A0A087Y3F0_POEFO Loading...

Pleckstrin and Sec7 domain containing

AlphaFold DB , UniProt , Accession A0A087Y3F0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 924 aa.

						>A0A087Y3F0_POEFO|A0A087Y3F0
MLSWFQGPVRGRAEAAPPLPHLLLSLISPELSLVQSDRTAPSSPSSRSQKIARAKWDFLFGGLTDPGRRSRDVSSVTPPTSGSPSPTPPSSLHLQPTSQRRGRDQQNQKLSHHEVQQVEVELVTPDPRGPAPKTGIIRRSIKYSETDLDAVPLRCYRETDLDEVMRAEAEAAEEADLGFSRSILGRSCFSPEDGSSRFDPTGRREQNGQVEEGDEDEEEEEGVASWASVRMQGDRQRQRAAREEDEVLSLLLKGPTAPPSEAHGDLKLPVAAGVARRPSESQLDSFSRHFENIMESHRAKGTSYSSLDSVDLLTSGSTSVFTFDLPTLTPEIQSQICESAKQILELSFAPLTRPESSSDTALGAGPGPPVRSQSEKDTWRRSIVRDSFRKATSVPALHSRERPADRPPDQPDPDVLEVLTNGLKPDLQAARRLAKRLYALDGFRKSDVAPHLSKNNDFSQMVAQEYLEHFNFSGMNIDQALRTFLTRFALMGETQERERVLAHFSRRYRQCNPETLSTEGSVHTLTCAVMLLNTDLHGNNVGKRMSCSQFISNLEGLNDGKDFPKDLLKTLYSSIRNEKLQWTIDEEELRKSASELADGRTDSASQTMRRVAGGNSLVGVAQQADGELYKSGFLVRKVHADPDGKRTPRGKRGWKTFYAMLKGLVLYLQKDEYRTERDPTEDDVKNAVSVHHALAMRAADYRKRPNVFYLRTADWRVFLLQAPSAEQMQSWITRINAVAAMFSAPPFPAAIGSQKRFSRPLLPGSNTKLTQDEQLQAHENRFRAVSSELTELAGATPDRRVKGRELEEQKLRREYLEFEKTRYGTYAMLLRAKMADGGADLAAFEARLCGDGGLQRAHSSPSLPQDAAAARDKSRGAKTSRSLKATPSSSSSSVTKSSAKEGAGPKNGQRAELQKQSSKQEEAA
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	30.3	Very low	27.7	Very low	225 Å²	225	146.4 Å²	146.4	100%	1.108	77%	0.774	S	S	*	*				0	112.6	0	172.6	-169.6	-73.8	0	0	107
2	L	27.5	Very low	27.6	Very low	159 Å²	159	155.6 Å²	155.6	83%	0.832	79%	0.791	S	S	*	*			trans	60.6	155.7	172.2	-58.5	170.1	0	0	0	117.6
3	S	24.1	Very low	27.5	Very low	80 Å²	80	149.5 Å²	149.5	56%	0.559	78%	0.779	S	S	*	*			cis	-168.7	122.3	-44	47.2	0	0	0	0	112
4	W	25.8	Very low	27.4	Very low	221 Å²	221	152.4 Å²	152.4	84%	0.837	79%	0.787	S	S	*	*			trans	68.2	170.1	146.9	-58.6	28.1	0	0	0	114.6
5	F	27	Very low	27.4	Very low	145 Å²	145	148.9 Å²	148.9	64%	0.636	79%	0.789	S	S	*	*			cis	-151.1	151.8	21.9	-118.6	-69	0	0	0	112.2
6	Q	27.6	Very low	27.4	Very low	171 Å²	171	145.3 Å²	145.3	80%	0.799	79%	0.786	S	S	*	*			trans	45.4	137.3	148.9	-85.2	157.3	-6.9	0	0	123.9
7	G	24.2	Very low	28.3	Very low	65 Å²	65	143.7 Å²	143.7	67%	0.67	79%	0.786	S	S	*	*			trans	-102.2	-130.1	151.1	0	0	0	0	0	110.3
8	P	38.9	Very low	29	Very low	120 Å²	120	142.3 Å²	142.3	78%	0.779	79%	0.785	S	S	*	*			cis	-145	-162.7	-19.5	25.4	2.2	0	0	0	113.6
9	V	26.6	Very low	28.8	Very low	110 Å²	110	142.6 Å²	142.6	67%	0.667	78%	0.784	S	S	*	*			trans	90.6	123.3	150	-172.1	0	0	0	0	122.3
10	R	26.1	Very low	29.2	Very low	246 Å²	246	141 Å²	141	93%	0.928	78%	0.781	S	S	*	*			trans	64.7	151	156.4	-71.7	162.9	-163.7	-179.5	3.3	120
11	G	26.9	Very low	29.1	Very low	68 Å²	68	141.7 Å²	141.7	70%	0.701	78%	0.778	S	S	*	*			cis	147.6	155.3	-13	0	0	0	0	0	115.7
12	R	25.8	Very low	28.9	Very low	257 Å²	257	137.9 Å²	137.9	97%	0.97	76%	0.761	S	S	*	*			trans	68.4	153.9	178.2	-75.9	-176.3	173.1	-175.3	-4.1	115.8
13	A	26.9	Very low	28.7	Very low	77 Å²	77	136.7 Å²	136.7	64%	0.636	76%	0.755	S	S	*	*			cis	-160.1	-172.6	-14.8	0	0	0	0	0	110.4
14	E	25.6	Very low	28.7	Very low	190 Å²	190	139.7 Å²	139.7	89%	0.888	76%	0.764	S	S	*	*			trans	-7.5	149.1	157.6	-73	156.3	108.4	0	0	119.8
15	A	27.5	Very low	28.6	Very low	99 Å²	99	133.4 Å²	133.4	82%	0.818	75%	0.754	S	S	*	*			cis	-158.8	-176.7	2.5	0	0	0	0	0	111.8
16	A	27.5	Very low	28.5	Very low	91 Å²	91	134 Å²	134	75%	0.752	76%	0.763	S	S	*	*			trans	-104.2	-173.8	172.5	0	0	0	0	0	110.9
17	P	42.5	Very low	28.4	Very low	119 Å²	119	133.4 Å²	133.4	77%	0.773	76%	0.764	S	S	*	*			cis	-121.9	-150.9	-10.1	39.3	-18	0	0	0	109.8
18	P	40.9	Very low	28.5	Very low	119 Å²	119	136 Å²	136	77%	0.773	77%	0.772	S	S	*	*			cis	-138.1	-171.7	-0.6	43.6	-23.1	0	0	0	117.9
19	L	25.2	Very low	28.5	Very low	148 Å²	148	136.1 Å²	136.1	78%	0.775	77%	0.772	S	S	*	*			trans	-51.2	166.6	167.1	-71.6	167.3	0	0	0	114.2
20	P	38.1	Very low	28.5	Very low	109 Å²	109	139.3 Å²	139.3	71%	0.708	78%	0.78	S	S	*	*			cis	-152.8	161.6	34.7	45.8	-25.4	0	0	0	121.3
21	H	25.9	Very low	28.6	Very low	156 Å²	156	135.1 Å²	135.1	72%	0.722	78%	0.775	S	S	*	*			trans	46.5	143.8	136.3	-82.3	-84.7	0	0	0	125.7
22	L	25.5	Very low	28.5	Very low	145 Å²	145	136.7 Å²	136.7	76%	0.759	78%	0.775	S	S	*	*			trans	78.3	145.6	152.2	-66.4	162	0	0	0	116.5
23	L	24.6	Very low	28.5	Very low	134 Å²	134	132 Å²	132	70%	0.702	77%	0.768	S	S	*	*			cis	-152.8	161.2	4.6	-107.6	155	0	0	0	113.1
24	L	24.2	Very low	28.5	Very low	143 Å²	143	133.8 Å²	133.8	75%	0.749	77%	0.772	S	S	*	*			trans	45.9	116.2	146.9	-78.6	168.7	0	0	0	124.1
25	S	23.5	Very low	28.6	Very low	89 Å²	89	133.1 Å²	133.1	62%	0.622	77%	0.768	S	S	*	*				76.9	135.1	115.7	78.7	0	0	0	0	123.8
26	L	23.7	Very low	28.5	Very low	159 Å²	159	134.4 Å²	134.4	83%	0.832	77%	0.772	S	S	*	*			trans	62.5	120.4	143.2	-67.1	164.7	0	0	0	119.4
27	I	25.7	Very low	28.5	Very low	158 Å²	158	137.6 Å²	137.6	81%	0.81	78%	0.776	S	S	*	*				-168.2	146.2	114.7	-95.6	152.2	0	0	0	109.3
28	S	27.1	Very low	27.7	Very low	120 Å²	120	143.7 Å²	143.7	84%	0.839	78%	0.783	S	S	*	*			trans	-147.7	143.7	163	-58	0	0	0	0	108.7
29	P	39.4	Very low	27.1	Very low	122 Å²	122	144.8 Å²	144.8	79%	0.792	79%	0.788	S	S	*	*			trans	-131.2	163.2	149.1	23.5	-4.2	0	0	0	113.1
30	E	25.7	Very low	27.3	Very low	177 Å²	177	141.9 Å²	141.9	83%	0.827	79%	0.786	S	S	*	*			trans	-71.8	160.4	176.3	-59.9	174.2	94.1	0	0	111.8
31	L	28.7	Very low	27	Very low	157 Å²	157	143 Å²	143	82%	0.822	79%	0.792	S	S	*	*				-169.6	175.3	72.2	-87.2	172.1	0	0	0	110
32	S	24.2	Very low	27.2	Very low	102 Å²	102	141.1 Å²	141.1	71%	0.713	80%	0.797	S	S	*	*			cis	-157.2	179.9	6.6	26.4	0	0	0	0	111.4
33	L	26.1	Very low	27.7	Very low	157 Å²	157	139.2 Å²	139.2	82%	0.822	80%	0.796	S	S	*	*			trans	-55.5	164.2	164.6	-78.9	58.8	0	0	0	112.8
34	V	27	Very low	28.3	Very low	116 Å²	116	136.9 Å²	136.9	70%	0.703	79%	0.789	S	S	*	*			cis	-145.6	140.8	34.4	173.8	0	0	0	0	113.5
35	Q	26.7	Very low	29.2	Very low	175 Å²	175	133.5 Å²	133.5	82%	0.818	78%	0.777	S	S	*	*			trans	18.2	132.5	156.3	-59.3	166.7	-32.3	0	0	123.1
36	S	25.5	Very low	29.7	Very low	127 Å²	127	132.5 Å²	132.5	89%	0.888	77%	0.77	S	S	*	*				-164.4	157.6	118.1	-81.1	0	0	0	0	111.4
37	D	27.2	Very low	30.3	Very low	157 Å²	157	134 Å²	134	84%	0.84	77%	0.765	S	S	*	*			trans	-66.8	141.9	-166.4	-86.3	-61.4	0	0	0	117
38	R	27.5	Very low	30.7	Very low	247 Å²	247	129.7 Å²	129.7	93%	0.932	75%	0.748	S	S	*	*			trans	-161.2	117	147.1	-115.4	173.5	-175.1	-163.1	0.1	112.1
39	T	28.1	Very low	31.3	Very low	142 Å²	142	129 Å²	129	87%	0.871	73%	0.732	S	S	*	*			trans	-79.5	132.9	174.8	47	0	0	0	0	112.1
40	A	28.8	Very low	31.2	Very low	88 Å²	88	130.1 Å²	130.1	73%	0.727	72%	0.724	S	S	*	*			trans	-110.5	153.8	171.4	0	0	0	0	0	110.4
41	P	32.7	Very low	31.9	Very low	131 Å²	131	125.9 Å²	125.9	85%	0.851	71%	0.707	S	S	*	*	P	Polyproline II helix	trans	-67.2	138.9	-169.4	25.9	-34.8	0	0	0	113.3	S43	P41-S43 PolarHBondContact O-N 3.42Å
42	S	30.1	Very low	32.2	Very low	118 Å²	118	120.9 Å²	120.9	83%	0.825	69%	0.688	S	S	*	*	P	Polyproline II helix	trans	-64.1	121.5	179.8	56.7	0	0	0	0	112.2
43	S	34.2	Very low	32.8	Very low	105 Å²	105	125 Å²	125	73%	0.734	69%	0.688	S	S	*	*	P	Polyproline II helix	trans	-67.8	139.5	170.5	51.8	0	0	0	0	111.1	P41	P41-S43 PolarHBondContact O-N 3.42Å
44	P	38.5	Very low	33.3	Very low	85 Å²	85	120.5 Å²	120.5	55%	0.552	67%	0.673	S	S	*	*	P	Polyproline II helix	trans	-70.2	139.2	-177.7	27.6	-34.1	0	0	0	111.2
45	S	41.8	Very low	33.7	Very low	72 Å²	72	121.5 Å²	121.5	50%	0.503	67%	0.668	S	S	.	*			trans	-45.5	138.8	-177	-179.7	0	0	0	0	113.7	R47 S48 Q49	S45-R47 PolarHBondContact O-N 2.93Å; S45-R47 PolarHBondContact OG-N 2.74Å; S45-S48 WeakPolarHBondContact O-CA 3.28Å; S45-S48 WeakPolarHBondContact O-CB 3.39Å; S45-S48 PolarHBondContact O-N 2.73Å; S45-Q49 PolarHBondContact O-N 3.15Å
46	S	35.9	Very low	34.2	Very low	67 Å²	67	121.6 Å²	121.6	47%	0.469	66%	0.661	S	S	.	*	H	α-helix	trans	-51.8	-28.8	173.4	-174	0	0	0	0	112.9	K50	S46-K50 WeakPolarHBondContact O-CB 3.31Å; S46-K50 VanDerWaalsContact O-CG 3.28Å; S46-K50 WeakPolarHBondContact O-CG 3.32Å; S46-K50 PolarHBondContact O-N 3.31Å; S46-K50 VanDerWaalsContact O-N 3.11Å
47	R	35.1	Very low	34.8	Very low	192 Å²	192	120 Å²	120	73%	0.725	64%	0.642	S	S	*	*	H	α-helix	trans	-65.8	-42.6	174.1	-169.3	174.1	-175.4	167.7	1.3	112	S45 K50 I51	S45-R47 PolarHBondContact O-N 2.93Å; S45-R47 PolarHBondContact OG-N 2.74Å; R47-K50 PolarHBondContact O-N 3.05Å; R47-I51 HydrophobicContact CG-CD1 4.11Å; R47-I51 VanDerWaalsContact O-CG1 3.31Å; R47-I51 WeakPolarHBondContact O-CG1 3.32Å; R47-I51 PolarHBondContact O-N 3.21Å
48	S	34.4	Very low	35.2	Very low	66 Å²	66	121 Å²	121	46%	0.462	64%	0.639	S	S	.	*	H	α-helix	trans	-67.2	-41.3	178.3	-52.8	0	0	0	0	111.8	S45 K50 I51 A52	S45-S48 WeakPolarHBondContact O-CA 3.28Å; S45-S48 WeakPolarHBondContact O-CB 3.39Å; S45-S48 PolarHBondContact O-N 2.73Å; S48-K50 PolarHBondContact O-N 3.48Å; S48-I51 PolarHBondContact O-N 2.88Å; S48-A52 WeakPolarHBondContact O-CB 3.49Å; S48-A52 PolarHBondContact O-N 3.14Å
49	Q	39	Very low	35.4	Very low	107 Å²	107	114.9 Å²	114.9	50%	0.5	62%	0.624	S	S	.	*	H	α-helix	trans	-64.5	-38.6	176.2	-65.8	-177.5	-8.7	0	0	112.5	S45 A52 R53	S45-Q49 PolarHBondContact O-N 3.15Å; Q49-A52 PolarHBondContact O-N 3.32Å; Q49-R53 PolarHBondContact O-N 2.93Å
50	K	37.5	Very low	35.9	Very low	144 Å²	144	115.2 Å²	115.2	63%	0.626	61%	0.614	S	S	*	*	H	α-helix	trans	-66.3	-40.3	174.6	-73.1	170.9	-177.6	178.6	0	112.3	S46 R47 S48 A54	S46-K50 WeakPolarHBondContact O-CB 3.31Å; S46-K50 VanDerWaalsContact O-CG 3.28Å; S46-K50 WeakPolarHBondContact O-CG 3.32Å; S46-K50 PolarHBondContact O-N 3.31Å; S46-K50 VanDerWaalsContact O-N 3.11Å; R47-K50 PolarHBondContact O-N 3.05Å; S48-K50 PolarHBondContact O-N 3.48Å; K50-A54 WeakPolarHBondContact O-CB 3.45Å; K50-A54 PolarHBondContact O-N 2.74Å
51	I	40.1	Very low	35.9	Very low	89 Å²	89	114 Å²	114	46%	0.456	61%	0.61	S	S	.	*	H	α-helix	trans	-67.6	-37.5	174.7	-67.8	165.2	0	0	0	111.2	R47 S48 K55	R47-I51 HydrophobicContact CG-CD1 4.11Å; R47-I51 VanDerWaalsContact O-CG1 3.31Å; R47-I51 WeakPolarHBondContact O-CG1 3.32Å; R47-I51 PolarHBondContact O-N 3.21Å; S48-I51 PolarHBondContact O-N 2.88Å; I51-K55 HydrophobicContact CG2-CD 4.37Å; I51-K55 WeakPolarHBondContact O-CB 3.47Å; I51-K55 WeakPolarHBondContact O-CG 3.44Å; I51-K55 PolarHBondContact O-N 2.89Å
52	A	35.9	Very low	35.8	Very low	51 Å²	51	109.8 Å²	109.8	42%	0.421	59%	0.591	S	S	.	*	H	α-helix	trans	-63.5	-48.3	175.7	0	0	0	0	0	111.8	S48 Q49 K55 W56	S48-A52 WeakPolarHBondContact O-CB 3.49Å; S48-A52 PolarHBondContact O-N 3.14Å; Q49-A52 PolarHBondContact O-N 3.32Å; A52-K55 PolarHBondContact O-N 3.39Å; A52-W56 WeakPolarHBondContact O-CB 3.22Å; A52-W56 PolarHBondContact O-N 3Å
53	R	35.8	Very low	35.9	Very low	190 Å²	190	112.8 Å²	112.8	72%	0.717	60%	0.597	S	S	*	*	H	α-helix	trans	-60.7	-50.7	174.6	-79	-174.3	172.4	166.4	-1.6	112.3	Q49 K55 W56 D57	Q49-R53 PolarHBondContact O-N 2.93Å; R53-K55 PolarHBondContact O-N 2.95Å; R53-K55 VanDerWaalsContact O-N 3.13Å; R53-W56 CarbonylContact O-C 3.55Å; R53-W56 WeakPolarHBondContact O-CA 3.43Å; R53-W56 WeakPolarHBondContact O-CB 3.49Å; R53-W56 PolarHBondContact O-N 2.93Å; R53-D57 VanDerWaalsContact O-CG 3.23Å; R53-D57 PolarHBondContact O-N 3.48Å; R53-D57 VanDerWaalsContact O-OD2 3.08Å
54	A	37.7	Very low	35.7	Very low	62 Å²	62	114 Å²	114	51%	0.512	60%	0.6	S	S	.	*	H	α-helix	trans	-58.1	-31.8	178.9	0	0	0	0	0	113.5	K50 F58	K50-A54 WeakPolarHBondContact O-CB 3.45Å; K50-A54 PolarHBondContact O-N 2.74Å; A54-F58 WeakPolarHBondContact O-CB 3.46Å; A54-F58 PolarHBondContact O-N 3.39Å
55	K	34.9	Very low	35.2	Very low	137 Å²	137	117.1 Å²	117.1	60%	0.596	61%	0.612	S	S	*	*	H	α-helix	trans	-73.8	-37.5	170.9	-75.7	-177.5	174.2	-168.9	0	112.9	I51 A52 R53 L59	I51-K55 HydrophobicContact CG2-CD 4.37Å; I51-K55 WeakPolarHBondContact O-CB 3.47Å; I51-K55 WeakPolarHBondContact O-CG 3.44Å; I51-K55 PolarHBondContact O-N 2.89Å; A52-K55 PolarHBondContact O-N 3.39Å; R53-K55 PolarHBondContact O-N 2.95Å; R53-K55 VanDerWaalsContact O-N 3.13Å; K55-L59 VanDerWaalsContact O-CB 3.32Å; K55-L59 WeakPolarHBondContact O-CB 3.44Å; K55-L59 WeakPolarHBondContact O-CD1 3.35Å; K55-L59 WeakPolarHBondContact O-CG 3.32Å; K55-L59 PolarHBondContact O-N 3.36Å
56	W	37.3	Very low	34.7	Very low	177 Å²	177	119.5 Å²	119.5	67%	0.67	63%	0.625	S	S	*	*	H	α-helix	trans	-65.3	-49.1	177.7	-150.4	-51.4	0	0	0	111.4	A52 R53 F58 L59 F60	A52-W56 WeakPolarHBondContact O-CB 3.22Å; A52-W56 PolarHBondContact O-N 3Å; R53-W56 CarbonylContact O-C 3.55Å; R53-W56 WeakPolarHBondContact O-CA 3.43Å; R53-W56 WeakPolarHBondContact O-CB 3.49Å; R53-W56 PolarHBondContact O-N 2.93Å; W56-F58 VanDerWaalsContact C-N 3.28Å; W56-F58 PolarHBondContact O-N 3.49Å; W56-L59 PolarHBondContact O-N 2.88Å; W56-F60 AromaticContact CD1-CD2 3.67Å; W56-F60 HydrophobicContact CG-CD2 4.48Å; W56-F60 AromaticContact NE1-CD2 3.92Å; W56-F60 PolarHBondContact O-N 3.47Å
57	D	38	Very low	34.3	Very low	92 Å²	92	119.8 Å²	119.8	49%	0.492	64%	0.639	S	S	.	*	H	α-helix	trans	-63.4	-34.8	-179.9	-56.5	-37.1	0	0	0	111.4	R53 G61 G62	R53-D57 VanDerWaalsContact O-CG 3.23Å; R53-D57 PolarHBondContact O-N 3.48Å; R53-D57 VanDerWaalsContact O-OD2 3.08Å; D57-G61 WeakPolarHBondContact O-CA 3.38Å; D57-G61 PolarHBondContact O-N 2.95Å; D57-G61 VanDerWaalsContact O-N 3.08Å; D57-G62 PolarHBondContact O-N 3.32Å
58	F	36.1	Very low	33.8	Very low	178 Å²	178	122.4 Å²	122.4	78%	0.781	65%	0.649	S	S	*	*	H	α-helix	trans	-74.8	-33.7	175.9	179.6	-96.7	0	0	0	113.8	A54 W56	A54-F58 WeakPolarHBondContact O-CB 3.46Å; A54-F58 PolarHBondContact O-N 3.39Å; W56-F58 VanDerWaalsContact C-N 3.28Å; W56-F58 PolarHBondContact O-N 3.49Å
59	L	31.7	Very low	33.6	Very low	119 Å²	119	131.1 Å²	131.1	62%	0.623	67%	0.672	S	S	*	*	H	α-helix	trans	-84	-26.2	-178.4	-74.4	169.9	0	0	0	113.7	K55 W56	K55-L59 VanDerWaalsContact O-CB 3.32Å; K55-L59 WeakPolarHBondContact O-CB 3.44Å; K55-L59 WeakPolarHBondContact O-CD1 3.35Å; K55-L59 WeakPolarHBondContact O-CG 3.32Å; K55-L59 PolarHBondContact O-N 3.36Å; W56-L59 PolarHBondContact O-N 2.88Å
60	F	37.5	Very low	33.1	Very low	149 Å²	149	131.2 Å²	131.2	65%	0.654	68%	0.684	S	S	*	*	H	α-helix	trans	-127	-4.6	-171.2	-61.8	-73	0	0	0	115.3	W56	W56-F60 AromaticContact CD1-CD2 3.67Å; W56-F60 HydrophobicContact CG-CD2 4.48Å; W56-F60 AromaticContact NE1-CD2 3.92Å; W56-F60 PolarHBondContact O-N 3.47Å
61	G	29.6	Very low	32.6	Very low	62 Å²	62	134.6 Å²	134.6	64%	0.639	69%	0.693	S	S	*	*	T	Hydrogen-bonded Turn	trans	81.7	104.8	175.9	0	0	0	0	0	113.3	D57	D57-G61 WeakPolarHBondContact O-CA 3.38Å; D57-G61 PolarHBondContact O-N 2.95Å; D57-G61 VanDerWaalsContact O-N 3.08Å
62	G	30.4	Very low	31.9	Very low	44 Å²	44	136.7 Å²	136.7	45%	0.454	71%	0.705	S	S	.	*			trans	-68.7	131.7	173.6	0	0	0	0	0	112.6	D57 T64	D57-G62 PolarHBondContact O-N 3.32Å; G62-T64 PolarHBondContact O-N 3.39Å
63	L	31.7	Very low	31.5	Very low	180 Å²	180	140.3 Å²	140.3	94%	0.942	72%	0.722	S	S	*	*			trans	-74.2	104.3	174.7	-150.5	83.7	0	0	0	109.9
64	T	30.7	Very low	31.1	Very low	131 Å²	131	136 Å²	136	80%	0.804	72%	0.721	S	S	*	*			trans	-107.6	91.9	-179.9	59.6	0	0	0	0	112.1	G62	G62-T64 PolarHBondContact O-N 3.39Å
65	D	28	Very low	30.6	Very low	151 Å²	151	138.6 Å²	138.6	81%	0.807	74%	0.735	S	S	*	*			trans	-77.6	136.3	167	-162.3	38.5	0	0	0	109.9
66	P	31.9	Very low	30.3	Very low	121 Å²	121	138.7 Å²	138.7	79%	0.786	75%	0.747	S	S	*	*			trans	-93.5	122.9	-163.4	33.6	-32.5	0	0	0	114.4
67	G	26.9	Very low	29.9	Very low	73 Å²	73	136.2 Å²	136.2	75%	0.753	75%	0.751	S	S	*	*			trans	121.2	111.2	137.4	0	0	0	0	0	118.5
68	R	25.7	Very low	30.7	Very low	247 Å²	247	137.3 Å²	137.3	93%	0.932	76%	0.764	S	S	*	*			trans	-153.4	126.5	132.9	-121.4	175.3	-174.7	-97.1	1	112
69	R	29.1	Very low	31.5	Very low	249 Å²	249	133.5 Å²	133.5	94%	0.94	76%	0.757	S	S	*	*			trans	-114.1	141.8	160.7	-81.6	-174.5	173.1	-173.5	-0.3	108.3
70	S	28	Very low	31.4	Very low	109 Å²	109	134.3 Å²	134.3	76%	0.762	77%	0.767	S	S	*	*			trans	157.9	134.5	156.6	179.2	0	0	0	0	108.4
71	R	27.8	Very low	31	Very low	216 Å²	216	132.8 Å²	132.8	82%	0.815	78%	0.775	S	S	*	*			cis	-166.6	-170.1	-18.3	-157.9	179.6	-168.8	161.3	2.8	106.9
72	D	25.3	Very low	30.8	Very low	133 Å²	133	133.6 Å²	133.6	71%	0.711	78%	0.783	S	S	*	*			trans	83.7	142.2	155	-53.1	-23.7	0	0	0	118.8
73	V	27.7	Very low	30.8	Very low	126 Å²	126	136.9 Å²	136.9	76%	0.764	80%	0.799	S	S	*	*			cis	-158.5	155	-31.4	104.1	0	0	0	0	112.3
74	S	27.8	Very low	31.5	Very low	100 Å²	100	134.2 Å²	134.2	70%	0.699	79%	0.793	S	S	*	*			trans	10	133.3	162.9	-50.3	0	0	0	0	125.1
75	S	27.1	Very low	31.5	Very low	116 Å²	116	132.8 Å²	132.8	81%	0.811	79%	0.788	S	S	*	*				-167.7	118.5	127.6	16.1	0	0	0	0	109.1
76	V	28.4	Very low	32.3	Very low	140 Å²	140	131.4 Å²	131.4	85%	0.848	79%	0.787	S	S	*	*				88.3	134.6	72.4	169.8	0	0	0	0	113.8
77	T	29.4	Very low	32.3	Very low	124 Å²	124	131.9 Å²	131.9	76%	0.761	79%	0.788	S	S	*	*			trans	-149.7	-176.5	-171.9	60.5	0	0	0	0	109.7
78	P	53.7	Low	33.6	Very low	116 Å²	116	133.6 Å²	133.6	75%	0.753	79%	0.786	S	S	*	*			cis	-114	-94.2	-14.7	16.6	8.9	0	0	0	112.5
79	P	52.7	Low	34.5	Very low	98 Å²	98	127.9 Å²	127.9	64%	0.636	78%	0.781	S	S	*	*				-127.7	174.4	-60.1	41.1	-26.2	0	0	0	116.3
80	T	29.1	Very low	34.4	Very low	136 Å²	136	121.1 Å²	121.1	83%	0.834	77%	0.772	S	S	*	*			trans	70.3	138	153.6	-52.3	0	0	0	0	117.9
81	S	29.4	Very low	34.5	Very low	117 Å²	117	121.2 Å²	121.2	82%	0.818	77%	0.772	S	S	*	*			cis	-152.5	174.8	-11.2	50.1	0	0	0	0	107.7
82	G	26.6	Very low	34.4	Very low	79 Å²	79	118.5 Å²	118.5	81%	0.814	77%	0.773	S	S	*	*			cis	-170.5	-166.2	5.9	0	0	0	0	0	110.9
83	S	29.2	Very low	34.5	Very low	112 Å²	112	120.2 Å²	120.2	78%	0.783	78%	0.776	S	S	*	*			trans	-120.1	162.5	-176.8	-161.1	0	0	0	0	111.6
84	P	46.6	Very low	34.4	Very low	125 Å²	125	121.6 Å²	121.6	81%	0.812	78%	0.779	S	S	*	*				-141.2	170.9	88.5	37.4	-21.8	0	0	0	115.5
85	S	30.7	Very low	34.4	Very low	101 Å²	101	125 Å²	125	71%	0.706	78%	0.783	S	S	*	*			trans	-99.6	172.6	166.9	65.9	0	0	0	0	111.3
86	P	46	Very low	35	Very low	122 Å²	122	124.1 Å²	124.1	79%	0.792	78%	0.775	S	S	*	*				-149	177.9	95.8	39	-21.6	0	0	0	116.5
87	T	30.3	Very low	34.9	Very low	130 Å²	130	122.9 Å²	122.9	80%	0.798	77%	0.768	S	S	*	*			trans	-146	177.4	170.7	41.5	0	0	0	0	108
88	P	54.4	Low	34.9	Very low	110 Å²	110	121.5 Å²	121.5	71%	0.714	76%	0.764	S	S	*	*			cis	-117.8	-143.3	-8.4	32.5	-8.9	0	0	0	110.4
89	P	44.9	Very low	33.8	Very low	127 Å²	127	123.4 Å²	123.4	83%	0.825	76%	0.762	S	S	*	*				-139.9	-159.6	60.1	40	-19.1	0	0	0	114.5
90	S	28.3	Very low	32.5	Very low	107 Å²	107	126.8 Å²	126.8	75%	0.748	76%	0.762	S	S	*	*			trans	-122.6	176.8	-164.7	-51.9	0	0	0	0	114.9
91	S	28.3	Very low	32.5	Very low	110 Å²	110	130.2 Å²	130.2	77%	0.769	76%	0.76	S	S	*	*			trans	102.7	113.6	146.6	75.1	0	0	0	0	122
92	L	27.4	Very low	32.4	Very low	160 Å²	160	128.1 Å²	128.1	84%	0.838	76%	0.757	S	S	*	*				41.8	132.4	126	-59.7	173.3	0	0	0	123.9
93	H	25.9	Very low	32.5	Very low	168 Å²	168	134.9 Å²	134.9	78%	0.778	76%	0.758	S	S	*	*				102.4	146	128	-118.8	41.8	0	0	0	122.8
94	L	26.6	Very low	32.5	Very low	155 Å²	155	135 Å²	135	81%	0.812	75%	0.75	S	S	*	*			trans	84.2	137.2	157.1	-65.5	171.1	0	0	0	122.9
95	Q	27	Very low	31.7	Very low	171 Å²	171	136.9 Å²	136.9	80%	0.799	75%	0.748	S	S	*	*			trans	-93.1	-175	162.2	-124.5	-155.1	51	0	0	108.7
96	P	40.8	Very low	31.5	Very low	98 Å²	98	139.6 Å²	139.6	64%	0.636	75%	0.749	S	S	*	*			cis	-146.5	-158.7	31.7	33	-5.5	0	0	0	116.4
97	T	26.7	Very low	30.7	Very low	115 Å²	115	140.9 Å²	140.9	71%	0.706	75%	0.75	S	S	*	*			trans	100.7	79.9	157.7	65.9	0	0	0	0	121.3
98	S	28	Very low	30.7	Very low	95 Å²	95	141.7 Å²	141.7	66%	0.664	74%	0.744	S	S	*	*				50.3	136.7	113.4	68.8	0	0	0	0	124.3
99	Q	30.4	Very low	29.5	Very low	155 Å²	155	144 Å²	144	72%	0.724	74%	0.743	S	S	*	*			trans	73.9	146.4	138.5	-83.6	-168.2	69.8	0	0	119.1
100	R	26.7	Very low	28.9	Very low	170 Å²	170	144.7 Å²	144.7	64%	0.642	74%	0.739	S	S	*	*			cis	-168.7	153.7	-11.6	-148.6	-173.1	-165.8	157.4	-7	112.1
101	R	28	Very low	29	Very low	208 Å²	208	144.5 Å²	144.5	79%	0.785	74%	0.738	S	S	*	*			trans	71.7	139.7	141.9	-130.2	-159.8	-64.6	-99.9	-157.2	121.3
102	G	26.7	Very low	29.1	Very low	73 Å²	73	145.5 Å²	145.5	75%	0.753	73%	0.73	S	S	*	*			trans	127.3	145.2	150.7	0	0	0	0	0	116.8
103	R	28.8	Very low	29	Very low	220 Å²	220	145.7 Å²	145.7	83%	0.83	73%	0.726	S	S	*	*				-166	120.3	-76.4	177.5	178.6	-176.6	-168.3	-2.7	111.4
104	D	29.1	Very low	29.1	Very low	114 Å²	114	143.9 Å²	143.9	61%	0.61	72%	0.718	S	S	*	*			trans	57.1	156.1	153.8	-48.8	-11.3	0	0	0	123.4
105	Q	30.8	Very low	29.2	Very low	166 Å²	166	142.3 Å²	142.3	78%	0.776	71%	0.714	S	S	*	*			trans	84.3	141.5	162.7	-58.4	-170.5	90.4	0	0	117.9
106	Q	26.5	Very low	29.2	Very low	157 Å²	157	141.6 Å²	141.6	73%	0.734	71%	0.711	S	S	*	*			cis	-153.3	127.8	-2.3	-111.7	168.6	22.5	0	0	107.5
107	N	28.6	Very low	28.5	Very low	150 Å²	150	144.7 Å²	144.7	80%	0.802	72%	0.717	S	S	*	*				87.8	149.8	74.6	-161	16.8	0	0	0	116.2
108	Q	30.6	Very low	28.5	Very low	146 Å²	146	145.9 Å²	145.9	68%	0.682	72%	0.724	S	S	*	*			trans	88.1	140.1	-178.6	-60.9	-172	72.1	0	0	116.6
109	K	30.1	Very low	28.4	Very low	160 Å²	160	150 Å²	150	70%	0.696	73%	0.732	S	S	*	*			cis	-160.1	135.9	6.2	-134	173.3	-180	155.7	0	116.4
110	L	31.7	Very low	28.4	Very low	141 Å²	141	148.7 Å²	148.7	74%	0.738	74%	0.735	S	S	*	*			trans	45.3	156.4	142.2	-67.2	173.8	0	0	0	123.5
111	S	30.2	Very low	28.3	Very low	103 Å²	103	148.3 Å²	148.3	72%	0.72	74%	0.741	S	S	*	*			cis	-122.7	-177.6	5.1	77.5	0	0	0	0	112.2
112	H	29.8	Very low	28.4	Very low	131 Å²	131	146.6 Å²	146.6	61%	0.606	75%	0.746	S	S	*	*			cis	77.9	97.7	19.9	-95.3	-94.6	0	0	0	118.6	E114	H112-E114 IonicContact ND1-OE2 2.66Å
113	H	27.1	Very low	28.5	Very low	164 Å²	164	148 Å²	148	76%	0.759	74%	0.74	S	S	*	*				-160.7	148.7	96.2	-84.9	-54.3	0	0	0	108.9
114	E	27.8	Very low	28.6	Very low	130 Å²	130	143.8 Å²	143.8	61%	0.607	74%	0.739	S	S	*	*			cis	81.7	143.2	32.5	-141.7	177.5	-179.1	0	0	111.4	H112	H112-E114 IonicContact ND1-OE2 2.66Å
115	V	28.4	Very low	28.8	Very low	121 Å²	121	144.3 Å²	144.3	73%	0.733	75%	0.748	S	S	*	*			cis	-152.3	158.6	31.8	172.3	0	0	0	0	107
116	Q	27.5	Very low	28.8	Very low	157 Å²	157	143.7 Å²	143.7	73%	0.734	75%	0.75	S	S	*	*			cis	-170.2	-174.1	-29.3	-172.5	166.3	2.8	0	0	107.1
117	Q	26.1	Very low	29.6	Very low	162 Å²	162	140.7 Å²	140.7	76%	0.757	75%	0.745	S	S	*	*			trans	-74.8	162.9	179.7	-56.1	132.1	-71	0	0	114.9
118	V	25.3	Very low	29.6	Very low	140 Å²	140	145.7 Å²	145.7	85%	0.848	75%	0.752	S	S	*	*			trans	-130.2	134.6	144.3	178.8	0	0	0	0	108.6	V120	V118-V120 HydrophobicContact CG1-CG2 4.18Å
119	E	27.1	Very low	29.6	Very low	181 Å²	181	142.3 Å²	142.3	85%	0.846	76%	0.756	S	S	*	*			trans	-109.1	135.3	177	172.9	176.7	-151.1	0	0	108.7
120	V	28.5	Very low	29.9	Very low	128 Å²	128	141.1 Å²	141.1	78%	0.776	77%	0.765	S	S	*	*			trans	-137.5	101.5	172	-175.4	0	0	0	0	110.9	V118	V118-V120 HydrophobicContact CG1-CG2 4.18Å
121	E	26.1	Very low	29.9	Very low	163 Å²	163	138.6 Å²	138.6	76%	0.762	77%	0.765	S	S	*	*			trans	-36.8	141.5	157.7	179.8	179.6	-143.1	0	0	114.5	V123	E121-V123 HydrophobicContact CG-CG2 4.14Å
122	L	29.4	Very low	30.2	Very low	171 Å²	171	139.5 Å²	139.5	90%	0.895	77%	0.768	S	S	*	*			trans	-111.6	92.8	178.4	-119.2	169.1	0	0	0	111.5
123	V	29.5	Very low	30.2	Very low	104 Å²	104	143.2 Å²	143.2	63%	0.63	78%	0.782	S	S	*	*	P	Polyproline II helix	trans	-76.4	137.2	177.4	177.8	0	0	0	0	111.5	E121	E121-V123 HydrophobicContact CG-CG2 4.14Å
124	T	31.3	Very low	30.4	Very low	131 Å²	131	142 Å²	142	80%	0.804	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-100.8	132.5	169	27.2	0	0	0	0	112.7
125	P	33.1	Very low	30.5	Very low	125 Å²	125	139.6 Å²	139.6	81%	0.812	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-90	165.6	163.9	35.1	-32.3	0	0	0	112.7
126	D	29.4	Very low	30.5	Very low	153 Å²	153	141.6 Å²	141.6	82%	0.818	80%	0.802	S	S	*	*			trans	-104	-153.5	-162.1	-156.8	22.7	0	0	0	113.2
127	P	45	Very low	30.6	Very low	94 Å²	94	140.6 Å²	140.6	61%	0.61	80%	0.8	S	S	*	*				-127.1	178.4	-120.5	41.8	-23	0	0	0	116.2
128	R	28.1	Very low	30.7	Very low	254 Å²	254	143.3 Å²	143.3	96%	0.958	80%	0.804	S	S	*	*			trans	-179.8	113.5	156.5	-104.9	174.2	-83.2	-170.2	-3.9	106.6
129	G	30.1	Very low	30.7	Very low	75 Å²	75	148.3 Å²	148.3	77%	0.773	81%	0.807	S	S	*	*			cis	138.2	157.3	11	0	0	0	0	0	108.1
130	P	36.7	Very low	30.9	Very low	135 Å²	135	144.5 Å²	144.5	88%	0.877	80%	0.801	S	S	*	*			cis	-111.3	179.2	-2.2	41.3	-30.5	0	0	0	113.8
131	A	31.7	Very low	30.8	Very low	89 Å²	89	146.6 Å²	146.6	74%	0.736	81%	0.806	S	S	*	*			trans	-100.8	-178.2	173.3	0	0	0	0	0	111
132	P	37.2	Very low	30.9	Very low	122 Å²	122	146.3 Å²	146.3	79%	0.792	80%	0.802	S	S	*	*			cis	-128.6	164.3	47.8	37	-21	0	0	0	116.1
133	K	29.1	Very low	30.7	Very low	208 Å²	208	147.7 Å²	147.7	90%	0.904	80%	0.797	S	S	*	*			trans	-119.9	146	163.5	-74.9	-178.8	177.1	176.4	0	109.6
134	T	31.6	Very low	30.8	Very low	138 Å²	138	147 Å²	147	85%	0.847	80%	0.796	S	S	*	*			trans	-118.7	142.1	177.6	49.1	0	0	0	0	112.3
135	G	29.2	Very low	30.6	Very low	80 Å²	80	149 Å²	149	83%	0.825	80%	0.797	S	S	*	*			trans	58.6	103.7	142.8	0	0	0	0	0	119.1
136	I	28.2	Very low	30.6	Very low	164 Å²	164	148.2 Å²	148.2	84%	0.841	79%	0.79	S	S	*	*			trans	-86.3	145.4	156.1	-48.3	174.5	0	0	0	108
137	I	29.8	Very low	30.5	Very low	135 Å²	135	147.1 Å²	147.1	69%	0.692	78%	0.784	S	S	*	*				160.7	117	129.9	-83.3	166.7	0	0	0	113.2
138	R	28.3	Very low	29.7	Very low	220 Å²	220	149.2 Å²	149.2	83%	0.83	79%	0.789	S	S	*	*			trans	53.2	122.6	154	-63.4	167.9	-178.9	158	-4.3	120
139	R	26.1	Very low	29.8	Very low	244 Å²	244	144.2 Å²	144.2	92%	0.921	78%	0.781	S	S	*	*				-169.4	174.2	96.6	-99.4	168.4	-175	151.4	1.8	112.3
140	S	30.2	Very low	29.8	Very low	102 Å²	102	145.4 Å²	145.4	71%	0.713	78%	0.784	S	S	*	*			trans	-82.3	160.4	-171.5	51.9	0	0	0	0	115.6
141	I	26.8	Very low	29.8	Very low	172 Å²	172	145 Å²	145	88%	0.882	78%	0.779	S	S	*	*				-171.9	172.1	128.8	-97.2	154	0	0	0	110.6
142	K	27.9	Very low	30	Very low	157 Å²	157	146.6 Å²	146.6	68%	0.683	78%	0.781	S	S	*	*			trans	-107.6	174.1	-171	-68.7	179.4	174.7	-179.6	0	113.6
143	Y	26.2	Very low	29.6	Very low	200 Å²	200	146.7 Å²	146.7	78%	0.784	78%	0.775	S	S	*	*			trans	78	148.5	164.6	-57	-73.8	0	0	0	115.2
144	S	31	Very low	29.7	Very low	89 Å²	89	147 Å²	147	62%	0.622	77%	0.77	S	S	*	*			cis	-165.5	154	-7.5	37.2	0	0	0	0	110.9
145	E	27.5	Very low	29.8	Very low	174 Å²	174	145.3 Å²	145.3	81%	0.813	76%	0.763	S	S	*	*			trans	62.4	162.5	164.4	-69.7	171.5	130.4	0	0	115.5
146	T	31.6	Very low	29.7	Very low	108 Å²	108	151.6 Å²	151.6	66%	0.663	76%	0.763	S	S	*	*			cis	-150.7	173.4	0.7	-9.7	0	0	0	0	110.6
147	D	28.9	Very low	29.7	Very low	130 Å²	130	153.7 Å²	153.7	70%	0.695	76%	0.76	S	S	*	*			trans	66.1	127.8	144.2	-67	-14.8	0	0	0	125.8
148	L	27.7	Very low	29.8	Very low	138 Å²	138	154.5 Å²	154.5	72%	0.723	76%	0.761	S	S	*	*				54.7	125.2	124.3	-57.3	169.4	0	0	0	123.5
149	D	29	Very low	30	Very low	148 Å²	148	149.9 Å²	149.9	79%	0.791	76%	0.758	S	S	*	*			trans	53.3	108.5	132.5	-59.7	-13.5	0	0	0	122.7
150	A	30.6	Very low	30.6	Very low	100 Å²	100	143.9 Å²	143.9	83%	0.826	74%	0.744	S	S	*	*				-158.8	135.5	123.3	0	0	0	0	0	111.7
151	V	36.6	Very low	31.1	Very low	127 Å²	127	145 Å²	145	77%	0.77	74%	0.742	S	S	*	*			trans	-141.2	127.3	174.1	177.5	0	0	0	0	111
152	P	36.2	Very low	31.9	Very low	122 Å²	122	141.3 Å²	141.3	79%	0.792	72%	0.723	S	S	*	*			trans	-128.3	123	130.7	6.1	15.6	0	0	0	110.2
153	L	29.3	Very low	32.8	Very low	124 Å²	124	140.4 Å²	140.4	65%	0.649	72%	0.722	S	S	*	*				73.1	90.2	74.4	-73.8	171	0	0	0	116.4
154	R	31.9	Very low	33.7	Very low	215 Å²	215	135 Å²	135	81%	0.811	71%	0.71	S	S	*	*			trans	71.2	158.1	136.8	-55.4	-178.4	-177.8	-176.7	1.9	117.1
155	C	32.2	Very low	34.2	Very low	103 Å²	103	136.9 Å²	136.9	70%	0.696	71%	0.71	S	S	*	*			cis	-136.9	153.4	20.3	-89.3	0	0	0	0	113.5
156	Y	28.6	Very low	35.1	Very low	212 Å²	212	134.6 Å²	134.6	83%	0.831	69%	0.694	S	S	*	*			trans	26	136.5	141.4	-67.2	-82.2	0	0	0	120.3
157	R	27.1	Very low	35.7	Very low	207 Å²	207	132.6 Å²	132.6	78%	0.781	69%	0.688	S	S	*	*			cis	-140.9	-170	25.8	-52.2	-174.1	-175.6	-172	1.5	110.4
158	E	31.4	Very low	36.4	Very low	152 Å²	152	133.2 Å²	133.2	71%	0.71	69%	0.687	S	S	*	*			cis	-149.7	166.1	3.1	-146.2	140.9	-142	0	0	108.2
159	T	33.6	Very low	37.1	Very low	124 Å²	124	129.4 Å²	129.4	76%	0.761	68%	0.676	S	S	*	*			trans	-86.6	116.2	-180	47.9	0	0	0	0	111.8
160	D	38	Very low	37.8	Very low	117 Å²	117	130 Å²	130	63%	0.626	67%	0.673	S	S	*	*			trans	-77.6	130.6	161.9	-165.8	-16.6	0	0	0	109.5	D162	D160-D162 PolarHBondContact OD1-N 2.84Å
161	L	40.6	Very low	38.5	Very low	127 Å²	127	129 Å²	129	67%	0.665	67%	0.666	S	S	*	*	S	Bend	trans	-94.9	-16.7	-176.9	-77.9	162.7	0	0	0	112.5	E163 V164	L161-E163 VanDerWaalsContact C-N 3.3Å; L161-E163 PolarHBondContact O-N 3.45Å; L161-V164 PolarHBondContact O-N 3.09Å
162	D	43.4	Very low	38.6	Very low	93 Å²	93	126.4 Å²	126.4	50%	0.497	66%	0.658	S	S	.	*	H	α-helix	trans	-76.5	-16.6	-173.5	-75.2	-10.7	0	0	0	113.1	D160 R166	D160-D162 PolarHBondContact OD1-N 2.84Å; D162-R166 PolarHBondContact O-N 2.78Å; D162-R166 PolarHBondContact O-NH2 2.9Å; D162-R166 VanDerWaalsContact O-NH2 3.16Å
163	E	46.5	Very low	38.7	Very low	138 Å²	138	129.3 Å²	129.3	65%	0.645	66%	0.66	S	S	*	*	H	α-helix	trans	-76.7	-32	176.2	-168.1	159.9	-105.3	0	0	112.7	L161 A167	L161-E163 VanDerWaalsContact C-N 3.3Å; L161-E163 PolarHBondContact O-N 3.45Å; E163-A167 PolarHBondContact O-N 2.71Å
164	V	45.4	Very low	39.1	Very low	88 Å²	88	132.3 Å²	132.3	53%	0.533	67%	0.671	S	S	.	*	H	α-helix	trans	-71.9	-44.1	176.6	-179.6	0	0	0	0	110.9	L161 R166 A167 E168	L161-V164 PolarHBondContact O-N 3.09Å; V164-R166 PolarHBondContact O-N 3.36Å; V164-A167 PolarHBondContact O-N 3.26Å; V164-E168 PolarHBondContact O-N 3.19Å; V164-E168 VanDerWaalsContact O-N 3.1Å
165	M	42.4	Very low	39.4	Very low	128 Å²	128	126.1 Å²	126.1	63%	0.631	67%	0.666	S	S	*	*	H	α-helix	trans	-65.7	-26.9	177.5	-65	-153.5	-58.5	0	0	112.7	A169	M165-A169 WeakPolarHBondContact O-CB 3.04Å; M165-A169 PolarHBondContact O-N 2.93Å; M165-A169 VanDerWaalsContact O-N 3.08Å
166	R	45.4	Very low	39.1	Very low	125 Å²	125	128.3 Å²	128.3	47%	0.472	67%	0.671	S	S	.	*	H	α-helix	trans	-68	-44.2	173.7	-141.5	173.6	-58.5	119.9	4.6	111.7	D162 V164 E168 A169 E170	D162-R166 PolarHBondContact O-N 2.78Å; D162-R166 PolarHBondContact O-NH2 2.9Å; D162-R166 VanDerWaalsContact O-NH2 3.16Å; V164-R166 PolarHBondContact O-N 3.36Å; R166-E168 PolarHBondContact O-N 3Å; R166-A169 PolarHBondContact O-N 2.8Å; R166-E170 PolarHBondContact O-N 3.42Å
167	A	45.3	Very low	39.1	Very low	66 Å²	66	125.8 Å²	125.8	55%	0.545	67%	0.671	S	S	.	*	H	α-helix	trans	-68	-31.1	178	0	0	0	0	0	113.5	E163 V164	E163-A167 PolarHBondContact O-N 2.71Å; V164-A167 PolarHBondContact O-N 3.26Å
168	E	43.3	Very low	39.1	Very low	143 Å²	143	119.3 Å²	119.3	67%	0.668	67%	0.668	S	S	*	*	H	α-helix	trans	-79.9	-25.7	173.6	-68	-167.5	140.9	0	0	113.1	V164 R166	V164-E168 PolarHBondContact O-N 3.19Å; V164-E168 VanDerWaalsContact O-N 3.1Å; R166-E168 PolarHBondContact O-N 3Å
169	A	41.7	Very low	39	Very low	59 Å²	59	121.9 Å²	121.9	49%	0.488	68%	0.677	S	S	.	*	H	α-helix	trans	-71.3	-44.4	175.5	0	0	0	0	0	112.9	M165 R166 A171 A172	M165-A169 WeakPolarHBondContact O-CB 3.04Å; M165-A169 PolarHBondContact O-N 2.93Å; M165-A169 VanDerWaalsContact O-N 3.08Å; R166-A169 PolarHBondContact O-N 2.8Å; A169-A171 PolarHBondContact O-N 3.25Å; A169-A172 PolarHBondContact O-N 3.07Å; A169-A172 VanDerWaalsContact O-N 3.15Å
170	E	43.6	Very low	38.7	Very low	159 Å²	159	122.1 Å²	122.1	74%	0.743	68%	0.684	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67	-17.8	178.2	-69.3	-178.7	177.2	0	0	113	R166 A172	R166-E170 PolarHBondContact O-N 3.42Å; E170-A172 VanDerWaalsContact C-N 3.35Å
171	A	45.4	Very low	38.2	Very low	80 Å²	80	127.3 Å²	127.3	66%	0.661	70%	0.695	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.8	-3.4	175.5	0	0	0	0	0	114.4	A169	A169-A171 PolarHBondContact O-N 3.25Å
172	A	39.1	Very low	37.5	Very low	73 Å²	73	125.5 Å²	125.5	60%	0.603	69%	0.693	S	S	*	*	S	Bend	trans	-106.4	-13.8	-170.7	0	0	0	0	0	115.6	A169 E170	A169-A172 PolarHBondContact O-N 3.07Å; A169-A172 VanDerWaalsContact O-N 3.15Å; E170-A172 VanDerWaalsContact C-N 3.35Å
173	E	37.7	Very low	36.7	Very low	182 Å²	182	128.1 Å²	128.1	85%	0.85	71%	0.706	S	S	*	*	S	Bend	trans	-96.8	-6.4	-173.8	-84.7	-90.7	117.8	0	0	115.1
174	E	37.7	Very low	35.7	Very low	188 Å²	188	129.2 Å²	129.2	88%	0.879	72%	0.715	S	S	*	*	S	Bend	trans	-110.8	31.8	-179.2	-90.9	-78.1	162.4	0	0	112.7
175	A	38.8	Very low	34.6	Very low	84 Å²	84	128.7 Å²	128.7	69%	0.694	73%	0.727	S	S	*	*	S	Bend	trans	-149.5	28.9	-171.7	0	0	0	0	0	117.6
176	D	26	Very low	33.8	Very low	150 Å²	150	133.6 Å²	133.6	80%	0.802	74%	0.738	S	S	*	*	S	Bend	trans	-144.5	162.4	162.9	-152.6	-4.4	0	0	0	113.5
177	L	29.2	Very low	32.7	Very low	158 Å²	158	133.3 Å²	133.3	83%	0.827	76%	0.756	S	S	*	*			trans	67.6	64.8	176.2	-51.1	-172	0	0	0	116.9
178	G	27.6	Very low	31.7	Very low	71 Å²	71	135.4 Å²	135.4	73%	0.732	77%	0.765	S	S	*	*			trans	-82.4	165.2	170	0	0	0	0	0	116.1
179	F	28.9	Very low	30.7	Very low	206 Å²	206	138.7 Å²	138.7	90%	0.904	78%	0.778	S	S	*	*			trans	59.8	115.2	159.7	-90.6	-95	0	0	0	120.7
180	S	26.6	Very low	30.2	Very low	129 Å²	129	140.8 Å²	140.8	90%	0.902	79%	0.789	S	S	*	*			trans	-146.7	157.1	146.9	-83.1	0	0	0	0	110.1
181	R	27.1	Very low	29.9	Very low	227 Å²	227	139.6 Å²	139.6	86%	0.857	80%	0.795	S	S	*	*			trans	-127.1	120.7	-144.3	-166.8	-160	179	175.9	0.2	114.7
182	S	27.1	Very low	29	Very low	89 Å²	89	144.7 Å²	144.7	62%	0.622	81%	0.805	S	S	*	*			trans	54.3	141.7	149.5	66	0	0	0	0	121.8
183	I	25.9	Very low	28.3	Very low	148 Å²	148	149.3 Å²	149.3	76%	0.759	82%	0.82	S	S	*	*				171.9	138.6	115.4	-92.7	165.8	0	0	0	113.9
184	L	24.6	Very low	27.7	Very low	161 Å²	161	143.8 Å²	143.8	84%	0.843	81%	0.812	S	S	*	*			trans	52.3	124.7	159.9	-76.7	165.4	0	0	0	123
185	G	24.1	Very low	27.1	Very low	76 Å²	76	140 Å²	140	78%	0.784	81%	0.806	S	S	*	*			trans	-165	142.1	156.2	0	0	0	0	0	109.3
186	R	24	Very low	26.4	Very low	231 Å²	231	140.8 Å²	140.8	87%	0.872	81%	0.806	S	S	*	*			trans	-124.3	157.8	-167.8	-82.2	169.2	63.4	-167.4	0.5	114.2
187	S	22.4	Very low	26.3	Very low	119 Å²	119	145 Å²	145	83%	0.832	81%	0.811	S	S	*	*			trans	103.9	152	147.4	76.5	0	0	0	0	118.8
188	C	24.6	Very low	26	Very low	111 Å²	111	147.1 Å²	147.1	75%	0.75	81%	0.814	S	S	*	*			trans	-111.9	168.6	-170.6	-37.1	0	0	0	0	110.1
189	F	22.4	Very low	25.8	Very low	211 Å²	211	150.5 Å²	150.5	93%	0.925	82%	0.815	S	S	*	*				176.7	155.8	112.1	-101.7	-73	0	0	0	112
190	S	30.7	Very low	26.4	Very low	104 Å²	104	145.4 Å²	145.4	73%	0.727	80%	0.802	S	S	*	*			trans	-80.9	-179.1	171.3	-45.1	0	0	0	0	111.9
191	P	37.9	Very low	26.4	Very low	134 Å²	134	145.8 Å²	145.8	87%	0.87	80%	0.799	S	S	*	*				-141.2	-167.6	104.5	39.3	-25.5	0	0	0	114.4
192	E	26.2	Very low	26.3	Very low	187 Å²	187	138.3 Å²	138.3	87%	0.874	79%	0.793	S	S	*	*			trans	-115.5	178.9	-156.9	-57.2	174.4	105	0	0	115.5
193	D	25.4	Very low	26.3	Very low	170 Å²	170	145.8 Å²	145.8	91%	0.909	81%	0.808	S	S	*	*			trans	103.2	153.5	134.6	-151.8	9.4	0	0	0	119.3
194	G	24.5	Very low	26.3	Very low	66 Å²	66	148.5 Å²	148.5	68%	0.68	81%	0.808	S	S	*	*			trans	128.3	59.9	159.7	0	0	0	0	0	121.2
195	S	24.8	Very low	26.5	Very low	108 Å²	108	146.7 Å²	146.7	76%	0.755	80%	0.796	S	S	*	*			trans	32.9	116.3	139.7	-166.3	0	0	0	0	123.5
196	S	23.4	Very low	26.8	Very low	100 Å²	100	150.5 Å²	150.5	70%	0.699	79%	0.793	S	S	*	*			trans	41.9	140.8	134	76.8	0	0	0	0	124.8
197	R	24.1	Very low	27.1	Very low	238 Å²	238	146.9 Å²	146.9	90%	0.898	79%	0.791	S	S	*	*			trans	-168.5	116.4	135.1	-107.8	167.1	-158.3	-167.2	5.9	115.7
198	F	22.8	Very low	27.3	Very low	204 Å²	204	145 Å²	145	90%	0.895	79%	0.79	S	S	*	*			trans	32.3	115.4	141.7	-78.3	-90.2	0	0	0	123.6
199	D	23.5	Very low	27.3	Very low	142 Å²	142	148.6 Å²	148.6	76%	0.759	80%	0.796	S	S	*	*			trans	-62.9	173.5	139.6	-151.9	42.4	0	0	0	110
200	P	42.4	Very low	27.7	Very low	98 Å²	98	144.8 Å²	144.8	64%	0.636	79%	0.789	S	S	*	*			cis	-152.5	-172.3	29.8	42	-17.2	0	0	0	120.9
201	T	25.5	Very low	27.7	Very low	137 Å²	137	148.7 Å²	148.7	84%	0.84	80%	0.796	S	S	*	*			trans	99	125.9	163.6	70.5	0	0	0	0	117.6
202	G	26.3	Very low	27.3	Very low	70 Å²	70	151.4 Å²	151.4	72%	0.722	80%	0.797	S	S	*	*			cis	169.2	153.8	-12.2	0	0	0	0	0	115.3
203	R	26.7	Very low	27.3	Very low	246 Å²	246	145.8 Å²	145.8	93%	0.928	79%	0.79	S	S	*	*			trans	62	142.9	-177.9	-70.6	-175.6	168.3	-158	-4.1	114.3
204	R	26.7	Very low	27.6	Very low	206 Å²	206	145.8 Å²	145.8	78%	0.777	79%	0.79	S	S	*	*			cis	-161.8	126.3	38.5	-171.4	177.4	-175.8	-177.5	-1.7	114.4
205	E	28.8	Very low	27.9	Very low	123 Å²	123	151.8 Å²	151.8	58%	0.575	80%	0.8	S	S	*	*			trans	46.4	120.5	143.3	-55.1	-179.6	93	0	0	124
206	Q	29.9	Very low	28.1	Very low	155 Å²	155	154.2 Å²	154.2	72%	0.724	81%	0.805	S	S	*	*				88.9	131	128.3	-71.8	-179.6	59.4	0	0	122.3
207	N	29.1	Very low	28.5	Very low	156 Å²	156	158.6 Å²	158.6	83%	0.834	81%	0.814	S	S	*	*			trans	52.7	134.8	166.2	-65.9	-1.5	0	0	0	119.9
208	G	27.7	Very low	28.9	Very low	78 Å²	78	154 Å²	154	80%	0.804	80%	0.803	S	S	*	*			cis	134	66.1	-0.4	0	0	0	0	0	112.8
209	Q	25.2	Very low	29.2	Very low	187 Å²	187	153.4 Å²	153.4	87%	0.874	80%	0.803	S	S	*	*			trans	-124.8	125.4	173.6	-174.1	167.1	-11.8	0	0	108
210	V	31.1	Very low	29.8	Very low	131 Å²	131	155.9 Å²	155.9	79%	0.794	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-86.1	122.7	179.4	179.2	0	0	0	0	108.2	E212	V210-E212 HydrophobicContact CG1-CG 4.48Å
211	E	28.9	Very low	29.4	Very low	187 Å²	187	160.2 Å²	160.2	87%	0.874	82%	0.822	S	S	*	*	P	Polyproline II helix	trans	-91.2	123	158.3	-65.6	-163.4	140.1	0	0	108.2
212	E	31.1	Very low	29.5	Very low	190 Å²	190	156.3 Å²	156.3	89%	0.888	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-87	116.8	158.9	-71.8	-172.5	142.7	0	0	107.7	V210	V210-E212 HydrophobicContact CG1-CG 4.48Å
213	G	26.5	Very low	30.1	Very low	70 Å²	70	160.7 Å²	160.7	72%	0.722	82%	0.821	S	S	*	*	P	Polyproline II helix	trans	-92.7	122.2	170.9	0	0	0	0	0	110.6
214	D	29.8	Very low	30.1	Very low	170 Å²	170	152.1 Å²	152.1	91%	0.909	80%	0.802	S	S	*	*			trans	-89.8	111.4	164.6	-92.5	-29.3	0	0	0	108.9	D216	D214-D216 PolarHBondContact O-N 2.93Å
215	E	30.9	Very low	30.5	Very low	192 Å²	192	146.3 Å²	146.3	90%	0.897	79%	0.794	S	S	*	*			trans	-84.7	95.4	174.7	-64.5	-177.3	147.9	0	0	110.3	E217	E215-E217 PolarHBondContact O-N 2.78Å
216	D	29.6	Very low	31	Very low	158 Å²	158	146.4 Å²	146.4	85%	0.845	79%	0.789	S	S	*	*			trans	-86.2	93.8	177	-130.6	-5.1	0	0	0	109.2	D214 E218	D214-D216 PolarHBondContact O-N 2.93Å; D216-E218 PolarHBondContact O-N 3.49Å
217	E	32.3	Very low	31.4	Very low	192 Å²	192	140.5 Å²	140.5	90%	0.897	77%	0.767	S	S	*	*			trans	-60.4	123.5	179.1	-67.2	-175.7	130.7	0	0	112.3	E215	E215-E217 PolarHBondContact O-N 2.78Å
218	E	31.8	Very low	31.8	Very low	143 Å²	143	137 Å²	137	67%	0.668	75%	0.754	S	S	*	*			trans	-92.2	98.9	175.3	-68.2	-142.8	97.5	0	0	112.3	D216 R649	D216-E218 PolarHBondContact O-N 3.49Å; E218-R649 IonicContact OE1-CZ 3.49Å; E218-R649 IonicContact OE1-NH1 3.62Å; E218-R649 PolarHBondContact OE1-NH1 3.07Å; E218-R649 IonicContact OE1-NH2 3.88Å; E218-R649 PolarHBondContact OE1-NH2 3.16Å; E218-R649 IonicContact OE2-CZ 3.69Å; E218-R649 IonicContact OE2-NH1 3.53Å; E218-R649 PolarHBondContact OE2-NH1 2.91Å; E218-R649 IonicContact OE2-NH2 3.17Å
219	E	30.3	Very low	32.3	Very low	190 Å²	190	137.8 Å²	137.8	89%	0.888	74%	0.744	S	S	*	*			trans	-81.2	139.7	155.5	-79.7	-159.8	142.4	0	0	111.6	E221	E219-E221 PolarHBondContact O-N 3.46Å
220	E	34.9	Very low	33.5	Very low	194 Å²	194	134.6 Å²	134.6	91%	0.907	72%	0.723	S	S	*	*			trans	-81.4	93.1	-167.2	-172	-178.9	-161.5	0	0	113.2	G222	E220-G222 PolarHBondContact O-N 3.24Å
221	E	34.5	Very low	33.9	Very low	190 Å²	190	132.2 Å²	132.2	89%	0.888	70%	0.704	S	S	*	*			trans	-77.6	103.8	170	-167.3	176.9	-148.8	0	0	111	E219	E219-E221 PolarHBondContact O-N 3.46Å
222	G	27.4	Very low	34	Very low	55 Å²	55	130.8 Å²	130.8	57%	0.567	70%	0.698	S	S	*	*			trans	-64	170.7	-171.6	0	0	0	0	0	117.3	E220 A224	E220-G222 PolarHBondContact O-N 3.24Å; G222-A224 PolarHBondContact O-N 3.25Å; G222-A224 VanDerWaalsContact O-N 3.07Å
223	V	38.4	Very low	34.4	Very low	162 Å²	162	123.3 Å²	123.3	98%	0.982	67%	0.671	S	S	*	*			trans	-63.9	105.6	-168.6	-177.1	0	0	0	0	113.1
224	A	27.4	Very low	35.2	Very low	65 Å²	65	122.6 Å²	122.6	54%	0.537	65%	0.651	S	S	.	*			trans	-133.6	132.4	169.2	0	0	0	0	0	112.1	G222	G222-A224 PolarHBondContact O-N 3.25Å; G222-A224 VanDerWaalsContact O-N 3.07Å
225	S	35.1	Very low	35.7	Very low	85 Å²	85	121.6 Å²	121.6	59%	0.594	64%	0.635	S	S	*	*			trans	-70.5	135.8	179.5	-178.6	0	0	0	0	112	A227 S228	S225-A227 PolarHBondContact O-N 2.86Å; S225-S228 PolarHBondContact O-N 3.49Å
226	W	39.4	Very low	36.1	Very low	124 Å²	124	118.4 Å²	118.4	47%	0.47	62%	0.62	S	S	.	*	H	α-helix	trans	-62.6	-9.5	-174.9	-88.1	62.8	0	0	0	115	H639	W226-H639 AromaticContact CH2-NE2 3.85Å; W226-H639 AromaticContact CZ3-NE2 3.98Å
227	A	39.1	Very low	36.9	Very low	32 Å²	32	116 Å²	116	26%	0.264	60%	0.599	S	S	.	*	H	α-helix	trans	-64.6	-38	168.8	0	0	0	0	0	113.5	S225 M231	S225-A227 PolarHBondContact O-N 2.86Å; A227-M231 WeakPolarHBondContact O-CG 3.43Å
228	S	36.4	Very low	37.5	Very low	82 Å²	82	111.3 Å²	111.3	57%	0.573	58%	0.577	S	S	*	*	H	α-helix	trans	-82.1	-36.6	-168.1	-58.5	0	0	0	0	113.2	S225 R230 M231	S225-S228 PolarHBondContact O-N 3.49Å; S228-R230 PolarHBondContact O-N 3.08Å; S228-M231 PolarHBondContact O-N 2.73Å
229	V	38.3	Very low	38.1	Very low	95 Å²	95	112 Å²	112	58%	0.576	57%	0.573	S	S	*	*	H	α-helix	trans	-67	-38.3	-171.6	-176.5	0	0	0	0	112.4
230	R	50	Low	38.5	Very low	119 Å²	119	105.3 Å²	105.3	45%	0.449	55%	0.551	S	S	.	*	H	α-helix	trans	-62	-45.4	175.1	-85.7	-172.1	173.9	139.3	5.9	112.7	S228 Q232 G233 D234 E814	S228-R230 PolarHBondContact O-N 3.08Å; R230-Q232 PolarHBondContact O-N 3.49Å; R230-G233 PolarHBondContact O-N 2.91Å; R230-D234 PolarHBondContact O-N 3.07Å; R230-E814 IonicContact NH1-OE2 3.61Å
231	M	39.3	Very low	38.7	Very low	81 Å²	81	97.6 Å²	97.6	40%	0.399	52%	0.52	S	S	.	.	H	α-helix	trans	-60.7	-24.4	-169.8	-65.4	-57.7	-62.2	0	0	113.8	A227 S228 R235	A227-M231 WeakPolarHBondContact O-CG 3.43Å; S228-M231 PolarHBondContact O-N 2.73Å; M231-R235 WeakPolarHBondContact O-CB 3.43Å; M231-R235 WeakPolarHBondContact O-CD 3.39Å; M231-R235 WeakPolarHBondContact O-CG 3.46Å; M231-R235 PolarHBondContact O-N 3.17Å
232	Q	32	Very low	38.9	Very low	158 Å²	158	97.2 Å²	97.2	74%	0.738	51%	0.511	S	S	*	.	H	α-helix	trans	-89.2	-39.8	-180	-164.1	157.8	-6.3	0	0	113	R230 Q236	R230-Q232 PolarHBondContact O-N 3.49Å; Q232-Q236 PolarHBondContact O-N 3.42Å
233	G	38.8	Very low	39.5	Very low	32 Å²	32	101.1 Å²	101.1	33%	0.33	51%	0.514	S	S	.	.	H	α-helix	trans	-64.2	-44.2	172.7	0	0	0	0	0	112.1	R230 Q236 R237	R230-G233 PolarHBondContact O-N 2.91Å; G233-Q236 WeakPolarHBondContact O-CB 3.36Å; G233-Q236 PolarHBondContact O-N 3Å; G233-R237 PolarHBondContact O-N 3.06Å; G233-R237 VanDerWaalsContact O-N 3.09Å
234	D	43.3	Very low	39.7	Very low	56 Å²	56	98 Å²	98	30%	0.299	49%	0.489	S	S	.	.	H	α-helix	trans	-77.7	-25.3	-179.3	-66.4	-43.4	0	0	0	113.2	R230 Q236 R237 Q238	R230-D234 PolarHBondContact O-N 3.07Å; D234-Q236 VanDerWaalsContact C-N 3.29Å; D234-Q236 PolarHBondContact O-N 2.69Å; D234-R237 PolarHBondContact O-N 2.74Å; D234-R237 IonicContact OD1-CZ 3.6Å; D234-R237 IonicContact OD1-NE 2.7Å; D234-R237 PolarHBondContact OD1-NE 3.42Å; D234-R237 IonicContact OD1-NH2 2.67Å; D234-R237 PolarHBondContact OD1-NH2 2.68Å; D234-R237 IonicContact OD2-NH2 3.75Å; D234-Q238 VanDerWaalsContact O-CB 3.24Å; D234-Q238 WeakPolarHBondContact O-CB 3.33Å; D234-Q238 WeakPolarHBondContact O-CG 3.12Å; D234-Q238 PolarHBondContact O-N 2.71Å
235	R	41.3	Very low	40.3	Very low	148 Å²	148	98.2 Å²	98.2	56%	0.558	48%	0.481	S	S	*	.	H	α-helix	trans	-72.8	-16.9	166.5	-78.5	174.2	-176.6	174.2	-0.1	114.4	M231 R239	M231-R235 WeakPolarHBondContact O-CB 3.43Å; M231-R235 WeakPolarHBondContact O-CD 3.39Å; M231-R235 WeakPolarHBondContact O-CG 3.46Å; M231-R235 PolarHBondContact O-N 3.17Å; R235-R239 PolarHBondContact O-NE 3.01Å; R235-R239 VanDerWaalsContact O-NE 3.12Å; R235-R239 PolarHBondContact O-NH2 3.45Å
236	Q	38.5	Very low	40.6	Very low	125 Å²	125	100.6 Å²	100.6	58%	0.584	48%	0.483	S	S	*	.	H	α-helix	trans	-79.6	-45.8	169.1	-155.7	88	-19	0	0	109.1	Q232 G233 D234 R239	Q232-Q236 PolarHBondContact O-N 3.42Å; G233-Q236 WeakPolarHBondContact O-CB 3.36Å; G233-Q236 PolarHBondContact O-N 3Å; D234-Q236 VanDerWaalsContact C-N 3.29Å; D234-Q236 PolarHBondContact O-N 2.69Å; Q236-R239 PolarHBondContact O-N 3.18Å
237	R	46.8	Very low	40.8	Very low	107 Å²	107	98.6 Å²	98.6	40%	0.404	48%	0.484	S	S	.	.	H	α-helix	trans	-62.3	-45	173.5	-78.1	-176.6	-79.3	-100.7	5.4	113.3	G233 D234 R239 A240 A241	G233-R237 PolarHBondContact O-N 3.06Å; G233-R237 VanDerWaalsContact O-N 3.09Å; D234-R237 PolarHBondContact O-N 2.74Å; D234-R237 IonicContact OD1-CZ 3.6Å; D234-R237 IonicContact OD1-NE 2.7Å; D234-R237 PolarHBondContact OD1-NE 3.42Å; D234-R237 IonicContact OD1-NH2 2.67Å; D234-R237 PolarHBondContact OD1-NH2 2.68Å; D234-R237 IonicContact OD2-NH2 3.75Å; R237-R239 PolarHBondContact O-N 2.88Å; R237-A240 PolarHBondContact O-N 2.93Å; R237-A241 WeakPolarHBondContact O-CB 3.39Å; R237-A241 PolarHBondContact O-N 3.5Å
238	Q	45.2	Very low	40.9	Very low	94 Å²	94	100 Å²	100	44%	0.439	49%	0.487	S	S	.	.	H	α-helix	trans	-61.3	-11.5	176.9	-78.1	175.5	-6.3	0	0	114.5	D234 R242	D234-Q238 VanDerWaalsContact O-CB 3.24Å; D234-Q238 WeakPolarHBondContact O-CB 3.33Å; D234-Q238 WeakPolarHBondContact O-CG 3.12Å; D234-Q238 PolarHBondContact O-N 2.71Å; Q238-R242 WeakPolarHBondContact O-CD 2.99Å; Q238-R242 VanDerWaalsContact O-CG 3.29Å; Q238-R242 WeakPolarHBondContact O-CG 3.34Å
239	R	43.2	Very low	41.2	Very low	157 Å²	157	99.2 Å²	99.2	59%	0.592	48%	0.481	S	S	*	.	H	α-helix	trans	-87	-33.6	170	-88.9	176.9	-74.1	160.4	3.3	112.9	R235 Q236 R237	R235-R239 PolarHBondContact O-NE 3.01Å; R235-R239 VanDerWaalsContact O-NE 3.12Å; R235-R239 PolarHBondContact O-NH2 3.45Å; Q236-R239 PolarHBondContact O-N 3.18Å; R237-R239 PolarHBondContact O-N 2.88Å
240	A	39.6	Very low	41.4	Very low	51 Å²	51	100.5 Å²	100.5	42%	0.421	48%	0.484	S	S	.	.	H	α-helix	trans	-73.1	-46.6	167.3	0	0	0	0	0	110.9	R237 R242 E243 E244	R237-A240 PolarHBondContact O-N 2.93Å; A240-R242 PolarHBondContact O-N 3.15Å; A240-E243 WeakPolarHBondContact O-CB 3.47Å; A240-E243 PolarHBondContact O-N 3.2Å; A240-E244 PolarHBondContact O-N 2.8Å
241	A	39.7	Very low	41.2	Very low	31 Å²	31	101 Å²	101	26%	0.256	50%	0.495	S	S	.	.	H	α-helix	trans	-69.3	-3	-177.4	0	0	0	0	0	115	R237 E244 D245	R237-A241 WeakPolarHBondContact O-CB 3.39Å; R237-A241 PolarHBondContact O-N 3.5Å; A241-E244 WeakPolarHBondContact CA-OE2 3.48Å; A241-E244 HydrophobicContact CB-CB 4.5Å; A241-E244 WeakPolarHBondContact CB-OE2 3.36Å; A241-D245 WeakPolarHBondContact O-CB 3.29Å; A241-D245 PolarHBondContact O-N 2.85Å
242	R	37.8	Very low	41.4	Very low	182 Å²	182	100.9 Å²	100.9	69%	0.687	50%	0.496	S	S	*	.	H	α-helix	trans	-74.3	-39.3	165	-87.9	170.9	-179.1	-131.6	-2.7	111.6	Q238 A240 E246	Q238-R242 WeakPolarHBondContact O-CD 2.99Å; Q238-R242 VanDerWaalsContact O-CG 3.29Å; Q238-R242 WeakPolarHBondContact O-CG 3.34Å; A240-R242 PolarHBondContact O-N 3.15Å; R242-E246 PolarHBondContact O-N 3.18Å
243	E	39.8	Very low	41.7	Very low	137 Å²	137	101.2 Å²	101.2	64%	0.64	50%	0.495	S	S	*	.	H	α-helix	trans	-66	-34	170.9	-53.3	177.1	-178.8	0	0	109.5	A240 V247	A240-E243 WeakPolarHBondContact O-CB 3.47Å; A240-E243 PolarHBondContact O-N 3.2Å; E243-V247 WeakPolarHBondContact O-CG2 3.38Å; E243-V247 PolarHBondContact O-N 2.98Å; E243-V247 VanDerWaalsContact O-N 3.08Å
244	E	41.8	Very low	41.7	Very low	98 Å²	98	102.4 Å²	102.4	46%	0.458	51%	0.507	S	S	.	.	H	α-helix	trans	-74.3	-37.6	175.6	-54.8	172.6	162.3	0	0	113.9	A240 A241 E246 V247 L248	A240-E244 PolarHBondContact O-N 2.8Å; A241-E244 WeakPolarHBondContact CA-OE2 3.48Å; A241-E244 HydrophobicContact CB-CB 4.5Å; A241-E244 WeakPolarHBondContact CB-OE2 3.36Å; E244-E246 VanDerWaalsContact C-N 3.3Å; E244-E246 PolarHBondContact O-N 2.99Å; E244-V247 PolarHBondContact O-N 3.25Å; E244-L248 WeakPolarHBondContact O-CB 3.5Å; E244-L248 PolarHBondContact O-N 3.44Å
245	D	40.9	Very low	41.2	Very low	69 Å²	69	106.5 Å²	106.5	37%	0.369	54%	0.537	S	S	.	.	H	α-helix	trans	-64.2	-35.4	173.9	-108.6	-16.7	0	0	0	110.9	A241 S249 K820	A241-D245 WeakPolarHBondContact O-CB 3.29Å; A241-D245 PolarHBondContact O-N 2.85Å; D245-S249 VanDerWaalsContact O-CB 3.3Å; D245-S249 WeakPolarHBondContact O-CB 3.5Å; D245-S249 PolarHBondContact O-N 3.26Å; D245-S249 PolarHBondContact O-OG 3.4Å; D245-K820 IonicContact OD1-NZ 2.72Å; D245-K820 PolarHBondContact OD1-NZ 3.07Å; D245-K820 IonicContact OD2-NZ 3.19Å; D245-K820 PolarHBondContact OD2-NZ 3.09Å
246	E	41.5	Very low	40.6	Very low	134 Å²	134	106 Å²	106	63%	0.626	55%	0.55	S	S	*	.	H	α-helix	trans	-66.4	-47.4	171.6	-73.7	-178.9	-176.2	0	0	111.4	R242 E244 L248 S249 L250	R242-E246 PolarHBondContact O-N 3.18Å; E244-E246 VanDerWaalsContact C-N 3.3Å; E244-E246 PolarHBondContact O-N 2.99Å; E246-L248 PolarHBondContact O-N 3.1Å; E246-S249 PolarHBondContact O-N 3.01Å; E246-S249 PolarHBondContact O-OG 2.73Å; E246-S249 VanDerWaalsContact O-OG 3.13Å; E246-L250 WeakPolarHBondContact O-CB 3.43Å; E246-L250 VanDerWaalsContact O-CG 3.28Å; E246-L250 WeakPolarHBondContact O-CG 3.49Å; E246-L250 PolarHBondContact O-N 3.29Å
247	V	43.1	Very low	40.1	Very low	82 Å²	82	104.4 Å²	104.4	50%	0.497	56%	0.559	S	S	.	*	H	α-helix	trans	-63.9	-41	176.8	170.1	0	0	0	0	112.3	E243 E244 L250 L251	E243-V247 WeakPolarHBondContact O-CG2 3.38Å; E243-V247 PolarHBondContact O-N 2.98Å; E243-V247 VanDerWaalsContact O-N 3.08Å; E244-V247 PolarHBondContact O-N 3.25Å; V247-L250 PolarHBondContact O-N 2.9Å; V247-L251 HydrophobicContact CG1-CD1 3.82Å; V247-L251 HydrophobicContact CG1-CG 4.37Å; V247-L251 WeakPolarHBondContact O-CB 3.44Å; V247-L251 VanDerWaalsContact O-CG 3.29Å; V247-L251 WeakPolarHBondContact O-CG 3.48Å; V247-L251 PolarHBondContact O-N 3.09Å
248	L	40.9	Very low	39.4	Very low	62 Å²	62	105.1 Å²	105.1	33%	0.325	58%	0.577	S	S	.	*	H	α-helix	trans	-66.1	-41	176	-88.2	163.6	0	0	0	112.3	E244 E246 L250 L251 L252	E244-L248 WeakPolarHBondContact O-CB 3.5Å; E244-L248 PolarHBondContact O-N 3.44Å; E246-L248 PolarHBondContact O-N 3.1Å; L248-L250 VanDerWaalsContact C-N 3.31Å; L248-L250 PolarHBondContact O-N 3.07Å; L248-L251 PolarHBondContact O-N 3.48Å; L248-L252 WeakPolarHBondContact O-CB 3.22Å; L248-L252 WeakPolarHBondContact O-CD1 3.5Å; L248-L252 WeakPolarHBondContact O-CG 3.11Å; L248-L252 PolarHBondContact O-N 3.27Å
249	S	44.1	Very low	38.7	Very low	66 Å²	66	106.7 Å²	106.7	46%	0.462	60%	0.596	S	S	.	*	H	α-helix	trans	-73.1	-22.3	177.5	57.5	0	0	0	0	113.5	D245 E246	D245-S249 VanDerWaalsContact O-CB 3.3Å; D245-S249 WeakPolarHBondContact O-CB 3.5Å; D245-S249 PolarHBondContact O-N 3.26Å; D245-S249 PolarHBondContact O-OG 3.4Å; E246-S249 PolarHBondContact O-N 3.01Å; E246-S249 PolarHBondContact O-OG 2.73Å; E246-S249 VanDerWaalsContact O-OG 3.13Å
250	L	42.7	Very low	37.9	Very low	122 Å²	122	105.1 Å²	105.1	64%	0.639	61%	0.608	S	S	*	*	H	α-helix	trans	-75.2	-45.8	166.5	-72.1	167.1	0	0	0	112.1	E246 V247 L248 L252 K253	E246-L250 WeakPolarHBondContact O-CB 3.43Å; E246-L250 VanDerWaalsContact O-CG 3.28Å; E246-L250 WeakPolarHBondContact O-CG 3.49Å; E246-L250 PolarHBondContact O-N 3.29Å; V247-L250 PolarHBondContact O-N 2.9Å; L248-L250 VanDerWaalsContact C-N 3.31Å; L248-L250 PolarHBondContact O-N 3.07Å; L250-L252 PolarHBondContact O-N 3.29Å; L250-K253 PolarHBondContact O-N 2.93Å
251	L	43.9	Very low	37.3	Very low	128 Å²	128	111.4 Å²	111.4	67%	0.67	63%	0.629	S	S	*	*	H	α-helix	trans	-63.5	-21	176.4	-74.6	168.7	0	0	0	113.6	V247 L248 K253	V247-L251 HydrophobicContact CG1-CD1 3.82Å; V247-L251 HydrophobicContact CG1-CG 4.37Å; V247-L251 WeakPolarHBondContact O-CB 3.44Å; V247-L251 VanDerWaalsContact O-CG 3.29Å; V247-L251 WeakPolarHBondContact O-CG 3.48Å; V247-L251 PolarHBondContact O-N 3.09Å; L248-L251 PolarHBondContact O-N 3.48Å; L251-K253 VanDerWaalsContact C-N 3.3Å
252	L	44.3	Very low	36.7	Very low	80 Å²	80	114.8 Å²	114.8	42%	0.419	66%	0.657	S	S	.	*	T	Hydrogen-bonded Turn	trans	-82.3	0.7	173.4	-76.2	167.2	0	0	0	114	L248 L250 R831	L248-L252 WeakPolarHBondContact O-CB 3.22Å; L248-L252 WeakPolarHBondContact O-CD1 3.5Å; L248-L252 WeakPolarHBondContact O-CG 3.11Å; L248-L252 PolarHBondContact O-N 3.27Å; L250-L252 PolarHBondContact O-N 3.29Å; L252-R831 VanDerWaalsContact CD2-NH2 3.27Å
253	K	38.2	Very low	36.2	Very low	165 Å²	165	115.4 Å²	115.4	72%	0.717	67%	0.667	S	S	*	*			trans	-123.8	99.3	-167.9	-155.9	173.1	-173.2	-179.6	0	112.1	L250 L251	L250-K253 PolarHBondContact O-N 2.93Å; L251-K253 VanDerWaalsContact C-N 3.3Å
254	G	38.6	Very low	35.6	Very low	57 Å²	57	112.6 Å²	112.6	59%	0.588	68%	0.675	S	S	*	*			trans	-67	169.1	178.4	0	0	0	0	0	114.4
255	P	32.9	Very low	34.9	Very low	142 Å²	142	115.9 Å²	115.9	92%	0.922	70%	0.696	S	S	*	*			trans	-68.8	136	-171.6	-18.7	32.4	0	0	0	113.7
256	T	29.7	Very low	34.3	Very low	136 Å²	136	120.9 Å²	120.9	83%	0.834	72%	0.722	S	S	*	*			trans	-118.6	130.9	170.8	42.9	0	0	0	0	111.4
257	A	27.5	Very low	33.6	Very low	93 Å²	93	123.9 Å²	123.9	77%	0.769	73%	0.733	S	S	*	*	P	Polyproline II helix	trans	-75.6	157.7	172.4	0	0	0	0	0	112.1
258	P	31.7	Very low	33	Very low	121 Å²	121	127.5 Å²	127.5	79%	0.786	75%	0.748	S	S	*	*	P	Polyproline II helix	trans	-76.1	159.3	-176.1	31.1	-36.1	0	0	0	113.9
259	P	31.6	Very low	32.4	Very low	128 Å²	128	130.4 Å²	130.4	83%	0.831	77%	0.771	S	S	*	*	P	Polyproline II helix	trans	-85.8	167.1	-174.7	36.1	-37.3	0	0	0	113.9
260	S	24.6	Very low	31.5	Very low	123 Å²	123	133.3 Å²	133.3	86%	0.86	79%	0.786	S	S	*	*			trans	-135.1	139.4	164.5	-171.3	0	0	0	0	109.5
261	E	27.4	Very low	30.6	Very low	183 Å²	183	132 Å²	132	86%	0.855	79%	0.792	S	S	*	*			trans	-96	140	-177.2	-63.3	-177.6	123.1	0	0	112.1
262	A	26.8	Very low	29.6	Very low	102 Å²	102	131 Å²	131	84%	0.843	80%	0.803	S	S	*	*			trans	-152.6	143.6	160.3	0	0	0	0	0	110.4
263	H	29	Very low	28.6	Very low	195 Å²	195	130.9 Å²	130.9	90%	0.903	82%	0.82	S	S	*	*			trans	-92.5	154.9	-176	-68.4	-101.9	0	0	0	113
264	G	27.2	Very low	28	Very low	78 Å²	78	130.3 Å²	130.3	80%	0.804	83%	0.83	S	S	*	*			trans	178.8	101.5	166.1	0	0	0	0	0	114
265	D	26.5	Very low	27.3	Very low	167 Å²	167	132.1 Å²	132.1	89%	0.893	84%	0.84	S	S	*	*			trans	-70	149.3	165.4	-87.4	-62.3	0	0	0	111.5
266	L	27.5	Very low	26.9	Very low	174 Å²	174	137.1 Å²	137.1	91%	0.911	84%	0.84	S	S	*	*			trans	-169.5	165.6	130.1	-103.5	167.6	0	0	0	112.1
267	K	28	Very low	26.6	Very low	198 Å²	198	142.1 Å²	142.1	86%	0.861	84%	0.844	S	S	*	*			trans	-98.3	149.7	-165.4	-70.4	171.5	178.6	165	0	114.8
268	L	30.6	Very low	26.6	Very low	157 Å²	157	143.8 Å²	143.8	82%	0.822	85%	0.847	S	S	*	*			trans	-67.5	157.8	160.4	-69.1	167.5	0	0	0	113	V270	L268-V270 HydrophobicContact CB-CG2 4.49Å
269	P	26.9	Very low	26.3	Very low	124 Å²	124	143.2 Å²	143.2	81%	0.805	85%	0.846	S	S	*	*			trans	-118.5	159.4	143.6	36.4	-27.5	0	0	0	112.9
270	V	24.8	Very low	26.3	Very low	126 Å²	126	146.7 Å²	146.7	76%	0.764	85%	0.851	S	S	*	*			trans	-149.4	143.2	-164.1	169.2	0	0	0	0	109.4	L268	L268-V270 HydrophobicContact CB-CG2 4.49Å
271	A	25.2	Very low	26.7	Very low	95 Å²	95	145 Å²	145	79%	0.785	84%	0.839	S	S	*	*			cis	-168.8	168.4	-22.3	0	0	0	0	0	108.5
272	A	23.2	Very low	26.9	Very low	108 Å²	108	146.2 Å²	146.2	89%	0.893	84%	0.844	S	S	*	*			trans	-153.1	147	171	0	0	0	0	0	112.5
273	G	23.5	Very low	27.6	Very low	76 Å²	76	146.7 Å²	146.7	78%	0.784	83%	0.832	S	S	*	*			trans	-138.3	177.9	179	0	0	0	0	0	113.1
274	V	24.2	Very low	28.2	Very low	153 Å²	153	141.2 Å²	141.2	93%	0.927	81%	0.81	S	S	*	*			trans	-128.7	135.5	176.8	179.3	0	0	0	0	109.6
275	A	23.6	Very low	28.7	Very low	95 Å²	95	142.2 Å²	142.2	79%	0.785	80%	0.804	S	S	*	*			trans	-88.8	157.9	-169.8	0	0	0	0	0	114.4
276	R	24.5	Very low	29.2	Very low	248 Å²	248	136.9 Å²	136.9	94%	0.936	77%	0.773	S	S	*	*			trans	-114.6	148.2	156.1	-84.2	-174.7	167.9	177.5	-3.2	110
277	R	24.8	Very low	30.1	Very low	241 Å²	241	129.5 Å²	129.5	91%	0.909	74%	0.736	S	S	*	*			trans	-78.9	150.1	-177.9	-64.2	177.4	-178.1	144.2	-0.6	111.1
278	P	27	Very low	30.8	Very low	128 Å²	128	126.4 Å²	126.4	83%	0.831	72%	0.719	S	S	*	*			trans	-75.6	152.6	167.7	33.6	-34.8	0	0	0	111.3
279	S	25.1	Very low	31.3	Very low	108 Å²	108	121.6 Å²	121.6	76%	0.755	69%	0.692	S	S	*	*			trans	-114.3	133	164.8	53.5	0	0	0	0	109
280	E	32.2	Very low	32.1	Very low	202 Å²	202	115.7 Å²	115.7	94%	0.944	65%	0.654	S	S	*	*			trans	-75.7	124.8	-173.4	-61.1	-177.4	124.6	0	0	112.8
281	S	32.1	Very low	33.3	Very low	86 Å²	86	111.5 Å²	111.5	60%	0.601	63%	0.626	S	S	*	*			trans	-164.5	85.2	163	43.2	0	0	0	0	111.4	L283	S281-L283 PolarHBondContact O-N 2.85Å
282	Q	33.1	Very low	34.1	Very low	209 Å²	209	111 Å²	111	98%	0.977	61%	0.61	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77	36.1	-179.8	-66.4	-165.9	-4.5	0	0	114.3
283	L	40.3	Very low	34.8	Very low	112 Å²	112	108.3 Å²	108.3	59%	0.586	58%	0.58	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.7	-28.1	-180	-65.4	171.7	0	0	0	113.2	S281 S285 F286 S287	S281-L283 PolarHBondContact O-N 2.85Å; L283-S285 PolarHBondContact O-N 2.96Å; L283-F286 PolarHBondContact O-N 2.85Å; L283-F286 VanDerWaalsContact O-N 3.12Å; L283-S287 PolarHBondContact O-OG 2.98Å
284	D	42.6	Very low	35.9	Very low	80 Å²	80	104.9 Å²	104.9	43%	0.428	54%	0.544	S	S	.	.	H	α-helix	trans	-54.5	-18.6	-168.2	-178.2	52.3	0	0	0	116.5	R288	D284-R288 WeakPolarHBondContact O-CB 3.45Å; D284-R288 PolarHBondContact O-N 3.4Å; D284-R288 IonicContact OD1-CZ 2.69Å; D284-R288 IonicContact OD1-NH2 2.74Å; D284-R288 PolarHBondContact OD1-NH2 3.32Å; D284-R288 IonicContact OD2-CZ 2.62Å; D284-R288 IonicContact OD2-NH1 3.58Å; D284-R288 IonicContact OD2-NH2 3.65Å; D284-R288 PolarHBondContact OD2-NH2 3.41Å
285	S	38.1	Very low	36.8	Very low	99 Å²	99	102.3 Å²	102.3	69%	0.692	52%	0.522	S	S	*	.	H	α-helix	trans	-77.3	-36.4	179.1	-166	0	0	0	0	113.4	L283	L283-S285 PolarHBondContact O-N 2.96Å
286	F	36.9	Very low	37.7	Very low	56 Å²	56	99.6 Å²	99.6	25%	0.246	50%	0.497	C	S	.	.	H	α-helix	trans	-84.3	-41.7	179.5	-177.6	-100.3	0	0	0	111.3	L283 R288 H289 F290 T524 C527	L283-F286 PolarHBondContact O-N 2.85Å; L283-F286 VanDerWaalsContact O-N 3.12Å; F286-R288 PolarHBondContact O-N 3.42Å; F286-H289 WeakPolarHBondContact O-CB 3.2Å; F286-H289 PolarHBondContact O-N 3.21Å; F286-F290 PolarHBondContact O-N 3.13Å; F286-T524 HydrophobicContact CD2-CG2 4.46Å; F286-T524 HydrophobicContact CE2-CG2 3.9Å; F286-T524 HydrophobicContact CZ-CG2 4.02Å; F286-C527 HydrophobicContact CE1-CB 3.62Å; F286-C527 HydrophobicContact CZ-CB 3.77Å
287	S	44.8	Very low	38.5	Very low	19 Å²	19	90.5 Å²	90.5	13%	0.133	47%	0.465	C	S	.	.	H	α-helix	trans	-51.1	-53.7	175.8	-54	0	0	0	0	111.5	L283 H289 F290 E291 E498	L283-S287 PolarHBondContact O-OG 2.98Å; S287-H289 PolarHBondContact O-N 3.31Å; S287-F290 PolarHBondContact O-N 3.37Å; S287-E291 WeakPolarHBondContact O-CB 3.22Å; S287-E291 VanDerWaalsContact O-CG 3.29Å; S287-E291 WeakPolarHBondContact O-CG 3.46Å; S287-E291 PolarHBondContact O-N 3.27Å; S287-E498 VanDerWaalsContact CA-OE1 3.3Å; S287-E498 WeakPolarHBondContact CA-OE1 3.29Å; S287-E498 VanDerWaalsContact CA-OE2 3.3Å; S287-E498 WeakPolarHBondContact CA-OE2 3.31Å; S287-E498 WeakPolarHBondContact CB-OE1 3.42Å; S287-E498 WeakPolarHBondContact CB-OE2 3.38Å; S287-E498 PolarHBondContact OG-OE1 2.94Å
288	R	43.7	Very low	39.2	Very low	133 Å²	133	82.3 Å²	82.3	50%	0.502	43%	0.434	S	S	.	.	H	α-helix	trans	-59.1	-24.8	179	-164.1	171.8	-62.4	150.6	9.6	114.1	D284 F286 N292	D284-R288 WeakPolarHBondContact O-CB 3.45Å; D284-R288 PolarHBondContact O-N 3.4Å; D284-R288 IonicContact OD1-CZ 2.69Å; D284-R288 IonicContact OD1-NH2 2.74Å; D284-R288 PolarHBondContact OD1-NH2 3.32Å; D284-R288 IonicContact OD2-CZ 2.62Å; D284-R288 IonicContact OD2-NH1 3.58Å; D284-R288 IonicContact OD2-NH2 3.65Å; D284-R288 PolarHBondContact OD2-NH2 3.41Å; F286-R288 PolarHBondContact O-N 3.42Å; R288-N292 PolarHBondContact O-ND2 3Å
289	H	40.6	Very low	39.6	Very low	56 Å²	56	80.3 Å²	80.3	26%	0.259	43%	0.428	S	S	.	.	H	α-helix	trans	-81.1	-42.7	174.1	-174.5	66.4	0	0	0	112.3	F286 S287 E291 N292 I293 I751	F286-H289 WeakPolarHBondContact O-CB 3.2Å; F286-H289 PolarHBondContact O-N 3.21Å; S287-H289 PolarHBondContact O-N 3.31Å; H289-E291 VanDerWaalsContact C-N 3.35Å; H289-N292 PolarHBondContact O-N 2.99Å; H289-I293 WeakPolarHBondContact NE2-CD1 3.41Å; H289-I293 PolarHBondContact O-N 3.1Å; H289-I751 PolarHBondContact CE1-O 2.8Å
290	F	44.3	Very low	40.3	Very low	0 Å²	0	81.3 Å²	81.3	0%	0	42%	0.419	C	S	.	.	H	α-helix	trans	-60.8	-44	173.2	-179.2	-106.7	0	0	0	111.4	F286 S287 N292 I293 M294 T494 E498 L501 C527 L531	F286-F290 PolarHBondContact O-N 3.13Å; S287-F290 PolarHBondContact O-N 3.37Å; F290-N292 PolarHBondContact O-N 3.1Å; F290-I293 PolarHBondContact O-N 3.45Å; F290-M294 HydrophobicContact CD2-CG 4.2Å; F290-M294 HydrophobicContact CE1-CG 4.13Å; F290-M294 HydrophobicContact CE2-CG 3.77Å; F290-M294 HydrophobicContact CE2-SD 4.35Å; F290-M294 HydrophobicContact CZ-CE 4.36Å; F290-M294 HydrophobicContact CZ-CG 3.74Å; F290-M294 HydrophobicContact CZ-SD 4.34Å; F290-M294 PolarHBondContact O-N 3.38Å; F290-T494 HydrophobicContact CD1-CG2 3.46Å; F290-T494 VanDerWaalsContact CD1-CG2 3.46Å; F290-T494 HydrophobicContact CE1-CG2 3.56Å; F290-T494 HydrophobicContact CG-CG2 4.34Å; F290-E498 HydrophobicContact CD1-CB 3.88Å; F290-E498 HydrophobicContact CD1-CG 3.87Å; F290-E498 WeakPolarHBondContact CD1-OE2 3.42Å; F290-E498 HydrophobicContact CE1-CB 3.8Å; F290-E498 HydrophobicContact CE1-CG 4.08Å; F290-L501 HydrophobicContact CE1-CD1 4.47Å; F290-L501 HydrophobicContact CZ-CD1 3.88Å; F290-C527 HydrophobicContact CD2-CB 3.78Å; F290-C527 HydrophobicContact CE2-CB 3.85Å; F290-C527 HydrophobicContact CG-CB 4.49Å; F290-L531 HydrophobicContact CD2-CG 4.48Å
291	E	50	Low	40.5	Very low	38 Å²	38	74.4 Å²	74.4	18%	0.178	40%	0.402	C	S	.	.	H	α-helix	trans	-44.1	-61.8	171.8	-78.5	175	-122.4	0	0	112.3	S287 H289 I293 M294 E295 T494 Q495	S287-E291 WeakPolarHBondContact O-CB 3.22Å; S287-E291 VanDerWaalsContact O-CG 3.29Å; S287-E291 WeakPolarHBondContact O-CG 3.46Å; S287-E291 PolarHBondContact O-N 3.27Å; H289-E291 VanDerWaalsContact C-N 3.35Å; E291-I293 VanDerWaalsContact C-N 3.33Å; E291-I293 PolarHBondContact O-N 3.14Å; E291-M294 PolarHBondContact O-N 2.71Å; E291-E295 WeakPolarHBondContact O-CB 3.29Å; E291-E295 PolarHBondContact O-N 3.4Å; E291-T494 VanDerWaalsContact CA-CG2 3.43Å; E291-T494 HydrophobicContact CB-CG2 4.46Å; E291-T494 HydrophobicContact CG-CG2 4.28Å; E291-T494 PolarHBondContact O-OG1 3.09Å; E291-T494 VanDerWaalsContact O-OG1 3.12Å; E291-Q495 VanDerWaalsContact CD-CG 3.44Å; E291-Q495 HydrophobicContact CG-CG 3.76Å; E291-Q495 WeakPolarHBondContact OE2-CG 3.19Å; E291-Q495 PolarHBondContact OE2-NE2 2.71Å
292	N	42.3	Very low	40.3	Very low	85 Å²	85	75.3 Å²	75.3	46%	0.455	40%	0.404	S	S	.	.	H	α-helix	trans	-57.4	-40.2	-178.8	-85.5	-85.2	0	0	0	113.1	R288 H289 F290 S296	R288-N292 PolarHBondContact O-ND2 3Å; H289-N292 PolarHBondContact O-N 2.99Å; F290-N292 PolarHBondContact O-N 3.1Å; N292-S296 PolarHBondContact O-N 2.94Å
293	I	38.4	Very low	39.9	Very low	50 Å²	50	71.4 Å²	71.4	26%	0.256	40%	0.4	S	S	.	.	H	α-helix	trans	-73.3	-48.7	-175.9	-62.1	170.1	0	0	0	111	H289 F290 E291 E295 S296 H297 L531	H289-I293 WeakPolarHBondContact NE2-CD1 3.41Å; H289-I293 PolarHBondContact O-N 3.1Å; F290-I293 PolarHBondContact O-N 3.45Å; E291-I293 VanDerWaalsContact C-N 3.33Å; E291-I293 PolarHBondContact O-N 3.14Å; I293-E295 VanDerWaalsContact C-N 3.27Å; I293-E295 PolarHBondContact O-N 2.91Å; I293-S296 WeakPolarHBondContact O-CB 3.29Å; I293-S296 PolarHBondContact O-N 3.14Å; I293-S296 PolarHBondContact O-OG 3.06Å; I293-H297 PolarHBondContact O-N 3.41Å; I293-L531 HydrophobicContact CB-CD2 4.14Å; I293-L531 HydrophobicContact CD1-CD1 3.93Å; I293-L531 HydrophobicContact CG2-CD2 3.51Å
294	M	45.4	Very low	39.2	Very low	4 Å²	4	76.8 Å²	76.8	2%	0.02	41%	0.414	C	S	.	.	H	α-helix	trans	-69.7	-26	178.5	-67.8	-76.1	-74.5	0	0	112.2	F290 E291 H297 R298 T494 L531 W582	F290-M294 HydrophobicContact CD2-CG 4.2Å; F290-M294 HydrophobicContact CE1-CG 4.13Å; F290-M294 HydrophobicContact CE2-CG 3.77Å; F290-M294 HydrophobicContact CE2-SD 4.35Å; F290-M294 HydrophobicContact CZ-CE 4.36Å; F290-M294 HydrophobicContact CZ-CG 3.74Å; F290-M294 HydrophobicContact CZ-SD 4.34Å; F290-M294 PolarHBondContact O-N 3.38Å; E291-M294 PolarHBondContact O-N 2.71Å; M294-H297 WeakPolarHBondContact O-CB 3.26Å; M294-H297 PolarHBondContact O-N 3.04Å; M294-R298 PolarHBondContact O-N 3Å; M294-T494 HydrophobicContact CB-CG2 3.47Å; M294-T494 VanDerWaalsContact CB-CG2 3.47Å; M294-T494 VanDerWaalsContact CB-OG1 3.26Å; M294-T494 WeakPolarHBondContact CB-OG1 3.49Å; M294-T494 HydrophobicContact CG-CG2 3.93Å; M294-L531 HydrophobicContact SD-CD2 4.49Å; M294-W582 HydrophobicContact CE-CH2 4.48Å
295	E	43.5	Very low	38.4	Very low	100 Å²	100	77.4 Å²	77.4	47%	0.467	42%	0.424	S	S	.	.	H	α-helix	trans	-71.7	-37	171.5	-176.2	157.9	-121.5	0	0	112	E291 I293 H297 R298 A299 T494	E291-E295 WeakPolarHBondContact O-CB 3.29Å; E291-E295 PolarHBondContact O-N 3.4Å; I293-E295 VanDerWaalsContact C-N 3.27Å; I293-E295 PolarHBondContact O-N 2.91Å; E295-H297 PolarHBondContact O-N 3.31Å; E295-R298 WeakPolarHBondContact O-CB 3.47Å; E295-R298 PolarHBondContact O-N 3.21Å; E295-A299 PolarHBondContact O-N 3.19Å; E295-T494 PolarHBondContact N-OG1 3.36Å
296	S	41.7	Very low	37.8	Very low	37 Å²	37	78.4 Å²	78.4	26%	0.259	43%	0.431	S	S	.	.	H	α-helix	trans	-59.7	-18	170.4	84.7	0	0	0	0	113.5	N292 I293	N292-S296 PolarHBondContact O-N 2.94Å; I293-S296 WeakPolarHBondContact O-CB 3.29Å; I293-S296 PolarHBondContact O-N 3.14Å; I293-S296 PolarHBondContact O-OG 3.06Å
297	H	41.4	Very low	37.5	Very low	58 Å²	58	83 Å²	83	27%	0.269	46%	0.457	S	S	.	.	H	α-helix	trans	-85.5	-26.4	170.9	-84.9	-98.8	0	0	0	114	I293 M294 E295 A299 K300 T534	I293-H297 PolarHBondContact O-N 3.41Å; M294-H297 WeakPolarHBondContact O-CB 3.26Å; M294-H297 PolarHBondContact O-N 3.04Å; E295-H297 PolarHBondContact O-N 3.31Å; H297-A299 VanDerWaalsContact C-N 3.28Å; H297-A299 PolarHBondContact O-N 3.15Å; H297-K300 PolarHBondContact O-N 2.85Å; H297-K300 VanDerWaalsContact O-N 3.16Å; H297-T534 WeakPolarHBondContact CE1-CG2 3.46Å
298	R	40.6	Very low	36.6	Very low	69 Å²	69	89.9 Å²	89.9	26%	0.26	49%	0.493	S	S	.	.	H	α-helix	trans	-60.8	-40.5	170.4	-67.4	176.5	128.5	-162.5	-8.5	111.1	M294 E295 K300 G301 T302 G492 E493	M294-R298 PolarHBondContact O-N 3Å; E295-R298 WeakPolarHBondContact O-CB 3.47Å; E295-R298 PolarHBondContact O-N 3.21Å; R298-K300 PolarHBondContact O-N 3.25Å; R298-G301 PolarHBondContact O-N 3.38Å; R298-T302 PolarHBondContact O-N 3.19Å; R298-G492 PolarHBondContact NH2-O 3.49Å; R298-E493 IonicContact CZ-OE1 2.68Å; R298-E493 VanDerWaalsContact NH1-CD 3.29Å; R298-E493 IonicContact NH1-OE1 3.11Å; R298-E493 PolarHBondContact NH1-OE1 2.65Å; R298-E493 IonicContact NH1-OE2 3.78Å; R298-E493 IonicContact NH2-OE1 3.77Å; R298-E493 PolarHBondContact NH2-OE1 2.75Å
299	A	34.8	Very low	35.9	Very low	85 Å²	85	89.2 Å²	89.2	70%	0.702	51%	0.509	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.5	-6.2	176.2	0	0	0	0	0	114.9	E295 H297	E295-A299 PolarHBondContact O-N 3.19Å; H297-A299 VanDerWaalsContact C-N 3.28Å; H297-A299 PolarHBondContact O-N 3.15Å
300	K	40.3	Very low	35.3	Very low	130 Å²	130	93.3 Å²	93.3	57%	0.565	54%	0.537	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.2	-0.6	-179.9	-63.5	176.2	-174.1	166.2	0	114.5	H297 R298	H297-K300 PolarHBondContact O-N 2.85Å; H297-K300 VanDerWaalsContact O-N 3.16Å; R298-K300 PolarHBondContact O-N 3.25Å
301	G	36.3	Very low	34.5	Very low	57 Å²	57	100.1 Å²	100.1	59%	0.588	57%	0.573	S	S	*	*	T	Hydrogen-bonded Turn	trans	179.8	11.9	-175.8	0	0	0	0	0	122.8	R298	R298-G301 PolarHBondContact O-N 3.38Å
302	T	27.3	Very low	33.6	Very low	104 Å²	104	106.6 Å²	106.6	64%	0.638	61%	0.608	S	S	*	*			trans	-146.2	114.4	165	51.7	0	0	0	0	111.8	R298	R298-T302 PolarHBondContact O-N 3.19Å
303	S	25.3	Very low	33	Very low	127 Å²	127	109.4 Å²	109.4	89%	0.888	62%	0.623	S	S	*	*			trans	-96.3	114.5	170.3	-62.8	0	0	0	0	110.3
304	Y	25.3	Very low	32.4	Very low	226 Å²	226	113.8 Å²	113.8	89%	0.886	65%	0.652	S	S	*	*			trans	-143.6	138.1	152.8	-145	-94.2	0	0	0	109
305	S	25.5	Very low	31.6	Very low	93 Å²	93	119.1 Å²	119.1	65%	0.65	69%	0.69	S	S	*	*			trans	-116.1	125.2	178.9	-177.5	0	0	0	0	108.1	L307	S305-L307 PolarHBondContact O-N 3.3Å; S305-L307 VanDerWaalsContact O-N 3.09Å
306	S	26.5	Very low	30.7	Very low	119 Å²	119	118.1 Å²	118.1	83%	0.832	71%	0.706	S	S	*	*			trans	-80	91.5	-179.5	-60.7	0	0	0	0	111
307	L	30.6	Very low	29.9	Very low	152 Å²	152	122.2 Å²	122.2	80%	0.796	74%	0.735	S	S	*	*			trans	-126	106.7	159.6	-73.1	177.9	0	0	0	108.3	S305	S305-L307 PolarHBondContact O-N 3.3Å; S305-L307 VanDerWaalsContact O-N 3.09Å
308	D	24.7	Very low	29.3	Very low	165 Å²	165	126 Å²	126	88%	0.882	76%	0.762	S	S	*	*			trans	-174	93	149.2	-107.9	-20.3	0	0	0	110.4
309	S	28.8	Very low	28.5	Very low	119 Å²	119	128.5 Å²	128.5	83%	0.832	79%	0.791	S	S	*	*			trans	172.6	115.5	164.9	-82.4	0	0	0	0	108
310	V	28.4	Very low	28.2	Very low	141 Å²	141	130.2 Å²	130.2	86%	0.855	79%	0.792	S	S	*	*			cis	-148.3	152.7	-2.1	-78.9	0	0	0	0	108.1
311	D	27.4	Very low	27.4	Very low	143 Å²	143	133.7 Å²	133.7	77%	0.765	81%	0.807	S	S	*	*			trans	-146.7	122.3	165.7	-150.8	-10.5	0	0	0	111.4
312	L	30.4	Very low	26.9	Very low	174 Å²	174	136.1 Å²	136.1	91%	0.911	81%	0.811	S	S	*	*			trans	-163.6	117.9	165.7	-113	175	0	0	0	108.8
313	L	31.2	Very low	26.8	Very low	145 Å²	145	140.8 Å²	140.8	76%	0.759	82%	0.823	S	S	*	*			trans	-80.3	156.7	-166.3	-56.6	167.4	0	0	0	113.3
314	T	26.2	Very low	26.9	Very low	141 Å²	141	140.7 Å²	140.7	87%	0.865	81%	0.813	S	S	*	*				-167.6	144.1	124.7	-77.6	0	0	0	0	112.3
315	S	27.3	Very low	26.9	Very low	116 Å²	116	137.3 Å²	137.3	81%	0.811	81%	0.809	S	S	*	*			trans	-48.1	130.3	-176.3	-46.7	0	0	0	0	118.4
316	G	25.4	Very low	27.5	Very low	79 Å²	79	138.2 Å²	138.2	81%	0.814	81%	0.812	S	S	*	*				61.2	112.9	112.7	0	0	0	0	0	120.9
317	S	25.1	Very low	27.8	Very low	124 Å²	124	138.6 Å²	138.6	87%	0.867	81%	0.81	S	S	*	*			trans	-150.8	156.5	143.9	-169.1	0	0	0	0	110.7
318	T	28	Very low	28	Very low	136 Å²	136	138.5 Å²	138.5	83%	0.834	81%	0.81	S	S	*	*			trans	-102.3	133.6	-170.6	53.5	0	0	0	0	113.4
319	S	24.9	Very low	29.6	Very low	123 Å²	123	134.4 Å²	134.4	86%	0.86	79%	0.79	S	S	*	*			trans	-160.6	145.6	136.7	57.4	0	0	0	0	111.6
320	V	28.4	Very low	30.4	Very low	120 Å²	120	133.1 Å²	133.1	73%	0.727	78%	0.779	S	S	*	*			trans	-108.7	143.3	177.5	167.1	0	0	0	0	108.3
321	F	23.5	Very low	31.1	Very low	203 Å²	203	132.9 Å²	132.9	89%	0.89	77%	0.769	S	S	*	*			trans	-159.8	152.5	133.1	-114.1	-73.1	0	0	0	112.1
322	T	25.3	Very low	32.3	Very low	109 Å²	109	130.2 Å²	130.2	67%	0.669	75%	0.754	S	S	*	*			trans	-120.9	155.5	-164.3	42.6	0	0	0	0	112.9
323	F	24.2	Very low	32.8	Very low	201 Å²	201	128.6 Å²	128.6	88%	0.882	74%	0.742	S	S	*	*			trans	-171.2	161.5	135.1	-140.7	-102.1	0	0	0	111.3
324	D	27.4	Very low	33.4	Very low	126 Å²	126	125.5 Å²	125.5	67%	0.674	73%	0.732	S	S	*	*				-151.6	167	-69.9	-157	-4.7	0	0	0	108.2
325	L	26.3	Very low	34.1	Very low	154 Å²	154	125.7 Å²	125.7	81%	0.806	72%	0.723	S	S	*	*			trans	-135	129.2	178.9	-166.9	74.3	0	0	0	111.7	T327	L325-T327 PolarHBondContact O-N 2.93Å
326	P	37.1	Very low	34.9	Very low	112 Å²	112	125.3 Å²	125.3	73%	0.727	71%	0.711	S	S	*	*			trans	-79.3	116.2	-162.4	28.8	-35	0	0	0	115.8
327	T	33.6	Very low	35.6	Very low	127 Å²	127	125.5 Å²	125.5	78%	0.779	70%	0.699	S	S	*	*				64.5	110.8	125.8	-34.8	0	0	0	0	120.1	L325	L325-T327 PolarHBondContact O-N 2.93Å
328	L	34.5	Very low	36.3	Very low	151 Å²	151	125.6 Å²	125.6	79%	0.791	69%	0.685	S	S	*	*			trans	-100.3	162.4	149.9	-80.2	165.9	0	0	0	110.3
329	T	58.2	Low	36.8	Very low	78 Å²	78	122.1 Å²	122.1	48%	0.479	67%	0.667	S	S	.	*			trans	-83.4	157.9	-166.8	49.5	0	0	0	0	115.3	E331	T329-E331 PolarHBondContact O-N 3.26Å
330	P	45.1	Very low	37.5	Very low	93 Å²	93	118.8 Å²	118.8	60%	0.604	65%	0.646	S	S	*	*	H	α-helix	trans	-63.2	-34.3	-168.8	-24.4	35.8	0	0	0	115.6	I332 Q333	P330-I332 PolarHBondContact O-N 3.21Å; P330-Q333 PolarHBondContact O-N 3.01Å; P330-Q333 VanDerWaalsContact O-N 3.13Å
331	E	43.3	Very low	38	Very low	135 Å²	135	120.8 Å²	120.8	63%	0.631	65%	0.646	S	S	*	*	H	α-helix	trans	-60.5	-35	-173.5	-66	69	-151.9	0	0	111.9	T329 Q333 S334	T329-E331 PolarHBondContact O-N 3.26Å; E331-Q333 VanDerWaalsContact C-N 3.34Å; E331-Q333 PolarHBondContact O-N 3.48Å; E331-S334 PolarHBondContact O-N 3.35Å
332	I	52.2	Low	38.7	Very low	87 Å²	87	118.2 Å²	118.2	45%	0.446	64%	0.636	S	S	.	*	H	α-helix	trans	-69.3	-32.9	-178.5	-60.8	176.2	0	0	0	111.2	P330 I336	P330-I332 PolarHBondContact O-N 3.21Å; I332-I336 HydrophobicContact CG2-CD1 3.94Å; I332-I336 WeakPolarHBondContact O-CG1 3.38Å; I332-I336 PolarHBondContact O-N 2.94Å
333	Q	42	Very low	39.4	Very low	141 Å²	141	119.6 Å²	119.6	66%	0.659	64%	0.638	S	S	*	*	H	α-helix	trans	-69.6	-34.3	178.7	-72.5	-170.9	-23.6	0	0	112.6	P330 E331 I336 C337	P330-Q333 PolarHBondContact O-N 3.01Å; P330-Q333 VanDerWaalsContact O-N 3.13Å; E331-Q333 VanDerWaalsContact C-N 3.34Å; E331-Q333 PolarHBondContact O-N 3.48Å; Q333-I336 PolarHBondContact O-N 3.36Å; Q333-C337 WeakPolarHBondContact O-CB 3.42Å; Q333-C337 PolarHBondContact O-N 2.9Å; Q333-C337 PolarHBondContact O-SG 2.88Å
334	S	43.4	Very low	39.9	Very low	79 Å²	79	117.7 Å²	117.7	55%	0.552	64%	0.636	S	S	*	*	H	α-helix	trans	-64.2	-45.3	179.6	-162.3	0	0	0	0	111.7	E331 I336 C337 E338	E331-S334 PolarHBondContact O-N 3.35Å; S334-I336 VanDerWaalsContact C-N 3.29Å; S334-I336 PolarHBondContact O-N 3.4Å; S334-C337 PolarHBondContact O-N 3.37Å; S334-E338 PolarHBondContact O-N 3.04Å; S334-E338 VanDerWaalsContact O-N 3.09Å
335	Q	40.9	Very low	40.4	Very low	145 Å²	145	119.7 Å²	119.7	68%	0.678	64%	0.642	S	S	*	*	H	α-helix	trans	-62.9	-35.1	-178.7	-149.1	97.9	60.4	0	0	112.6	S339	Q335-S339 PolarHBondContact O-N 3.46Å; Q335-S339 PolarHBondContact O-OG 2.89Å
336	I	44.6	Very low	40.9	Very low	108 Å²	108	119.8 Å²	119.8	55%	0.554	64%	0.642	S	S	*	*	H	α-helix	trans	-76.3	-40.1	179.1	-64.2	170.3	0	0	0	110.9	I332 Q333 S334 E338 S339 A340	I332-I336 HydrophobicContact CG2-CD1 3.94Å; I332-I336 WeakPolarHBondContact O-CG1 3.38Å; I332-I336 PolarHBondContact O-N 2.94Å; Q333-I336 PolarHBondContact O-N 3.36Å; S334-I336 VanDerWaalsContact C-N 3.29Å; S334-I336 PolarHBondContact O-N 3.4Å; I336-E338 VanDerWaalsContact C-N 3.32Å; I336-E338 PolarHBondContact O-N 3.14Å; I336-S339 PolarHBondContact O-OG 2.83Å; I336-A340 WeakPolarHBondContact O-CB 3.43Å; I336-A340 PolarHBondContact O-N 3.37Å; I336-A340 VanDerWaalsContact O-N 3.11Å
337	C	39.3	Very low	40.5	Very low	83 Å²	83	119.3 Å²	119.3	56%	0.561	64%	0.641	S	S	*	*	H	α-helix	trans	-69.2	-26	177.4	-77.3	0	0	0	0	114	Q333 S334	Q333-C337 WeakPolarHBondContact O-CB 3.42Å; Q333-C337 PolarHBondContact O-N 2.9Å; Q333-C337 PolarHBondContact O-SG 2.88Å; S334-C337 PolarHBondContact O-N 3.37Å
338	E	40.7	Very low	40.3	Very low	126 Å²	126	123.6 Å²	123.6	59%	0.589	65%	0.649	S	S	*	*	H	α-helix	trans	-81.6	-43.5	178.7	-158.1	164.8	-135.4	0	0	111.7	S334 I336 A340 K341	S334-E338 PolarHBondContact O-N 3.04Å; S334-E338 VanDerWaalsContact O-N 3.09Å; I336-E338 VanDerWaalsContact C-N 3.32Å; I336-E338 PolarHBondContact O-N 3.14Å; E338-A340 PolarHBondContact O-N 2.96Å; E338-K341 PolarHBondContact O-N 3.18Å
339	S	37.9	Very low	39.8	Very low	63 Å²	63	121.1 Å²	121.1	44%	0.441	65%	0.651	S	S	.	*	H	α-helix	trans	-65.4	-35.3	175.1	48.7	0	0	0	0	113.2	Q335 I336 K341 Q342	Q335-S339 PolarHBondContact O-N 3.46Å; Q335-S339 PolarHBondContact O-OG 2.89Å; I336-S339 PolarHBondContact O-OG 2.83Å; S339-K341 PolarHBondContact O-N 3.37Å; S339-Q342 PolarHBondContact O-N 2.93Å
340	A	38.8	Very low	38.6	Very low	53 Å²	53	122.9 Å²	122.9	44%	0.438	66%	0.663	S	S	.	*	H	α-helix	trans	-63.1	-23.6	176.3	0	0	0	0	0	114.3	I336 E338	I336-A340 WeakPolarHBondContact O-CB 3.43Å; I336-A340 PolarHBondContact O-N 3.37Å; I336-A340 VanDerWaalsContact O-N 3.11Å; E338-A340 PolarHBondContact O-N 2.96Å
341	K	39.5	Very low	37.8	Very low	163 Å²	163	126.8 Å²	126.8	71%	0.709	68%	0.679	S	S	*	*	H	α-helix	trans	-79	-35	-179.5	-74.9	179.8	178	178.6	0	113.5	E338 S339 I343	E338-K341 PolarHBondContact O-N 3.18Å; S339-K341 PolarHBondContact O-N 3.37Å; K341-I343 VanDerWaalsContact C-N 3.28Å; K341-I343 PolarHBondContact O-N 3.18Å
342	Q	38.7	Very low	37.1	Very low	149 Å²	149	126.6 Å²	126.6	70%	0.696	69%	0.687	S	S	*	*	H	α-helix	trans	-73.7	-19.9	-177.9	-66	-177.4	-4.4	0	0	113.2	S339	S339-Q342 PolarHBondContact O-N 2.93Å
343	I	39.7	Very low	35.8	Very low	137 Å²	137	132.4 Å²	132.4	70%	0.703	70%	0.703	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.7	-21.2	-177.8	-64.4	172	0	0	0	112.1	K341	K341-I343 VanDerWaalsContact C-N 3.28Å; K341-I343 PolarHBondContact O-N 3.18Å
344	L	35.3	Very low	35.5	Very low	161 Å²	161	131.5 Å²	131.5	84%	0.843	71%	0.709	S	S	*	*	S	Bend	trans	-86.5	-4.7	-177.6	-93.6	164.2	0	0	0	115
345	E	37.2	Very low	34.6	Very low	169 Å²	169	134.7 Å²	134.7	79%	0.79	72%	0.716	S	S	*	*	S	Bend	trans	-108.2	-1	-170.4	-154.8	164	-138.4	0	0	114.2
346	L	36.4	Very low	33.9	Very low	156 Å²	156	132.5 Å²	132.5	82%	0.817	72%	0.716	S	S	*	*	S	Bend	trans	-132.2	47.8	-170.1	-72.6	177.7	0	0	0	116.1
347	S	29.9	Very low	33	Very low	101 Å²	101	132.1 Å²	132.1	71%	0.706	72%	0.723	S	S	*	*			trans	-166.7	111.2	151.8	45.3	0	0	0	0	114.6
348	F	28.1	Very low	32.6	Very low	217 Å²	217	133.1 Å²	133.1	95%	0.952	73%	0.731	S	S	*	*			trans	-171.7	120.6	140.1	-90.4	-56	0	0	0	110.8
349	A	25.6	Very low	31.9	Very low	100 Å²	100	133.7 Å²	133.7	83%	0.826	74%	0.738	S	S	*	*			trans	-159.9	107.7	168.8	0	0	0	0	0	111.2
350	P	31.5	Very low	31.5	Very low	114 Å²	114	136.6 Å²	136.6	74%	0.74	75%	0.754	S	S	*	*			trans	-114.8	122.8	-179.6	35.7	-25	0	0	0	114.5
351	L	29.5	Very low	30.9	Very low	176 Å²	176	138.1 Å²	138.1	92%	0.921	77%	0.766	S	S	*	*			trans	54.3	161.8	146.6	-53.8	179.9	0	0	0	120.5
352	T	27.8	Very low	30.3	Very low	131 Å²	131	138.7 Å²	138.7	80%	0.804	78%	0.776	S	S	*	*			trans	-126	127.1	-163	55.1	0	0	0	0	115.9
353	R	25.4	Very low	29.6	Very low	208 Å²	208	135.4 Å²	135.4	79%	0.785	78%	0.782	S	S	*	*			trans	65.8	164.7	150.9	-87.2	-175.9	148.6	166.3	-9.4	118	E355	R353-E355 IonicContact CZ-OE1 3.17Å; R353-E355 IonicContact NE-OE1 2.76Å; R353-E355 IonicContact NH2-OE1 2.8Å; R353-E355 PolarHBondContact NH2-OE1 3.04Å
354	P	36.5	Very low	29	Very low	122 Å²	122	134 Å²	134	79%	0.792	79%	0.791	S	S	*	*			cis	-116.5	-156.5	7.7	42	-28	0	0	0	115.6
355	E	24.1	Very low	28.6	Very low	147 Å²	147	129.6 Å²	129.6	69%	0.687	78%	0.784	S	S	*	*			trans	-92.6	178.4	-161.1	-45.7	177.3	172.3	0	0	111.3	R353	R353-E355 IonicContact CZ-OE1 3.17Å; R353-E355 IonicContact NE-OE1 2.76Å; R353-E355 IonicContact NH2-OE1 2.8Å; R353-E355 PolarHBondContact NH2-OE1 3.04Å
356	S	25.8	Very low	28.8	Very low	98 Å²	98	128.3 Å²	128.3	69%	0.685	79%	0.791	S	S	*	*			cis	-158.5	155.8	14.4	59.8	0	0	0	0	114.2
357	S	25.5	Very low	28.2	Very low	101 Å²	101	124.1 Å²	124.1	71%	0.706	79%	0.786	S	S	*	*			trans	55.4	120.7	143.6	63.8	0	0	0	0	123.6
358	S	30.6	Very low	29.5	Very low	104 Å²	104	125.4 Å²	125.4	73%	0.727	79%	0.792	S	S	*	*				101.5	119.9	124.6	-90.6	0	0	0	0	123.9
359	D	26.6	Very low	30.4	Very low	138 Å²	138	120.2 Å²	120.2	74%	0.738	78%	0.779	S	S	*	*				104.5	125.8	126.3	-75.5	32.1	0	0	0	123.1
360	T	28.2	Very low	30.7	Very low	124 Å²	124	121.5 Å²	121.5	76%	0.761	78%	0.777	S	S	*	*			trans	55.4	107.7	141.3	-51	0	0	0	0	118.9
361	A	27.2	Very low	30.5	Very low	84 Å²	84	125 Å²	125	69%	0.694	78%	0.775	S	S	*	*			cis	94.6	129.6	37.9	0	0	0	0	0	116.6
362	L	26.8	Very low	30.3	Very low	175 Å²	175	121.1 Å²	121.1	92%	0.916	76%	0.763	S	S	*	*			trans	64.1	100.8	156.3	-62	175.1	0	0	0	120.7
363	G	24.4	Very low	30.2	Very low	81 Å²	81	121.6 Å²	121.6	84%	0.835	76%	0.756	S	S	*	*			trans	-71.9	-162.7	165.3	0	0	0	0	0	117.6
364	A	26.3	Very low	30.3	Very low	106 Å²	106	115.5 Å²	115.5	88%	0.876	75%	0.746	S	S	*	*			trans	-160.6	155.3	172	0	0	0	0	0	111.3
365	G	27.4	Very low	29.8	Very low	69 Å²	69	116.7 Å²	116.7	71%	0.711	74%	0.74	S	S	*	*			trans	-105.7	-159.2	157.8	0	0	0	0	0	110.2
366	P	41	Very low	29.8	Very low	142 Å²	142	117.1 Å²	117.1	92%	0.922	74%	0.74	S	S	*	*			cis	-121.6	-149.1	2.2	40.5	-23.1	0	0	0	112.3
367	G	24.6	Very low	29.7	Very low	69 Å²	69	118.9 Å²	118.9	71%	0.711	74%	0.742	S	S	*	*			trans	-101.9	-121.1	-165.1	0	0	0	0	0	119.6
368	P	55.8	Low	29.6	Very low	128 Å²	128	119.2 Å²	119.2	83%	0.831	74%	0.74	S	S	*	*				-101.4	-166.6	-121.3	42.1	-37.1	0	0	0	113.6
369	P	48.7	Very low	29.3	Very low	107 Å²	107	125.5 Å²	125.5	70%	0.695	75%	0.748	S	S	*	*			cis	-156.7	-170.9	21.5	44.9	-21.3	0	0	0	121.3
370	V	30.4	Very low	29.2	Very low	128 Å²	128	128.8 Å²	128.8	78%	0.776	75%	0.75	S	S	*	*			trans	73.9	147.5	146.9	150.2	0	0	0	0	117.7
371	R	28.3	Very low	29.1	Very low	186 Å²	186	133.9 Å²	133.9	70%	0.702	76%	0.755	S	S	*	*			cis	-147.8	170.2	6.6	-137.2	168.9	168.2	131.8	-3.4	108.3
372	S	25.6	Very low	28.9	Very low	96 Å²	96	134 Å²	134	67%	0.671	75%	0.751	S	S	*	*			cis	-157.9	150.6	37.7	-76	0	0	0	0	110.2
373	Q	25.1	Very low	29	Very low	140 Å²	140	132.9 Å²	132.9	65%	0.654	74%	0.744	S	S	*	*				62.2	135.8	64.5	-60	-165.8	-60.3	0	0	113.9
374	S	27.1	Very low	29.2	Very low	81 Å²	81	134.4 Å²	134.4	57%	0.566	74%	0.737	S	S	*	*			cis	-164.2	151.5	9.2	-141.9	0	0	0	0	113.5
375	E	25.5	Very low	29.3	Very low	146 Å²	146	139.1 Å²	139.1	68%	0.682	73%	0.732	S	S	*	*			trans	57.4	170.4	138.3	-70.2	175.3	144.6	0	0	121
376	K	24.9	Very low	29.3	Very low	156 Å²	156	141 Å²	141	68%	0.678	73%	0.726	S	S	*	*			cis	-154.3	178.1	2.9	-134.4	153.1	-163.1	146.8	0	114.3
377	D	24	Very low	28.8	Very low	135 Å²	135	138.4 Å²	138.4	72%	0.722	71%	0.711	S	S	*	*			trans	-66.4	174.1	-171.3	-60.9	-97.3	0	0	0	121.3
378	T	24.1	Very low	28.9	Very low	109 Å²	109	143.7 Å²	143.7	67%	0.669	72%	0.715	S	S	*	*			trans	94.2	123.9	143.8	1.1	0	0	0	0	120.9
379	W	23.3	Very low	27.8	Very low	236 Å²	236	148.6 Å²	148.6	89%	0.894	72%	0.717	S	S	*	*				-160.6	-173.4	107.1	-94.1	107.8	0	0	0	110.3
380	R	25.7	Very low	26.8	Very low	207 Å²	207	152.8 Å²	152.8	78%	0.781	72%	0.724	S	S	*	*			trans	-140	159.1	-152.6	-134.1	-161.5	-56.5	-136.5	6.1	116.2
381	R	24.8	Very low	26.6	Very low	231 Å²	231	150.4 Å²	150.4	87%	0.872	72%	0.718	S	S	*	*			trans	75.7	151.5	169.8	-71.5	177.8	166.5	162.8	-5.5	115.6
382	S	23.6	Very low	26.5	Very low	87 Å²	87	147.7 Å²	147.7	61%	0.608	72%	0.722	S	S	*	*			cis	-157.3	154.2	8.3	-133.1	0	0	0	0	114.4
383	I	28.2	Very low	26.6	Very low	151 Å²	151	147.7 Å²	147.7	77%	0.774	72%	0.722	S	S	*	*			trans	42.6	132.1	130.7	-70.9	175.6	0	0	0	119.1
384	V	28	Very low	26.9	Very low	112 Å²	112	147.7 Å²	147.7	68%	0.679	73%	0.731	S	S	*	*			cis	-161.9	137.1	8.6	104.5	0	0	0	0	110.1
385	R	29.6	Very low	27.5	Very low	206 Å²	206	150 Å²	150	78%	0.777	75%	0.745	S	S	*	*				60.5	152.2	105.1	-82.4	-174	-171.9	-169.1	5.6	118.4
386	D	26.4	Very low	27.6	Very low	109 Å²	109	147.4 Å²	147.4	58%	0.583	75%	0.748	S	S	*	*			cis	-137.4	145.8	10.8	-101.4	-50.5	0	0	0	110.9
387	S	30.8	Very low	27.7	Very low	87 Å²	87	147.1 Å²	147.1	61%	0.608	75%	0.753	S	S	*	*				73.8	140.7	74.9	-48.9	0	0	0	0	114.3
388	F	26.9	Very low	27.9	Very low	180 Å²	180	148.1 Å²	148.1	79%	0.789	75%	0.753	S	S	*	*			cis	-137.8	160	20	-81.6	-106.4	0	0	0	110.6
389	R	32.2	Very low	27.9	Very low	231 Å²	231	148.2 Å²	148.2	87%	0.872	76%	0.758	S	S	*	*				64.3	142.9	54.3	-69.2	-171.4	179.6	-157.3	2.8	116.9
390	K	28.6	Very low	27.9	Very low	195 Å²	195	147 Å²	147	85%	0.848	75%	0.753	S	S	*	*			cis	-172.1	122.5	-28.8	-170.8	-178.5	179.6	-174.2	0	112.6
391	A	26.9	Very low	27.9	Very low	78 Å²	78	144.5 Å²	144.5	65%	0.645	75%	0.75	S	S	*	*			trans	52.1	148	147.4	0	0	0	0	0	127.1
392	T	25.3	Very low	28	Very low	128 Å²	128	144.9 Å²	144.9	79%	0.785	75%	0.752	S	S	*	*			trans	74	89.8	141.7	42	0	0	0	0	125.4
393	S	27.8	Very low	28.9	Very low	97 Å²	97	146.1 Å²	146.1	68%	0.678	76%	0.758	S	S	*	*				61.7	122.6	106	70.4	0	0	0	0	126.6
394	V	31.4	Very low	28.9	Very low	140 Å²	140	143.8 Å²	143.8	85%	0.848	76%	0.761	S	S	*	*			trans	58.2	160.9	152.7	-77.6	0	0	0	0	121.3
395	P	39.6	Very low	29	Very low	130 Å²	130	145.9 Å²	145.9	84%	0.844	77%	0.769	S	S	*	*			cis	-123.1	-157.5	2.4	41.6	-24.7	0	0	0	114.9
396	A	27.3	Very low	29	Very low	90 Å²	90	147.6 Å²	147.6	74%	0.744	78%	0.775	S	S	*	*			trans	-126.6	166	-168.5	0	0	0	0	0	115.1
397	L	28.3	Very low	29.5	Very low	150 Å²	150	148 Å²	148	79%	0.785	78%	0.784	S	S	*	*			trans	174	147.1	131.5	-93.3	173	0	0	0	115.6
398	H	27.7	Very low	30.4	Very low	157 Å²	157	149.8 Å²	149.8	73%	0.727	79%	0.793	S	S	*	*			trans	63	126.8	152.4	-71.8	-51.7	0	0	0	126.1
399	S	23.1	Very low	30.5	Very low	111 Å²	111	148.4 Å²	148.4	78%	0.776	79%	0.794	S	S	*	*			trans	74.9	151.3	142.9	-59.4	0	0	0	0	118.9
400	R	24.2	Very low	30.6	Very low	211 Å²	211	145.5 Å²	145.5	80%	0.796	79%	0.79	S	S	*	*			cis	-155.5	166.5	18.8	-153.4	-178.5	119.8	148.1	-6.1	112.8
401	E	25.9	Very low	31	Very low	154 Å²	154	142.2 Å²	142.2	72%	0.72	79%	0.789	S	S	*	*			trans	93.4	170.6	158.4	-48.4	-143.6	139.2	0	0	121.4
402	R	25.6	Very low	31.5	Very low	238 Å²	238	144.6 Å²	144.6	90%	0.898	79%	0.791	S	S	*	*			trans	-161.2	-177.2	-150.1	-126.9	-173.2	-176.2	173.9	1.8	107.8
403	P	42.7	Very low	32.4	Very low	114 Å²	114	143.6 Å²	143.6	74%	0.74	79%	0.787	S	S	*	*			cis	-130.6	-178	-23.1	42	-27	0	0	0	113.3
404	A	28.5	Very low	32.9	Very low	102 Å²	102	144 Å²	144	84%	0.843	78%	0.781	S	S	*	*			trans	-173.7	155.6	143.3	0	0	0	0	0	113
405	D	29.3	Very low	33.4	Very low	156 Å²	156	142.7 Å²	142.7	83%	0.834	77%	0.773	S	S	*	*			trans	-75.4	148.2	-171	-57.6	-57.4	0	0	0	116.9
406	R	30.7	Very low	33.4	Very low	241 Å²	241	142.7 Å²	142.7	91%	0.909	77%	0.766	S	S	*	*				-175.9	162.6	103.7	-97.5	178.5	-170.6	-176.1	4.8	114.1
407	P	37.2	Very low	34	Very low	118 Å²	118	143.3 Å²	143.3	77%	0.766	75%	0.753	S	S	*	*			trans	-89	170.9	-171.8	36.9	-36.7	0	0	0	114.4
408	P	49	Very low	34.6	Very low	124 Å²	124	141.4 Å²	141.4	81%	0.805	75%	0.747	S	S	*	*			trans	-100.9	165.3	-163	39.5	-36.2	0	0	0	115.1
409	D	29.6	Very low	35.4	Very low	152 Å²	152	140.2 Å²	140.2	81%	0.813	75%	0.745	S	S	*	*			trans	-156	149.7	152	-135.1	-30.1	0	0	0	112.3
410	Q	33.7	Very low	36.4	Very low	169 Å²	169	137.7 Å²	137.7	79%	0.79	73%	0.725	S	S	*	*			trans	57.8	147.4	173.7	-59.3	-172.2	-10.9	0	0	120.5
411	P	36.8	Very low	37.5	Very low	126 Å²	126	131.5 Å²	131.5	82%	0.818	71%	0.708	S	S	*	*			trans	-93.2	132.9	166.1	34.9	-30.2	0	0	0	112.2
412	D	37.8	Very low	38.8	Very low	128 Å²	128	126.4 Å²	126.4	68%	0.684	70%	0.697	S	S	*	*			trans	-70.9	148.8	-176.8	-56.5	-73.6	0	0	0	114.3	D414	D412-D414 VanDerWaalsContact C-N 3.26Å; D412-D414 PolarHBondContact O-N 2.95Å
413	P	43.2	Very low	40.2	Very low	108 Å²	108	120.1 Å²	120.1	70%	0.701	68%	0.681	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.9	-15.4	175.5	30.6	-35.8	0	0	0	114.1	V415 L416	P413-V415 PolarHBondContact O-N 2.87Å; P413-L416 PolarHBondContact O-N 2.85Å; P413-L416 VanDerWaalsContact O-N 3.14Å
414	D	39.8	Very low	41.1	Very low	106 Å²	106	119.1 Å²	119.1	57%	0.567	67%	0.665	S	S	*	*	H	α-helix	trans	-58	-24.5	-171.6	-80.5	22.9	0	0	0	114.8	D412 L416 E417 V418	D412-D414 VanDerWaalsContact C-N 3.26Å; D412-D414 PolarHBondContact O-N 2.95Å; D414-L416 PolarHBondContact O-N 3.09Å; D414-L416 VanDerWaalsContact O-N 3.14Å; D414-E417 PolarHBondContact O-N 2.96Å; D414-V418 PolarHBondContact O-N 2.88Å; D414-V418 VanDerWaalsContact O-N 3.1Å
415	V	41.1	Very low	43.1	Very low	111 Å²	111	117.7 Å²	117.7	67%	0.673	65%	0.647	S	S	*	*	H	α-helix	trans	-60.5	-25.7	179.3	-173.6	0	0	0	0	112	P413	P413-V415 PolarHBondContact O-N 2.87Å
416	L	40.3	Very low	45.6	Very low	131 Å²	131	114 Å²	114	69%	0.686	63%	0.627	S	S	*	*	H	α-helix	trans	-83.9	-28.9	174.4	-169.2	61.8	0	0	0	113	P413 D414 T420	P413-L416 PolarHBondContact O-N 2.85Å; P413-L416 VanDerWaalsContact O-N 3.14Å; D414-L416 PolarHBondContact O-N 3.09Å; D414-L416 VanDerWaalsContact O-N 3.14Å; L416-T420 WeakPolarHBondContact O-CG2 3.34Å; L416-T420 PolarHBondContact O-N 2.9Å; L416-T420 PolarHBondContact O-OG1 3.1Å
417	E	39.2	Very low	48.3	Very low	103 Å²	103	105.3 Å²	105.3	48%	0.481	60%	0.598	S	S	.	*	H	α-helix	trans	-80.5	-34.6	-179.1	-162.5	167.4	-164.3	0	0	112.9	D414 L419 T420 N421 K424	D414-E417 PolarHBondContact O-N 2.96Å; E417-L419 PolarHBondContact O-N 3.29Å; E417-T420 PolarHBondContact O-N 3.32Å; E417-T420 VanDerWaalsContact O-N 3.1Å; E417-T420 PolarHBondContact O-OG1 2.93Å; E417-T420 VanDerWaalsContact O-OG1 3.13Å; E417-N421 PolarHBondContact O-N 3.38Å; E417-N421 PolarHBondContact O-ND2 2.86Å; E417-K424 IonicContact OE1-NZ 2.8Å; E417-K424 PolarHBondContact OE1-NZ 3.31Å; E417-K424 VanDerWaalsContact OE1-NZ 3.08Å
418	V	40.3	Very low	50.8	Low	110 Å²	110	104.6 Å²	104.6	67%	0.667	59%	0.585	S	S	*	*	H	α-helix	trans	-58.5	-37.4	174.7	176.2	0	0	0	0	111.7	D414	D414-V418 PolarHBondContact O-N 2.88Å; D414-V418 VanDerWaalsContact O-N 3.1Å
419	L	45.7	Very low	52.8	Low	131 Å²	131	100.6 Å²	100.6	69%	0.686	56%	0.562	S	S	*	*	H	α-helix	trans	-75.6	-26	177.1	-68.1	175.8	0	0	0	113.9	E417	E417-L419 PolarHBondContact O-N 3.29Å
420	T	43	Very low	55.8	Low	58 Å²	58	93.3 Å²	93.3	36%	0.356	52%	0.524	S	S	.	.	H	α-helix	trans	-87.9	-24.7	178.8	55.9	0	0	0	0	113.3	L416 E417 G422 L423 K424	L416-T420 WeakPolarHBondContact O-CG2 3.34Å; L416-T420 PolarHBondContact O-N 2.9Å; L416-T420 PolarHBondContact O-OG1 3.1Å; E417-T420 PolarHBondContact O-N 3.32Å; E417-T420 VanDerWaalsContact O-N 3.1Å; E417-T420 PolarHBondContact O-OG1 2.93Å; E417-T420 VanDerWaalsContact O-OG1 3.13Å; T420-G422 VanDerWaalsContact C-N 3.25Å; T420-G422 PolarHBondContact O-N 2.87Å; T420-L423 PolarHBondContact O-N 3.29Å; T420-K424 PolarHBondContact O-N 3.46Å
421	N	48.3	Very low	58.6	Low	82 Å²	82	91 Å²	91	44%	0.439	51%	0.508	S	S	.	.	H	α-helix	trans	-65.5	-23.7	177.1	-81.7	-28.7	0	0	0	114	E417 K424 P425	E417-N421 PolarHBondContact O-N 3.38Å; E417-N421 PolarHBondContact O-ND2 2.86Å; N421-K424 WeakPolarHBondContact OD1-CD 3.08Å; N421-K424 WeakPolarHBondContact OD1-CE 3.37Å; N421-K424 PolarHBondContact OD1-NZ 3.49Å; N421-P425 WeakPolarHBondContact O-CD 3.18Å
422	G	52	Low	61.3	Low	47 Å²	47	92.9 Å²	92.9	49%	0.485	50%	0.498	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-32.1	172.6	0	0	0	0	0	114.2	T420 P425	T420-G422 VanDerWaalsContact C-N 3.25Å; T420-G422 PolarHBondContact O-N 2.87Å; G422-P425 WeakPolarHBondContact O-CD 3.39Å; G422-P425 WeakPolarHBondContact O-CG 3.43Å
423	L	56.3	Low	63.9	Low	106 Å²	106	88.3 Å²	88.3	56%	0.555	47%	0.474	S	S	*	.	H	α-helix	trans	-84.2	-26.1	-177.3	-67.4	168.2	0	0	0	113.3	T420 D426 L427	T420-L423 PolarHBondContact O-N 3.29Å; L423-D426 PolarHBondContact O-N 3.46Å; L423-L427 WeakPolarHBondContact O-CB 3.37Å; L423-L427 PolarHBondContact O-N 3.29Å
424	K	62.2	Low	66.3	Low	92 Å²	92	83.1 Å²	83.1	40%	0.4	44%	0.44	S	S	.	.	H	α-helix	trans	-55.8	-47	177.8	-68	173	-165.7	170.2	0	113.8	E417 T420 N421 Q428	E417-K424 IonicContact OE1-NZ 2.8Å; E417-K424 PolarHBondContact OE1-NZ 3.31Å; E417-K424 VanDerWaalsContact OE1-NZ 3.08Å; T420-K424 PolarHBondContact O-N 3.46Å; N421-K424 WeakPolarHBondContact OD1-CD 3.08Å; N421-K424 WeakPolarHBondContact OD1-CE 3.37Å; N421-K424 PolarHBondContact OD1-NZ 3.49Å; K424-Q428 WeakPolarHBondContact O-CG 3.34Å; K424-Q428 PolarHBondContact O-N 2.98Å
425	P	69.6	Low	68.9	Low	73 Å²	73	85 Å²	85	47%	0.474	44%	0.443	S	S	.	.	H	α-helix	trans	-68	-41	177.4	25.9	-34.9	0	0	0	112.9	N421 G422 L427 Q428 A429	N421-P425 WeakPolarHBondContact O-CD 3.18Å; G422-P425 WeakPolarHBondContact O-CD 3.39Å; G422-P425 WeakPolarHBondContact O-CG 3.43Å; P425-L427 PolarHBondContact O-N 2.92Å; P425-Q428 PolarHBondContact O-N 3.06Å; P425-Q428 VanDerWaalsContact O-N 3.16Å; P425-A429 PolarHBondContact O-N 3.19Å
426	D	82.1	Confident	71.4	Confident	78 Å²	78	84.6 Å²	84.6	42%	0.417	43%	0.429	S	S	.	.	H	α-helix	trans	-66	-39.1	-179.7	-74.7	-5.3	0	0	0	111.8	L423 Q428 A429 A430 M461	L423-D426 PolarHBondContact O-N 3.46Å; D426-Q428 VanDerWaalsContact C-N 3.34Å; D426-Q428 PolarHBondContact O-N 2.87Å; D426-A429 PolarHBondContact O-N 3Å; D426-A430 VanDerWaalsContact O-CB 3.29Å; D426-A430 WeakPolarHBondContact O-CB 3.47Å; D426-A430 PolarHBondContact O-N 3.29Å; D426-M461 HydrophobicContact CB-CE 4.03Å
427	L	87.1	Confident	73.9	Confident	58 Å²	58	78.3 Å²	78.3	30%	0.304	40%	0.397	S	S	.	.	H	α-helix	trans	-63.3	-38.2	172.5	-172.4	66.1	0	0	0	112	L423 P425 A430 R431 M461 E465	L423-L427 WeakPolarHBondContact O-CB 3.37Å; L423-L427 PolarHBondContact O-N 3.29Å; P425-L427 PolarHBondContact O-N 2.92Å; L427-A430 PolarHBondContact O-N 3.41Å; L427-R431 WeakPolarHBondContact O-CB 3.48Å; L427-R431 WeakPolarHBondContact O-CG 3.26Å; L427-R431 PolarHBondContact O-N 2.87Å; L427-M461 HydrophobicContact CD1-SD 4.24Å; L427-E465 HydrophobicContact CD1-CG 4.4Å; L427-E465 WeakPolarHBondContact CD1-OE1 3.44Å
428	Q	89.4	Confident	76.4	Confident	103 Å²	103	76.8 Å²	76.8	48%	0.481	39%	0.387	S	S	.	.	H	α-helix	trans	-68.9	-36.6	174	-72.9	-169.8	30.6	0	0	112.7	K424 P425 D426 R432	K424-Q428 WeakPolarHBondContact O-CG 3.34Å; K424-Q428 PolarHBondContact O-N 2.98Å; P425-Q428 PolarHBondContact O-N 3.06Å; P425-Q428 VanDerWaalsContact O-N 3.16Å; D426-Q428 VanDerWaalsContact C-N 3.34Å; D426-Q428 PolarHBondContact O-N 2.87Å; Q428-R432 WeakPolarHBondContact O-CD 3.1Å; Q428-R432 VanDerWaalsContact O-CG 3.22Å; Q428-R432 WeakPolarHBondContact O-CG 3.3Å; Q428-R432 PolarHBondContact O-N 2.93Å; Q428-R432 VanDerWaalsContact O-N 3.07Å; Q428-R432 VanDerWaalsContact OE1-NH2 3.08Å
429	A	90.8	Very high	78.8	Confident	40 Å²	40	74.6 Å²	74.6	33%	0.331	38%	0.381	S	S	.	.	H	α-helix	trans	-67.3	-42.1	173.9	0	0	0	0	0	111.2	P425 D426 R432 L433 F458	P425-A429 PolarHBondContact O-N 3.19Å; D426-A429 PolarHBondContact O-N 3Å; A429-R432 PolarHBondContact O-N 2.93Å; A429-L433 PolarHBondContact O-N 3.17Å; A429-F458 HydrophobicContact CB-CE2 3.97Å; A429-F458 HydrophobicContact CB-CZ 4.28Å
430	A	92.3	Very high	80.8	Confident	0 Å²	0	71 Å²	71	0%	0	36%	0.361	C	S	.	.	H	α-helix	trans	-59.3	-47.6	174.3	0	0	0	0	0	111.4	D426 L427 R432 L433 A434 F458 M461 V462	D426-A430 VanDerWaalsContact O-CB 3.29Å; D426-A430 WeakPolarHBondContact O-CB 3.47Å; D426-A430 PolarHBondContact O-N 3.29Å; L427-A430 PolarHBondContact O-N 3.41Å; A430-R432 PolarHBondContact O-N 2.52Å; A430-L433 PolarHBondContact O-N 3.37Å; A430-A434 WeakPolarHBondContact O-CB 3.42Å; A430-A434 PolarHBondContact O-N 2.88Å; A430-F458 HydrophobicContact CB-CD2 4.49Å; A430-F458 HydrophobicContact CB-CE2 4Å; A430-F458 HydrophobicContact CB-CZ 4.45Å; A430-M461 HydrophobicContact CB-CB 3.88Å; A430-V462 HydrophobicContact CB-CG2 3.77Å
431	R	93.4	Very high	83	Confident	121 Å²	121	72.3 Å²	72.3	46%	0.457	37%	0.366	S	S	.	.	H	α-helix	trans	-55.1	-45.9	172.5	-84.9	175.8	178.1	159.4	15.9	113.7	L427 K435 E465	L427-R431 WeakPolarHBondContact O-CB 3.48Å; L427-R431 WeakPolarHBondContact O-CG 3.26Å; L427-R431 PolarHBondContact O-N 2.87Å; R431-K435 WeakPolarHBondContact O-CB 3.47Å; R431-K435 PolarHBondContact O-N 3.45Å; R431-E465 HydrophobicContact CG-CB 4.36Å; R431-E465 HydrophobicContact CG-CG 3.89Å; R431-E465 WeakPolarHBondContact CG-OE2 3.5Å; R431-E465 IonicContact CZ-OE1 3.82Å; R431-E465 IonicContact CZ-OE2 2.65Å; R431-E465 IonicContact NE-OE1 3.7Å; R431-E465 PolarHBondContact NE-OE1 2.81Å; R431-E465 IonicContact NE-OE2 2.62Å; R431-E465 PolarHBondContact NE-OE2 2.84Å; R431-E465 IonicContact NH2-OE1 2.74Å; R431-E465 PolarHBondContact NH2-OE1 2.9Å; R431-E465 IonicContact NH2-OE2 2.81Å
432	R	93.3	Very high	84.8	Confident	164 Å²	164	71.7 Å²	71.7	62%	0.619	38%	0.38	S	S	*	.	H	α-helix	trans	-65	-42.8	179	-70.1	167.1	-163.2	-179.5	8.4	111	Q428 A429 A430 R436	Q428-R432 WeakPolarHBondContact O-CD 3.1Å; Q428-R432 VanDerWaalsContact O-CG 3.22Å; Q428-R432 WeakPolarHBondContact O-CG 3.3Å; Q428-R432 PolarHBondContact O-N 2.93Å; Q428-R432 VanDerWaalsContact O-N 3.07Å; Q428-R432 VanDerWaalsContact OE1-NH2 3.08Å; A429-R432 PolarHBondContact O-N 2.93Å; A430-R432 PolarHBondContact O-N 2.52Å; R432-R436 WeakPolarHBondContact O-CG 3.5Å; R432-R436 PolarHBondContact O-N 2.83Å
433	L	92.8	Very high	86.5	Confident	32 Å²	32	71.3 Å²	71.3	17%	0.168	37%	0.365	C	S	.	.	H	α-helix	trans	-68.1	-48.4	177.3	-178.9	57.2	0	0	0	111.7	A429 A430 K435 R436 L437 F443 F458 V462	A429-L433 PolarHBondContact O-N 3.17Å; A430-L433 PolarHBondContact O-N 3.37Å; L433-K435 VanDerWaalsContact C-N 3.34Å; L433-K435 PolarHBondContact O-N 3.35Å; L433-R436 PolarHBondContact O-N 3.23Å; L433-R436 VanDerWaalsContact O-N 3.09Å; L433-L437 HydrophobicContact CD1-CD1 4.07Å; L433-L437 HydrophobicContact CD1-CD2 4.38Å; L433-L437 HydrophobicContact CD1-CG 3.96Å; L433-L437 HydrophobicContact CG-CD1 3.84Å; L433-L437 HydrophobicContact CG-CG 4.21Å; L433-L437 WeakPolarHBondContact O-CG 3.32Å; L433-L437 PolarHBondContact O-N 3.14Å; L433-F443 HydrophobicContact CD1-CE2 4.09Å; L433-F443 HydrophobicContact CD1-CZ 3.69Å; L433-F458 HydrophobicContact CD2-CE1 3.9Å; L433-F458 HydrophobicContact CD2-CZ 4.35Å; L433-V462 HydrophobicContact CB-CG2 4.41Å; L433-V462 HydrophobicContact CD2-CG1 4.23Å; L433-V462 HydrophobicContact CD2-CG2 3.93Å; L433-V462 HydrophobicContact CG-CG1 4.26Å; L433-V462 HydrophobicContact CG-CG2 4.44Å
434	A	93.9	Very high	87.9	Confident	0 Å²	0	74.2 Å²	74.2	0%	0	37%	0.368	C	S	.	.	H	α-helix	trans	-52.5	-48.5	175.7	0	0	0	0	0	112.4	A430 R436 L437 Y438 E465	A430-A434 WeakPolarHBondContact O-CB 3.42Å; A430-A434 PolarHBondContact O-N 2.88Å; A434-R436 PolarHBondContact O-N 3Å; A434-L437 PolarHBondContact O-N 2.94Å; A434-Y438 WeakPolarHBondContact O-CB 3.37Å; A434-Y438 PolarHBondContact O-N 2.69Å; A434-E465 HydrophobicContact CB-CB 3.75Å
435	K	94.1	Very high	89	Confident	144 Å²	144	73 Å²	73	63%	0.626	36%	0.363	S	S	*	.	H	α-helix	trans	-61.8	-40.8	176.8	-174.4	176	179.1	179.5	0	112.5	R431 L433 Y438 A439 H469	R431-K435 WeakPolarHBondContact O-CB 3.47Å; R431-K435 PolarHBondContact O-N 3.45Å; L433-K435 VanDerWaalsContact C-N 3.34Å; L433-K435 PolarHBondContact O-N 3.35Å; K435-Y438 PolarHBondContact O-N 2.92Å; K435-A439 VanDerWaalsContact O-CB 3.28Å; K435-A439 WeakPolarHBondContact O-CB 3.45Å; K435-A439 PolarHBondContact O-N 3.28Å; K435-H469 WeakPolarHBondContact CA-NE2 3.21Å
436	R	93.9	Very high	89.6	Confident	103 Å²	103	70.8 Å²	70.8	39%	0.389	35%	0.349	S	S	.	.	H	α-helix	trans	-68.5	-43.2	177.3	-71	-176.2	65.1	-133.3	-14	112.3	R432 L433 A434 Y438 A439 L440 D441 F443	R432-R436 WeakPolarHBondContact O-CG 3.5Å; R432-R436 PolarHBondContact O-N 2.83Å; L433-R436 PolarHBondContact O-N 3.23Å; L433-R436 VanDerWaalsContact O-N 3.09Å; A434-R436 PolarHBondContact O-N 3Å; R436-Y438 VanDerWaalsContact C-N 3.33Å; R436-Y438 PolarHBondContact O-N 3.17Å; R436-A439 CarbonylContact O-C 3.41Å; R436-A439 PolarHBondContact O-N 3.11Å; R436-L440 WeakPolarHBondContact O-CA 3.26Å; R436-L440 PolarHBondContact O-N 3.43Å; R436-D441 HydrophobicContact CB-CB 4.16Å; R436-D441 WeakPolarHBondContact CD-OD2 3.34Å; R436-D441 HydrophobicContact CG-CB 4.22Å; R436-D441 VanDerWaalsContact CG-OD2 3.31Å; R436-D441 WeakPolarHBondContact CG-OD2 3.1Å; R436-D441 IonicContact CZ-OD2 2.77Å; R436-D441 PolarHBondContact NE-O 2.84Å; R436-D441 IonicContact NE-OD2 3.5Å; R436-D441 PolarHBondContact NE-OD2 3.39Å; R436-D441 PolarHBondContact NH2-O 2.9Å; R436-D441 IonicContact NH2-OD2 2.71Å; R436-D441 PolarHBondContact O-N 3.24Å; R436-F443 HydrophobicContact CB-CD2 4.41Å; R436-F443 HydrophobicContact CB-CE2 4.06Å
437	L	92.3	Very high	89.8	Confident	0 Å²	0	69 Å²	69	0%	0	34%	0.34	C	S	.	.	H	α-helix	trans	-61.3	-40.8	174.1	-68.2	171.7	0	0	0	111.5	L433 A434 L440 F443 V448 H451 V462 Y466	L433-L437 HydrophobicContact CD1-CD1 4.07Å; L433-L437 HydrophobicContact CD1-CD2 4.38Å; L433-L437 HydrophobicContact CD1-CG 3.96Å; L433-L437 HydrophobicContact CG-CD1 3.84Å; L433-L437 HydrophobicContact CG-CG 4.21Å; L433-L437 WeakPolarHBondContact O-CG 3.32Å; L433-L437 PolarHBondContact O-N 3.14Å; A434-L437 PolarHBondContact O-N 2.94Å; L437-L440 PolarHBondContact O-N 2.98Å; L437-F443 HydrophobicContact CD2-CB 4.33Å; L437-F443 HydrophobicContact CD2-CD1 3.7Å; L437-F443 HydrophobicContact CD2-CD2 3.9Å; L437-F443 HydrophobicContact CD2-CE1 3.84Å; L437-F443 HydrophobicContact CD2-CE2 4.03Å; L437-F443 HydrophobicContact CD2-CG 3.73Å; L437-F443 HydrophobicContact CD2-CZ 4Å; L437-V448 HydrophobicContact CB-CG1 4.45Å; L437-V448 HydrophobicContact CB-CG2 4.36Å; L437-V448 HydrophobicContact CD2-CG2 4.12Å; L437-H451 HydrophobicContact CD1-CB 3.64Å; L437-H451 HydrophobicContact CD2-CB 4.25Å; L437-V462 HydrophobicContact CD1-CG1 3.86Å; L437-Y466 HydrophobicContact CB-CD2 3.92Å; L437-Y466 HydrophobicContact CB-CE2 3.98Å
438	Y	91.4	Very high	89.9	Confident	71 Å²	71	66.2 Å²	66.2	28%	0.278	33%	0.325	S	S	.	.	H	α-helix	trans	-69.3	-38.3	177.4	-174.4	-86.4	0	0	0	112.2	A434 K435 R436 L440 Y466 H469 F470 R487	A434-Y438 WeakPolarHBondContact O-CB 3.37Å; A434-Y438 PolarHBondContact O-N 2.69Å; K435-Y438 PolarHBondContact O-N 2.92Å; R436-Y438 VanDerWaalsContact C-N 3.33Å; R436-Y438 PolarHBondContact O-N 3.17Å; Y438-L440 VanDerWaalsContact C-N 3.28Å; Y438-L440 PolarHBondContact O-N 2.79Å; Y438-Y466 HydrophobicContact CD2-CE2 4.27Å; Y438-H469 HydrophobicContact CD1-CB 4.09Å; Y438-H469 HydrophobicContact CD2-CB 3.44Å; Y438-H469 VanDerWaalsContact CD2-CB 3.44Å; Y438-H469 HydrophobicContact CE1-CB 4.17Å; Y438-H469 HydrophobicContact CE2-CB 3.51Å; Y438-H469 HydrophobicContact CG-CB 3.73Å; Y438-H469 AromaticContact CG-CD2 3.8Å; Y438-H469 PolarHBondContact OH-O 3.49Å; Y438-F470 HydrophobicContact CD2-CD2 4.26Å; Y438-F470 AromaticContact CD2-CE2 3.67Å; Y438-F470 HydrophobicContact CD2-CE2 3.67Å; Y438-F470 HydrophobicContact CD2-CZ 4.09Å; Y438-F470 AromaticContact CE2-CD2 3.87Å; Y438-F470 HydrophobicContact CE2-CD2 3.87Å; Y438-F470 HydrophobicContact CE2-CE1 4.22Å; Y438-F470 AromaticContact CE2-CE2 3.53Å; Y438-F470 HydrophobicContact CE2-CE2 3.53Å; Y438-F470 HydrophobicContact CE2-CG 4.39Å; Y438-F470 AromaticContact CE2-CZ 3.74Å; Y438-F470 HydrophobicContact CE2-CZ 3.74Å; Y438-R487 PolarHBondContact O-NH2 3.37Å
439	A	91	Very high	89.8	Confident	64 Å²	64	61.4 Å²	61.4	53%	0.529	30%	0.303	S	S	.	.	H	α-helix	trans	-75.2	-12.8	175.3	0	0	0	0	0	114.1	K435 R436 D441	K435-A439 VanDerWaalsContact O-CB 3.28Å; K435-A439 WeakPolarHBondContact O-CB 3.45Å; K435-A439 PolarHBondContact O-N 3.28Å; R436-A439 CarbonylContact O-C 3.41Å; R436-A439 PolarHBondContact O-N 3.11Å; A439-D441 HydrophobicContact CB-CB 4.23Å; A439-D441 PolarHBondContact O-N 3.38Å
440	L	88.5	Confident	89.6	Confident	54 Å²	54	62 Å²	62	28%	0.283	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.5	30.4	-166.5	-60	174.9	0	0	0	113	R436 L437 Y438 G442 F443 K445 V448	R436-L440 WeakPolarHBondContact O-CA 3.26Å; R436-L440 PolarHBondContact O-N 3.43Å; L437-L440 PolarHBondContact O-N 2.98Å; Y438-L440 VanDerWaalsContact C-N 3.28Å; Y438-L440 PolarHBondContact O-N 2.79Å; L440-G442 PolarHBondContact O-N 2.71Å; L440-F443 WeakPolarHBondContact CB-O 3.26Å; L440-F443 PolarHBondContact O-N 3.23Å; L440-K445 HydrophobicContact CD1-CG 4.16Å; L440-V448 HydrophobicContact CD2-CG2 3.83Å
441	D	88.6	Confident	89.5	Confident	86 Å²	86	64.8 Å²	64.8	46%	0.46	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.6	90.5	-179.5	171.5	47.7	0	0	0	111	R436 A439 F443	R436-D441 HydrophobicContact CB-CB 4.16Å; R436-D441 WeakPolarHBondContact CD-OD2 3.34Å; R436-D441 HydrophobicContact CG-CB 4.22Å; R436-D441 VanDerWaalsContact CG-OD2 3.31Å; R436-D441 WeakPolarHBondContact CG-OD2 3.1Å; R436-D441 IonicContact CZ-OD2 2.77Å; R436-D441 PolarHBondContact NE-O 2.84Å; R436-D441 IonicContact NE-OD2 3.5Å; R436-D441 PolarHBondContact NE-OD2 3.39Å; R436-D441 PolarHBondContact NH2-O 2.9Å; R436-D441 IonicContact NH2-OD2 2.71Å; R436-D441 PolarHBondContact O-N 3.24Å; A439-D441 HydrophobicContact CB-CB 4.23Å; A439-D441 PolarHBondContact O-N 3.38Å; D441-F443 VanDerWaalsContact O-CD2 3.32Å; D441-F443 WeakPolarHBondContact O-CD2 3.49Å
442	G	85.9	Confident	89.3	Confident	70 Å²	70	59.2 Å²	59.2	72%	0.722	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.2	22.3	-175	0	0	0	0	0	114.3	L440	L440-G442 PolarHBondContact O-N 2.71Å
443	F	87.6	Confident	89	Confident	38 Å²	38	51.5 Å²	51.5	17%	0.167	27%	0.267	C	S	.	.			trans	-136.1	143.1	178	-67.4	-83.8	0	0	0	110.8	L433 R436 L437 L440 D441 D447 H451	L433-F443 HydrophobicContact CD1-CE2 4.09Å; L433-F443 HydrophobicContact CD1-CZ 3.69Å; R436-F443 HydrophobicContact CB-CD2 4.41Å; R436-F443 HydrophobicContact CB-CE2 4.06Å; L437-F443 HydrophobicContact CD2-CB 4.33Å; L437-F443 HydrophobicContact CD2-CD1 3.7Å; L437-F443 HydrophobicContact CD2-CD2 3.9Å; L437-F443 HydrophobicContact CD2-CE1 3.84Å; L437-F443 HydrophobicContact CD2-CE2 4.03Å; L437-F443 HydrophobicContact CD2-CG 3.73Å; L437-F443 HydrophobicContact CD2-CZ 4Å; L440-F443 WeakPolarHBondContact CB-O 3.26Å; L440-F443 PolarHBondContact O-N 3.23Å; D441-F443 VanDerWaalsContact O-CD2 3.32Å; D441-F443 WeakPolarHBondContact O-CD2 3.49Å; F443-D447 HydrophobicContact CD1-CB 4.34Å; F443-H451 AromaticContact CE1-NE2 3.7Å
444	R	85.7	Confident	88.7	Confident	168 Å²	168	54.7 Å²	54.7	63%	0.634	28%	0.28	S	S	*	.			trans	-91.1	162.1	172.1	-51.6	166.7	-62.3	170.7	8.1	110.2	S446 D447	R444-S446 PolarHBondContact O-N 3.42Å; R444-S446 VanDerWaalsContact O-N 3.09Å; R444-D447 VanDerWaalsContact CB-OD2 3.22Å; R444-D447 WeakPolarHBondContact CB-OD2 3.14Å; R444-D447 WeakPolarHBondContact CG-OD2 3.44Å; R444-D447 IonicContact CZ-OD1 2.9Å; R444-D447 IonicContact CZ-OD2 3.63Å; R444-D447 PolarHBondContact N-OD2 3.17Å; R444-D447 IonicContact NE-OD1 2.69Å; R444-D447 PolarHBondContact NE-OD1 2.66Å; R444-D447 IonicContact NE-OD2 3.08Å; R444-D447 PolarHBondContact NE-OD2 3.37Å; R444-D447 IonicContact NH2-OD1 2.71Å; R444-D447 PolarHBondContact NH2-OD1 3.31Å; R444-D447 IonicContact NH2-OD2 3.19Å; R444-D447 WeakPolarHBondContact O-CB 3.49Å; R444-D447 PolarHBondContact O-N 3.33Å
445	K	85.2	Confident	88.2	Confident	66 Å²	66	61 Å²	61	29%	0.287	31%	0.313	S	S	.	.	H	α-helix	trans	-52	-32.2	174.2	-68.6	171.8	-178	152.5	0	113.5	L440 D447 F488 A489 E588	L440-K445 HydrophobicContact CD1-CG 4.16Å; K445-D447 VanDerWaalsContact C-N 3.32Å; K445-F488 WeakPolarHBondContact O-CA 3.46Å; K445-A489 PolarHBondContact O-N 3.08Å; K445-E588 IonicContact NZ-OE1 3.66Å; K445-E588 PolarHBondContact NZ-OE1 3.08Å; K445-E588 IonicContact NZ-OE2 2.87Å; K445-E588 PolarHBondContact NZ-OE2 3.43Å
446	S	83.1	Confident	87.9	Confident	26 Å²	26	57.8 Å²	57.8	18%	0.182	30%	0.303	C	S	.	.	H	α-helix	trans	-65.9	-31.3	176.1	49.4	0	0	0	0	113.7	R444 P450	R444-S446 PolarHBondContact O-N 3.42Å; R444-S446 VanDerWaalsContact O-N 3.09Å; S446-P450 VanDerWaalsContact O-CD 3.26Å; S446-P450 WeakPolarHBondContact O-CD 3.37Å
447	D	85.3	Confident	87.6	Confident	41 Å²	41	58.7 Å²	58.7	22%	0.219	32%	0.315	C	S	.	.	H	α-helix	trans	-88.2	-18.5	-165	-47.6	-27.5	0	0	0	111.1	F443 R444 K445 P450 H451	F443-D447 HydrophobicContact CD1-CB 4.34Å; R444-D447 VanDerWaalsContact CB-OD2 3.22Å; R444-D447 WeakPolarHBondContact CB-OD2 3.14Å; R444-D447 WeakPolarHBondContact CG-OD2 3.44Å; R444-D447 IonicContact CZ-OD1 2.9Å; R444-D447 IonicContact CZ-OD2 3.63Å; R444-D447 PolarHBondContact N-OD2 3.17Å; R444-D447 IonicContact NE-OD1 2.69Å; R444-D447 PolarHBondContact NE-OD1 2.66Å; R444-D447 IonicContact NE-OD2 3.08Å; R444-D447 PolarHBondContact NE-OD2 3.37Å; R444-D447 IonicContact NH2-OD1 2.71Å; R444-D447 PolarHBondContact NH2-OD1 3.31Å; R444-D447 IonicContact NH2-OD2 3.19Å; R444-D447 WeakPolarHBondContact O-CB 3.49Å; R444-D447 PolarHBondContact O-N 3.33Å; K445-D447 VanDerWaalsContact C-N 3.32Å; D447-P450 WeakPolarHBondContact O-CD 3.22Å; D447-H451 PolarHBondContact O-CD2 3.45Å; D447-H451 VanDerWaalsContact O-CD2 3.29Å
448	V	88.8	Confident	87.5	Confident	0 Å²	0	62.2 Å²	62.2	0%	0	33%	0.331	C	S	.	.	H	α-helix	trans	-69.5	-47.3	-178.4	176.4	0	0	0	0	112.6	L437 L440 H451 L452 Y466 F488	L437-V448 HydrophobicContact CB-CG1 4.45Å; L437-V448 HydrophobicContact CB-CG2 4.36Å; L437-V448 HydrophobicContact CD2-CG2 4.12Å; L440-V448 HydrophobicContact CD2-CG2 3.83Å; V448-H451 WeakPolarHBondContact O-CA 3.07Å; V448-H451 WeakPolarHBondContact O-CB 3.45Å; V448-H451 PolarHBondContact O-N 3.34Å; V448-L452 HydrophobicContact CG1-CD1 3.75Å; V448-L452 HydrophobicContact CG1-CG 4.3Å; V448-L452 WeakPolarHBondContact O-CG 3.22Å; V448-L452 PolarHBondContact O-N 3.03Å; V448-Y466 HydrophobicContact CG1-CE1 4.49Å; V448-Y466 HydrophobicContact CG1-CE2 3.82Å; V448-F488 HydrophobicContact CB-CB 3.79Å; V448-F488 HydrophobicContact CG1-CB 3.86Å; V448-F488 HydrophobicContact CG1-CG 4.3Å; V448-F488 HydrophobicContact CG2-CB 4.46Å
449	A	88.3	Confident	87.5	Confident	2 Å²	2	59 Å²	59	2%	0.017	32%	0.319	C	S	.	.	H	α-helix	trans	-58	-44.6	-178.9	0	0	0	0	0	113.3	H451 L452 S453 F488 A489	A449-H451 PolarHBondContact O-N 3.34Å; A449-H451 VanDerWaalsContact O-N 3.09Å; A449-L452 CarbonylContact O-C 3.6Å; A449-L452 PolarHBondContact O-N 3.07Å; A449-S453 WeakPolarHBondContact O-CB 3.11Å; A449-S453 PolarHBondContact O-N 2.96Å; A449-S453 PolarHBondContact O-OG 3.22Å; A449-F488 HydrophobicContact CB-CD2 3.91Å; A449-F488 HydrophobicContact CB-CE2 4.2Å; A449-A489 VanDerWaalsContact CB-O 3.3Å; A449-A489 WeakPolarHBondContact CB-O 3.43Å
450	P	87.4	Confident	87.4	Confident	52 Å²	52	59.5 Å²	59.5	34%	0.338	31%	0.31	S	S	.	.	H	α-helix	trans	-61.5	-10.1	171.8	-27	36.2	0	0	0	116.7	S446 D447 K454	S446-P450 VanDerWaalsContact O-CD 3.26Å; S446-P450 WeakPolarHBondContact O-CD 3.37Å; D447-P450 WeakPolarHBondContact O-CD 3.22Å; P450-K454 WeakPolarHBondContact O-CD 3.36Å; P450-K454 WeakPolarHBondContact O-CE 3.49Å; P450-K454 PolarHBondContact O-NZ 3.31Å
451	H	88.7	Confident	87.5	Confident	58 Å²	58	59 Å²	59	27%	0.269	31%	0.307	S	S	.	.	H	α-helix	trans	-97.3	-9.2	170.2	-81.3	-71.9	0	0	0	113.5	L437 F443 D447 V448 A449 S459	L437-H451 HydrophobicContact CD1-CB 3.64Å; L437-H451 HydrophobicContact CD2-CB 4.25Å; F443-H451 AromaticContact CE1-NE2 3.7Å; D447-H451 PolarHBondContact O-CD2 3.45Å; D447-H451 VanDerWaalsContact O-CD2 3.29Å; V448-H451 WeakPolarHBondContact O-CA 3.07Å; V448-H451 WeakPolarHBondContact O-CB 3.45Å; V448-H451 PolarHBondContact O-N 3.34Å; A449-H451 PolarHBondContact O-N 3.34Å; A449-H451 VanDerWaalsContact O-N 3.09Å; H451-S459 PolarHBondContact O-OG 3.38Å; H451-S459 VanDerWaalsContact O-OG 3.1Å
452	L	89.4	Confident	87.8	Confident	4 Å²	4	54.9 Å²	54.9	2%	0.021	29%	0.285	C	S	.	.	H	α-helix	trans	-108.9	-21.6	177.9	-57.9	174.2	0	0	0	112.2	V448 A449 A463 Y466 V500	V448-L452 HydrophobicContact CG1-CD1 3.75Å; V448-L452 HydrophobicContact CG1-CG 4.3Å; V448-L452 WeakPolarHBondContact O-CG 3.22Å; V448-L452 PolarHBondContact O-N 3.03Å; A449-L452 CarbonylContact O-C 3.6Å; A449-L452 PolarHBondContact O-N 3.07Å; L452-A463 HydrophobicContact CB-CB 4.44Å; L452-A463 HydrophobicContact CD2-CB 3.75Å; L452-Y466 HydrophobicContact CD1-CD1 3.86Å; L452-Y466 HydrophobicContact CD1-CE1 3.77Å; L452-Y466 HydrophobicContact CD1-CG 4.49Å; L452-Y466 HydrophobicContact CD2-CD1 3.91Å; L452-Y466 HydrophobicContact CD2-CG 3.91Å; L452-V500 HydrophobicContact CB-CG2 3.83Å; L452-V500 HydrophobicContact CD1-CG1 4.47Å
453	S	87.4	Confident	88.1	Confident	3 Å²	3	51.6 Å²	51.6	2%	0.021	25%	0.251	C	S	.	.	S	Bend	trans	-89.3	-3.8	-172	68.7	0	0	0	0	115.7	A449 E496 R499	A449-S453 WeakPolarHBondContact O-CB 3.11Å; A449-S453 PolarHBondContact O-N 2.96Å; A449-S453 PolarHBondContact O-OG 3.22Å; S453-E496 PolarHBondContact OG-OE1 2.66Å; S453-E496 VanDerWaalsContact OG-OE1 3.08Å; S453-R499 PolarHBondContact O-NE 3.23Å; S453-R499 PolarHBondContact O-NH2 3.46Å; S453-R499 VanDerWaalsContact O-NH2 3.09Å
454	K	87.3	Confident	88.3	Confident	99 Å²	99	54 Å²	54	43%	0.43	26%	0.263	S	S	.	.			trans	-84.7	134.9	-172.2	-74	167.2	176.9	146.1	0	111.3	P450 N456 S459	P450-K454 WeakPolarHBondContact O-CD 3.36Å; P450-K454 WeakPolarHBondContact O-CE 3.49Å; P450-K454 PolarHBondContact O-NZ 3.31Å; K454-N456 PolarHBondContact O-N 3.18Å; K454-S459 PolarHBondContact N-OG 3.08Å; K454-S459 VanDerWaalsContact O-CB 3.26Å; K454-S459 WeakPolarHBondContact O-CB 3.33Å; K454-S459 PolarHBondContact O-OG 3.09Å
455	N	82.1	Confident	88.7	Confident	131 Å²	131	46.6 Å²	46.6	70%	0.701	24%	0.236	S	C	*	.	S	Bend	trans	-83.6	57.1	-178.6	-164.3	42.6	0	0	0	112.1
456	N	88.3	Confident	89.1	Confident	77 Å²	77	43.5 Å²	43.5	41%	0.412	22%	0.222	S	C	.	.	S	Bend	trans	-137.3	154.9	174.2	70.4	32.2	0	0	0	111.3	K454 F458 S459 Q460	K454-N456 PolarHBondContact O-N 3.18Å; N456-F458 VanDerWaalsContact C-N 3.29Å; N456-F458 PolarHBondContact O-N 2.77Å; N456-S459 WeakPolarHBondContact O-CB 3.41Å; N456-S459 PolarHBondContact O-N 3.08Å; N456-S459 WeakPolarHBondContact OD1-CB 3.43Å; N456-S459 PolarHBondContact OD1-N 2.84Å; N456-Q460 PolarHBondContact O-N 2.79Å
457	D	87.8	Confident	89.6	Confident	122 Å²	122	42.6 Å²	42.6	65%	0.652	22%	0.215	S	C	*	.	H	α-helix	trans	-63.4	-35.4	-167.5	-53.2	-28.2	0	0	0	112.5	Q460 M461	D457-Q460 PolarHBondContact O-N 2.97Å; D457-M461 WeakPolarHBondContact O-CG 3.45Å; D457-M461 PolarHBondContact O-N 3.5Å
458	F	90.5	Very high	90	Very high	74 Å²	74	44.5 Å²	44.5	33%	0.325	22%	0.222	S	C	.	.	H	α-helix	trans	-63.6	-44.1	173.8	-175.2	-100.6	0	0	0	112.2	A429 A430 L433 N456 Q460 M461 V462	A429-F458 HydrophobicContact CB-CE2 3.97Å; A429-F458 HydrophobicContact CB-CZ 4.28Å; A430-F458 HydrophobicContact CB-CD2 4.49Å; A430-F458 HydrophobicContact CB-CE2 4Å; A430-F458 HydrophobicContact CB-CZ 4.45Å; L433-F458 HydrophobicContact CD2-CE1 3.9Å; L433-F458 HydrophobicContact CD2-CZ 4.35Å; N456-F458 VanDerWaalsContact C-N 3.29Å; N456-F458 PolarHBondContact O-N 2.77Å; F458-Q460 VanDerWaalsContact C-N 3.31Å; F458-Q460 PolarHBondContact O-N 3.27Å; F458-M461 HydrophobicContact CD2-CE 4.42Å; F458-M461 PolarHBondContact O-N 3.34Å; F458-V462 HydrophobicContact CD1-CG2 3.97Å; F458-V462 HydrophobicContact CE1-CG2 3.6Å; F458-V462 HydrophobicContact CE2-CG2 4.41Å; F458-V462 HydrophobicContact CZ-CG2 3.84Å; F458-V462 WeakPolarHBondContact O-CB 3.11Å; F458-V462 WeakPolarHBondContact O-CG2 3.35Å; F458-V462 PolarHBondContact O-N 2.71Å
459	S	89.8	Confident	90.1	Very high	5 Å²	5	47.9 Å²	47.9	4%	0.035	24%	0.238	C	C	.	.	H	α-helix	trans	-65	-34.8	174.9	-171.7	0	0	0	0	112	H451 K454 N456 V462 A463	H451-S459 PolarHBondContact O-OG 3.38Å; H451-S459 VanDerWaalsContact O-OG 3.1Å; K454-S459 PolarHBondContact N-OG 3.08Å; K454-S459 VanDerWaalsContact O-CB 3.26Å; K454-S459 WeakPolarHBondContact O-CB 3.33Å; K454-S459 PolarHBondContact O-OG 3.09Å; N456-S459 WeakPolarHBondContact O-CB 3.41Å; N456-S459 PolarHBondContact O-N 3.08Å; N456-S459 WeakPolarHBondContact OD1-CB 3.43Å; N456-S459 PolarHBondContact OD1-N 2.84Å; S459-V462 PolarHBondContact O-N 3.26Å; S459-A463 VanDerWaalsContact O-CB 3.26Å; S459-A463 WeakPolarHBondContact O-CB 3.35Å; S459-A463 PolarHBondContact O-N 3.09Å
460	Q	89.8	Confident	90.3	Very high	74 Å²	74	48.1 Å²	48.1	35%	0.346	24%	0.239	S	C	.	.	H	α-helix	trans	-66.8	-42.2	174.4	-68.3	-175.7	70.6	0	0	111.7	N456 D457 F458 A463 Q464	N456-Q460 PolarHBondContact O-N 2.79Å; D457-Q460 PolarHBondContact O-N 2.97Å; F458-Q460 VanDerWaalsContact C-N 3.31Å; F458-Q460 PolarHBondContact O-N 3.27Å; Q460-A463 PolarHBondContact O-N 2.99Å; Q460-Q464 WeakPolarHBondContact O-CB 3.19Å; Q460-Q464 PolarHBondContact O-N 2.7Å
461	M	91.6	Very high	90.6	Very high	42 Å²	42	51.1 Å²	51.1	21%	0.207	25%	0.252	C	S	.	.	H	α-helix	trans	-63.5	-45.5	172.8	-72.1	-171.8	-71.1	0	0	111.8	D426 L427 A430 D457 F458 A463 Q464 E465	D426-M461 HydrophobicContact CB-CE 4.03Å; L427-M461 HydrophobicContact CD1-SD 4.24Å; A430-M461 HydrophobicContact CB-CB 3.88Å; D457-M461 WeakPolarHBondContact O-CG 3.45Å; D457-M461 PolarHBondContact O-N 3.5Å; F458-M461 HydrophobicContact CD2-CE 4.42Å; F458-M461 PolarHBondContact O-N 3.34Å; M461-A463 VanDerWaalsContact C-N 3.3Å; M461-A463 PolarHBondContact O-N 3.33Å; M461-Q464 PolarHBondContact O-N 3.19Å; M461-E465 WeakPolarHBondContact O-CB 3.44Å; M461-E465 VanDerWaalsContact O-CG 3.29Å; M461-E465 WeakPolarHBondContact O-CG 3.45Å; M461-E465 PolarHBondContact O-N 2.94Å
462	V	94.3	Very high	90.8	Very high	1 Å²	1	48.3 Å²	48.3	1%	0.006	24%	0.239	C	C	.	.	H	α-helix	trans	-58.4	-42.9	174.9	170.1	0	0	0	0	110.8	A430 L433 L437 F458 S459 Y466	A430-V462 HydrophobicContact CB-CG2 3.77Å; L433-V462 HydrophobicContact CB-CG2 4.41Å; L433-V462 HydrophobicContact CD2-CG1 4.23Å; L433-V462 HydrophobicContact CD2-CG2 3.93Å; L433-V462 HydrophobicContact CG-CG1 4.26Å; L433-V462 HydrophobicContact CG-CG2 4.44Å; L437-V462 HydrophobicContact CD1-CG1 3.86Å; F458-V462 HydrophobicContact CD1-CG2 3.97Å; F458-V462 HydrophobicContact CE1-CG2 3.6Å; F458-V462 HydrophobicContact CE2-CG2 4.41Å; F458-V462 HydrophobicContact CZ-CG2 3.84Å; F458-V462 WeakPolarHBondContact O-CB 3.11Å; F458-V462 WeakPolarHBondContact O-CG2 3.35Å; F458-V462 PolarHBondContact O-N 2.71Å; S459-V462 PolarHBondContact O-N 3.26Å; V462-Y466 WeakPolarHBondContact O-CB 3.4Å; V462-Y466 PolarHBondContact O-N 2.73Å
463	A	92.6	Very high	91	Very high	1 Å²	1	51.3 Å²	51.3	1%	0.008	26%	0.26	C	S	.	.	H	α-helix	trans	-69.8	-37.4	179.6	0	0	0	0	0	113.2	L452 S459 Q460 M461 L467 H503	L452-A463 HydrophobicContact CB-CB 4.44Å; L452-A463 HydrophobicContact CD2-CB 3.75Å; S459-A463 VanDerWaalsContact O-CB 3.26Å; S459-A463 WeakPolarHBondContact O-CB 3.35Å; S459-A463 PolarHBondContact O-N 3.09Å; Q460-A463 PolarHBondContact O-N 2.99Å; M461-A463 VanDerWaalsContact C-N 3.3Å; M461-A463 PolarHBondContact O-N 3.33Å; A463-L467 WeakPolarHBondContact O-CB 3.23Å; A463-L467 WeakPolarHBondContact O-CG 3.48Å; A463-L467 PolarHBondContact O-N 3.48Å; A463-L467 VanDerWaalsContact O-N 3.1Å; A463-H503 HydrophobicContact CB-CB 4.44Å
464	Q	90.8	Very high	90.9	Very high	88 Å²	88	54.7 Å²	54.7	41%	0.411	30%	0.296	S	S	.	.	H	α-helix	trans	-63.2	-52.7	173.1	-179	170.2	-33.9	0	0	111.2	Q460 M461 Y466 L467 E468	Q460-Q464 WeakPolarHBondContact O-CB 3.19Å; Q460-Q464 PolarHBondContact O-N 2.7Å; M461-Q464 PolarHBondContact O-N 3.19Å; Q464-Y466 VanDerWaalsContact C-N 3.33Å; Q464-Y466 PolarHBondContact O-N 2.97Å; Q464-L467 CarbonylContact O-C 3.56Å; Q464-L467 PolarHBondContact O-N 2.94Å; Q464-E468 PolarHBondContact O-N 3.17Å
465	E	94.1	Very high	91.1	Very high	13 Å²	13	52.3 Å²	52.3	6%	0.061	29%	0.287	C	S	.	.	H	α-helix	trans	-64.3	-35	180	-65.9	-75.4	170.6	0	0	112.2	L427 R431 A434 M461 L467 E468	L427-E465 HydrophobicContact CD1-CG 4.4Å; L427-E465 WeakPolarHBondContact CD1-OE1 3.44Å; R431-E465 HydrophobicContact CG-CB 4.36Å; R431-E465 HydrophobicContact CG-CG 3.89Å; R431-E465 WeakPolarHBondContact CG-OE2 3.5Å; R431-E465 IonicContact CZ-OE1 3.82Å; R431-E465 IonicContact CZ-OE2 2.65Å; R431-E465 IonicContact NE-OE1 3.7Å; R431-E465 PolarHBondContact NE-OE1 2.81Å; R431-E465 IonicContact NE-OE2 2.62Å; R431-E465 PolarHBondContact NE-OE2 2.84Å; R431-E465 IonicContact NH2-OE1 2.74Å; R431-E465 PolarHBondContact NH2-OE1 2.9Å; R431-E465 IonicContact NH2-OE2 2.81Å; A434-E465 HydrophobicContact CB-CB 3.75Å; M461-E465 WeakPolarHBondContact O-CB 3.44Å; M461-E465 VanDerWaalsContact O-CG 3.29Å; M461-E465 WeakPolarHBondContact O-CG 3.45Å; M461-E465 PolarHBondContact O-N 2.94Å; E465-L467 VanDerWaalsContact C-N 3.28Å; E465-L467 PolarHBondContact O-N 2.93Å; E465-E468 PolarHBondContact O-N 3.15Å
466	Y	94.5	Very high	91.6	Very high	1 Å²	1	49.2 Å²	49.2	0%	0.004	27%	0.27	C	S	.	.	H	α-helix	trans	-63.5	-36.3	173.2	176.2	-92.5	0	0	0	111.6	L437 Y438 V448 L452 V462 Q464 H469 F470 F484	L437-Y466 HydrophobicContact CB-CD2 3.92Å; L437-Y466 HydrophobicContact CB-CE2 3.98Å; Y438-Y466 HydrophobicContact CD2-CE2 4.27Å; V448-Y466 HydrophobicContact CG1-CE1 4.49Å; V448-Y466 HydrophobicContact CG1-CE2 3.82Å; L452-Y466 HydrophobicContact CD1-CD1 3.86Å; L452-Y466 HydrophobicContact CD1-CE1 3.77Å; L452-Y466 HydrophobicContact CD1-CG 4.49Å; L452-Y466 HydrophobicContact CD2-CD1 3.91Å; L452-Y466 HydrophobicContact CD2-CG 3.91Å; V462-Y466 WeakPolarHBondContact O-CB 3.4Å; V462-Y466 PolarHBondContact O-N 2.73Å; Q464-Y466 VanDerWaalsContact C-N 3.33Å; Q464-Y466 PolarHBondContact O-N 2.97Å; Y466-H469 PolarHBondContact O-N 3.46Å; Y466-F470 AromaticContact CD1-CE2 3.96Å; Y466-F470 HydrophobicContact CD1-CE2 3.96Å; Y466-F470 AromaticContact CE1-CE2 3.52Å; Y466-F470 HydrophobicContact CE1-CE2 3.52Å; Y466-F470 AromaticContact CE1-CZ 3.96Å; Y466-F470 HydrophobicContact CE1-CZ 3.96Å; Y466-F470 AromaticContact CZ-CE2 3.99Å; Y466-F470 WeakPolarHBondContact O-CD2 3.5Å; Y466-F484 HydrophobicContact CE1-CE2 4.22Å
467	L	93.6	Very high	91.8	Very high	6 Å²	6	45.8 Å²	45.8	3%	0.031	25%	0.252	C	S	.	.	H	α-helix	trans	-78.9	-19.7	176.7	-74.1	-173.9	0	0	0	114.2	A463 Q464 E465 H469 F470 F484 H503 R507	A463-L467 WeakPolarHBondContact O-CB 3.23Å; A463-L467 WeakPolarHBondContact O-CG 3.48Å; A463-L467 PolarHBondContact O-N 3.48Å; A463-L467 VanDerWaalsContact O-N 3.1Å; Q464-L467 CarbonylContact O-C 3.56Å; Q464-L467 PolarHBondContact O-N 2.94Å; E465-L467 VanDerWaalsContact C-N 3.28Å; E465-L467 PolarHBondContact O-N 2.93Å; L467-H469 PolarHBondContact O-N 2.91Å; L467-F470 HydrophobicContact CD2-CD2 3.85Å; L467-F470 HydrophobicContact CD2-CE2 4.07Å; L467-F470 HydrophobicContact CD2-CG 4.49Å; L467-F470 PolarHBondContact O-N 3.04Å; L467-F484 HydrophobicContact CD2-CD2 3.78Å; L467-F484 HydrophobicContact CD2-CE2 3.38Å; L467-F484 HydrophobicContact CD2-CZ 4.19Å; L467-H503 HydrophobicContact CD1-CB 3.59Å; L467-H503 WeakPolarHBondContact CD1-O 3.37Å; L467-R507 HydrophobicContact CB-CB 4Å; L467-R507 HydrophobicContact CB-CG 3.96Å; L467-R507 HydrophobicContact CD1-CB 3.87Å; L467-R507 HydrophobicContact CG-CB 4.47Å; L467-R507 WeakPolarHBondContact O-CD 3.35Å; L467-R507 PolarHBondContact O-NE 2.93Å
468	E	92.6	Very high	92	Very high	81 Å²	81	40.2 Å²	40.2	38%	0.379	22%	0.222	S	C	.	.	H	α-helix	trans	-63.6	-24.1	170.5	-71.4	-172.1	-158.4	0	0	112.6	Q464 E465 F470 R507	Q464-E468 PolarHBondContact O-N 3.17Å; E465-E468 PolarHBondContact O-N 3.15Å; E468-F470 PolarHBondContact O-N 3.39Å; E468-R507 PolarHBondContact O-NH2 3.07Å; E468-R507 VanDerWaalsContact O-NH2 3.14Å
469	H	91.8	Very high	92.2	Very high	72 Å²	72	40.6 Å²	40.6	33%	0.333	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.6	-3.2	170.5	-60.4	-34.6	0	0	0	114.7	K435 Y438 Y466 L467	K435-H469 WeakPolarHBondContact CA-NE2 3.21Å; Y438-H469 HydrophobicContact CD1-CB 4.09Å; Y438-H469 HydrophobicContact CD2-CB 3.44Å; Y438-H469 VanDerWaalsContact CD2-CB 3.44Å; Y438-H469 HydrophobicContact CE1-CB 4.17Å; Y438-H469 HydrophobicContact CE2-CB 3.51Å; Y438-H469 HydrophobicContact CG-CB 3.73Å; Y438-H469 AromaticContact CG-CD2 3.8Å; Y438-H469 PolarHBondContact OH-O 3.49Å; Y466-H469 PolarHBondContact O-N 3.46Å; L467-H469 PolarHBondContact O-N 2.91Å
470	F	92.7	Very high	92.4	Very high	7 Å²	7	40.4 Å²	40.4	3%	0.031	22%	0.223	C	C	.	.			trans	-105.8	131	171.4	-64	-103	0	0	0	110.3	Y438 Y466 L467 E468 F472 T483 F484 R487 R507	Y438-F470 HydrophobicContact CD2-CD2 4.26Å; Y438-F470 AromaticContact CD2-CE2 3.67Å; Y438-F470 HydrophobicContact CD2-CE2 3.67Å; Y438-F470 HydrophobicContact CD2-CZ 4.09Å; Y438-F470 AromaticContact CE2-CD2 3.87Å; Y438-F470 HydrophobicContact CE2-CD2 3.87Å; Y438-F470 HydrophobicContact CE2-CE1 4.22Å; Y438-F470 AromaticContact CE2-CE2 3.53Å; Y438-F470 HydrophobicContact CE2-CE2 3.53Å; Y438-F470 HydrophobicContact CE2-CG 4.39Å; Y438-F470 AromaticContact CE2-CZ 3.74Å; Y438-F470 HydrophobicContact CE2-CZ 3.74Å; Y466-F470 AromaticContact CD1-CE2 3.96Å; Y466-F470 HydrophobicContact CD1-CE2 3.96Å; Y466-F470 AromaticContact CE1-CE2 3.52Å; Y466-F470 HydrophobicContact CE1-CE2 3.52Å; Y466-F470 AromaticContact CE1-CZ 3.96Å; Y466-F470 HydrophobicContact CE1-CZ 3.96Å; Y466-F470 AromaticContact CZ-CE2 3.99Å; Y466-F470 WeakPolarHBondContact O-CD2 3.5Å; L467-F470 HydrophobicContact CD2-CD2 3.85Å; L467-F470 HydrophobicContact CD2-CE2 4.07Å; L467-F470 HydrophobicContact CD2-CG 4.49Å; L467-F470 PolarHBondContact O-N 3.04Å; E468-F470 PolarHBondContact O-N 3.39Å; F470-F472 HydrophobicContact CB-CD1 4.37Å; F470-F472 HydrophobicContact CB-CD2 4.5Å; F470-F472 HydrophobicContact CB-CE1 3.75Å; F470-F472 HydrophobicContact CB-CE2 3.89Å; F470-F472 HydrophobicContact CB-CZ 3.47Å; F470-F472 VanDerWaalsContact CB-CZ 3.47Å; F470-F472 AromaticContact CD1-CE1 3.85Å; F470-F472 HydrophobicContact CD1-CE1 3.85Å; F470-F472 AromaticContact CD1-CZ 3.79Å; F470-F472 HydrophobicContact CD1-CZ 3.79Å; F470-F472 HydrophobicContact CG-CE1 4.17Å; F470-F472 AromaticContact CG-CZ 3.8Å; F470-F472 HydrophobicContact CG-CZ 3.8Å; F470-T483 HydrophobicContact CD1-CG2 4.48Å; F470-F484 HydrophobicContact CE1-CB 4.49Å; F470-F484 HydrophobicContact CE1-CD2 4.08Å; F470-F484 HydrophobicContact CE2-CD2 4.31Å; F470-F484 AromaticContact CZ-CD2 3.92Å; F470-F484 HydrophobicContact CZ-CD2 3.92Å; F470-R487 HydrophobicContact CE1-CB 4.42Å; F470-R487 HydrophobicContact CE1-CG 3.67Å; F470-R487 HydrophobicContact CZ-CB 4.02Å; F470-R487 HydrophobicContact CZ-CG 3.67Å; F470-R507 PolarHBondContact O-NE 3.31Å; F470-R507 PolarHBondContact O-NH2 3.03Å
471	N	92.2	Very high	92.5	Very high	114 Å²	114	36.9 Å²	36.9	61%	0.61	21%	0.207	S	C	*	.			trans	-103	119.5	166.2	-178.8	9.7	0	0	0	108.3	S473	N471-S473 WeakPolarHBondContact OD1-CB 3.5Å; N471-S473 PolarHBondContact OD1-N 3.24Å; N471-S473 PolarHBondContact OD1-OG 3.31Å
472	F	93.8	Very high	92.6	Very high	0 Å²	0	36 Å²	36	0%	0	20%	0.202	C	C	.	.			trans	-113.7	7.9	176.5	-56.7	-48	0	0	0	112.9	F470 G474 M475 A480 F484 F504 R507 Y508 C511 N512	F470-F472 HydrophobicContact CB-CD1 4.37Å; F470-F472 HydrophobicContact CB-CD2 4.5Å; F470-F472 HydrophobicContact CB-CE1 3.75Å; F470-F472 HydrophobicContact CB-CE2 3.89Å; F470-F472 HydrophobicContact CB-CZ 3.47Å; F470-F472 VanDerWaalsContact CB-CZ 3.47Å; F470-F472 AromaticContact CD1-CE1 3.85Å; F470-F472 HydrophobicContact CD1-CE1 3.85Å; F470-F472 AromaticContact CD1-CZ 3.79Å; F470-F472 HydrophobicContact CD1-CZ 3.79Å; F470-F472 HydrophobicContact CG-CE1 4.17Å; F470-F472 AromaticContact CG-CZ 3.8Å; F470-F472 HydrophobicContact CG-CZ 3.8Å; F472-G474 PolarHBondContact O-N 3.49Å; F472-M475 HydrophobicContact CD1-SD 4.23Å; F472-M475 WeakPolarHBondContact O-CB 3.47Å; F472-M475 PolarHBondContact O-N 2.87Å; F472-M475 VanDerWaalsContact O-N 3.15Å; F472-A480 HydrophobicContact CB-CB 3.99Å; F472-A480 HydrophobicContact CD1-CB 3.48Å; F472-A480 VanDerWaalsContact CD1-CB 3.48Å; F472-A480 HydrophobicContact CE1-CB 4Å; F472-A480 WeakPolarHBondContact CE1-O 3.34Å; F472-A480 HydrophobicContact CG-CB 3.77Å; F472-F484 HydrophobicContact CE1-CB 4.48Å; F472-F484 HydrophobicContact CZ-CB 4.09Å; F472-F504 HydrophobicContact CD2-CE2 4.34Å; F472-F504 HydrophobicContact CE1-CE2 4.21Å; F472-F504 AromaticContact CE2-CD2 3.74Å; F472-F504 HydrophobicContact CE2-CD2 3.74Å; F472-F504 AromaticContact CE2-CE2 3.77Å; F472-F504 HydrophobicContact CE2-CE2 3.77Å; F472-F504 AromaticContact CZ-CD2 3.78Å; F472-F504 HydrophobicContact CZ-CD2 3.78Å; F472-F504 AromaticContact CZ-CE2 3.7Å; F472-F504 HydrophobicContact CZ-CE2 3.7Å; F472-R507 HydrophobicContact CD2-CB 4.4Å; F472-R507 HydrophobicContact CD2-CG 3.79Å; F472-R507 HydrophobicContact CE2-CB 4.19Å; F472-R507 HydrophobicContact CE2-CG 3.73Å; F472-Y508 HydrophobicContact CB-CD2 4.14Å; F472-C511 HydrophobicContact CB-CB 3.89Å; F472-N512 PolarHBondContact O-ND2 3.12Å; F472-N512 PolarHBondContact O-OD1 3.04Å
473	S	92.6	Very high	92.5	Very high	66 Å²	66	39 Å²	39	46%	0.462	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.3	125.7	-174.7	-65.6	0	0	0	0	111.6	N471 M475 C511 N512	N471-S473 WeakPolarHBondContact OD1-CB 3.5Å; N471-S473 PolarHBondContact OD1-N 3.24Å; N471-S473 PolarHBondContact OD1-OG 3.31Å; S473-M475 PolarHBondContact O-N 2.94Å; S473-C511 WeakPolarHBondContact CA-O 3.39Å; S473-C511 WeakPolarHBondContact CB-O 3.34Å; S473-C511 PolarHBondContact OG-O 3.31Å; S473-N512 WeakPolarHBondContact CA-OD1 3.48Å
474	G	86.7	Confident	92.5	Very high	75 Å²	75	39 Å²	39	77%	0.773	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	76.5	3.8	-176	0	0	0	0	0	114.7	F472 N512	F472-G474 PolarHBondContact O-N 3.49Å; G474-N512 PolarHBondContact N-OD1 3.41Å
475	M	91.9	Very high	92.5	Very high	48 Å²	48	35 Å²	35	24%	0.236	20%	0.201	C	C	.	.			trans	-90.8	143.6	173.5	-57.6	-175.9	74.4	0	0	110.4	F472 S473 Q479 A480 Y508	F472-M475 HydrophobicContact CD1-SD 4.23Å; F472-M475 WeakPolarHBondContact O-CB 3.47Å; F472-M475 PolarHBondContact O-N 2.87Å; F472-M475 VanDerWaalsContact O-N 3.15Å; S473-M475 PolarHBondContact O-N 2.94Å; M475-Q479 HydrophobicContact CB-CB 4.41Å; M475-Q479 HydrophobicContact CE-CB 3.88Å; M475-A480 HydrophobicContact CB-CB 4.3Å; M475-Y508 WeakPolarHBondContact O-CE2 3.42Å; M475-Y508 PolarHBondContact O-OH 2.98Å
476	N	91.7	Very high	92.2	Very high	67 Å²	67	39 Å²	39	36%	0.358	23%	0.227	S	C	.	.			trans	-70.4	155.7	166.3	-69.9	-42.4	0	0	0	110.8	D478 Q479 A480	N476-D478 VanDerWaalsContact C-N 3.26Å; N476-D478 WeakPolarHBondContact CB-OD1 3.48Å; N476-D478 PolarHBondContact O-N 3.26Å; N476-Q479 HydrophobicContact CB-CG 4.31Å; N476-Q479 WeakPolarHBondContact O-CB 3.35Å; N476-Q479 PolarHBondContact O-N 2.93Å; N476-A480 PolarHBondContact O-N 3.43Å
477	I	92.3	Very high	91.7	Very high	4 Å²	4	43.1 Å²	43.1	2%	0.021	24%	0.242	C	C	.	.	H	α-helix	trans	-59.5	-32.6	-175	-165.7	172.4	0	0	0	113.3	L481 F504 Y508 V522 L525 T526 L571	I477-L481 WeakPolarHBondContact O-CB 3.38Å; I477-L481 PolarHBondContact O-N 3.23Å; I477-F504 HydrophobicContact CG1-CE1 4.2Å; I477-F504 HydrophobicContact CG1-CZ 4.42Å; I477-Y508 VanDerWaalsContact CA-CE2 3.45Å; I477-Y508 HydrophobicContact CB-CE1 4.1Å; I477-Y508 HydrophobicContact CB-CE2 3.93Å; I477-Y508 HydrophobicContact CD1-CD1 4.49Å; I477-Y508 HydrophobicContact CD1-CE1 4.45Å; I477-Y508 HydrophobicContact CG1-CD1 4.38Å; I477-Y508 HydrophobicContact CG1-CD2 4.42Å; I477-Y508 HydrophobicContact CG1-CE1 4.29Å; I477-Y508 HydrophobicContact CG1-CE2 4.32Å; I477-Y508 HydrophobicContact CG1-CG 4.45Å; I477-Y508 PolarHBondContact N-OH 2.61Å; I477-Y508 VanDerWaalsContact N-OH 3.14Å; I477-V522 HydrophobicContact CD1-CG1 3.92Å; I477-L525 HydrophobicContact CD1-CB 4.32Å; I477-L525 HydrophobicContact CD1-CD2 4.26Å; I477-L525 HydrophobicContact CD1-CG 4.29Å; I477-L525 HydrophobicContact CG2-CD2 4.2Å; I477-L525 HydrophobicContact CG2-CG 4.5Å; I477-T526 WeakPolarHBondContact CD1-OG1 3.42Å; I477-L571 HydrophobicContact CG2-CD1 3.72Å; I477-L571 HydrophobicContact CG2-CD2 3.52Å; I477-L571 HydrophobicContact CG2-CG 4.28Å
478	D	92.8	Very high	91.3	Very high	5 Å²	5	43.1 Å²	43.1	3%	0.027	24%	0.242	C	C	.	.	H	α-helix	trans	-68.1	-42.2	173.1	63.3	-63.5	0	0	0	112.4	N476 L481 R482 L571 S574 I575	N476-D478 VanDerWaalsContact C-N 3.26Å; N476-D478 WeakPolarHBondContact CB-OD1 3.48Å; N476-D478 PolarHBondContact O-N 3.26Å; D478-L481 PolarHBondContact O-N 3.4Å; D478-R482 VanDerWaalsContact O-CG 3.26Å; D478-R482 WeakPolarHBondContact O-CG 3.43Å; D478-R482 PolarHBondContact O-N 2.93Å; D478-L571 HydrophobicContact CB-CD2 3.83Å; D478-L571 VanDerWaalsContact OD1-CD2 3.22Å; D478-L571 WeakPolarHBondContact OD1-CD2 3.48Å; D478-S574 WeakPolarHBondContact OD2-CB 3.37Å; D478-S574 PolarHBondContact OD2-OG 3.41Å; D478-I575 HydrophobicContact CB-CD1 4.22Å
479	Q	93.5	Very high	90.7	Very high	83 Å²	83	39.3 Å²	39.3	39%	0.388	22%	0.224	S	C	.	.	H	α-helix	trans	-66.8	-47.2	179.4	-60.9	172.4	-39.4	0	0	110.7	M475 N476 L481 R482 T483	M475-Q479 HydrophobicContact CB-CB 4.41Å; M475-Q479 HydrophobicContact CE-CB 3.88Å; N476-Q479 HydrophobicContact CB-CG 4.31Å; N476-Q479 WeakPolarHBondContact O-CB 3.35Å; N476-Q479 PolarHBondContact O-N 2.93Å; Q479-L481 VanDerWaalsContact C-N 3.29Å; Q479-L481 PolarHBondContact O-N 2.8Å; Q479-R482 PolarHBondContact O-N 3.1Å; Q479-T483 PolarHBondContact O-N 2.9Å; Q479-T483 PolarHBondContact O-OG1 3.46Å
480	A	94.3	Very high	90.3	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-58.3	-42.3	174.4	0	0	0	0	0	111.6	F472 M475 N476 T483 F484 F504 Y508	F472-A480 HydrophobicContact CB-CB 3.99Å; F472-A480 HydrophobicContact CD1-CB 3.48Å; F472-A480 VanDerWaalsContact CD1-CB 3.48Å; F472-A480 HydrophobicContact CE1-CB 4Å; F472-A480 WeakPolarHBondContact CE1-O 3.34Å; F472-A480 HydrophobicContact CG-CB 3.77Å; M475-A480 HydrophobicContact CB-CB 4.3Å; N476-A480 PolarHBondContact O-N 3.43Å; A480-T483 PolarHBondContact O-N 3.43Å; A480-F484 WeakPolarHBondContact O-CB 3.42Å; A480-F484 PolarHBondContact O-N 2.89Å; A480-F504 HydrophobicContact CB-CE2 3.95Å; A480-F504 HydrophobicContact CB-CZ 3.92Å; A480-Y508 HydrophobicContact CB-CD2 3.62Å; A480-Y508 HydrophobicContact CB-CE2 3.87Å
481	L	93.1	Very high	89.4	Confident	0 Å²	0	40 Å²	40	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-67.4	-39.5	179	-175.3	61	0	0	0	112.1	I477 D478 Q479 F484 L485 L501 F504 T526 V529 M530 L580	I477-L481 WeakPolarHBondContact O-CB 3.38Å; I477-L481 PolarHBondContact O-N 3.23Å; D478-L481 PolarHBondContact O-N 3.4Å; Q479-L481 VanDerWaalsContact C-N 3.29Å; Q479-L481 PolarHBondContact O-N 2.8Å; L481-F484 HydrophobicContact CD1-CD1 4.36Å; L481-F484 PolarHBondContact O-N 2.92Å; L481-L485 HydrophobicContact CD1-CD1 3.64Å; L481-L485 HydrophobicContact CD1-CG 4Å; L481-L485 HydrophobicContact CD2-CD1 4.47Å; L481-L485 HydrophobicContact CG-CD1 3.63Å; L481-L485 HydrophobicContact CG-CG 4.37Å; L481-L485 WeakPolarHBondContact O-CB 3.31Å; L481-L485 WeakPolarHBondContact O-CD1 3.33Å; L481-L485 WeakPolarHBondContact O-CG 3.29Å; L481-L485 PolarHBondContact O-N 3.44Å; L481-L501 HydrophobicContact CD1-CD2 3.95Å; L481-F504 HydrophobicContact CB-CE1 4.22Å; L481-F504 HydrophobicContact CB-CE2 4.37Å; L481-F504 HydrophobicContact CB-CZ 3.78Å; L481-F504 HydrophobicContact CD1-CD1 4.16Å; L481-F504 HydrophobicContact CD1-CE1 3.97Å; L481-F504 HydrophobicContact CD1-CE2 4.49Å; L481-F504 HydrophobicContact CD1-CZ 4.14Å; L481-T526 HydrophobicContact CD1-CG2 4.09Å; L481-T526 HydrophobicContact CD2-CG2 4.21Å; L481-V529 HydrophobicContact CD2-CG1 3.73Å; L481-M530 HydrophobicContact CD2-CG 4.27Å; L481-M530 HydrophobicContact CD2-SD 4.05Å; L481-L580 HydrophobicContact CD2-CD1 3.89Å; L481-L580 HydrophobicContact CG-CD1 4.49Å
482	R	93.1	Very high	88.3	Confident	25 Å²	25	35.8 Å²	35.8	9%	0.094	21%	0.212	C	C	.	.	H	α-helix	trans	-58	-51.5	170.5	-69.7	164.8	-163.6	-66.3	0.2	111.2	D478 Q479 F484 L485 T486 S574 E578 K579 L580	D478-R482 VanDerWaalsContact O-CG 3.26Å; D478-R482 WeakPolarHBondContact O-CG 3.43Å; D478-R482 PolarHBondContact O-N 2.93Å; Q479-R482 PolarHBondContact O-N 3.1Å; R482-F484 VanDerWaalsContact C-N 3.29Å; R482-F484 PolarHBondContact O-N 3.21Å; R482-L485 PolarHBondContact O-N 3.05Å; R482-T486 WeakPolarHBondContact O-CB 3.48Å; R482-T486 PolarHBondContact O-N 3.37Å; R482-T486 PolarHBondContact O-OG1 3.37Å; R482-S574 PolarHBondContact NH2-O 3.37Å; R482-S574 VanDerWaalsContact NH2-O 3.17Å; R482-S574 PolarHBondContact NH2-OG 3.05Å; R482-E578 VanDerWaalsContact CD-OE1 3.29Å; R482-E578 WeakPolarHBondContact CD-OE1 3.44Å; R482-E578 VanDerWaalsContact CZ-CD 3.41Å; R482-E578 VanDerWaalsContact CZ-O 3.29Å; R482-E578 IonicContact CZ-OE1 3.71Å; R482-E578 IonicContact CZ-OE2 3.14Å; R482-E578 IonicContact NE-OE1 3.24Å; R482-E578 IonicContact NE-OE2 3.17Å; R482-E578 PolarHBondContact NH1-O 3.2Å; R482-E578 IonicContact NH1-OE1 3.67Å; R482-E578 PolarHBondContact NH1-OE1 2.94Å; R482-E578 IonicContact NH1-OE2 2.7Å; R482-E578 PolarHBondContact NH2-O 3.48Å; R482-K579 PolarHBondContact NH1-O 3.47Å; R482-L580 HydrophobicContact CG-CD2 3.56Å
483	T	92.1	Very high	87.3	Confident	64 Å²	64	40 Å²	40	39%	0.393	23%	0.232	S	C	.	.	H	α-helix	trans	-60.5	-38.9	179.6	-58.8	0	0	0	0	112.1	F470 Q479 A480	F470-T483 HydrophobicContact CD1-CG2 4.48Å; Q479-T483 PolarHBondContact O-N 2.9Å; Q479-T483 PolarHBondContact O-OG1 3.46Å; A480-T483 PolarHBondContact O-N 3.43Å
484	F	93.1	Very high	86.5	Confident	1 Å²	1	37.2 Å²	37.2	0%	0.004	21%	0.212	C	C	.	.	H	α-helix	trans	-63	-56	174.8	179.8	-126.6	0	0	0	112.1	Y466 L467 F470 F472 A480 L481 R482 T486 R487 F488 V500 F504	Y466-F484 HydrophobicContact CE1-CE2 4.22Å; L467-F484 HydrophobicContact CD2-CD2 3.78Å; L467-F484 HydrophobicContact CD2-CE2 3.38Å; L467-F484 HydrophobicContact CD2-CZ 4.19Å; F470-F484 HydrophobicContact CE1-CB 4.49Å; F470-F484 HydrophobicContact CE1-CD2 4.08Å; F470-F484 HydrophobicContact CE2-CD2 4.31Å; F470-F484 AromaticContact CZ-CD2 3.92Å; F470-F484 HydrophobicContact CZ-CD2 3.92Å; F472-F484 HydrophobicContact CE1-CB 4.48Å; F472-F484 HydrophobicContact CZ-CB 4.09Å; A480-F484 WeakPolarHBondContact O-CB 3.42Å; A480-F484 PolarHBondContact O-N 2.89Å; L481-F484 HydrophobicContact CD1-CD1 4.36Å; L481-F484 PolarHBondContact O-N 2.92Å; R482-F484 VanDerWaalsContact C-N 3.29Å; R482-F484 PolarHBondContact O-N 3.21Å; F484-T486 PolarHBondContact O-N 3.45Å; F484-R487 PolarHBondContact O-N 3.25Å; F484-F488 HydrophobicContact CD1-CE1 4.04Å; F484-F488 HydrophobicContact CD1-CZ 4.17Å; F484-F488 AromaticContact CD2-CE1 3.75Å; F484-F488 HydrophobicContact CD2-CE1 3.75Å; F484-F488 AromaticContact CE1-CE1 3.76Å; F484-F488 HydrophobicContact CE1-CE1 3.76Å; F484-F488 AromaticContact CE1-CZ 3.58Å; F484-F488 HydrophobicContact CE1-CZ 3.58Å; F484-F488 HydrophobicContact CE2-CD1 4.37Å; F484-F488 AromaticContact CE2-CE1 3.42Å; F484-F488 HydrophobicContact CE2-CE1 3.42Å; F484-F488 VanDerWaalsContact CE2-CE1 3.42Å; F484-F488 AromaticContact CE2-CZ 3.97Å; F484-F488 HydrophobicContact CE2-CZ 3.97Å; F484-F488 HydrophobicContact CG-CE1 4.04Å; F484-F488 AromaticContact CZ-CE1 3.45Å; F484-F488 HydrophobicContact CZ-CE1 3.45Å; F484-F488 VanDerWaalsContact CZ-CE1 3.45Å; F484-F488 AromaticContact CZ-CZ 3.48Å; F484-F488 HydrophobicContact CZ-CZ 3.48Å; F484-F488 VanDerWaalsContact CZ-CZ 3.48Å; F484-F488 WeakPolarHBondContact O-CD1 3.41Å; F484-F488 WeakPolarHBondContact O-CE1 3.35Å; F484-V500 HydrophobicContact CE1-CG1 4.05Å; F484-V500 HydrophobicContact CZ-CG1 3.69Å; F484-F504 HydrophobicContact CB-CD2 3.78Å; F484-F504 HydrophobicContact CB-CE2 3.98Å; F484-F504 HydrophobicContact CD1-CB 3.81Å; F484-F504 AromaticContact CD1-CD2 3.59Å; F484-F504 HydrophobicContact CD1-CD2 3.59Å; F484-F504 HydrophobicContact CD1-CE2 4.44Å; F484-F504 AromaticContact CD1-CG 3.84Å; F484-F504 HydrophobicContact CD1-CG 3.84Å; F484-F504 HydrophobicContact CD2-CD2 4.4Å; F484-F504 HydrophobicContact CE1-CB 3.59Å; F484-F504 HydrophobicContact CE1-CD2 4.26Å; F484-F504 HydrophobicContact CE1-CG 4.14Å; F484-F504 HydrophobicContact CG-CB 4.46Å; F484-F504 AromaticContact CG-CD2 3.67Å; F484-F504 HydrophobicContact CG-CD2 3.67Å; F484-F504 HydrophobicContact CG-CE2 4.37Å; F484-F504 HydrophobicContact CG-CG 4.36Å; F484-F504 HydrophobicContact CZ-CB 4.07Å
485	L	90.3	Very high	85.9	Confident	4 Å²	4	38 Å²	38	2%	0.021	20%	0.195	C	C	.	.	H	α-helix	trans	-69.1	-15.4	-175.6	-63.1	167.1	0	0	0	113.7	L481 R482 R487 F488 L490 M530 W582	L481-L485 HydrophobicContact CD1-CD1 3.64Å; L481-L485 HydrophobicContact CD1-CG 4Å; L481-L485 HydrophobicContact CD2-CD1 4.47Å; L481-L485 HydrophobicContact CG-CD1 3.63Å; L481-L485 HydrophobicContact CG-CG 4.37Å; L481-L485 WeakPolarHBondContact O-CB 3.31Å; L481-L485 WeakPolarHBondContact O-CD1 3.33Å; L481-L485 WeakPolarHBondContact O-CG 3.29Å; L481-L485 PolarHBondContact O-N 3.44Å; R482-L485 PolarHBondContact O-N 3.05Å; L485-R487 VanDerWaalsContact C-N 3.31Å; L485-R487 PolarHBondContact O-N 2.89Å; L485-F488 HydrophobicContact CD2-CZ 4.19Å; L485-L490 HydrophobicContact CD2-CB 4.06Å; L485-L490 HydrophobicContact CD2-CD2 3.8Å; L485-L490 HydrophobicContact CD2-CG 4.42Å; L485-M530 HydrophobicContact CD1-CE 4.45Å; L485-M530 HydrophobicContact CD1-SD 3.85Å; L485-W582 HydrophobicContact CB-CB 4.38Å; L485-W582 HydrophobicContact CD1-CB 4.03Å; L485-W582 HydrophobicContact CD2-CB 4.15Å; L485-W582 HydrophobicContact CG-CB 4.42Å
486	T	87.7	Confident	85.5	Confident	97 Å²	97	37.9 Å²	37.9	60%	0.595	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.2	-23.6	174.1	-58.7	0	0	0	0	112.8	R482 F484	R482-T486 WeakPolarHBondContact O-CB 3.48Å; R482-T486 PolarHBondContact O-N 3.37Å; R482-T486 PolarHBondContact O-OG1 3.37Å; F484-T486 PolarHBondContact O-N 3.45Å
487	R	85.2	Confident	85.2	Confident	87 Å²	87	36 Å²	36	33%	0.328	18%	0.182	S	C	.	.	S	Bend	trans	-84.9	-18.2	-173.9	-63.3	-58.4	-64.6	172	-0.7	114.6	Y438 F470 F484 L485	Y438-R487 PolarHBondContact O-NH2 3.37Å; F470-R487 HydrophobicContact CE1-CB 4.42Å; F470-R487 HydrophobicContact CE1-CG 3.67Å; F470-R487 HydrophobicContact CZ-CB 4.02Å; F470-R487 HydrophobicContact CZ-CG 3.67Å; F484-R487 PolarHBondContact O-N 3.25Å; L485-R487 VanDerWaalsContact C-N 3.31Å; L485-R487 PolarHBondContact O-N 2.89Å
488	F	84.6	Confident	85	Confident	5 Å²	5	36.7 Å²	36.7	2%	0.022	19%	0.185	C	C	.	.	S	Bend	trans	-156.2	165.2	-174.7	70.8	-79.5	0	0	0	111.4	K445 V448 A449 F484 L485 L490 V500	K445-F488 WeakPolarHBondContact O-CA 3.46Å; V448-F488 HydrophobicContact CB-CB 3.79Å; V448-F488 HydrophobicContact CG1-CB 3.86Å; V448-F488 HydrophobicContact CG1-CG 4.3Å; V448-F488 HydrophobicContact CG2-CB 4.46Å; A449-F488 HydrophobicContact CB-CD2 3.91Å; A449-F488 HydrophobicContact CB-CE2 4.2Å; F484-F488 HydrophobicContact CD1-CE1 4.04Å; F484-F488 HydrophobicContact CD1-CZ 4.17Å; F484-F488 AromaticContact CD2-CE1 3.75Å; F484-F488 HydrophobicContact CD2-CE1 3.75Å; F484-F488 AromaticContact CE1-CE1 3.76Å; F484-F488 HydrophobicContact CE1-CE1 3.76Å; F484-F488 AromaticContact CE1-CZ 3.58Å; F484-F488 HydrophobicContact CE1-CZ 3.58Å; F484-F488 HydrophobicContact CE2-CD1 4.37Å; F484-F488 AromaticContact CE2-CE1 3.42Å; F484-F488 HydrophobicContact CE2-CE1 3.42Å; F484-F488 VanDerWaalsContact CE2-CE1 3.42Å; F484-F488 AromaticContact CE2-CZ 3.97Å; F484-F488 HydrophobicContact CE2-CZ 3.97Å; F484-F488 HydrophobicContact CG-CE1 4.04Å; F484-F488 AromaticContact CZ-CE1 3.45Å; F484-F488 HydrophobicContact CZ-CE1 3.45Å; F484-F488 VanDerWaalsContact CZ-CE1 3.45Å; F484-F488 AromaticContact CZ-CZ 3.48Å; F484-F488 HydrophobicContact CZ-CZ 3.48Å; F484-F488 VanDerWaalsContact CZ-CZ 3.48Å; F484-F488 WeakPolarHBondContact O-CD1 3.41Å; F484-F488 WeakPolarHBondContact O-CE1 3.35Å; L485-F488 HydrophobicContact CD2-CZ 4.19Å; F488-L490 HydrophobicContact CE2-CB 4.12Å; F488-L490 HydrophobicContact CE2-CD1 3.89Å; F488-L490 HydrophobicContact CZ-CD1 4.33Å; F488-V500 HydrophobicContact CE2-CG1 3.85Å; F488-V500 HydrophobicContact CZ-CG1 3.69Å
489	A	80.4	Confident	84.8	Confident	1 Å²	1	40 Å²	40	1%	0.008	20%	0.197	C	C	.	.			trans	-89.8	122.9	176.1	0	0	0	0	0	110.7	K445 A449 M491 I584	K445-A489 PolarHBondContact O-N 3.08Å; A449-A489 VanDerWaalsContact CB-O 3.3Å; A449-A489 WeakPolarHBondContact CB-O 3.43Å; A489-M491 HydrophobicContact CB-CG 3.82Å; A489-M491 HydrophobicContact CB-SD 3.82Å; A489-M491 PolarHBondContact O-N 3.06Å; A489-I584 HydrophobicContact CB-CD1 3.97Å; A489-I584 HydrophobicContact CB-CG1 3.63Å
490	L	83.4	Confident	84.7	Confident	0 Å²	0	36.1 Å²	36.1	0%	0	18%	0.179	C	C	.	.			trans	-80.2	61.9	176.5	-171.4	66.2	0	0	0	110.8	L485 F488 R497 V500 L501 M530 W582	L485-L490 HydrophobicContact CD2-CB 4.06Å; L485-L490 HydrophobicContact CD2-CD2 3.8Å; L485-L490 HydrophobicContact CD2-CG 4.42Å; F488-L490 HydrophobicContact CE2-CB 4.12Å; F488-L490 HydrophobicContact CE2-CD1 3.89Å; F488-L490 HydrophobicContact CZ-CD1 4.33Å; L490-R497 HydrophobicContact CD1-CB 4Å; L490-R497 HydrophobicContact CD1-CG 4.04Å; L490-R497 HydrophobicContact CD2-CB 4.48Å; L490-R497 HydrophobicContact CG-CB 4.14Å; L490-R497 HydrophobicContact CG-CG 3.89Å; L490-R497 PolarHBondContact O-NE 2.81Å; L490-V500 HydrophobicContact CD1-CB 4.1Å; L490-V500 HydrophobicContact CD1-CG1 4Å; L490-L501 HydrophobicContact CD2-CD1 4.31Å; L490-L501 HydrophobicContact CD2-CD2 4.25Å; L490-L501 HydrophobicContact CD2-CG 4.32Å; L490-M530 HydrophobicContact CD2-CE 3.66Å; L490-W582 HydrophobicContact CB-CB 4.45Å; L490-W582 HydrophobicContact CB-CE3 4.19Å; L490-W582 PolarHBondContact N-O 3.24Å
491	M	73.7	Confident	84.6	Confident	95 Å²	95	36.1 Å²	36.1	47%	0.468	18%	0.179	S	C	.	.			trans	-90.3	164.1	176	-61.5	177.9	74.7	0	0	110.6	A489	A489-M491 HydrophobicContact CB-CG 3.82Å; A489-M491 HydrophobicContact CB-SD 3.82Å; A489-M491 PolarHBondContact O-N 3.06Å
492	G	67.8	Low	84.6	Confident	24 Å²	24	37.6 Å²	37.6	25%	0.247	19%	0.192	C	C	.	.	S	Bend	trans	122.2	-168.7	178.8	0	0	0	0	0	115.3	R298 E496	R298-G492 PolarHBondContact NH2-O 3.49Å; G492-E496 WeakPolarHBondContact CA-OE2 3.29Å
493	E	72.3	Confident	84.6	Confident	89 Å²	89	37.5 Å²	37.5	42%	0.416	19%	0.192	S	C	.	.			trans	-63.8	161.2	167.4	-51.7	-84.1	108.7	0	0	111	R298 Q495 E496 R497	R298-E493 IonicContact CZ-OE1 2.68Å; R298-E493 VanDerWaalsContact NH1-CD 3.29Å; R298-E493 IonicContact NH1-OE1 3.11Å; R298-E493 PolarHBondContact NH1-OE1 2.65Å; R298-E493 IonicContact NH1-OE2 3.78Å; R298-E493 IonicContact NH2-OE1 3.77Å; R298-E493 PolarHBondContact NH2-OE1 2.75Å; E493-Q495 VanDerWaalsContact C-N 3.35Å; E493-Q495 PolarHBondContact O-N 3.17Å; E493-E496 HydrophobicContact CB-CB 4.06Å; E493-E496 HydrophobicContact CB-CG 3.86Å; E493-E496 HydrophobicContact CG-CG 4Å; E493-E496 WeakPolarHBondContact CG-OE2 3.27Å; E493-E496 PolarHBondContact N-OE2 3.31Å; E493-E496 PolarHBondContact O-N 2.75Å; E493-R497 VanDerWaalsContact O-CG 3.31Å; E493-R497 WeakPolarHBondContact O-CG 3.45Å; E493-R497 PolarHBondContact O-N 3.16Å
494	T	76.2	Confident	84.7	Confident	7 Å²	7	34.5 Å²	34.5	4%	0.043	17%	0.174	C	C	.	.	H	α-helix	trans	-62.5	-45.4	171.5	-51.1	0	0	0	0	111.4	F290 E291 M294 E295 E496 R497 E498	F290-T494 HydrophobicContact CD1-CG2 3.46Å; F290-T494 VanDerWaalsContact CD1-CG2 3.46Å; F290-T494 HydrophobicContact CE1-CG2 3.56Å; F290-T494 HydrophobicContact CG-CG2 4.34Å; E291-T494 VanDerWaalsContact CA-CG2 3.43Å; E291-T494 HydrophobicContact CB-CG2 4.46Å; E291-T494 HydrophobicContact CG-CG2 4.28Å; E291-T494 PolarHBondContact O-OG1 3.09Å; E291-T494 VanDerWaalsContact O-OG1 3.12Å; M294-T494 HydrophobicContact CB-CG2 3.47Å; M294-T494 VanDerWaalsContact CB-CG2 3.47Å; M294-T494 VanDerWaalsContact CB-OG1 3.26Å; M294-T494 WeakPolarHBondContact CB-OG1 3.49Å; M294-T494 HydrophobicContact CG-CG2 3.93Å; E295-T494 PolarHBondContact N-OG1 3.36Å; T494-E496 PolarHBondContact O-N 2.83Å; T494-R497 PolarHBondContact O-N 3.39Å; T494-R497 VanDerWaalsContact O-N 3.08Å; T494-E498 WeakPolarHBondContact O-CB 3.48Å; T494-E498 PolarHBondContact O-N 3.43Å
495	Q	74.5	Confident	84.7	Confident	91 Å²	91	34.4 Å²	34.4	43%	0.425	17%	0.173	S	C	.	.	H	α-helix	trans	-59.3	-33	178.5	-63.8	-175.8	-0.8	0	0	112.5	E291 E493 R499	E291-Q495 VanDerWaalsContact CD-CG 3.44Å; E291-Q495 HydrophobicContact CG-CG 3.76Å; E291-Q495 WeakPolarHBondContact OE2-CG 3.19Å; E291-Q495 PolarHBondContact OE2-NE2 2.71Å; E493-Q495 VanDerWaalsContact C-N 3.35Å; E493-Q495 PolarHBondContact O-N 3.17Å; Q495-R499 WeakPolarHBondContact O-CG 3.48Å; Q495-R499 PolarHBondContact O-N 2.67Å; Q495-R499 PolarHBondContact O-NH1 2.88Å
496	E	83.8	Confident	84.8	Confident	47 Å²	47	38.4 Å²	38.4	22%	0.22	19%	0.188	C	C	.	.	H	α-helix	trans	-67.5	-48.2	173.2	-75	-171.9	118.5	0	0	112	S453 G492 E493 T494 E498 R499 V500	S453-E496 PolarHBondContact OG-OE1 2.66Å; S453-E496 VanDerWaalsContact OG-OE1 3.08Å; G492-E496 WeakPolarHBondContact CA-OE2 3.29Å; E493-E496 HydrophobicContact CB-CB 4.06Å; E493-E496 HydrophobicContact CB-CG 3.86Å; E493-E496 HydrophobicContact CG-CG 4Å; E493-E496 WeakPolarHBondContact CG-OE2 3.27Å; E493-E496 PolarHBondContact N-OE2 3.31Å; E493-E496 PolarHBondContact O-N 2.75Å; T494-E496 PolarHBondContact O-N 2.83Å; E496-E498 VanDerWaalsContact C-N 3.31Å; E496-E498 PolarHBondContact O-N 3.11Å; E496-R499 PolarHBondContact O-N 2.99Å; E496-V500 WeakPolarHBondContact O-CG2 3.43Å; E496-V500 PolarHBondContact O-N 3.21Å
497	R	85.4	Confident	85.1	Confident	28 Å²	28	35.9 Å²	35.9	11%	0.106	17%	0.168	C	C	.	.	H	α-helix	trans	-61.5	-40.2	177.1	-65.7	174.7	168.2	139.1	-3.8	111.9	L490 E493 T494 V500 L501	L490-R497 HydrophobicContact CD1-CB 4Å; L490-R497 HydrophobicContact CD1-CG 4.04Å; L490-R497 HydrophobicContact CD2-CB 4.48Å; L490-R497 HydrophobicContact CG-CB 4.14Å; L490-R497 HydrophobicContact CG-CG 3.89Å; L490-R497 PolarHBondContact O-NE 2.81Å; E493-R497 VanDerWaalsContact O-CG 3.31Å; E493-R497 WeakPolarHBondContact O-CG 3.45Å; E493-R497 PolarHBondContact O-N 3.16Å; T494-R497 PolarHBondContact O-N 3.39Å; T494-R497 VanDerWaalsContact O-N 3.08Å; R497-V500 PolarHBondContact O-N 3.46Å; R497-L501 WeakPolarHBondContact O-CG 3.39Å; R497-L501 PolarHBondContact O-N 2.95Å
498	E	87.3	Confident	85.5	Confident	18 Å²	18	32.6 Å²	32.6	8%	0.084	16%	0.155	C	C	.	.	H	α-helix	trans	-63.8	-45.3	178.7	-165	-178.9	145.8	0	0	111.5	S287 F290 T494 E496 V500 L501 A502 H523	S287-E498 VanDerWaalsContact CA-OE1 3.3Å; S287-E498 WeakPolarHBondContact CA-OE1 3.29Å; S287-E498 VanDerWaalsContact CA-OE2 3.3Å; S287-E498 WeakPolarHBondContact CA-OE2 3.31Å; S287-E498 WeakPolarHBondContact CB-OE1 3.42Å; S287-E498 WeakPolarHBondContact CB-OE2 3.38Å; S287-E498 PolarHBondContact OG-OE1 2.94Å; F290-E498 HydrophobicContact CD1-CB 3.88Å; F290-E498 HydrophobicContact CD1-CG 3.87Å; F290-E498 WeakPolarHBondContact CD1-OE2 3.42Å; F290-E498 HydrophobicContact CE1-CB 3.8Å; F290-E498 HydrophobicContact CE1-CG 4.08Å; T494-E498 WeakPolarHBondContact O-CB 3.48Å; T494-E498 PolarHBondContact O-N 3.43Å; E496-E498 VanDerWaalsContact C-N 3.31Å; E496-E498 PolarHBondContact O-N 3.11Å; E498-V500 VanDerWaalsContact C-N 3.3Å; E498-V500 PolarHBondContact O-N 2.88Å; E498-L501 CarbonylContact O-C 3.55Å; E498-L501 PolarHBondContact O-N 3Å; E498-A502 WeakPolarHBondContact O-CB 3.39Å; E498-A502 PolarHBondContact O-N 2.92Å; E498-H523 IonicContact OE1-NE2 3.68Å
499	R	89.6	Confident	85.8	Confident	73 Å²	73	35.5 Å²	35.5	28%	0.275	17%	0.166	S	C	.	.	H	α-helix	trans	-57.8	-41.9	175.3	-73.4	-175.3	-63.6	-97.6	4.1	111.9	S453 Q495 E496 A502 H503	S453-R499 PolarHBondContact O-NE 3.23Å; S453-R499 PolarHBondContact O-NH2 3.46Å; S453-R499 VanDerWaalsContact O-NH2 3.09Å; Q495-R499 WeakPolarHBondContact O-CG 3.48Å; Q495-R499 PolarHBondContact O-N 2.67Å; Q495-R499 PolarHBondContact O-NH1 2.88Å; E496-R499 PolarHBondContact O-N 2.99Å; R499-A502 PolarHBondContact O-N 2.75Å; R499-H503 PolarHBondContact O-CD2 3.24Å; R499-H503 PolarHBondContact O-N 3.2Å
500	V	91.6	Very high	86.3	Confident	3 Å²	3	40 Å²	40	2%	0.018	19%	0.187	C	C	.	.	H	α-helix	trans	-63.7	-40.8	174.4	178	0	0	0	0	112	L452 F484 F488 L490 E496 R497 E498 F504	L452-V500 HydrophobicContact CB-CG2 3.83Å; L452-V500 HydrophobicContact CD1-CG1 4.47Å; F484-V500 HydrophobicContact CE1-CG1 4.05Å; F484-V500 HydrophobicContact CZ-CG1 3.69Å; F488-V500 HydrophobicContact CE2-CG1 3.85Å; F488-V500 HydrophobicContact CZ-CG1 3.69Å; L490-V500 HydrophobicContact CD1-CB 4.1Å; L490-V500 HydrophobicContact CD1-CG1 4Å; E496-V500 WeakPolarHBondContact O-CG2 3.43Å; E496-V500 PolarHBondContact O-N 3.21Å; R497-V500 PolarHBondContact O-N 3.46Å; E498-V500 VanDerWaalsContact C-N 3.3Å; E498-V500 PolarHBondContact O-N 2.88Å; V500-F504 PolarHBondContact O-N 2.93Å
501	L	92.3	Very high	86.6	Confident	0 Å²	0	40.7 Å²	40.7	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-71.2	-29.1	175.8	-68.4	173	0	0	0	113.2	F290 L481 L490 R497 E498 F504 S505 T526 M530	F290-L501 HydrophobicContact CE1-CD1 4.47Å; F290-L501 HydrophobicContact CZ-CD1 3.88Å; L481-L501 HydrophobicContact CD1-CD2 3.95Å; L490-L501 HydrophobicContact CD2-CD1 4.31Å; L490-L501 HydrophobicContact CD2-CD2 4.25Å; L490-L501 HydrophobicContact CD2-CG 4.32Å; R497-L501 WeakPolarHBondContact O-CG 3.39Å; R497-L501 PolarHBondContact O-N 2.95Å; E498-L501 CarbonylContact O-C 3.55Å; E498-L501 PolarHBondContact O-N 3Å; L501-F504 WeakPolarHBondContact O-CB 3.32Å; L501-F504 PolarHBondContact O-N 2.68Å; L501-S505 WeakPolarHBondContact O-CB 3.4Å; L501-S505 PolarHBondContact O-N 2.86Å; L501-S505 PolarHBondContact O-OG 2.88Å; L501-T526 HydrophobicContact CB-CG2 4.46Å; L501-T526 HydrophobicContact CD2-CG2 4.03Å; L501-M530 HydrophobicContact CD1-CG 4.11Å
502	A	91.6	Very high	87.3	Confident	31 Å²	31	36.4 Å²	36.4	26%	0.256	17%	0.17	S	C	.	.	H	α-helix	trans	-66	-44.2	174.2	0	0	0	0	0	111.1	E498 R499 F504 S505 R506	E498-A502 WeakPolarHBondContact O-CB 3.39Å; E498-A502 PolarHBondContact O-N 2.92Å; R499-A502 PolarHBondContact O-N 2.75Å; A502-F504 PolarHBondContact O-N 2.98Å; A502-S505 WeakPolarHBondContact O-CB 3.45Å; A502-S505 PolarHBondContact O-N 3.49Å; A502-S505 VanDerWaalsContact O-N 3.17Å; A502-R506 PolarHBondContact O-N 3.19Å
503	H	93.1	Very high	87.9	Confident	23 Å²	23	39 Å²	39	11%	0.106	18%	0.183	C	C	.	.	H	α-helix	trans	-57.5	-46.7	171.2	-70.9	-66.2	0	0	0	111.6	A463 L467 R499 S505 R506 R507	A463-H503 HydrophobicContact CB-CB 4.44Å; L467-H503 HydrophobicContact CD1-CB 3.59Å; L467-H503 WeakPolarHBondContact CD1-O 3.37Å; R499-H503 PolarHBondContact O-CD2 3.24Å; R499-H503 PolarHBondContact O-N 3.2Å; H503-S505 VanDerWaalsContact C-N 3.32Å; H503-S505 PolarHBondContact O-N 2.75Å; H503-R506 PolarHBondContact O-N 2.86Å; H503-R507 PolarHBondContact O-N 3.04Å
504	F	94.6	Very high	88	Confident	0 Å²	0	40.9 Å²	40.9	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-56.5	-44.5	174	165.5	-93.6	0	0	0	112.4	F472 I477 A480 L481 F484 V500 L501 A502 R506 R507 Y508 T526	F472-F504 HydrophobicContact CD2-CE2 4.34Å; F472-F504 HydrophobicContact CE1-CE2 4.21Å; F472-F504 AromaticContact CE2-CD2 3.74Å; F472-F504 HydrophobicContact CE2-CD2 3.74Å; F472-F504 AromaticContact CE2-CE2 3.77Å; F472-F504 HydrophobicContact CE2-CE2 3.77Å; F472-F504 AromaticContact CZ-CD2 3.78Å; F472-F504 HydrophobicContact CZ-CD2 3.78Å; F472-F504 AromaticContact CZ-CE2 3.7Å; F472-F504 HydrophobicContact CZ-CE2 3.7Å; I477-F504 HydrophobicContact CG1-CE1 4.2Å; I477-F504 HydrophobicContact CG1-CZ 4.42Å; A480-F504 HydrophobicContact CB-CE2 3.95Å; A480-F504 HydrophobicContact CB-CZ 3.92Å; L481-F504 HydrophobicContact CB-CE1 4.22Å; L481-F504 HydrophobicContact CB-CE2 4.37Å; L481-F504 HydrophobicContact CB-CZ 3.78Å; L481-F504 HydrophobicContact CD1-CD1 4.16Å; L481-F504 HydrophobicContact CD1-CE1 3.97Å; L481-F504 HydrophobicContact CD1-CE2 4.49Å; L481-F504 HydrophobicContact CD1-CZ 4.14Å; F484-F504 HydrophobicContact CB-CD2 3.78Å; F484-F504 HydrophobicContact CB-CE2 3.98Å; F484-F504 HydrophobicContact CD1-CB 3.81Å; F484-F504 AromaticContact CD1-CD2 3.59Å; F484-F504 HydrophobicContact CD1-CD2 3.59Å; F484-F504 HydrophobicContact CD1-CE2 4.44Å; F484-F504 AromaticContact CD1-CG 3.84Å; F484-F504 HydrophobicContact CD1-CG 3.84Å; F484-F504 HydrophobicContact CD2-CD2 4.4Å; F484-F504 HydrophobicContact CE1-CB 3.59Å; F484-F504 HydrophobicContact CE1-CD2 4.26Å; F484-F504 HydrophobicContact CE1-CG 4.14Å; F484-F504 HydrophobicContact CG-CB 4.46Å; F484-F504 AromaticContact CG-CD2 3.67Å; F484-F504 HydrophobicContact CG-CD2 3.67Å; F484-F504 HydrophobicContact CG-CE2 4.37Å; F484-F504 HydrophobicContact CG-CG 4.36Å; F484-F504 HydrophobicContact CZ-CB 4.07Å; V500-F504 PolarHBondContact O-N 2.93Å; L501-F504 WeakPolarHBondContact O-CB 3.32Å; L501-F504 PolarHBondContact O-N 2.68Å; A502-F504 PolarHBondContact O-N 2.98Å; F504-R506 VanDerWaalsContact C-N 3.34Å; F504-R506 PolarHBondContact O-N 2.88Å; F504-R507 PolarHBondContact O-N 3.31Å; F504-Y508 HydrophobicContact CZ-CD2 4.39Å; F504-Y508 WeakPolarHBondContact O-CB 3.36Å; F504-Y508 PolarHBondContact O-N 3.31Å; F504-T526 HydrophobicContact CD1-CG2 3.81Å; F504-T526 HydrophobicContact CE1-CG2 3.9Å
505	S	93.9	Very high	87.6	Confident	0 Å²	0	42.7 Å²	42.7	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-61.2	-43	-178.3	-54.6	0	0	0	0	111.5	L501 A502 H503 R509 H523	L501-S505 WeakPolarHBondContact O-CB 3.4Å; L501-S505 PolarHBondContact O-N 2.86Å; L501-S505 PolarHBondContact O-OG 2.88Å; A502-S505 WeakPolarHBondContact O-CB 3.45Å; A502-S505 PolarHBondContact O-N 3.49Å; A502-S505 VanDerWaalsContact O-N 3.17Å; H503-S505 VanDerWaalsContact C-N 3.32Å; H503-S505 PolarHBondContact O-N 2.75Å; S505-R509 WeakPolarHBondContact O-CB 3.26Å; S505-R509 PolarHBondContact O-N 3.48Å; S505-R509 VanDerWaalsContact O-N 3.08Å; S505-H523 VanDerWaalsContact OG-CA 3.29Å; S505-H523 WeakPolarHBondContact OG-CA 3.49Å; S505-H523 PolarHBondContact OG-ND1 3Å
506	R	91.9	Very high	86.9	Confident	87 Å²	87	46.6 Å²	46.6	33%	0.328	23%	0.226	S	C	.	.	H	α-helix	trans	-61.2	-47.6	173	-174.4	173.5	-60.6	151.7	13.1	112	A502 H503 F504 R509 Q510 E519	A502-R506 PolarHBondContact O-N 3.19Å; H503-R506 PolarHBondContact O-N 2.86Å; F504-R506 VanDerWaalsContact C-N 3.34Å; F504-R506 PolarHBondContact O-N 2.88Å; R506-R509 PolarHBondContact O-N 3.19Å; R506-Q510 WeakPolarHBondContact O-CG 3.32Å; R506-Q510 PolarHBondContact O-N 3.16Å; R506-E519 HydrophobicContact CB-CG 4.35Å; R506-E519 WeakPolarHBondContact CG-OE2 3.45Å; R506-E519 IonicContact CZ-OE1 2.7Å; R506-E519 VanDerWaalsContact CZ-OE1 3.23Å; R506-E519 IonicContact NE-OE1 3.75Å; R506-E519 PolarHBondContact NE-OE1 3.06Å; R506-E519 IonicContact NE-OE2 3.4Å; R506-E519 PolarHBondContact NE-OE2 2.98Å; R506-E519 IonicContact NH2-OE1 3.58Å; R506-E519 PolarHBondContact NH2-OE1 2.86Å
507	R	93.9	Very high	86.5	Confident	45 Å²	45	45.3 Å²	45.3	17%	0.17	22%	0.222	C	C	.	.	H	α-helix	trans	-65.2	-43.9	179.5	-178.4	62.2	177.1	178.2	-2.6	112.4	L467 E468 F470 F472 H503 F504 R509 Q510 C511	L467-R507 HydrophobicContact CB-CB 4Å; L467-R507 HydrophobicContact CB-CG 3.96Å; L467-R507 HydrophobicContact CD1-CB 3.87Å; L467-R507 HydrophobicContact CG-CB 4.47Å; L467-R507 WeakPolarHBondContact O-CD 3.35Å; L467-R507 PolarHBondContact O-NE 2.93Å; E468-R507 PolarHBondContact O-NH2 3.07Å; E468-R507 VanDerWaalsContact O-NH2 3.14Å; F470-R507 PolarHBondContact O-NE 3.31Å; F470-R507 PolarHBondContact O-NH2 3.03Å; F472-R507 HydrophobicContact CD2-CB 4.4Å; F472-R507 HydrophobicContact CD2-CG 3.79Å; F472-R507 HydrophobicContact CE2-CB 4.19Å; F472-R507 HydrophobicContact CE2-CG 3.73Å; H503-R507 PolarHBondContact O-N 3.04Å; F504-R507 PolarHBondContact O-N 3.31Å; R507-R509 VanDerWaalsContact C-N 3.27Å; R507-R509 PolarHBondContact O-N 3.47Å; R507-Q510 WeakPolarHBondContact O-CB 3.35Å; R507-Q510 PolarHBondContact O-N 3.18Å; R507-C511 PolarHBondContact O-N 2.95Å
508	Y	93.2	Very high	86.4	Confident	18 Å²	18	47 Å²	47	7%	0.071	24%	0.235	C	C	.	.	H	α-helix	trans	-57.8	-42.4	175.8	179.8	-90	0	0	0	111.3	F472 M475 I477 A480 F504 C511 N512 V522	F472-Y508 HydrophobicContact CB-CD2 4.14Å; M475-Y508 WeakPolarHBondContact O-CE2 3.42Å; M475-Y508 PolarHBondContact O-OH 2.98Å; I477-Y508 VanDerWaalsContact CA-CE2 3.45Å; I477-Y508 HydrophobicContact CB-CE1 4.1Å; I477-Y508 HydrophobicContact CB-CE2 3.93Å; I477-Y508 HydrophobicContact CD1-CD1 4.49Å; I477-Y508 HydrophobicContact CD1-CE1 4.45Å; I477-Y508 HydrophobicContact CG1-CD1 4.38Å; I477-Y508 HydrophobicContact CG1-CD2 4.42Å; I477-Y508 HydrophobicContact CG1-CE1 4.29Å; I477-Y508 HydrophobicContact CG1-CE2 4.32Å; I477-Y508 HydrophobicContact CG1-CG 4.45Å; I477-Y508 PolarHBondContact N-OH 2.61Å; I477-Y508 VanDerWaalsContact N-OH 3.14Å; A480-Y508 HydrophobicContact CB-CD2 3.62Å; A480-Y508 HydrophobicContact CB-CE2 3.87Å; F504-Y508 HydrophobicContact CZ-CD2 4.39Å; F504-Y508 WeakPolarHBondContact O-CB 3.36Å; F504-Y508 PolarHBondContact O-N 3.31Å; Y508-C511 PolarHBondContact O-N 3.16Å; Y508-N512 PolarHBondContact O-N 3.44Å; Y508-N512 VanDerWaalsContact O-N 3.14Å; Y508-N512 PolarHBondContact O-ND2 3.44Å; Y508-V522 HydrophobicContact CD1-CG1 3.7Å; Y508-V522 HydrophobicContact CD1-CG2 4.39Å; Y508-V522 HydrophobicContact CG-CG1 4.4Å
509	R	90.6	Very high	86.3	Confident	66 Å²	66	49.6 Å²	49.6	25%	0.249	25%	0.248	C	C	.	.	H	α-helix	trans	-65.7	-39.5	176	176	60.1	-157.9	152.9	3.4	113	S505 R506 R507 N512 P513 T515 S517	S505-R509 WeakPolarHBondContact O-CB 3.26Å; S505-R509 PolarHBondContact O-N 3.48Å; S505-R509 VanDerWaalsContact O-N 3.08Å; R506-R509 PolarHBondContact O-N 3.19Å; R507-R509 VanDerWaalsContact C-N 3.27Å; R507-R509 PolarHBondContact O-N 3.47Å; R509-N512 PolarHBondContact NH1-O 2.89Å; R509-N512 VanDerWaalsContact NH1-O 3.11Å; R509-N512 CarbonylContact O-C 3.59Å; R509-N512 PolarHBondContact O-N 3.42Å; R509-P513 VanDerWaalsContact CZ-O 3.31Å; R509-P513 PolarHBondContact NH1-O 3.26Å; R509-P513 PolarHBondContact NH2-O 2.92Å; R509-T515 PolarHBondContact NH1-O 2.95Å; R509-T515 PolarHBondContact NH1-OG1 3.22Å; R509-S517 WeakPolarHBondContact CD-O 3.3Å
510	Q	90.8	Very high	86	Confident	96 Å²	96	47.4 Å²	47.4	45%	0.449	25%	0.247	S	C	.	.	H	α-helix	trans	-63.6	-39.1	174.2	-72.4	169.4	-9.7	0	0	112.4	R506 R507	R506-Q510 WeakPolarHBondContact O-CG 3.32Å; R506-Q510 PolarHBondContact O-N 3.16Å; R507-Q510 WeakPolarHBondContact O-CB 3.35Å; R507-Q510 PolarHBondContact O-N 3.18Å
511	C	90.8	Very high	85.8	Confident	13 Å²	13	47.3 Å²	47.3	9%	0.088	25%	0.247	C	C	.	.	H	α-helix	trans	-74.5	-22.3	179.4	-75.5	0	0	0	0	114.3	F472 S473 R507 Y508 P513	F472-C511 HydrophobicContact CB-CB 3.89Å; S473-C511 WeakPolarHBondContact CA-O 3.39Å; S473-C511 WeakPolarHBondContact CB-O 3.34Å; S473-C511 PolarHBondContact OG-O 3.31Å; R507-C511 PolarHBondContact O-N 2.95Å; Y508-C511 PolarHBondContact O-N 3.16Å; C511-P513 VanDerWaalsContact C-CD 3.5Å
512	N	88.6	Confident	85.8	Confident	5 Å²	5	47.6 Å²	47.6	3%	0.027	25%	0.248	C	C	.	.			trans	-130.9	61.6	-173.5	-59.1	-79.4	0	0	0	111.9	F472 S473 G474 Y508 R509 E514 T515	F472-N512 PolarHBondContact O-ND2 3.12Å; F472-N512 PolarHBondContact O-OD1 3.04Å; S473-N512 WeakPolarHBondContact CA-OD1 3.48Å; G474-N512 PolarHBondContact N-OD1 3.41Å; Y508-N512 PolarHBondContact O-N 3.44Å; Y508-N512 VanDerWaalsContact O-N 3.14Å; Y508-N512 PolarHBondContact O-ND2 3.44Å; R509-N512 PolarHBondContact NH1-O 2.89Å; R509-N512 VanDerWaalsContact NH1-O 3.11Å; R509-N512 CarbonylContact O-C 3.59Å; R509-N512 PolarHBondContact O-N 3.42Å; N512-E514 VanDerWaalsContact C-N 3.27Å; N512-E514 WeakPolarHBondContact CA-OE1 3.24Å; N512-E514 WeakPolarHBondContact CB-OE1 3.34Å; N512-E514 PolarHBondContact O-N 3.42Å; N512-T515 HydrophobicContact CB-CG2 3.98Å; N512-T515 PolarHBondContact O-N 3.28Å; N512-T515 PolarHBondContact O-OG1 3.06Å
513	P	80.6	Confident	85.7	Confident	78 Å²	78	47 Å²	47	51%	0.506	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-23.5	-171.4	27.5	-36.3	0	0	0	114.5	R509 C511 T515	R509-P513 VanDerWaalsContact CZ-O 3.31Å; R509-P513 PolarHBondContact NH1-O 3.26Å; R509-P513 PolarHBondContact NH2-O 2.92Å; C511-P513 VanDerWaalsContact C-CD 3.5Å; P513-T515 VanDerWaalsContact C-N 3.27Å; P513-T515 PolarHBondContact O-N 2.66Å
514	E	73.5	Confident	85.5	Confident	130 Å²	130	46.8 Å²	46.8	61%	0.607	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.9	-14.1	174.6	64.1	-60.7	127.1	0	0	114.5	N512	N512-E514 VanDerWaalsContact C-N 3.27Å; N512-E514 WeakPolarHBondContact CA-OE1 3.24Å; N512-E514 WeakPolarHBondContact CB-OE1 3.34Å; N512-E514 PolarHBondContact O-N 3.42Å
515	T	69	Low	85.3	Confident	44 Å²	44	47.1 Å²	47.1	27%	0.27	24%	0.243	S	C	.	.	S	Bend	trans	-65.8	138.5	171.6	58.1	0	0	0	0	111.2	R509 N512 P513 S517	R509-T515 PolarHBondContact NH1-O 2.95Å; R509-T515 PolarHBondContact NH1-OG1 3.22Å; N512-T515 HydrophobicContact CB-CG2 3.98Å; N512-T515 PolarHBondContact O-N 3.28Å; N512-T515 PolarHBondContact O-OG1 3.06Å; P513-T515 VanDerWaalsContact C-N 3.27Å; P513-T515 PolarHBondContact O-N 2.66Å; T515-S517 VanDerWaalsContact C-N 3.26Å; T515-S517 PolarHBondContact O-N 3.49Å
516	L	58.9	Low	85.3	Confident	174 Å²	174	47.1 Å²	47.1	91%	0.911	24%	0.243	S	C	*	.	S	Bend	trans	-86.1	23.5	-174.3	-64.6	178.2	0	0	0	114.6
517	S	74.6	Confident	85.1	Confident	20 Å²	20	43 Å²	43	14%	0.14	23%	0.227	C	C	.	.			trans	-116	144	-178.6	-71.7	0	0	0	0	111.8	R509 T515 N558	R509-S517 WeakPolarHBondContact CD-O 3.3Å; T515-S517 VanDerWaalsContact C-N 3.26Å; T515-S517 PolarHBondContact O-N 3.49Å; S517-N558 PolarHBondContact OG-OD1 3.21Å
518	T	84	Confident	84.9	Confident	63 Å²	63	41.5 Å²	41.5	39%	0.387	22%	0.224	S	C	.	.			trans	-72.2	170.7	173.6	65	0	0	0	0	112	G520 S521 V522 D559	T518-G520 VanDerWaalsContact C-N 3.26Å; T518-G520 PolarHBondContact O-N 2.76Å; T518-G520 PolarHBondContact OG1-N 3.09Å; T518-S521 PolarHBondContact O-N 3.47Å; T518-S521 PolarHBondContact OG1-N 2.72Å; T518-S521 VanDerWaalsContact OG1-N 3.09Å; T518-S521 PolarHBondContact OG1-OG 3.07Å; T518-V522 WeakPolarHBondContact O-CG2 3.31Å; T518-V522 PolarHBondContact O-N 2.57Å; T518-D559 WeakPolarHBondContact CB-OD2 3.42Å; T518-D559 WeakPolarHBondContact CG2-OD2 3.48Å; T518-D559 VanDerWaalsContact OG1-CG 3.28Å; T518-D559 PolarHBondContact OG1-OD1 3.22Å; T518-D559 VanDerWaalsContact OG1-OD1 3.07Å; T518-D559 PolarHBondContact OG1-OD2 3.28Å
519	E	85.2	Confident	84.8	Confident	73 Å²	73	40.7 Å²	40.7	34%	0.341	22%	0.221	S	C	.	.	H	α-helix	trans	-55.5	-41.1	170.5	-175.2	172	144.3	0	0	111.8	R506 V522 H523	R506-E519 HydrophobicContact CB-CG 4.35Å; R506-E519 WeakPolarHBondContact CG-OE2 3.45Å; R506-E519 IonicContact CZ-OE1 2.7Å; R506-E519 VanDerWaalsContact CZ-OE1 3.23Å; R506-E519 IonicContact NE-OE1 3.75Å; R506-E519 PolarHBondContact NE-OE1 3.06Å; R506-E519 IonicContact NE-OE2 3.4Å; R506-E519 PolarHBondContact NE-OE2 2.98Å; R506-E519 IonicContact NH2-OE1 3.58Å; R506-E519 PolarHBondContact NH2-OE1 2.86Å; E519-V522 PolarHBondContact O-N 3.47Å; E519-H523 WeakPolarHBondContact O-CB 3.34Å; E519-H523 PolarHBondContact O-N 3.16Å
520	G	83.4	Confident	84.7	Confident	26 Å²	26	37.6 Å²	37.6	27%	0.268	21%	0.21	S	C	.	.	H	α-helix	trans	-65.6	-41.1	176.8	0	0	0	0	0	113.3	T518 H523 T524	T518-G520 VanDerWaalsContact C-N 3.26Å; T518-G520 PolarHBondContact O-N 2.76Å; T518-G520 PolarHBondContact OG1-N 3.09Å; G520-H523 PolarHBondContact O-N 3.38Å; G520-T524 WeakPolarHBondContact O-CB 3.49Å; G520-T524 PolarHBondContact O-N 2.79Å; G520-T524 PolarHBondContact O-OG1 3.44Å
521	S	88	Confident	84.5	Confident	2 Å²	2	34.9 Å²	34.9	1%	0.014	20%	0.198	C	C	.	.	H	α-helix	trans	-70.9	-36.2	176.3	-72.4	0	0	0	0	112.9	T518 L525 N558 D559 F563	T518-S521 PolarHBondContact O-N 3.47Å; T518-S521 PolarHBondContact OG1-N 2.72Å; T518-S521 VanDerWaalsContact OG1-N 3.09Å; T518-S521 PolarHBondContact OG1-OG 3.07Å; S521-L525 WeakPolarHBondContact O-CB 3.45Å; S521-L525 PolarHBondContact O-N 3.08Å; S521-N558 VanDerWaalsContact CB-OD1 3.31Å; S521-N558 WeakPolarHBondContact CB-OD1 3.48Å; S521-N558 WeakPolarHBondContact OG-CA 3.49Å; S521-N558 PolarHBondContact OG-OD1 2.92Å; S521-D559 WeakPolarHBondContact CB-OD2 3.36Å; S521-D559 PolarHBondContact OG-N 3.12Å; S521-D559 VanDerWaalsContact OG-N 3.16Å; S521-D559 PolarHBondContact OG-OD2 2.8Å; S521-F563 WeakPolarHBondContact O-CZ 3.29Å
522	V	91.4	Very high	84.4	Confident	5 Å²	5	34.4 Å²	34.4	3%	0.03	19%	0.194	C	C	.	.	H	α-helix	trans	-64.2	-41.1	170.5	170.4	0	0	0	0	111	I477 Y508 T518 E519 L525 T526	I477-V522 HydrophobicContact CD1-CG1 3.92Å; Y508-V522 HydrophobicContact CD1-CG1 3.7Å; Y508-V522 HydrophobicContact CD1-CG2 4.39Å; Y508-V522 HydrophobicContact CG-CG1 4.4Å; T518-V522 WeakPolarHBondContact O-CG2 3.31Å; T518-V522 PolarHBondContact O-N 2.57Å; E519-V522 PolarHBondContact O-N 3.47Å; V522-L525 PolarHBondContact O-N 2.78Å; V522-T526 WeakPolarHBondContact O-CB 3.45Å; V522-T526 PolarHBondContact O-N 2.69Å; V522-T526 PolarHBondContact O-OG1 3.11Å
523	H	90.2	Very high	84.4	Confident	19 Å²	19	34.3 Å²	34.3	9%	0.088	19%	0.194	C	C	.	.	H	α-helix	trans	-66.1	-46.9	177.1	-173.6	64.9	0	0	0	112.4	E498 S505 E519 G520 L525 T526 C527	E498-H523 IonicContact OE1-NE2 3.68Å; S505-H523 VanDerWaalsContact OG-CA 3.29Å; S505-H523 WeakPolarHBondContact OG-CA 3.49Å; S505-H523 PolarHBondContact OG-ND1 3Å; E519-H523 WeakPolarHBondContact O-CB 3.34Å; E519-H523 PolarHBondContact O-N 3.16Å; G520-H523 PolarHBondContact O-N 3.38Å; H523-L525 VanDerWaalsContact C-N 3.27Å; H523-L525 PolarHBondContact O-N 3.28Å; H523-T526 WeakPolarHBondContact O-CB 3.26Å; H523-T526 PolarHBondContact O-N 3.37Å; H523-T526 VanDerWaalsContact O-N 3.1Å; H523-C527 PolarHBondContact O-N 3.33Å
524	T	88.9	Confident	84.5	Confident	19 Å²	19	31.4 Å²	31.4	12%	0.117	18%	0.175	C	C	.	.	H	α-helix	trans	-54.5	-44.7	174.5	-59.3	0	0	0	0	111.2	F286 G520 A528 L557	F286-T524 HydrophobicContact CD2-CG2 4.46Å; F286-T524 HydrophobicContact CE2-CG2 3.9Å; F286-T524 HydrophobicContact CZ-CG2 4.02Å; G520-T524 WeakPolarHBondContact O-CB 3.49Å; G520-T524 PolarHBondContact O-N 2.79Å; G520-T524 PolarHBondContact O-OG1 3.44Å; T524-A528 VanDerWaalsContact O-CB 3.3Å; T524-A528 WeakPolarHBondContact O-CB 3.12Å; T524-A528 PolarHBondContact O-N 3.17Å; T524-L557 HydrophobicContact CG2-CB 4.18Å; T524-L557 HydrophobicContact CG2-CD1 4.49Å
525	L	91	Very high	84.9	Confident	7 Å²	7	26.9 Å²	26.9	4%	0.037	16%	0.155	C	C	.	.	H	α-helix	trans	-68.5	-38.3	177.5	-171.6	60.1	0	0	0	112.8	I477 S521 V522 H523 A528 V529 L554 F563 L567 L568 L571	I477-L525 HydrophobicContact CD1-CB 4.32Å; I477-L525 HydrophobicContact CD1-CD2 4.26Å; I477-L525 HydrophobicContact CD1-CG 4.29Å; I477-L525 HydrophobicContact CG2-CD2 4.2Å; I477-L525 HydrophobicContact CG2-CG 4.5Å; S521-L525 WeakPolarHBondContact O-CB 3.45Å; S521-L525 PolarHBondContact O-N 3.08Å; V522-L525 PolarHBondContact O-N 2.78Å; H523-L525 VanDerWaalsContact C-N 3.27Å; H523-L525 PolarHBondContact O-N 3.28Å; L525-A528 PolarHBondContact O-N 3.17Å; L525-V529 WeakPolarHBondContact O-CB 3.36Å; L525-V529 WeakPolarHBondContact O-CG2 3.3Å; L525-V529 PolarHBondContact O-N 2.9Å; L525-L554 HydrophobicContact CD1-CD1 4.23Å; L525-F563 HydrophobicContact CB-CE1 4.2Å; L525-F563 HydrophobicContact CB-CZ 4.23Å; L525-F563 HydrophobicContact CD2-CD1 4.31Å; L525-F563 HydrophobicContact CD2-CE1 4.23Å; L525-L567 HydrophobicContact CD2-CD2 4.12Å; L525-L568 HydrophobicContact CD1-CD2 3.7Å; L525-L571 HydrophobicContact CD1-CD1 3.9Å; L525-L571 HydrophobicContact CD2-CD1 3.87Å; L525-L571 HydrophobicContact CG-CD1 4.04Å
526	T	92.2	Very high	85.6	Confident	0 Å²	0	25.2 Å²	25.2	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-59.3	-50.6	174.2	-58.7	0	0	0	0	111	I477 L481 L501 F504 V522 H523 V529 M530	I477-T526 WeakPolarHBondContact CD1-OG1 3.42Å; L481-T526 HydrophobicContact CD1-CG2 4.09Å; L481-T526 HydrophobicContact CD2-CG2 4.21Å; L501-T526 HydrophobicContact CB-CG2 4.46Å; L501-T526 HydrophobicContact CD2-CG2 4.03Å; F504-T526 HydrophobicContact CD1-CG2 3.81Å; F504-T526 HydrophobicContact CE1-CG2 3.9Å; V522-T526 WeakPolarHBondContact O-CB 3.45Å; V522-T526 PolarHBondContact O-N 2.69Å; V522-T526 PolarHBondContact O-OG1 3.11Å; H523-T526 WeakPolarHBondContact O-CB 3.26Å; H523-T526 PolarHBondContact O-N 3.37Å; H523-T526 VanDerWaalsContact O-N 3.1Å; T526-V529 WeakPolarHBondContact O-CB 3.17Å; T526-V529 PolarHBondContact O-N 3.39Å; T526-M530 WeakPolarHBondContact O-CG 3.46Å; T526-M530 PolarHBondContact O-N 2.97Å
527	C	88.9	Confident	86.7	Confident	0 Å²	0	20 Å²	20	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-67	-39.1	179.7	-69	0	0	0	0	111.6	F286 F290 H523 V529 M530 L531	F286-C527 HydrophobicContact CE1-CB 3.62Å; F286-C527 HydrophobicContact CZ-CB 3.77Å; F290-C527 HydrophobicContact CD2-CB 3.78Å; F290-C527 HydrophobicContact CE2-CB 3.85Å; F290-C527 HydrophobicContact CG-CB 4.49Å; H523-C527 PolarHBondContact O-N 3.33Å; C527-V529 VanDerWaalsContact C-N 3.31Å; C527-V529 PolarHBondContact O-N 2.93Å; C527-M530 PolarHBondContact O-N 3.46Å; C527-L531 WeakPolarHBondContact O-CG 3.3Å; C527-L531 PolarHBondContact O-N 2.91Å
528	A	89.1	Confident	86.5	Confident	14 Å²	14	20 Å²	20	12%	0.116	12%	0.119	C	C	.	.	H	α-helix	trans	-61.7	-36	172.5	0	0	0	0	0	113.1	T524 L525 L532 F550 L554	T524-A528 VanDerWaalsContact O-CB 3.3Å; T524-A528 WeakPolarHBondContact O-CB 3.12Å; T524-A528 PolarHBondContact O-N 3.17Å; L525-A528 PolarHBondContact O-N 3.17Å; A528-L532 WeakPolarHBondContact O-CB 3.07Å; A528-L532 PolarHBondContact O-N 3.17Å; A528-F550 HydrophobicContact CB-CE2 4.38Å; A528-L554 HydrophobicContact CB-CD1 4.31Å; A528-L554 HydrophobicContact CB-CD2 3.81Å
529	V	91	Very high	85.2	Confident	1 Å²	1	24.5 Å²	24.5	1%	0.006	14%	0.14	C	C	.	.	H	α-helix	trans	-68.7	-41.3	174.3	159.2	0	0	0	0	111.9	L481 L525 T526 C527 L531 L532 N533 L571 I575 L580	L481-V529 HydrophobicContact CD2-CG1 3.73Å; L525-V529 WeakPolarHBondContact O-CB 3.36Å; L525-V529 WeakPolarHBondContact O-CG2 3.3Å; L525-V529 PolarHBondContact O-N 2.9Å; T526-V529 WeakPolarHBondContact O-CB 3.17Å; T526-V529 PolarHBondContact O-N 3.39Å; C527-V529 VanDerWaalsContact C-N 3.31Å; C527-V529 PolarHBondContact O-N 2.93Å; V529-L531 VanDerWaalsContact C-N 3.35Å; V529-L531 PolarHBondContact O-N 3.49Å; V529-L532 PolarHBondContact O-N 3.45Å; V529-N533 PolarHBondContact O-N 3.02Å; V529-L571 HydrophobicContact CG2-CB 4.44Å; V529-L571 HydrophobicContact CG2-CD1 4.34Å; V529-I575 HydrophobicContact CG1-CD1 3.6Å; V529-I575 HydrophobicContact CG1-CG1 3.97Å; V529-L580 HydrophobicContact CG1-CD1 3.96Å
530	M	88.5	Confident	83.8	Confident	1 Å²	1	23.6 Å²	23.6	1%	0.005	14%	0.138	C	C	.	.	H	α-helix	trans	-62	-41	173.5	-71.5	-65.6	-68.5	0	0	112.2	L481 L485 L490 L501 T526 C527 T534 L580 W582	L481-M530 HydrophobicContact CD2-CG 4.27Å; L481-M530 HydrophobicContact CD2-SD 4.05Å; L485-M530 HydrophobicContact CD1-CE 4.45Å; L485-M530 HydrophobicContact CD1-SD 3.85Å; L490-M530 HydrophobicContact CD2-CE 3.66Å; L501-M530 HydrophobicContact CD1-CG 4.11Å; T526-M530 WeakPolarHBondContact O-CG 3.46Å; T526-M530 PolarHBondContact O-N 2.97Å; C527-M530 PolarHBondContact O-N 3.46Å; M530-T534 PolarHBondContact O-N 3.41Å; M530-T534 PolarHBondContact O-OG1 3.37Å; M530-L580 HydrophobicContact SD-CD1 3.75Å; M530-W582 HydrophobicContact CE-CB 4.26Å; M530-W582 HydrophobicContact CE-CD2 4.25Å; M530-W582 HydrophobicContact CE-CG 4.02Å
531	L	86.8	Confident	81.9	Confident	39 Å²	39	27.6 Å²	27.6	20%	0.204	16%	0.157	C	C	.	.	H	α-helix	trans	-67.9	-41.5	174.5	-67.5	-177.8	0	0	0	112	F290 I293 M294 C527 V529 T534 D535	F290-L531 HydrophobicContact CD2-CG 4.48Å; I293-L531 HydrophobicContact CB-CD2 4.14Å; I293-L531 HydrophobicContact CD1-CD1 3.93Å; I293-L531 HydrophobicContact CG2-CD2 3.51Å; M294-L531 HydrophobicContact SD-CD2 4.49Å; C527-L531 WeakPolarHBondContact O-CG 3.3Å; C527-L531 PolarHBondContact O-N 2.91Å; V529-L531 VanDerWaalsContact C-N 3.35Å; V529-L531 PolarHBondContact O-N 3.49Å; L531-T534 CarbonylContact O-C 3.52Å; L531-T534 WeakPolarHBondContact O-CA 3.42Å; L531-T534 WeakPolarHBondContact O-CB 3.29Å; L531-T534 PolarHBondContact O-N 3.03Å; L531-T534 VanDerWaalsContact O-N 3.12Å; L531-D535 PolarHBondContact O-N 3.42Å
532	L	88.6	Confident	80.4	Confident	2 Å²	2	30.2 Å²	30.2	1%	0.01	18%	0.184	C	C	.	.	H	α-helix	trans	-63.2	-42.4	176.7	-178.9	67.9	0	0	0	112.3	A528 V529 T534 D535 L536 M545 F550 Y572 I575	A528-L532 WeakPolarHBondContact O-CB 3.07Å; A528-L532 PolarHBondContact O-N 3.17Å; V529-L532 PolarHBondContact O-N 3.45Å; L532-T534 PolarHBondContact O-N 2.87Å; L532-D535 PolarHBondContact O-N 3.41Å; L532-L536 HydrophobicContact CD1-CD1 3.9Å; L532-L536 HydrophobicContact CD1-CD2 4.39Å; L532-L536 HydrophobicContact CD1-CG 3.88Å; L532-L536 HydrophobicContact CD2-CD1 4.32Å; L532-L536 HydrophobicContact CG-CD1 3.88Å; L532-L536 HydrophobicContact CG-CG 4.18Å; L532-L536 WeakPolarHBondContact O-CB 3.2Å; L532-L536 WeakPolarHBondContact O-CG 3.43Å; L532-L536 PolarHBondContact O-N 3.27Å; L532-M545 HydrophobicContact CD1-SD 4.26Å; L532-F550 HydrophobicContact CB-CD2 4.25Å; L532-F550 HydrophobicContact CB-CE2 3.98Å; L532-F550 HydrophobicContact CD1-CD2 3.98Å; L532-F550 HydrophobicContact CD1-CG 4.37Å; L532-F550 HydrophobicContact CD2-CD1 4.29Å; L532-F550 HydrophobicContact CD2-CD2 3.89Å; L532-F550 HydrophobicContact CD2-CE1 4.2Å; L532-F550 HydrophobicContact CD2-CE2 3.8Å; L532-F550 HydrophobicContact CD2-CG 4.14Å; L532-F550 HydrophobicContact CD2-CZ 3.96Å; L532-F550 HydrophobicContact CG-CD2 4.25Å; L532-F550 HydrophobicContact CG-CE2 4.3Å; L532-Y572 HydrophobicContact CD1-CD2 3.86Å; L532-Y572 HydrophobicContact CD1-CE2 3.98Å; L532-Y572 HydrophobicContact CD2-CD2 3.73Å; L532-Y572 HydrophobicContact CD2-CG 4.29Å; L532-Y572 HydrophobicContact CG-CD2 4.41Å; L532-I575 HydrophobicContact CD2-CB 4.23Å; L532-I575 HydrophobicContact CD2-CG2 4.23Å; L532-I575 HydrophobicContact CG-CG2 4.18Å
533	N	88.1	Confident	79.3	Confident	4 Å²	4	38.8 Å²	38.8	2%	0.021	22%	0.221	C	C	.	.	H	α-helix	trans	-56.4	-40.2	173.4	176.6	66.3	0	0	0	111.3	V529 H537 I575 L580	V529-N533 PolarHBondContact O-N 3.02Å; N533-H537 WeakPolarHBondContact O-CB 3.09Å; N533-H537 PolarHBondContact O-N 3.34Å; N533-H537 PolarHBondContact OD1-CD2 2.79Å; N533-I575 HydrophobicContact CB-CG2 3.78Å; N533-L580 HydrophobicContact CB-CB 4.34Å; N533-L580 HydrophobicContact CB-CD1 3.87Å; N533-L580 HydrophobicContact CB-CG 4.09Å; N533-L580 PolarHBondContact ND2-O 2.87Å; N533-L580 PolarHBondContact OD1-N 3.01Å
534	T	82.7	Confident	78.8	Confident	16 Å²	16	45 Å²	45	10%	0.098	24%	0.244	C	C	.	.	H	α-helix	trans	-73	-33.6	179.1	-52.9	0	0	0	0	112.3	H297 M530 L531 L532 G538 N540	H297-T534 WeakPolarHBondContact CE1-CG2 3.46Å; M530-T534 PolarHBondContact O-N 3.41Å; M530-T534 PolarHBondContact O-OG1 3.37Å; L531-T534 CarbonylContact O-C 3.52Å; L531-T534 WeakPolarHBondContact O-CA 3.42Å; L531-T534 WeakPolarHBondContact O-CB 3.29Å; L531-T534 PolarHBondContact O-N 3.03Å; L531-T534 VanDerWaalsContact O-N 3.12Å; L532-T534 PolarHBondContact O-N 2.87Å; T534-G538 WeakPolarHBondContact O-CA 3.39Å; T534-G538 PolarHBondContact O-N 3.46Å; T534-N540 PolarHBondContact O-ND2 2.87Å
535	D	82.1	Confident	78.5	Confident	36 Å²	36	46 Å²	46	19%	0.193	25%	0.247	C	C	.	.	H	α-helix	trans	-66.3	-50	172	178	98	0	0	0	112	L531 L532 N540 R544 M545	L531-D535 PolarHBondContact O-N 3.42Å; L532-D535 PolarHBondContact O-N 3.41Å; D535-N540 VanDerWaalsContact CA-ND2 3.32Å; D535-N540 WeakPolarHBondContact CA-ND2 3.45Å; D535-N540 PolarHBondContact O-ND2 3.13Å; D535-R544 WeakPolarHBondContact OD2-CA 3.32Å; D535-M545 PolarHBondContact OD1-N 3.26Å; D535-M545 WeakPolarHBondContact OD2-CB 3.34Å; D535-M545 PolarHBondContact OD2-N 3.41Å
536	L	83.8	Confident	78.3	Confident	9 Å²	9	47.4 Å²	47.4	5%	0.047	26%	0.258	C	S	.	.	H	α-helix	trans	-75	-41.4	-173.2	-64.2	-177.2	0	0	0	113	L532 R544 Y572 I575 R576	L532-L536 HydrophobicContact CD1-CD1 3.9Å; L532-L536 HydrophobicContact CD1-CD2 4.39Å; L532-L536 HydrophobicContact CD1-CG 3.88Å; L532-L536 HydrophobicContact CD2-CD1 4.32Å; L532-L536 HydrophobicContact CG-CD1 3.88Å; L532-L536 HydrophobicContact CG-CG 4.18Å; L532-L536 WeakPolarHBondContact O-CB 3.2Å; L532-L536 WeakPolarHBondContact O-CG 3.43Å; L532-L536 PolarHBondContact O-N 3.27Å; L536-R544 HydrophobicContact CD2-CB 4.2Å; L536-R544 PolarHBondContact O-NE 3.01Å; L536-R544 PolarHBondContact O-NH2 3.03Å; L536-R544 VanDerWaalsContact O-NH2 3.15Å; L536-Y572 HydrophobicContact CD1-CE2 4.2Å; L536-Y572 HydrophobicContact CD2-CE2 4.29Å; L536-I575 HydrophobicContact CD1-CG2 4.45Å; L536-R576 HydrophobicContact CD1-CB 3.84Å; L536-R576 HydrophobicContact CD1-CG 4.45Å
537	H	82.1	Confident	78.1	Confident	64 Å²	64	49 Å²	49	30%	0.296	27%	0.269	S	S	.	.	H	α-helix	trans	-109	-6.1	-174.6	-61.3	-66.8	0	0	0	114.7	N533 I575 R576 K579	N533-H537 WeakPolarHBondContact O-CB 3.09Å; N533-H537 PolarHBondContact O-N 3.34Å; N533-H537 PolarHBondContact OD1-CD2 2.79Å; H537-I575 PolarHBondContact CD2-O 3.44Å; H537-I575 PolarHBondContact NE2-O 3.35Å; H537-R576 PolarHBondContact CE1-O 3.22Å; H537-K579 HydrophobicContact CB-CB 4.45Å; H537-K579 HydrophobicContact CB-CD 4.26Å; H537-K579 HydrophobicContact CB-CG 3.94Å
538	G	71.3	Confident	78	Confident	21 Å²	21	52.9 Å²	52.9	22%	0.216	30%	0.296	C	S	.	.	S	Bend	trans	-81.7	165.1	175.9	0	0	0	0	0	114	T534 N540	T534-G538 WeakPolarHBondContact O-CA 3.39Å; T534-G538 PolarHBondContact O-N 3.46Å; G538-N540 PolarHBondContact O-N 3.44Å; G538-N540 PolarHBondContact O-ND2 3.46Å
539	N	56.5	Low	77.7	Confident	157 Å²	157	55.6 Å²	55.6	84%	0.84	31%	0.307	S	S	*	.			trans	-77.7	57.4	-179.1	-63.2	9.1	0	0	0	111.7
540	N	55.7	Low	77.5	Confident	54 Å²	54	55.8 Å²	55.8	29%	0.289	31%	0.307	S	S	.	.			trans	-85.1	122.4	-173.3	-61	-51.8	0	0	0	112	T534 D535 G538 G542	T534-N540 PolarHBondContact O-ND2 2.87Å; D535-N540 VanDerWaalsContact CA-ND2 3.32Å; D535-N540 WeakPolarHBondContact CA-ND2 3.45Å; D535-N540 PolarHBondContact O-ND2 3.13Å; G538-N540 PolarHBondContact O-N 3.44Å; G538-N540 PolarHBondContact O-ND2 3.46Å; N540-G542 PolarHBondContact O-N 3.38Å
541	V	43	Very low	77.5	Confident	109 Å²	109	57.1 Å²	57.1	66%	0.661	31%	0.314	S	S	*	.	S	Bend	trans	-79.1	73.2	174.4	-172.6	0	0	0	0	109
542	G	56.1	Low	77.2	Confident	58 Å²	58	57.1 Å²	57.1	60%	0.598	32%	0.317	S	S	*	.	S	Bend	trans	179.1	-177.6	-176.1	0	0	0	0	0	114	N540	N540-G542 PolarHBondContact O-N 3.38Å
543	K	69.8	Low	77.1	Confident	184 Å²	184	61 Å²	61	80%	0.8	34%	0.338	S	S	*	.			trans	-84.6	114.3	173.4	-179.2	-178.3	176.4	-179.7	0	109.5
544	R	79.6	Confident	76.9	Confident	150 Å²	150	61.3 Å²	61.3	57%	0.566	34%	0.34	S	S	*	.			trans	-45.9	140.6	171.2	-68.7	176	176.5	162.6	-7.2	112.2	D535 L536 S546	D535-R544 WeakPolarHBondContact OD2-CA 3.32Å; L536-R544 HydrophobicContact CD2-CB 4.2Å; L536-R544 PolarHBondContact O-NE 3.01Å; L536-R544 PolarHBondContact O-NH2 3.03Å; L536-R544 VanDerWaalsContact O-NH2 3.15Å; R544-S546 PolarHBondContact O-N 2.89Å
545	M	81.8	Confident	77	Confident	39 Å²	39	64.4 Å²	64.4	19%	0.192	35%	0.353	C	S	.	.			trans	-60.1	128.4	177.3	-168.4	-176.6	-51.7	0	0	110.6	L532 D535 Q549 F550 Y572	L532-M545 HydrophobicContact CD1-SD 4.26Å; D535-M545 PolarHBondContact OD1-N 3.26Å; D535-M545 WeakPolarHBondContact OD2-CB 3.34Å; D535-M545 PolarHBondContact OD2-N 3.41Å; M545-Q549 HydrophobicContact CG-CB 3.63Å; M545-F550 HydrophobicContact CG-CB 4.48Å; M545-F550 VanDerWaalsContact SD-CA 3.59Å; M545-F550 HydrophobicContact SD-CB 3.83Å; M545-F550 HydrophobicContact SD-CD2 4.13Å; M545-Y572 WeakPolarHBondContact O-CE2 3.27Å; M545-Y572 PolarHBondContact O-OH 2.85Å
546	S	86	Confident	76.9	Confident	38 Å²	38	64.2 Å²	64.2	27%	0.266	36%	0.359	S	S	.	.			trans	-84.4	159	172.4	62.7	0	0	0	0	112.2	R544 S548 Q549 F550	R544-S546 PolarHBondContact O-N 2.89Å; S546-S548 PolarHBondContact O-N 2.81Å; S546-S548 VanDerWaalsContact O-N 3.11Å; S546-S548 PolarHBondContact OG-OG 3.27Å; S546-Q549 WeakPolarHBondContact O-CA 3.35Å; S546-Q549 WeakPolarHBondContact O-CB 3.34Å; S546-Q549 PolarHBondContact O-N 3.33Å; S546-Q549 PolarHBondContact OG-OE1 3.31Å; S546-F550 PolarHBondContact O-N 3.23Å
547	C	89.5	Confident	76.8	Confident	32 Å²	32	67.4 Å²	67.4	22%	0.216	38%	0.376	C	S	.	.	H	α-helix	trans	-54.2	-34.9	-179	-172	0	0	0	0	113.6	F550 I551 Y572	C547-F550 PolarHBondContact O-N 2.98Å; C547-I551 WeakPolarHBondContact O-CD1 3.15Å; C547-I551 VanDerWaalsContact O-CG1 3.27Å; C547-I551 WeakPolarHBondContact O-CG1 3.31Å; C547-I551 PolarHBondContact O-N 3Å; C547-Y572 HydrophobicContact CB-CD1 3.56Å; C547-Y572 HydrophobicContact CB-CD2 4.15Å; C547-Y572 HydrophobicContact CB-CE1 3.67Å; C547-Y572 HydrophobicContact CB-CE2 4.21Å; C547-Y572 HydrophobicContact CB-CG 3.84Å; C547-Y572 VanDerWaalsContact N-CZ 3.33Å
548	S	86.1	Confident	76.8	Confident	83 Å²	83	65 Å²	65	58%	0.58	37%	0.366	S	S	*	.	H	α-helix	trans	-72.7	-30.6	176.9	53.2	0	0	0	0	112.9	S546 S552	S546-S548 PolarHBondContact O-N 2.81Å; S546-S548 VanDerWaalsContact O-N 3.11Å; S546-S548 PolarHBondContact OG-OG 3.27Å; S548-S552 WeakPolarHBondContact O-CB 3.32Å; S548-S552 PolarHBondContact O-N 3.5Å
549	Q	82.9	Confident	77.2	Confident	71 Å²	71	68.6 Å²	68.6	33%	0.332	38%	0.38	S	S	.	.	H	α-helix	trans	-70.6	-42.8	170.4	-67.4	166.6	-88	0	0	111	M545 S546 I551 S552 N553	M545-Q549 HydrophobicContact CG-CB 3.63Å; S546-Q549 WeakPolarHBondContact O-CA 3.35Å; S546-Q549 WeakPolarHBondContact O-CB 3.34Å; S546-Q549 PolarHBondContact O-N 3.33Å; S546-Q549 PolarHBondContact OG-OE1 3.31Å; Q549-I551 VanDerWaalsContact C-N 3.32Å; Q549-I551 PolarHBondContact O-N 3.32Å; Q549-S552 PolarHBondContact O-N 2.78Å; Q549-S552 VanDerWaalsContact O-N 3.17Å; Q549-N553 WeakPolarHBondContact O-CB 3.3Å; Q549-N553 PolarHBondContact O-N 3.36Å; Q549-N553 PolarHBondContact O-ND2 3.15Å; Q549-N553 PolarHBondContact O-OD1 2.93Å
550	F	87.7	Confident	78.1	Confident	5 Å²	5	64.4 Å²	64.4	2%	0.022	37%	0.373	C	S	.	.	H	α-helix	trans	-57.9	-44.6	175.2	-179.7	-112.6	0	0	0	111.8	A528 L532 M545 S546 C547 L554 L568 Y572	A528-F550 HydrophobicContact CB-CE2 4.38Å; L532-F550 HydrophobicContact CB-CD2 4.25Å; L532-F550 HydrophobicContact CB-CE2 3.98Å; L532-F550 HydrophobicContact CD1-CD2 3.98Å; L532-F550 HydrophobicContact CD1-CG 4.37Å; L532-F550 HydrophobicContact CD2-CD1 4.29Å; L532-F550 HydrophobicContact CD2-CD2 3.89Å; L532-F550 HydrophobicContact CD2-CE1 4.2Å; L532-F550 HydrophobicContact CD2-CE2 3.8Å; L532-F550 HydrophobicContact CD2-CG 4.14Å; L532-F550 HydrophobicContact CD2-CZ 3.96Å; L532-F550 HydrophobicContact CG-CD2 4.25Å; L532-F550 HydrophobicContact CG-CE2 4.3Å; M545-F550 HydrophobicContact CG-CB 4.48Å; M545-F550 VanDerWaalsContact SD-CA 3.59Å; M545-F550 HydrophobicContact SD-CB 3.83Å; M545-F550 HydrophobicContact SD-CD2 4.13Å; S546-F550 PolarHBondContact O-N 3.23Å; C547-F550 PolarHBondContact O-N 2.98Å; F550-L554 HydrophobicContact CD1-CD1 4.47Å; F550-L554 HydrophobicContact CD2-CD1 4.28Å; F550-L554 HydrophobicContact CE1-CD1 3.98Å; F550-L554 HydrophobicContact CE2-CD1 3.76Å; F550-L554 HydrophobicContact CZ-CD1 3.6Å; F550-L554 PolarHBondContact O-N 3.01Å; F550-L568 HydrophobicContact CD1-CB 4.31Å; F550-L568 HydrophobicContact CE1-CB 4.12Å; F550-L568 HydrophobicContact CE1-CD2 4.15Å; F550-Y572 HydrophobicContact CB-CD2 3.88Å; F550-Y572 HydrophobicContact CB-CE2 4.47Å; F550-Y572 HydrophobicContact CD1-CD2 4.25Å; F550-Y572 HydrophobicContact CG-CD2 4.15Å
551	I	87.6	Confident	79.3	Confident	28 Å²	28	69 Å²	69	14%	0.144	39%	0.391	C	S	.	.	H	α-helix	trans	-61.7	-47.5	173.7	-67.5	162.9	0	0	0	111.4	C547 Q549 N553 L554 E555 K565 L568 K569	C547-I551 WeakPolarHBondContact O-CD1 3.15Å; C547-I551 VanDerWaalsContact O-CG1 3.27Å; C547-I551 WeakPolarHBondContact O-CG1 3.31Å; C547-I551 PolarHBondContact O-N 3Å; Q549-I551 VanDerWaalsContact C-N 3.32Å; Q549-I551 PolarHBondContact O-N 3.32Å; I551-N553 VanDerWaalsContact C-N 3.32Å; I551-N553 PolarHBondContact O-N 3.35Å; I551-L554 PolarHBondContact O-N 3.01Å; I551-L554 VanDerWaalsContact O-N 3.13Å; I551-E555 PolarHBondContact O-N 3.02Å; I551-K565 HydrophobicContact CG2-CD 4.39Å; I551-K565 HydrophobicContact CG2-CG 4.13Å; I551-L568 HydrophobicContact CB-CD1 4.36Å; I551-L568 HydrophobicContact CG1-CB 3.84Å; I551-L568 HydrophobicContact CG1-CD1 4.13Å; I551-L568 HydrophobicContact CG2-CD1 4.43Å; I551-K569 HydrophobicContact CD1-CG 4Å
552	S	81.5	Confident	81.3	Confident	40 Å²	40	67.7 Å²	67.7	28%	0.28	38%	0.38	S	S	.	.	H	α-helix	trans	-73.7	-21.8	-174.7	-163	0	0	0	0	114.4	S548 Q549 L554 E555 K755	S548-S552 WeakPolarHBondContact O-CB 3.32Å; S548-S552 PolarHBondContact O-N 3.5Å; Q549-S552 PolarHBondContact O-N 2.78Å; Q549-S552 VanDerWaalsContact O-N 3.17Å; S552-L554 VanDerWaalsContact C-N 3.3Å; S552-E555 VanDerWaalsContact CA-OE1 3.24Å; S552-E555 WeakPolarHBondContact CA-OE1 3.34Å; S552-E555 VanDerWaalsContact CB-OE1 3.27Å; S552-E555 WeakPolarHBondContact CB-OE1 3.47Å; S552-E555 PolarHBondContact OG-OE1 3.03Å; S552-K755 PolarHBondContact O-NZ 3.01Å
553	N	85	Confident	82.8	Confident	83 Å²	83	65.2 Å²	65.2	44%	0.444	35%	0.353	S	S	.	.	H	α-helix	trans	-75.2	-18.2	171.3	-69.7	-9.3	0	0	0	112.7	Q549 I551	Q549-N553 WeakPolarHBondContact O-CB 3.3Å; Q549-N553 PolarHBondContact O-N 3.36Å; Q549-N553 PolarHBondContact O-ND2 3.15Å; Q549-N553 PolarHBondContact O-OD1 2.93Å; I551-N553 VanDerWaalsContact C-N 3.32Å; I551-N553 PolarHBondContact O-N 3.35Å
554	L	84.2	Confident	83.8	Confident	10 Å²	10	60.2 Å²	60.2	5%	0.052	34%	0.339	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106	7.8	179.8	-67.8	175.5	0	0	0	113.4	L525 A528 F550 I551 S552 G556 L557 F563 L568	L525-L554 HydrophobicContact CD1-CD1 4.23Å; A528-L554 HydrophobicContact CB-CD1 4.31Å; A528-L554 HydrophobicContact CB-CD2 3.81Å; F550-L554 HydrophobicContact CD1-CD1 4.47Å; F550-L554 HydrophobicContact CD2-CD1 4.28Å; F550-L554 HydrophobicContact CE1-CD1 3.98Å; F550-L554 HydrophobicContact CE2-CD1 3.76Å; F550-L554 HydrophobicContact CZ-CD1 3.6Å; F550-L554 PolarHBondContact O-N 3.01Å; I551-L554 PolarHBondContact O-N 3.01Å; I551-L554 VanDerWaalsContact O-N 3.13Å; S552-L554 VanDerWaalsContact C-N 3.3Å; L554-G556 PolarHBondContact O-N 2.9Å; L554-L557 HydrophobicContact CD2-CD1 4.11Å; L554-L557 PolarHBondContact O-N 3.4Å; L554-F563 HydrophobicContact CB-CD2 4.21Å; L554-L568 HydrophobicContact CB-CD1 3.9Å; L554-L568 HydrophobicContact CD1-CD1 3.94Å; L554-L568 HydrophobicContact CD1-CD2 3.63Å; L554-L568 HydrophobicContact CD1-CG 4.42Å
555	E	84.1	Confident	84.3	Confident	82 Å²	82	58.5 Å²	58.5	38%	0.383	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59	128.2	170.7	-75.9	167.1	-157.4	0	0	110.8	I551 S552 L557 D562 K755	I551-E555 PolarHBondContact O-N 3.02Å; S552-E555 VanDerWaalsContact CA-OE1 3.24Å; S552-E555 WeakPolarHBondContact CA-OE1 3.34Å; S552-E555 VanDerWaalsContact CB-OE1 3.27Å; S552-E555 WeakPolarHBondContact CB-OE1 3.47Å; S552-E555 PolarHBondContact OG-OE1 3.03Å; E555-L557 VanDerWaalsContact C-N 3.26Å; E555-L557 PolarHBondContact O-N 3.47Å; E555-D562 VanDerWaalsContact CA-OD1 3.31Å; E555-D562 WeakPolarHBondContact CA-OD1 3.31Å; E555-K755 IonicContact OE2-NZ 2.98Å; E555-K755 PolarHBondContact OE2-NZ 3.12Å
556	G	80.4	Confident	84.8	Confident	31 Å²	31	61.3 Å²	61.3	32%	0.32	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	73.6	-1.4	179.8	0	0	0	0	0	117	L554 G560 K561 D562	L554-G556 PolarHBondContact O-N 2.9Å; G556-G560 CarbonylContact O-C 3.59Å; G556-G560 WeakPolarHBondContact O-CA 3.19Å; G556-G560 PolarHBondContact O-N 3.35Å; G556-K561 CarbonylContact C-O 3.59Å; G556-K561 WeakPolarHBondContact CA-O 3.42Å; G556-K561 PolarHBondContact N-O 2.67Å; G556-D562 PolarHBondContact N-OD1 2.7Å
557	L	82.3	Confident	85.1	Confident	76 Å²	76	62.1 Å²	62.1	40%	0.398	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.4	5.9	-174.5	-63.3	-171.5	0	0	0	115.4	T524 L554 E555 K561 F563	T524-L557 HydrophobicContact CG2-CB 4.18Å; T524-L557 HydrophobicContact CG2-CD1 4.49Å; L554-L557 HydrophobicContact CD2-CD1 4.11Å; L554-L557 PolarHBondContact O-N 3.4Å; E555-L557 VanDerWaalsContact C-N 3.26Å; E555-L557 PolarHBondContact O-N 3.47Å; L557-K561 PolarHBondContact N-O 3.44Å; L557-F563 HydrophobicContact CB-CE2 4.15Å
558	N	82.9	Confident	85.2	Confident	15 Å²	15	60.7 Å²	60.7	8%	0.08	34%	0.343	C	S	.	.	B	Isolated β-bridge	trans	-100.4	74.7	172	-174.9	37.5	0	0	0	108.9	S517 S521 G560 K561 D562 F563	S517-N558 PolarHBondContact OG-OD1 3.21Å; S521-N558 VanDerWaalsContact CB-OD1 3.31Å; S521-N558 WeakPolarHBondContact CB-OD1 3.48Å; S521-N558 WeakPolarHBondContact OG-CA 3.49Å; S521-N558 PolarHBondContact OG-OD1 2.92Å; N558-G560 VanDerWaalsContact C-N 3.33Å; N558-G560 PolarHBondContact O-N 3.31Å; N558-K561 WeakPolarHBondContact CA-O 3.42Å; N558-K561 WeakPolarHBondContact CB-O 3.21Å; N558-K561 PolarHBondContact N-O 2.89Å; N558-K561 WeakPolarHBondContact O-CA 3.43Å; N558-K561 VanDerWaalsContact O-CB 3.31Å; N558-K561 WeakPolarHBondContact O-CB 3.39Å; N558-K561 PolarHBondContact O-N 3.1Å; N558-D562 PolarHBondContact ND2-O 2.82Å; N558-F563 HydrophobicContact CB-CD1 3.83Å; N558-F563 HydrophobicContact CB-CD2 3.82Å; N558-F563 HydrophobicContact CB-CE1 3.8Å; N558-F563 HydrophobicContact CB-CE2 3.79Å; N558-F563 HydrophobicContact CB-CG 3.84Å; N558-F563 HydrophobicContact CB-CZ 3.77Å
559	D	78.6	Confident	85.6	Confident	95 Å²	95	61.1 Å²	61.1	51%	0.508	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.7	44.2	-174.9	-56.6	-74.1	0	0	0	113.8	T518 S521 K561	T518-D559 WeakPolarHBondContact CB-OD2 3.42Å; T518-D559 WeakPolarHBondContact CG2-OD2 3.48Å; T518-D559 VanDerWaalsContact OG1-CG 3.28Å; T518-D559 PolarHBondContact OG1-OD1 3.22Å; T518-D559 VanDerWaalsContact OG1-OD1 3.07Å; T518-D559 PolarHBondContact OG1-OD2 3.28Å; S521-D559 WeakPolarHBondContact CB-OD2 3.36Å; S521-D559 PolarHBondContact OG-N 3.12Å; S521-D559 VanDerWaalsContact OG-N 3.16Å; S521-D559 PolarHBondContact OG-OD2 2.8Å; D559-K561 VanDerWaalsContact C-N 3.32Å
560	G	74.8	Confident	86.2	Confident	69 Å²	69	61.2 Å²	61.2	71%	0.711	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.9	3.1	-176.6	0	0	0	0	0	114.8	G556 N558	G556-G560 CarbonylContact O-C 3.59Å; G556-G560 WeakPolarHBondContact O-CA 3.19Å; G556-G560 PolarHBondContact O-N 3.35Å; N558-G560 VanDerWaalsContact C-N 3.33Å; N558-G560 PolarHBondContact O-N 3.31Å
561	K	81.8	Confident	86.5	Confident	152 Å²	152	61 Å²	61	66%	0.661	34%	0.339	S	S	*	.	B	Isolated β-bridge	trans	-113.5	174.3	173.6	-53.9	170.5	-173.9	166.3	0	110.3	G556 L557 N558 D559	G556-K561 CarbonylContact C-O 3.59Å; G556-K561 WeakPolarHBondContact CA-O 3.42Å; G556-K561 PolarHBondContact N-O 2.67Å; L557-K561 PolarHBondContact N-O 3.44Å; N558-K561 WeakPolarHBondContact CA-O 3.42Å; N558-K561 WeakPolarHBondContact CB-O 3.21Å; N558-K561 PolarHBondContact N-O 2.89Å; N558-K561 WeakPolarHBondContact O-CA 3.43Å; N558-K561 VanDerWaalsContact O-CB 3.31Å; N558-K561 WeakPolarHBondContact O-CB 3.39Å; N558-K561 PolarHBondContact O-N 3.1Å; D559-K561 VanDerWaalsContact C-N 3.32Å
562	D	85.3	Confident	86.8	Confident	81 Å²	81	60.8 Å²	60.8	43%	0.433	34%	0.336	S	S	.	.	P	Polyproline II helix	trans	-81.5	154.2	170.3	-67	-18.8	0	0	0	111.7	E555 G556 N558	E555-D562 VanDerWaalsContact CA-OD1 3.31Å; E555-D562 WeakPolarHBondContact CA-OD1 3.31Å; G556-D562 PolarHBondContact N-OD1 2.7Å; N558-D562 PolarHBondContact ND2-O 2.82Å
563	F	87.8	Confident	87.4	Confident	6 Å²	6	61.5 Å²	61.5	3%	0.026	34%	0.342	C	S	.	.	P	Polyproline II helix	trans	-77.6	151.5	161.4	-68.2	-84.2	0	0	0	110.7	S521 L525 L554 L557 N558 K565 L568	S521-F563 WeakPolarHBondContact O-CZ 3.29Å; L525-F563 HydrophobicContact CB-CE1 4.2Å; L525-F563 HydrophobicContact CB-CZ 4.23Å; L525-F563 HydrophobicContact CD2-CD1 4.31Å; L525-F563 HydrophobicContact CD2-CE1 4.23Å; L554-F563 HydrophobicContact CB-CD2 4.21Å; L557-F563 HydrophobicContact CB-CE2 4.15Å; N558-F563 HydrophobicContact CB-CD1 3.83Å; N558-F563 HydrophobicContact CB-CD2 3.82Å; N558-F563 HydrophobicContact CB-CE1 3.8Å; N558-F563 HydrophobicContact CB-CE2 3.79Å; N558-F563 HydrophobicContact CB-CG 3.84Å; N558-F563 HydrophobicContact CB-CZ 3.77Å; F563-K565 PolarHBondContact O-N 2.81Å; F563-L568 HydrophobicContact CB-CD1 4.03Å; F563-L568 HydrophobicContact CB-CD2 3.88Å; F563-L568 HydrophobicContact CB-CG 3.95Å; F563-L568 HydrophobicContact CG-CD2 4.32Å
564	P	90.3	Very high	87.9	Confident	78 Å²	78	58.8 Å²	58.8	51%	0.506	33%	0.329	S	S	.	.	P	Polyproline II helix	trans	-56.1	123.1	174.1	-24.9	34.6	0	0	0	111.6	D566 L567 L568	P564-D566 PolarHBondContact O-N 2.86Å; P564-D566 VanDerWaalsContact O-N 3.16Å; P564-L567 HydrophobicContact CB-CB 4.15Å; P564-L567 WeakPolarHBondContact O-CB 3.31Å; P564-L567 PolarHBondContact O-N 2.77Å; P564-L568 PolarHBondContact O-N 3.5Å
565	K	91	Very high	88.4	Confident	114 Å²	114	58.3 Å²	58.3	50%	0.496	33%	0.326	S	S	.	.	H	α-helix	trans	-60.7	-32.2	-172.2	-67	-178.4	-179.7	176	0	112.7	I551 F563 L568 K569	I551-K565 HydrophobicContact CG2-CD 4.39Å; I551-K565 HydrophobicContact CG2-CG 4.13Å; F563-K565 PolarHBondContact O-N 2.81Å; K565-L568 PolarHBondContact O-N 2.87Å; K565-K569 VanDerWaalsContact O-CG 3.31Å; K565-K569 WeakPolarHBondContact O-CG 3.34Å; K565-K569 PolarHBondContact O-N 2.94Å
566	D	91.6	Very high	88.7	Confident	99 Å²	99	61.8 Å²	61.8	53%	0.529	34%	0.336	S	S	.	.	H	α-helix	trans	-77.3	-27.4	178.9	-59	-64.4	0	0	0	113.5	P564 K569 T570	P564-D566 PolarHBondContact O-N 2.86Å; P564-D566 VanDerWaalsContact O-N 3.16Å; D566-K569 WeakPolarHBondContact OD1-CD 3.4Å; D566-K569 WeakPolarHBondContact OD1-CE 3.27Å; D566-K569 IonicContact OD1-NZ 2.93Å; D566-K569 PolarHBondContact OD1-NZ 2.64Å; D566-T570 WeakPolarHBondContact O-CB 3.26Å; D566-T570 PolarHBondContact O-N 2.62Å; D566-T570 PolarHBondContact O-OG1 2.81Å
567	L	91.4	Very high	89.3	Confident	54 Å²	54	66.7 Å²	66.7	28%	0.283	36%	0.355	S	S	.	.	H	α-helix	trans	-62.1	-50.1	165.5	175.2	63.9	0	0	0	109.5	L525 P564 K569 T570 L571	L525-L567 HydrophobicContact CD2-CD2 4.12Å; P564-L567 HydrophobicContact CB-CB 4.15Å; P564-L567 WeakPolarHBondContact O-CB 3.31Å; P564-L567 PolarHBondContact O-N 2.77Å; L567-K569 PolarHBondContact O-N 2.71Å; L567-T570 WeakPolarHBondContact O-CB 3.24Å; L567-T570 PolarHBondContact O-N 3.4Å; L567-T570 VanDerWaalsContact O-N 3.09Å; L567-L571 HydrophobicContact CD1-CD1 3.99Å; L567-L571 HydrophobicContact CD1-CG 4.12Å; L567-L571 HydrophobicContact CG-CD1 3.99Å; L567-L571 HydrophobicContact CG-CG 4.46Å; L567-L571 WeakPolarHBondContact O-CG 3.28Å; L567-L571 PolarHBondContact O-N 2.98Å
568	L	92.7	Very high	89.7	Confident	3 Å²	3	68.3 Å²	68.3	2%	0.016	36%	0.36	C	S	.	.	H	α-helix	trans	-62.3	-38.7	179.3	-61.5	-169.8	0	0	0	113.1	L525 F550 I551 L554 F563 P564 K565 Y572	L525-L568 HydrophobicContact CD1-CD2 3.7Å; F550-L568 HydrophobicContact CD1-CB 4.31Å; F550-L568 HydrophobicContact CE1-CB 4.12Å; F550-L568 HydrophobicContact CE1-CD2 4.15Å; I551-L568 HydrophobicContact CB-CD1 4.36Å; I551-L568 HydrophobicContact CG1-CB 3.84Å; I551-L568 HydrophobicContact CG1-CD1 4.13Å; I551-L568 HydrophobicContact CG2-CD1 4.43Å; L554-L568 HydrophobicContact CB-CD1 3.9Å; L554-L568 HydrophobicContact CD1-CD1 3.94Å; L554-L568 HydrophobicContact CD1-CD2 3.63Å; L554-L568 HydrophobicContact CD1-CG 4.42Å; F563-L568 HydrophobicContact CB-CD1 4.03Å; F563-L568 HydrophobicContact CB-CD2 3.88Å; F563-L568 HydrophobicContact CB-CG 3.95Å; F563-L568 HydrophobicContact CG-CD2 4.32Å; P564-L568 PolarHBondContact O-N 3.5Å; K565-L568 PolarHBondContact O-N 2.87Å; L568-Y572 VanDerWaalsContact O-CB 3.26Å; L568-Y572 WeakPolarHBondContact O-CB 3.45Å; L568-Y572 PolarHBondContact O-N 2.82Å
569	K	93.9	Very high	90	Very high	92 Å²	92	72.1 Å²	72.1	40%	0.4	38%	0.376	S	S	.	.	H	α-helix	trans	-61.6	-42	171.6	-70.1	171.2	-159	166.6	0	112.1	I551 K565 D566 L567 S573	I551-K569 HydrophobicContact CD1-CG 4Å; K565-K569 VanDerWaalsContact O-CG 3.31Å; K565-K569 WeakPolarHBondContact O-CG 3.34Å; K565-K569 PolarHBondContact O-N 2.94Å; D566-K569 WeakPolarHBondContact OD1-CD 3.4Å; D566-K569 WeakPolarHBondContact OD1-CE 3.27Å; D566-K569 IonicContact OD1-NZ 2.93Å; D566-K569 PolarHBondContact OD1-NZ 2.64Å; L567-K569 PolarHBondContact O-N 2.71Å; K569-S573 WeakPolarHBondContact O-CB 3.33Å; K569-S573 PolarHBondContact O-N 2.89Å; K569-S573 PolarHBondContact O-OG 3.06Å
570	T	94.5	Very high	90.4	Very high	73 Å²	73	67.7 Å²	67.7	45%	0.448	35%	0.353	S	S	.	.	H	α-helix	trans	-66.3	-47.7	-178.7	-58.8	0	0	0	0	110.6	D566 L567 S573 S574	D566-T570 WeakPolarHBondContact O-CB 3.26Å; D566-T570 PolarHBondContact O-N 2.62Å; D566-T570 PolarHBondContact O-OG1 2.81Å; L567-T570 WeakPolarHBondContact O-CB 3.24Å; L567-T570 PolarHBondContact O-N 3.4Å; L567-T570 VanDerWaalsContact O-N 3.09Å; T570-S573 PolarHBondContact O-N 3.38Å; T570-S574 PolarHBondContact O-N 3.43Å
571	L	94.3	Very high	90.8	Very high	0 Å²	0	67.9 Å²	67.9	0%	0	34%	0.335	C	S	.	.	H	α-helix	trans	-62.5	-45.4	175.8	-62.8	174.7	0	0	0	111.8	I477 D478 L525 V529 L567 S573 S574 I575	I477-L571 HydrophobicContact CG2-CD1 3.72Å; I477-L571 HydrophobicContact CG2-CD2 3.52Å; I477-L571 HydrophobicContact CG2-CG 4.28Å; D478-L571 HydrophobicContact CB-CD2 3.83Å; D478-L571 VanDerWaalsContact OD1-CD2 3.22Å; D478-L571 WeakPolarHBondContact OD1-CD2 3.48Å; L525-L571 HydrophobicContact CD1-CD1 3.9Å; L525-L571 HydrophobicContact CD2-CD1 3.87Å; L525-L571 HydrophobicContact CG-CD1 4.04Å; V529-L571 HydrophobicContact CG2-CB 4.44Å; V529-L571 HydrophobicContact CG2-CD1 4.34Å; L567-L571 HydrophobicContact CD1-CD1 3.99Å; L567-L571 HydrophobicContact CD1-CG 4.12Å; L567-L571 HydrophobicContact CG-CD1 3.99Å; L567-L571 HydrophobicContact CG-CG 4.46Å; L567-L571 WeakPolarHBondContact O-CG 3.28Å; L567-L571 PolarHBondContact O-N 2.98Å; L571-S573 VanDerWaalsContact C-N 3.26Å; L571-S573 PolarHBondContact O-N 3.3Å; L571-S574 PolarHBondContact O-N 3.28Å; L571-I575 WeakPolarHBondContact O-CB 3.43Å; L571-I575 VanDerWaalsContact O-CG1 3.23Å; L571-I575 WeakPolarHBondContact O-CG1 3.34Å; L571-I575 PolarHBondContact O-N 3.47Å
572	Y	94.2	Very high	90.5	Very high	23 Å²	23	62.7 Å²	62.7	9%	0.09	31%	0.311	C	S	.	.	H	α-helix	trans	-58.7	-39.8	174.8	178.7	-82	0	0	0	112	L532 L536 M545 C547 F550 L568 R576	L532-Y572 HydrophobicContact CD1-CD2 3.86Å; L532-Y572 HydrophobicContact CD1-CE2 3.98Å; L532-Y572 HydrophobicContact CD2-CD2 3.73Å; L532-Y572 HydrophobicContact CD2-CG 4.29Å; L532-Y572 HydrophobicContact CG-CD2 4.41Å; L536-Y572 HydrophobicContact CD1-CE2 4.2Å; L536-Y572 HydrophobicContact CD2-CE2 4.29Å; M545-Y572 WeakPolarHBondContact O-CE2 3.27Å; M545-Y572 PolarHBondContact O-OH 2.85Å; C547-Y572 HydrophobicContact CB-CD1 3.56Å; C547-Y572 HydrophobicContact CB-CD2 4.15Å; C547-Y572 HydrophobicContact CB-CE1 3.67Å; C547-Y572 HydrophobicContact CB-CE2 4.21Å; C547-Y572 HydrophobicContact CB-CG 3.84Å; C547-Y572 VanDerWaalsContact N-CZ 3.33Å; F550-Y572 HydrophobicContact CB-CD2 3.88Å; F550-Y572 HydrophobicContact CB-CE2 4.47Å; F550-Y572 HydrophobicContact CD1-CD2 4.25Å; F550-Y572 HydrophobicContact CG-CD2 4.15Å; L568-Y572 VanDerWaalsContact O-CB 3.26Å; L568-Y572 WeakPolarHBondContact O-CB 3.45Å; L568-Y572 PolarHBondContact O-N 2.82Å; Y572-R576 HydrophobicContact CE1-CB 4.47Å; Y572-R576 WeakPolarHBondContact O-CB 3.37Å; Y572-R576 PolarHBondContact O-N 3Å
573	S	94.6	Very high	89.5	Confident	56 Å²	56	61.8 Å²	61.8	39%	0.392	31%	0.309	S	S	.	.	H	α-helix	trans	-70.4	-44.1	179.3	-56	0	0	0	0	112.2	K569 T570 L571 R576 N577	K569-S573 WeakPolarHBondContact O-CB 3.33Å; K569-S573 PolarHBondContact O-N 2.89Å; K569-S573 PolarHBondContact O-OG 3.06Å; T570-S573 PolarHBondContact O-N 3.38Å; L571-S573 VanDerWaalsContact C-N 3.26Å; L571-S573 PolarHBondContact O-N 3.3Å; S573-R576 PolarHBondContact O-N 3.47Å; S573-N577 WeakPolarHBondContact O-CB 3.4Å; S573-N577 PolarHBondContact O-N 3.21Å; S573-N577 PolarHBondContact O-OD1 3.3Å
574	S	95.4	Very high	88	Confident	25 Å²	25	63.4 Å²	63.4	18%	0.175	32%	0.317	C	S	.	.	H	α-helix	trans	-59	-52.8	174.6	171.6	0	0	0	0	111.4	D478 R482 T570 L571 R576 N577 E578	D478-S574 WeakPolarHBondContact OD2-CB 3.37Å; D478-S574 PolarHBondContact OD2-OG 3.41Å; R482-S574 PolarHBondContact NH2-O 3.37Å; R482-S574 VanDerWaalsContact NH2-O 3.17Å; R482-S574 PolarHBondContact NH2-OG 3.05Å; T570-S574 PolarHBondContact O-N 3.43Å; L571-S574 PolarHBondContact O-N 3.28Å; S574-R576 VanDerWaalsContact C-N 3.3Å; S574-R576 PolarHBondContact O-N 3.43Å; S574-N577 PolarHBondContact O-N 3.5Å; S574-E578 PolarHBondContact O-N 3.08Å
575	I	93.8	Very high	86.1	Confident	0 Å²	0	63.9 Å²	63.9	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-66.2	-32.8	-178.3	-60.8	-66.9	0	0	0	111.4	D478 V529 L532 N533 L536 H537 L571 L580	D478-I575 HydrophobicContact CB-CD1 4.22Å; V529-I575 HydrophobicContact CG1-CD1 3.6Å; V529-I575 HydrophobicContact CG1-CG1 3.97Å; L532-I575 HydrophobicContact CD2-CB 4.23Å; L532-I575 HydrophobicContact CD2-CG2 4.23Å; L532-I575 HydrophobicContact CG-CG2 4.18Å; N533-I575 HydrophobicContact CB-CG2 3.78Å; L536-I575 HydrophobicContact CD1-CG2 4.45Å; H537-I575 PolarHBondContact CD2-O 3.44Å; H537-I575 PolarHBondContact NE2-O 3.35Å; L571-I575 WeakPolarHBondContact O-CB 3.43Å; L571-I575 VanDerWaalsContact O-CG1 3.23Å; L571-I575 WeakPolarHBondContact O-CG1 3.34Å; L571-I575 PolarHBondContact O-N 3.47Å; I575-L580 HydrophobicContact CD1-CD1 3.88Å; I575-L580 HydrophobicContact CD1-CD2 3.65Å; I575-L580 HydrophobicContact CD1-CG 3.65Å
576	R	91.4	Very high	84.2	Confident	156 Å²	156	62.4 Å²	62.4	59%	0.589	31%	0.31	S	S	*	.	H	α-helix	trans	-66.5	-41.9	173.3	-179.8	180	175.9	-160.7	-3.3	112.7	L536 H537 Y572 S573 S574	L536-R576 HydrophobicContact CD1-CB 3.84Å; L536-R576 HydrophobicContact CD1-CG 4.45Å; H537-R576 PolarHBondContact CE1-O 3.22Å; Y572-R576 HydrophobicContact CE1-CB 4.47Å; Y572-R576 WeakPolarHBondContact O-CB 3.37Å; Y572-R576 PolarHBondContact O-N 3Å; S573-R576 PolarHBondContact O-N 3.47Å; S574-R576 VanDerWaalsContact C-N 3.3Å; S574-R576 PolarHBondContact O-N 3.43Å
577	N	92.5	Very high	82.1	Confident	134 Å²	134	64.3 Å²	64.3	72%	0.717	32%	0.316	S	S	*	.	H	α-helix	trans	-80.3	-37.3	-173.7	-67.2	0.8	0	0	0	112	S573 S574	S573-N577 WeakPolarHBondContact O-CB 3.4Å; S573-N577 PolarHBondContact O-N 3.21Å; S573-N577 PolarHBondContact O-OD1 3.3Å; S574-N577 PolarHBondContact O-N 3.5Å
578	E	91.1	Very high	80.2	Confident	109 Å²	109	65.7 Å²	65.7	51%	0.509	32%	0.321	S	S	.	.	S	Bend	trans	-131	117.9	-177.7	-168.4	-149.1	130.4	0	0	109.7	R482 S574	R482-E578 VanDerWaalsContact CD-OE1 3.29Å; R482-E578 WeakPolarHBondContact CD-OE1 3.44Å; R482-E578 VanDerWaalsContact CZ-CD 3.41Å; R482-E578 VanDerWaalsContact CZ-O 3.29Å; R482-E578 IonicContact CZ-OE1 3.71Å; R482-E578 IonicContact CZ-OE2 3.14Å; R482-E578 IonicContact NE-OE1 3.24Å; R482-E578 IonicContact NE-OE2 3.17Å; R482-E578 PolarHBondContact NH1-O 3.2Å; R482-E578 IonicContact NH1-OE1 3.67Å; R482-E578 PolarHBondContact NH1-OE1 2.94Å; R482-E578 IonicContact NH1-OE2 2.7Å; R482-E578 PolarHBondContact NH2-O 3.48Å; S574-E578 PolarHBondContact O-N 3.08Å
579	K	88.8	Confident	78.3	Confident	96 Å²	96	70.1 Å²	70.1	42%	0.417	34%	0.344	S	S	.	.			trans	-64.9	140.8	178.6	179.6	-166.5	168.9	-144.4	0	111.3	R482 H537 Q581	R482-K579 PolarHBondContact NH1-O 3.47Å; H537-K579 HydrophobicContact CB-CB 4.45Å; H537-K579 HydrophobicContact CB-CD 4.26Å; H537-K579 HydrophobicContact CB-CG 3.94Å; K579-Q581 PolarHBondContact O-N 2.65Å
580	L	88.1	Confident	76.3	Confident	1 Å²	1	71.8 Å²	71.8	1%	0.005	35%	0.348	C	S	.	.			trans	-71.8	120.9	166.1	-58.2	175.6	0	0	0	109.6	L481 R482 V529 M530 N533 I575	L481-L580 HydrophobicContact CD2-CD1 3.89Å; L481-L580 HydrophobicContact CG-CD1 4.49Å; R482-L580 HydrophobicContact CG-CD2 3.56Å; V529-L580 HydrophobicContact CG1-CD1 3.96Å; M530-L580 HydrophobicContact SD-CD1 3.75Å; N533-L580 HydrophobicContact CB-CB 4.34Å; N533-L580 HydrophobicContact CB-CD1 3.87Å; N533-L580 HydrophobicContact CB-CG 4.09Å; N533-L580 PolarHBondContact ND2-O 2.87Å; N533-L580 PolarHBondContact OD1-N 3.01Å; I575-L580 HydrophobicContact CD1-CD1 3.88Å; I575-L580 HydrophobicContact CD1-CD2 3.65Å; I575-L580 HydrophobicContact CD1-CG 3.65Å
581	Q	82.3	Confident	74.2	Confident	73 Å²	73	75 Å²	75	34%	0.341	36%	0.356	S	S	.	.			trans	-89.5	110.2	169.5	-165.3	67.9	3.7	0	0	109.1	K579 T583	K579-Q581 PolarHBondContact O-N 2.65Å; Q581-T583 PolarHBondContact NE2-O 2.82Å
582	W	75.1	Confident	72	Confident	44 Å²	44	77.6 Å²	77.6	17%	0.167	37%	0.374	C	S	.	.			trans	-127.8	-4.8	-175.6	62	-91.7	0	0	0	113.9	M294 L485 L490 M530	M294-W582 HydrophobicContact CE-CH2 4.48Å; L485-W582 HydrophobicContact CB-CB 4.38Å; L485-W582 HydrophobicContact CD1-CB 4.03Å; L485-W582 HydrophobicContact CD2-CB 4.15Å; L485-W582 HydrophobicContact CG-CB 4.42Å; L490-W582 HydrophobicContact CB-CB 4.45Å; L490-W582 HydrophobicContact CB-CE3 4.19Å; L490-W582 PolarHBondContact N-O 3.24Å; M530-W582 HydrophobicContact CE-CB 4.26Å; M530-W582 HydrophobicContact CE-CD2 4.25Å; M530-W582 HydrophobicContact CE-CG 4.02Å
583	T	65.4	Low	70	Confident	61 Å²	61	78.5 Å²	78.5	37%	0.374	39%	0.386	S	S	.	.	S	Bend	trans	-110.2	155.2	168.6	52.7	0	0	0	0	109.2	Q581	Q581-T583 PolarHBondContact NE2-O 2.82Å
584	I	55.6	Low	68	Low	41 Å²	41	79 Å²	79	21%	0.21	39%	0.39	C	S	.	.			trans	-53.4	145.1	166	-62.9	177.5	0	0	0	108.4	A489 E588 L589	A489-I584 HydrophobicContact CB-CD1 3.97Å; A489-I584 HydrophobicContact CB-CG1 3.63Å; I584-E588 HydrophobicContact CG2-CB 3.7Å; I584-E588 HydrophobicContact CG2-CG 3.81Å; I584-L589 HydrophobicContact CG2-CB 4.4Å
585	D	50.6	Low	65.8	Low	88 Å²	88	85.4 Å²	85.4	47%	0.471	42%	0.417	S	S	.	.			trans	-64.6	145.7	178.7	-151.3	-22.6	0	0	0	110.9	E587 E588 L589	D585-E587 PolarHBondContact O-N 2.8Å; D585-E588 HydrophobicContact CB-CB 4.34Å; D585-E588 PolarHBondContact O-N 2.87Å; D585-L589 PolarHBondContact O-N 2.93Å
586	E	51.5	Low	63.7	Low	83 Å²	83	92.4 Å²	92.4	39%	0.388	45%	0.453	S	S	.	.	H	α-helix	trans	-55.4	-26.9	175.8	-88.7	-80.2	146.5	0	0	111.3	R590	E586-R590 WeakPolarHBondContact O-CB 3.46Å; E586-R590 PolarHBondContact O-N 3.48Å; E586-R590 PolarHBondContact O-NH1 3.28Å; E586-R590 IonicContact OE2-NH1 2.74Å; E586-R590 PolarHBondContact OE2-NH1 3.3Å
587	E	46.3	Very low	61.5	Low	138 Å²	138	88 Å²	88	65%	0.645	45%	0.45	S	S	*	.	H	α-helix	trans	-83.6	-32.9	179.3	-161.7	157	-111.6	0	0	113.6	D585 K591	D585-E587 PolarHBondContact O-N 2.8Å; E587-K591 WeakPolarHBondContact O-CB 3.23Å; E587-K591 PolarHBondContact O-N 2.89Å
588	E	52.1	Low	58.9	Low	83 Å²	83	89.2 Å²	89.2	39%	0.388	46%	0.457	S	S	.	.	H	α-helix	trans	-76	-36.4	174	-175.7	173.8	-147.8	0	0	110.8	K445 I584 D585 S592	K445-E588 IonicContact NZ-OE1 3.66Å; K445-E588 PolarHBondContact NZ-OE1 3.08Å; K445-E588 IonicContact NZ-OE2 2.87Å; K445-E588 PolarHBondContact NZ-OE2 3.43Å; I584-E588 HydrophobicContact CG2-CB 3.7Å; I584-E588 HydrophobicContact CG2-CG 3.81Å; D585-E588 HydrophobicContact CB-CB 4.34Å; D585-E588 PolarHBondContact O-N 2.87Å; E588-S592 PolarHBondContact O-N 2.98Å; E588-S592 VanDerWaalsContact O-N 3.15Å; E588-S592 PolarHBondContact O-OG 2.87Å
589	L	51.8	Low	56.5	Low	97 Å²	97	87.1 Å²	87.1	51%	0.508	47%	0.465	S	S	.	.	H	α-helix	trans	-66.6	-42	169.1	-174.6	66.3	0	0	0	111.7	I584 D585 S592 A593	I584-L589 HydrophobicContact CG2-CB 4.4Å; D585-L589 PolarHBondContact O-N 2.93Å; L589-S592 PolarHBondContact O-N 2.89Å; L589-S592 PolarHBondContact O-OG 3.13Å; L589-A593 VanDerWaalsContact O-CB 3.29Å; L589-A593 WeakPolarHBondContact O-CB 3.29Å; L589-A593 PolarHBondContact O-N 3.02Å
590	R	52.9	Low	53.8	Low	127 Å²	127	93 Å²	93	48%	0.479	48%	0.484	S	S	.	.	H	α-helix	trans	-66.8	-40.4	177.6	179	178.5	-96.4	87.6	-6.7	112.3	E586 A593 S594	E586-R590 WeakPolarHBondContact O-CB 3.46Å; E586-R590 PolarHBondContact O-N 3.48Å; E586-R590 PolarHBondContact O-NH1 3.28Å; E586-R590 IonicContact OE2-NH1 2.74Å; E586-R590 PolarHBondContact OE2-NH1 3.3Å; R590-A593 PolarHBondContact O-N 2.63Å; R590-S594 WeakPolarHBondContact O-CB 3.31Å; R590-S594 PolarHBondContact O-N 3.24Å; R590-S594 PolarHBondContact O-OG 3.45Å
591	K	50.3	Low	51.6	Low	141 Å²	141	99.8 Å²	99.8	61%	0.613	53%	0.526	S	S	*	.	H	α-helix	trans	-58.6	-53.9	171.8	-87.8	-177.7	172.9	176	0	112	E587 A593 S594 E595	E587-K591 WeakPolarHBondContact O-CB 3.23Å; E587-K591 PolarHBondContact O-N 2.89Å; K591-A593 VanDerWaalsContact C-N 3.27Å; K591-A593 PolarHBondContact O-N 2.65Å; K591-S594 PolarHBondContact O-N 2.93Å; K591-E595 WeakPolarHBondContact O-CG 3.38Å; K591-E595 PolarHBondContact O-N 3.27Å
592	S	49.3	Very low	49	Very low	53 Å²	53	102.6 Å²	102.6	37%	0.371	54%	0.543	S	S	.	.	H	α-helix	trans	-66.5	-26.3	-178.5	50.4	0	0	0	0	113.6	E588 L589 L596	E588-S592 PolarHBondContact O-N 2.98Å; E588-S592 VanDerWaalsContact O-N 3.15Å; E588-S592 PolarHBondContact O-OG 2.87Å; L589-S592 PolarHBondContact O-N 2.89Å; L589-S592 PolarHBondContact O-OG 3.13Å; S592-L596 WeakPolarHBondContact O-CD1 3.47Å; S592-L596 WeakPolarHBondContact O-CG 3.44Å
593	A	50.7	Low	47.2	Very low	42 Å²	42	106.8 Å²	106.8	35%	0.347	58%	0.579	S	S	.	*	H	α-helix	trans	-74.4	-37.6	168.4	0	0	0	0	0	112.9	L589 R590 K591 L596 A597	L589-A593 VanDerWaalsContact O-CB 3.29Å; L589-A593 WeakPolarHBondContact O-CB 3.29Å; L589-A593 PolarHBondContact O-N 3.02Å; R590-A593 PolarHBondContact O-N 2.63Å; K591-A593 VanDerWaalsContact C-N 3.27Å; K591-A593 PolarHBondContact O-N 2.65Å; A593-L596 PolarHBondContact O-N 2.61Å; A593-A597 PolarHBondContact O-N 3.18Å
594	S	52.6	Low	45.6	Very low	68 Å²	68	107.8 Å²	107.8	48%	0.476	59%	0.593	S	S	.	*	H	α-helix	trans	-69.2	-40.8	176.6	-75	0	0	0	0	112.9	R590 K591 L596 A597	R590-S594 WeakPolarHBondContact O-CB 3.31Å; R590-S594 PolarHBondContact O-N 3.24Å; R590-S594 PolarHBondContact O-OG 3.45Å; K591-S594 PolarHBondContact O-N 2.93Å; S594-L596 PolarHBondContact O-N 3.2Å; S594-L596 VanDerWaalsContact O-N 3.15Å; S594-A597 WeakPolarHBondContact O-CB 3.35Å; S594-A597 PolarHBondContact O-N 2.84Å
595	E	49.2	Very low	44.6	Very low	158 Å²	158	110.4 Å²	110.4	74%	0.738	62%	0.616	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.9	-20.3	174.8	-71.8	174.5	160.1	0	0	112.9	K591	K591-E595 WeakPolarHBondContact O-CG 3.38Å; K591-E595 PolarHBondContact O-N 3.27Å
596	L	50.2	Low	43.6	Very low	147 Å²	147	114.7 Å²	114.7	77%	0.77	63%	0.633	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.4	-10.6	173	-68.9	171.6	0	0	0	113.6	S592 A593 S594	S592-L596 WeakPolarHBondContact O-CD1 3.47Å; S592-L596 WeakPolarHBondContact O-CG 3.44Å; A593-L596 PolarHBondContact O-N 2.61Å; S594-L596 PolarHBondContact O-N 3.2Å; S594-L596 VanDerWaalsContact O-N 3.15Å
597	A	46.3	Very low	42.8	Very low	63 Å²	63	115.6 Å²	115.6	52%	0.521	64%	0.644	S	S	.	*	T	Hydrogen-bonded Turn	trans	-87.3	-30.3	-173.6	0	0	0	0	0	113.8	A593 S594 G599	A593-A597 PolarHBondContact O-N 3.18Å; S594-A597 WeakPolarHBondContact O-CB 3.35Å; S594-A597 PolarHBondContact O-N 2.84Å; A597-G599 PolarHBondContact O-N 3.25Å
598	D	36.5	Very low	42	Very low	161 Å²	161	116.9 Å²	116.9	86%	0.861	65%	0.652	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.2	-1.7	-178.9	-78.4	-19.8	0	0	0	114.2
599	G	40.5	Very low	41	Very low	65 Å²	65	124 Å²	124	67%	0.67	68%	0.676	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.1	-26.2	-175.8	0	0	0	0	0	116.8	A597	A597-G599 PolarHBondContact O-N 3.25Å
600	R	33.6	Very low	40.3	Very low	220 Å²	220	127.6 Å²	127.6	83%	0.83	68%	0.682	S	S	*	*			trans	-151.5	122.3	-172	-70.5	-170.3	174.4	163.2	-1.7	114.4
601	T	40.5	Very low	39.4	Very low	143 Å²	143	126.6 Å²	126.6	88%	0.877	69%	0.69	S	S	*	*			trans	-91.3	100.5	167.9	51.1	0	0	0	0	111
602	D	29	Very low	38.4	Very low	131 Å²	131	123.9 Å²	123.9	70%	0.701	69%	0.694	S	S	*	*			trans	-146.7	150.4	167.7	-94	-51.1	0	0	0	110.9	A604	D602-A604 PolarHBondContact O-N 2.94Å
603	S	36.2	Very low	37.2	Very low	132 Å²	132	123.8 Å²	123.8	92%	0.923	70%	0.701	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.1	26.5	-160.2	-55.5	0	0	0	0	117
604	A	31.2	Very low	36.2	Very low	82 Å²	82	125.9 Å²	125.9	68%	0.678	73%	0.727	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.7	-11	-179.7	0	0	0	0	0	114.6	D602 Q606	D602-A604 PolarHBondContact O-N 2.94Å; A604-Q606 PolarHBondContact O-N 2.99Å
605	S	34.8	Very low	35.3	Very low	97 Å²	97	127.7 Å²	127.7	68%	0.678	73%	0.731	S	S	*	*	G	3₁₀ helix	trans	-79.1	-1.9	-160.5	-55.1	0	0	0	0	116.9	T607	S605-T607 VanDerWaalsContact C-N 3.33Å; S605-T607 PolarHBondContact O-N 3.03Å
606	Q	31	Very low	35	Very low	178 Å²	178	124.6 Å²	124.6	83%	0.832	73%	0.727	S	S	*	*	G	3₁₀ helix	trans	-75.1	-18.7	-172.2	-157.8	170.1	11.9	0	0	114.1	A604 M608	A604-Q606 PolarHBondContact O-N 2.99Å; Q606-M608 VanDerWaalsContact C-N 3.31Å; Q606-M608 PolarHBondContact O-N 2.82Å
607	T	33.5	Very low	34.4	Very low	102 Å²	102	119.9 Å²	119.9	63%	0.626	70%	0.703	S	S	*	*	G	3₁₀ helix	trans	-68.6	-20	-170.4	-48.1	0	0	0	0	114.8	S605	S605-T607 VanDerWaalsContact C-N 3.33Å; S605-T607 PolarHBondContact O-N 3.03Å
608	M	29.5	Very low	34.2	Very low	164 Å²	164	119 Å²	119	81%	0.808	69%	0.691	S	S	*	*	G	3₁₀ helix	trans	-91	-4.2	-169	-153.9	173.7	-72.3	0	0	115.2	Q606 R610	Q606-M608 VanDerWaalsContact C-N 3.31Å; Q606-M608 PolarHBondContact O-N 2.82Å; M608-R610 PolarHBondContact O-N 2.93Å
609	R	30.7	Very low	34.3	Very low	234 Å²	234	114.7 Å²	114.7	88%	0.883	68%	0.684	S	S	*	*			trans	-72.6	22.6	-176.8	-86.5	-83.5	-170.1	156.1	2.2	115.7
610	R	38.9	Very low	34.5	Very low	171 Å²	171	112.5 Å²	112.5	65%	0.645	66%	0.658	S	S	*	*			trans	-103.2	-4	-154.4	-95.3	-173.3	177.9	151.6	5.3	120.3	M608	M608-R610 PolarHBondContact O-N 2.93Å
611	V	32.8	Very low	34.9	Very low	107 Å²	107	102.5 Å²	102.5	65%	0.648	62%	0.622	S	S	*	*	S	Bend	trans	-106.1	-16.7	-171.5	-170.8	0	0	0	0	114.6	G613	V611-G613 PolarHBondContact O-N 2.91Å
612	A	28.8	Very low	35.1	Very low	83 Å²	83	100.6 Å²	100.6	69%	0.686	60%	0.603	S	S	*	*			trans	-98	89.7	-178.1	0	0	0	0	0	112.6
613	G	24.8	Very low	36.1	Very low	51 Å²	51	97 Å²	97	53%	0.526	58%	0.582	S	S	.	*			trans	174	52.3	178.2	0	0	0	0	0	120.2	V611 N615	V611-G613 PolarHBondContact O-N 2.91Å; G613-N615 VanDerWaalsContact C-N 3.28Å; G613-N615 PolarHBondContact O-N 3.29Å
614	G	30.4	Very low	36.4	Very low	86 Å²	86	92.4 Å²	92.4	89%	0.887	55%	0.552	S	S	*	*			trans	53.1	-34.9	148.1	0	0	0	0	0	123.6
615	N	34	Very low	37.2	Very low	106 Å²	106	96.6 Å²	96.6	57%	0.567	56%	0.563	S	S	*	*			trans	-114.1	116.2	-164.3	-78.1	-27	0	0	0	111.4	G613 L617 V618	G613-N615 VanDerWaalsContact C-N 3.28Å; G613-N615 PolarHBondContact O-N 3.29Å; N615-L617 PolarHBondContact O-N 2.83Å; N615-V618 HydrophobicContact CB-CB 4.37Å; N615-V618 HydrophobicContact CB-CG2 3.68Å; N615-V618 WeakPolarHBondContact O-CB 3.25Å; N615-V618 PolarHBondContact O-N 2.64Å
616	S	41.3	Very low	38.5	Very low	94 Å²	94	92.7 Å²	92.7	66%	0.657	54%	0.538	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.5	-16.4	173.5	-173.3	0	0	0	0	113.8
617	L	38.7	Very low	40.9	Very low	48 Å²	48	90.1 Å²	90.1	25%	0.251	53%	0.526	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77	-29.7	174.6	-157.8	73.8	0	0	0	112.6	N615 G619 V620 A621 V684 A687	N615-L617 PolarHBondContact O-N 2.83Å; L617-G619 VanDerWaalsContact C-N 3.31Å; L617-G619 PolarHBondContact O-N 3.3Å; L617-V620 PolarHBondContact O-N 2.86Å; L617-A621 VanDerWaalsContact O-CB 3.3Å; L617-A621 WeakPolarHBondContact O-CB 3.19Å; L617-A621 PolarHBondContact O-N 2.9Å; L617-V684 HydrophobicContact CD2-CG1 4.23Å; L617-V684 WeakPolarHBondContact CD2-O 3.35Å; L617-A687 HydrophobicContact CD2-CB 4.2Å
618	V	41	Very low	43.6	Very low	44 Å²	44	89.2 Å²	89.2	27%	0.267	52%	0.517	S	S	.	.	H	α-helix	trans	-64.8	-33.7	-174.9	169	0	0	0	0	112	N615 V620 A621 Q622	N615-V618 HydrophobicContact CB-CB 4.37Å; N615-V618 HydrophobicContact CB-CG2 3.68Å; N615-V618 WeakPolarHBondContact O-CB 3.25Å; N615-V618 PolarHBondContact O-N 2.64Å; V618-V620 PolarHBondContact O-N 3.29Å; V618-A621 PolarHBondContact O-N 3.1Å; V618-Q622 HydrophobicContact CG1-CG 4.15Å; V618-Q622 WeakPolarHBondContact O-CB 3.5Å; V618-Q622 WeakPolarHBondContact O-CG 3.44Å; V618-Q622 PolarHBondContact O-N 2.97Å
619	G	40.1	Very low	46.5	Very low	70 Å²	70	82 Å²	82	72%	0.722	48%	0.481	S	S	*	.	H	α-helix	trans	-64.1	-16.8	174.2	0	0	0	0	0	114.8	L617	L617-G619 VanDerWaalsContact C-N 3.31Å; L617-G619 PolarHBondContact O-N 3.3Å
620	V	43.9	Very low	49.4	Very low	20 Å²	20	72 Å²	72	12%	0.121	44%	0.443	C	S	.	.	H	α-helix	trans	-108.5	-37.6	175.8	-161.4	0	0	0	0	110.8	L617 V618 Q622 Q623 L664 V665	L617-V620 PolarHBondContact O-N 2.86Å; V618-V620 PolarHBondContact O-N 3.29Å; V620-Q622 PolarHBondContact O-N 3.27Å; V620-Q623 WeakPolarHBondContact O-CB 3.29Å; V620-Q623 PolarHBondContact O-N 2.62Å; V620-Q623 VanDerWaalsContact O-N 3.15Å; V620-L664 HydrophobicContact CG1-CB 4.25Å; V620-V665 HydrophobicContact CB-CG2 4.17Å; V620-V665 HydrophobicContact CG1-CG2 3.63Å
621	A	41.2	Very low	52	Low	9 Å²	9	65.8 Å²	65.8	7%	0.074	43%	0.426	C	S	.	.	H	α-helix	trans	-73.2	-8.4	178.8	0	0	0	0	0	114.4	L617 V618 Q623 Y667 V684	L617-A621 VanDerWaalsContact O-CB 3.3Å; L617-A621 WeakPolarHBondContact O-CB 3.19Å; L617-A621 PolarHBondContact O-N 2.9Å; V618-A621 PolarHBondContact O-N 3.1Å; A621-Q623 PolarHBondContact O-N 3.47Å; A621-Y667 WeakPolarHBondContact CA-OH 3.4Å; A621-Y667 HydrophobicContact CB-CE1 4.32Å; A621-Y667 PolarHBondContact O-OH 2.88Å; A621-V684 HydrophobicContact CB-CG1 4.42Å
622	Q	44.4	Very low	54.9	Low	103 Å²	103	61.6 Å²	61.6	48%	0.481	40%	0.404	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.5	0.7	165.9	-78.7	-177.4	3.8	0	0	113.5	V618 V620 A624	V618-Q622 HydrophobicContact CG1-CG 4.15Å; V618-Q622 WeakPolarHBondContact O-CB 3.5Å; V618-Q622 WeakPolarHBondContact O-CG 3.44Å; V618-Q622 PolarHBondContact O-N 2.97Å; V620-Q622 PolarHBondContact O-N 3.27Å; Q622-A624 PolarHBondContact O-N 3.46Å
623	Q	50.2	Low	58	Low	57 Å²	57	63.2 Å²	63.2	27%	0.266	40%	0.396	S	S	.	.			trans	-75.5	57.2	160.6	-68.8	-177.6	-8.7	0	0	111.2	V620 A621 D625 G626 N766	V620-Q623 WeakPolarHBondContact O-CB 3.29Å; V620-Q623 PolarHBondContact O-N 2.62Å; V620-Q623 VanDerWaalsContact O-N 3.15Å; A621-Q623 PolarHBondContact O-N 3.47Å; Q623-D625 VanDerWaalsContact C-N 3.29Å; Q623-G626 PolarHBondContact O-N 2.99Å; Q623-N766 PolarHBondContact NE2-OD1 3.06Å
624	A	43.5	Very low	61.4	Low	34 Å²	34	60.9 Å²	60.9	28%	0.281	37%	0.372	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-37.4	170.1	0	0	0	0	0	110.9	Q622 G626 K662	Q622-A624 PolarHBondContact O-N 3.46Å; A624-G626 PolarHBondContact O-N 2.8Å; A624-K662 PolarHBondContact O-NZ 3.44Å
625	D	48.1	Very low	64.5	Low	171 Å²	171	58 Å²	58	91%	0.914	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.7	18.6	174	-159.8	33.3	0	0	0	113.1	Q623	Q623-D625 VanDerWaalsContact C-N 3.29Å
626	G	62.6	Low	67.4	Low	15 Å²	15	54.2 Å²	54.2	16%	0.155	32%	0.315	C	S	.	.			trans	-79	136.4	175.6	0	0	0	0	0	112.1	Q623 A624 L628 K662	Q623-G626 PolarHBondContact O-N 2.99Å; A624-G626 PolarHBondContact O-N 2.8Å; G626-L628 PolarHBondContact O-N 3.26Å; G626-K662 WeakPolarHBondContact O-CD 3.35Å; G626-K662 WeakPolarHBondContact O-CG 3.2Å
627	E	81.4	Confident	69.9	Low	123 Å²	123	51.9 Å²	51.9	58%	0.575	29%	0.293	S	S	*	.			trans	-49.7	132.4	173.8	-174.3	-174.4	179.1	0	0	111.6	Y629 K662 G663	E627-Y629 HydrophobicContact CB-CE1 4.19Å; E627-Y629 HydrophobicContact CB-CE2 4.28Å; E627-Y629 HydrophobicContact CG-CD1 4.4Å; E627-Y629 HydrophobicContact CG-CE1 3.82Å; E627-Y629 WeakPolarHBondContact O-CD2 3.36Å; E627-Y629 PolarHBondContact O-N 2.82Å; E627-Y629 WeakPolarHBondContact OE2-CE1 3.37Å; E627-Y629 PolarHBondContact OE2-OH 2.84Å; E627-K662 WeakPolarHBondContact O-CA 3.45Å; E627-G663 PolarHBondContact O-N 2.73Å
628	L	89.3	Confident	72.4	Confident	83 Å²	83	51.4 Å²	51.4	44%	0.435	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	96.7	-178.1	-179.4	65.7	0	0	0	110.8	G626 M660 K662	G626-L628 PolarHBondContact O-N 3.26Å; L628-M660 HydrophobicContact CD1-CB 4.02Å; L628-M660 HydrophobicContact CD1-CG 4.39Å; L628-K662 HydrophobicContact CB-CG 4.3Å; L628-K662 HydrophobicContact CD1-CG 3.85Å
629	Y	89.8	Confident	74.7	Confident	14 Å²	14	50.7 Å²	50.7	6%	0.055	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	-31.9	-178.4	-64.4	-62.6	0	0	0	113.9	E627 L661 R734 V738 F742 L841	E627-Y629 HydrophobicContact CB-CE1 4.19Å; E627-Y629 HydrophobicContact CB-CE2 4.28Å; E627-Y629 HydrophobicContact CG-CD1 4.4Å; E627-Y629 HydrophobicContact CG-CE1 3.82Å; E627-Y629 WeakPolarHBondContact O-CD2 3.36Å; E627-Y629 PolarHBondContact O-N 2.82Å; E627-Y629 WeakPolarHBondContact OE2-CE1 3.37Å; E627-Y629 PolarHBondContact OE2-OH 2.84Å; Y629-L661 PolarHBondContact N-O 3.34Å; Y629-R734 WeakPolarHBondContact O-CD 3.45Å; Y629-R734 PolarHBondContact O-NH1 3.39Å; Y629-V738 HydrophobicContact CD1-CG2 3.96Å; Y629-V738 HydrophobicContact CD2-CB 4.39Å; Y629-V738 HydrophobicContact CD2-CG1 3.95Å; Y629-V738 HydrophobicContact CD2-CG2 3.44Å; Y629-V738 VanDerWaalsContact CD2-CG2 3.44Å; Y629-V738 HydrophobicContact CE2-CG1 4.19Å; Y629-V738 HydrophobicContact CE2-CG2 4.06Å; Y629-V738 HydrophobicContact CG-CG2 3.4Å; Y629-F742 AromaticContact CE2-CE2 3.87Å; Y629-F742 HydrophobicContact CE2-CE2 3.87Å; Y629-F742 AromaticContact CZ-CE2 3.66Å; Y629-F742 WeakPolarHBondContact OH-CE2 3.21Å; Y629-F742 VanDerWaalsContact OH-CZ 3.31Å; Y629-F742 WeakPolarHBondContact OH-CZ 3.44Å; Y629-L841 HydrophobicContact CD1-CD1 4.1Å; Y629-L841 HydrophobicContact CD1-CD2 4.37Å; Y629-L841 HydrophobicContact CE1-CD1 4.15Å
630	K	92.5	Very high	77	Confident	23 Å²	23	47.8 Å²	47.8	10%	0.1	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.7	147.9	173.3	-162.7	168.9	165.9	71.2	0	111.6	L661 S730 W731	K630-L661 HydrophobicContact CB-CB 4.46Å; K630-L661 PolarHBondContact O-N 3.3Å; K630-S730 WeakPolarHBondContact CE-OG 3.43Å; K630-S730 PolarHBondContact NZ-OG 3.41Å; K630-W731 HydrophobicContact CB-CE3 4.26Å; K630-W731 HydrophobicContact CB-CH2 4.06Å; K630-W731 HydrophobicContact CB-CZ3 3.83Å; K630-W731 HydrophobicContact CD-CD2 3.56Å; K630-W731 HydrophobicContact CD-CE3 3.69Å; K630-W731 HydrophobicContact CD-CG 4Å; K630-W731 HydrophobicContact CD-CH2 4.31Å; K630-W731 HydrophobicContact CD-CZ2 4.22Å; K630-W731 HydrophobicContact CD-CZ3 4.07Å; K630-W731 VanDerWaalsContact CE-CD2 3.45Å; K630-W731 VanDerWaalsContact CE-CE2 3.41Å; K630-W731 HydrophobicContact CG-CD2 4.28Å; K630-W731 HydrophobicContact CG-CE3 4.17Å; K630-W731 HydrophobicContact CG-CH2 3.95Å; K630-W731 HydrophobicContact CG-CZ2 4.07Å; K630-W731 HydrophobicContact CG-CZ3 4.01Å
631	S	93.4	Very high	79	Confident	41 Å²	41	49.1 Å²	49.1	29%	0.287	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	169.4	163.3	65.8	0	0	0	0	112.5	Y658 A659	S631-Y658 VanDerWaalsContact CB-OH 3.31Å; S631-Y658 WeakPolarHBondContact CB-OH 3.31Å; S631-Y658 PolarHBondContact OG-OH 2.98Å; S631-A659 CarbonylContact C-O 3.55Å; S631-A659 WeakPolarHBondContact CA-O 3.29Å; S631-A659 WeakPolarHBondContact CB-O 3.18Å
632	G	93.4	Very high	80.9	Confident	18 Å²	18	51.1 Å²	51.1	19%	0.186	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	139	172.8	175.9	0	0	0	0	0	113.4	A659	G632-A659 PolarHBondContact N-O 2.87Å; G632-A659 WeakPolarHBondContact O-CA 3.34Å; G632-A659 WeakPolarHBondContact O-CB 3.1Å; G632-A659 PolarHBondContact O-N 3.47Å
633	F	93.8	Very high	82.2	Confident	118 Å²	118	50.4 Å²	50.4	52%	0.518	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	137.9	-176.9	-66	-77.1	0	0	0	113.3	T656 F657 Y658	F633-T656 HydrophobicContact CD1-CG2 4.42Å; F633-F657 WeakPolarHBondContact CA-O 3.37Å; F633-Y658 HydrophobicContact CD1-CD2 4.15Å; F633-Y658 HydrophobicContact CD2-CD2 4.44Å; F633-Y658 AromaticContact CE1-CD2 3.89Å; F633-Y658 HydrophobicContact CE1-CD2 3.89Å; F633-Y658 HydrophobicContact CE2-CD2 4.19Å; F633-Y658 HydrophobicContact CG-CD2 4.43Å; F633-Y658 AromaticContact CZ-CD2 3.91Å; F633-Y658 HydrophobicContact CZ-CD2 3.91Å
634	L	95.8	Very high	83.3	Confident	1 Å²	1	49.7 Å²	49.7	1%	0.005	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	138.4	169.9	-74.2	179.4	0	0	0	110.2	F657 A659 F708 L720 Q721 A722 W731	L634-F657 PolarHBondContact N-O 3.45Å; L634-F657 PolarHBondContact O-N 3.4Å; L634-A659 HydrophobicContact CB-CB 4.25Å; L634-A659 HydrophobicContact CD1-CB 3.77Å; L634-A659 HydrophobicContact CG-CB 4.05Å; L634-F708 HydrophobicContact CD1-CZ 4.34Å; L634-F708 HydrophobicContact CD2-CE1 3.97Å; L634-F708 HydrophobicContact CD2-CZ 4.36Å; L634-L720 HydrophobicContact CD1-CD1 4.32Å; L634-L720 HydrophobicContact CD1-CD2 4.35Å; L634-Q721 WeakPolarHBondContact CA-O 3.25Å; L634-Q721 WeakPolarHBondContact CD2-O 3.39Å; L634-A722 HydrophobicContact CD2-CB 3.96Å; L634-W731 HydrophobicContact CD1-CD2 3.9Å; L634-W731 HydrophobicContact CD1-CE3 4.23Å; L634-W731 HydrophobicContact CD1-CG 4.31Å; L634-W731 HydrophobicContact CD1-CH2 4.49Å; L634-W731 HydrophobicContact CD1-CZ2 4.16Å; L634-W731 HydrophobicContact CD2-CD2 4.41Å; L634-W731 HydrophobicContact CD2-CG 4.14Å; L634-W731 HydrophobicContact CG-CD2 4.35Å; L634-W731 HydrophobicContact CG-CZ2 4.22Å
635	V	95.4	Very high	85.2	Confident	27 Å²	27	54.7 Å²	54.7	16%	0.164	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	116.8	167.9	-157.9	0	0	0	0	108.6	W654 K655 L720 Q721	V635-W654 HydrophobicContact CB-CE3 4.23Å; V635-W654 HydrophobicContact CG1-CB 4.01Å; V635-W654 HydrophobicContact CG1-CE3 3.94Å; V635-W654 WeakPolarHBondContact O-CZ3 3.21Å; V635-K655 CarbonylContact C-O 3.58Å; V635-K655 WeakPolarHBondContact CA-O 3.34Å; V635-L720 CarbonylContact O-C 3.57Å; V635-L720 WeakPolarHBondContact O-CA 3.4Å; V635-Q721 HydrophobicContact CB-CB 4Å; V635-Q721 HydrophobicContact CG2-CB 4.31Å; V635-Q721 PolarHBondContact N-O 3.37Å; V635-Q721 PolarHBondContact O-N 2.77Å
636	R	94.7	Very high	87	Confident	26 Å²	26	52.1 Å²	52.1	10%	0.098	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	139.2	-179.2	176.6	178.5	57.8	165.9	-4.9	111.4	W654 K655 F657 L668 N686 F718 L719 L720	R636-W654 WeakPolarHBondContact O-CA 3.29Å; R636-K655 PolarHBondContact N-O 2.97Å; R636-K655 PolarHBondContact O-N 2.8Å; R636-F657 HydrophobicContact CB-CD2 3.85Å; R636-F657 HydrophobicContact CB-CE2 3.86Å; R636-L668 VanDerWaalsContact CZ-CD1 3.46Å; R636-N686 PolarHBondContact NH1-O 2.65Å; R636-N686 PolarHBondContact NH2-OD1 2.82Å; R636-F718 HydrophobicContact CG-CD1 4.09Å; R636-L719 CarbonylContact C-O 3.53Å; R636-L719 WeakPolarHBondContact CA-O 3.33Å; R636-L720 HydrophobicContact CB-CD2 3.66Å; R636-L720 HydrophobicContact CG-CD2 3.9Å
637	K	93.9	Very high	88.1	Confident	45 Å²	45	51.5 Å²	51.5	20%	0.196	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	126.6	165.9	173.1	173.9	-169.7	101.7	0	109.4	R652 W654 L719	K637-R652 VanDerWaalsContact CE-O 3.24Å; K637-R652 WeakPolarHBondContact CE-O 3.16Å; K637-R652 WeakPolarHBondContact CG-O 3.48Å; K637-R652 PolarHBondContact NZ-O 2.75Å; K637-W654 HydrophobicContact CB-CD2 3.59Å; K637-W654 HydrophobicContact CB-CE3 3.42Å; K637-W654 VanDerWaalsContact CB-CE3 3.42Å; K637-W654 HydrophobicContact CB-CG 4.19Å; K637-W654 HydrophobicContact CB-CH2 4.2Å; K637-W654 HydrophobicContact CB-CZ2 4.34Å; K637-W654 HydrophobicContact CB-CZ3 3.74Å; K637-W654 HydrophobicContact CD-CD2 3.79Å; K637-W654 VanDerWaalsContact CD-CE2 3.49Å; K637-W654 HydrophobicContact CD-CE3 4.41Å; K637-W654 HydrophobicContact CD-CG 4.1Å; K637-W654 HydrophobicContact CD-CH2 4.49Å; K637-W654 HydrophobicContact CD-CZ2 3.88Å; K637-W654 HydrophobicContact CG-CD2 4.32Å; K637-L719 HydrophobicContact CB-CB 4.26Å; K637-L719 HydrophobicContact CD-CD1 4.28Å; K637-L719 PolarHBondContact N-O 2.84Å; K637-L719 PolarHBondContact O-N 3.5Å
638	V	91.6	Very high	88.1	Confident	37 Å²	37	49.4 Å²	49.4	22%	0.224	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	128	172.8	-164.4	0	0	0	0	108.2	T647 R652 F718	V638-T647 HydrophobicContact CB-CG2 4.33Å; V638-T647 HydrophobicContact CG1-CG2 4.06Å; V638-R652 WeakPolarHBondContact O-CG 3.39Å; V638-F718 HydrophobicContact CG1-CD1 4.39Å; V638-F718 HydrophobicContact CG1-CE1 4.22Å; V638-F718 HydrophobicContact CG2-CD1 4.2Å; V638-F718 HydrophobicContact CG2-CE1 4.11Å
639	H	89.1	Confident	87.3	Confident	29 Å²	29	53.7 Å²	53.7	13%	0.134	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	-45.3	-175.4	-169.9	117.1	0	0	0	112	W226 T647 V717 L719	W226-H639 AromaticContact CH2-NE2 3.85Å; W226-H639 AromaticContact CZ3-NE2 3.98Å; H639-T647 PolarHBondContact O-N 2.85Å; H639-V717 WeakPolarHBondContact CA-O 3.47Å; H639-V717 HydrophobicContact CB-CB 4.32Å; H639-V717 HydrophobicContact CB-CG1 4.19Å; H639-V717 VanDerWaalsContact CB-O 3.31Å; H639-V717 WeakPolarHBondContact CB-O 3.47Å; H639-V717 PolarHBondContact N-O 3.15Å; H639-L719 HydrophobicContact CB-CD1 4.45Å; H639-L719 HydrophobicContact CB-CG 4.35Å; H639-L719 WeakPolarHBondContact ND1-CD1 3.5Å
640	A	89	Confident	86.7	Confident	9 Å²	9	57.1 Å²	57.1	7%	0.074	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	146	177.8	0	0	0	0	0	112.4	K645 T647 R716 V717	A640-K645 CarbonylContact C-O 3.51Å; A640-K645 WeakPolarHBondContact CA-O 3.36Å; A640-K645 WeakPolarHBondContact CB-O 3.49Å; A640-T647 WeakPolarHBondContact CA-OG1 3.31Å; A640-T647 PolarHBondContact N-OG1 2.98Å; A640-R716 WeakPolarHBondContact O-CA 3.2Å; A640-V717 HydrophobicContact CB-CB 3.99Å; A640-V717 HydrophobicContact CB-CG2 4.13Å; A640-V717 PolarHBondContact N-O 3.36Å; A640-V717 VanDerWaalsContact N-O 3.12Å; A640-V717 PolarHBondContact O-N 2.81Å
641	D	85.7	Confident	85.9	Confident	48 Å²	48	63.5 Å²	63.5	26%	0.257	34%	0.341	S	S	.	.			trans	-89.5	170.6	178.1	-62.9	-22.9	0	0	0	110.5	D643 G644 K645 T647	D641-D643 PolarHBondContact O-N 2.87Å; D641-D643 VanDerWaalsContact O-N 3.13Å; D641-G644 WeakPolarHBondContact O-CA 3.44Å; D641-G644 PolarHBondContact O-N 2.71Å; D641-K645 PolarHBondContact N-O 2.84Å; D641-T647 VanDerWaalsContact CG-OG1 3.27Å; D641-T647 PolarHBondContact N-OG1 2.77Å; D641-T647 WeakPolarHBondContact OD1-CB 3.22Å; D641-T647 VanDerWaalsContact OD1-CG2 3.29Å; D641-T647 WeakPolarHBondContact OD1-CG2 3.4Å; D641-T647 PolarHBondContact OD1-OG1 2.79Å; D641-T647 WeakPolarHBondContact OD2-CA 3.5Å
642	P	81.6	Confident	85.4	Confident	52 Å²	52	63.9 Å²	63.9	34%	0.338	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-26.4	-170.6	-26.9	35.5	0	0	0	116.2	G644 D714 R716 R759	P642-G644 PolarHBondContact O-N 3.47Å; P642-D714 WeakPolarHBondContact CA-O 3.46Å; P642-D714 VanDerWaalsContact CB-O 3.31Å; P642-D714 WeakPolarHBondContact CB-O 3.34Å; P642-R716 HydrophobicContact CB-CG 4.49Å; P642-R716 HydrophobicContact CG-CG 3.71Å; P642-R759 PolarHBondContact O-NH1 2.85Å
643	D	71.4	Confident	85.1	Confident	87 Å²	87	64.9 Å²	64.9	47%	0.465	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.9	0.6	174.7	68.5	-11	0	0	0	113	D641 K645	D641-D643 PolarHBondContact O-N 2.87Å; D641-D643 VanDerWaalsContact O-N 3.13Å; D643-K645 PolarHBondContact O-N 2.98Å; D643-K645 VanDerWaalsContact OD1-CB 3.29Å; D643-K645 WeakPolarHBondContact OD1-CB 3.45Å; D643-K645 PolarHBondContact OD1-N 3.12Å; D643-K645 WeakPolarHBondContact OD2-CD 3.47Å; D643-K645 WeakPolarHBondContact OD2-CE 3.17Å; D643-K645 WeakPolarHBondContact OD2-CG 3.43Å; D643-K645 IonicContact OD2-NZ 3.63Å; D643-K645 PolarHBondContact OD2-NZ 2.86Å
644	G	73.9	Confident	85.1	Confident	43 Å²	43	61.7 Å²	61.7	44%	0.443	33%	0.332	S	S	.	.	S	Bend	trans	78.6	1.3	-175.8	0	0	0	0	0	113.8	D641 P642	D641-G644 WeakPolarHBondContact O-CA 3.44Å; D641-G644 PolarHBondContact O-N 2.71Å; P642-G644 PolarHBondContact O-N 3.47Å
645	K	82.5	Confident	84.9	Confident	139 Å²	139	68.2 Å²	68.2	60%	0.604	36%	0.36	S	S	*	.			trans	-77.5	154.7	176.6	-63.3	-164.7	-160.1	96.3	0	111.2	A640 D641 D643 T647	A640-K645 CarbonylContact C-O 3.51Å; A640-K645 WeakPolarHBondContact CA-O 3.36Å; A640-K645 WeakPolarHBondContact CB-O 3.49Å; D641-K645 PolarHBondContact N-O 2.84Å; D643-K645 PolarHBondContact O-N 2.98Å; D643-K645 VanDerWaalsContact OD1-CB 3.29Å; D643-K645 WeakPolarHBondContact OD1-CB 3.45Å; D643-K645 PolarHBondContact OD1-N 3.12Å; D643-K645 WeakPolarHBondContact OD2-CD 3.47Å; D643-K645 WeakPolarHBondContact OD2-CE 3.17Å; D643-K645 WeakPolarHBondContact OD2-CG 3.43Å; D643-K645 IonicContact OD2-NZ 3.63Å; D643-K645 PolarHBondContact OD2-NZ 2.86Å; K645-T647 PolarHBondContact O-N 2.89Å
646	R	85.8	Confident	84.8	Confident	116 Å²	116	71 Å²	71	44%	0.438	38%	0.377	S	S	.	.			trans	-80.4	102.7	-174.1	-146.3	-173.9	174.1	-155.5	1.9	109.2	R652	R646-R652 PolarHBondContact O-NH2 2.85Å
647	T	85.8	Confident	84.7	Confident	3 Å²	3	70 Å²	70	2%	0.018	37%	0.373	C	S	.	.			trans	-37.7	139.6	-172.6	-50.2	0	0	0	0	113.9	V638 H639 A640 D641 K645 K651 R652	V638-T647 HydrophobicContact CB-CG2 4.33Å; V638-T647 HydrophobicContact CG1-CG2 4.06Å; H639-T647 PolarHBondContact O-N 2.85Å; A640-T647 WeakPolarHBondContact CA-OG1 3.31Å; A640-T647 PolarHBondContact N-OG1 2.98Å; D641-T647 VanDerWaalsContact CG-OG1 3.27Å; D641-T647 PolarHBondContact N-OG1 2.77Å; D641-T647 WeakPolarHBondContact OD1-CB 3.22Å; D641-T647 VanDerWaalsContact OD1-CG2 3.29Å; D641-T647 WeakPolarHBondContact OD1-CG2 3.4Å; D641-T647 PolarHBondContact OD1-OG1 2.79Å; D641-T647 WeakPolarHBondContact OD2-CA 3.5Å; K645-T647 PolarHBondContact O-N 2.89Å; T647-K651 HydrophobicContact CG2-CB 3.83Å; T647-R652 HydrophobicContact CG2-CG 4.46Å; T647-R652 WeakPolarHBondContact O-CG 3.44Å; T647-R652 PolarHBondContact O-NE 2.9Å; T647-R652 PolarHBondContact O-NH2 3.17Å
648	P	82.6	Confident	84.6	Confident	78 Å²	78	68.9 Å²	68.9	51%	0.506	37%	0.368	S	S	.	.			trans	-54.3	143.5	-176.2	-29	36.3	0	0	0	114.4	G650 K651 R652	P648-G650 PolarHBondContact O-N 3.31Å; P648-K651 PolarHBondContact O-N 3.02Å; P648-R652 PolarHBondContact O-N 3.14Å
649	R	72.4	Confident	84.7	Confident	174 Å²	174	67.1 Å²	67.1	66%	0.657	36%	0.357	S	S	*	.	G	3₁₀ helix	trans	-44.7	-54.9	-172	-86.5	-173.4	170.7	-154.6	-3.3	112.7	E218 K651 R652	E218-R649 IonicContact OE1-CZ 3.49Å; E218-R649 IonicContact OE1-NH1 3.62Å; E218-R649 PolarHBondContact OE1-NH1 3.07Å; E218-R649 IonicContact OE1-NH2 3.88Å; E218-R649 PolarHBondContact OE1-NH2 3.16Å; E218-R649 IonicContact OE2-CZ 3.69Å; E218-R649 IonicContact OE2-NH1 3.53Å; E218-R649 PolarHBondContact OE2-NH1 2.91Å; E218-R649 IonicContact OE2-NH2 3.17Å; R649-K651 PolarHBondContact O-N 3.47Å; R649-R652 PolarHBondContact O-N 2.7Å
650	G	76.1	Confident	84.8	Confident	85 Å²	85	67.3 Å²	67.3	88%	0.876	36%	0.359	S	S	*	.	G	3₁₀ helix	trans	-64.2	-5.1	-179.6	0	0	0	0	0	116.5	P648	P648-G650 PolarHBondContact O-N 3.31Å
651	K	76.9	Confident	85	Confident	157 Å²	157	66.9 Å²	66.9	68%	0.683	36%	0.355	S	S	*	.	G	3₁₀ helix	trans	-107	-3.7	171.9	-66.3	-176.5	-179.5	-178.1	0	113.2	T647 P648 R649 G653	T647-K651 HydrophobicContact CG2-CB 3.83Å; P648-K651 PolarHBondContact O-N 3.02Å; R649-K651 PolarHBondContact O-N 3.47Å; K651-G653 PolarHBondContact O-N 2.7Å
652	R	82	Confident	85.2	Confident	49 Å²	49	67.7 Å²	67.7	19%	0.185	36%	0.356	C	S	.	.			trans	-91	25.5	176.6	-56.6	-161	-162.1	128.6	20.9	114.1	K637 V638 R646 T647 P648 R649	K637-R652 VanDerWaalsContact CE-O 3.24Å; K637-R652 WeakPolarHBondContact CE-O 3.16Å; K637-R652 WeakPolarHBondContact CG-O 3.48Å; K637-R652 PolarHBondContact NZ-O 2.75Å; V638-R652 WeakPolarHBondContact O-CG 3.39Å; R646-R652 PolarHBondContact O-NH2 2.85Å; T647-R652 HydrophobicContact CG2-CG 4.46Å; T647-R652 WeakPolarHBondContact O-CG 3.44Å; T647-R652 PolarHBondContact O-NE 2.9Å; T647-R652 PolarHBondContact O-NH2 3.17Å; P648-R652 PolarHBondContact O-N 3.14Å; R649-R652 PolarHBondContact O-N 2.7Å
653	G	87.8	Confident	85.5	Confident	39 Å²	39	65.4 Å²	65.4	40%	0.402	34%	0.343	S	S	.	.			trans	-59.9	143.8	173.2	0	0	0	0	0	111.5	K651	K651-G653 PolarHBondContact O-N 2.7Å
654	W	93.3	Very high	86.4	Confident	52 Å²	52	61.3 Å²	61.3	20%	0.197	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	132.6	160.8	-75.1	110.5	0	0	0	107.8	V635 R636 K637 Y701 V707 L719 Q721	V635-W654 HydrophobicContact CB-CE3 4.23Å; V635-W654 HydrophobicContact CG1-CB 4.01Å; V635-W654 HydrophobicContact CG1-CE3 3.94Å; V635-W654 WeakPolarHBondContact O-CZ3 3.21Å; R636-W654 WeakPolarHBondContact O-CA 3.29Å; K637-W654 HydrophobicContact CB-CD2 3.59Å; K637-W654 HydrophobicContact CB-CE3 3.42Å; K637-W654 VanDerWaalsContact CB-CE3 3.42Å; K637-W654 HydrophobicContact CB-CG 4.19Å; K637-W654 HydrophobicContact CB-CH2 4.2Å; K637-W654 HydrophobicContact CB-CZ2 4.34Å; K637-W654 HydrophobicContact CB-CZ3 3.74Å; K637-W654 HydrophobicContact CD-CD2 3.79Å; K637-W654 VanDerWaalsContact CD-CE2 3.49Å; K637-W654 HydrophobicContact CD-CE3 4.41Å; K637-W654 HydrophobicContact CD-CG 4.1Å; K637-W654 HydrophobicContact CD-CH2 4.49Å; K637-W654 HydrophobicContact CD-CZ2 3.88Å; K637-W654 HydrophobicContact CG-CD2 4.32Å; W654-Y701 HydrophobicContact CH2-CE1 4.43Å; W654-Y701 AromaticContact CZ2-CE1 3.83Å; W654-Y701 HydrophobicContact CZ2-CE1 3.83Å; W654-Y701 AromaticContact CZ2-CZ 3.87Å; W654-V707 HydrophobicContact CH2-CG1 4.11Å; W654-V707 HydrophobicContact CH2-CG2 4.11Å; W654-L719 HydrophobicContact CH2-CB 3.78Å; W654-L719 HydrophobicContact CZ3-CB 4.15Å; W654-Q721 HydrophobicContact CH2-CB 4.44Å; W654-Q721 HydrophobicContact CZ3-CB 4.07Å
655	K	91.7	Very high	87.3	Confident	137 Å²	137	59.2 Å²	59.2	60%	0.596	30%	0.3	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-137.3	131.6	177.1	-69	-175.9	179.3	-172.3	0	109.7	V635 R636 F657	V635-K655 CarbonylContact C-O 3.58Å; V635-K655 WeakPolarHBondContact CA-O 3.34Å; R636-K655 PolarHBondContact N-O 2.97Å; R636-K655 PolarHBondContact O-N 2.8Å; K655-F657 HydrophobicContact CB-CD2 4.41Å; K655-F657 HydrophobicContact CB-CE2 3.47Å; K655-F657 VanDerWaalsContact CB-CE2 3.47Å; K655-F657 HydrophobicContact CB-CZ 3.71Å; K655-F657 HydrophobicContact CD-CZ 4.31Å; K655-F657 WeakPolarHBondContact O-CD2 3.34Å; K655-F657 VanDerWaalsContact O-CE2 3.25Å; K655-F657 WeakPolarHBondContact O-CE2 3.31Å
656	T	92.5	Very high	87.8	Confident	85 Å²	85	52.6 Å²	52.6	52%	0.521	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	139.2	176.7	-52.7	0	0	0	0	110.2	F633	F633-T656 HydrophobicContact CD1-CG2 4.42Å
657	F	92.7	Very high	88	Confident	6 Å²	6	47.5 Å²	47.5	3%	0.026	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	149.8	174.7	-61.4	-85.2	0	0	0	109.7	F633 L634 R636 K655 L668 Q669 K670	F633-F657 WeakPolarHBondContact CA-O 3.37Å; L634-F657 PolarHBondContact N-O 3.45Å; L634-F657 PolarHBondContact O-N 3.4Å; R636-F657 HydrophobicContact CB-CD2 3.85Å; R636-F657 HydrophobicContact CB-CE2 3.86Å; K655-F657 HydrophobicContact CB-CD2 4.41Å; K655-F657 HydrophobicContact CB-CE2 3.47Å; K655-F657 VanDerWaalsContact CB-CE2 3.47Å; K655-F657 HydrophobicContact CB-CZ 3.71Å; K655-F657 HydrophobicContact CD-CZ 4.31Å; K655-F657 WeakPolarHBondContact O-CD2 3.34Å; K655-F657 VanDerWaalsContact O-CE2 3.25Å; K655-F657 WeakPolarHBondContact O-CE2 3.31Å; F657-L668 HydrophobicContact CB-CB 3.99Å; F657-L668 HydrophobicContact CB-CD2 4.08Å; F657-L668 HydrophobicContact CD1-CB 4Å; F657-L668 VanDerWaalsContact CD1-O 3.26Å; F657-L668 WeakPolarHBondContact CD1-O 3.24Å; F657-L668 HydrophobicContact CG-CB 3.93Å; F657-Q669 CarbonylContact C-O 3.59Å; F657-Q669 WeakPolarHBondContact CA-O 3.41Å; F657-Q669 WeakPolarHBondContact CB-O 3.41Å; F657-K670 HydrophobicContact CD1-CB 4.3Å; F657-K670 HydrophobicContact CE1-CB 4.24Å
658	Y	92.1	Very high	88.2	Confident	21 Å²	21	47.4 Å²	47.4	8%	0.082	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	116.6	157.3	-170.1	-89.3	0	0	0	107.9	S631 F633 M660 Q669 Y673	S631-Y658 VanDerWaalsContact CB-OH 3.31Å; S631-Y658 WeakPolarHBondContact CB-OH 3.31Å; S631-Y658 PolarHBondContact OG-OH 2.98Å; F633-Y658 HydrophobicContact CD1-CD2 4.15Å; F633-Y658 HydrophobicContact CD2-CD2 4.44Å; F633-Y658 AromaticContact CE1-CD2 3.89Å; F633-Y658 HydrophobicContact CE1-CD2 3.89Å; F633-Y658 HydrophobicContact CE2-CD2 4.19Å; F633-Y658 HydrophobicContact CG-CD2 4.43Å; F633-Y658 AromaticContact CZ-CD2 3.91Å; F633-Y658 HydrophobicContact CZ-CD2 3.91Å; Y658-M660 HydrophobicContact CD1-CE 4.47Å; Y658-M660 HydrophobicContact CD1-CG 3.86Å; Y658-M660 HydrophobicContact CD1-SD 4.31Å; Y658-M660 HydrophobicContact CE1-CG 3.59Å; Y658-M660 HydrophobicContact CE1-SD 4.02Å; Y658-Q669 PolarHBondContact N-O 2.84Å; Y658-Q669 PolarHBondContact O-N 3.25Å; Y658-Y673 AromaticContact CD1-CD2 3.69Å; Y658-Y673 HydrophobicContact CD1-CD2 3.69Å; Y658-Y673 HydrophobicContact CD1-CE2 4.29Å; Y658-Y673 HydrophobicContact CD1-CG 4.5Å; Y658-Y673 HydrophobicContact CD2-CD2 4.23Å; Y658-Y673 HydrophobicContact CD2-CG 4.31Å; Y658-Y673 AromaticContact CE1-CD2 3.25Å; Y658-Y673 HydrophobicContact CE1-CD2 3.25Å; Y658-Y673 AromaticContact CE1-CE2 3.43Å; Y658-Y673 HydrophobicContact CE1-CE2 3.43Å; Y658-Y673 VanDerWaalsContact CE1-CE2 3.43Å; Y658-Y673 HydrophobicContact CE1-CG 4.2Å; Y658-Y673 AromaticContact CE2-CD2 3.84Å; Y658-Y673 HydrophobicContact CE2-CD2 3.84Å; Y658-Y673 HydrophobicContact CE2-CE2 4.3Å; Y658-Y673 AromaticContact CE2-CG 3.99Å; Y658-Y673 HydrophobicContact CE2-CG 3.99Å; Y658-Y673 HydrophobicContact CG-CD2 4.15Å; Y658-Y673 AromaticContact CZ-CD2 3.33Å; Y658-Y673 AromaticContact CZ-CE2 3.42Å; Y658-Y673 VanDerWaalsContact CZ-CE2 3.42Å; Y658-Y673 AromaticContact CZ-CG 3.93Å; Y658-Y673 VanDerWaalsContact OH-CE2 3.28Å; Y658-Y673 WeakPolarHBondContact OH-CE2 3.31Å
659	A	93.3	Very high	88.4	Confident	0 Å²	0	44.4 Å²	44.4	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	142	-176.2	0	0	0	0	0	111.2	S631 G632 L634 L666 Y667 L668 W731	S631-A659 CarbonylContact C-O 3.55Å; S631-A659 WeakPolarHBondContact CA-O 3.29Å; S631-A659 WeakPolarHBondContact CB-O 3.18Å; G632-A659 PolarHBondContact N-O 2.87Å; G632-A659 WeakPolarHBondContact O-CA 3.34Å; G632-A659 WeakPolarHBondContact O-CB 3.1Å; G632-A659 PolarHBondContact O-N 3.47Å; L634-A659 HydrophobicContact CB-CB 4.25Å; L634-A659 HydrophobicContact CD1-CB 3.77Å; L634-A659 HydrophobicContact CG-CB 4.05Å; A659-L666 HydrophobicContact CB-CD1 4.19Å; A659-Y667 WeakPolarHBondContact CA-O 3.35Å; A659-L668 HydrophobicContact CB-CD2 3.6Å; A659-W731 HydrophobicContact CB-CH2 3.61Å; A659-W731 HydrophobicContact CB-CZ2 3.82Å; A659-W731 HydrophobicContact CB-CZ3 4.39Å
660	M	92.2	Very high	88.7	Confident	34 Å²	34	42 Å²	42	17%	0.167	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	118.5	174.6	-66.8	-177.7	-77.9	0	0	109.8	L628 Y658 L666 Y667	L628-M660 HydrophobicContact CD1-CB 4.02Å; L628-M660 HydrophobicContact CD1-CG 4.39Å; Y658-M660 HydrophobicContact CD1-CE 4.47Å; Y658-M660 HydrophobicContact CD1-CG 3.86Å; Y658-M660 HydrophobicContact CD1-SD 4.31Å; Y658-M660 HydrophobicContact CE1-CG 3.59Å; Y658-M660 HydrophobicContact CE1-SD 4.02Å; M660-L666 CarbonylContact O-C 3.58Å; M660-L666 WeakPolarHBondContact O-CA 3.25Å; M660-Y667 PolarHBondContact N-O 2.81Å; M660-Y667 PolarHBondContact O-N 3.49Å
661	L	92.8	Very high	88.1	Confident	0 Å²	0	42.9 Å²	42.9	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	100.6	174.6	179.5	63.7	0	0	0	108.8	Y629 K630 L666 V690 W731 R734 I735 V738	Y629-L661 PolarHBondContact N-O 3.34Å; K630-L661 HydrophobicContact CB-CB 4.46Å; K630-L661 PolarHBondContact O-N 3.3Å; L661-L666 HydrophobicContact CB-CD1 4.12Å; L661-L666 HydrophobicContact CD1-CB 4.49Å; L661-V690 HydrophobicContact CD1-CG1 4.35Å; L661-V690 HydrophobicContact CD1-CG2 3.87Å; L661-W731 HydrophobicContact CB-CZ3 4.17Å; L661-R734 HydrophobicContact CD2-CB 4.36Å; L661-I735 HydrophobicContact CD2-CG1 3.98Å; L661-V738 HydrophobicContact CD1-CG1 4.47Å; L661-V738 HydrophobicContact CD2-CB 4.36Å; L661-V738 HydrophobicContact CD2-CG2 4.02Å
662	K	89.3	Confident	87.1	Confident	64 Å²	64	42.9 Å²	42.9	28%	0.278	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	123.4	173.4	-76.9	-173.4	164.1	-168.9	0	109.2	A624 G626 E627 L628 L664 V665 Y667	A624-K662 PolarHBondContact O-NZ 3.44Å; G626-K662 WeakPolarHBondContact O-CD 3.35Å; G626-K662 WeakPolarHBondContact O-CG 3.2Å; E627-K662 WeakPolarHBondContact O-CA 3.45Å; L628-K662 HydrophobicContact CB-CG 4.3Å; L628-K662 HydrophobicContact CD1-CG 3.85Å; K662-L664 PolarHBondContact O-N 2.88Å; K662-V665 PolarHBondContact N-O 3.21Å; K662-V665 PolarHBondContact O-N 3.06Å; K662-V665 VanDerWaalsContact O-O 3.07Å; K662-Y667 HydrophobicContact CB-CD2 4.35Å; K662-Y667 HydrophobicContact CB-CE2 3.98Å
663	G	88.1	Confident	85.7	Confident	5 Å²	5	45.7 Å²	45.7	5%	0.052	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	51.6	-136.3	-175.6	0	0	0	0	0	112.4	E627 V665 V738	E627-G663 PolarHBondContact O-N 2.73Å; G663-V665 PolarHBondContact O-N 2.68Å; G663-V738 WeakPolarHBondContact O-CG1 3.31Å
664	L	91.3	Very high	84.3	Confident	0 Å²	0	50.1 Å²	50.1	0%	0	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.2	24.9	176.5	-73.4	175.5	0	0	0	114.2	V620 K662 S689 V690 H691 F742	V620-L664 HydrophobicContact CG1-CB 4.25Å; K662-L664 PolarHBondContact O-N 2.88Å; L664-S689 CarbonylContact O-C 3.6Å; L664-S689 WeakPolarHBondContact O-CA 3.11Å; L664-S689 PolarHBondContact O-OG 2.94Å; L664-V690 HydrophobicContact CD2-CG2 4.3Å; L664-V690 PolarHBondContact O-N 3.04Å; L664-H691 HydrophobicContact CD1-CB 4.28Å; L664-F742 HydrophobicContact CD1-CB 4.12Å; L664-F742 HydrophobicContact CD2-CB 3.84Å; L664-F742 HydrophobicContact CG-CB 3.91Å
665	V	91.7	Very high	82.4	Confident	0 Å²	0	52 Å²	52	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	127.2	-179.3	-171.2	0	0	0	0	112.3	V620 K662 G663 Y667 A687	V620-V665 HydrophobicContact CB-CG2 4.17Å; V620-V665 HydrophobicContact CG1-CG2 3.63Å; K662-V665 PolarHBondContact N-O 3.21Å; K662-V665 PolarHBondContact O-N 3.06Å; K662-V665 VanDerWaalsContact O-O 3.07Å; G663-V665 PolarHBondContact O-N 2.68Å; V665-Y667 HydrophobicContact CB-CD2 4.17Å; V665-Y667 HydrophobicContact CB-CE2 3.62Å; V665-Y667 HydrophobicContact CG1-CD1 4.16Å; V665-Y667 HydrophobicContact CG1-CD2 3.85Å; V665-Y667 HydrophobicContact CG1-CE1 3.92Å; V665-Y667 HydrophobicContact CG1-CE2 3.59Å; V665-Y667 HydrophobicContact CG1-CG 4.13Å; V665-A687 HydrophobicContact CG1-CB 3.85Å
666	L	93.4	Very high	80.4	Confident	0 Å²	0	53.9 Å²	53.9	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	95.4	165.2	-176.4	68.6	0	0	0	108.6	A659 M660 L661 L668 A687 V688 V690 L710 L720 W731 I735	A659-L666 HydrophobicContact CB-CD1 4.19Å; M660-L666 CarbonylContact O-C 3.58Å; M660-L666 WeakPolarHBondContact O-CA 3.25Å; L661-L666 HydrophobicContact CB-CD1 4.12Å; L661-L666 HydrophobicContact CD1-CB 4.49Å; L666-L668 HydrophobicContact CD2-CD2 4.35Å; L666-L668 HydrophobicContact CG-CD2 4.2Å; L666-L668 HydrophobicContact CG-CG 4.36Å; L666-A687 WeakPolarHBondContact O-CA 3.49Å; L666-V688 WeakPolarHBondContact CB-O 3.29Å; L666-V688 PolarHBondContact N-O 3.06Å; L666-V688 PolarHBondContact O-N 2.85Å; L666-V690 HydrophobicContact CB-CG1 3.94Å; L666-L710 HydrophobicContact CD2-CD2 3.96Å; L666-L720 HydrophobicContact CD2-CD1 4.37Å; L666-W731 HydrophobicContact CD1-CE3 4.45Å; L666-W731 HydrophobicContact CD1-CH2 4.26Å; L666-W731 HydrophobicContact CD1-CZ3 3.68Å; L666-I735 HydrophobicContact CD2-CD1 4.41Å
667	Y	90.4	Very high	78.6	Confident	8 Å²	8	58.7 Å²	58.7	3%	0.031	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	144.1	170.5	-60.5	-90.7	0	0	0	109.7	A621 A659 M660 K662 V665 P679 A687	A621-Y667 WeakPolarHBondContact CA-OH 3.4Å; A621-Y667 HydrophobicContact CB-CE1 4.32Å; A621-Y667 PolarHBondContact O-OH 2.88Å; A659-Y667 WeakPolarHBondContact CA-O 3.35Å; M660-Y667 PolarHBondContact N-O 2.81Å; M660-Y667 PolarHBondContact O-N 3.49Å; K662-Y667 HydrophobicContact CB-CD2 4.35Å; K662-Y667 HydrophobicContact CB-CE2 3.98Å; V665-Y667 HydrophobicContact CB-CD2 4.17Å; V665-Y667 HydrophobicContact CB-CE2 3.62Å; V665-Y667 HydrophobicContact CG1-CD1 4.16Å; V665-Y667 HydrophobicContact CG1-CD2 3.85Å; V665-Y667 HydrophobicContact CG1-CE1 3.92Å; V665-Y667 HydrophobicContact CG1-CE2 3.59Å; V665-Y667 HydrophobicContact CG1-CG 4.13Å; Y667-P679 HydrophobicContact CD1-CB 4.05Å; Y667-P679 HydrophobicContact CE1-CB 4.06Å; Y667-P679 HydrophobicContact CE1-CG 4.07Å; Y667-A687 HydrophobicContact CD1-CB 3.92Å; Y667-A687 HydrophobicContact CE1-CB 4.44Å; Y667-A687 HydrophobicContact CG-CB 4.43Å
668	L	90.1	Very high	77	Confident	1 Å²	1	64.4 Å²	64.4	1%	0.005	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	84.1	-175	-69	173.7	0	0	0	108.6	R636 F657 A659 L666 N686 V688	R636-L668 VanDerWaalsContact CZ-CD1 3.46Å; F657-L668 HydrophobicContact CB-CB 3.99Å; F657-L668 HydrophobicContact CB-CD2 4.08Å; F657-L668 HydrophobicContact CD1-CB 4Å; F657-L668 VanDerWaalsContact CD1-O 3.26Å; F657-L668 WeakPolarHBondContact CD1-O 3.24Å; F657-L668 HydrophobicContact CG-CB 3.93Å; A659-L668 HydrophobicContact CB-CD2 3.6Å; L666-L668 HydrophobicContact CD2-CD2 4.35Å; L666-L668 HydrophobicContact CG-CD2 4.2Å; L666-L668 HydrophobicContact CG-CG 4.36Å; L668-N686 HydrophobicContact CB-CB 4.34Å; L668-N686 VanDerWaalsContact O-CB 3.29Å; L668-N686 WeakPolarHBondContact O-CB 3.31Å; L668-V688 HydrophobicContact CD1-CG2 3.96Å
669	Q	87.6	Confident	75.6	Confident	15 Å²	15	65.6 Å²	65.6	7%	0.07	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	135	-177.1	176.4	158.2	78.5	0	0	110.7	F657 Y658 D683	F657-Q669 CarbonylContact C-O 3.59Å; F657-Q669 WeakPolarHBondContact CA-O 3.41Å; F657-Q669 WeakPolarHBondContact CB-O 3.41Å; Y658-Q669 PolarHBondContact N-O 2.84Å; Y658-Q669 PolarHBondContact O-N 3.25Å; Q669-D683 WeakPolarHBondContact CA-OD1 3.34Å; Q669-D683 WeakPolarHBondContact CB-OD1 3.43Å; Q669-D683 VanDerWaalsContact CG-OD1 3.32Å; Q669-D683 WeakPolarHBondContact CG-OD1 3.22Å; Q669-D683 PolarHBondContact NE2-OD2 2.84Å; Q669-D683 VanDerWaalsContact NE2-OD2 3.17Å
670	K	78.3	Confident	74.3	Confident	123 Å²	123	68.9 Å²	68.9	54%	0.535	33%	0.325	S	S	.	.			trans	-95.7	128.5	176.5	-166.7	-160.6	171.3	-65.7	0	108.7	F657	F657-K670 HydrophobicContact CD1-CB 4.3Å; F657-K670 HydrophobicContact CE1-CB 4.24Å
671	D	62	Low	73.1	Confident	105 Å²	105	74.3 Å²	74.3	56%	0.561	35%	0.35	S	S	*	.	S	Bend	trans	65.4	-170.4	-177.5	-40.4	-39.9	0	0	0	112.8
672	E	56.3	Low	71.9	Confident	156 Å²	156	78.8 Å²	78.8	73%	0.729	38%	0.375	S	S	*	.	S	Bend	trans	-45	132	-155.3	-64.9	-178.8	144.2	0	0	117.3	R674	E672-R674 PolarHBondContact O-N 3.01Å
673	Y	52.9	Low	71	Confident	108 Å²	108	76.2 Å²	76.2	42%	0.424	36%	0.364	S	S	.	.			trans	-54.9	120.8	175.5	168.5	-126.4	0	0	0	112.3	Y658 T675	Y658-Y673 AromaticContact CD1-CD2 3.69Å; Y658-Y673 HydrophobicContact CD1-CD2 3.69Å; Y658-Y673 HydrophobicContact CD1-CE2 4.29Å; Y658-Y673 HydrophobicContact CD1-CG 4.5Å; Y658-Y673 HydrophobicContact CD2-CD2 4.23Å; Y658-Y673 HydrophobicContact CD2-CG 4.31Å; Y658-Y673 AromaticContact CE1-CD2 3.25Å; Y658-Y673 HydrophobicContact CE1-CD2 3.25Å; Y658-Y673 AromaticContact CE1-CE2 3.43Å; Y658-Y673 HydrophobicContact CE1-CE2 3.43Å; Y658-Y673 VanDerWaalsContact CE1-CE2 3.43Å; Y658-Y673 HydrophobicContact CE1-CG 4.2Å; Y658-Y673 AromaticContact CE2-CD2 3.84Å; Y658-Y673 HydrophobicContact CE2-CD2 3.84Å; Y658-Y673 HydrophobicContact CE2-CE2 4.3Å; Y658-Y673 AromaticContact CE2-CG 3.99Å; Y658-Y673 HydrophobicContact CE2-CG 3.99Å; Y658-Y673 HydrophobicContact CG-CD2 4.15Å; Y658-Y673 AromaticContact CZ-CD2 3.33Å; Y658-Y673 AromaticContact CZ-CE2 3.42Å; Y658-Y673 VanDerWaalsContact CZ-CE2 3.42Å; Y658-Y673 AromaticContact CZ-CG 3.93Å; Y658-Y673 VanDerWaalsContact OH-CE2 3.28Å; Y658-Y673 WeakPolarHBondContact OH-CE2 3.31Å; Y673-T675 WeakPolarHBondContact CE1-OG1 3.44Å; Y673-T675 VanDerWaalsContact CZ-OG1 3.27Å; Y673-T675 PolarHBondContact OH-OG1 3.17Å
674	R	59.1	Low	70.2	Confident	132 Å²	132	77.3 Å²	77.3	50%	0.498	37%	0.369	S	S	.	.			trans	-121.6	93.8	176.7	-71.7	174.2	-178.7	173.3	1.7	110.9	E672 E676	E672-R674 PolarHBondContact O-N 3.01Å; R674-E676 PolarHBondContact O-N 2.95Å
675	T	51.8	Low	69.5	Low	92 Å²	92	83.3 Å²	83.3	56%	0.564	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.4	-34.5	177.7	-32.5	0	0	0	0	113.4	Y673	Y673-T675 WeakPolarHBondContact CE1-OG1 3.44Å; Y673-T675 VanDerWaalsContact CZ-OG1 3.27Å; Y673-T675 PolarHBondContact OH-OG1 3.17Å
676	E	50.2	Low	69.2	Low	176 Å²	176	85.5 Å²	85.5	82%	0.822	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.8	25.2	-164.7	-62.5	-63.3	136.4	0	0	114.2	R674	R674-E676 PolarHBondContact O-N 2.95Å
677	R	55.3	Low	68.9	Low	187 Å²	187	86 Å²	86	71%	0.706	41%	0.412	S	S	*	.	S	Bend	trans	-139.2	144.1	178.3	-69	-166.2	-177.6	-163.2	0.7	113.6
678	D	59.4	Low	69	Low	126 Å²	126	86.1 Å²	86.1	67%	0.674	41%	0.413	S	S	*	.	P	Polyproline II helix	trans	-54	147.3	166.7	-70.4	-62.1	0	0	0	111.8	T680	D678-T680 PolarHBondContact O-N 3.01Å
679	P	61.3	Low	69	Low	46 Å²	46	86.7 Å²	86.7	30%	0.299	42%	0.417	S	S	.	.	P	Polyproline II helix	trans	-60.3	123.3	177.3	25.7	-33.9	0	0	0	110.2	Y667 D683 V684	Y667-P679 HydrophobicContact CD1-CB 4.05Å; Y667-P679 HydrophobicContact CE1-CB 4.06Å; Y667-P679 HydrophobicContact CE1-CG 4.07Å; P679-D683 HydrophobicContact CB-CB 4.06Å; P679-V684 HydrophobicContact CB-CG2 4.36Å
680	T	67.1	Low	69.4	Low	68 Å²	68	86 Å²	86	42%	0.417	41%	0.414	S	S	.	.	P	Polyproline II helix	trans	-66.3	164.1	178.6	67.3	0	0	0	0	110.9	D678 D682 D683 V684	D678-T680 PolarHBondContact O-N 3.01Å; T680-D682 PolarHBondContact O-N 3.33Å; T680-D682 VanDerWaalsContact O-N 3.11Å; T680-D683 WeakPolarHBondContact CB-OD2 3.45Å; T680-D683 PolarHBondContact N-OD2 3.34Å; T680-D683 WeakPolarHBondContact O-CB 3.48Å; T680-D683 PolarHBondContact O-N 3.05Å; T680-D683 PolarHBondContact OG1-N 2.97Å; T680-D683 PolarHBondContact OG1-OD2 3.39Å; T680-V684 WeakPolarHBondContact O-CG2 3.44Å; T680-V684 PolarHBondContact O-N 3.13Å
681	E	67.1	Low	70.1	Confident	148 Å²	148	82 Å²	82	69%	0.692	40%	0.397	S	S	*	.	H	α-helix	trans	-55.2	-32.3	175.1	-66	-162.2	160.3	0	0	112.9	V684 K685	E681-V684 PolarHBondContact O-N 2.87Å; E681-K685 WeakPolarHBondContact O-CD 3.25Å; E681-K685 VanDerWaalsContact O-CE 3.27Å; E681-K685 WeakPolarHBondContact O-CE 3.1Å; E681-K685 WeakPolarHBondContact O-CG 3.17Å; E681-K685 PolarHBondContact O-N 3Å; E681-K685 IonicContact OE2-NZ 2.75Å; E681-K685 PolarHBondContact OE2-NZ 3.2Å
682	D	67	Low	71.6	Confident	95 Å²	95	77.1 Å²	77.1	51%	0.508	37%	0.371	S	S	.	.	H	α-helix	trans	-77.8	-28.9	178.1	-66.3	-44.1	0	0	0	112.8	T680 K685 N686	T680-D682 PolarHBondContact O-N 3.33Å; T680-D682 VanDerWaalsContact O-N 3.11Å; D682-K685 PolarHBondContact O-N 3.5Å; D682-K685 VanDerWaalsContact OD1-CD 3.29Å; D682-K685 WeakPolarHBondContact OD1-CD 3.37Å; D682-K685 WeakPolarHBondContact OD1-CE 3.3Å; D682-K685 IonicContact OD1-NZ 2.73Å; D682-K685 PolarHBondContact OD1-NZ 2.88Å; D682-N686 WeakPolarHBondContact O-CB 3.42Å; D682-N686 PolarHBondContact O-N 3.02Å; D682-N686 VanDerWaalsContact O-N 3.08Å; D682-N686 PolarHBondContact O-ND2 3.34Å
683	D	69.7	Low	73.5	Confident	9 Å²	9	69.7 Å²	69.7	5%	0.048	34%	0.336	C	S	.	.	H	α-helix	trans	-65.9	-42.2	168	-59.2	-48	0	0	0	110.4	Q669 P679 T680 N686 A687	Q669-D683 WeakPolarHBondContact CA-OD1 3.34Å; Q669-D683 WeakPolarHBondContact CB-OD1 3.43Å; Q669-D683 VanDerWaalsContact CG-OD1 3.32Å; Q669-D683 WeakPolarHBondContact CG-OD1 3.22Å; Q669-D683 PolarHBondContact NE2-OD2 2.84Å; Q669-D683 VanDerWaalsContact NE2-OD2 3.17Å; P679-D683 HydrophobicContact CB-CB 4.06Å; T680-D683 WeakPolarHBondContact CB-OD2 3.45Å; T680-D683 PolarHBondContact N-OD2 3.34Å; T680-D683 WeakPolarHBondContact O-CB 3.48Å; T680-D683 PolarHBondContact O-N 3.05Å; T680-D683 PolarHBondContact OG1-N 2.97Å; T680-D683 PolarHBondContact OG1-OD2 3.39Å; D683-N686 PolarHBondContact O-N 3.33Å; D683-A687 WeakPolarHBondContact O-CB 3.23Å; D683-A687 PolarHBondContact O-N 3.34Å
684	V	73.3	Confident	75.6	Confident	28 Å²	28	64.7 Å²	64.7	17%	0.17	32%	0.317	C	S	.	.	H	α-helix	trans	-63.8	-42	174	177.7	0	0	0	0	111.2	L617 A621 P679 T680 E681 N686 A687	L617-V684 HydrophobicContact CD2-CG1 4.23Å; L617-V684 WeakPolarHBondContact CD2-O 3.35Å; A621-V684 HydrophobicContact CB-CG1 4.42Å; P679-V684 HydrophobicContact CB-CG2 4.36Å; T680-V684 WeakPolarHBondContact O-CG2 3.44Å; T680-V684 PolarHBondContact O-N 3.13Å; E681-V684 PolarHBondContact O-N 2.87Å; V684-N686 PolarHBondContact O-N 3.39Å; V684-A687 PolarHBondContact O-N 2.83Å
685	K	75.8	Confident	77.5	Confident	126 Å²	126	58.4 Å²	58.4	55%	0.548	29%	0.293	S	S	.	.	H	α-helix	trans	-62.6	-26.6	174	-71.2	161.4	-142.2	160.5	0	112.9	E681 D682	E681-K685 WeakPolarHBondContact O-CD 3.25Å; E681-K685 VanDerWaalsContact O-CE 3.27Å; E681-K685 WeakPolarHBondContact O-CE 3.1Å; E681-K685 WeakPolarHBondContact O-CG 3.17Å; E681-K685 PolarHBondContact O-N 3Å; E681-K685 IonicContact OE2-NZ 2.75Å; E681-K685 PolarHBondContact OE2-NZ 3.2Å; D682-K685 PolarHBondContact O-N 3.5Å; D682-K685 VanDerWaalsContact OD1-CD 3.29Å; D682-K685 WeakPolarHBondContact OD1-CD 3.37Å; D682-K685 WeakPolarHBondContact OD1-CE 3.3Å; D682-K685 IonicContact OD1-NZ 2.73Å; D682-K685 PolarHBondContact OD1-NZ 2.88Å
686	N	84.3	Confident	79.6	Confident	46 Å²	46	57.8 Å²	57.8	25%	0.246	29%	0.285	C	S	.	.	H	α-helix	trans	-93.1	-21.2	179.8	-82.4	-75.3	0	0	0	114.6	R636 L668 D682 D683 V684	R636-N686 PolarHBondContact NH1-O 2.65Å; R636-N686 PolarHBondContact NH2-OD1 2.82Å; L668-N686 HydrophobicContact CB-CB 4.34Å; L668-N686 VanDerWaalsContact O-CB 3.29Å; L668-N686 WeakPolarHBondContact O-CB 3.31Å; D682-N686 WeakPolarHBondContact O-CB 3.42Å; D682-N686 PolarHBondContact O-N 3.02Å; D682-N686 VanDerWaalsContact O-N 3.08Å; D682-N686 PolarHBondContact O-ND2 3.34Å; D683-N686 PolarHBondContact O-N 3.33Å; V684-N686 PolarHBondContact O-N 3.39Å
687	A	88.6	Confident	81.8	Confident	12 Å²	12	57.7 Å²	57.7	10%	0.099	28%	0.277	C	S	.	.			trans	-62.5	148.1	-175.6	0	0	0	0	0	113.5	L617 V665 L666 Y667 D683 V684	L617-A687 HydrophobicContact CD2-CB 4.2Å; V665-A687 HydrophobicContact CG1-CB 3.85Å; L666-A687 WeakPolarHBondContact O-CA 3.49Å; Y667-A687 HydrophobicContact CD1-CB 3.92Å; Y667-A687 HydrophobicContact CE1-CB 4.44Å; Y667-A687 HydrophobicContact CG-CB 4.43Å; D683-A687 WeakPolarHBondContact O-CB 3.23Å; D683-A687 PolarHBondContact O-N 3.34Å; V684-A687 PolarHBondContact O-N 2.83Å
688	V	91.1	Very high	83.7	Confident	10 Å²	10	49 Å²	49	6%	0.061	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	119.2	-178.1	179	0	0	0	0	108.3	L666 L668 L710 T712 F718	L666-V688 WeakPolarHBondContact CB-O 3.29Å; L666-V688 PolarHBondContact N-O 3.06Å; L666-V688 PolarHBondContact O-N 2.85Å; L668-V688 HydrophobicContact CD1-CG2 3.96Å; V688-L710 HydrophobicContact CG1-CD2 4.23Å; V688-T712 HydrophobicContact CG1-CG2 3.66Å; V688-F718 HydrophobicContact CG1-CD2 4.22Å; V688-F718 HydrophobicContact CG1-CE2 3.66Å; V688-F718 HydrophobicContact CG1-CZ 4.26Å; V688-F718 HydrophobicContact CG2-CE1 4.32Å; V688-F718 HydrophobicContact CG2-CE2 4.02Å; V688-F718 HydrophobicContact CG2-CZ 3.86Å
689	S	91.8	Very high	85.2	Confident	13 Å²	13	46 Å²	46	9%	0.091	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	137	173.7	-176.4	0	0	0	0	110.9	L664 H691	L664-S689 CarbonylContact O-C 3.6Å; L664-S689 WeakPolarHBondContact O-CA 3.11Å; L664-S689 PolarHBondContact O-OG 2.94Å; S689-H691 PolarHBondContact OG-ND1 3.36Å
690	V	94.7	Very high	86.6	Confident	0 Å²	0	48.2 Å²	48.2	0%	0	25%	0.247	C	C	.	.			trans	-102.8	9.6	-177	-60.3	0	0	0	0	113.8	L661 L664 L666 H692 A693 I735 A739	L661-V690 HydrophobicContact CD1-CG1 4.35Å; L661-V690 HydrophobicContact CD1-CG2 3.87Å; L664-V690 HydrophobicContact CD2-CG2 4.3Å; L664-V690 PolarHBondContact O-N 3.04Å; L666-V690 HydrophobicContact CB-CG1 3.94Å; V690-H692 PolarHBondContact O-N 3.42Å; V690-A693 HydrophobicContact CB-CB 4.1Å; V690-A693 VanDerWaalsContact O-CB 3.25Å; V690-A693 WeakPolarHBondContact O-CB 3.23Å; V690-A693 PolarHBondContact O-N 3.37Å; V690-I735 HydrophobicContact CB-CG2 4.29Å; V690-I735 HydrophobicContact CG1-CG2 4.09Å; V690-A739 WeakPolarHBondContact O-CB 3.47Å
691	H	93.3	Very high	87.8	Confident	38 Å²	38	47.2 Å²	47.2	18%	0.176	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.2	129.9	170.5	71.1	-78.9	0	0	0	110.2	L664 S689 A693 A713 P763	L664-H691 HydrophobicContact CD1-CB 4.28Å; S689-H691 PolarHBondContact OG-ND1 3.36Å; H691-A693 PolarHBondContact O-N 3.23Å; H691-A713 WeakPolarHBondContact NE2-CB 3.5Å; H691-A713 WeakPolarHBondContact O-CB 3.23Å; H691-P763 PolarHBondContact CD2-O 3.48Å
692	H	93.9	Very high	88.9	Confident	3 Å²	3	51.2 Å²	51.2	1%	0.014	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	47.6	21.8	-173.6	-54.2	-104.2	0	0	0	115.7	V690 A713 S743 A744 L762 P763 R822 Y826	V690-H692 PolarHBondContact O-N 3.42Å; H692-A713 HydrophobicContact CB-CB 4.17Å; H692-S743 PolarHBondContact N-OG 2.69Å; H692-A744 PolarHBondContact CE1-O 2.85Å; H692-A744 PolarHBondContact NE2-O 2.87Å; H692-A744 VanDerWaalsContact NE2-O 3.1Å; H692-L762 HydrophobicContact CB-CD1 3.77Å; H692-P763 PolarHBondContact NE2-O 3.01Å; H692-R822 WeakPolarHBondContact O-CD 3.24Å; H692-R822 PolarHBondContact O-NH1 3.08Å; H692-Y826 VanDerWaalsContact CA-OH 3.31Å; H692-Y826 WeakPolarHBondContact CA-OH 3.24Å
693	A	96.3	Very high	90.1	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	26%	0.26	C	S	.	.			trans	-80.1	148.8	-179.9	0	0	0	0	0	111.2	V690 H691 L710 R711 Y826	V690-A693 HydrophobicContact CB-CB 4.1Å; V690-A693 VanDerWaalsContact O-CB 3.25Å; V690-A693 WeakPolarHBondContact O-CB 3.23Å; V690-A693 PolarHBondContact O-N 3.37Å; H691-A693 PolarHBondContact O-N 3.23Å; A693-L710 HydrophobicContact CB-CD1 3.91Å; A693-R711 CarbonylContact C-O 3.52Å; A693-R711 WeakPolarHBondContact CA-O 3.48Å; A693-R711 WeakPolarHBondContact CB-O 3.38Å; A693-Y826 PolarHBondContact N-OH 2.86Å; A693-Y826 PolarHBondContact O-OH 3.09Å
694	L	97.3	Very high	91.2	Very high	3 Å²	3	59.7 Å²	59.7	2%	0.016	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	122.1	173.8	-173.5	63.9	0	0	0	109.7	M696 R711 F818 T821 R822 T825	L694-M696 HydrophobicContact CD2-CG 4.04Å; L694-M696 HydrophobicContact CD2-SD 3.74Å; L694-M696 HydrophobicContact CG-CG 3.89Å; L694-M696 HydrophobicContact CG-SD 4.28Å; L694-R711 PolarHBondContact N-O 3.06Å; L694-R711 PolarHBondContact O-N 3.37Å; L694-F818 HydrophobicContact CB-CE2 3.84Å; L694-F818 HydrophobicContact CB-CZ 3.83Å; L694-F818 HydrophobicContact CD2-CD2 4.16Å; L694-F818 HydrophobicContact CD2-CE2 3.71Å; L694-F818 HydrophobicContact CD2-CZ 4.34Å; L694-F818 HydrophobicContact CG-CE2 4.37Å; L694-T821 HydrophobicContact CD2-CG2 3.97Å; L694-R822 HydrophobicContact CB-CB 4.49Å; L694-R822 HydrophobicContact CB-CG 4.2Å; L694-R822 HydrophobicContact CD1-CB 4.47Å; L694-R822 HydrophobicContact CD1-CG 4.27Å; L694-R822 HydrophobicContact CD2-CB 4.1Å; L694-T825 HydrophobicContact CD1-CG2 4.17Å
695	A	97.8	Very high	92.2	Very high	1 Å²	1	62.7 Å²	62.7	1%	0.008	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	133.4	170.1	0	0	0	0	0	110.3	F708 Y709 L710 I732 I735 N736	A695-F708 HydrophobicContact CB-CD2 4.13Å; A695-F708 HydrophobicContact CB-CE2 4.27Å; A695-Y709 CarbonylContact C-O 3.56Å; A695-Y709 VanDerWaalsContact CA-O 3.24Å; A695-Y709 WeakPolarHBondContact CA-O 3.44Å; A695-L710 HydrophobicContact CB-CD1 4.34Å; A695-I732 HydrophobicContact CB-CB 4.35Å; A695-I732 HydrophobicContact CB-CG1 4.25Å; A695-I732 HydrophobicContact CB-CG2 4.28Å; A695-I735 HydrophobicContact CB-CB 4.31Å; A695-I735 HydrophobicContact CB-CG2 4.24Å; A695-N736 PolarHBondContact N-OD1 3.37Å; A695-N736 PolarHBondContact O-ND2 3.44Å
696	M	95.7	Very high	93.2	Very high	78 Å²	78	58.8 Å²	58.8	38%	0.384	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	142.4	178.7	-57.4	-168.1	-57.7	0	0	111.4	L694 A698 F708 Y709 T821	L694-M696 HydrophobicContact CD2-CG 4.04Å; L694-M696 HydrophobicContact CD2-SD 3.74Å; L694-M696 HydrophobicContact CG-CG 3.89Å; L694-M696 HydrophobicContact CG-SD 4.28Å; M696-A698 PolarHBondContact O-N 3.4Å; M696-F708 CarbonylContact O-C 3.52Å; M696-F708 WeakPolarHBondContact O-CA 3.38Å; M696-F708 WeakPolarHBondContact O-CB 3.34Å; M696-Y709 PolarHBondContact N-O 2.93Å; M696-Y709 PolarHBondContact O-N 3.23Å; M696-T821 HydrophobicContact SD-CG2 3.94Å
697	R	96.3	Very high	93.8	Very high	174 Å²	174	56.9 Å²	56.9	66%	0.657	27%	0.269	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-56.5	130	174.3	-179.8	178.6	178.1	-176.1	0.7	111.3	A699 M728 I732	R697-A699 VanDerWaalsContact C-N 3.27Å; R697-A699 PolarHBondContact O-N 3.32Å; R697-M728 HydrophobicContact CG-CE 3.95Å; R697-M728 HydrophobicContact CG-SD 4.09Å; R697-I732 HydrophobicContact CB-CD1 4.23Å
698	A	95.1	Very high	94.3	Very high	6 Å²	6	56.3 Å²	56.3	5%	0.05	27%	0.265	C	S	.	.			trans	-82.8	68.9	-178.9	0	0	0	0	0	111	M696 D700 Y701 V707 Y709 L719	M696-A698 PolarHBondContact O-N 3.4Å; A698-D700 PolarHBondContact O-N 2.89Å; A698-D700 VanDerWaalsContact O-N 3.17Å; A698-Y701 PolarHBondContact O-N 3.37Å; A698-V707 HydrophobicContact CB-CB 4.46Å; A698-V707 HydrophobicContact CB-CG1 4.09Å; A698-V707 WeakPolarHBondContact CB-O 3.48Å; A698-V707 PolarHBondContact N-O 2.85Å; A698-Y709 HydrophobicContact CB-CD2 3.68Å; A698-Y709 HydrophobicContact CB-CE1 4.49Å; A698-Y709 HydrophobicContact CB-CE2 3.5Å; A698-Y709 HydrophobicContact CB-CG 4.25Å; A698-L719 HydrophobicContact CB-CD2 4.2Å
699	A	91.7	Very high	94.6	Very high	63 Å²	63	57.8 Å²	57.8	52%	0.521	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-15.4	-172.8	0	0	0	0	0	114.9	R697	R697-A699 VanDerWaalsContact C-N 3.27Å; R697-A699 PolarHBondContact O-N 3.32Å
700	D	90	Very high	94.8	Very high	91 Å²	91	57.2 Å²	57.2	49%	0.487	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.3	-20.2	169.8	58.1	-29.6	0	0	0	113.1	A698 R702 Y709	A698-D700 PolarHBondContact O-N 2.89Å; A698-D700 VanDerWaalsContact O-N 3.17Å; D700-R702 PolarHBondContact O-N 3.35Å; D700-Y709 VanDerWaalsContact CG-OH 3.3Å; D700-Y709 VanDerWaalsContact OD1-CE2 3.24Å; D700-Y709 WeakPolarHBondContact OD1-CE2 3.31Å; D700-Y709 PolarHBondContact OD1-OH 3.03Å; D700-Y709 PolarHBondContact OD2-OH 2.62Å
701	Y	92.1	Very high	94.9	Very high	48 Å²	48	58.6 Å²	58.6	19%	0.188	27%	0.271	C	S	.	.			trans	-86.2	97	-178.7	-165.8	-94.7	0	0	0	112.2	W654 A698 K703 R704 V707 L719	W654-Y701 HydrophobicContact CH2-CE1 4.43Å; W654-Y701 AromaticContact CZ2-CE1 3.83Å; W654-Y701 HydrophobicContact CZ2-CE1 3.83Å; W654-Y701 AromaticContact CZ2-CZ 3.87Å; A698-Y701 PolarHBondContact O-N 3.37Å; Y701-K703 HydrophobicContact CE1-CB 3.99Å; Y701-R704 HydrophobicContact CE1-CB 4.2Å; Y701-V707 HydrophobicContact CD1-CB 4.04Å; Y701-V707 HydrophobicContact CD1-CG1 3.96Å; Y701-V707 HydrophobicContact CD1-CG2 3.98Å; Y701-V707 HydrophobicContact CE1-CG2 4.22Å; Y701-V707 HydrophobicContact CG-CG1 4.47Å; Y701-L719 HydrophobicContact CD2-CD1 4.03Å; Y701-L719 HydrophobicContact CD2-CD2 4.33Å; Y701-L719 HydrophobicContact CE2-CD1 3.83Å; Y701-L719 HydrophobicContact CG-CD2 4.29Å
702	R	91	Very high	94.9	Very high	231 Å²	231	57.1 Å²	57.1	87%	0.872	26%	0.264	S	S	*	.			trans	-91.2	-14.3	-176.6	-62.2	-176.5	-179.3	-177.1	-0.2	115.6	D700 R704	D700-R702 PolarHBondContact O-N 3.35Å; R702-R704 VanDerWaalsContact C-N 3.3Å; R702-R704 PolarHBondContact O-N 2.66Å
703	K	92.1	Very high	94.7	Very high	188 Å²	188	57.6 Å²	57.6	82%	0.817	27%	0.269	S	S	*	.	S	Bend	trans	-70.8	-17.2	-172.1	-66.9	-154.6	175.5	-154.9	0	114.8	Y701	Y701-K703 HydrophobicContact CE1-CB 3.99Å
704	R	93.1	Very high	94.2	Very high	95 Å²	95	60.1 Å²	60.1	36%	0.358	28%	0.282	S	S	.	.	S	Bend	trans	-146.6	144.4	171.9	-65.7	-166.8	175.6	-166.4	-4.4	110.5	Y701 R702 V707	Y701-R704 HydrophobicContact CE1-CB 4.2Å; R702-R704 VanDerWaalsContact C-N 3.3Å; R702-R704 PolarHBondContact O-N 2.66Å; R704-V707 HydrophobicContact CB-CG2 3.85Å; R704-V707 WeakPolarHBondContact O-CG2 3.48Å
705	P	95.3	Very high	93.7	Very high	90 Å²	90	61.1 Å²	61.1	58%	0.584	29%	0.286	S	S	*	.	S	Bend	trans	-73.1	164.2	175	32.8	-36.4	0	0	0	111.7	V707	P705-V707 VanDerWaalsContact C-N 3.25Å; P705-V707 PolarHBondContact O-N 2.97Å
706	N	96.1	Very high	93.4	Very high	44 Å²	44	66.1 Å²	66.1	24%	0.235	31%	0.305	C	S	.	.	S	Bend	trans	57.8	32.5	171.6	-51.3	-25.2	0	0	0	114.4	A722 P723 S724 A725 M728	N706-A722 VanDerWaalsContact CB-O 3.24Å; N706-A722 WeakPolarHBondContact CB-O 3.35Å; N706-A722 PolarHBondContact O-N 3.12Å; N706-P723 PolarHBondContact ND2-O 3.19Å; N706-P723 VanDerWaalsContact ND2-O 3.07Å; N706-S724 VanDerWaalsContact CG-C 3.49Å; N706-S724 WeakPolarHBondContact ND2-CA 3.23Å; N706-A725 PolarHBondContact OD1-N 3.07Å; N706-M728 HydrophobicContact CB-CB 4.43Å
707	V	97.1	Very high	93.3	Very high	6 Å²	6	63.2 Å²	63.2	4%	0.036	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	136.1	179	-177.2	0	0	0	0	111.8	W654 A698 Y701 R704 P705 L719 L720 Q721	W654-V707 HydrophobicContact CH2-CG1 4.11Å; W654-V707 HydrophobicContact CH2-CG2 4.11Å; A698-V707 HydrophobicContact CB-CB 4.46Å; A698-V707 HydrophobicContact CB-CG1 4.09Å; A698-V707 WeakPolarHBondContact CB-O 3.48Å; A698-V707 PolarHBondContact N-O 2.85Å; Y701-V707 HydrophobicContact CD1-CB 4.04Å; Y701-V707 HydrophobicContact CD1-CG1 3.96Å; Y701-V707 HydrophobicContact CD1-CG2 3.98Å; Y701-V707 HydrophobicContact CE1-CG2 4.22Å; Y701-V707 HydrophobicContact CG-CG1 4.47Å; R704-V707 HydrophobicContact CB-CG2 3.85Å; R704-V707 WeakPolarHBondContact O-CG2 3.48Å; P705-V707 VanDerWaalsContact C-N 3.25Å; P705-V707 PolarHBondContact O-N 2.97Å; V707-L719 HydrophobicContact CG1-CB 4.13Å; V707-L719 HydrophobicContact CG1-CD2 3.62Å; V707-L719 HydrophobicContact CG1-CG 4.45Å; V707-L720 CarbonylContact C-O 3.52Å; V707-L720 WeakPolarHBondContact CA-O 3.22Å; V707-Q721 HydrophobicContact CG2-CB 4.05Å; V707-Q721 HydrophobicContact CG2-CG 4.01Å
708	F	97.9	Very high	93.3	Very high	0 Å²	0	55.5 Å²	55.5	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	151.3	172.4	69.4	-80.1	0	0	0	111.7	L634 A695 M696 L720 M728 W731 I732 I735	L634-F708 HydrophobicContact CD1-CZ 4.34Å; L634-F708 HydrophobicContact CD2-CE1 3.97Å; L634-F708 HydrophobicContact CD2-CZ 4.36Å; A695-F708 HydrophobicContact CB-CD2 4.13Å; A695-F708 HydrophobicContact CB-CE2 4.27Å; M696-F708 CarbonylContact O-C 3.52Å; M696-F708 WeakPolarHBondContact O-CA 3.38Å; M696-F708 WeakPolarHBondContact O-CB 3.34Å; F708-L720 HydrophobicContact CD1-CB 3.87Å; F708-L720 WeakPolarHBondContact CD1-O 3.13Å; F708-L720 HydrophobicContact CD2-CB 4.31Å; F708-L720 HydrophobicContact CD2-CD1 4.45Å; F708-L720 HydrophobicContact CE1-CB 3.45Å; F708-L720 VanDerWaalsContact CE1-CB 3.45Å; F708-L720 HydrophobicContact CE1-CD1 4.4Å; F708-L720 HydrophobicContact CE2-CB 3.94Å; F708-L720 HydrophobicContact CE2-CD1 3.59Å; F708-L720 HydrophobicContact CE2-CG 4.37Å; F708-L720 HydrophobicContact CG-CB 4.29Å; F708-L720 HydrophobicContact CZ-CB 3.49Å; F708-L720 VanDerWaalsContact CZ-CB 3.49Å; F708-L720 HydrophobicContact CZ-CD1 3.56Å; F708-L720 HydrophobicContact CZ-CG 4.16Å; F708-L720 PolarHBondContact N-O 2.94Å; F708-L720 PolarHBondContact O-N 3.32Å; F708-M728 HydrophobicContact CB-CG 4.11Å; F708-M728 HydrophobicContact CB-SD 4.47Å; F708-M728 HydrophobicContact CD1-CG 3.89Å; F708-M728 HydrophobicContact CG-CG 4.36Å; F708-W731 HydrophobicContact CE1-CB 3.97Å; F708-W731 HydrophobicContact CE2-CB 4.39Å; F708-W731 HydrophobicContact CZ-CB 3.63Å; F708-W731 HydrophobicContact CZ-CG 4.29Å; F708-I732 HydrophobicContact CB-CD1 3.79Å; F708-I732 HydrophobicContact CB-CG1 3.91Å; F708-I732 HydrophobicContact CD2-CG1 3.82Å; F708-I732 HydrophobicContact CE2-CG1 4.45Å; F708-I732 HydrophobicContact CG-CD1 4.28Å; F708-I732 HydrophobicContact CG-CG1 3.9Å; F708-I735 HydrophobicContact CE2-CD1 4.12Å; F708-I735 HydrophobicContact CZ-CD1 4.42Å
709	Y	97.3	Very high	93.4	Very high	41 Å²	41	55.2 Å²	55.2	16%	0.161	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	139.2	166.6	-66.2	-68.4	0	0	0	109.7	A695 M696 A698 D700 V717 F718 L719	A695-Y709 CarbonylContact C-O 3.56Å; A695-Y709 VanDerWaalsContact CA-O 3.24Å; A695-Y709 WeakPolarHBondContact CA-O 3.44Å; M696-Y709 PolarHBondContact N-O 2.93Å; M696-Y709 PolarHBondContact O-N 3.23Å; A698-Y709 HydrophobicContact CB-CD2 3.68Å; A698-Y709 HydrophobicContact CB-CE1 4.49Å; A698-Y709 HydrophobicContact CB-CE2 3.5Å; A698-Y709 HydrophobicContact CB-CG 4.25Å; D700-Y709 VanDerWaalsContact CG-OH 3.3Å; D700-Y709 VanDerWaalsContact OD1-CE2 3.24Å; D700-Y709 WeakPolarHBondContact OD1-CE2 3.31Å; D700-Y709 PolarHBondContact OD1-OH 3.03Å; D700-Y709 PolarHBondContact OD2-OH 2.62Å; Y709-V717 HydrophobicContact CD1-CG1 3.6Å; Y709-V717 HydrophobicContact CE1-CG1 4.24Å; Y709-V717 HydrophobicContact CG-CG1 4.46Å; Y709-F718 CarbonylContact C-O 3.03Å; Y709-F718 WeakPolarHBondContact CA-O 3.47Å; Y709-L719 HydrophobicContact CD1-CD2 3.61Å; Y709-L719 HydrophobicContact CD1-CG 4.34Å; Y709-L719 HydrophobicContact CE1-CD2 3.38Å; Y709-L719 HydrophobicContact CE1-CG 4.19Å; Y709-L719 HydrophobicContact CG-CD2 4.48Å
710	L	97.3	Very high	93.6	Very high	1 Å²	1	52.3 Å²	52.3	1%	0.005	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	117.6	158.1	175.1	63.1	0	0	0	107.9	L666 V688 A693 A695 F718 L720 I735	L666-L710 HydrophobicContact CD2-CD2 3.96Å; V688-L710 HydrophobicContact CG1-CD2 4.23Å; A693-L710 HydrophobicContact CB-CD1 3.91Å; A695-L710 HydrophobicContact CB-CD1 4.34Å; L710-F718 HydrophobicContact CB-CB 4.44Å; L710-F718 PolarHBondContact N-O 3.41Å; L710-F718 PolarHBondContact O-N 3.41Å; L710-L720 HydrophobicContact CB-CD1 3.75Å; L710-L720 HydrophobicContact CD2-CD1 3.84Å; L710-L720 HydrophobicContact CG-CD1 4.45Å; L710-I735 HydrophobicContact CD1-CG2 3.85Å
711	R	95.7	Very high	94	Very high	30 Å²	30	49.6 Å²	49.6	11%	0.113	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	122.4	176.1	176.2	168.4	155.9	-167.8	-8	110.2	A693 L694 W715 R716 V717 F818	A693-R711 CarbonylContact C-O 3.52Å; A693-R711 WeakPolarHBondContact CA-O 3.48Å; A693-R711 WeakPolarHBondContact CB-O 3.38Å; L694-R711 PolarHBondContact N-O 3.06Å; L694-R711 PolarHBondContact O-N 3.37Å; R711-W715 VanDerWaalsContact NH2-CD2 3.3Å; R711-W715 VanDerWaalsContact NH2-CZ2 3.29Å; R711-R716 VanDerWaalsContact CA-O 3.3Å; R711-R716 WeakPolarHBondContact CA-O 3.37Å; R711-V717 HydrophobicContact CB-CG2 4.37Å; R711-V717 HydrophobicContact CG-CG2 4.27Å; R711-F818 HydrophobicContact CB-CE2 4.16Å; R711-F818 HydrophobicContact CB-CZ 4.21Å; R711-F818 VanDerWaalsContact CD-CE2 3.46Å; R711-F818 HydrophobicContact CG-CE2 3.96Å; R711-F818 HydrophobicContact CG-CZ 3.78Å; R711-F818 VanDerWaalsContact NH1-CD2 3.28Å
712	T	94.1	Very high	94.2	Very high	6 Å²	6	47.6 Å²	47.6	4%	0.037	21%	0.213	C	C	.	.			trans	-87.5	168.9	-174.8	50.4	0	0	0	0	113.1	V688 D714 W715 R716 F718	V688-T712 HydrophobicContact CG1-CG2 3.66Å; T712-D714 WeakPolarHBondContact CB-OD1 3.46Å; T712-D714 PolarHBondContact O-N 2.94Å; T712-D714 PolarHBondContact OG1-OD1 2.9Å; T712-W715 WeakPolarHBondContact O-CA 3.38Å; T712-W715 PolarHBondContact O-N 3.16Å; T712-R716 PolarHBondContact N-O 2.85Å; T712-R716 WeakPolarHBondContact OG1-CB 3.32Å; T712-R716 PolarHBondContact OG1-N 3.4Å; T712-R716 PolarHBondContact OG1-O 2.98Å; T712-F718 HydrophobicContact CG2-CE2 4.02Å
713	A	89.6	Confident	94.4	Very high	14 Å²	14	41.1 Å²	41.1	12%	0.116	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51	-41	171.5	0	0	0	0	0	113.5	H691 H692 W715 L762	H691-A713 WeakPolarHBondContact NE2-CB 3.5Å; H691-A713 WeakPolarHBondContact O-CB 3.23Å; H692-A713 HydrophobicContact CB-CB 4.17Å; A713-W715 PolarHBondContact O-N 3.32Å; A713-L762 HydrophobicContact CB-CB 4.18Å; A713-L762 HydrophobicContact CB-CD1 3.93Å
714	D	85.5	Confident	94.6	Very high	53 Å²	53	34 Å²	34	28%	0.283	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.6	16.5	177.2	77.8	-26.5	0	0	0	113.7	P642 T712 R716	P642-D714 WeakPolarHBondContact CA-O 3.46Å; P642-D714 VanDerWaalsContact CB-O 3.31Å; P642-D714 WeakPolarHBondContact CB-O 3.34Å; T712-D714 WeakPolarHBondContact CB-OD1 3.46Å; T712-D714 PolarHBondContact O-N 2.94Å; T712-D714 PolarHBondContact OG1-OD1 2.9Å; D714-R716 PolarHBondContact O-N 3.26Å; D714-R716 IonicContact OD1-NE 3.55Å; D714-R716 PolarHBondContact OD1-NE 3.06Å; D714-R716 IonicContact OD2-CZ 3.27Å; D714-R716 IonicContact OD2-NE 2.71Å; D714-R716 PolarHBondContact OD2-NE 3.37Å; D714-R716 IonicContact OD2-NH2 3.33Å; D714-R716 PolarHBondContact OD2-NH2 2.92Å
715	W	87.9	Confident	94.7	Very high	23 Å²	23	32.1 Å²	32.1	9%	0.087	18%	0.18	C	C	.	.			trans	63.9	9.4	175	-77.3	61.5	0	0	0	117.1	R711 T712 A713 R759 Y815	R711-W715 VanDerWaalsContact NH2-CD2 3.3Å; R711-W715 VanDerWaalsContact NH2-CZ2 3.29Å; T712-W715 WeakPolarHBondContact O-CA 3.38Å; T712-W715 PolarHBondContact O-N 3.16Å; A713-W715 PolarHBondContact O-N 3.32Å; W715-R759 VanDerWaalsContact CE2-CZ 3.5Å; W715-R759 HydrophobicContact CZ2-CG 4.22Å; W715-R759 VanDerWaalsContact CZ2-NE 3.32Å; W715-Y815 AromaticContact CZ2-CD2 3.63Å; W715-Y815 HydrophobicContact CZ2-CD2 3.63Å; W715-Y815 HydrophobicContact CZ2-CG 4.22Å
716	R	91.3	Very high	94.6	Very high	107 Å²	107	35.3 Å²	35.3	40%	0.404	19%	0.187	S	C	.	.			trans	-58.1	149.6	165.5	-60.7	179.9	-144.5	-148.9	-3.6	109.7	A640 P642 R711 T712 D714 F718	A640-R716 WeakPolarHBondContact O-CA 3.2Å; P642-R716 HydrophobicContact CB-CG 4.49Å; P642-R716 HydrophobicContact CG-CG 3.71Å; R711-R716 VanDerWaalsContact CA-O 3.3Å; R711-R716 WeakPolarHBondContact CA-O 3.37Å; T712-R716 PolarHBondContact N-O 2.85Å; T712-R716 WeakPolarHBondContact OG1-CB 3.32Å; T712-R716 PolarHBondContact OG1-N 3.4Å; T712-R716 PolarHBondContact OG1-O 2.98Å; D714-R716 PolarHBondContact O-N 3.26Å; D714-R716 IonicContact OD1-NE 3.55Å; D714-R716 PolarHBondContact OD1-NE 3.06Å; D714-R716 IonicContact OD2-CZ 3.27Å; D714-R716 IonicContact OD2-NE 2.71Å; D714-R716 PolarHBondContact OD2-NE 3.37Å; D714-R716 IonicContact OD2-NH2 3.33Å; D714-R716 PolarHBondContact OD2-NH2 2.92Å; R716-F718 HydrophobicContact CB-CE2 3.93Å; R716-F718 HydrophobicContact CB-CZ 4.21Å
717	V	93.9	Very high	94.5	Very high	16 Å²	16	36.9 Å²	36.9	10%	0.097	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	123.5	172.8	-176.7	0	0	0	0	109	H639 A640 Y709 R711	H639-V717 WeakPolarHBondContact CA-O 3.47Å; H639-V717 HydrophobicContact CB-CB 4.32Å; H639-V717 HydrophobicContact CB-CG1 4.19Å; H639-V717 VanDerWaalsContact CB-O 3.31Å; H639-V717 WeakPolarHBondContact CB-O 3.47Å; H639-V717 PolarHBondContact N-O 3.15Å; A640-V717 HydrophobicContact CB-CB 3.99Å; A640-V717 HydrophobicContact CB-CG2 4.13Å; A640-V717 PolarHBondContact N-O 3.36Å; A640-V717 VanDerWaalsContact N-O 3.12Å; A640-V717 PolarHBondContact O-N 2.81Å; Y709-V717 HydrophobicContact CD1-CG1 3.6Å; Y709-V717 HydrophobicContact CE1-CG1 4.24Å; Y709-V717 HydrophobicContact CG-CG1 4.46Å; R711-V717 HydrophobicContact CB-CG2 4.37Å; R711-V717 HydrophobicContact CG-CG2 4.27Å
718	F	95.6	Very high	94.4	Very high	12 Å²	12	37 Å²	37	5%	0.053	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	139	169.4	-55.1	-83.7	0	0	0	109.1	R636 V638 V688 Y709 L710 T712 R716 L720	R636-F718 HydrophobicContact CG-CD1 4.09Å; V638-F718 HydrophobicContact CG1-CD1 4.39Å; V638-F718 HydrophobicContact CG1-CE1 4.22Å; V638-F718 HydrophobicContact CG2-CD1 4.2Å; V638-F718 HydrophobicContact CG2-CE1 4.11Å; V688-F718 HydrophobicContact CG1-CD2 4.22Å; V688-F718 HydrophobicContact CG1-CE2 3.66Å; V688-F718 HydrophobicContact CG1-CZ 4.26Å; V688-F718 HydrophobicContact CG2-CE1 4.32Å; V688-F718 HydrophobicContact CG2-CE2 4.02Å; V688-F718 HydrophobicContact CG2-CZ 3.86Å; Y709-F718 CarbonylContact C-O 3.03Å; Y709-F718 WeakPolarHBondContact CA-O 3.47Å; L710-F718 HydrophobicContact CB-CB 4.44Å; L710-F718 PolarHBondContact N-O 3.41Å; L710-F718 PolarHBondContact O-N 3.41Å; T712-F718 HydrophobicContact CG2-CE2 4.02Å; R716-F718 HydrophobicContact CB-CE2 3.93Å; R716-F718 HydrophobicContact CB-CZ 4.21Å; F718-L720 HydrophobicContact CB-CG 4.47Å
719	L	96.4	Very high	94.3	Very high	1 Å²	1	40.9 Å²	40.9	1%	0.005	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	128.2	159.3	-73	165.3	0	0	0	107.2	R636 K637 H639 W654 A698 Y701 V707 Y709	R636-L719 CarbonylContact C-O 3.53Å; R636-L719 WeakPolarHBondContact CA-O 3.33Å; K637-L719 HydrophobicContact CB-CB 4.26Å; K637-L719 HydrophobicContact CD-CD1 4.28Å; K637-L719 PolarHBondContact N-O 2.84Å; K637-L719 PolarHBondContact O-N 3.5Å; H639-L719 HydrophobicContact CB-CD1 4.45Å; H639-L719 HydrophobicContact CB-CG 4.35Å; H639-L719 WeakPolarHBondContact ND1-CD1 3.5Å; W654-L719 HydrophobicContact CH2-CB 3.78Å; W654-L719 HydrophobicContact CZ3-CB 4.15Å; A698-L719 HydrophobicContact CB-CD2 4.2Å; Y701-L719 HydrophobicContact CD2-CD1 4.03Å; Y701-L719 HydrophobicContact CD2-CD2 4.33Å; Y701-L719 HydrophobicContact CE2-CD1 3.83Å; Y701-L719 HydrophobicContact CG-CD2 4.29Å; V707-L719 HydrophobicContact CG1-CB 4.13Å; V707-L719 HydrophobicContact CG1-CD2 3.62Å; V707-L719 HydrophobicContact CG1-CG 4.45Å; Y709-L719 HydrophobicContact CD1-CD2 3.61Å; Y709-L719 HydrophobicContact CD1-CG 4.34Å; Y709-L719 HydrophobicContact CE1-CD2 3.38Å; Y709-L719 HydrophobicContact CE1-CG 4.19Å; Y709-L719 HydrophobicContact CG-CD2 4.48Å
720	L	97.3	Very high	94.1	Very high	1 Å²	1	39.2 Å²	39.2	1%	0.005	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	124.7	177.7	-67.2	171.6	0	0	0	108.5	L634 V635 R636 L666 V707 F708 L710 F718	L634-L720 HydrophobicContact CD1-CD1 4.32Å; L634-L720 HydrophobicContact CD1-CD2 4.35Å; V635-L720 CarbonylContact O-C 3.57Å; V635-L720 WeakPolarHBondContact O-CA 3.4Å; R636-L720 HydrophobicContact CB-CD2 3.66Å; R636-L720 HydrophobicContact CG-CD2 3.9Å; L666-L720 HydrophobicContact CD2-CD1 4.37Å; V707-L720 CarbonylContact C-O 3.52Å; V707-L720 WeakPolarHBondContact CA-O 3.22Å; F708-L720 HydrophobicContact CD1-CB 3.87Å; F708-L720 WeakPolarHBondContact CD1-O 3.13Å; F708-L720 HydrophobicContact CD2-CB 4.31Å; F708-L720 HydrophobicContact CD2-CD1 4.45Å; F708-L720 HydrophobicContact CE1-CB 3.45Å; F708-L720 VanDerWaalsContact CE1-CB 3.45Å; F708-L720 HydrophobicContact CE1-CD1 4.4Å; F708-L720 HydrophobicContact CE2-CB 3.94Å; F708-L720 HydrophobicContact CE2-CD1 3.59Å; F708-L720 HydrophobicContact CE2-CG 4.37Å; F708-L720 HydrophobicContact CG-CB 4.29Å; F708-L720 HydrophobicContact CZ-CB 3.49Å; F708-L720 VanDerWaalsContact CZ-CB 3.49Å; F708-L720 HydrophobicContact CZ-CD1 3.56Å; F708-L720 HydrophobicContact CZ-CG 4.16Å; F708-L720 PolarHBondContact N-O 2.94Å; F708-L720 PolarHBondContact O-N 3.32Å; L710-L720 HydrophobicContact CB-CD1 3.75Å; L710-L720 HydrophobicContact CD2-CD1 3.84Å; L710-L720 HydrophobicContact CG-CD1 4.45Å; F718-L720 HydrophobicContact CB-CG 4.47Å
721	Q	97.4	Very high	94.1	Very high	35 Å²	35	39.2 Å²	39.2	16%	0.164	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	125.8	175.5	-171.5	-176.3	-1.2	0	0	109.1	L634 V635 W654 V707	L634-Q721 WeakPolarHBondContact CA-O 3.25Å; L634-Q721 WeakPolarHBondContact CD2-O 3.39Å; V635-Q721 HydrophobicContact CB-CB 4Å; V635-Q721 HydrophobicContact CG2-CB 4.31Å; V635-Q721 PolarHBondContact N-O 3.37Å; V635-Q721 PolarHBondContact O-N 2.77Å; W654-Q721 HydrophobicContact CH2-CB 4.44Å; W654-Q721 HydrophobicContact CZ3-CB 4.07Å; V707-Q721 HydrophobicContact CG2-CB 4.05Å; V707-Q721 HydrophobicContact CG2-CG 4.01Å
722	A	96.9	Very high	94.1	Very high	5 Å²	5	38.4 Å²	38.4	4%	0.041	20%	0.203	C	C	.	.			trans	-100.7	160.5	173.2	0	0	0	0	0	111.6	L634 N706 Q727 M728	L634-A722 HydrophobicContact CD2-CB 3.96Å; N706-A722 VanDerWaalsContact CB-O 3.24Å; N706-A722 WeakPolarHBondContact CB-O 3.35Å; N706-A722 PolarHBondContact O-N 3.12Å; A722-Q727 HydrophobicContact CB-CB 4.2Å; A722-M728 HydrophobicContact CB-CB 3.93Å
723	P	95.1	Very high	94.2	Very high	96 Å²	96	38.6 Å²	38.6	62%	0.623	21%	0.205	S	C	*	.	S	Bend	trans	-62.2	-45.9	-178.9	-25	35.4	0	0	0	113.8	N706	N706-P723 PolarHBondContact ND2-O 3.19Å; N706-P723 VanDerWaalsContact ND2-O 3.07Å
724	S	96.2	Very high	94.4	Very high	37 Å²	37	40 Å²	40	26%	0.259	21%	0.207	S	C	.	.	S	Bend	trans	-124	166.7	179.2	76.1	0	0	0	0	112.2	N706 E726 Q727 M728	N706-S724 VanDerWaalsContact CG-C 3.49Å; N706-S724 WeakPolarHBondContact ND2-CA 3.23Å; S724-E726 VanDerWaalsContact C-N 3.3Å; S724-E726 PolarHBondContact O-N 3.33Å; S724-Q727 PolarHBondContact O-N 2.93Å; S724-Q727 WeakPolarHBondContact OG-CG 3.41Å; S724-Q727 PolarHBondContact OG-N 3.24Å; S724-Q727 VanDerWaalsContact OG-N 3.07Å; S724-M728 PolarHBondContact O-N 2.88Å
725	A	93.9	Very high	94.9	Very high	57 Å²	57	37.4 Å²	37.4	47%	0.471	19%	0.193	S	C	.	.	H	α-helix	trans	-64.2	-36.3	175	0	0	0	0	0	112.1	N706 M728 Q729	N706-A725 PolarHBondContact OD1-N 3.07Å; A725-M728 WeakPolarHBondContact O-CB 3.44Å; A725-M728 PolarHBondContact O-N 3.23Å; A725-Q729 PolarHBondContact O-N 2.89Å
726	E	93.7	Very high	95.3	Very high	156 Å²	156	36.6 Å²	36.6	73%	0.729	19%	0.191	S	C	*	.	H	α-helix	trans	-63	-47.7	172.7	-63	157.1	-178.3	0	0	110.9	S724 M728 Q729 S730	S724-E726 VanDerWaalsContact C-N 3.3Å; S724-E726 PolarHBondContact O-N 3.33Å; E726-M728 VanDerWaalsContact C-N 3.31Å; E726-M728 PolarHBondContact O-N 3.39Å; E726-Q729 PolarHBondContact O-N 2.93Å; E726-Q729 VanDerWaalsContact O-N 3.16Å; E726-S730 VanDerWaalsContact O-CB 3.31Å; E726-S730 WeakPolarHBondContact O-CB 3.33Å; E726-S730 PolarHBondContact O-N 3.49Å
727	Q	94.4	Very high	95.4	Very high	77 Å²	77	31.8 Å²	31.8	36%	0.36	17%	0.173	S	C	.	.	H	α-helix	trans	-65.3	-35	177.6	-69.5	-62.9	-25.7	0	0	112	A722 S724 S730 W731	A722-Q727 HydrophobicContact CB-CB 4.2Å; S724-Q727 PolarHBondContact O-N 2.93Å; S724-Q727 WeakPolarHBondContact OG-CG 3.41Å; S724-Q727 PolarHBondContact OG-N 3.24Å; S724-Q727 VanDerWaalsContact OG-N 3.07Å; Q727-S730 WeakPolarHBondContact O-CB 3.13Å; Q727-S730 PolarHBondContact O-N 2.96Å; Q727-W731 PolarHBondContact O-N 3.5Å
728	M	95.8	Very high	95.4	Very high	9 Å²	9	31 Å²	31	4%	0.044	17%	0.169	C	C	.	.	H	α-helix	trans	-59.2	-49.9	170.4	176.9	-172.5	65.2	0	0	110.9	R697 N706 F708 A722 S724 A725 E726 S730 W731 I732	R697-M728 HydrophobicContact CG-CE 3.95Å; R697-M728 HydrophobicContact CG-SD 4.09Å; N706-M728 HydrophobicContact CB-CB 4.43Å; F708-M728 HydrophobicContact CB-CG 4.11Å; F708-M728 HydrophobicContact CB-SD 4.47Å; F708-M728 HydrophobicContact CD1-CG 3.89Å; F708-M728 HydrophobicContact CG-CG 4.36Å; A722-M728 HydrophobicContact CB-CB 3.93Å; S724-M728 PolarHBondContact O-N 2.88Å; A725-M728 WeakPolarHBondContact O-CB 3.44Å; A725-M728 PolarHBondContact O-N 3.23Å; E726-M728 VanDerWaalsContact C-N 3.31Å; E726-M728 PolarHBondContact O-N 3.39Å; M728-S730 VanDerWaalsContact C-N 3.34Å; M728-S730 PolarHBondContact O-N 3.16Å; M728-W731 PolarHBondContact O-N 3.22Å; M728-I732 HydrophobicContact CG-CD1 3.91Å; M728-I732 VanDerWaalsContact O-CG1 3.3Å; M728-I732 WeakPolarHBondContact O-CG1 3.37Å; M728-I732 PolarHBondContact O-N 3.36Å
729	Q	94.3	Very high	95.4	Very high	81 Å²	81	30.4 Å²	30.4	38%	0.379	17%	0.166	S	C	.	.	H	α-helix	trans	-64.2	-40.8	179.5	-169.9	61.3	24.3	0	0	111.5	A725 E726 W731 I732 T733	A725-Q729 PolarHBondContact O-N 2.89Å; E726-Q729 PolarHBondContact O-N 2.93Å; E726-Q729 VanDerWaalsContact O-N 3.16Å; Q729-W731 PolarHBondContact O-N 2.99Å; Q729-I732 PolarHBondContact O-N 3.08Å; Q729-T733 WeakPolarHBondContact O-CB 3.46Å; Q729-T733 PolarHBondContact O-N 3.46Å; Q729-T733 PolarHBondContact O-OG1 2.8Å; Q729-T733 VanDerWaalsContact O-OG1 3.08Å
730	S	94.4	Very high	95.4	Very high	6 Å²	6	30.4 Å²	30.4	4%	0.042	17%	0.166	C	C	.	.	H	α-helix	trans	-56.4	-48.3	174.3	-171.3	0	0	0	0	112.5	K630 E726 Q727 M728 R734 E845	K630-S730 WeakPolarHBondContact CE-OG 3.43Å; K630-S730 PolarHBondContact NZ-OG 3.41Å; E726-S730 VanDerWaalsContact O-CB 3.31Å; E726-S730 WeakPolarHBondContact O-CB 3.33Å; E726-S730 PolarHBondContact O-N 3.49Å; Q727-S730 WeakPolarHBondContact O-CB 3.13Å; Q727-S730 PolarHBondContact O-N 2.96Å; M728-S730 VanDerWaalsContact C-N 3.34Å; M728-S730 PolarHBondContact O-N 3.16Å; S730-R734 WeakPolarHBondContact O-CB 3.37Å; S730-R734 WeakPolarHBondContact O-CG 3.48Å; S730-R734 PolarHBondContact O-N 2.84Å; S730-E845 WeakPolarHBondContact CA-OE1 3.24Å; S730-E845 WeakPolarHBondContact CB-OE1 3.24Å; S730-E845 PolarHBondContact OG-OE1 2.78Å; S730-E845 PolarHBondContact OG-OE2 2.94Å
731	W	96.6	Very high	95.1	Very high	2 Å²	2	31.3 Å²	31.3	1%	0.008	17%	0.17	C	C	.	.	H	α-helix	trans	-63.4	-42.5	175.1	-81.6	114.5	0	0	0	112.4	K630 L634 A659 L661 L666 F708 Q727 M728 Q729 I735	K630-W731 HydrophobicContact CB-CE3 4.26Å; K630-W731 HydrophobicContact CB-CH2 4.06Å; K630-W731 HydrophobicContact CB-CZ3 3.83Å; K630-W731 HydrophobicContact CD-CD2 3.56Å; K630-W731 HydrophobicContact CD-CE3 3.69Å; K630-W731 HydrophobicContact CD-CG 4Å; K630-W731 HydrophobicContact CD-CH2 4.31Å; K630-W731 HydrophobicContact CD-CZ2 4.22Å; K630-W731 HydrophobicContact CD-CZ3 4.07Å; K630-W731 VanDerWaalsContact CE-CD2 3.45Å; K630-W731 VanDerWaalsContact CE-CE2 3.41Å; K630-W731 HydrophobicContact CG-CD2 4.28Å; K630-W731 HydrophobicContact CG-CE3 4.17Å; K630-W731 HydrophobicContact CG-CH2 3.95Å; K630-W731 HydrophobicContact CG-CZ2 4.07Å; K630-W731 HydrophobicContact CG-CZ3 4.01Å; L634-W731 HydrophobicContact CD1-CD2 3.9Å; L634-W731 HydrophobicContact CD1-CE3 4.23Å; L634-W731 HydrophobicContact CD1-CG 4.31Å; L634-W731 HydrophobicContact CD1-CH2 4.49Å; L634-W731 HydrophobicContact CD1-CZ2 4.16Å; L634-W731 HydrophobicContact CD2-CD2 4.41Å; L634-W731 HydrophobicContact CD2-CG 4.14Å; L634-W731 HydrophobicContact CG-CD2 4.35Å; L634-W731 HydrophobicContact CG-CZ2 4.22Å; A659-W731 HydrophobicContact CB-CH2 3.61Å; A659-W731 HydrophobicContact CB-CZ2 3.82Å; A659-W731 HydrophobicContact CB-CZ3 4.39Å; L661-W731 HydrophobicContact CB-CZ3 4.17Å; L666-W731 HydrophobicContact CD1-CE3 4.45Å; L666-W731 HydrophobicContact CD1-CH2 4.26Å; L666-W731 HydrophobicContact CD1-CZ3 3.68Å; F708-W731 HydrophobicContact CE1-CB 3.97Å; F708-W731 HydrophobicContact CE2-CB 4.39Å; F708-W731 HydrophobicContact CZ-CB 3.63Å; F708-W731 HydrophobicContact CZ-CG 4.29Å; Q727-W731 PolarHBondContact O-N 3.5Å; M728-W731 PolarHBondContact O-N 3.22Å; Q729-W731 PolarHBondContact O-N 2.99Å; W731-I735 HydrophobicContact CE3-CD1 4.16Å; W731-I735 HydrophobicContact CE3-CG1 4.43Å; W731-I735 WeakPolarHBondContact O-CB 3.43Å; W731-I735 WeakPolarHBondContact O-CD1 3.36Å; W731-I735 WeakPolarHBondContact O-CG1 3.37Å; W731-I735 PolarHBondContact O-N 3.48Å
732	I	96.2	Very high	94.9	Very high	13 Å²	13	31.7 Å²	31.7	7%	0.067	17%	0.172	C	C	.	.	H	α-helix	trans	-60	-53.8	176.1	-69.6	164	0	0	0	110.8	A695 R697 F708 M728 Q729 R734 N736	A695-I732 HydrophobicContact CB-CB 4.35Å; A695-I732 HydrophobicContact CB-CG1 4.25Å; A695-I732 HydrophobicContact CB-CG2 4.28Å; R697-I732 HydrophobicContact CB-CD1 4.23Å; F708-I732 HydrophobicContact CB-CD1 3.79Å; F708-I732 HydrophobicContact CB-CG1 3.91Å; F708-I732 HydrophobicContact CD2-CG1 3.82Å; F708-I732 HydrophobicContact CE2-CG1 4.45Å; F708-I732 HydrophobicContact CG-CD1 4.28Å; F708-I732 HydrophobicContact CG-CG1 3.9Å; M728-I732 HydrophobicContact CG-CD1 3.91Å; M728-I732 VanDerWaalsContact O-CG1 3.3Å; M728-I732 WeakPolarHBondContact O-CG1 3.37Å; M728-I732 PolarHBondContact O-N 3.36Å; Q729-I732 PolarHBondContact O-N 3.08Å; I732-R734 PolarHBondContact O-N 2.98Å; I732-N736 WeakPolarHBondContact O-CB 3.44Å; I732-N736 VanDerWaalsContact O-CG 3.27Å; I732-N736 PolarHBondContact O-N 2.88Å; I732-N736 PolarHBondContact O-ND2 3.32Å
733	T	94.8	Very high	94.7	Very high	10 Å²	10	31.5 Å²	31.5	6%	0.061	17%	0.17	C	C	.	.	H	α-helix	trans	-59.7	-48.8	-176.9	-61.7	0	0	0	0	111.1	Q729 N736 A737 L829 L848	Q729-T733 WeakPolarHBondContact O-CB 3.46Å; Q729-T733 PolarHBondContact O-N 3.46Å; Q729-T733 PolarHBondContact O-OG1 2.8Å; Q729-T733 VanDerWaalsContact O-OG1 3.08Å; T733-N736 PolarHBondContact O-N 3.09Å; T733-A737 VanDerWaalsContact O-CB 3.28Å; T733-A737 WeakPolarHBondContact O-CB 3.24Å; T733-A737 PolarHBondContact O-N 2.93Å; T733-L829 HydrophobicContact CG2-CD2 4.37Å; T733-L848 HydrophobicContact CG2-CD1 3.9Å
734	R	94.4	Very high	94.4	Very high	42 Å²	42	27.4 Å²	27.4	16%	0.158	14%	0.144	C	C	.	.	H	α-helix	trans	-70.9	-40.5	-177	-66.8	-162.7	-170.1	-142.4	-4.6	113.6	Y629 L661 S730 I732 N736 A737 V738 E845	Y629-R734 WeakPolarHBondContact O-CD 3.45Å; Y629-R734 PolarHBondContact O-NH1 3.39Å; L661-R734 HydrophobicContact CD2-CB 4.36Å; S730-R734 WeakPolarHBondContact O-CB 3.37Å; S730-R734 WeakPolarHBondContact O-CG 3.48Å; S730-R734 PolarHBondContact O-N 2.84Å; I732-R734 PolarHBondContact O-N 2.98Å; R734-N736 VanDerWaalsContact C-N 3.32Å; R734-N736 PolarHBondContact O-N 2.89Å; R734-A737 PolarHBondContact O-N 2.8Å; R734-V738 WeakPolarHBondContact O-CB 3.47Å; R734-V738 VanDerWaalsContact O-CG2 3.23Å; R734-V738 WeakPolarHBondContact O-CG2 3.47Å; R734-V738 PolarHBondContact O-N 3.3Å; R734-E845 IonicContact CZ-OE2 3.58Å; R734-E845 IonicContact NE-OE2 2.84Å; R734-E845 PolarHBondContact NE-OE2 2.88Å; R734-E845 IonicContact NH2-OE2 3.19Å; R734-E845 PolarHBondContact NH2-OE2 3.42Å
735	I	96.1	Very high	93.8	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-60.8	-45.2	175	-68.7	167.7	0	0	0	110.1	L661 L666 V690 A695 F708 L710 W731 A739	L661-I735 HydrophobicContact CD2-CG1 3.98Å; L666-I735 HydrophobicContact CD2-CD1 4.41Å; V690-I735 HydrophobicContact CB-CG2 4.29Å; V690-I735 HydrophobicContact CG1-CG2 4.09Å; A695-I735 HydrophobicContact CB-CB 4.31Å; A695-I735 HydrophobicContact CB-CG2 4.24Å; F708-I735 HydrophobicContact CE2-CD1 4.12Å; F708-I735 HydrophobicContact CZ-CD1 4.42Å; L710-I735 HydrophobicContact CD1-CG2 3.85Å; W731-I735 HydrophobicContact CE3-CD1 4.16Å; W731-I735 HydrophobicContact CE3-CG1 4.43Å; W731-I735 WeakPolarHBondContact O-CB 3.43Å; W731-I735 WeakPolarHBondContact O-CD1 3.36Å; W731-I735 WeakPolarHBondContact O-CG1 3.37Å; W731-I735 PolarHBondContact O-N 3.48Å; I735-A739 VanDerWaalsContact O-CB 3.24Å; I735-A739 WeakPolarHBondContact O-CB 3.24Å; I735-A739 PolarHBondContact O-N 3.49Å
736	N	96.8	Very high	93.2	Very high	6 Å²	6	26.8 Å²	26.8	3%	0.032	13%	0.134	C	C	.	.	H	α-helix	trans	-68.3	-38.7	179.9	-70.7	-20	0	0	0	112.7	A695 I732 T733 R734 A740 T825 L829	A695-N736 PolarHBondContact N-OD1 3.37Å; A695-N736 PolarHBondContact O-ND2 3.44Å; I732-N736 WeakPolarHBondContact O-CB 3.44Å; I732-N736 VanDerWaalsContact O-CG 3.27Å; I732-N736 PolarHBondContact O-N 2.88Å; I732-N736 PolarHBondContact O-ND2 3.32Å; T733-N736 PolarHBondContact O-N 3.09Å; R734-N736 VanDerWaalsContact C-N 3.32Å; R734-N736 PolarHBondContact O-N 2.89Å; N736-A740 VanDerWaalsContact O-CB 3.24Å; N736-A740 WeakPolarHBondContact O-CB 3.3Å; N736-A740 PolarHBondContact O-N 2.88Å; N736-T825 HydrophobicContact CB-CG2 4.23Å; N736-L829 HydrophobicContact CB-CD1 3.45Å; N736-L829 VanDerWaalsContact CB-CD1 3.45Å
737	A	93.9	Very high	92.2	Very high	5 Å²	5	23.1 Å²	23.1	4%	0.041	12%	0.116	C	C	.	.	H	α-helix	trans	-66.5	-47.4	177.8	0	0	0	0	0	111.9	T733 R734 A739 A740 M741 L841	T733-A737 VanDerWaalsContact O-CB 3.28Å; T733-A737 WeakPolarHBondContact O-CB 3.24Å; T733-A737 PolarHBondContact O-N 2.93Å; R734-A737 PolarHBondContact O-N 2.8Å; A737-A739 PolarHBondContact O-N 3.32Å; A737-A740 PolarHBondContact O-N 3.16Å; A737-M741 WeakPolarHBondContact O-CB 3.18Å; A737-M741 VanDerWaalsContact O-CG 3.31Å; A737-M741 WeakPolarHBondContact O-CG 3.46Å; A737-M741 PolarHBondContact O-N 3.43Å; A737-L841 HydrophobicContact CB-CD2 4.37Å
738	V	94.2	Very high	90.8	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-60.7	-44.2	175.9	169.8	0	0	0	0	110.8	Y629 L661 G663 R734 M741 F742	Y629-V738 HydrophobicContact CD1-CG2 3.96Å; Y629-V738 HydrophobicContact CD2-CB 4.39Å; Y629-V738 HydrophobicContact CD2-CG1 3.95Å; Y629-V738 HydrophobicContact CD2-CG2 3.44Å; Y629-V738 VanDerWaalsContact CD2-CG2 3.44Å; Y629-V738 HydrophobicContact CE2-CG1 4.19Å; Y629-V738 HydrophobicContact CE2-CG2 4.06Å; Y629-V738 HydrophobicContact CG-CG2 3.4Å; L661-V738 HydrophobicContact CD1-CG1 4.47Å; L661-V738 HydrophobicContact CD2-CB 4.36Å; L661-V738 HydrophobicContact CD2-CG2 4.02Å; G663-V738 WeakPolarHBondContact O-CG1 3.31Å; R734-V738 WeakPolarHBondContact O-CB 3.47Å; R734-V738 VanDerWaalsContact O-CG2 3.23Å; R734-V738 WeakPolarHBondContact O-CG2 3.47Å; R734-V738 PolarHBondContact O-N 3.3Å; V738-M741 PolarHBondContact O-N 2.54Å; V738-F742 HydrophobicContact CG1-CD2 3.96Å; V738-F742 HydrophobicContact CG1-CE2 4.43Å; V738-F742 VanDerWaalsContact O-CD2 3.29Å; V738-F742 WeakPolarHBondContact O-CD2 3.46Å; V738-F742 PolarHBondContact O-N 3.02Å
739	A	95.1	Very high	89.1	Confident	0 Å²	0	27 Å²	27	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-67.2	-36.3	177.2	0	0	0	0	0	112.6	V690 I735 A737 S743 Y826	V690-A739 WeakPolarHBondContact O-CB 3.47Å; I735-A739 VanDerWaalsContact O-CB 3.24Å; I735-A739 WeakPolarHBondContact O-CB 3.24Å; I735-A739 PolarHBondContact O-N 3.49Å; A737-A739 PolarHBondContact O-N 3.32Å; A739-S743 WeakPolarHBondContact O-CB 3.3Å; A739-S743 PolarHBondContact O-N 3.33Å; A739-S743 PolarHBondContact O-OG 3.34Å; A739-Y826 HydrophobicContact CB-CE1 4.17Å; A739-Y826 VanDerWaalsContact CB-OH 3.23Å; A739-Y826 WeakPolarHBondContact CB-OH 3.24Å
740	A	95.2	Very high	87.1	Confident	0 Å²	0	25.8 Å²	25.8	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-66.3	-45.7	174.5	0	0	0	0	0	112.4	N736 A737 Q774 H778 Y826 L830	N736-A740 VanDerWaalsContact O-CB 3.24Å; N736-A740 WeakPolarHBondContact O-CB 3.3Å; N736-A740 PolarHBondContact O-N 2.88Å; A737-A740 PolarHBondContact O-N 3.16Å; A740-Q774 WeakPolarHBondContact O-CG 2.93Å; A740-Q774 PolarHBondContact O-NE2 2.94Å; A740-H778 PolarHBondContact O-NE2 3.45Å; A740-Y826 HydrophobicContact CB-CD1 3.73Å; A740-Y826 HydrophobicContact CB-CD2 4.06Å; A740-Y826 HydrophobicContact CB-CE1 4.36Å; A740-Y826 HydrophobicContact CB-CG 3.55Å; A740-L830 HydrophobicContact CB-CD1 4.03Å; A740-L830 HydrophobicContact CB-CG 4Å
741	M	91.9	Very high	84.5	Confident	20 Å²	20	31.9 Å²	31.9	10%	0.099	19%	0.189	C	C	.	.	H	α-helix	trans	-62.4	-48.3	178.1	-73.9	171.6	62.1	0	0	111.9	A737 V738 T767 Q774 L830 K833	A737-M741 WeakPolarHBondContact O-CB 3.18Å; A737-M741 VanDerWaalsContact O-CG 3.31Å; A737-M741 WeakPolarHBondContact O-CG 3.46Å; A737-M741 PolarHBondContact O-N 3.43Å; V738-M741 PolarHBondContact O-N 2.54Å; M741-T767 WeakPolarHBondContact O-CG2 3.29Å; M741-Q774 PolarHBondContact O-NE2 3.11Å; M741-L830 HydrophobicContact CB-CD2 4.47Å; M741-L830 HydrophobicContact CG-CD2 3.61Å; M741-K833 HydrophobicContact SD-CD 3.94Å
742	F	93.1	Very high	82.2	Confident	44 Å²	44	35.2 Å²	35.2	19%	0.193	22%	0.224	C	C	.	.	H	α-helix	trans	-106.5	-14.1	-164.8	-59.6	-63.9	0	0	0	116.3	Y629 L664 V738 A744 N766 T767	Y629-F742 AromaticContact CE2-CE2 3.87Å; Y629-F742 HydrophobicContact CE2-CE2 3.87Å; Y629-F742 AromaticContact CZ-CE2 3.66Å; Y629-F742 WeakPolarHBondContact OH-CE2 3.21Å; Y629-F742 VanDerWaalsContact OH-CZ 3.31Å; Y629-F742 WeakPolarHBondContact OH-CZ 3.44Å; L664-F742 HydrophobicContact CD1-CB 4.12Å; L664-F742 HydrophobicContact CD2-CB 3.84Å; L664-F742 HydrophobicContact CG-CB 3.91Å; V738-F742 HydrophobicContact CG1-CD2 3.96Å; V738-F742 HydrophobicContact CG1-CE2 4.43Å; V738-F742 VanDerWaalsContact O-CD2 3.29Å; V738-F742 WeakPolarHBondContact O-CD2 3.46Å; V738-F742 PolarHBondContact O-N 3.02Å; F742-A744 PolarHBondContact O-N 3.33Å; F742-N766 CarbonylContact O-C 3.58Å; F742-N766 VanDerWaalsContact O-CA 3.23Å; F742-N766 WeakPolarHBondContact O-CA 3.24Å; F742-T767 PolarHBondContact O-N 2.9Å
743	S	92.7	Very high	79.6	Confident	1 Å²	1	37.3 Å²	37.3	1%	0.007	24%	0.24	C	C	.	.	B	Isolated β-bridge	trans	-67.3	121.9	179	-56.7	0	0	0	0	111.4	H692 A739 Q774	H692-S743 PolarHBondContact N-OG 2.69Å; A739-S743 WeakPolarHBondContact O-CB 3.3Å; A739-S743 PolarHBondContact O-N 3.33Å; A739-S743 PolarHBondContact O-OG 3.34Å; S743-Q774 PolarHBondContact O-NE2 3.5Å
744	A	87.8	Confident	77.5	Confident	10 Å²	10	43 Å²	43	8%	0.083	27%	0.265	C	S	.	.	P	Polyproline II helix	trans	-63.2	156.1	174.9	0	0	0	0	0	112.4	H692 F742 P763 S765	H692-A744 PolarHBondContact CE1-O 2.85Å; H692-A744 PolarHBondContact NE2-O 2.87Å; H692-A744 VanDerWaalsContact NE2-O 3.1Å; F742-A744 PolarHBondContact O-N 3.33Å; A744-P763 HydrophobicContact CB-CB 4.33Å; A744-P763 HydrophobicContact CB-CG 3.72Å; A744-S765 VanDerWaalsContact CB-O 3.29Å; A744-S765 WeakPolarHBondContact CB-O 3.44Å; A744-S765 PolarHBondContact N-O 3.46Å
745	P	83.8	Confident	75.6	Confident	63 Å²	63	47.5 Å²	47.5	41%	0.409	29%	0.286	S	S	.	.	P	Polyproline II helix	trans	-57.1	142.3	177.8	-27	35.9	0	0	0	113.1	P763 L769	P745-P763 VanDerWaalsContact O-CG 3.31Å; P745-P763 WeakPolarHBondContact O-CG 3.48Å; P745-L769 HydrophobicContact CG-CD1 3.72Å; P745-L769 HydrophobicContact CG-CG 4.36Å
746	P	81.4	Confident	74.1	Confident	17 Å²	17	55.5 Å²	55.5	11%	0.11	32%	0.316	C	S	.	.	P	Polyproline II helix	trans	-60.8	143.7	176.8	28.9	-37.9	0	0	0	111.2	L762	P746-L762 HydrophobicContact CB-CD2 3.64Å
747	F	74	Confident	73	Confident	80 Å²	80	57 Å²	57	35%	0.351	32%	0.323	S	S	.	.	P	Polyproline II helix	trans	-58.2	146.9	179.7	-70.3	-70.4	0	0	0	111.6	L761 P763	F747-L761 HydrophobicContact CD2-CB 3.94Å; F747-L761 WeakPolarHBondContact CD2-O 3.45Å; F747-L761 PolarHBondContact N-O 2.95Å; F747-P763 HydrophobicContact CE2-CB 3.82Å; F747-P763 HydrophobicContact CE2-CG 4.38Å; F747-P763 HydrophobicContact CZ-CB 3.98Å
748	P	64.1	Low	72	Confident	104 Å²	104	60.3 Å²	60.3	68%	0.675	35%	0.346	S	S	*	.	P	Polyproline II helix	trans	-58	142.1	171.9	25.9	-34	0	0	0	110.2	A750	P748-A750 PolarHBondContact O-N 3.33Å
749	A	59.7	Low	71.3	Confident	62 Å²	62	64 Å²	64	51%	0.512	36%	0.359	S	S	.	.	P	Polyproline II helix	trans	-64.5	135.8	-178	0	0	0	0	0	110.6	I751	A749-I751 PolarHBondContact O-N 2.98Å
750	A	52	Low	70.4	Confident	57 Å²	57	66.2 Å²	66.2	47%	0.471	37%	0.374	S	S	.	.			trans	-59.8	109.4	-177.4	0	0	0	0	0	111.3	P748 G752	P748-A750 PolarHBondContact O-N 3.33Å; A750-G752 PolarHBondContact O-N 2.86Å
751	I	41.7	Very low	69.5	Low	133 Å²	133	72 Å²	72	68%	0.682	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.6	130.8	177.9	-56.3	174.7	0	0	0	108.2	H289 A749	H289-I751 PolarHBondContact CE1-O 2.8Å; A749-I751 PolarHBondContact O-N 2.98Å
752	G	46.5	Very low	69.1	Low	72 Å²	72	72.4 Å²	72.4	74%	0.742	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	102.3	-29.4	177	0	0	0	0	0	116.4	A750 Q754	A750-G752 PolarHBondContact O-N 2.86Å; G752-Q754 PolarHBondContact O-N 3.48Å
753	S	43	Very low	68.6	Low	58 Å²	58	70.8 Å²	70.8	41%	0.406	40%	0.401	S	S	.	.			trans	-90.6	7.1	-175.9	79.4	0	0	0	0	115.5	K755	S753-K755 PolarHBondContact O-N 3.38Å
754	Q	49.6	Very low	67.9	Low	128 Å²	128	72 Å²	72	60%	0.598	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.9	34.1	-173.4	-65.9	-75.5	2.8	0	0	114.6	G752 R756	G752-Q754 PolarHBondContact O-N 3.48Å; Q754-R756 VanDerWaalsContact C-N 3.29Å
755	K	54.4	Low	67.5	Low	137 Å²	137	74.9 Å²	74.9	60%	0.596	43%	0.433	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.2	-19.2	167.4	-75.8	179.4	-176.2	163.2	0	112.3	S552 E555 S753	S552-K755 PolarHBondContact O-NZ 3.01Å; E555-K755 IonicContact OE2-NZ 2.98Å; E555-K755 PolarHBondContact OE2-NZ 3.12Å; S753-K755 PolarHBondContact O-N 3.38Å
756	R	64.9	Low	67.5	Low	169 Å²	169	74.6 Å²	74.6	64%	0.638	43%	0.428	S	S	*	.	S	Bend	trans	-152.1	150.4	177.5	-71.9	-174.5	-73.1	-171.9	-6.6	111.7	Q754 E808	Q754-R756 VanDerWaalsContact C-N 3.29Å; R756-E808 VanDerWaalsContact CA-OE1 3.23Å; R756-E808 WeakPolarHBondContact CA-OE1 3.46Å; R756-E808 WeakPolarHBondContact CB-OE2 3.16Å; R756-E808 WeakPolarHBondContact CD-OE2 3.33Å; R756-E808 WeakPolarHBondContact CG-OE2 3.33Å
757	F	74.8	Confident	67.8	Low	37 Å²	37	75 Å²	75	16%	0.162	43%	0.43	C	S	.	.			trans	-60.7	131.9	172.3	174.2	-107.1	0	0	0	112.3	E808 L811 R812 Y815	F757-E808 HydrophobicContact CB-CG 3.81Å; F757-E808 PolarHBondContact N-OE1 2.82Å; F757-L811 HydrophobicContact CD1-CD2 4.39Å; F757-L811 HydrophobicContact CD1-CG 4.31Å; F757-L811 HydrophobicContact CE1-CD2 4.44Å; F757-L811 HydrophobicContact CE1-CG 4.09Å; F757-R812 HydrophobicContact CB-CB 4.44Å; F757-R812 HydrophobicContact CD1-CB 3.96Å; F757-R812 HydrophobicContact CD2-CB 3.97Å; F757-R812 HydrophobicContact CD2-CG 3.7Å; F757-R812 HydrophobicContact CE1-CB 4.23Å; F757-R812 HydrophobicContact CE2-CB 4.23Å; F757-R812 HydrophobicContact CE2-CG 3.86Å; F757-R812 HydrophobicContact CG-CB 3.83Å; F757-R812 HydrophobicContact CG-CG 4.1Å; F757-R812 HydrophobicContact CZ-CB 4.37Å; F757-R812 HydrophobicContact CZ-CG 4.38Å; F757-Y815 AromaticContact CE2-CD1 3.76Å; F757-Y815 HydrophobicContact CE2-CD1 3.76Å; F757-Y815 HydrophobicContact CE2-CE1 4.29Å; F757-Y815 HydrophobicContact CE2-CG 4.49Å; F757-Y815 AromaticContact CZ-CD1 3.48Å; F757-Y815 HydrophobicContact CZ-CD1 3.48Å; F757-Y815 VanDerWaalsContact CZ-CD1 3.48Å; F757-Y815 HydrophobicContact CZ-CE1 4.28Å; F757-Y815 AromaticContact CZ-CG 3.78Å; F757-Y815 HydrophobicContact CZ-CG 3.78Å
758	S	72.6	Confident	68.5	Low	75 Å²	75	81.2 Å²	81.2	52%	0.524	46%	0.457	S	S	.	.			trans	-133.8	152.3	167.5	60.5	0	0	0	0	109.7	P760	S758-P760 WeakPolarHBondContact O-CD 3.28Å
759	R	79	Confident	69.5	Low	77 Å²	77	79 Å²	79	29%	0.291	44%	0.439	S	S	.	.	P	Polyproline II helix	trans	-68.6	126	175.2	-65.5	169.4	-179.8	168.9	1.8	108.6	P642 W715	P642-R759 PolarHBondContact O-NH1 2.85Å; W715-R759 VanDerWaalsContact CE2-CZ 3.5Å; W715-R759 HydrophobicContact CZ2-CG 4.22Å; W715-R759 VanDerWaalsContact CZ2-NE 3.32Å
760	P	75.9	Confident	71.1	Confident	46 Å²	46	79.7 Å²	79.7	30%	0.299	44%	0.437	S	S	.	.	P	Polyproline II helix	trans	-53.7	147	172	-28.3	36.9	0	0	0	112.5	S758 Y815	S758-P760 WeakPolarHBondContact O-CD 3.28Å; P760-Y815 VanDerWaalsContact CD-OH 3.29Å; P760-Y815 WeakPolarHBondContact CD-OH 3.33Å; P760-Y815 HydrophobicContact CG-CE1 4.24Å; P760-Y815 WeakPolarHBondContact CG-OH 3.35Å
761	L	77.1	Confident	72.9	Confident	121 Å²	121	81 Å²	81	63%	0.634	43%	0.434	S	S	*	.	P	Polyproline II helix	trans	-76.8	131.2	173.6	-62.8	179.3	0	0	0	109.6	F747	F747-L761 HydrophobicContact CD2-CB 3.94Å; F747-L761 WeakPolarHBondContact CD2-O 3.45Å; F747-L761 PolarHBondContact N-O 2.95Å
762	L	83.4	Confident	75.2	Confident	30 Å²	30	79.9 Å²	79.9	16%	0.157	43%	0.429	C	S	.	.			trans	-109	123.1	-178.1	-57	-179	0	0	0	108.5	H692 A713 P746	H692-L762 HydrophobicContact CB-CD1 3.77Å; A713-L762 HydrophobicContact CB-CB 4.18Å; A713-L762 HydrophobicContact CB-CD1 3.93Å; P746-L762 HydrophobicContact CB-CD2 3.64Å
763	P	81.6	Confident	77.5	Confident	10 Å²	10	80.8 Å²	80.8	7%	0.065	41%	0.414	C	S	.	.			trans	-70.1	139.8	179.6	27.6	-34.7	0	0	0	112.5	H691 H692 A744 P745 F747 S765	H691-P763 PolarHBondContact CD2-O 3.48Å; H692-P763 PolarHBondContact NE2-O 3.01Å; A744-P763 HydrophobicContact CB-CB 4.33Å; A744-P763 HydrophobicContact CB-CG 3.72Å; P745-P763 VanDerWaalsContact O-CG 3.31Å; P745-P763 WeakPolarHBondContact O-CG 3.48Å; F747-P763 HydrophobicContact CE2-CB 3.82Å; F747-P763 HydrophobicContact CE2-CG 4.38Å; F747-P763 HydrophobicContact CZ-CB 3.98Å; P763-S765 VanDerWaalsContact C-N 3.3Å
764	G	78.5	Confident	79.9	Confident	27 Å²	27	78.2 Å²	78.2	28%	0.278	40%	0.395	S	S	.	.			trans	-84.6	2.2	171.6	0	0	0	0	0	114.8
765	S	78.6	Confident	82	Confident	69 Å²	69	73 Å²	73	48%	0.483	37%	0.371	S	S	.	.	S	Bend	trans	-85.8	151.8	179.7	56.7	0	0	0	0	112.1	A744 P763	A744-S765 VanDerWaalsContact CB-O 3.29Å; A744-S765 WeakPolarHBondContact CB-O 3.44Å; A744-S765 PolarHBondContact N-O 3.46Å; P763-S765 VanDerWaalsContact C-N 3.3Å
766	N	84.1	Confident	83.9	Confident	58 Å²	58	72 Å²	72	31%	0.31	37%	0.369	S	S	.	.	B	Isolated β-bridge	trans	-57.1	146.9	168.3	-67.6	51.1	0	0	0	111.4	Q623 F742	Q623-N766 PolarHBondContact NE2-OD1 3.06Å; F742-N766 CarbonylContact O-C 3.58Å; F742-N766 VanDerWaalsContact O-CA 3.23Å; F742-N766 WeakPolarHBondContact O-CA 3.24Å
767	T	88.1	Confident	85.2	Confident	26 Å²	26	65.2 Å²	65.2	16%	0.16	35%	0.349	C	S	.	.	P	Polyproline II helix	trans	-62	153.7	171	-162.4	0	0	0	0	111.5	M741 F742 L769 Q774	M741-T767 WeakPolarHBondContact O-CG2 3.29Å; F742-T767 PolarHBondContact O-N 2.9Å; T767-L769 PolarHBondContact OG1-N 3.47Å; T767-Q774 PolarHBondContact OG1-OE1 2.74Å
768	K	88	Confident	86.2	Confident	210 Å²	210	64 Å²	64	91%	0.913	34%	0.343	S	S	*	.			trans	-105.3	-2	169.4	-64.4	-173.4	179	-176.4	0	112.6
769	L	87	Confident	87.3	Confident	58 Å²	58	62.5 Å²	62.5	30%	0.304	33%	0.328	S	S	.	.	S	Bend	trans	-77.7	148.9	179.8	-60.9	-176	0	0	0	110.8	P745 T767 E773 Q774 A777	P745-L769 HydrophobicContact CG-CD1 3.72Å; P745-L769 HydrophobicContact CG-CG 4.36Å; T767-L769 PolarHBondContact OG1-N 3.47Å; L769-E773 HydrophobicContact CB-CB 3.89Å; L769-E773 HydrophobicContact CD1-CB 4.37Å; L769-E773 HydrophobicContact CD2-CB 4.23Å; L769-E773 HydrophobicContact CG-CB 4.38Å; L769-Q774 HydrophobicContact CB-CB 4.21Å; L769-A777 HydrophobicContact CD1-CB 4.05Å
770	T	91.4	Very high	88.1	Confident	76 Å²	76	62.1 Å²	62.1	47%	0.466	33%	0.332	S	S	.	.			trans	-64	165.8	163.8	59.9	0	0	0	0	111	D772 E773 Q774	T770-D772 VanDerWaalsContact C-N 3.29Å; T770-D772 PolarHBondContact O-N 2.92Å; T770-E773 WeakPolarHBondContact CB-OE2 3.36Å; T770-E773 WeakPolarHBondContact CG2-OE2 3.45Å; T770-E773 PolarHBondContact N-OE2 3.36Å; T770-E773 PolarHBondContact O-N 2.82Å; T770-E773 WeakPolarHBondContact OG1-CB 3.31Å; T770-E773 VanDerWaalsContact OG1-CD 3.28Å; T770-E773 VanDerWaalsContact OG1-CG 3.25Å; T770-E773 WeakPolarHBondContact OG1-CG 3.2Å; T770-E773 PolarHBondContact OG1-N 3.49Å; T770-E773 PolarHBondContact OG1-OE2 3.38Å; T770-Q774 WeakPolarHBondContact O-CB 3.33Å; T770-Q774 PolarHBondContact O-N 3.35Å
771	Q	90	Very high	88.9	Confident	85 Å²	85	64.6 Å²	64.6	40%	0.397	34%	0.335	S	S	.	.	H	α-helix	trans	-64.3	-34.7	-178.1	-64.8	-171.4	24.6	0	0	112.2	L775 M834	Q771-L775 WeakPolarHBondContact O-CB 3.47Å; Q771-L775 PolarHBondContact O-N 2.98Å; Q771-M834 HydrophobicContact CB-SD 4.5Å
772	D	91.6	Very high	89.7	Confident	109 Å²	109	60.5 Å²	60.5	58%	0.583	31%	0.312	S	S	*	.	H	α-helix	trans	-64.6	-50.3	173.8	-58	-97.9	0	0	0	112.7	T770 Q774 L775 Q776 M834	T770-D772 VanDerWaalsContact C-N 3.29Å; T770-D772 PolarHBondContact O-N 2.92Å; D772-Q774 VanDerWaalsContact C-N 3.31Å; D772-Q774 PolarHBondContact O-N 2.98Å; D772-L775 PolarHBondContact O-N 3.34Å; D772-Q776 WeakPolarHBondContact O-CB 3.32Å; D772-Q776 PolarHBondContact O-N 3.33Å; D772-M834 HydrophobicContact CB-CE 4.15Å; D772-M834 VanDerWaalsContact CG-CE 3.49Å; D772-M834 WeakPolarHBondContact OD1-CE 3.5Å
773	E	93.1	Very high	90.3	Very high	91 Å²	91	65.5 Å²	65.5	43%	0.425	33%	0.329	S	S	.	.	H	α-helix	trans	-62.7	-38.7	175.9	-70.4	168.5	125.2	0	0	111.7	L769 T770 Q776 A777	L769-E773 HydrophobicContact CB-CB 3.89Å; L769-E773 HydrophobicContact CD1-CB 4.37Å; L769-E773 HydrophobicContact CD2-CB 4.23Å; L769-E773 HydrophobicContact CG-CB 4.38Å; T770-E773 WeakPolarHBondContact CB-OE2 3.36Å; T770-E773 WeakPolarHBondContact CG2-OE2 3.45Å; T770-E773 PolarHBondContact N-OE2 3.36Å; T770-E773 PolarHBondContact O-N 2.82Å; T770-E773 WeakPolarHBondContact OG1-CB 3.31Å; T770-E773 VanDerWaalsContact OG1-CD 3.28Å; T770-E773 VanDerWaalsContact OG1-CG 3.25Å; T770-E773 WeakPolarHBondContact OG1-CG 3.2Å; T770-E773 PolarHBondContact OG1-N 3.49Å; T770-E773 PolarHBondContact OG1-OE2 3.38Å; E773-Q776 PolarHBondContact O-N 3.06Å; E773-A777 VanDerWaalsContact O-CB 3.25Å; E773-A777 WeakPolarHBondContact O-CB 3.38Å; E773-A777 PolarHBondContact O-N 2.98Å
774	Q	93.6	Very high	90.8	Very high	3 Å²	3	67.2 Å²	67.2	1%	0.014	34%	0.344	C	S	.	.	H	α-helix	trans	-64.9	-44.8	176.6	-176.1	75.5	-2.7	0	0	110.8	A740 M741 S743 T767 L769 T770 D772 A777 H778 L830	A740-Q774 WeakPolarHBondContact O-CG 2.93Å; A740-Q774 PolarHBondContact O-NE2 2.94Å; M741-Q774 PolarHBondContact O-NE2 3.11Å; S743-Q774 PolarHBondContact O-NE2 3.5Å; T767-Q774 PolarHBondContact OG1-OE1 2.74Å; L769-Q774 HydrophobicContact CB-CB 4.21Å; T770-Q774 WeakPolarHBondContact O-CB 3.33Å; T770-Q774 PolarHBondContact O-N 3.35Å; D772-Q774 VanDerWaalsContact C-N 3.31Å; D772-Q774 PolarHBondContact O-N 2.98Å; Q774-A777 PolarHBondContact O-N 3.02Å; Q774-H778 PolarHBondContact NE2-NE2 2.87Å; Q774-H778 VanDerWaalsContact NE2-NE2 3.17Å; Q774-H778 PolarHBondContact O-CD2 3.49Å; Q774-H778 PolarHBondContact O-N 3.45Å; Q774-L830 HydrophobicContact CG-CD1 4.13Å
775	L	94.6	Very high	91.5	Very high	19 Å²	19	66.2 Å²	66.2	10%	0.099	33%	0.332	C	S	.	.	H	α-helix	trans	-59	-50.6	171.8	170.6	58.9	0	0	0	110.8	Q771 D772 A777 H778 E779 A827 L830 R831 M834	Q771-L775 WeakPolarHBondContact O-CB 3.47Å; Q771-L775 PolarHBondContact O-N 2.98Å; D772-L775 PolarHBondContact O-N 3.34Å; L775-A777 VanDerWaalsContact C-N 3.29Å; L775-A777 PolarHBondContact O-N 3.36Å; L775-H778 PolarHBondContact O-N 2.92Å; L775-H778 VanDerWaalsContact O-N 3.14Å; L775-E779 HydrophobicContact CD1-CG 4.08Å; L775-E779 WeakPolarHBondContact O-CG 3.49Å; L775-E779 PolarHBondContact O-N 3.19Å; L775-A827 HydrophobicContact CD1-CB 3.95Å; L775-A827 VanDerWaalsContact CD1-O 3.28Å; L775-A827 WeakPolarHBondContact CD1-O 3.35Å; L775-L830 HydrophobicContact CB-CB 4.3Å; L775-L830 HydrophobicContact CD1-CB 4.09Å; L775-R831 HydrophobicContact CD1-CB 4.28Å; L775-R831 HydrophobicContact CD2-CB 4.14Å; L775-R831 HydrophobicContact CD2-CG 4.46Å; L775-M834 HydrophobicContact CB-SD 4.01Å; L775-M834 HydrophobicContact CD2-CE 4.04Å; L775-M834 HydrophobicContact CD2-SD 3.58Å; L775-M834 VanDerWaalsContact CD2-SD 3.58Å; L775-M834 HydrophobicContact CG-SD 4.42Å
776	Q	94.3	Very high	92.2	Very high	117 Å²	117	64.1 Å²	64.1	55%	0.547	32%	0.318	S	S	.	.	H	α-helix	trans	-60.6	-38.1	180	-162.1	-166.9	57.8	0	0	111.8	D772 E773 E779 N780	D772-Q776 WeakPolarHBondContact O-CB 3.32Å; D772-Q776 PolarHBondContact O-N 3.33Å; E773-Q776 PolarHBondContact O-N 3.06Å; Q776-E779 PolarHBondContact O-N 2.87Å; Q776-N780 VanDerWaalsContact O-CB 3.27Å; Q776-N780 WeakPolarHBondContact O-CB 3.5Å; Q776-N780 PolarHBondContact O-N 3.36Å; Q776-N780 PolarHBondContact O-ND2 3.12Å
777	A	92.9	Very high	92.7	Very high	26 Å²	26	64.2 Å²	64.2	22%	0.215	32%	0.323	C	S	.	.	H	α-helix	trans	-63.6	-42.6	175.1	0	0	0	0	0	112.3	L769 E773 Q774 L775 R781	L769-A777 HydrophobicContact CD1-CB 4.05Å; E773-A777 VanDerWaalsContact O-CB 3.25Å; E773-A777 WeakPolarHBondContact O-CB 3.38Å; E773-A777 PolarHBondContact O-N 2.98Å; Q774-A777 PolarHBondContact O-N 3.02Å; L775-A777 VanDerWaalsContact C-N 3.29Å; L775-A777 PolarHBondContact O-N 3.36Å; A777-R781 WeakPolarHBondContact O-CB 3.49Å; A777-R781 WeakPolarHBondContact O-CG 3.27Å; A777-R781 PolarHBondContact O-N 2.87Å
778	H	95.6	Very high	92.8	Very high	10 Å²	10	65.7 Å²	65.7	5%	0.046	33%	0.328	C	S	.	.	H	α-helix	trans	-68.4	-39	175.6	-65.1	-49.9	0	0	0	112.3	A740 Q774 L775 R781 F782 Y823 Y826 A827 L830	A740-H778 PolarHBondContact O-NE2 3.45Å; Q774-H778 PolarHBondContact NE2-NE2 2.87Å; Q774-H778 VanDerWaalsContact NE2-NE2 3.17Å; Q774-H778 PolarHBondContact O-CD2 3.49Å; Q774-H778 PolarHBondContact O-N 3.45Å; L775-H778 PolarHBondContact O-N 2.92Å; L775-H778 VanDerWaalsContact O-N 3.14Å; H778-R781 PolarHBondContact O-N 3.43Å; H778-F782 WeakPolarHBondContact O-CB 3.39Å; H778-F782 PolarHBondContact O-N 3.14Å; H778-Y823 HydrophobicContact CB-CD1 4.2Å; H778-Y823 AromaticContact ND1-CD1 3.38Å; H778-Y823 WeakPolarHBondContact ND1-CD1 3.34Å; H778-Y823 AromaticContact ND1-CE1 3.52Å; H778-Y826 AromaticContact CE1-CD2 3.6Å; H778-Y826 AromaticContact ND1-CD2 3.74Å; H778-A827 HydrophobicContact CB-CB 4.21Å; H778-L830 VanDerWaalsContact CD2-CD1 3.46Å; H778-L830 WeakPolarHBondContact CD2-CD1 3.37Å
779	E	95.6	Very high	93	Very high	45 Å²	45	57.6 Å²	57.6	21%	0.21	30%	0.295	C	S	.	.	H	α-helix	trans	-64.7	-43.7	173.9	-72	-173.4	176.4	0	0	112.8	L775 Q776 R781 F782 R783 A827 R831	L775-E779 HydrophobicContact CD1-CG 4.08Å; L775-E779 WeakPolarHBondContact O-CG 3.49Å; L775-E779 PolarHBondContact O-N 3.19Å; Q776-E779 PolarHBondContact O-N 2.87Å; E779-R781 VanDerWaalsContact C-N 3.31Å; E779-R781 PolarHBondContact O-N 3.39Å; E779-F782 PolarHBondContact O-N 3.22Å; E779-R783 WeakPolarHBondContact O-CB 3.28Å; E779-R783 PolarHBondContact O-N 3.07Å; E779-R783 IonicContact OE2-NH2 3.88Å; E779-A827 HydrophobicContact CG-CB 3.87Å; E779-R831 IonicContact OE1-CZ 2.66Å; E779-R831 IonicContact OE1-NE 3.48Å; E779-R831 PolarHBondContact OE1-NE 3.46Å; E779-R831 IonicContact OE1-NH2 3.53Å; E779-R831 PolarHBondContact OE1-NH2 3.17Å
780	N	94.4	Very high	93.2	Very high	69 Å²	69	59.4 Å²	59.4	37%	0.369	31%	0.308	S	S	.	.	H	α-helix	trans	-61.4	-41.7	175	-75.4	-27	0	0	0	110.5	Q776 R783 A784	Q776-N780 VanDerWaalsContact O-CB 3.27Å; Q776-N780 WeakPolarHBondContact O-CB 3.5Å; Q776-N780 PolarHBondContact O-N 3.36Å; Q776-N780 PolarHBondContact O-ND2 3.12Å; N780-R783 PolarHBondContact O-N 3.02Å; N780-R783 VanDerWaalsContact OD1-CZ 3.23Å; N780-R783 PolarHBondContact OD1-NH1 3.43Å; N780-R783 PolarHBondContact OD1-NH2 3.29Å; N780-A784 WeakPolarHBondContact O-CB 3.47Å; N780-A784 PolarHBondContact O-N 2.95Å
781	R	93.1	Very high	93.1	Very high	97 Å²	97	61.4 Å²	61.4	37%	0.366	31%	0.312	S	S	.	.	H	α-helix	trans	-66.7	-42.2	174.8	-79.5	-71.5	179.7	-171.4	0.2	112.9	A777 H778 E779 R783 A784 V785 Y823	A777-R781 WeakPolarHBondContact O-CB 3.49Å; A777-R781 WeakPolarHBondContact O-CG 3.27Å; A777-R781 PolarHBondContact O-N 2.87Å; H778-R781 PolarHBondContact O-N 3.43Å; E779-R781 VanDerWaalsContact C-N 3.31Å; E779-R781 PolarHBondContact O-N 3.39Å; R781-R783 PolarHBondContact O-N 2.84Å; R781-A784 PolarHBondContact O-N 2.95Å; R781-V785 WeakPolarHBondContact O-CB 3.41Å; R781-V785 VanDerWaalsContact O-CG2 3.29Å; R781-V785 WeakPolarHBondContact O-CG2 3.5Å; R781-V785 PolarHBondContact O-N 3.2Å; R781-Y823 HydrophobicContact CB-CD1 3.75Å; R781-Y823 HydrophobicContact CB-CD2 3.77Å; R781-Y823 HydrophobicContact CB-CE1 3.81Å; R781-Y823 HydrophobicContact CB-CE2 3.83Å; R781-Y823 HydrophobicContact CB-CG 3.74Å; R781-Y823 HydrophobicContact CG-CD1 4.47Å; R781-Y823 HydrophobicContact CG-CE1 4.05Å; R781-Y823 HydrophobicContact CG-CE2 4.26Å
782	F	95.3	Very high	92.9	Very high	35 Å²	35	58.3 Å²	58.3	15%	0.154	30%	0.299	C	S	.	.	H	α-helix	trans	-58.9	-45.6	174.6	175.4	-100.7	0	0	0	111.8	H778 E779 S786 K820	H778-F782 WeakPolarHBondContact O-CB 3.39Å; H778-F782 PolarHBondContact O-N 3.14Å; E779-F782 PolarHBondContact O-N 3.22Å; F782-S786 VanDerWaalsContact O-CB 3.29Å; F782-S786 WeakPolarHBondContact O-CB 3.27Å; F782-S786 PolarHBondContact O-N 3.21Å; F782-S786 PolarHBondContact O-OG 2.98Å; F782-K820 HydrophobicContact CD2-CG 3.96Å; F782-K820 WeakPolarHBondContact CD2-O 3.39Å; F782-K820 HydrophobicContact CE2-CD 4.27Å; F782-K820 HydrophobicContact CE2-CG 3.54Å; F782-K820 HydrophobicContact CZ-CG 4.37Å
783	R	95.8	Very high	92.5	Very high	136 Å²	136	56.6 Å²	56.6	51%	0.513	30%	0.3	S	S	.	.	H	α-helix	trans	-63.1	-48.4	175.9	-77.5	-176.4	-93.2	119.7	-0.9	111.9	E779 N780 R781 S786 S787	E779-R783 WeakPolarHBondContact O-CB 3.28Å; E779-R783 PolarHBondContact O-N 3.07Å; E779-R783 IonicContact OE2-NH2 3.88Å; N780-R783 PolarHBondContact O-N 3.02Å; N780-R783 VanDerWaalsContact OD1-CZ 3.23Å; N780-R783 PolarHBondContact OD1-NH1 3.43Å; N780-R783 PolarHBondContact OD1-NH2 3.29Å; R781-R783 PolarHBondContact O-N 2.84Å; R783-S786 PolarHBondContact O-N 3.3Å; R783-S787 PolarHBondContact O-N 2.9Å
784	A	92.4	Very high	91.8	Very high	45 Å²	45	55.1 Å²	55.1	37%	0.372	31%	0.308	S	S	.	.	H	α-helix	trans	-60.8	-49	179.3	0	0	0	0	0	112.7	N780 R781 S786 S787 E788	N780-A784 WeakPolarHBondContact O-CB 3.47Å; N780-A784 PolarHBondContact O-N 2.95Å; R781-A784 PolarHBondContact O-N 2.95Å; A784-S786 VanDerWaalsContact C-N 3.3Å; A784-S786 PolarHBondContact O-N 3.28Å; A784-S787 WeakPolarHBondContact O-CB 3.28Å; A784-S787 PolarHBondContact O-N 2.95Å; A784-S787 VanDerWaalsContact O-N 3.12Å; A784-E788 PolarHBondContact O-N 2.78Å
785	V	92.4	Very high	90.9	Very high	6 Å²	6	57.9 Å²	57.9	4%	0.036	33%	0.332	C	S	.	.	H	α-helix	trans	-63.6	-35.7	178.5	170	0	0	0	0	111.6	R781 L789 L816 E819 K820	R781-V785 WeakPolarHBondContact O-CB 3.41Å; R781-V785 VanDerWaalsContact O-CG2 3.29Å; R781-V785 WeakPolarHBondContact O-CG2 3.5Å; R781-V785 PolarHBondContact O-N 3.2Å; V785-L789 VanDerWaalsContact O-CB 3.26Å; V785-L789 WeakPolarHBondContact O-CB 3.43Å; V785-L789 PolarHBondContact O-N 3.07Å; V785-L816 HydrophobicContact CG1-CB 4.19Å; V785-L816 HydrophobicContact CG1-CD2 3.95Å; V785-L816 WeakPolarHBondContact CG1-O 3.4Å; V785-L816 HydrophobicContact CG2-CD2 4.46Å; V785-E819 HydrophobicContact CG1-CB 3.85Å; V785-E819 HydrophobicContact CG2-CB 4.14Å; V785-K820 HydrophobicContact CG1-CB 4.09Å
786	S	94.3	Very high	89.3	Confident	25 Å²	25	63.1 Å²	63.1	18%	0.175	37%	0.365	C	S	.	.	H	α-helix	trans	-67.8	-33.6	174.9	-60	0	0	0	0	112.6	F782 R783 A784 T790	F782-S786 VanDerWaalsContact O-CB 3.29Å; F782-S786 WeakPolarHBondContact O-CB 3.27Å; F782-S786 PolarHBondContact O-N 3.21Å; F782-S786 PolarHBondContact O-OG 2.98Å; R783-S786 PolarHBondContact O-N 3.3Å; A784-S786 VanDerWaalsContact C-N 3.3Å; A784-S786 PolarHBondContact O-N 3.28Å; S786-T790 WeakPolarHBondContact O-CB 3.5Å; S786-T790 PolarHBondContact O-N 3.46Å; S786-T790 VanDerWaalsContact O-N 3.12Å; S786-T790 PolarHBondContact O-OG1 3.42Å
787	S	93.3	Very high	87.6	Confident	60 Å²	60	61.3 Å²	61.3	42%	0.42	36%	0.363	S	S	.	.	H	α-helix	trans	-65.8	-54.5	171.4	-160.5	0	0	0	0	111	R783 A784 L789 T790 E791	R783-S787 PolarHBondContact O-N 2.9Å; A784-S787 WeakPolarHBondContact O-CB 3.28Å; A784-S787 PolarHBondContact O-N 2.95Å; A784-S787 VanDerWaalsContact O-N 3.12Å; S787-L789 PolarHBondContact O-N 2.85Å; S787-L789 VanDerWaalsContact O-N 3.17Å; S787-T790 WeakPolarHBondContact O-CA 3.44Å; S787-T790 WeakPolarHBondContact O-CB 3.06Å; S787-T790 PolarHBondContact O-N 3.17Å; S787-E791 VanDerWaalsContact C-OE1 3.25Å; S787-E791 WeakPolarHBondContact CB-OE1 3.36Å; S787-E791 WeakPolarHBondContact O-CG 3.46Å; S787-E791 PolarHBondContact O-N 3.08Å; S787-E791 PolarHBondContact OG-OE1 3.17Å
788	E	90.8	Very high	85.7	Confident	58 Å²	58	65.1 Å²	65.1	27%	0.271	38%	0.38	S	S	.	.	H	α-helix	trans	-54.3	-39.7	178.4	-74.8	-168.4	-116.9	0	0	112.5	A784 L792 R812 L816	A784-E788 PolarHBondContact O-N 2.78Å; E788-L792 WeakPolarHBondContact O-CB 3.4Å; E788-L792 PolarHBondContact O-N 3.45Å; E788-R812 IonicContact OE2-CZ 2.75Å; E788-R812 IonicContact OE2-NE 3.23Å; E788-R812 IonicContact OE2-NH2 3.13Å; E788-R812 PolarHBondContact OE2-NH2 2.95Å; E788-L816 HydrophobicContact CB-CD1 3.83Å; E788-L816 HydrophobicContact CB-CD2 3.97Å
789	L	91.4	Very high	83.9	Confident	40 Å²	40	76.6 Å²	76.6	21%	0.209	42%	0.423	C	S	.	.	H	α-helix	trans	-68.6	-37	177.9	-174.7	151.1	0	0	0	112.1	V785 S787 A793 L816 E817	V785-L789 VanDerWaalsContact O-CB 3.26Å; V785-L789 WeakPolarHBondContact O-CB 3.43Å; V785-L789 PolarHBondContact O-N 3.07Å; S787-L789 PolarHBondContact O-N 2.85Å; S787-L789 VanDerWaalsContact O-N 3.17Å; L789-A793 WeakPolarHBondContact O-CB 3.43Å; L789-A793 PolarHBondContact O-N 2.87Å; L789-L816 HydrophobicContact CB-CB 4.26Å; L789-L816 HydrophobicContact CD1-CB 4.22Å; L789-E817 HydrophobicContact CD1-CB 4.35Å; L789-E817 HydrophobicContact CD1-CG 3.65Å
790	T	91.5	Very high	82	Confident	96 Å²	96	84.7 Å²	84.7	59%	0.589	45%	0.452	S	S	*	.	H	α-helix	trans	-70.3	-43.4	176.4	-57.2	0	0	0	0	111	S786 S787 L792 A793 G794	S786-T790 WeakPolarHBondContact O-CB 3.5Å; S786-T790 PolarHBondContact O-N 3.46Å; S786-T790 VanDerWaalsContact O-N 3.12Å; S786-T790 PolarHBondContact O-OG1 3.42Å; S787-T790 WeakPolarHBondContact O-CA 3.44Å; S787-T790 WeakPolarHBondContact O-CB 3.06Å; S787-T790 PolarHBondContact O-N 3.17Å; T790-L792 PolarHBondContact O-N 3.19Å; T790-A793 PolarHBondContact O-N 3.21Å; T790-A793 VanDerWaalsContact O-N 3.11Å; T790-G794 PolarHBondContact O-N 2.92Å
791	E	88.9	Confident	80.2	Confident	117 Å²	117	83 Å²	83	55%	0.547	44%	0.443	S	S	.	.	H	α-helix	trans	-59.5	-45.4	173.5	-68.2	158.5	-133.7	0	0	111.2	S787 A793 G794 A795	S787-E791 VanDerWaalsContact C-OE1 3.25Å; S787-E791 WeakPolarHBondContact CB-OE1 3.36Å; S787-E791 WeakPolarHBondContact O-CG 3.46Å; S787-E791 PolarHBondContact O-N 3.08Å; S787-E791 PolarHBondContact OG-OE1 3.17Å; E791-A793 PolarHBondContact O-N 3.03Å; E791-G794 PolarHBondContact O-N 3.4Å; E791-A795 WeakPolarHBondContact O-CB 3.34Å; E791-A795 PolarHBondContact O-N 2.98Å
792	L	86	Confident	78.7	Confident	21 Å²	21	86.1 Å²	86.1	11%	0.11	46%	0.46	C	S	.	.	H	α-helix	trans	-74.7	-5	176.8	-172.4	138.9	0	0	0	113.9	E788 T790 R812 R813	E788-L792 WeakPolarHBondContact O-CB 3.4Å; E788-L792 PolarHBondContact O-N 3.45Å; T790-L792 PolarHBondContact O-N 3.19Å; L792-R812 HydrophobicContact CD1-CB 4.1Å; L792-R812 HydrophobicContact CD1-CG 3.83Å; L792-R813 HydrophobicContact CD2-CB 3.66Å; L792-R813 HydrophobicContact CD2-CG 3.96Å; L792-R813 PolarHBondContact O-NH2 3.02Å
793	A	84.5	Confident	77.6	Confident	73 Å²	73	86.8 Å²	86.8	60%	0.603	48%	0.477	S	S	*	.	H	α-helix	trans	-97	-33.2	166.5	0	0	0	0	0	112.4	L789 T790 E791	L789-A793 WeakPolarHBondContact O-CB 3.43Å; L789-A793 PolarHBondContact O-N 2.87Å; T790-A793 PolarHBondContact O-N 3.21Å; T790-A793 VanDerWaalsContact O-N 3.11Å; E791-A793 PolarHBondContact O-N 3.03Å
794	G	77.2	Confident	76.4	Confident	59 Å²	59	90.5 Å²	90.5	61%	0.608	49%	0.49	S	S	*	.	H	α-helix	trans	-76.1	-26.1	175	0	0	0	0	0	114	T790 E791 T796	T790-G794 PolarHBondContact O-N 2.92Å; E791-G794 PolarHBondContact O-N 3.4Å; G794-T796 PolarHBondContact O-N 2.98Å
795	A	75.8	Confident	75.6	Confident	62 Å²	62	93 Å²	93	51%	0.512	50%	0.495	S	S	.	.	S	Bend	trans	-65.4	99.5	172.2	0	0	0	0	0	110.9	E791	E791-A795 WeakPolarHBondContact O-CB 3.34Å; E791-A795 PolarHBondContact O-N 2.98Å
796	T	59.3	Low	75	Confident	128 Å²	128	96.5 Å²	96.5	79%	0.785	51%	0.512	S	S	*	.	P	Polyproline II helix	trans	-65.5	125.1	173.5	45.7	0	0	0	0	109.8	G794 D798	G794-T796 PolarHBondContact O-N 2.98Å; T796-D798 PolarHBondContact O-N 3.17Å; T796-D798 VanDerWaalsContact O-N 3.17Å
797	P	58.5	Low	74.2	Confident	80 Å²	80	101.7 Å²	101.7	52%	0.519	53%	0.534	S	S	.	.	P	Polyproline II helix	trans	-67.5	118.2	174.4	27.1	-32.5	0	0	0	108.6	V801 L806	P797-V801 HydrophobicContact CB-CG2 4.49Å; P797-L806 HydrophobicContact CB-CD2 4.13Å
798	D	54.8	Low	73.7	Confident	106 Å²	106	101.7 Å²	101.7	57%	0.567	53%	0.528	S	S	*	.	P	Polyproline II helix	trans	-57.7	147.1	175.5	-174.7	15.1	0	0	0	109.8	T796 R800 V801	T796-D798 PolarHBondContact O-N 3.17Å; T796-D798 VanDerWaalsContact O-N 3.17Å; D798-R800 PolarHBondContact O-N 2.73Å; D798-V801 HydrophobicContact CB-CG2 4.15Å; D798-V801 WeakPolarHBondContact O-CG2 3.41Å; D798-V801 PolarHBondContact O-N 3.12Å; D798-V801 VanDerWaalsContact O-N 3.08Å
799	R	56.8	Low	73.3	Confident	251 Å²	251	101.4 Å²	101.4	95%	0.947	53%	0.526	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.6	11.9	-178.1	-81.4	-176.7	164.4	-172.6	-4.8	113.9
800	R	55.1	Low	73	Confident	215 Å²	215	103.3 Å²	103.3	81%	0.811	53%	0.533	S	S	*	.	T	Hydrogen-bonded Turn	trans	-129.5	2.1	-178.5	-57.6	-176.9	180	-156.3	-0.9	113.5	D798 K802	D798-R800 PolarHBondContact O-N 2.73Å; R800-K802 PolarHBondContact O-N 2.93Å
801	V	58.2	Low	72.7	Confident	32 Å²	32	102.1 Å²	102.1	19%	0.194	52%	0.522	C	S	.	.			trans	-60.4	128.6	177.9	177.3	0	0	0	0	109.8	P797 D798 E805 L806	P797-V801 HydrophobicContact CB-CG2 4.49Å; D798-V801 HydrophobicContact CB-CG2 4.15Å; D798-V801 WeakPolarHBondContact O-CG2 3.41Å; D798-V801 PolarHBondContact O-N 3.12Å; D798-V801 VanDerWaalsContact O-N 3.08Å; V801-E805 HydrophobicContact CG1-CB 3.7Å; V801-E805 HydrophobicContact CG1-CG 3.74Å; V801-L806 HydrophobicContact CB-CD2 4.1Å; V801-L806 HydrophobicContact CB-CG 4.38Å; V801-L806 HydrophobicContact CG1-CD2 3.63Å; V801-L806 HydrophobicContact CG1-CG 3.75Å
802	K	60.8	Low	72.6	Confident	164 Å²	164	101 Å²	101	71%	0.713	51%	0.513	S	S	*	.			trans	-76	147.4	-176.7	-64.3	176.3	-178.8	177	0	110.1	R800 R804 E805 L806	R800-K802 PolarHBondContact O-N 2.93Å; K802-R804 VanDerWaalsContact C-N 3.28Å; K802-R804 PolarHBondContact O-N 3.49Å; K802-E805 WeakPolarHBondContact O-CB 3.36Å; K802-E805 PolarHBondContact O-N 2.99Å; K802-L806 PolarHBondContact O-N 2.94Å
803	G	71.9	Confident	72.8	Confident	49 Å²	49	103.8 Å²	103.8	51%	0.505	52%	0.522	S	S	.	.	H	α-helix	trans	-48.6	-42.8	-174	0	0	0	0	0	115.1	E805 L806 E807	G803-E805 VanDerWaalsContact C-N 3.26Å; G803-E805 PolarHBondContact O-N 2.85Å; G803-L806 WeakPolarHBondContact O-CB 3.16Å; G803-L806 PolarHBondContact O-N 2.99Å; G803-L806 VanDerWaalsContact O-N 3.16Å; G803-E807 WeakPolarHBondContact O-CG 3.44Å; G803-E807 PolarHBondContact O-N 3.25Å
804	R	71.3	Confident	73	Confident	213 Å²	213	102.7 Å²	102.7	80%	0.804	51%	0.505	S	S	*	.	H	α-helix	trans	-60.4	-30.2	177.1	-66.1	-176.3	-179.7	175.8	1.3	114.3	K802 E808	K802-R804 VanDerWaalsContact C-N 3.28Å; K802-R804 PolarHBondContact O-N 3.49Å; R804-E808 WeakPolarHBondContact O-CB 3.44Å; R804-E808 PolarHBondContact O-N 3.3Å
805	E	75.8	Confident	73.7	Confident	98 Å²	98	100.8 Å²	100.8	46%	0.458	48%	0.479	S	S	.	.	H	α-helix	trans	-80.4	-32.9	178.7	-173.7	-179.1	172	0	0	111	V801 K802 G803 E808 Q809	V801-E805 HydrophobicContact CG1-CB 3.7Å; V801-E805 HydrophobicContact CG1-CG 3.74Å; K802-E805 WeakPolarHBondContact O-CB 3.36Å; K802-E805 PolarHBondContact O-N 2.99Å; G803-E805 VanDerWaalsContact C-N 3.26Å; G803-E805 PolarHBondContact O-N 2.85Å; E805-E808 PolarHBondContact O-N 3.06Å; E805-Q809 WeakPolarHBondContact O-CB 3.26Å; E805-Q809 VanDerWaalsContact O-CG 3.3Å; E805-Q809 WeakPolarHBondContact O-CG 3.26Å; E805-Q809 PolarHBondContact O-N 3.5Å
806	L	78.3	Confident	74.5	Confident	79 Å²	79	97.9 Å²	97.9	41%	0.414	46%	0.455	S	S	.	.	H	α-helix	trans	-65.8	-39.6	168.4	-63	175.9	0	0	0	111.7	P797 V801 K802 G803 E808 K810	P797-L806 HydrophobicContact CB-CD2 4.13Å; V801-L806 HydrophobicContact CB-CD2 4.1Å; V801-L806 HydrophobicContact CB-CG 4.38Å; V801-L806 HydrophobicContact CG1-CD2 3.63Å; V801-L806 HydrophobicContact CG1-CG 3.75Å; K802-L806 PolarHBondContact O-N 2.94Å; G803-L806 WeakPolarHBondContact O-CB 3.16Å; G803-L806 PolarHBondContact O-N 2.99Å; G803-L806 VanDerWaalsContact O-N 3.16Å; L806-E808 VanDerWaalsContact C-N 3.35Å; L806-K810 VanDerWaalsContact O-CB 3.24Å; L806-K810 WeakPolarHBondContact O-CB 3.42Å; L806-K810 PolarHBondContact O-N 3.16Å
807	E	78.6	Confident	76.1	Confident	135 Å²	135	94.7 Å²	94.7	63%	0.631	43%	0.431	S	S	*	.	H	α-helix	trans	-61.5	-42.3	172.6	-70.5	175.9	150.4	0	0	111.7	G803 K810 L811	G803-E807 WeakPolarHBondContact O-CG 3.44Å; G803-E807 PolarHBondContact O-N 3.25Å; E807-K810 PolarHBondContact O-N 2.99Å; E807-L811 WeakPolarHBondContact O-CB 3.36Å; E807-L811 PolarHBondContact O-N 3.4Å
808	E	81.6	Confident	77.8	Confident	60 Å²	60	91.7 Å²	91.7	28%	0.28	41%	0.41	S	S	.	.	H	α-helix	trans	-67.2	-45.9	177.6	-167.9	175.8	129.7	0	0	112.4	R756 F757 R804 E805 L806 K810 L811 R812	R756-E808 VanDerWaalsContact CA-OE1 3.23Å; R756-E808 WeakPolarHBondContact CA-OE1 3.46Å; R756-E808 WeakPolarHBondContact CB-OE2 3.16Å; R756-E808 WeakPolarHBondContact CD-OE2 3.33Å; R756-E808 WeakPolarHBondContact CG-OE2 3.33Å; F757-E808 HydrophobicContact CB-CG 3.81Å; F757-E808 PolarHBondContact N-OE1 2.82Å; R804-E808 WeakPolarHBondContact O-CB 3.44Å; R804-E808 PolarHBondContact O-N 3.3Å; E805-E808 PolarHBondContact O-N 3.06Å; L806-E808 VanDerWaalsContact C-N 3.35Å; E808-K810 VanDerWaalsContact C-N 3.29Å; E808-K810 PolarHBondContact O-N 3.41Å; E808-L811 PolarHBondContact O-N 2.74Å; E808-R812 PolarHBondContact O-N 3.5Å
809	Q	83.8	Confident	79.6	Confident	52 Å²	52	86.7 Å²	86.7	24%	0.243	38%	0.383	C	S	.	.	H	α-helix	trans	-59.4	-39.5	173.5	-73.4	177.1	13.4	0	0	111.9	E805 R813	E805-Q809 WeakPolarHBondContact O-CB 3.26Å; E805-Q809 VanDerWaalsContact O-CG 3.3Å; E805-Q809 WeakPolarHBondContact O-CG 3.26Å; E805-Q809 PolarHBondContact O-N 3.5Å; Q809-R813 WeakPolarHBondContact O-CB 3.38Å; Q809-R813 PolarHBondContact O-N 3.02Å
810	K	85.6	Confident	81.4	Confident	80 Å²	80	76.9 Å²	76.9	35%	0.348	35%	0.348	S	S	.	.	H	α-helix	trans	-65.1	-45.1	175.2	178.5	176.5	177	-66.5	0	111.7	L806 E807 E808 R812 R813 E814	L806-K810 VanDerWaalsContact O-CB 3.24Å; L806-K810 WeakPolarHBondContact O-CB 3.42Å; L806-K810 PolarHBondContact O-N 3.16Å; E807-K810 PolarHBondContact O-N 2.99Å; E808-K810 VanDerWaalsContact C-N 3.29Å; E808-K810 PolarHBondContact O-N 3.41Å; K810-R812 PolarHBondContact O-N 2.98Å; K810-R813 PolarHBondContact O-N 3.12Å; K810-E814 IonicContact NZ-OE1 2.8Å; K810-E814 PolarHBondContact NZ-OE1 3.31Å; K810-E814 PolarHBondContact O-N 3.39Å
811	L	84.2	Confident	83.3	Confident	71 Å²	71	69.7 Å²	69.7	37%	0.372	33%	0.328	S	S	.	.	H	α-helix	trans	-64.8	-38	177.1	-175.4	64.6	0	0	0	112.1	F757 E807 E808 Y815	F757-L811 HydrophobicContact CD1-CD2 4.39Å; F757-L811 HydrophobicContact CD1-CG 4.31Å; F757-L811 HydrophobicContact CE1-CD2 4.44Å; F757-L811 HydrophobicContact CE1-CG 4.09Å; E807-L811 WeakPolarHBondContact O-CB 3.36Å; E807-L811 PolarHBondContact O-N 3.4Å; E808-L811 PolarHBondContact O-N 2.74Å; L811-Y815 PolarHBondContact O-N 2.95Å; L811-Y815 VanDerWaalsContact O-N 3.12Å
812	R	87.6	Confident	85.1	Confident	92 Å²	92	68.2 Å²	68.2	35%	0.347	32%	0.319	S	S	.	.	H	α-helix	trans	-65.7	-40.9	172.7	-173.2	171.5	178.1	-173.3	-1.6	111.4	F757 E788 L792 E808 K810 Y815 L816	F757-R812 HydrophobicContact CB-CB 4.44Å; F757-R812 HydrophobicContact CD1-CB 3.96Å; F757-R812 HydrophobicContact CD2-CB 3.97Å; F757-R812 HydrophobicContact CD2-CG 3.7Å; F757-R812 HydrophobicContact CE1-CB 4.23Å; F757-R812 HydrophobicContact CE2-CB 4.23Å; F757-R812 HydrophobicContact CE2-CG 3.86Å; F757-R812 HydrophobicContact CG-CB 3.83Å; F757-R812 HydrophobicContact CG-CG 4.1Å; F757-R812 HydrophobicContact CZ-CB 4.37Å; F757-R812 HydrophobicContact CZ-CG 4.38Å; E788-R812 IonicContact OE2-CZ 2.75Å; E788-R812 IonicContact OE2-NE 3.23Å; E788-R812 IonicContact OE2-NH2 3.13Å; E788-R812 PolarHBondContact OE2-NH2 2.95Å; L792-R812 HydrophobicContact CD1-CB 4.1Å; L792-R812 HydrophobicContact CD1-CG 3.83Å; E808-R812 PolarHBondContact O-N 3.5Å; K810-R812 PolarHBondContact O-N 2.98Å; R812-Y815 PolarHBondContact O-N 2.62Å; R812-L816 HydrophobicContact CG-CD1 3.92Å; R812-L816 HydrophobicContact CG-CG 4.33Å; R812-L816 WeakPolarHBondContact O-CG 3.37Å; R812-L816 PolarHBondContact O-N 3.29Å
813	R	89.2	Confident	86.9	Confident	81 Å²	81	60.7 Å²	60.7	31%	0.306	29%	0.286	S	S	.	.	H	α-helix	trans	-61.1	-51.4	174.9	-165.8	173.9	-69.9	111.7	1.6	112	L792 Q809 K810 Y815 L816 E817	L792-R813 HydrophobicContact CD2-CB 3.66Å; L792-R813 HydrophobicContact CD2-CG 3.96Å; L792-R813 PolarHBondContact O-NH2 3.02Å; Q809-R813 WeakPolarHBondContact O-CB 3.38Å; Q809-R813 PolarHBondContact O-N 3.02Å; K810-R813 PolarHBondContact O-N 3.12Å; R813-Y815 PolarHBondContact O-N 3.36Å; R813-L816 PolarHBondContact O-N 3.5Å; R813-L816 VanDerWaalsContact O-N 3.16Å; R813-E817 HydrophobicContact CG-CG 4.27Å; R813-E817 WeakPolarHBondContact O-CB 3.38Å; R813-E817 WeakPolarHBondContact O-CG 3.29Å; R813-E817 PolarHBondContact O-N 2.69Å
814	E	89.3	Confident	88	Confident	50 Å²	50	59.2 Å²	59.2	23%	0.234	27%	0.271	C	S	.	.	H	α-helix	trans	-61.6	-25.3	178	-74.5	-178.5	-136.3	0	0	113.5	R230 K810	R230-E814 IonicContact NH1-OE2 3.61Å; K810-E814 IonicContact NZ-OE1 2.8Å; K810-E814 PolarHBondContact NZ-OE1 3.31Å; K810-E814 PolarHBondContact O-N 3.39Å
815	Y	91.1	Very high	89.1	Confident	19 Å²	19	50.5 Å²	50.5	8%	0.075	24%	0.241	C	C	.	.	H	α-helix	trans	-74.6	-56	169.6	173.1	-116.8	0	0	0	111.6	W715 F757 P760 L811 R812 R813 E817 F818 E819	W715-Y815 AromaticContact CZ2-CD2 3.63Å; W715-Y815 HydrophobicContact CZ2-CD2 3.63Å; W715-Y815 HydrophobicContact CZ2-CG 4.22Å; F757-Y815 AromaticContact CE2-CD1 3.76Å; F757-Y815 HydrophobicContact CE2-CD1 3.76Å; F757-Y815 HydrophobicContact CE2-CE1 4.29Å; F757-Y815 HydrophobicContact CE2-CG 4.49Å; F757-Y815 AromaticContact CZ-CD1 3.48Å; F757-Y815 HydrophobicContact CZ-CD1 3.48Å; F757-Y815 VanDerWaalsContact CZ-CD1 3.48Å; F757-Y815 HydrophobicContact CZ-CE1 4.28Å; F757-Y815 AromaticContact CZ-CG 3.78Å; F757-Y815 HydrophobicContact CZ-CG 3.78Å; P760-Y815 VanDerWaalsContact CD-OH 3.29Å; P760-Y815 WeakPolarHBondContact CD-OH 3.33Å; P760-Y815 HydrophobicContact CG-CE1 4.24Å; P760-Y815 WeakPolarHBondContact CG-OH 3.35Å; L811-Y815 PolarHBondContact O-N 2.95Å; L811-Y815 VanDerWaalsContact O-N 3.12Å; R812-Y815 PolarHBondContact O-N 2.62Å; R813-Y815 PolarHBondContact O-N 3.36Å; Y815-E817 VanDerWaalsContact C-N 3.29Å; Y815-E817 PolarHBondContact O-N 2.66Å; Y815-F818 PolarHBondContact O-N 2.8Å; Y815-F818 VanDerWaalsContact O-N 3.09Å; Y815-E819 HydrophobicContact CD1-CG 4.23Å; Y815-E819 HydrophobicContact CD2-CG 3.58Å; Y815-E819 HydrophobicContact CE1-CG 3.87Å; Y815-E819 HydrophobicContact CE2-CG 3.22Å; Y815-E819 VanDerWaalsContact CE2-OE1 3.31Å; Y815-E819 WeakPolarHBondContact CE2-OE1 3.4Å; Y815-E819 HydrophobicContact CG-CG 4.12Å; Y815-E819 VanDerWaalsContact CZ-CD 3.47Å; Y815-E819 WeakPolarHBondContact O-CG 3.29Å; Y815-E819 PolarHBondContact O-N 3.11Å; Y815-E819 PolarHBondContact OH-OE2 3.29Å
816	L	92.4	Very high	90.1	Very high	1 Å²	1	45.9 Å²	45.9	1%	0.005	22%	0.22	C	C	.	.	H	α-helix	trans	-60.5	-36.8	-177.3	-67.4	170.7	0	0	0	112.3	V785 E788 L789 R812 R813 E819 K820	V785-L816 HydrophobicContact CG1-CB 4.19Å; V785-L816 HydrophobicContact CG1-CD2 3.95Å; V785-L816 WeakPolarHBondContact CG1-O 3.4Å; V785-L816 HydrophobicContact CG2-CD2 4.46Å; E788-L816 HydrophobicContact CB-CD1 3.83Å; E788-L816 HydrophobicContact CB-CD2 3.97Å; L789-L816 HydrophobicContact CB-CB 4.26Å; L789-L816 HydrophobicContact CD1-CB 4.22Å; R812-L816 HydrophobicContact CG-CD1 3.92Å; R812-L816 HydrophobicContact CG-CG 4.33Å; R812-L816 WeakPolarHBondContact O-CG 3.37Å; R812-L816 PolarHBondContact O-N 3.29Å; R813-L816 PolarHBondContact O-N 3.5Å; R813-L816 VanDerWaalsContact O-N 3.16Å; L816-E819 PolarHBondContact O-N 3.44Å; L816-K820 WeakPolarHBondContact O-CB 3.39Å; L816-K820 PolarHBondContact O-N 3.03Å
817	E	92.7	Very high	91	Very high	61 Å²	61	42.3 Å²	42.3	29%	0.285	20%	0.202	S	C	.	.	H	α-helix	trans	-59.3	-48.1	173.4	-75.3	171.7	167.2	0	0	111.4	L789 R813 Y815 K820 T821	L789-E817 HydrophobicContact CD1-CB 4.35Å; L789-E817 HydrophobicContact CD1-CG 3.65Å; R813-E817 HydrophobicContact CG-CG 4.27Å; R813-E817 WeakPolarHBondContact O-CB 3.38Å; R813-E817 WeakPolarHBondContact O-CG 3.29Å; R813-E817 PolarHBondContact O-N 2.69Å; Y815-E817 VanDerWaalsContact C-N 3.29Å; Y815-E817 PolarHBondContact O-N 2.66Å; E817-K820 PolarHBondContact O-N 3.49Å; E817-T821 PolarHBondContact O-N 2.98Å; E817-T821 PolarHBondContact O-OG1 3.31Å
818	F	93.9	Very high	91.7	Very high	16 Å²	16	40.1 Å²	40.1	7%	0.07	19%	0.192	C	C	.	.	H	α-helix	trans	-67.1	-40.3	177.4	173	-100.8	0	0	0	113.1	L694 R711 Y815 T821 R822	L694-F818 HydrophobicContact CB-CE2 3.84Å; L694-F818 HydrophobicContact CB-CZ 3.83Å; L694-F818 HydrophobicContact CD2-CD2 4.16Å; L694-F818 HydrophobicContact CD2-CE2 3.71Å; L694-F818 HydrophobicContact CD2-CZ 4.34Å; L694-F818 HydrophobicContact CG-CE2 4.37Å; R711-F818 HydrophobicContact CB-CE2 4.16Å; R711-F818 HydrophobicContact CB-CZ 4.21Å; R711-F818 VanDerWaalsContact CD-CE2 3.46Å; R711-F818 HydrophobicContact CG-CE2 3.96Å; R711-F818 HydrophobicContact CG-CZ 3.78Å; R711-F818 VanDerWaalsContact NH1-CD2 3.28Å; Y815-F818 PolarHBondContact O-N 2.8Å; Y815-F818 VanDerWaalsContact O-N 3.09Å; F818-T821 PolarHBondContact O-N 3.4Å; F818-R822 PolarHBondContact O-N 3.48Å
819	E	94	Very high	92.2	Very high	2 Å²	2	37.8 Å²	37.8	1%	0.009	18%	0.182	C	C	.	.	H	α-helix	trans	-66	-37.9	177.4	-65.8	-73.5	115.2	0	0	111.3	V785 Y815 L816 T821 R822 Y823	V785-E819 HydrophobicContact CG1-CB 3.85Å; V785-E819 HydrophobicContact CG2-CB 4.14Å; Y815-E819 HydrophobicContact CD1-CG 4.23Å; Y815-E819 HydrophobicContact CD2-CG 3.58Å; Y815-E819 HydrophobicContact CE1-CG 3.87Å; Y815-E819 HydrophobicContact CE2-CG 3.22Å; Y815-E819 VanDerWaalsContact CE2-OE1 3.31Å; Y815-E819 WeakPolarHBondContact CE2-OE1 3.4Å; Y815-E819 HydrophobicContact CG-CG 4.12Å; Y815-E819 VanDerWaalsContact CZ-CD 3.47Å; Y815-E819 WeakPolarHBondContact O-CG 3.29Å; Y815-E819 PolarHBondContact O-N 3.11Å; Y815-E819 PolarHBondContact OH-OE2 3.29Å; L816-E819 PolarHBondContact O-N 3.44Å; E819-T821 VanDerWaalsContact C-N 3.35Å; E819-T821 PolarHBondContact O-N 3.24Å; E819-R822 PolarHBondContact O-N 3.05Å; E819-R822 IonicContact OE1-CZ 2.66Å; E819-R822 VanDerWaalsContact OE1-CZ 3.24Å; E819-R822 IonicContact OE1-NH1 2.69Å; E819-R822 PolarHBondContact OE1-NH1 2.82Å; E819-R822 IonicContact OE1-NH2 3.51Å; E819-R822 PolarHBondContact OE1-NH2 3.17Å; E819-R822 VanDerWaalsContact OE1-NH2 3.14Å; E819-R822 IonicContact OE2-CZ 3.26Å; E819-R822 IonicContact OE2-NH1 3.7Å; E819-R822 IonicContact OE2-NH2 3.5Å; E819-R822 PolarHBondContact OE2-NH2 3.41Å; E819-Y823 HydrophobicContact CB-CD2 4.32Å; E819-Y823 HydrophobicContact CB-CE2 4.37Å; E819-Y823 VanDerWaalsContact O-CD2 3.24Å; E819-Y823 WeakPolarHBondContact O-CD2 3.42Å; E819-Y823 PolarHBondContact O-N 3.47Å; E819-Y823 VanDerWaalsContact OE2-CE2 3.23Å; E819-Y823 WeakPolarHBondContact OE2-CE2 3.18Å
820	K	94.4	Very high	92.6	Very high	45 Å²	45	35.4 Å²	35.4	20%	0.196	17%	0.171	C	C	.	.	H	α-helix	trans	-58	-49.4	172.3	-175.8	-174.9	175.6	-167.1	0	109.6	D245 F782 V785 L816 E817 G824	D245-K820 IonicContact OD1-NZ 2.72Å; D245-K820 PolarHBondContact OD1-NZ 3.07Å; D245-K820 IonicContact OD2-NZ 3.19Å; D245-K820 PolarHBondContact OD2-NZ 3.09Å; F782-K820 HydrophobicContact CD2-CG 3.96Å; F782-K820 WeakPolarHBondContact CD2-O 3.39Å; F782-K820 HydrophobicContact CE2-CD 4.27Å; F782-K820 HydrophobicContact CE2-CG 3.54Å; F782-K820 HydrophobicContact CZ-CG 4.37Å; V785-K820 HydrophobicContact CG1-CB 4.09Å; L816-K820 WeakPolarHBondContact O-CB 3.39Å; L816-K820 PolarHBondContact O-N 3.03Å; E817-K820 PolarHBondContact O-N 3.49Å; K820-G824 PolarHBondContact O-N 3.44Å
821	T	95.4	Very high	92.8	Very high	64 Å²	64	34.9 Å²	34.9	39%	0.393	17%	0.167	S	C	.	.	H	α-helix	trans	-60.3	-48.6	177.3	-48.4	0	0	0	0	111.4	L694 M696 E817 F818 E819 G824 T825	L694-T821 HydrophobicContact CD2-CG2 3.97Å; M696-T821 HydrophobicContact SD-CG2 3.94Å; E817-T821 PolarHBondContact O-N 2.98Å; E817-T821 PolarHBondContact O-OG1 3.31Å; F818-T821 PolarHBondContact O-N 3.4Å; E819-T821 VanDerWaalsContact C-N 3.35Å; E819-T821 PolarHBondContact O-N 3.24Å; T821-G824 PolarHBondContact O-N 3.45Å; T821-T825 WeakPolarHBondContact O-CB 3.03Å; T821-T825 PolarHBondContact O-N 3.13Å; T821-T825 PolarHBondContact O-OG1 3.23Å
822	R	96.2	Very high	93	Very high	1 Å²	1	33.2 Å²	33.2	0%	0.004	16%	0.163	C	C	.	.	H	α-helix	trans	-61.2	-52.6	-177.7	-168.5	-178.3	73.7	-126.3	-16.4	112.3	H692 L694 F818 E819 G824 T825 Y826	H692-R822 WeakPolarHBondContact O-CD 3.24Å; H692-R822 PolarHBondContact O-NH1 3.08Å; L694-R822 HydrophobicContact CB-CB 4.49Å; L694-R822 HydrophobicContact CB-CG 4.2Å; L694-R822 HydrophobicContact CD1-CB 4.47Å; L694-R822 HydrophobicContact CD1-CG 4.27Å; L694-R822 HydrophobicContact CD2-CB 4.1Å; F818-R822 PolarHBondContact O-N 3.48Å; E819-R822 PolarHBondContact O-N 3.05Å; E819-R822 IonicContact OE1-CZ 2.66Å; E819-R822 VanDerWaalsContact OE1-CZ 3.24Å; E819-R822 IonicContact OE1-NH1 2.69Å; E819-R822 PolarHBondContact OE1-NH1 2.82Å; E819-R822 IonicContact OE1-NH2 3.51Å; E819-R822 PolarHBondContact OE1-NH2 3.17Å; E819-R822 VanDerWaalsContact OE1-NH2 3.14Å; E819-R822 IonicContact OE2-CZ 3.26Å; E819-R822 IonicContact OE2-NH1 3.7Å; E819-R822 IonicContact OE2-NH2 3.5Å; E819-R822 PolarHBondContact OE2-NH2 3.41Å; R822-G824 VanDerWaalsContact C-N 3.32Å; R822-G824 PolarHBondContact O-N 3.45Å; R822-T825 PolarHBondContact O-N 3.5Å; R822-Y826 WeakPolarHBondContact CD-OH 3.22Å; R822-Y826 HydrophobicContact CG-CD1 4.06Å; R822-Y826 HydrophobicContact CG-CD2 4.26Å; R822-Y826 HydrophobicContact CG-CE1 3.64Å; R822-Y826 HydrophobicContact CG-CE2 3.88Å; R822-Y826 HydrophobicContact CG-CG 4.37Å; R822-Y826 WeakPolarHBondContact O-CB 3.33Å; R822-Y826 WeakPolarHBondContact O-CD1 3.34Å; R822-Y826 VanDerWaalsContact O-CG 3.3Å; R822-Y826 PolarHBondContact O-N 3.35Å
823	Y	97	Very high	92.9	Very high	5 Å²	5	29.5 Å²	29.5	2%	0.02	15%	0.149	C	C	.	.	H	α-helix	trans	-68.2	-32.2	-178.4	-71.4	-62.7	0	0	0	112.5	H778 R781 E819 Y826 A827	H778-Y823 HydrophobicContact CB-CD1 4.2Å; H778-Y823 AromaticContact ND1-CD1 3.38Å; H778-Y823 WeakPolarHBondContact ND1-CD1 3.34Å; H778-Y823 AromaticContact ND1-CE1 3.52Å; R781-Y823 HydrophobicContact CB-CD1 3.75Å; R781-Y823 HydrophobicContact CB-CD2 3.77Å; R781-Y823 HydrophobicContact CB-CE1 3.81Å; R781-Y823 HydrophobicContact CB-CE2 3.83Å; R781-Y823 HydrophobicContact CB-CG 3.74Å; R781-Y823 HydrophobicContact CG-CD1 4.47Å; R781-Y823 HydrophobicContact CG-CE1 4.05Å; R781-Y823 HydrophobicContact CG-CE2 4.26Å; E819-Y823 HydrophobicContact CB-CD2 4.32Å; E819-Y823 HydrophobicContact CB-CE2 4.37Å; E819-Y823 VanDerWaalsContact O-CD2 3.24Å; E819-Y823 WeakPolarHBondContact O-CD2 3.42Å; E819-Y823 PolarHBondContact O-N 3.47Å; E819-Y823 VanDerWaalsContact OE2-CE2 3.23Å; E819-Y823 WeakPolarHBondContact OE2-CE2 3.18Å; Y823-Y826 PolarHBondContact O-N 3.33Å; Y823-A827 WeakPolarHBondContact O-CB 3.44Å; Y823-A827 PolarHBondContact O-N 3.24Å
824	G	95.4	Very high	92.7	Very high	19 Å²	19	28.3 Å²	28.3	20%	0.196	15%	0.148	C	C	.	.	H	α-helix	trans	-62.4	-49.7	171.4	0	0	0	0	0	112.1	K820 T821 R822 Y826 M828	K820-G824 PolarHBondContact O-N 3.44Å; T821-G824 PolarHBondContact O-N 3.45Å; R822-G824 VanDerWaalsContact C-N 3.32Å; R822-G824 PolarHBondContact O-N 3.45Å; G824-Y826 PolarHBondContact O-N 3.33Å; G824-M828 VanDerWaalsContact O-CB 3.26Å; G824-M828 WeakPolarHBondContact O-CB 3.41Å; G824-M828 PolarHBondContact O-N 3.26Å
825	T	95.4	Very high	92.4	Very high	30 Å²	30	30.3 Å²	30.3	18%	0.184	17%	0.173	C	C	.	.	H	α-helix	trans	-60.4	-42.6	175.1	-58.6	0	0	0	0	112.1	L694 N736 T821 R822 L829	L694-T825 HydrophobicContact CD1-CG2 4.17Å; N736-T825 HydrophobicContact CB-CG2 4.23Å; T821-T825 WeakPolarHBondContact O-CB 3.03Å; T821-T825 PolarHBondContact O-N 3.13Å; T821-T825 PolarHBondContact O-OG1 3.23Å; R822-T825 PolarHBondContact O-N 3.5Å; T825-L829 HydrophobicContact CG2-CD1 3.87Å; T825-L829 HydrophobicContact CG2-CG 4.43Å; T825-L829 WeakPolarHBondContact O-CB 3.33Å; T825-L829 WeakPolarHBondContact O-CG 3.42Å; T825-L829 PolarHBondContact O-N 3.04Å
826	Y	96.7	Very high	91.5	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-64.4	-48.9	179.5	-75.3	8.3	0	0	0	112.2	H692 A693 A739 A740 H778 R822 Y823 G824 M828 L829 L830	H692-Y826 VanDerWaalsContact CA-OH 3.31Å; H692-Y826 WeakPolarHBondContact CA-OH 3.24Å; A693-Y826 PolarHBondContact N-OH 2.86Å; A693-Y826 PolarHBondContact O-OH 3.09Å; A739-Y826 HydrophobicContact CB-CE1 4.17Å; A739-Y826 VanDerWaalsContact CB-OH 3.23Å; A739-Y826 WeakPolarHBondContact CB-OH 3.24Å; A740-Y826 HydrophobicContact CB-CD1 3.73Å; A740-Y826 HydrophobicContact CB-CD2 4.06Å; A740-Y826 HydrophobicContact CB-CE1 4.36Å; A740-Y826 HydrophobicContact CB-CG 3.55Å; H778-Y826 AromaticContact CE1-CD2 3.6Å; H778-Y826 AromaticContact ND1-CD2 3.74Å; R822-Y826 WeakPolarHBondContact CD-OH 3.22Å; R822-Y826 HydrophobicContact CG-CD1 4.06Å; R822-Y826 HydrophobicContact CG-CD2 4.26Å; R822-Y826 HydrophobicContact CG-CE1 3.64Å; R822-Y826 HydrophobicContact CG-CE2 3.88Å; R822-Y826 HydrophobicContact CG-CG 4.37Å; R822-Y826 WeakPolarHBondContact O-CB 3.33Å; R822-Y826 WeakPolarHBondContact O-CD1 3.34Å; R822-Y826 VanDerWaalsContact O-CG 3.3Å; R822-Y826 PolarHBondContact O-N 3.35Å; Y823-Y826 PolarHBondContact O-N 3.33Å; G824-Y826 PolarHBondContact O-N 3.33Å; Y826-M828 VanDerWaalsContact C-N 3.34Å; Y826-M828 PolarHBondContact O-N 2.7Å; Y826-L829 PolarHBondContact O-N 3.25Å; Y826-L830 WeakPolarHBondContact O-CG 3.16Å; Y826-L830 PolarHBondContact O-N 2.97Å
827	A	95.4	Very high	90.1	Very high	5 Å²	5	35.2 Å²	35.2	4%	0.041	22%	0.218	C	C	.	.	H	α-helix	trans	-65	-37.9	178.7	0	0	0	0	0	112.1	L775 H778 E779 Y823 R831	L775-A827 HydrophobicContact CD1-CB 3.95Å; L775-A827 VanDerWaalsContact CD1-O 3.28Å; L775-A827 WeakPolarHBondContact CD1-O 3.35Å; H778-A827 HydrophobicContact CB-CB 4.21Å; E779-A827 HydrophobicContact CG-CB 3.87Å; Y823-A827 WeakPolarHBondContact O-CB 3.44Å; Y823-A827 PolarHBondContact O-N 3.24Å; A827-R831 VanDerWaalsContact O-CB 3.29Å; A827-R831 WeakPolarHBondContact O-CB 3.36Å; A827-R831 PolarHBondContact O-N 3.38Å
828	M	94.1	Very high	88.4	Confident	88 Å²	88	33.5 Å²	33.5	43%	0.433	22%	0.217	S	C	.	.	H	α-helix	trans	-60.9	-50.1	174	-178	-167.3	76.7	0	0	112	G824 Y826 A832	G824-M828 VanDerWaalsContact O-CB 3.26Å; G824-M828 WeakPolarHBondContact O-CB 3.41Å; G824-M828 PolarHBondContact O-N 3.26Å; Y826-M828 VanDerWaalsContact C-N 3.34Å; Y826-M828 PolarHBondContact O-N 2.7Å; M828-A832 WeakPolarHBondContact O-CB 3.4Å; M828-A832 PolarHBondContact O-N 2.88Å
829	L	92.7	Very high	86.8	Confident	11 Å²	11	37 Å²	37	6%	0.058	25%	0.249	C	C	.	.	H	α-helix	trans	-66.8	-40.5	-178	-72.3	172.2	0	0	0	112.6	T733 N736 T825 Y826 K833 F844 L848	T733-L829 HydrophobicContact CG2-CD2 4.37Å; N736-L829 HydrophobicContact CB-CD1 3.45Å; N736-L829 VanDerWaalsContact CB-CD1 3.45Å; T825-L829 HydrophobicContact CG2-CD1 3.87Å; T825-L829 HydrophobicContact CG2-CG 4.43Å; T825-L829 WeakPolarHBondContact O-CB 3.33Å; T825-L829 WeakPolarHBondContact O-CG 3.42Å; T825-L829 PolarHBondContact O-N 3.04Å; Y826-L829 PolarHBondContact O-N 3.25Å; L829-K833 PolarHBondContact O-N 3.11Å; L829-F844 HydrophobicContact CD2-CZ 4.43Å; L829-F844 WeakPolarHBondContact O-CZ 3.28Å; L829-L848 HydrophobicContact CD2-CD1 3.99Å
830	L	91.4	Very high	85.7	Confident	2 Å²	2	41.1 Å²	41.1	1%	0.01	27%	0.271	C	S	.	.	H	α-helix	trans	-67	-45.6	176.7	-74.7	168.6	0	0	0	111.9	A740 M741 Q774 L775 H778 Y826 A832 K833 M834	A740-L830 HydrophobicContact CB-CD1 4.03Å; A740-L830 HydrophobicContact CB-CG 4Å; M741-L830 HydrophobicContact CB-CD2 4.47Å; M741-L830 HydrophobicContact CG-CD2 3.61Å; Q774-L830 HydrophobicContact CG-CD1 4.13Å; L775-L830 HydrophobicContact CB-CB 4.3Å; L775-L830 HydrophobicContact CD1-CB 4.09Å; H778-L830 VanDerWaalsContact CD2-CD1 3.46Å; H778-L830 WeakPolarHBondContact CD2-CD1 3.37Å; Y826-L830 WeakPolarHBondContact O-CG 3.16Å; Y826-L830 PolarHBondContact O-N 2.97Å; L830-A832 VanDerWaalsContact C-N 3.29Å; L830-A832 PolarHBondContact O-N 2.8Å; L830-K833 PolarHBondContact O-N 3.29Å; L830-K833 VanDerWaalsContact O-N 3.12Å; L830-M834 WeakPolarHBondContact O-CB 3.21Å; L830-M834 VanDerWaalsContact O-CG 3.27Å; L830-M834 WeakPolarHBondContact O-CG 3.42Å; L830-M834 PolarHBondContact O-N 2.75Å
831	R	90.9	Very high	84.8	Confident	70 Å²	70	39.5 Å²	39.5	26%	0.264	26%	0.264	S	S	.	.	H	α-helix	trans	-59.6	-41.5	176.6	-167.1	-176.7	-50.2	104.2	14.6	111.7	L252 L775 E779 A827 M834 A835	L252-R831 VanDerWaalsContact CD2-NH2 3.27Å; L775-R831 HydrophobicContact CD1-CB 4.28Å; L775-R831 HydrophobicContact CD2-CB 4.14Å; L775-R831 HydrophobicContact CD2-CG 4.46Å; E779-R831 IonicContact OE1-CZ 2.66Å; E779-R831 IonicContact OE1-NE 3.48Å; E779-R831 PolarHBondContact OE1-NE 3.46Å; E779-R831 IonicContact OE1-NH2 3.53Å; E779-R831 PolarHBondContact OE1-NH2 3.17Å; A827-R831 VanDerWaalsContact O-CB 3.29Å; A827-R831 WeakPolarHBondContact O-CB 3.36Å; A827-R831 PolarHBondContact O-N 3.38Å; R831-M834 PolarHBondContact O-N 2.76Å; R831-A835 WeakPolarHBondContact O-CB 3.29Å; R831-A835 PolarHBondContact O-N 2.98Å
832	A	88.1	Confident	83.7	Confident	35 Å²	35	38.4 Å²	38.4	29%	0.289	26%	0.262	S	S	.	.	H	α-helix	trans	-63.1	-43	175.1	0	0	0	0	0	111.9	M828 L830 M834 D836 F844 L848	M828-A832 WeakPolarHBondContact O-CB 3.4Å; M828-A832 PolarHBondContact O-N 2.88Å; L830-A832 VanDerWaalsContact C-N 3.29Å; L830-A832 PolarHBondContact O-N 2.8Å; A832-M834 PolarHBondContact O-N 3.21Å; A832-D836 WeakPolarHBondContact O-CB 3.4Å; A832-D836 PolarHBondContact O-N 3.05Å; A832-F844 HydrophobicContact CB-CE2 3.72Å; A832-F844 HydrophobicContact CB-CZ 4.14Å; A832-L848 HydrophobicContact CB-CD2 4.42Å
833	K	85.9	Confident	82.3	Confident	14 Å²	14	39.8 Å²	39.8	6%	0.061	27%	0.273	C	S	.	.	H	α-helix	trans	-65.9	-36	176.6	-178.3	172.5	176.8	56.9	0	112.7	M741 L829 L830 D836 G838 A839 F844	M741-K833 HydrophobicContact SD-CD 3.94Å; L829-K833 PolarHBondContact O-N 3.11Å; L830-K833 PolarHBondContact O-N 3.29Å; L830-K833 VanDerWaalsContact O-N 3.12Å; K833-D836 WeakPolarHBondContact O-CB 3.34Å; K833-D836 PolarHBondContact O-N 3.01Å; K833-G838 PolarHBondContact NZ-O 2.89Å; K833-A839 PolarHBondContact NZ-O 3.03Å; K833-F844 HydrophobicContact CB-CD2 4.28Å; K833-F844 HydrophobicContact CB-CE1 4.4Å; K833-F844 HydrophobicContact CB-CE2 3.91Å; K833-F844 HydrophobicContact CB-CZ 3.94Å; K833-F844 VanDerWaalsContact N-CE2 3.31Å
834	M	84.6	Confident	81.3	Confident	56 Å²	56	39.8 Å²	39.8	28%	0.276	27%	0.273	S	S	.	.	H	α-helix	trans	-74.7	-38.7	-179.6	-69.2	167.7	65.6	0	0	112.3	Q771 D772 L775 L830 R831 A832 D836 G837	Q771-M834 HydrophobicContact CB-SD 4.5Å; D772-M834 HydrophobicContact CB-CE 4.15Å; D772-M834 VanDerWaalsContact CG-CE 3.49Å; D772-M834 WeakPolarHBondContact OD1-CE 3.5Å; L775-M834 HydrophobicContact CB-SD 4.01Å; L775-M834 HydrophobicContact CD2-CE 4.04Å; L775-M834 HydrophobicContact CD2-SD 3.58Å; L775-M834 VanDerWaalsContact CD2-SD 3.58Å; L775-M834 HydrophobicContact CG-SD 4.42Å; L830-M834 WeakPolarHBondContact O-CB 3.21Å; L830-M834 VanDerWaalsContact O-CG 3.27Å; L830-M834 WeakPolarHBondContact O-CG 3.42Å; L830-M834 PolarHBondContact O-N 2.75Å; R831-M834 PolarHBondContact O-N 2.76Å; A832-M834 PolarHBondContact O-N 3.21Å; M834-D836 PolarHBondContact O-N 2.72Å; M834-G837 PolarHBondContact O-N 3.3Å
835	A	82.4	Confident	80.4	Confident	92 Å²	92	40.1 Å²	40.1	76%	0.76	27%	0.27	S	S	*	.	H	α-helix	trans	-64.1	-23	172.5	0	0	0	0	0	113.2	R831	R831-A835 WeakPolarHBondContact O-CB 3.29Å; R831-A835 PolarHBondContact O-N 2.98Å
836	D	72.9	Confident	79.3	Confident	49 Å²	49	41.7 Å²	41.7	26%	0.262	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.3	-20.1	-178.5	-168.7	52.8	0	0	0	113.8	A832 K833 M834 G838 R847	A832-D836 WeakPolarHBondContact O-CB 3.4Å; A832-D836 PolarHBondContact O-N 3.05Å; K833-D836 WeakPolarHBondContact O-CB 3.34Å; K833-D836 PolarHBondContact O-N 3.01Å; M834-D836 PolarHBondContact O-N 2.72Å; D836-G838 PolarHBondContact O-N 3.45Å; D836-R847 IonicContact OD1-CZ 3.51Å; D836-R847 IonicContact OD1-NE 2.71Å; D836-R847 PolarHBondContact OD1-NE 2.9Å; D836-R847 IonicContact OD1-NH2 2.75Å; D836-R847 PolarHBondContact OD1-NH2 3.23Å; D836-R847 IonicContact OD2-CZ 3.66Å; D836-R847 IonicContact OD2-NE 2.7Å; D836-R847 IonicContact OD2-NH2 2.65Å; D836-R847 PolarHBondContact OD2-NH2 2.88Å
837	G	62.3	Low	78	Confident	75 Å²	75	47.4 Å²	47.4	77%	0.773	31%	0.308	S	S	*	.			trans	62.9	-6.4	-178	0	0	0	0	0	116.1	M834	M834-G837 PolarHBondContact O-N 3.3Å
838	G	57.5	Low	76.8	Confident	25 Å²	25	50.4 Å²	50.4	26%	0.258	32%	0.323	S	S	.	.			trans	-86.8	133.6	-172	0	0	0	0	0	114.3	K833 D836	K833-G838 PolarHBondContact NZ-O 2.89Å; D836-G838 PolarHBondContact O-N 3.45Å
839	A	59.3	Low	75.2	Confident	90 Å²	90	49.4 Å²	49.4	74%	0.744	32%	0.324	S	S	*	.	S	Bend	trans	-63.9	-47	167	0	0	0	0	0	111.3	K833 L841	K833-A839 PolarHBondContact NZ-O 3.03Å; A839-L841 PolarHBondContact O-N 3.21Å
840	D	71	Confident	73	Confident	87 Å²	87	51.9 Å²	51.9	47%	0.465	35%	0.352	S	S	.	.			trans	-64.4	119.1	-172.7	176.4	31.3	0	0	0	114	A842 A843 F844	D840-A842 VanDerWaalsContact C-N 3.31Å; D840-A842 PolarHBondContact O-N 3.5Å; D840-A842 WeakPolarHBondContact OD1-CB 3.35Å; D840-A842 PolarHBondContact OD1-N 3.39Å; D840-A843 HydrophobicContact CB-CB 4.33Å; D840-A843 WeakPolarHBondContact OD2-CB 3.46Å; D840-A843 PolarHBondContact OD2-N 3.3Å; D840-F844 WeakPolarHBondContact O-CB 3.41Å; D840-F844 PolarHBondContact O-N 3.02Å
841	L	75.6	Confident	70.5	Confident	12 Å²	12	58.5 Å²	58.5	6%	0.063	39%	0.387	C	S	.	.	H	α-helix	trans	-72.9	-19.3	175.2	-71.1	93.8	0	0	0	113.3	Y629 A737 A839 E845	Y629-L841 HydrophobicContact CD1-CD1 4.1Å; Y629-L841 HydrophobicContact CD1-CD2 4.37Å; Y629-L841 HydrophobicContact CE1-CD1 4.15Å; A737-L841 HydrophobicContact CB-CD2 4.37Å; A839-L841 PolarHBondContact O-N 3.21Å; L841-E845 WeakPolarHBondContact O-CB 3.45Å; L841-E845 PolarHBondContact O-N 3.12Å
842	A	72.7	Confident	67.8	Low	40 Å²	40	57.6 Å²	57.6	33%	0.331	40%	0.4	S	S	.	.	H	α-helix	trans	-75	-46.9	176.7	0	0	0	0	0	112.4	D840 F844 E845 A846	D840-A842 VanDerWaalsContact C-N 3.31Å; D840-A842 PolarHBondContact O-N 3.5Å; D840-A842 WeakPolarHBondContact OD1-CB 3.35Å; D840-A842 PolarHBondContact OD1-N 3.39Å; A842-F844 VanDerWaalsContact C-N 3.33Å; A842-F844 PolarHBondContact O-N 3.34Å; A842-E845 PolarHBondContact O-N 3.02Å; A842-A846 VanDerWaalsContact O-CB 3.32Å; A842-A846 WeakPolarHBondContact O-CB 3.29Å; A842-A846 PolarHBondContact O-N 3.23Å
843	A	67.1	Low	65.3	Low	30 Å²	30	58.9 Å²	58.9	25%	0.248	42%	0.417	C	S	.	.	H	α-helix	trans	-60.9	-41.5	172.8	0	0	0	0	0	111.9	D840 A846 R847	D840-A843 HydrophobicContact CB-CB 4.33Å; D840-A843 WeakPolarHBondContact OD2-CB 3.46Å; D840-A843 PolarHBondContact OD2-N 3.3Å; A843-A846 PolarHBondContact O-N 3.33Å; A843-R847 VanDerWaalsContact O-CZ 3.25Å; A843-R847 PolarHBondContact O-N 3.26Å; A843-R847 PolarHBondContact O-NH1 3.08Å
844	F	75.2	Confident	63.4	Low	6 Å²	6	66.2 Å²	66.2	3%	0.026	46%	0.455	C	S	.	.	H	α-helix	trans	-59.9	-48.7	173.2	168.9	-115.8	0	0	0	112.5	L829 A832 K833 D840 A842 A846 R847 L848	L829-F844 HydrophobicContact CD2-CZ 4.43Å; L829-F844 WeakPolarHBondContact O-CZ 3.28Å; A832-F844 HydrophobicContact CB-CE2 3.72Å; A832-F844 HydrophobicContact CB-CZ 4.14Å; K833-F844 HydrophobicContact CB-CD2 4.28Å; K833-F844 HydrophobicContact CB-CE1 4.4Å; K833-F844 HydrophobicContact CB-CE2 3.91Å; K833-F844 HydrophobicContact CB-CZ 3.94Å; K833-F844 VanDerWaalsContact N-CE2 3.31Å; D840-F844 WeakPolarHBondContact O-CB 3.41Å; D840-F844 PolarHBondContact O-N 3.02Å; A842-F844 VanDerWaalsContact C-N 3.33Å; A842-F844 PolarHBondContact O-N 3.34Å; F844-A846 PolarHBondContact O-N 2.98Å; F844-R847 PolarHBondContact O-N 3Å; F844-L848 HydrophobicContact CD1-CD1 4.24Å; F844-L848 HydrophobicContact CD2-CD1 4.38Å; F844-L848 HydrophobicContact CD2-CG 4.49Å; F844-L848 HydrophobicContact CE1-CD1 3.65Å; F844-L848 HydrophobicContact CE2-CD1 3.78Å; F844-L848 HydrophobicContact CE2-CG 4.07Å; F844-L848 HydrophobicContact CZ-CD1 3.41Å; F844-L848 VanDerWaalsContact CZ-CD1 3.41Å; F844-L848 HydrophobicContact CZ-CG 4.2Å; F844-L848 PolarHBondContact O-N 3.39Å
845	E	78.1	Confident	61	Low	25 Å²	25	72 Å²	72	12%	0.117	48%	0.482	C	S	.	.	H	α-helix	trans	-62.4	-41.8	176.3	-177.7	-169	163.6	0	0	112.1	S730 R734 L841 A842 R847 L848 C849	S730-E845 WeakPolarHBondContact CA-OE1 3.24Å; S730-E845 WeakPolarHBondContact CB-OE1 3.24Å; S730-E845 PolarHBondContact OG-OE1 2.78Å; S730-E845 PolarHBondContact OG-OE2 2.94Å; R734-E845 IonicContact CZ-OE2 3.58Å; R734-E845 IonicContact NE-OE2 2.84Å; R734-E845 PolarHBondContact NE-OE2 2.88Å; R734-E845 IonicContact NH2-OE2 3.19Å; R734-E845 PolarHBondContact NH2-OE2 3.42Å; L841-E845 WeakPolarHBondContact O-CB 3.45Å; L841-E845 PolarHBondContact O-N 3.12Å; A842-E845 PolarHBondContact O-N 3.02Å; E845-R847 VanDerWaalsContact C-N 3.29Å; E845-R847 PolarHBondContact O-N 2.95Å; E845-L848 PolarHBondContact O-N 3.13Å; E845-C849 PolarHBondContact O-N 2.73Å; E845-C849 PolarHBondContact O-SG 2.98Å
846	A	70.6	Confident	58.7	Low	64 Å²	64	77.4 Å²	77.4	53%	0.529	48%	0.483	S	S	.	.	H	α-helix	trans	-63	-34.6	178	0	0	0	0	0	112.1	A842 A843 F844 G850	A842-A846 VanDerWaalsContact O-CB 3.32Å; A842-A846 WeakPolarHBondContact O-CB 3.29Å; A842-A846 PolarHBondContact O-N 3.23Å; A843-A846 PolarHBondContact O-N 3.33Å; F844-A846 PolarHBondContact O-N 2.98Å; A846-G850 WeakPolarHBondContact O-CA 3.3Å; A846-G850 PolarHBondContact O-N 3.46Å
847	R	69.7	Low	56.5	Low	119 Å²	119	80 Å²	80	45%	0.449	51%	0.511	S	S	.	.	H	α-helix	trans	-71.8	-44.5	171.8	-77.3	-178.5	-73.3	-79.9	5	112.5	D836 A843 F844 E845 C849 G850 D851	D836-R847 IonicContact OD1-CZ 3.51Å; D836-R847 IonicContact OD1-NE 2.71Å; D836-R847 PolarHBondContact OD1-NE 2.9Å; D836-R847 IonicContact OD1-NH2 2.75Å; D836-R847 PolarHBondContact OD1-NH2 3.23Å; D836-R847 IonicContact OD2-CZ 3.66Å; D836-R847 IonicContact OD2-NE 2.7Å; D836-R847 IonicContact OD2-NH2 2.65Å; D836-R847 PolarHBondContact OD2-NH2 2.88Å; A843-R847 VanDerWaalsContact O-CZ 3.25Å; A843-R847 PolarHBondContact O-N 3.26Å; A843-R847 PolarHBondContact O-NH1 3.08Å; F844-R847 PolarHBondContact O-N 3Å; E845-R847 VanDerWaalsContact C-N 3.29Å; E845-R847 PolarHBondContact O-N 2.95Å; R847-C849 PolarHBondContact O-N 3.36Å; R847-C849 VanDerWaalsContact O-N 3.16Å; R847-G850 PolarHBondContact O-N 3.48Å; R847-D851 PolarHBondContact O-N 3.32Å
848	L	69.8	Low	55.3	Low	68 Å²	68	83.7 Å²	83.7	36%	0.356	51%	0.508	S	S	.	.	H	α-helix	trans	-59.6	-22.9	174.3	-79.9	178	0	0	0	114.4	T733 L829 A832 F844 E845	T733-L848 HydrophobicContact CG2-CD1 3.9Å; L829-L848 HydrophobicContact CD2-CD1 3.99Å; A832-L848 HydrophobicContact CB-CD2 4.42Å; F844-L848 HydrophobicContact CD1-CD1 4.24Å; F844-L848 HydrophobicContact CD2-CD1 4.38Å; F844-L848 HydrophobicContact CD2-CG 4.49Å; F844-L848 HydrophobicContact CE1-CD1 3.65Å; F844-L848 HydrophobicContact CE2-CD1 3.78Å; F844-L848 HydrophobicContact CE2-CG 4.07Å; F844-L848 HydrophobicContact CZ-CD1 3.41Å; F844-L848 VanDerWaalsContact CZ-CD1 3.41Å; F844-L848 HydrophobicContact CZ-CG 4.2Å; F844-L848 PolarHBondContact O-N 3.39Å; E845-L848 PolarHBondContact O-N 3.13Å
849	C	61.6	Low	54	Low	68 Å²	68	87.9 Å²	87.9	46%	0.459	53%	0.533	S	S	.	.	H	α-helix	trans	-102.8	-27.1	177.6	-57.5	0	0	0	0	113.3	E845 R847	E845-C849 PolarHBondContact O-N 2.73Å; E845-C849 PolarHBondContact O-SG 2.98Å; R847-C849 PolarHBondContact O-N 3.36Å; R847-C849 VanDerWaalsContact O-N 3.16Å
850	G	45.9	Very low	52.5	Low	63 Å²	63	89 Å²	89	65%	0.649	54%	0.535	S	S	*	.	H	α-helix	trans	-86.8	-31.5	-176.8	0	0	0	0	0	114	A846 R847 G852	A846-G850 WeakPolarHBondContact O-CA 3.3Å; A846-G850 PolarHBondContact O-N 3.46Å; R847-G850 PolarHBondContact O-N 3.48Å; G850-G852 PolarHBondContact O-N 2.8Å
851	D	39.5	Very low	50.7	Low	140 Å²	140	90.9 Å²	90.9	75%	0.749	55%	0.553	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75	119.8	163.8	-164.1	18.7	0	0	0	108.3	R847 G853	R847-D851 PolarHBondContact O-N 3.32Å; D851-G853 PolarHBondContact O-N 2.95Å
852	G	35	Very low	48.4	Very low	51 Å²	51	96.1 Å²	96.1	53%	0.526	59%	0.59	S	S	.	*	T	Hydrogen-bonded Turn	trans	-59.9	102.3	-150.6	0	0	0	0	0	114.7	G850 L854 Q855	G850-G852 PolarHBondContact O-N 2.8Å; G852-L854 PolarHBondContact O-N 3.49Å; G852-Q855 PolarHBondContact O-N 3Å
853	G	35.8	Very low	46.3	Very low	63 Å²	63	102 Å²	102	65%	0.649	62%	0.615	S	S	*	*	T	Hydrogen-bonded Turn	trans	-46.1	106.9	-171.4	0	0	0	0	0	115	D851 Q855	D851-G853 PolarHBondContact O-N 2.95Å; G853-Q855 PolarHBondContact O-N 3.37Å
854	L	45.3	Very low	44.8	Very low	167 Å²	167	106.4 Å²	106.4	87%	0.874	64%	0.641	S	S	*	*	T	Hydrogen-bonded Turn	trans	55.8	42.5	174.4	-60.3	172.8	0	0	0	115.3	G852	G852-L854 PolarHBondContact O-N 3.49Å
855	Q	33.4	Very low	42.6	Very low	178 Å²	178	115.5 Å²	115.5	83%	0.832	68%	0.684	S	S	*	*			trans	-100.9	145.8	161.2	-64.9	-151.1	3.2	0	0	112.8	G852 G853 A857	G852-Q855 PolarHBondContact O-N 3Å; G853-Q855 PolarHBondContact O-N 3.37Å; Q855-A857 PolarHBondContact O-N 2.83Å
856	R	34	Very low	40.2	Very low	205 Å²	205	122.2 Å²	122.2	77%	0.774	72%	0.72	S	S	*	*			trans	-67.3	129.2	-170	-64.8	178.1	-179.4	142.8	-1.6	111.8	H858	R856-H858 VanDerWaalsContact CD-NE2 3.31Å; R856-H858 WeakPolarHBondContact CD-NE2 3.31Å; R856-H858 PolarHBondContact O-N 3.47Å
857	A	26.7	Very low	38.2	Very low	104 Å²	104	124 Å²	124	86%	0.86	74%	0.735	S	S	*	*			trans	-70.5	71.3	165.7	0	0	0	0	0	111.7	Q855 S859	Q855-A857 PolarHBondContact O-N 2.83Å; A857-S859 VanDerWaalsContact C-N 3.27Å; A857-S859 PolarHBondContact O-N 3.15Å; A857-S859 VanDerWaalsContact O-N 3.15Å
858	H	37.5	Very low	36.3	Very low	153 Å²	153	123.3 Å²	123.3	71%	0.708	76%	0.755	S	S	*	*			trans	-82.8	70.5	167.5	-77.3	-57.6	0	0	0	110.7	R856	R856-H858 VanDerWaalsContact CD-NE2 3.31Å; R856-H858 WeakPolarHBondContact CD-NE2 3.31Å; R856-H858 PolarHBondContact O-N 3.47Å
859	S	29.6	Very low	34.4	Very low	112 Å²	112	125.1 Å²	125.1	78%	0.783	78%	0.78	S	S	*	*			trans	-146.6	87.1	174.8	-73.7	0	0	0	0	111.8	A857	A857-S859 VanDerWaalsContact C-N 3.27Å; A857-S859 PolarHBondContact O-N 3.15Å; A857-S859 VanDerWaalsContact O-N 3.15Å
860	S	27.8	Very low	32.8	Very low	113 Å²	113	126.7 Å²	126.7	79%	0.79	80%	0.798	S	S	*	*			trans	-95	137.4	156	-65.6	0	0	0	0	108.5
861	P	33.1	Very low	32.1	Very low	128 Å²	128	134.8 Å²	134.8	83%	0.831	81%	0.809	S	S	*	*			trans	-73.1	133.5	-175	29.3	-34.6	0	0	0	111.8
862	S	28	Very low	31.5	Very low	122 Å²	122	133.5 Å²	133.5	85%	0.853	80%	0.801	S	S	*	*			trans	-105.3	105.9	171	-63.4	0	0	0	0	109.6
863	L	28.2	Very low	31.4	Very low	163 Å²	163	138.5 Å²	138.5	85%	0.853	81%	0.809	S	S	*	*			trans	-92.3	150.1	164	-80.1	171.1	0	0	0	110
864	P	36	Very low	31	Very low	123 Å²	123	140 Å²	140	80%	0.799	81%	0.81	S	S	*	*			trans	-82.4	157.5	-166.9	33.7	-36.8	0	0	0	113.1
865	Q	28.1	Very low	30.2	Very low	196 Å²	196	144 Å²	144	92%	0.916	81%	0.813	S	S	*	*			trans	-145.9	144.6	161.5	-152	167.2	22.3	0	0	111
866	D	28.1	Very low	29.9	Very low	166 Å²	166	139.1 Å²	139.1	89%	0.888	81%	0.81	S	S	*	*			trans	-79.4	170.6	-166.4	-79.6	-69.4	0	0	0	115.9
867	A	29.9	Very low	29.8	Very low	102 Å²	102	133.6 Å²	133.6	84%	0.843	81%	0.808	S	S	*	*			trans	-79.4	147.9	-172	0	0	0	0	0	115
868	A	28.5	Very low	30.2	Very low	105 Å²	105	138.2 Å²	138.2	87%	0.868	81%	0.809	S	S	*	*			trans	-156.7	149.6	141.8	0	0	0	0	0	113
869	A	30.4	Very low	29.9	Very low	105 Å²	105	137.3 Å²	137.3	87%	0.868	82%	0.815	S	S	*	*			trans	-68.7	155	-169	0	0	0	0	0	118
870	A	29.2	Very low	30	Very low	101 Å²	101	136.8 Å²	136.8	84%	0.835	81%	0.811	S	S	*	*			trans	-151.9	152.4	139.9	0	0	0	0	0	112.2
871	R	30.2	Very low	30.1	Very low	234 Å²	234	143 Å²	143	88%	0.883	82%	0.817	S	S	*	*			trans	-96.6	174.1	167.9	-74.3	176.9	168.2	165.8	-5.5	108.2
872	D	26.9	Very low	30	Very low	112 Å²	112	141.7 Å²	141.7	60%	0.599	81%	0.811	S	S	*	*			cis	-166.8	176.8	35.7	-152.6	14.5	0	0	0	115
873	K	33.2	Very low	30.1	Very low	156 Å²	156	144.3 Å²	144.3	68%	0.678	81%	0.814	S	S	*	*			trans	-12.3	165.6	157.5	-69.7	170.8	-150.9	78.4	0	120.7
874	S	27.6	Very low	30.1	Very low	96 Å²	96	146.1 Å²	146.1	67%	0.671	82%	0.815	S	S	*	*			cis	175.3	154.4	-23	65.3	0	0	0	0	110.7
875	R	27.9	Very low	29.8	Very low	250 Å²	250	144.8 Å²	144.8	94%	0.943	82%	0.815	S	S	*	*			trans	163.8	159.8	140.1	-93.1	169.3	171.7	-175.8	-3	112.8
876	G	28.1	Very low	30	Very low	75 Å²	75	141.8 Å²	141.8	77%	0.773	81%	0.81	S	S	*	*			trans	-117.9	-153.3	175.2	0	0	0	0	0	112.7
877	A	32	Very low	30.7	Very low	89 Å²	89	139.2 Å²	139.2	74%	0.736	80%	0.802	S	S	*	*			cis	-169.4	176.3	8.2	0	0	0	0	0	112.5
878	K	34.3	Very low	30.6	Very low	202 Å²	202	138.9 Å²	138.9	88%	0.878	79%	0.794	S	S	*	*			trans	78.2	151	168	-53.8	171	-177.5	175	0	114.1
879	T	30.9	Very low	30.6	Very low	133 Å²	133	139 Å²	139	82%	0.816	79%	0.789	S	S	*	*			cis	-138.5	175.5	32.4	45.2	0	0	0	0	116.9
880	S	31.1	Very low	30.5	Very low	102 Å²	102	139.4 Å²	139.4	71%	0.713	79%	0.785	S	S	*	*			trans	-47.8	167.8	173.5	51.9	0	0	0	0	118.6
881	R	31.5	Very low	30.5	Very low	244 Å²	244	139.5 Å²	139.5	92%	0.921	78%	0.779	S	S	*	*			cis	-158.7	171.8	5	-128.3	168.8	-172	174.4	1.4	111.1
882	S	29.5	Very low	30.4	Very low	99 Å²	99	133.6 Å²	133.6	69%	0.692	77%	0.774	S	S	*	*			trans	-126	156.1	172.7	170.4	0	0	0	0	111.1
883	L	29.8	Very low	30.5	Very low	177 Å²	177	133 Å²	133	93%	0.927	78%	0.778	S	S	*	*			trans	-145.4	156.6	154.4	-81.7	-171.5	0	0	0	111.6
884	K	29.1	Very low	30.3	Very low	201 Å²	201	131.5 Å²	131.5	87%	0.874	78%	0.782	S	S	*	*			trans	-160.7	138.6	-168.8	163.3	-170	174.1	-176.5	0	109.4
885	A	28.9	Very low	30.4	Very low	96 Å²	96	132.3 Å²	132.3	79%	0.793	78%	0.783	S	S	*	*			trans	-172.9	148.8	148.7	0	0	0	0	0	113.3
886	T	32.9	Very low	30.4	Very low	133 Å²	133	129.2 Å²	129.2	82%	0.816	78%	0.777	S	S	*	*			trans	-107.2	-179.7	160.2	53.1	0	0	0	0	109
887	P	44.1	Very low	30.3	Very low	111 Å²	111	130.2 Å²	130.2	72%	0.721	77%	0.772	S	S	*	*				-157	175.3	100.2	38.7	-18.4	0	0	0	118.6
888	S	27.4	Very low	30.1	Very low	96 Å²	96	131.5 Å²	131.5	67%	0.671	78%	0.775	S	S	*	*			trans	66.3	89.1	140.8	60.9	0	0	0	0	124.1
889	S	28.6	Very low	29.7	Very low	108 Å²	108	126.6 Å²	126.6	76%	0.755	77%	0.772	S	S	*	*				64.6	152.1	105.5	67.9	0	0	0	0	125.4
890	S	27.3	Very low	29.5	Very low	113 Å²	113	128 Å²	128	79%	0.79	77%	0.767	S	S	*	*			trans	94.3	148.7	158.4	81.9	0	0	0	0	118.1
891	S	29.3	Very low	29.4	Very low	102 Å²	102	130.8 Å²	130.8	71%	0.713	77%	0.769	S	S	*	*			cis	-169.2	172.4	-27.9	58.7	0	0	0	0	112.7
892	S	27.7	Very low	29.1	Very low	110 Å²	110	122.8 Å²	122.8	77%	0.769	76%	0.763	S	S	*	*			trans	82.4	148.8	160.7	83.3	0	0	0	0	119.7
893	S	30.3	Very low	29.2	Very low	99 Å²	99	123.2 Å²	123.2	69%	0.692	77%	0.772	S	S	*	*			cis	-172.4	176.2	-27.2	56.2	0	0	0	0	112.6
894	V	28.2	Very low	29.1	Very low	125 Å²	125	118.1 Å²	118.1	76%	0.758	76%	0.762	S	S	*	*			trans	75.3	133.7	158.1	173	0	0	0	0	118.5
895	T	28.7	Very low	29.8	Very low	113 Å²	113	113.6 Å²	113.6	69%	0.693	75%	0.753	S	S	*	*			cis	-162.5	151.3	-19.3	31.2	0	0	0	0	114
896	K	28	Very low	30.1	Very low	185 Å²	185	117.8 Å²	117.8	80%	0.804	75%	0.754	S	S	*	*			trans	49.2	108.5	138.3	-66.6	-175.5	175.5	-178.1	0	124.4
897	S	27	Very low	30	Very low	96 Å²	96	119 Å²	119	67%	0.671	76%	0.756	S	S	*	*				32.5	132.7	111.1	67.1	0	0	0	0	124.9
898	S	26.9	Very low	29.3	Very low	116 Å²	116	117.3 Å²	117.3	81%	0.811	76%	0.758	S	S	*	*				76.4	105.6	127.6	68.2	0	0	0	0	124.5
899	A	27.6	Very low	29.4	Very low	99 Å²	99	121.9 Å²	121.9	82%	0.818	77%	0.769	S	S	*	*			trans	-168.8	141.9	135.2	0	0	0	0	0	107.1
900	K	26.7	Very low	29.5	Very low	163 Å²	163	127.1 Å²	127.1	71%	0.709	77%	0.772	S	S	*	*			cis	94.8	122.2	21.8	-160.9	-171.1	-178.7	-113.5	0	114.4
901	E	27.3	Very low	29.8	Very low	160 Å²	160	126 Å²	126	75%	0.748	77%	0.769	S	S	*	*			trans	64.4	145.6	171.6	-76.3	146.9	171.5	0	0	117.7
902	G	26.6	Very low	29.9	Very low	77 Å²	77	127.5 Å²	127.5	79%	0.794	77%	0.765	S	S	*	*			cis	162.6	146.8	-11.3	0	0	0	0	0	113.7
903	A	30.9	Very low	30.2	Very low	107 Å²	107	128.7 Å²	128.7	88%	0.884	76%	0.762	S	S	*	*			trans	-161.6	118.2	163.6	0	0	0	0	0	111.8
904	G	27	Very low	30.1	Very low	70 Å²	70	131.5 Å²	131.5	72%	0.722	76%	0.764	S	S	*	*			trans	-105.5	-154.3	146.8	0	0	0	0	0	108.6
905	P	45.2	Very low	30.3	Very low	106 Å²	106	133.8 Å²	133.8	69%	0.688	76%	0.764	S	S	*	*			cis	-141.2	-167.2	0.2	42.1	-23.7	0	0	0	114
906	K	34.1	Very low	30.4	Very low	184 Å²	184	136.2 Å²	136.2	80%	0.8	77%	0.767	S	S	*	*			trans	70.8	149.6	159.2	-67.4	168.9	-174.7	177.7	0	116.9
907	N	30.7	Very low	30.6	Very low	160 Å²	160	132.2 Å²	132.2	86%	0.856	76%	0.763	S	S	*	*			cis	-165	161.6	-23.2	-117.9	11.6	0	0	0	107.3
908	G	30.4	Very low	30.8	Very low	75 Å²	75	132.4 Å²	132.4	77%	0.773	76%	0.764	S	S	*	*			trans	160.9	106.3	166.4	0	0	0	0	0	115.7
909	Q	30	Very low	31.1	Very low	192 Å²	192	135.6 Å²	135.6	90%	0.897	76%	0.763	S	S	*	*			trans	-68.4	140.2	-169.4	-68.2	144.5	-80	0	0	116.7
910	R	29.1	Very low	31.4	Very low	218 Å²	218	137.9 Å²	137.9	82%	0.823	76%	0.757	S	S	*	*			trans	-35.4	132.2	141.5	161.6	-165.6	175.3	174.7	2.2	113.9
911	A	33.7	Very low	32.1	Very low	88 Å²	88	138 Å²	138	73%	0.727	76%	0.761	S	S	*	*			trans	172.3	157.8	147.2	0	0	0	0	0	110.8
912	E	32	Very low	32.8	Very low	135 Å²	135	139.3 Å²	139.3	63%	0.631	77%	0.766	S	S	*	*			cis	-170.6	159.9	-40.8	-135.2	-178.4	129.6	0	0	109.8
913	L	33	Very low	33.5	Very low	134 Å²	134	140.2 Å²	140.2	70%	0.702	77%	0.767	S	S	*	*			trans	64.4	166.5	156.2	-61.3	170.4	0	0	0	118.5
914	Q	29.8	Very low	34	Very low	158 Å²	158	143.8 Å²	143.8	74%	0.738	80%	0.796	S	S	*	*			cis	-177.3	137.6	-31.5	175.3	-177.6	49.3	0	0	110
915	K	31.5	Very low	34.4	Very low	174 Å²	174	147.5 Å²	147.5	76%	0.757	80%	0.8	S	S	*	*			trans	172.1	132	146.6	-96.7	171.7	176.6	179.9	0	109.2
916	Q	30.7	Very low	33.8	Very low	163 Å²	163	149.7 Å²	149.7	76%	0.762	81%	0.806	S	S	*	*				61.6	138.4	75	-65.4	-177.8	-24	0	0	114.1
917	S	31.7	Very low	33.8	Very low	101 Å²	101	147.8 Å²	147.8	71%	0.706	81%	0.806	S	S	*	*			cis	-174.2	163.5	-14.5	-172.2	0	0	0	0	110.4
918	S	32.8	Very low	34	Very low	101 Å²	101	147.1 Å²	147.1	71%	0.706	80%	0.803	S	S	*	*			trans	82.2	145.3	148.6	-55.1	0	0	0	0	122.2
919	K	32.6	Very low	34.2	Very low	182 Å²	182	151.6 Å²	151.6	79%	0.791	81%	0.805	S	S	*	*			trans	75	146	156.4	-72.7	-163.8	172.9	-125.5	0	119.9
920	Q	33.1	Very low	34.5	Very low	148 Å²	148	148.9 Å²	148.9	69%	0.692	80%	0.799	S	S	*	*			cis	-161.6	165.7	-23	-165.4	160.8	-14.6	0	0	109.9
921	E	43.1	Very low	34.9	Very low	166 Å²	166	143.9 Å²	143.9	78%	0.776	80%	0.797	S	S	*	*			trans	-72.5	149.5	175.9	-75.2	153.4	117.6	0	0	116.1
922	E	40	Very low	35	Very low	186 Å²	186	148.2 Å²	148.2	87%	0.869	80%	0.803	S	S	*	*			trans	68	159.9	131	-161.5	168.7	-135.7	0	0	122.7
923	A	41.4	Very low	35.2	Very low	97 Å²	97	149.3 Å²	149.3	80%	0.802	82%	0.817	S	S	*	*			trans	82.1	89.6	160	0	0	0	0	0	120
924	A	42.9	Very low	35.4	Very low	182 Å²	182	150.7 Å²	150.7	100%	1.504	83%	0.828	S	S	*	*			trans	-156	0	138.6	0	0	0	0	0	110

Retrieved 924 of 924 residues in 703.4 ms (Link to these results)

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