Å; F829-L841 HydrophobicContact CZ-CD1 3.62Å; F829-V884 HydrophobicContact CD1-CB 3.93Å; F829-V884 HydrophobicContact CD1-CG1 4.3Å; F829-V884 HydrophobicContact CD2-CG1 4.43Å; F829-V884 HydrophobicContact CE1-CB 3.69Å; F829-V884 HydrophobicContact CE1-CG1 3.78Å; F829-V884 HydrophobicContact CE2-CG1 3.93Å; F829-V884 HydrophobicContact CG-CB 4.49Å; F829-V884 HydrophobicContact CZ-CB 4.05Å; F829-V884 HydrophobicContact CZ-CG1 3.58Å
830	S	78.3	Confident	86.1	Confident	92 Å²	92	61.1 Å²	61.1	64%	0.643	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.5	87	177.6	57.8	0	0	0	0	111.6	A826 Q827	A826-S830 PolarHBondContact O-N 3.28Å; Q827-S830 WeakPolarHBondContact CA-OG 3.35Å; Q827-S830 PolarHBondContact O-OG 3.09Å; Q827-S830 VanDerWaalsContact O-OG 3.13Å
831	G	72.9	Confident	86	Confident	66 Å²	66	61.1 Å²	61.1	68%	0.68	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	138.5	-8.1	-179.4	0	0	0	0	0	114.5	F829 K833	F829-G831 PolarHBondContact O-N 3.36Å; G831-K833 PolarHBondContact O-N 3.32Å
832	L	82.3	Confident	86	Confident	60 Å²	60	62.9 Å²	62.9	31%	0.314	36%	0.361	S	S	.	.			trans	-61.1	132	171.6	-65.9	176.7	0	0	0	110.1	F829 L838 N885	F829-L832 HydrophobicContact CB-CD1 4.34Å; F829-L832 HydrophobicContact CD1-CD1 3.93Å; F829-L832 PolarHBondContact O-N 2.94Å; L832-L838 HydrophobicContact CD1-CD2 4.31Å; L832-L838 HydrophobicContact CD2-CD2 4.1Å; L832-N885 HydrophobicContact CB-CB 4.42Å; L832-N885 HydrophobicContact CD1-CB 4.08Å
833	K	72.1	Confident	86.1	Confident	210 Å²	210	60.8 Å²	60.8	91%	0.913	36%	0.355	S	S	*	.			trans	-112.2	127.7	179.1	-66.3	-178.2	-178.2	177.4	0	109.5	G831	G831-K833 PolarHBondContact O-N 3.32Å
834	G	71.7	Confident	86.2	Confident	50 Å²	50	59 Å²	59	52%	0.515	34%	0.342	S	S	.	.	S	Bend	trans	103.6	-173	-175.4	0	0	0	0	0	112.5	N885	G834-N885 PolarHBondContact O-ND2 2.7Å
835	Q	75.9	Confident	86.2	Confident	101 Å²	101	59 Å²	59	47%	0.472	34%	0.342	S	S	.	.	S	Bend	trans	-89.1	-4.5	-171.4	-69.4	178.6	-16	0	0	114.6	L887 D888	Q835-L887 HydrophobicContact CB-CB 4.08Å; Q835-L887 HydrophobicContact CG-CB 4.24Å; Q835-L887 PolarHBondContact O-N 3.07Å; Q835-D888 HydrophobicContact CB-CB 4.25Å; Q835-D888 PolarHBondContact O-N 2.94Å; Q835-D888 VanDerWaalsContact O-N 3.07Å; Q835-D888 VanDerWaalsContact O-OD1 3.11Å
836	H	80.6	Confident	86.3	Confident	123 Å²	123	64.9 Å²	64.9	57%	0.569	36%	0.361	S	S	*	.			trans	-99.8	154.3	-171.1	-53.1	-58.5	0	0	0	112.9	N885 D888	H836-N885 CarbonylContact C-O 3.59Å; H836-N885 PolarHBondContact O-ND2 2.93Å; H836-N885 VanDerWaalsContact O-ND2 3.11Å; H836-D888 IonicContact CE1-OD2 2.74Å; H836-D888 IonicContact CG-OD2 2.67Å; H836-D888 IonicContact ND1-OD2 3.15Å; H836-D888 PolarHBondContact ND1-OD2 3.07Å
837	T	88.5	Confident	86.7	Confident	14 Å²	14	62.1 Å²	62.1	9%	0.086	34%	0.337	C	S	.	.			trans	-90.8	-170.4	173.1	-167.3	0	0	0	0	112.3	L841 V884 A886	T837-L841 HydrophobicContact CG2-CB 4.22Å; T837-V884 WeakPolarHBondContact CB-O 3.37Å; T837-V884 PolarHBondContact OG1-O 3.39Å; T837-A886 HydrophobicContact CG2-CB 4.34Å
838	L	89.3	Confident	87	Confident	10 Å²	10	54.8 Å²	54.8	5%	0.052	30%	0.302	C	S	.	.			trans	-65.7	136	171.6	-61.2	179.3	0	0	0	111	L792 W828 F829 L832 Q840 L841 E842	L792-L838 HydrophobicContact CD1-CD1 4.41Å; W828-L838 HydrophobicContact CB-CD1 4.49Å; W828-L838 HydrophobicContact CE3-CD1 4.26Å; F829-L838 HydrophobicContact CD1-CD1 4.49Å; F829-L838 HydrophobicContact CD1-CG 4.41Å; F829-L838 HydrophobicContact CE1-CD1 3.72Å; F829-L838 HydrophobicContact CE1-CG 3.94Å; F829-L838 HydrophobicContact CZ-CD1 4.24Å; L832-L838 HydrophobicContact CD1-CD2 4.31Å; L832-L838 HydrophobicContact CD2-CD2 4.1Å; L838-Q840 PolarHBondContact O-N 3Å; L838-L841 HydrophobicContact CB-CB 4.5Å; L838-L841 HydrophobicContact CB-CD1 4.23Å; L838-L841 HydrophobicContact CB-CG 4.39Å; L838-L841 HydrophobicContact CD1-CD1 4.1Å; L838-L841 HydrophobicContact CG-CD1 4.44Å; L838-L841 PolarHBondContact O-N 3.12Å; L838-E842 PolarHBondContact O-N 3.41Å
839	P	90.6	Very high	87.1	Confident	106 Å²	106	55.2 Å²	55.2	69%	0.688	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.2	-32.5	-178.6	-29.5	36.3	0	0	0	115	L841 E842	P839-L841 VanDerWaalsContact C-N 3.34Å; P839-L841 PolarHBondContact O-N 2.95Å; P839-E842 WeakPolarHBondContact O-CB 3.43Å
840	Q	91.9	Very high	87.4	Confident	51 Å²	51	59.4 Å²	59.4	24%	0.238	33%	0.326	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-24.4	175	-68.5	86.7	-4.8	0	0	114.6	L792 D793 N797 L838 P843	L792-Q840 HydrophobicContact CB-CB 3.68Å; L792-Q840 HydrophobicContact CB-CG 4.16Å; L792-Q840 HydrophobicContact CD1-CB 3.63Å; L792-Q840 HydrophobicContact CD1-CG 4.27Å; L792-Q840 HydrophobicContact CG-CB 4.32Å; D793-Q840 WeakPolarHBondContact OD1-CG 3.13Å; D793-Q840 WeakPolarHBondContact OD2-CG 3.43Å; N797-Q840 PolarHBondContact ND2-O 3.33Å; N797-Q840 PolarHBondContact OD1-O 2.86Å; L838-Q840 PolarHBondContact O-N 3Å; Q840-P843 WeakPolarHBondContact O-CD 3.48Å
841	L	93.6	Very high	88	Confident	0 Å²	0	55 Å²	55	0%	0	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.8	-13.2	-178.5	-70.6	174.4	0	0	0	113.3	L792 L796 L824 F829 T837 L838 P839 P843 L844 C845 V884	L792-L841 HydrophobicContact CD1-CD2 4.43Å; L792-L841 HydrophobicContact CD1-CG 4.19Å; L792-L841 HydrophobicContact CD2-CD2 3.81Å; L792-L841 HydrophobicContact CD2-CG 4.44Å; L796-L841 HydrophobicContact CD2-CD2 3.65Å; L824-L841 HydrophobicContact CD1-CD1 4.15Å; L824-L841 HydrophobicContact CD1-CD2 3.98Å; F829-L841 HydrophobicContact CE1-CD1 3.53Å; F829-L841 HydrophobicContact CZ-CD1 3.62Å; T837-L841 HydrophobicContact CG2-CB 4.22Å; L838-L841 HydrophobicContact CB-CB 4.5Å; L838-L841 HydrophobicContact CB-CD1 4.23Å; L838-L841 HydrophobicContact CB-CG 4.39Å; L838-L841 HydrophobicContact CD1-CD1 4.1Å; L838-L841 HydrophobicContact CG-CD1 4.44Å; L838-L841 PolarHBondContact O-N 3.12Å; P839-L841 VanDerWaalsContact C-N 3.34Å; P839-L841 PolarHBondContact O-N 2.95Å; L841-P843 VanDerWaalsContact C-CD 3.45Å; L841-P843 VanDerWaalsContact C-N 3.33Å; L841-L844 HydrophobicContact CD2-CD2 4.42Å; L841-L844 WeakPolarHBondContact O-CA 3.29Å; L841-L844 WeakPolarHBondContact O-CB 3.37Å; L841-L844 PolarHBondContact O-N 2.69Å; L841-C845 PolarHBondContact O-N 2.74Å; L841-C845 PolarHBondContact O-SG 3.36Å; L841-V884 HydrophobicContact CD1-CB 4.38Å; L841-V884 HydrophobicContact CD1-CG1 4.24Å
842	E	93.6	Very high	88.9	Confident	42 Å²	42	51.9 Å²	51.9	20%	0.196	26%	0.263	C	S	.	.	H	α-helix	trans	-52.1	-40.2	176.3	171	61.7	-170.6	0	0	113.6	L838 P839 L844 C845 R846 H889	L838-E842 PolarHBondContact O-N 3.41Å; P839-E842 WeakPolarHBondContact O-CB 3.43Å; E842-L844 PolarHBondContact O-N 2.93Å; E842-C845 PolarHBondContact O-N 3.27Å; E842-R846 WeakPolarHBondContact O-CG 3.19Å; E842-R846 PolarHBondContact O-N 2.98Å; E842-R846 IonicContact OE1-CZ 3.38Å; E842-R846 IonicContact OE1-NE 3.2Å; E842-R846 PolarHBondContact OE1-NE 2.72Å; E842-R846 IonicContact OE1-NH2 2.74Å; E842-R846 PolarHBondContact OE1-NH2 2.94Å; E842-H889 IonicContact OE1-CE1 3.53Å; E842-H889 IonicContact OE1-NE2 3.13Å; E842-H889 IonicContact OE2-CD2 3.13Å; E842-H889 IonicContact OE2-CE1 3.46Å; E842-H889 IonicContact OE2-NE2 2.71Å; E842-H889 PolarHBondContact OE2-NE2 3.46Å
843	P	94.6	Very high	89.3	Confident	42 Å²	42	49.6 Å²	49.6	27%	0.273	25%	0.25	S	S	.	.	H	α-helix	trans	-61.7	-37.1	172.2	-24.7	36.5	0	0	0	114.1	L801 Q840 L841 Y847	L801-P843 HydrophobicContact CD2-CB 3.48Å; L801-P843 VanDerWaalsContact CD2-CB 3.48Å; Q840-P843 WeakPolarHBondContact O-CD 3.48Å; L841-P843 VanDerWaalsContact C-CD 3.45Å; L841-P843 VanDerWaalsContact C-N 3.33Å; P843-Y847 PolarHBondContact O-N 2.95Å
844	L	94.9	Very high	90.1	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-71.6	-39.5	174.9	178.3	64.4	0	0	0	111	L796 L801 V820 M821 L841 E842 R846 Y847 L848	L796-L844 HydrophobicContact CD1-CD2 4.39Å; L796-L844 HydrophobicContact CD2-CD2 4.08Å; L801-L844 HydrophobicContact CD1-CD1 4.05Å; V820-L844 HydrophobicContact CG1-CD2 4.35Å; M821-L844 HydrophobicContact SD-CD2 3.7Å; L841-L844 HydrophobicContact CD2-CD2 4.42Å; L841-L844 WeakPolarHBondContact O-CA 3.29Å; L841-L844 WeakPolarHBondContact O-CB 3.37Å; L841-L844 PolarHBondContact O-N 2.69Å; E842-L844 PolarHBondContact O-N 2.93Å; L844-R846 PolarHBondContact O-N 3.5Å; L844-Y847 HydrophobicContact CD1-CD1 4.42Å; L844-Y847 CarbonylContact O-C 3.58Å; L844-Y847 WeakPolarHBondContact O-CB 3.39Å; L844-Y847 PolarHBondContact O-N 3.5Å; L844-Y847 VanDerWaalsContact O-N 3.12Å; L844-L848 HydrophobicContact CD1-CG 4.5Å; L844-L848 HydrophobicContact CG-CD1 4.32Å; L844-L848 HydrophobicContact CG-CG 4.44Å; L844-L848 WeakPolarHBondContact O-CG 3.37Å; L844-L848 PolarHBondContact O-N 2.75Å
845	C	94.5	Very high	90.9	Very high	1 Å²	1	39.7 Å²	39.7	1%	0.007	20%	0.198	C	C	.	.	H	α-helix	trans	-64.9	-41	179.7	-62.8	0	0	0	0	111.7	L841 E842 Y847 L848 T849 L881 A886	L841-C845 PolarHBondContact O-N 2.74Å; L841-C845 PolarHBondContact O-SG 3.36Å; E842-C845 PolarHBondContact O-N 3.27Å; C845-Y847 VanDerWaalsContact C-N 3.32Å; C845-Y847 PolarHBondContact O-N 3.1Å; C845-L848 WeakPolarHBondContact O-CB 3.47Å; C845-L848 PolarHBondContact O-N 2.91Å; C845-T849 PolarHBondContact O-N 3.31Å; C845-T849 PolarHBondContact O-OG1 2.9Å; C845-T849 VanDerWaalsContact O-OG1 3.13Å; C845-L881 HydrophobicContact CB-CD2 3.8Å; C845-A886 HydrophobicContact CB-CB 4.23Å
846	R	94.4	Very high	91.4	Very high	146 Å²	146	38.1 Å²	38.1	55%	0.551	19%	0.19	S	C	*	.	H	α-helix	trans	-58.8	-41.1	169.5	-68.1	171.8	-167.8	157.4	4.4	112.8	E842 L844 T849 H850	E842-R846 WeakPolarHBondContact O-CG 3.19Å; E842-R846 PolarHBondContact O-N 2.98Å; E842-R846 IonicContact OE1-CZ 3.38Å; E842-R846 IonicContact OE1-NE 3.2Å; E842-R846 PolarHBondContact OE1-NE 2.72Å; E842-R846 IonicContact OE1-NH2 2.74Å; E842-R846 PolarHBondContact OE1-NH2 2.94Å; L844-R846 PolarHBondContact O-N 3.5Å; R846-T849 PolarHBondContact O-N 2.99Å; R846-H850 WeakPolarHBondContact O-CB 3.29Å; R846-H850 PolarHBondContact O-N 2.97Å
847	Y	94.8	Very high	91.7	Very high	11 Å²	11	40.1 Å²	40.1	4%	0.043	19%	0.193	C	C	.	.	H	α-helix	trans	-66.4	-39.9	176.1	175.7	-95.5	0	0	0	111.9	L801 L804 Q805 N813 P843 L844 C845 H850 L851	L801-Y847 HydrophobicContact CD1-CD1 4.33Å; L801-Y847 HydrophobicContact CD1-CG 3.97Å; L804-Y847 HydrophobicContact CB-CE1 3.97Å; L804-Y847 HydrophobicContact CB-CE2 4.26Å; L804-Y847 HydrophobicContact CD1-CE1 4.23Å; L804-Y847 HydrophobicContact CG-CE1 4.47Å; L804-Y847 PolarHBondContact O-OH 3Å; L804-Y847 VanDerWaalsContact O-OH 3.08Å; Q805-Y847 HydrophobicContact CG-CD2 3.76Å; Q805-Y847 HydrophobicContact CG-CE2 4.16Å; N813-Y847 PolarHBondContact ND2-OH 3.36Å; P843-Y847 PolarHBondContact O-N 2.95Å; L844-Y847 HydrophobicContact CD1-CD1 4.42Å; L844-Y847 CarbonylContact O-C 3.58Å; L844-Y847 WeakPolarHBondContact O-CB 3.39Å; L844-Y847 PolarHBondContact O-N 3.5Å; L844-Y847 VanDerWaalsContact O-N 3.12Å; C845-Y847 VanDerWaalsContact C-N 3.32Å; C845-Y847 PolarHBondContact O-N 3.1Å; Y847-H850 PolarHBondContact O-N 3.28Å; Y847-L851 HydrophobicContact CE1-CD2 4.19Å; Y847-L851 WeakPolarHBondContact O-CB 3.43Å; Y847-L851 PolarHBondContact O-N 3.31Å
848	L	94.1	Very high	91.5	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-61.8	-46.9	173.6	-73.3	175.6	0	0	0	111.6	C817 M821 L844 C845 H850 L851 A852 V877 M880 L881	C817-L848 HydrophobicContact CB-CD2 3.78Å; M821-L848 HydrophobicContact CE-CD1 4.26Å; L844-L848 HydrophobicContact CD1-CG 4.5Å; L844-L848 HydrophobicContact CG-CD1 4.32Å; L844-L848 HydrophobicContact CG-CG 4.44Å; L844-L848 WeakPolarHBondContact O-CG 3.37Å; L844-L848 PolarHBondContact O-N 2.75Å; C845-L848 WeakPolarHBondContact O-CB 3.47Å; C845-L848 PolarHBondContact O-N 2.91Å; L848-H850 PolarHBondContact O-N 2.89Å; L848-L851 HydrophobicContact CD2-CD2 4.36Å; L848-L851 WeakPolarHBondContact O-CB 3.22Å; L848-L851 PolarHBondContact O-N 2.83Å; L848-A852 PolarHBondContact O-N 2.72Å; L848-V877 HydrophobicContact CB-CG1 3.89Å; L848-V877 HydrophobicContact CD2-CG1 4.19Å; L848-V877 VanDerWaalsContact O-CG1 3.31Å; L848-V877 WeakPolarHBondContact O-CG1 3.42Å; L848-M880 HydrophobicContact CD1-CB 4.25Å; L848-M880 HydrophobicContact CD2-CE 4.11Å; L848-M880 HydrophobicContact CD2-SD 4.33Å; L848-L881 HydrophobicContact CB-CD2 3.9Å; L848-L881 HydrophobicContact CB-CG 4.22Å; L848-L881 HydrophobicContact CD1-CD2 3.9Å; L848-L881 HydrophobicContact CD1-CG 4.28Å
849	T	93.3	Very high	91.3	Very high	18 Å²	18	43.4 Å²	43.4	11%	0.11	22%	0.217	C	C	.	.	H	α-helix	trans	-56.6	-48.3	172.8	-61.4	0	0	0	0	111.4	C845 R846 L851 A852 N853 H889 V893	C845-T849 PolarHBondContact O-N 3.31Å; C845-T849 PolarHBondContact O-OG1 2.9Å; C845-T849 VanDerWaalsContact O-OG1 3.13Å; R846-T849 PolarHBondContact O-N 2.99Å; T849-L851 VanDerWaalsContact C-N 3.34Å; T849-L851 PolarHBondContact O-N 3.37Å; T849-A852 PolarHBondContact O-N 3.05Å; T849-N853 WeakPolarHBondContact O-CB 3.42Å; T849-N853 PolarHBondContact O-N 3.25Å; T849-N853 PolarHBondContact O-OD1 3.41Å; T849-N853 VanDerWaalsContact O-OD1 3.1Å; T849-H889 WeakPolarHBondContact OG1-CB 3.34Å; T849-H889 PolarHBondContact OG1-ND1 3.1Å; T849-H889 VanDerWaalsContact OG1-ND1 3.15Å; T849-V893 HydrophobicContact CG2-CG2 3.89Å
850	H	92.9	Very high	90.7	Very high	105 Å²	105	42.9 Å²	42.9	49%	0.486	21%	0.211	S	C	.	.	H	α-helix	trans	-62.9	-37.8	177	-179.8	49.3	0	0	0	113.2	I809 R846 Y847 L848 T854	I809-H850 WeakPolarHBondContact CD1-NE2 3.45Å; R846-H850 WeakPolarHBondContact O-CB 3.29Å; R846-H850 PolarHBondContact O-N 2.97Å; Y847-H850 PolarHBondContact O-N 3.28Å; L848-H850 PolarHBondContact O-N 2.89Å; H850-T854 PolarHBondContact CE1-OG1 2.97Å; H850-T854 PolarHBondContact ND1-OG1 3.31Å; H850-T854 WeakPolarHBondContact O-CB 3.2Å; H850-T854 PolarHBondContact O-N 3.1Å; H850-T854 PolarHBondContact O-OG1 3.24Å
851	L	91.8	Very high	89.8	Confident	0 Å²	0	43.9 Å²	43.9	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-62.8	-49.9	175	171.4	58.4	0	0	0	111.1	I809 N813 V814 Y847 L848 T849 L855 V877	I809-L851 HydrophobicContact CG2-CD1 3.6Å; N813-L851 HydrophobicContact CB-CD1 4.45Å; V814-L851 HydrophobicContact CG2-CD1 4.21Å; V814-L851 HydrophobicContact CG2-CD2 4.05Å; V814-L851 HydrophobicContact CG2-CG 4.27Å; Y847-L851 HydrophobicContact CE1-CD2 4.19Å; Y847-L851 WeakPolarHBondContact O-CB 3.43Å; Y847-L851 PolarHBondContact O-N 3.31Å; L848-L851 HydrophobicContact CD2-CD2 4.36Å; L848-L851 WeakPolarHBondContact O-CB 3.22Å; L848-L851 PolarHBondContact O-N 2.83Å; T849-L851 VanDerWaalsContact C-N 3.34Å; T849-L851 PolarHBondContact O-N 3.37Å; L851-L855 HydrophobicContact CD1-CD1 3.73Å; L851-L855 HydrophobicContact CD1-CG 4.1Å; L851-L855 HydrophobicContact CG-CD1 4.11Å; L851-L855 VanDerWaalsContact O-CB 3.29Å; L851-L855 WeakPolarHBondContact O-CB 3.31Å; L851-L855 WeakPolarHBondContact O-CG 3.42Å; L851-L855 PolarHBondContact O-N 3.49Å; L851-V877 HydrophobicContact CD2-CG2 4.24Å; L851-V877 HydrophobicContact CG-CG2 4.34Å
852	A	91.2	Very high	89.2	Confident	0 Å²	0	45.1 Å²	45.1	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-58.9	-48.5	176.6	0	0	0	0	0	112.1	L848 T849 L855 H856 V874 V877 V893	L848-A852 PolarHBondContact O-N 2.72Å; T849-A852 PolarHBondContact O-N 3.05Å; A852-L855 PolarHBondContact O-N 3.47Å; A852-H856 WeakPolarHBondContact O-CB 3.39Å; A852-H856 PolarHBondContact O-N 2.65Å; A852-V874 HydrophobicContact CB-CG2 4.48Å; A852-V877 HydrophobicContact CB-CB 4.26Å; A852-V877 HydrophobicContact CB-CG1 3.86Å; A852-V893 HydrophobicContact CB-CG1 4.14Å; A852-V893 HydrophobicContact CB-CG2 4.25Å
853	N	90.7	Very high	88.8	Confident	11 Å²	11	45.4 Å²	45.4	6%	0.059	25%	0.252	C	S	.	.	H	α-helix	trans	-71.2	-36.1	-174.3	-61.8	11.1	0	0	0	111.2	T849 H856 R857 E896	T849-N853 WeakPolarHBondContact O-CB 3.42Å; T849-N853 PolarHBondContact O-N 3.25Å; T849-N853 PolarHBondContact O-OD1 3.41Å; T849-N853 VanDerWaalsContact O-OD1 3.1Å; N853-H856 PolarHBondContact O-N 2.95Å; N853-R857 WeakPolarHBondContact O-CB 3.46Å; N853-R857 WeakPolarHBondContact O-CD 3.34Å; N853-R857 WeakPolarHBondContact O-CG 3.32Å; N853-R857 PolarHBondContact O-N 2.9Å; N853-E896 PolarHBondContact ND2-OE2 3.28Å
854	T	89.8	Confident	88.1	Confident	45 Å²	45	47.9 Å²	47.9	28%	0.276	26%	0.263	S	S	.	.	H	α-helix	trans	-68.1	-43.4	174.2	-58.3	0	0	0	0	111.8	I809 H850 R857 S858	I809-T854 HydrophobicContact CB-CG2 4.17Å; I809-T854 HydrophobicContact CD1-CG2 3.95Å; I809-T854 HydrophobicContact CG2-CG2 3.79Å; H850-T854 PolarHBondContact CE1-OG1 2.97Å; H850-T854 PolarHBondContact ND1-OG1 3.31Å; H850-T854 WeakPolarHBondContact O-CB 3.2Å; H850-T854 PolarHBondContact O-N 3.1Å; H850-T854 PolarHBondContact O-OG1 3.24Å; T854-R857 PolarHBondContact O-N 3.18Å; T854-S858 PolarHBondContact O-N 2.91Å
855	L	87.9	Confident	87.5	Confident	8 Å²	8	52.7 Å²	52.7	4%	0.042	29%	0.293	C	S	.	.	H	α-helix	trans	-57.6	-51.9	172.3	-77.7	171.4	0	0	0	110.5	I809 V814 L851 A852 R857 S858 S859 T870 Q873 V874	I809-L855 HydrophobicContact CG2-CD2 4.48Å; I809-L855 HydrophobicContact CG2-CG 4.3Å; V814-L855 HydrophobicContact CG2-CD1 3.68Å; L851-L855 HydrophobicContact CD1-CD1 3.73Å; L851-L855 HydrophobicContact CD1-CG 4.1Å; L851-L855 HydrophobicContact CG-CD1 4.11Å; L851-L855 VanDerWaalsContact O-CB 3.29Å; L851-L855 WeakPolarHBondContact O-CB 3.31Å; L851-L855 WeakPolarHBondContact O-CG 3.42Å; L851-L855 PolarHBondContact O-N 3.49Å; A852-L855 PolarHBondContact O-N 3.47Å; L855-R857 PolarHBondContact O-N 3.16Å; L855-S858 PolarHBondContact O-N 3.05Å; L855-S858 VanDerWaalsContact O-N 3.15Å; L855-S858 PolarHBondContact O-OG 3.07Å; L855-S859 PolarHBondContact O-N 3.03Å; L855-S859 VanDerWaalsContact O-N 3.16Å; L855-T870 HydrophobicContact CB-CG2 3.82Å; L855-T870 WeakPolarHBondContact O-CG2 3.49Å; L855-Q873 HydrophobicContact CD1-CB 4.31Å; L855-V874 HydrophobicContact CB-CG2 4.37Å
856	H	86.3	Confident	86.8	Confident	67 Å²	67	57.5 Å²	57.5	31%	0.31	32%	0.315	S	S	.	.	H	α-helix	trans	-56.7	-48.8	178.1	-177.1	55.4	0	0	0	112.7	A852 N853 S858 S859 H897	A852-H856 WeakPolarHBondContact O-CB 3.39Å; A852-H856 PolarHBondContact O-N 2.65Å; N853-H856 PolarHBondContact O-N 2.95Å; H856-S858 VanDerWaalsContact C-N 3.3Å; H856-S858 PolarHBondContact O-N 2.93Å; H856-S859 WeakPolarHBondContact O-CB 3.34Å; H856-S859 PolarHBondContact O-N 2.75Å; H856-S859 PolarHBondContact O-OG 3.13Å; H856-H897 WeakPolarHBondContact CB-NE2 3.42Å; H856-H897 AromaticContact CD2-CD2 3.18Å; H856-H897 PolarHBondContact CD2-CD2 3.05Å; H856-H897 AromaticContact CD2-CG 3.8Å; H856-H897 AromaticContact CD2-NE2 3.56Å; H856-H897 AromaticContact CG-CD2 3.58Å; H856-H897 AromaticContact CG-CE1 3.95Å; H856-H897 AromaticContact CG-NE2 3.48Å; H856-H897 AromaticContact NE2-CD2 3.98Å
857	R	87.3	Confident	86.2	Confident	166 Å²	166	55.8 Å²	55.8	63%	0.626	31%	0.309	S	S	*	.	H	α-helix	trans	-56.2	-40.1	176.4	-74.1	168	-177.5	-127.8	7	112.8	N853 T854 L855 S859 E896	N853-R857 WeakPolarHBondContact O-CB 3.46Å; N853-R857 WeakPolarHBondContact O-CD 3.34Å; N853-R857 WeakPolarHBondContact O-CG 3.32Å; N853-R857 PolarHBondContact O-N 2.9Å; T854-R857 PolarHBondContact O-N 3.18Å; L855-R857 PolarHBondContact O-N 3.16Å; R857-S859 VanDerWaalsContact C-N 3.32Å; R857-S859 PolarHBondContact O-N 3.12Å; R857-E896 IonicContact CZ-OE1 2.78Å; R857-E896 IonicContact NE-OE1 3.47Å; R857-E896 PolarHBondContact NE-OE1 3.25Å; R857-E896 IonicContact NH2-OE1 3.21Å; R857-E896 PolarHBondContact NH2-OE1 3.42Å; R857-E896 IonicContact NH2-OE2 3.75Å
858	S	84.1	Confident	85.7	Confident	79 Å²	79	63.3 Å²	63.3	55%	0.552	34%	0.337	S	S	*	.	H	α-helix	trans	-65.7	-33	176.2	75.5	0	0	0	0	113.2	T854 L855 H856 V860	T854-S858 PolarHBondContact O-N 2.91Å; L855-S858 PolarHBondContact O-N 3.05Å; L855-S858 VanDerWaalsContact O-N 3.15Å; L855-S858 PolarHBondContact O-OG 3.07Å; H856-S858 VanDerWaalsContact C-N 3.3Å; H856-S858 PolarHBondContact O-N 2.93Å; S858-V860 VanDerWaalsContact C-N 3.35Å; S858-V860 PolarHBondContact O-N 2.8Å
859	S	84.4	Confident	85.3	Confident	13 Å²	13	66.3 Å²	66.3	9%	0.091	36%	0.355	C	S	.	.	H	α-helix	trans	-73	-18.4	-177.6	75.4	0	0	0	0	115.3	L855 H856 R857 G861 A862 R867	L855-S859 PolarHBondContact O-N 3.03Å; L855-S859 VanDerWaalsContact O-N 3.16Å; H856-S859 WeakPolarHBondContact O-CB 3.34Å; H856-S859 PolarHBondContact O-N 2.75Å; H856-S859 PolarHBondContact O-OG 3.13Å; R857-S859 VanDerWaalsContact C-N 3.32Å; R857-S859 PolarHBondContact O-N 3.12Å; S859-G861 PolarHBondContact O-N 3.13Å; S859-G861 VanDerWaalsContact O-N 3.17Å; S859-A862 WeakPolarHBondContact O-CB 3.48Å; S859-A862 PolarHBondContact O-N 3.48Å; S859-R867 WeakPolarHBondContact O-CG 3.46Å
860	V	79.3	Confident	84.9	Confident	95 Å²	95	66.1 Å²	66.1	58%	0.576	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-32.5	-173.7	-177.9	0	0	0	0	112.5	S858 R867	S858-V860 VanDerWaalsContact C-N 3.35Å; S858-V860 PolarHBondContact O-N 2.8Å; V860-R867 PolarHBondContact O-NH2 3.44Å; V860-R867 VanDerWaalsContact O-NH2 3.07Å
861	G	72.8	Confident	84.5	Confident	73 Å²	73	68.3 Å²	68.3	75%	0.753	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.4	-6.3	175.1	0	0	0	0	0	115.7	S859	S859-G861 PolarHBondContact O-N 3.13Å; S859-G861 VanDerWaalsContact O-N 3.17Å
862	A	80.6	Confident	84.3	Confident	25 Å²	25	74.4 Å²	74.4	21%	0.207	39%	0.387	C	S	.	.	S	Bend	trans	-79.9	173.7	-168.6	0	0	0	0	0	113.7	S859 E866 R867	S859-A862 WeakPolarHBondContact O-CB 3.48Å; S859-A862 PolarHBondContact O-N 3.48Å; A862-E866 HydrophobicContact CB-CB 3.78Å; A862-R867 VanDerWaalsContact O-CZ 3.25Å; A862-R867 PolarHBondContact O-NE 3.45Å; A862-R867 PolarHBondContact O-NH2 3.07Å
863	S	84.5	Confident	84.2	Confident	48 Å²	48	75.5 Å²	75.5	34%	0.336	39%	0.392	S	S	.	.			trans	-65.8	160.1	173.2	68.5	0	0	0	0	112.4	T865 E866 R867	S863-T865 PolarHBondContact O-N 3.29Å; S863-T865 PolarHBondContact OG-OG1 3.42Å; S863-E866 WeakPolarHBondContact CB-OE2 3.34Å; S863-E866 PolarHBondContact N-OE2 3.11Å; S863-E866 PolarHBondContact O-N 2.96Å; S863-E866 VanDerWaalsContact O-N 3.12Å; S863-E866 VanDerWaalsContact OG-CG 3.3Å; S863-E866 WeakPolarHBondContact OG-CG 3.48Å; S863-E866 PolarHBondContact OG-N 2.93Å; S863-E866 PolarHBondContact OG-OE2 3.3Å; S863-R867 WeakPolarHBondContact O-CG 3.46Å; S863-R867 PolarHBondContact O-N 3.4Å
864	D	79.9	Confident	84.1	Confident	94 Å²	94	75.3 Å²	75.3	50%	0.503	39%	0.391	S	S	.	.	H	α-helix	trans	-63.8	-27.7	178.7	-165.8	66.5	0	0	0	112.9	R868	D864-R868 WeakPolarHBondContact O-CD 3.26Å; D864-R868 VanDerWaalsContact O-CG 3.22Å; D864-R868 WeakPolarHBondContact O-CG 3.17Å; D864-R868 PolarHBondContact O-N 2.85Å; D864-R868 IonicContact OD2-CZ 3.18Å; D864-R868 IonicContact OD2-NE 2.7Å; D864-R868 PolarHBondContact OD2-NE 2.97Å; D864-R868 IonicContact OD2-NH2 3.8Å; D864-R868 PolarHBondContact OD2-NH2 3.05Å
865	T	82.3	Confident	84	Confident	102 Å²	102	77.3 Å²	77.3	63%	0.626	39%	0.394	S	S	*	.	H	α-helix	trans	-65.7	-46.6	169.9	28.1	0	0	0	0	112.7	S863 R868 T869	S863-T865 PolarHBondContact O-N 3.29Å; S863-T865 PolarHBondContact OG-OG1 3.42Å; T865-R868 PolarHBondContact O-N 3.3Å; T865-T869 PolarHBondContact O-N 3.08Å
866	E	80.8	Confident	84.1	Confident	101 Å²	101	78.9 Å²	78.9	47%	0.472	40%	0.401	S	S	.	.	H	α-helix	trans	-68.9	-38	178.5	-69.6	157.9	138.2	0	0	111.4	A862 S863 R868 T869 T870	A862-E866 HydrophobicContact CB-CB 3.78Å; S863-E866 WeakPolarHBondContact CB-OE2 3.34Å; S863-E866 PolarHBondContact N-OE2 3.11Å; S863-E866 PolarHBondContact O-N 2.96Å; S863-E866 VanDerWaalsContact O-N 3.12Å; S863-E866 VanDerWaalsContact OG-CG 3.3Å; S863-E866 WeakPolarHBondContact OG-CG 3.48Å; S863-E866 PolarHBondContact OG-N 2.93Å; S863-E866 PolarHBondContact OG-OE2 3.3Å; E866-R868 PolarHBondContact O-N 3.31Å; E866-T869 PolarHBondContact O-N 3.05Å; E866-T869 PolarHBondContact O-OG1 3.05Å; E866-T869 VanDerWaalsContact O-OG1 3.09Å; E866-T870 WeakPolarHBondContact O-CB 3.37Å; E866-T870 PolarHBondContact O-N 3.28Å; E866-T870 PolarHBondContact O-OG1 2.86Å
867	R	82.3	Confident	84.4	Confident	111 Å²	111	75.7 Å²	75.7	42%	0.419	39%	0.386	S	S	.	.	H	α-helix	trans	-57.8	-35.6	173.5	-69.5	171.6	-157.3	-133.3	-8.3	112.5	S859 V860 A862 S863 R871	S859-R867 WeakPolarHBondContact O-CG 3.46Å; V860-R867 PolarHBondContact O-NH2 3.44Å; V860-R867 VanDerWaalsContact O-NH2 3.07Å; A862-R867 VanDerWaalsContact O-CZ 3.25Å; A862-R867 PolarHBondContact O-NE 3.45Å; A862-R867 PolarHBondContact O-NH2 3.07Å; S863-R867 WeakPolarHBondContact O-CG 3.46Å; S863-R867 PolarHBondContact O-N 3.4Å; R867-R871 VanDerWaalsContact O-CB 3.25Å; R867-R871 WeakPolarHBondContact O-CB 3.48Å; R867-R871 PolarHBondContact O-N 3.48Å
868	R	83.8	Confident	84.5	Confident	168 Å²	168	67.8 Å²	67.8	63%	0.634	36%	0.356	S	S	*	.	H	α-helix	trans	-69.4	-49.9	176.9	-69	163.9	-167.3	-140.7	6.8	111.3	D864 T865 E866 R871 E872	D864-R868 WeakPolarHBondContact O-CD 3.26Å; D864-R868 VanDerWaalsContact O-CG 3.22Å; D864-R868 WeakPolarHBondContact O-CG 3.17Å; D864-R868 PolarHBondContact O-N 2.85Å; D864-R868 IonicContact OD2-CZ 3.18Å; D864-R868 IonicContact OD2-NE 2.7Å; D864-R868 PolarHBondContact OD2-NE 2.97Å; D864-R868 IonicContact OD2-NH2 3.8Å; D864-R868 PolarHBondContact OD2-NH2 3.05Å; T865-R868 PolarHBondContact O-N 3.3Å; E866-R868 PolarHBondContact O-N 3.31Å; R868-R871 PolarHBondContact O-N 3.31Å; R868-E872 PolarHBondContact O-N 3.4Å
869	T	85.7	Confident	84.8	Confident	63 Å²	63	70.3 Å²	70.3	39%	0.387	35%	0.353	S	S	.	.	H	α-helix	trans	-65.7	-39.9	179.2	58.1	0	0	0	0	111.8	T865 E866 R871 E872 Q873	T865-T869 PolarHBondContact O-N 3.08Å; E866-T869 PolarHBondContact O-N 3.05Å; E866-T869 PolarHBondContact O-OG1 3.05Å; E866-T869 VanDerWaalsContact O-OG1 3.09Å; T869-R871 PolarHBondContact O-N 3.47Å; T869-E872 WeakPolarHBondContact O-CB 3.18Å; T869-E872 PolarHBondContact O-N 3.44Å; T869-Q873 VanDerWaalsContact O-CG 3.29Å; T869-Q873 WeakPolarHBondContact O-CG 3.49Å; T869-Q873 PolarHBondContact O-N 3.02Å
870	T	84.6	Confident	85.2	Confident	14 Å²	14	70 Å²	70	9%	0.086	35%	0.351	C	S	.	.	H	α-helix	trans	-65.3	-37.2	174.4	-52.9	0	0	0	0	112.5	L855 E866 E872 Q873 V874	L855-T870 HydrophobicContact CB-CG2 3.82Å; L855-T870 WeakPolarHBondContact O-CG2 3.49Å; E866-T870 WeakPolarHBondContact O-CB 3.37Å; E866-T870 PolarHBondContact O-N 3.28Å; E866-T870 PolarHBondContact O-OG1 2.86Å; T870-E872 VanDerWaalsContact C-N 3.28Å; T870-E872 PolarHBondContact O-N 2.67Å; T870-Q873 PolarHBondContact O-N 3.18Å; T870-V874 WeakPolarHBondContact O-CB 3.33Å; T870-V874 WeakPolarHBondContact O-CG2 3.47Å; T870-V874 PolarHBondContact O-N 3.11Å
871	R	85.5	Confident	85.7	Confident	152 Å²	152	65.5 Å²	65.5	57%	0.574	32%	0.323	S	S	*	.	H	α-helix	trans	-64.1	-34.3	173.5	-175.6	177.6	-177	-174.4	2	112.2	R867 R868 T869 R875	R867-R871 VanDerWaalsContact O-CB 3.25Å; R867-R871 WeakPolarHBondContact O-CB 3.48Å; R867-R871 PolarHBondContact O-N 3.48Å; R868-R871 PolarHBondContact O-N 3.31Å; T869-R871 PolarHBondContact O-N 3.47Å; R871-R875 WeakPolarHBondContact O-CG 3.4Å; R871-R875 PolarHBondContact O-N 2.91Å; R871-R875 VanDerWaalsContact O-N 3.11Å
872	E	87.5	Confident	86.4	Confident	127 Å²	127	63.3 Å²	63.3	59%	0.593	30%	0.301	S	S	*	.	H	α-helix	trans	-71.3	-43.8	175.6	-170.8	159.8	-150.4	0	0	112	R868 T869 T870 V874 R875 E876	R868-E872 PolarHBondContact O-N 3.4Å; T869-E872 WeakPolarHBondContact O-CB 3.18Å; T869-E872 PolarHBondContact O-N 3.44Å; T870-E872 VanDerWaalsContact C-N 3.28Å; T870-E872 PolarHBondContact O-N 2.67Å; E872-V874 VanDerWaalsContact C-N 3.33Å; E872-V874 PolarHBondContact O-N 3.14Å; E872-R875 WeakPolarHBondContact O-CB 3.49Å; E872-R875 PolarHBondContact O-N 3.41Å; E872-R875 VanDerWaalsContact O-N 3.14Å; E872-E876 PolarHBondContact O-N 3.09Å
873	Q	87.8	Confident	86.8	Confident	23 Å²	23	67 Å²	67	11%	0.107	31%	0.31	C	S	.	.	H	α-helix	trans	-58.6	-41.4	171.2	-69.1	161.4	7.6	0	0	112.2	E811 V814 L855 T869 T870 E876 V877	E811-Q873 PolarHBondContact OE1-NE2 3.39Å; V814-Q873 HydrophobicContact CG2-CB 4.34Å; L855-Q873 HydrophobicContact CD1-CB 4.31Å; T869-Q873 VanDerWaalsContact O-CG 3.29Å; T869-Q873 WeakPolarHBondContact O-CG 3.49Å; T869-Q873 PolarHBondContact O-N 3.02Å; T870-Q873 PolarHBondContact O-N 3.18Å; Q873-E876 WeakPolarHBondContact O-CB 3.32Å; Q873-E876 PolarHBondContact O-N 3.31Å; Q873-V877 WeakPolarHBondContact O-CG2 3.41Å; Q873-V877 PolarHBondContact O-N 2.87Å; Q873-V877 VanDerWaalsContact O-N 3.09Å
874	V	88.9	Confident	87.1	Confident	7 Å²	7	64.8 Å²	64.8	4%	0.042	29%	0.294	C	S	.	.	H	α-helix	trans	-63.6	-39.1	174.5	165.4	0	0	0	0	111.9	A852 L855 T870 E872 V877 V878	A852-V874 HydrophobicContact CB-CG2 4.48Å; L855-V874 HydrophobicContact CB-CG2 4.37Å; T870-V874 WeakPolarHBondContact O-CB 3.33Å; T870-V874 WeakPolarHBondContact O-CG2 3.47Å; T870-V874 PolarHBondContact O-N 3.11Å; E872-V874 VanDerWaalsContact C-N 3.33Å; E872-V874 PolarHBondContact O-N 3.14Å; V874-V877 PolarHBondContact O-N 3.27Å; V874-V878 PolarHBondContact O-N 2.98Å
875	R	88.3	Confident	87.5	Confident	88 Å²	88	62 Å²	62	33%	0.332	28%	0.279	S	S	.	.	H	α-helix	trans	-64.1	-38.8	173.2	-74.9	163.8	165.3	169.4	-10.5	112.3	R871 E872 V877 V878 R879	R871-R875 WeakPolarHBondContact O-CG 3.4Å; R871-R875 PolarHBondContact O-N 2.91Å; R871-R875 VanDerWaalsContact O-N 3.11Å; E872-R875 WeakPolarHBondContact O-CB 3.49Å; E872-R875 PolarHBondContact O-N 3.41Å; E872-R875 VanDerWaalsContact O-N 3.14Å; R875-V877 VanDerWaalsContact C-N 3.29Å; R875-V877 PolarHBondContact O-N 3.45Å; R875-V878 PolarHBondContact O-N 2.84Å; R875-R879 WeakPolarHBondContact O-CB 3.41Å; R875-R879 PolarHBondContact O-N 2.7Å
876	E	90.6	Very high	87.8	Confident	40 Å²	40	57.1 Å²	57.1	19%	0.187	25%	0.249	C	C	.	.	H	α-helix	trans	-59.9	-42	174.1	-165.4	66.2	-128.6	0	0	110.9	V814 Q818 E872 Q873 R879 M880	V814-E876 HydrophobicContact CG1-CB 3.97Å; V814-E876 HydrophobicContact CG1-CG 3.97Å; Q818-E876 PolarHBondContact NE2-OE1 3.26Å; E872-E876 PolarHBondContact O-N 3.09Å; Q873-E876 WeakPolarHBondContact O-CB 3.32Å; Q873-E876 PolarHBondContact O-N 3.31Å; E876-R879 PolarHBondContact O-N 3.15Å; E876-R879 IonicContact OE1-CZ 3.36Å; E876-R879 IonicContact OE1-NH1 3.48Å; E876-R879 PolarHBondContact OE1-NH1 3.16Å; E876-R879 IonicContact OE2-CZ 2.97Å; E876-R879 IonicContact OE2-NH1 2.88Å; E876-R879 PolarHBondContact OE2-NH1 2.97Å; E876-R879 IonicContact OE2-NH2 2.71Å; E876-M880 HydrophobicContact CG-CE 4.24Å; E876-M880 WeakPolarHBondContact O-CG 3.43Å; E876-M880 PolarHBondContact O-N 3.29Å
877	V	91.1	Very high	88.1	Confident	0 Å²	0	55.1 Å²	55.1	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-65.5	-42.2	175.8	177.7	0	0	0	0	112.4	V814 L848 L851 A852 Q873 V874 R875 R879 M880 L881	V814-V877 HydrophobicContact CG1-CG2 4.02Å; V814-V877 HydrophobicContact CG2-CG2 4.26Å; L848-V877 HydrophobicContact CB-CG1 3.89Å; L848-V877 HydrophobicContact CD2-CG1 4.19Å; L848-V877 VanDerWaalsContact O-CG1 3.31Å; L848-V877 WeakPolarHBondContact O-CG1 3.42Å; L851-V877 HydrophobicContact CD2-CG2 4.24Å; L851-V877 HydrophobicContact CG-CG2 4.34Å; A852-V877 HydrophobicContact CB-CB 4.26Å; A852-V877 HydrophobicContact CB-CG1 3.86Å; Q873-V877 WeakPolarHBondContact O-CG2 3.41Å; Q873-V877 PolarHBondContact O-N 2.87Å; Q873-V877 VanDerWaalsContact O-N 3.09Å; V874-V877 PolarHBondContact O-N 3.27Å; R875-V877 VanDerWaalsContact C-N 3.29Å; R875-V877 PolarHBondContact O-N 3.45Å; V877-R879 VanDerWaalsContact C-N 3.34Å; V877-R879 PolarHBondContact O-N 3.03Å; V877-M880 HydrophobicContact CB-CE 4.46Å; V877-M880 HydrophobicContact CG2-CE 3.96Å; V877-M880 WeakPolarHBondContact O-CB 3.29Å; V877-M880 PolarHBondContact O-N 2.78Å; V877-L881 HydrophobicContact CG1-CD1 4.48Å; V877-L881 WeakPolarHBondContact O-CG 3.48Å; V877-L881 PolarHBondContact O-N 3.13Å
878	V	90.1	Very high	88.4	Confident	1 Å²	1	51.4 Å²	51.4	1%	0.006	23%	0.23	C	C	.	.	H	α-helix	trans	-63.3	-39.6	173.4	172	0	0	0	0	111.5	V874 R875 M880 L881 G882 I890 V893 L905 M906	V874-V878 PolarHBondContact O-N 2.98Å; R875-V878 PolarHBondContact O-N 2.84Å; V878-M880 VanDerWaalsContact C-N 3.35Å; V878-M880 PolarHBondContact O-N 2.65Å; V878-L881 PolarHBondContact O-N 3.44Å; V878-G882 PolarHBondContact O-N 3.2Å; V878-I890 HydrophobicContact CG1-CD1 4.3Å; V878-I890 HydrophobicContact CG1-CG1 4.21Å; V878-I890 HydrophobicContact CG1-CG2 3.95Å; V878-V893 HydrophobicContact CG2-CG1 4.14Å; V878-L905 HydrophobicContact CG1-CB 4.08Å; V878-L905 HydrophobicContact CG2-CB 4.48Å; V878-M906 HydrophobicContact CG1-CG 4.26Å
879	R	90.1	Very high	88.7	Confident	131 Å²	131	44.2 Å²	44.2	49%	0.494	20%	0.204	S	C	.	.	H	α-helix	trans	-64.1	-39.4	175.2	-162.9	-169.1	-57.5	129.9	1.1	111.9	R875 E876 V877 G882 R883	R875-R879 WeakPolarHBondContact O-CB 3.41Å; R875-R879 PolarHBondContact O-N 2.7Å; E876-R879 PolarHBondContact O-N 3.15Å; E876-R879 IonicContact OE1-CZ 3.36Å; E876-R879 IonicContact OE1-NH1 3.48Å; E876-R879 PolarHBondContact OE1-NH1 3.16Å; E876-R879 IonicContact OE2-CZ 2.97Å; E876-R879 IonicContact OE2-NH1 2.88Å; E876-R879 PolarHBondContact OE2-NH1 2.97Å; E876-R879 IonicContact OE2-NH2 2.71Å; V877-R879 VanDerWaalsContact C-N 3.34Å; V877-R879 PolarHBondContact O-N 3.03Å; R879-G882 PolarHBondContact O-N 3.34Å; R879-R883 PolarHBondContact O-N 3.21Å
880	M	92	Very high	88.9	Confident	7 Å²	7	41.3 Å²	41.3	3%	0.034	19%	0.186	C	C	.	.	H	α-helix	trans	-61	-49.2	173.3	-80	-169.3	-81.9	0	0	111.8	V814 C817 Q818 M821 L848 E876 V877 V878 G882 R883	V814-M880 HydrophobicContact CG1-CE 3.85Å; C817-M880 HydrophobicContact CB-CE 3.97Å; C817-M880 HydrophobicContact CB-SD 3.72Å; Q818-M880 WeakPolarHBondContact CA-SD 3.33Å; Q818-M880 HydrophobicContact CB-SD 4.13Å; Q818-M880 PolarHBondContact N-SD 2.89Å; M821-M880 HydrophobicContact CB-CG 4.29Å; M821-M880 HydrophobicContact CB-SD 4.29Å; M821-M880 HydrophobicContact CE-CB 4.02Å; M821-M880 WeakPolarHBondContact CE-O 3.45Å; M821-M880 HydrophobicContact CG-CB 4.36Å; M821-M880 HydrophobicContact CG-CG 4.12Å; M821-M880 HydrophobicContact CG-SD 3.84Å; L848-M880 HydrophobicContact CD1-CB 4.25Å; L848-M880 HydrophobicContact CD2-CE 4.11Å; L848-M880 HydrophobicContact CD2-SD 4.33Å; E876-M880 HydrophobicContact CG-CE 4.24Å; E876-M880 WeakPolarHBondContact O-CG 3.43Å; E876-M880 PolarHBondContact O-N 3.29Å; V877-M880 HydrophobicContact CB-CE 4.46Å; V877-M880 HydrophobicContact CG2-CE 3.96Å; V877-M880 WeakPolarHBondContact O-CB 3.29Å; V877-M880 PolarHBondContact O-N 2.78Å; V878-M880 VanDerWaalsContact C-N 3.35Å; V878-M880 PolarHBondContact O-N 2.65Å; M880-G882 VanDerWaalsContact C-N 3.27Å; M880-G882 PolarHBondContact O-N 3.49Å; M880-R883 PolarHBondContact O-N 2.97Å
881	L	90.6	Very high	89	Confident	0 Å²	0	42.8 Å²	42.8	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-59.1	-39	174.7	-69.9	169.9	0	0	0	111.8	C845 L848 V877 V878 V884 N885 A886 H889 I890 V893	C845-L881 HydrophobicContact CB-CD2 3.8Å; L848-L881 HydrophobicContact CB-CD2 3.9Å; L848-L881 HydrophobicContact CB-CG 4.22Å; L848-L881 HydrophobicContact CD1-CD2 3.9Å; L848-L881 HydrophobicContact CD1-CG 4.28Å; V877-L881 HydrophobicContact CG1-CD1 4.48Å; V877-L881 WeakPolarHBondContact O-CG 3.48Å; V877-L881 PolarHBondContact O-N 3.13Å; V878-L881 PolarHBondContact O-N 3.44Å; L881-V884 WeakPolarHBondContact O-CG2 3.45Å; L881-V884 PolarHBondContact O-N 2.93Å; L881-N885 PolarHBondContact O-N 2.87Å; L881-A886 HydrophobicContact CB-CB 4.21Å; L881-A886 HydrophobicContact CD2-CB 3.86Å; L881-A886 PolarHBondContact O-N 3.47Å; L881-H889 HydrophobicContact CD1-CB 3.96Å; L881-H889 HydrophobicContact CD2-CB 3.84Å; L881-H889 HydrophobicContact CG-CB 4.46Å; L881-I890 HydrophobicContact CB-CD1 4.13Å; L881-I890 HydrophobicContact CB-CG1 3.67Å; L881-I890 HydrophobicContact CD1-CG1 4.25Å; L881-V893 HydrophobicContact CD1-CG2 4.39Å
882	G	87.7	Confident	89.1	Confident	28 Å²	28	37.4 Å²	37.4	29%	0.289	18%	0.181	S	C	.	.	H	α-helix	trans	-62.7	-41.8	176.9	0	0	0	0	0	113.3	V878 R879 M880 V884 N885	V878-G882 PolarHBondContact O-N 3.2Å; R879-G882 PolarHBondContact O-N 3.34Å; M880-G882 VanDerWaalsContact C-N 3.27Å; M880-G882 PolarHBondContact O-N 3.49Å; G882-V884 PolarHBondContact O-N 3.41Å; G882-V884 VanDerWaalsContact O-N 3.13Å; G882-N885 PolarHBondContact O-N 2.73Å
883	R	88.9	Confident	89.2	Confident	103 Å²	103	31.4 Å²	31.4	39%	0.389	15%	0.153	S	C	.	.	H	α-helix	trans	-58.1	-26	177.7	177.4	173	171.2	159.7	-5.9	113.3	M821 E822 L824 R879 M880	M821-R883 PolarHBondContact O-NE 3.17Å; M821-R883 PolarHBondContact O-NH2 3.29Å; E822-R883 PolarHBondContact O-NH2 3.26Å; L824-R883 PolarHBondContact O-NH2 3.47Å; R879-R883 PolarHBondContact O-N 3.21Å; M880-R883 PolarHBondContact O-N 2.97Å
884	V	89.9	Confident	89.1	Confident	1 Å²	1	30.4 Å²	30.4	1%	0.006	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109.8	13.9	-177.8	-60.2	0	0	0	0	114.2	M821 L824 F829 T837 L841 L881 G882 A886	M821-V884 HydrophobicContact CE-CB 4.24Å; M821-V884 HydrophobicContact CE-CG1 3.38Å; M821-V884 HydrophobicContact CE-CG2 3.8Å; M821-V884 HydrophobicContact SD-CG1 4.24Å; L824-V884 HydrophobicContact CD1-CG1 4.29Å; F829-V884 HydrophobicContact CD1-CB 3.93Å; F829-V884 HydrophobicContact CD1-CG1 4.3Å; F829-V884 HydrophobicContact CD2-CG1 4.43Å; F829-V884 HydrophobicContact CE1-CB 3.69Å; F829-V884 HydrophobicContact CE1-CG1 3.78Å; F829-V884 HydrophobicContact CE2-CG1 3.93Å; F829-V884 HydrophobicContact CG-CB 4.49Å; F829-V884 HydrophobicContact CZ-CB 4.05Å; F829-V884 HydrophobicContact CZ-CG1 3.58Å; T837-V884 WeakPolarHBondContact CB-O 3.37Å; T837-V884 PolarHBondContact OG1-O 3.39Å; L841-V884 HydrophobicContact CD1-CB 4.38Å; L841-V884 HydrophobicContact CD1-CG1 4.24Å; L881-V884 WeakPolarHBondContact O-CG2 3.45Å; L881-V884 PolarHBondContact O-N 2.93Å; G882-V884 PolarHBondContact O-N 3.41Å; G882-V884 VanDerWaalsContact O-N 3.13Å; V884-A886 VanDerWaalsContact C-N 3.28Å; V884-A886 HydrophobicContact CG2-CB 4.06Å; V884-A886 PolarHBondContact O-N 3.01Å
885	N	88.8	Confident	89	Confident	34 Å²	34	37.1 Å²	37.1	18%	0.182	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.7	32.7	-177.6	-162.5	72.3	0	0	0	114.4	L832 G834 H836 L881 G882 L887	L832-N885 HydrophobicContact CB-CB 4.42Å; L832-N885 HydrophobicContact CD1-CB 4.08Å; G834-N885 PolarHBondContact O-ND2 2.7Å; H836-N885 CarbonylContact C-O 3.59Å; H836-N885 PolarHBondContact O-ND2 2.93Å; H836-N885 VanDerWaalsContact O-ND2 3.11Å; L881-N885 PolarHBondContact O-N 2.87Å; G882-N885 PolarHBondContact O-N 2.73Å; N885-L887 PolarHBondContact O-N 3.2Å; N885-L887 VanDerWaalsContact O-N 3.12Å
886	A	89.4	Confident	88.8	Confident	0 Å²	0	37 Å²	37	0%	0	18%	0.182	C	C	.	.			trans	-86.3	60.9	174.2	0	0	0	0	0	110.8	T837 C845 L881 V884 D888 H889 I890	T837-A886 HydrophobicContact CG2-CB 4.34Å; C845-A886 HydrophobicContact CB-CB 4.23Å; L881-A886 HydrophobicContact CB-CB 4.21Å; L881-A886 HydrophobicContact CD2-CB 3.86Å; L881-A886 PolarHBondContact O-N 3.47Å; V884-A886 VanDerWaalsContact C-N 3.28Å; V884-A886 HydrophobicContact CG2-CB 4.06Å; V884-A886 PolarHBondContact O-N 3.01Å; A886-D888 VanDerWaalsContact C-N 3.34Å; A886-D888 VanDerWaalsContact C-OD1 3.31Å; A886-H889 HydrophobicContact CB-CB 4.24Å; A886-H889 PolarHBondContact O-N 2.78Å; A886-I890 WeakPolarHBondContact O-CG1 3.43Å; A886-I890 PolarHBondContact O-N 3.46Å
887	L	86.6	Confident	88.5	Confident	59 Å²	59	36.5 Å²	36.5	31%	0.309	18%	0.18	S	C	.	.	H	α-helix	trans	-70.2	-32.2	-173.5	-56.4	179.9	0	0	0	112.2	Q835 N885 I890 I891	Q835-L887 HydrophobicContact CB-CB 4.08Å; Q835-L887 HydrophobicContact CG-CB 4.24Å; Q835-L887 PolarHBondContact O-N 3.07Å; N885-L887 PolarHBondContact O-N 3.2Å; N885-L887 VanDerWaalsContact O-N 3.12Å; L887-I890 HydrophobicContact CD2-CD1 4.17Å; L887-I890 PolarHBondContact O-N 3.39Å; L887-I891 WeakPolarHBondContact O-CD1 3.41Å; L887-I891 VanDerWaalsContact O-CG1 3.29Å; L887-I891 WeakPolarHBondContact O-CG1 3.25Å; L887-I891 PolarHBondContact O-N 3.05Å
888	D	89.1	Confident	87.8	Confident	34 Å²	34	39.3 Å²	39.3	18%	0.182	21%	0.21	C	C	.	.	H	α-helix	trans	-56.8	-46.3	170.3	54.1	-9.5	0	0	0	112.5	Q835 H836 A886 I891 A892	Q835-D888 HydrophobicContact CB-CB 4.25Å; Q835-D888 PolarHBondContact O-N 2.94Å; Q835-D888 VanDerWaalsContact O-N 3.07Å; Q835-D888 VanDerWaalsContact O-OD1 3.11Å; H836-D888 IonicContact CE1-OD2 2.74Å; H836-D888 IonicContact CG-OD2 2.67Å; H836-D888 IonicContact ND1-OD2 3.15Å; H836-D888 PolarHBondContact ND1-OD2 3.07Å; A886-D888 VanDerWaalsContact C-N 3.34Å; A886-D888 VanDerWaalsContact C-OD1 3.31Å; D888-I891 PolarHBondContact O-N 3.32Å; D888-A892 PolarHBondContact O-N 3.08Å
889	H	90.1	Very high	87.2	Confident	17 Å²	17	41.4 Å²	41.4	8%	0.079	22%	0.222	C	C	.	.	H	α-helix	trans	-66.3	-36.8	174.7	-71.5	-79.7	0	0	0	112.3	E842 T849 L881 A886 A892 V893	E842-H889 IonicContact OE1-CE1 3.53Å; E842-H889 IonicContact OE1-NE2 3.13Å; E842-H889 IonicContact OE2-CD2 3.13Å; E842-H889 IonicContact OE2-CE1 3.46Å; E842-H889 IonicContact OE2-NE2 2.71Å; E842-H889 PolarHBondContact OE2-NE2 3.46Å; T849-H889 WeakPolarHBondContact OG1-CB 3.34Å; T849-H889 PolarHBondContact OG1-ND1 3.1Å; T849-H889 VanDerWaalsContact OG1-ND1 3.15Å; L881-H889 HydrophobicContact CD1-CB 3.96Å; L881-H889 HydrophobicContact CD2-CB 3.84Å; L881-H889 HydrophobicContact CG-CB 4.46Å; A886-H889 HydrophobicContact CB-CB 4.24Å; A886-H889 PolarHBondContact O-N 2.78Å; H889-A892 PolarHBondContact O-N 3.47Å; H889-V893 WeakPolarHBondContact O-CG2 3.35Å; H889-V893 PolarHBondContact O-N 3.04Å
890	I	88.3	Confident	86	Confident	1 Å²	1	45.5 Å²	45.5	1%	0.005	24%	0.244	C	C	.	.	H	α-helix	trans	-63.7	-41.4	174.1	-63.6	172.5	0	0	0	111.2	V878 L881 A886 L887 V893 A894 I902	V878-I890 HydrophobicContact CG1-CD1 4.3Å; V878-I890 HydrophobicContact CG1-CG1 4.21Å; V878-I890 HydrophobicContact CG1-CG2 3.95Å; L881-I890 HydrophobicContact CB-CD1 4.13Å; L881-I890 HydrophobicContact CB-CG1 3.67Å; L881-I890 HydrophobicContact CD1-CG1 4.25Å; A886-I890 WeakPolarHBondContact O-CG1 3.43Å; A886-I890 PolarHBondContact O-N 3.46Å; L887-I890 HydrophobicContact CD2-CD1 4.17Å; L887-I890 PolarHBondContact O-N 3.39Å; I890-V893 PolarHBondContact O-N 3.4Å; I890-A894 WeakPolarHBondContact O-CB 3.4Å; I890-A894 PolarHBondContact O-N 3.42Å; I890-I902 HydrophobicContact CG2-CG2 3.59Å
891	I	87.9	Confident	84.8	Confident	45 Å²	45	48.1 Å²	48.1	23%	0.231	26%	0.258	C	S	.	.	H	α-helix	trans	-60.1	-47.9	175.1	-67.9	158.6	0	0	0	109.8	L887 D888 V893 A894 E895 I902	L887-I891 WeakPolarHBondContact O-CD1 3.41Å; L887-I891 VanDerWaalsContact O-CG1 3.29Å; L887-I891 WeakPolarHBondContact O-CG1 3.25Å; L887-I891 PolarHBondContact O-N 3.05Å; D888-I891 PolarHBondContact O-N 3.32Å; I891-V893 PolarHBondContact O-N 3.17Å; I891-A894 PolarHBondContact O-N 3.19Å; I891-A894 VanDerWaalsContact O-N 3.12Å; I891-E895 HydrophobicContact CG2-CG 4.33Å; I891-E895 WeakPolarHBondContact O-CG 3.46Å; I891-E895 PolarHBondContact O-N 3.26Å; I891-I902 HydrophobicContact CG1-CD1 3.66Å
892	A	88.3	Confident	83.5	Confident	40 Å²	40	51 Å²	51	33%	0.331	27%	0.273	S	S	.	.	H	α-helix	trans	-60.7	-40.3	178.9	0	0	0	0	0	113.5	D888 H889 E896	D888-A892 PolarHBondContact O-N 3.08Å; H889-A892 PolarHBondContact O-N 3.47Å; A892-E896 PolarHBondContact O-N 2.85Å; A892-E896 VanDerWaalsContact O-N 3.07Å
893	V	87.6	Confident	82.3	Confident	0 Å²	0	56.1 Å²	56.1	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-65.6	-41.9	173.3	175	0	0	0	0	111.1	T849 A852 V878 L881 H889 I890 I891 H897	T849-V893 HydrophobicContact CG2-CG2 3.89Å; A852-V893 HydrophobicContact CB-CG1 4.14Å; A852-V893 HydrophobicContact CB-CG2 4.25Å; V878-V893 HydrophobicContact CG2-CG1 4.14Å; L881-V893 HydrophobicContact CD1-CG2 4.39Å; H889-V893 WeakPolarHBondContact O-CG2 3.35Å; H889-V893 PolarHBondContact O-N 3.04Å; I890-V893 PolarHBondContact O-N 3.4Å; I891-V893 PolarHBondContact O-N 3.17Å; V893-H897 VanDerWaalsContact O-CB 3.32Å; V893-H897 WeakPolarHBondContact O-CB 3.45Å; V893-H897 PolarHBondContact O-N 3.09Å
894	A	86.6	Confident	80.9	Confident	3 Å²	3	56.4 Å²	56.4	3%	0.025	29%	0.293	C	S	.	.	H	α-helix	trans	-64.9	-40.6	178.5	0	0	0	0	0	112.2	I890 I891 H897 G898 V899 I902 L905	I890-A894 WeakPolarHBondContact O-CB 3.4Å; I890-A894 PolarHBondContact O-N 3.42Å; I891-A894 PolarHBondContact O-N 3.19Å; I891-A894 VanDerWaalsContact O-N 3.12Å; A894-H897 CarbonylContact O-C 3.56Å; A894-H897 PolarHBondContact O-N 2.9Å; A894-G898 PolarHBondContact O-N 3.07Å; A894-V899 PolarHBondContact O-N 2.99Å; A894-I902 HydrophobicContact CB-CG1 3.99Å; A894-L905 HydrophobicContact CB-CD1 3.69Å
895	E	86.3	Confident	79.4	Confident	148 Å²	148	57.2 Å²	57.2	69%	0.692	30%	0.297	S	S	*	.	H	α-helix	trans	-64.6	-49.2	175.8	-74	-177.7	175	0	0	112.2	I891 H897 G898	I891-E895 HydrophobicContact CG2-CG 4.33Å; I891-E895 WeakPolarHBondContact O-CG 3.46Å; I891-E895 PolarHBondContact O-N 3.26Å; E895-H897 PolarHBondContact O-N 3.01Å; E895-G898 PolarHBondContact O-N 2.85Å
896	E	84.9	Confident	78	Confident	84 Å²	84	60.5 Å²	60.5	39%	0.393	31%	0.312	S	S	.	.	H	α-helix	trans	-64.6	-29.6	178.4	-168.8	173.3	148.1	0	0	112.1	N853 R857 A892	N853-E896 PolarHBondContact ND2-OE2 3.28Å; R857-E896 IonicContact CZ-OE1 2.78Å; R857-E896 IonicContact NE-OE1 3.47Å; R857-E896 PolarHBondContact NE-OE1 3.25Å; R857-E896 IonicContact NH2-OE1 3.21Å; R857-E896 PolarHBondContact NH2-OE1 3.42Å; R857-E896 IonicContact NH2-OE2 3.75Å; A892-E896 PolarHBondContact O-N 2.85Å; A892-E896 VanDerWaalsContact O-N 3.07Å
897	H	83.7	Confident	75.9	Confident	30 Å²	30	66.5 Å²	66.5	14%	0.139	34%	0.341	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88	1.2	175.8	-62.6	177.5	0	0	0	113.8	H856 V893 A894 E895 V899	H856-H897 WeakPolarHBondContact CB-NE2 3.42Å; H856-H897 AromaticContact CD2-CD2 3.18Å; H856-H897 PolarHBondContact CD2-CD2 3.05Å; H856-H897 AromaticContact CD2-CG 3.8Å; H856-H897 AromaticContact CD2-NE2 3.56Å; H856-H897 AromaticContact CG-CD2 3.58Å; H856-H897 AromaticContact CG-CE1 3.95Å; H856-H897 AromaticContact CG-NE2 3.48Å; H856-H897 AromaticContact NE2-CD2 3.98Å; V893-H897 VanDerWaalsContact O-CB 3.32Å; V893-H897 WeakPolarHBondContact O-CB 3.45Å; V893-H897 PolarHBondContact O-N 3.09Å; A894-H897 CarbonylContact O-C 3.56Å; A894-H897 PolarHBondContact O-N 2.9Å; E895-H897 PolarHBondContact O-N 3.01Å; H897-V899 VanDerWaalsContact C-N 3.27Å; H897-V899 HydrophobicContact CB-CG2 4.08Å; H897-V899 PolarHBondContact O-N 2.8Å
898	G	77.3	Confident	73.7	Confident	60 Å²	60	69.5 Å²	69.5	62%	0.619	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.6	18.4	178.9	0	0	0	0	0	115.4	A894 E895 K900	A894-G898 PolarHBondContact O-N 3.07Å; E895-G898 PolarHBondContact O-N 2.85Å; G898-K900 PolarHBondContact O-N 2.91Å
899	V	77.9	Confident	70.9	Confident	45 Å²	45	80.5 Å²	80.5	27%	0.273	41%	0.407	S	S	.	.			trans	-87.7	107.7	-175.4	-177.3	0	0	0	0	110.4	A894 H897 D901 L905	A894-V899 PolarHBondContact O-N 2.99Å; H897-V899 VanDerWaalsContact C-N 3.27Å; H897-V899 HydrophobicContact CB-CG2 4.08Å; H897-V899 PolarHBondContact O-N 2.8Å; V899-D901 VanDerWaalsContact C-N 3.27Å; V899-D901 WeakPolarHBondContact CG1-O 3.46Å; V899-D901 PolarHBondContact O-N 3.27Å; V899-L905 HydrophobicContact CB-CD1 4.02Å; V899-L905 HydrophobicContact CG1-CD1 3.98Å; V899-L905 HydrophobicContact CG1-CG 4.1Å; V899-L905 HydrophobicContact CG2-CD1 4.27Å
900	K	63.2	Low	70	Confident	216 Å²	216	83.7 Å²	83.7	94%	0.939	42%	0.424	S	S	*	.	S	Bend	trans	-73.8	-10.1	-176.6	-63.8	-171.9	178	-175.4	0	115.6	G898	G898-K900 PolarHBondContact O-N 2.91Å
901	D	66.5	Low	69	Low	63 Å²	63	88.1 Å²	88.1	34%	0.337	45%	0.446	S	S	.	.			trans	-134.1	104.1	-177.4	178	9.9	0	0	0	109.9	V899 K903 Q904	V899-D901 VanDerWaalsContact C-N 3.27Å; V899-D901 WeakPolarHBondContact CG1-O 3.46Å; V899-D901 PolarHBondContact O-N 3.27Å; D901-K903 PolarHBondContact O-N 3.24Å; D901-K903 WeakPolarHBondContact OD1-CB 3.38Å; D901-K903 PolarHBondContact OD1-N 3.24Å; D901-K903 VanDerWaalsContact OD1-N 3.07Å; D901-Q904 HydrophobicContact CB-CG 4.14Å; D901-Q904 WeakPolarHBondContact O-CB 3.3Å; D901-Q904 PolarHBondContact O-N 3.12Å; D901-Q904 VanDerWaalsContact O-N 3.08Å; D901-Q904 WeakPolarHBondContact OD2-CG 3.34Å; D901-Q904 PolarHBondContact OD2-NE2 2.82Å
902	I	64.3	Low	67.9	Low	60 Å²	60	90.4 Å²	90.4	31%	0.308	46%	0.458	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62	-25.6	-176.7	-64.8	164.1	0	0	0	111.3	I890 I891 A894 Q904 L905 M906	I890-I902 HydrophobicContact CG2-CG2 3.59Å; I891-I902 HydrophobicContact CG1-CD1 3.66Å; A894-I902 HydrophobicContact CB-CG1 3.99Å; I902-Q904 PolarHBondContact O-N 3.29Å; I902-L905 PolarHBondContact O-N 3.3Å; I902-M906 HydrophobicContact CG2-CG 4.38Å; I902-M906 HydrophobicContact CG2-SD 4.02Å; I902-M906 PolarHBondContact O-N 2.91Å
903	K	62.4	Low	66.8	Low	135 Å²	135	93.4 Å²	93.4	59%	0.587	47%	0.465	S	S	*	.	H	α-helix	trans	-60.7	-34.5	175.8	-63.3	-174.3	175.9	-174.8	0	111.8	D901 L905 M906 E907	D901-K903 PolarHBondContact O-N 3.24Å; D901-K903 WeakPolarHBondContact OD1-CB 3.38Å; D901-K903 PolarHBondContact OD1-N 3.24Å; D901-K903 VanDerWaalsContact OD1-N 3.07Å; K903-L905 PolarHBondContact O-N 2.56Å; K903-L905 VanDerWaalsContact O-N 3.1Å; K903-M906 PolarHBondContact O-N 2.67Å; K903-E907 HydrophobicContact CB-CG 4.44Å; K903-E907 WeakPolarHBondContact O-CB 3.22Å; K903-E907 WeakPolarHBondContact O-CG 3.17Å; K903-E907 PolarHBondContact O-N 2.88Å
904	Q	59.5	Low	65.4	Low	109 Å²	109	99.3 Å²	99.3	51%	0.509	49%	0.494	S	S	.	.	H	α-helix	trans	-69.5	-8.9	178.7	-59.4	176.2	28.7	0	0	114	D901 I902	D901-Q904 HydrophobicContact CB-CG 4.14Å; D901-Q904 WeakPolarHBondContact O-CB 3.3Å; D901-Q904 PolarHBondContact O-N 3.12Å; D901-Q904 VanDerWaalsContact O-N 3.08Å; D901-Q904 WeakPolarHBondContact OD2-CG 3.34Å; D901-Q904 PolarHBondContact OD2-NE2 2.82Å; I902-Q904 PolarHBondContact O-N 3.29Å
905	L	58.6	Low	64	Low	19 Å²	19	105.7 Å²	105.7	10%	0.099	53%	0.525	C	S	.	.	H	α-helix	trans	-100.1	-19.9	170.3	-68.5	164.8	0	0	0	112.9	V878 A894 V899 I902 K903	V878-L905 HydrophobicContact CG1-CB 4.08Å; V878-L905 HydrophobicContact CG2-CB 4.48Å; A894-L905 HydrophobicContact CB-CD1 3.69Å; V899-L905 HydrophobicContact CB-CD1 4.02Å; V899-L905 HydrophobicContact CG1-CD1 3.98Å; V899-L905 HydrophobicContact CG1-CG 4.1Å; V899-L905 HydrophobicContact CG2-CD1 4.27Å; I902-L905 PolarHBondContact O-N 3.3Å; K903-L905 PolarHBondContact O-N 2.56Å; K903-L905 VanDerWaalsContact O-N 3.1Å
906	M	58.6	Low	62.4	Low	103 Å²	103	102.6 Å²	102.6	51%	0.507	51%	0.513	S	S	.	.	H	α-helix	trans	-100	-27.1	-179.8	-63.8	-177.5	71	0	0	113.8	V878 I902 K903 V908	V878-M906 HydrophobicContact CG1-CG 4.26Å; I902-M906 HydrophobicContact CG2-CG 4.38Å; I902-M906 HydrophobicContact CG2-SD 4.02Å; I902-M906 PolarHBondContact O-N 2.91Å; K903-M906 PolarHBondContact O-N 2.67Å; M906-V908 PolarHBondContact O-N 3.42Å
907	E	45.9	Very low	60.7	Low	126 Å²	126	104.1 Å²	104.1	59%	0.589	52%	0.523	S	S	*	.			trans	-70.5	124.9	-178.5	-77.6	174.9	-175.5	0	0	111.7	K903	K903-E907 HydrophobicContact CB-CG 4.44Å; K903-E907 WeakPolarHBondContact O-CB 3.22Å; K903-E907 WeakPolarHBondContact O-CG 3.17Å; K903-E907 PolarHBondContact O-N 2.88Å
908	V	40.3	Very low	58.8	Low	121 Å²	121	110.3 Å²	110.3	73%	0.733	56%	0.555	S	S	*	*			trans	-80	141.9	169.7	179.6	0	0	0	0	109	M906	M906-V908 PolarHBondContact O-N 3.42Å
909	K	31.2	Very low	57.1	Low	266 Å²	266	114.8 Å²	114.8	100%	1.157	55%	0.549	S	S	*	.			trans	-141.7	0	171.1	-150.1	-174.3	-170.6	-174.8	0	109.8

Retrieved 909 of 909 residues in 164.2 ms (Link to these results)

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