A0A077ZK12_TRITR Loading...

Sno, strawberry notch 1

AlphaFold DB , UniProt , Accession A0A077ZK12, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 1,269 aa.

						>A0A077ZK12_TRITR|A0A077ZK12
MFMNQGSAARLAMSATSHRPRPSFSRFASHSQGTNSSVPDIGRTRVGPLSPYPSVKAEIEDSNSEEGDTTEVEDVSPEEDFALSHADTYSDYAPSKLRSGLPHPDPVVETSSLTSVQPPEIWYHISIPEHVIDTGRLSALQLETIIYACQQHENILPNGERSGYLIGDGPGVGKGRTIAGIIYENYLLGRKRSIWFSVSSDLKYDAQRDLADVGAEKIKVHALNKFKYTKISGKENGSVKKGVIFATYASLIGESQNAKSKYRTRIKQLLHWCGGPLFDGVIVLDECHRAKNLVPSGSSRPTKTGKTVMELQTALPKARIVYASATGATEPRHMAYMTRLGLWGEGRAFPDFGSFISAVERRGVGAMEIIAMDMKLRGLYLARQLSFTGVSFRVEEVTLSADFIHMYDESVKLWLEARRQFQLVIGILSADKNQRKAMWGQFWAAHQRFFKYLCIAAKVKACVRLARESVRNGKCVVIGLQSTGEARTLEQLDEYGGELTDFVSTAKGVFQALIEKHFPSGENDFIAMSVVGAKRSQSTSQRHAKRQVPTKKSRFEHSLSDTELSSELSLSSDEKAIADEWAELSERNSRTNLNEASGSDGDGSDEESSSSEEVRDSFNPFMMGDDSDEGKLTFLKSLYLNYANMDVDPWEEKMKIADTIRKVQKRKHRSKSTKEEEDTVKELNAKAESVVSENVVSADEFLHSGSSFLAPDFTPLRLASELGLSQVQVVKADLLAAIERLGEILPPNTLDELINELGGPQNVAELRNDGDVPVEMMNMTEKERFMNGSKRIAIISEAASSGISLHADRRVSNHKRRVHITLELPWSADKAVQQFGRTHRSNQVSSPEYIFLISELAGEQRFASIVAKRLESLGALTHGDRRATETRDLSQFNLDTKYGRAALETTLKSILGWVAPIVPSPADYKGSFFNDMLQFMEGVGFVYRESNNRPFQLEKDINMTKFLNRILGLPVSAQNALFQYFADTLKEVVDQAKRDGRYDLGILDLGLPHEKVKKVKTTTYVGTMRAAGMKIELHVVSVERGMLWNEAMDMYCLNMGDDDGFYISTVCLRIVQFAPFNPRLKPTAILICAARGRRSVKSDQQLFFVYKPYCAYNPKTEPLSNIKQRYRRVLPKDAEPIWREMYDSSDTNCQHIYWYWAVHGKCKAAKSGHLCEMGKRVRMFHILSGSVVSTWNLVIFFCATALLFFLMNAFQLEDVVATASTRQQNRMQVVRLRTDQNQKLVGLIIPNSCVETLMAYLQKSSNQFFVKGY
					

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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	26.5	Very low	28.5	Very low	232 Å²	232	159.6 Å²	159.6	100%	1.143	87%	0.874	S	S	*	*				0	118.8	0	-84	178.7	170.5	0	0	108
2	F	29.5	Very low	28.4	Very low	203 Å²	203	154.4 Å²	154.4	89%	0.89	87%	0.868	S	S	*	*			trans	-178	82.8	138.6	-91.3	-64.8	0	0	0	105.2
3	M	24.6	Very low	28.4	Very low	185 Å²	185	156.4 Å²	156.4	91%	0.911	87%	0.87	S	S	*	*			trans	-60.4	128	151.6	-80.5	175	162.1	0	0	106.3
4	N	31.7	Very low	28.3	Very low	158 Å²	158	152.6 Å²	152.6	85%	0.845	86%	0.859	S	S	*	*			trans	-138.7	115.1	156.3	-123.2	-6.2	0	0	0	108.6
5	Q	29.5	Very low	28.2	Very low	193 Å²	193	149.3 Å²	149.3	90%	0.902	86%	0.859	S	S	*	*			trans	-69.6	124.6	176.8	-65.6	172.5	-9.7	0	0	108.5
6	G	31	Very low	28.2	Very low	76 Å²	76	147.6 Å²	147.6	78%	0.784	85%	0.852	S	S	*	*			trans	-120.2	104.3	171.7	0	0	0	0	0	109
7	S	30.1	Very low	28.1	Very low	118 Å²	118	145.3 Å²	145.3	83%	0.825	85%	0.846	S	S	*	*			trans	-48.3	131.2	-177.7	51	0	0	0	0	114.6	A9	S7-A9 PolarHBondContact O-N 3.04Å; S7-A9 VanDerWaalsContact O-N 3.14Å
8	A	27.8	Very low	28.1	Very low	98 Å²	98	147.6 Å²	147.6	81%	0.81	85%	0.847	S	S	*	*			trans	-63.1	103.2	171	0	0	0	0	0	111.9	R10	A8-R10 PolarHBondContact O-N 3.13Å
9	A	27.2	Very low	27.9	Very low	93 Å²	93	151.9 Å²	151.9	77%	0.769	85%	0.849	S	S	*	*			trans	-75	99.2	164.2	0	0	0	0	0	109.1	S7 L11	S7-A9 PolarHBondContact O-N 3.04Å; S7-A9 VanDerWaalsContact O-N 3.14Å; A9-L11 PolarHBondContact O-N 2.66Å
10	R	28.3	Very low	28	Very low	244 Å²	244	150.6 Å²	150.6	92%	0.921	85%	0.846	S	S	*	*			trans	-63.9	95.7	167.5	-75.9	179.1	-178.3	172.4	0.6	109.3	A8 A12	A8-R10 PolarHBondContact O-N 3.13Å; R10-A12 PolarHBondContact O-N 3.44Å; R10-A12 VanDerWaalsContact O-N 3.16Å
11	L	27.5	Very low	27.9	Very low	156 Å²	156	154.9 Å²	154.9	82%	0.817	85%	0.849	S	S	*	*			trans	-74.2	96.1	162.2	-95.7	153.2	0	0	0	108.4	A9 M13	A9-L11 PolarHBondContact O-N 2.66Å; L11-M13 PolarHBondContact O-N 3.45Å
12	A	27.2	Very low	28	Very low	97 Å²	97	149.5 Å²	149.5	80%	0.802	83%	0.832	S	S	*	*			trans	-65.9	95.8	168.5	0	0	0	0	0	109.3	R10 S14	R10-A12 PolarHBondContact O-N 3.44Å; R10-A12 VanDerWaalsContact O-N 3.16Å; A12-S14 PolarHBondContact O-N 3Å
13	M	28.4	Very low	27.9	Very low	180 Å²	180	145.4 Å²	145.4	89%	0.887	83%	0.828	S	S	*	*			trans	-75.5	98.4	165.2	-73.5	-161.4	175.9	0	0	108.5	L11 A15	L11-M13 PolarHBondContact O-N 3.45Å; M13-A15 PolarHBondContact O-N 2.85Å
14	S	27.3	Very low	28	Very low	103 Å²	103	146.3 Å²	146.3	72%	0.72	83%	0.828	S	S	*	*			trans	-63	121.2	169.4	69.9	0	0	0	0	109.1	A12 T16	A12-S14 PolarHBondContact O-N 3Å; S14-T16 PolarHBondContact O-N 3.28Å
15	A	27.1	Very low	27.8	Very low	104 Å²	104	144 Å²	144	86%	0.86	82%	0.824	S	S	*	*			trans	-61.2	100.5	173.9	0	0	0	0	0	110.7	M13 S17	M13-A15 PolarHBondContact O-N 2.85Å; A15-S17 PolarHBondContact O-N 3.5Å
16	T	26.9	Very low	27.7	Very low	121 Å²	121	146.2 Å²	146.2	74%	0.742	82%	0.824	S	S	*	*			trans	-72.8	107.3	164.9	41.5	0	0	0	0	108.7	S14 H18	S14-T16 PolarHBondContact O-N 3.28Å; T16-H18 PolarHBondContact O-N 3.34Å; T16-H18 VanDerWaalsContact O-N 3.1Å
17	S	27.4	Very low	27.5	Very low	109 Å²	109	152.7 Å²	152.7	76%	0.762	83%	0.831	S	S	*	*			trans	-59.1	106.1	173.6	58.8	0	0	0	0	110.8	A15 R19	A15-S17 PolarHBondContact O-N 3.5Å; S17-R19 PolarHBondContact O-N 3.5Å; S17-R19 VanDerWaalsContact O-N 3.1Å
18	H	28.2	Very low	27.5	Very low	187 Å²	187	151.9 Å²	151.9	87%	0.866	83%	0.831	S	S	*	*			trans	-68	104.4	167.5	-93.9	-48.2	0	0	0	109.5	T16	T16-H18 PolarHBondContact O-N 3.34Å; T16-H18 VanDerWaalsContact O-N 3.1Å
19	R	25	Very low	27.5	Very low	230 Å²	230	152.6 Å²	152.6	87%	0.868	83%	0.831	S	S	*	*	P	Polyproline II helix	trans	-64.2	127.5	164.5	-79.2	-176.2	175.4	-174.2	-1.2	109.2	S17	S17-R19 PolarHBondContact O-N 3.5Å; S17-R19 VanDerWaalsContact O-N 3.1Å
20	P	28.5	Very low	27.4	Very low	124 Å²	124	157.6 Å²	157.6	81%	0.805	84%	0.837	S	S	*	*	P	Polyproline II helix	trans	-71	135.2	179	27.5	-31.3	0	0	0	110.9
21	R	25.8	Very low	27.4	Very low	241 Å²	241	151.3 Å²	151.3	91%	0.909	83%	0.831	S	S	*	*	P	Polyproline II helix	trans	-66.7	141.2	176.6	-77.5	179.5	171.9	179.5	-2.9	110.5
22	P	28.8	Very low	27.3	Very low	120 Å²	120	153.1 Å²	153.1	78%	0.779	84%	0.835	S	S	*	*	P	Polyproline II helix	trans	-75.6	130.8	-173.9	0.3	16.6	0	0	0	111
23	S	28.2	Very low	27.3	Very low	116 Å²	116	152.1 Å²	152.1	81%	0.811	83%	0.834	S	S	*	*	P	Polyproline II helix	trans	-65	125.1	173.6	48.9	0	0	0	0	111.2	S25	S23-S25 PolarHBondContact O-N 2.91Å
24	F	26.9	Very low	27.3	Very low	204 Å²	204	149.9 Å²	149.9	90%	0.895	83%	0.831	S	S	*	*			trans	-57.7	112.9	174.1	-89.1	-97.9	0	0	0	111.6	R26	F24-R26 PolarHBondContact O-N 3.02Å
25	S	26.1	Very low	27.1	Very low	109 Å²	109	153.3 Å²	153.3	76%	0.762	84%	0.841	S	S	*	*			trans	-70.5	106.4	166.6	54.6	0	0	0	0	109.7	S23	S23-S25 PolarHBondContact O-N 2.91Å
26	R	28.5	Very low	27.2	Very low	241 Å²	241	153.5 Å²	153.5	91%	0.909	84%	0.836	S	S	*	*			trans	-92.7	124.1	165.7	-95.3	-175.8	179.1	170.3	-0.1	109.7	F24 A28	F24-R26 PolarHBondContact O-N 3.02Å; R26-A28 PolarHBondContact O-N 3.48Å
27	F	26.5	Very low	27.2	Very low	211 Å²	211	153.4 Å²	153.4	93%	0.925	84%	0.84	S	S	*	*			trans	-44.1	117.7	173.9	-71.3	-98.4	0	0	0	112.9
28	A	30.6	Very low	27.3	Very low	101 Å²	101	154.6 Å²	154.6	84%	0.835	84%	0.843	S	S	*	*			trans	-104.9	113.3	162.1	0	0	0	0	0	107.8	R26	R26-A28 PolarHBondContact O-N 3.48Å
29	S	27.6	Very low	27.3	Very low	114 Å²	114	150.8 Å²	150.8	80%	0.797	83%	0.834	S	S	*	*			trans	-63.9	136.7	-178.9	46.2	0	0	0	0	112.6	S31	S29-S31 PolarHBondContact O-N 3.21Å
30	H	25.5	Very low	27.4	Very low	197 Å²	197	147.6 Å²	147.6	91%	0.912	84%	0.835	S	S	*	*			trans	-52.5	114.4	170.9	-73.2	-59.5	0	0	0	112.7
31	S	27.4	Very low	27.5	Very low	112 Å²	112	149.2 Å²	149.2	78%	0.783	84%	0.835	S	S	*	*			trans	-110.6	109.6	156.5	58.9	0	0	0	0	108.3	S29 G33	S29-S31 PolarHBondContact O-N 3.21Å; S31-G33 PolarHBondContact O-N 3.13Å
32	Q	25.3	Very low	27.6	Very low	195 Å²	195	140.6 Å²	140.6	91%	0.911	82%	0.822	S	S	*	*			trans	-64.8	107.7	174.7	-68	177.4	-15.5	0	0	109.1
33	G	27.7	Very low	27.5	Very low	75 Å²	75	147 Å²	147	77%	0.773	83%	0.83	S	S	*	*			trans	-91.8	117.7	170.1	0	0	0	0	0	109.6	S31	S31-G33 PolarHBondContact O-N 3.13Å
34	T	27.4	Very low	27.5	Very low	134 Å²	134	147.7 Å²	147.7	82%	0.822	83%	0.83	S	S	*	*			trans	-66.7	135.5	-179.6	44.9	0	0	0	0	112.6	S36	T34-S36 PolarHBondContact O-N 3.32Å
35	N	24.4	Very low	27.5	Very low	174 Å²	174	150.1 Å²	150.1	93%	0.93	83%	0.833	S	S	*	*			trans	-50.6	115.6	171.7	-73.1	-30.4	0	0	0	112.3
36	S	28.6	Very low	27.6	Very low	108 Å²	108	151.5 Å²	151.5	76%	0.755	84%	0.837	S	S	*	*			trans	-110	108.8	157.6	50.7	0	0	0	0	108.9	T34 V38	T34-S36 PolarHBondContact O-N 3.32Å; S36-V38 PolarHBondContact O-N 3.07Å
37	S	26.1	Very low	27.5	Very low	119 Å²	119	142.6 Å²	142.6	83%	0.832	82%	0.819	S	S	*	*	P	Polyproline II helix	trans	-61.9	118	174	47.3	0	0	0	0	111.1
38	V	29.3	Very low	27.7	Very low	134 Å²	134	139 Å²	139	81%	0.812	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-89.4	129	168.6	178.6	0	0	0	0	108.1	S36	S36-V38 PolarHBondContact O-N 3.07Å
39	P	29.6	Very low	27.5	Very low	107 Å²	107	142.4 Å²	142.4	70%	0.695	82%	0.82	S	S	*	*	P	Polyproline II helix	trans	-80.8	143.1	-171.9	31.2	-32.8	0	0	0	113.2	I41	P39-I41 PolarHBondContact O-N 2.95Å
40	D	26	Very low	27.4	Very low	163 Å²	163	141.9 Å²	141.9	87%	0.872	82%	0.817	S	S	*	*			trans	-68.9	106.1	-177.7	-155.4	2.8	0	0	0	110.9
41	I	31.5	Very low	27.7	Very low	158 Å²	158	138.1 Å²	138.1	81%	0.81	81%	0.81	S	S	*	*			trans	-89.2	110.7	175.8	-66.3	174.7	0	0	0	108.4	P39	P39-I41 PolarHBondContact O-N 2.95Å
42	G	28.1	Very low	27.8	Very low	61 Å²	61	143.4 Å²	143.4	63%	0.629	82%	0.815	S	S	*	*			trans	-57.3	140	-171.7	0	0	0	0	0	115.7	T44	G42-T44 PolarHBondContact O-N 3.19Å
43	R	26.4	Very low	28	Very low	253 Å²	253	139.6 Å²	139.6	96%	0.955	81%	0.806	S	S	*	*			trans	-61.7	106.9	170.7	-72.2	171.8	169.6	166.8	-3.7	111.6
44	T	27.6	Very low	27.9	Very low	132 Å²	132	141.3 Å²	141.3	81%	0.81	81%	0.807	S	S	*	*			trans	-86.6	115.2	163.8	15.7	0	0	0	0	110.2	G42 V46	G42-T44 PolarHBondContact O-N 3.19Å; T44-V46 PolarHBondContact O-N 2.88Å
45	R	26.4	Very low	27.9	Very low	254 Å²	254	141.6 Å²	141.6	96%	0.958	81%	0.808	S	S	*	*			trans	-64.6	117.6	171.5	-84.4	178.4	173.2	175.8	-2.2	109.8
46	V	28	Very low	27.9	Very low	139 Å²	139	142.8 Å²	142.8	84%	0.842	81%	0.805	S	S	*	*			trans	-86.7	115.5	169.6	-176.8	0	0	0	0	108.2	T44	T44-V46 PolarHBondContact O-N 2.88Å
47	G	26.5	Very low	27.8	Very low	53 Å²	53	142 Å²	142	55%	0.546	80%	0.804	S	S	.	*	P	Polyproline II helix	trans	-76.1	161.7	174.2	0	0	0	0	0	112.7
48	P	30.8	Very low	27.8	Very low	136 Å²	136	145.6 Å²	145.6	88%	0.883	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-76.9	135.3	-166.1	30.4	-33.5	0	0	0	113.1
49	L	27	Very low	27.7	Very low	172 Å²	172	146.5 Å²	146.5	90%	0.901	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-70.4	126.3	179.8	-73	152.7	0	0	0	111.5
50	S	25.6	Very low	27.5	Very low	103 Å²	103	150.3 Å²	150.3	72%	0.72	82%	0.815	S	S	*	*	P	Polyproline II helix	trans	-80	147.7	172.5	-175	0	0	0	0	111.1
51	P	32.7	Very low	27.5	Very low	119 Å²	119	149.9 Å²	149.9	77%	0.773	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-86.6	139	-167.8	8.4	10.4	0	0	0	112.9
52	Y	27.8	Very low	27.4	Very low	223 Å²	223	147.7 Å²	147.7	88%	0.875	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-68.1	146.7	178	-79	-92.6	0	0	0	113.1
53	P	30	Very low	27.2	Very low	114 Å²	114	152.8 Å²	152.8	74%	0.74	83%	0.825	S	S	*	*	P	Polyproline II helix	trans	-83.9	141.9	-170.9	33	-33.1	0	0	0	113.3	V55	P53-V55 PolarHBondContact O-N 2.81Å
54	S	25.5	Very low	27.3	Very low	112 Å²	112	146.3 Å²	146.3	78%	0.783	82%	0.819	S	S	*	*	P	Polyproline II helix	trans	-67.8	116.2	176.1	51.3	0	0	0	0	112.5
55	V	27.4	Very low	27.2	Very low	139 Å²	139	148.6 Å²	148.6	84%	0.842	82%	0.82	S	S	*	*			trans	-90.9	115.9	167.6	178.1	0	0	0	0	108.3	P53	P53-V55 PolarHBondContact O-N 2.81Å
56	K	24.1	Very low	27.2	Very low	200 Å²	200	145.6 Å²	145.6	87%	0.87	82%	0.817	S	S	*	*			trans	-81.8	121.7	170.6	-69.8	177.9	174.1	-178.4	0	107.9
57	A	28.1	Very low	27.1	Very low	90 Å²	90	142.7 Å²	142.7	74%	0.744	82%	0.815	S	S	*	*			trans	-116.6	122.8	167.3	0	0	0	0	0	107.7
58	E	26.3	Very low	27.1	Very low	195 Å²	195	146.9 Å²	146.9	91%	0.911	83%	0.825	S	S	*	*			trans	-70.3	138.3	-177.7	-69.8	167.1	157.3	0	0	110.3
59	I	27.1	Very low	26.8	Very low	154 Å²	154	146.6 Å²	146.6	79%	0.79	82%	0.821	S	S	*	*			trans	-97.2	110.7	-178.8	-62.9	169.2	0	0	0	106.2
60	E	25.3	Very low	26.7	Very low	186 Å²	186	144.2 Å²	144.2	87%	0.869	81%	0.814	S	S	*	*			trans	-95.2	117.9	166.6	-78	-173	156.9	0	0	109.5
61	D	26.3	Very low	26.7	Very low	154 Å²	154	147.8 Å²	147.8	82%	0.824	82%	0.819	S	S	*	*			trans	-64.8	123.1	174.5	-77.4	-40.5	0	0	0	110.9
62	S	27.5	Very low	26.4	Very low	113 Å²	113	148.3 Å²	148.3	79%	0.79	82%	0.82	S	S	*	*			trans	-133.9	112.8	157.9	51.5	0	0	0	0	109.8	S64	S62-S64 PolarHBondContact O-N 2.77Å
63	N	24.7	Very low	26.2	Very low	167 Å²	167	145.9 Å²	145.9	89%	0.893	82%	0.816	S	S	*	*			trans	-60.8	123.6	173.1	-74.1	-35.2	0	0	0	110.4
64	S	28.7	Very low	26	Very low	118 Å²	118	146.5 Å²	146.5	83%	0.825	81%	0.813	S	S	*	*			trans	-135.8	111.7	154.3	50.2	0	0	0	0	108.9	S62	S62-S64 PolarHBondContact O-N 2.77Å
65	E	26	Very low	26	Very low	179 Å²	179	147 Å²	147	84%	0.836	81%	0.812	S	S	*	*			trans	-71.5	138.5	177.4	-74.7	174.5	152.7	0	0	111.2
66	E	26.1	Very low	25.8	Very low	191 Å²	191	144.2 Å²	144.2	89%	0.893	80%	0.798	S	S	*	*			trans	58.9	117.1	141.2	-63.2	-172.7	164.3	0	0	120.6
67	G	26.2	Very low	26	Very low	79 Å²	79	138.7 Å²	138.7	81%	0.814	78%	0.783	S	S	*	*			trans	133.9	65.3	142.6	0	0	0	0	0	115.6
68	D	24.9	Very low	26.1	Very low	140 Å²	140	137.9 Å²	137.9	75%	0.749	76%	0.764	S	S	*	*			trans	-144.7	96.6	152.8	-156.1	6.5	0	0	0	110.9	T70	D68-T70 VanDerWaalsContact C-N 3.31Å; D68-T70 PolarHBondContact O-N 2.94Å; D68-T70 PolarHBondContact O-OG1 3.3Å
69	T	25.5	Very low	26.3	Very low	130 Å²	130	131 Å²	131	80%	0.798	73%	0.731	S	S	*	*			trans	-65.6	92	169.2	40.3	0	0	0	0	108.3	E71	T69-E71 PolarHBondContact O-N 3.01Å
70	T	25.8	Very low	26.6	Very low	122 Å²	122	127.9 Å²	127.9	75%	0.748	72%	0.716	S	S	*	*			trans	-64.9	100.1	174.5	-15.4	0	0	0	0	108.5	D68 V72	D68-T70 VanDerWaalsContact C-N 3.31Å; D68-T70 PolarHBondContact O-N 2.94Å; D68-T70 PolarHBondContact O-OG1 3.3Å; T70-V72 PolarHBondContact O-N 3.34Å
71	E	25	Very low	26.8	Very low	178 Å²	178	122.4 Å²	122.4	83%	0.832	69%	0.69	S	S	*	*			trans	-61.4	104	168	-69.4	-168.7	151.4	0	0	107.9	T69 E73	T69-E71 PolarHBondContact O-N 3.01Å; E71-E73 PolarHBondContact O-N 3.42Å
72	V	26.1	Very low	27	Very low	131 Å²	131	117 Å²	117	79%	0.794	67%	0.667	S	S	*	*			trans	-69	101.2	173.8	-177.8	0	0	0	0	106.9	T70 D74	T70-V72 PolarHBondContact O-N 3.34Å; V72-D74 PolarHBondContact O-N 2.62Å; V72-D74 VanDerWaalsContact O-N 3.15Å
73	E	24.4	Very low	27.1	Very low	171 Å²	171	114.1 Å²	114.1	80%	0.799	64%	0.642	S	S	*	*			trans	-52.6	117.4	171.6	-74.5	-175.4	146.8	0	0	109.7	E71 V75	E71-E73 PolarHBondContact O-N 3.42Å; E73-V75 VanDerWaalsContact C-N 3.28Å; E73-V75 PolarHBondContact O-N 3.2Å
74	D	25.5	Very low	27.4	Very low	127 Å²	127	107.6 Å²	107.6	68%	0.679	61%	0.61	S	S	*	*			trans	-63.2	86.2	172.2	-87.5	-44.1	0	0	0	108.8	V72 S76	V72-D74 PolarHBondContact O-N 2.62Å; V72-D74 VanDerWaalsContact O-N 3.15Å; D74-S76 VanDerWaalsContact C-N 3.33Å; D74-S76 PolarHBondContact O-N 3.41Å
75	V	24.7	Very low	27.7	Very low	123 Å²	123	107.6 Å²	107.6	75%	0.745	60%	0.596	S	S	*	*			trans	-67.1	93.3	171.5	-178	0	0	0	0	108.2	E73 P77	E73-V75 VanDerWaalsContact C-N 3.28Å; E73-V75 PolarHBondContact O-N 3.2Å; V75-P77 WeakPolarHBondContact O-CD 3.47Å; V75-P77 VanDerWaalsContact O-N 3.16Å
76	S	24.5	Very low	28.4	Very low	80 Å²	80	100.9 Å²	100.9	56%	0.559	57%	0.572	S	S	*	*			trans	-58.9	106	174.3	173.5	0	0	0	0	110.6	D74 E78	D74-S76 VanDerWaalsContact C-N 3.33Å; D74-S76 PolarHBondContact O-N 3.41Å; S76-E78 PolarHBondContact O-N 2.92Å
77	P	28.1	Very low	29.6	Very low	84 Å²	84	95.7 Å²	95.7	55%	0.545	55%	0.55	S	S	.	.			trans	-84.5	100.7	173.2	5.9	15.3	0	0	0	107	V75 E79	V75-P77 WeakPolarHBondContact O-CD 3.47Å; V75-P77 VanDerWaalsContact O-N 3.16Å; P77-E79 PolarHBondContact O-N 3.45Å
78	E	28.9	Very low	30.9	Very low	74 Å²	74	93.5 Å²	93.5	35%	0.346	52%	0.521	S	S	.	.			trans	-59.1	127.4	178.2	-69.1	163.3	-162.2	0	0	111.8	S76 D80 R994	S76-E78 PolarHBondContact O-N 2.92Å; E78-D80 PolarHBondContact O-N 3.25Å; E78-R994 VanDerWaalsContact OE2-CA 3.25Å; E78-R994 WeakPolarHBondContact OE2-CA 3.33Å
79	E	31.6	Very low	33	Very low	49 Å²	49	88.2 Å²	88.2	23%	0.229	49%	0.491	C	S	.	.			trans	-79.4	89.4	169.6	-70.3	-178.9	163.5	0	0	108.8	P77 F81 M1173 R1178	P77-E79 PolarHBondContact O-N 3.45Å; E79-F81 PolarHBondContact O-N 3.45Å; E79-M1173 HydrophobicContact CG-SD 4.22Å; E79-R1178 IonicContact OE2-CZ 3.79Å; E79-R1178 IonicContact OE2-NH2 3.63Å; E79-R1178 PolarHBondContact OE2-NH2 2.65Å
80	D	33.8	Very low	35.3	Very low	89 Å²	89	83 Å²	83	48%	0.476	46%	0.459	S	S	.	.			trans	-62.7	115.9	170.1	-83.3	-36.9	0	0	0	110.2	E78 A82	E78-D80 PolarHBondContact O-N 3.25Å; D80-A82 VanDerWaalsContact C-N 3.33Å; D80-A82 PolarHBondContact O-N 3.44Å
81	F	29.6	Very low	38	Very low	72 Å²	72	83.5 Å²	83.5	32%	0.316	46%	0.458	S	S	.	.			trans	-68	90.3	168.2	-66.6	-104.7	0	0	0	108.8	E79 L83 L1003 R1040	E79-F81 PolarHBondContact O-N 3.45Å; F81-L83 PolarHBondContact O-N 3.43Å; F81-L1003 HydrophobicContact CD1-CD1 4.47Å; F81-R1040 VanDerWaalsContact CD1-NH2 3.31Å
82	A	29.1	Very low	41	Very low	41 Å²	41	76.5 Å²	76.5	34%	0.339	42%	0.424	S	S	.	.			trans	-91.2	104.3	172.1	0	0	0	0	0	110.2	D80 P1114	D80-A82 VanDerWaalsContact C-N 3.33Å; D80-A82 PolarHBondContact O-N 3.44Å; A82-P1114 HydrophobicContact CB-CB 4.2Å; A82-P1114 HydrophobicContact CB-CG 3.13Å
83	L	29.6	Very low	43.9	Very low	52 Å²	52	73.8 Å²	73.8	27%	0.272	42%	0.415	S	S	.	.			trans	-71.2	127.8	-171.9	-61.4	133.9	0	0	0	111.1	F81 L1003 D1004	F81-L83 PolarHBondContact O-N 3.43Å; L83-L1003 HydrophobicContact CD2-CD1 4.32Å; L83-D1004 HydrophobicContact CD2-CB 4.11Å
84	S	31.3	Very low	47.1	Very low	30 Å²	30	67 Å²	67	21%	0.21	39%	0.386	C	S	.	.			trans	-115.7	162.8	169.3	85.4	0	0	0	0	111.8	A86 L1007	S84-A86 PolarHBondContact O-N 2.91Å; S84-L1007 WeakPolarHBondContact O-CD2 3.5Å
85	H	35.1	Very low	50	Low	117 Å²	117	64 Å²	64	54%	0.542	38%	0.375	S	S	.	.			trans	7	94.8	175	-50.2	-69.1	0	0	0	120.1
86	A	40.8	Very low	53.1	Low	39 Å²	39	60.6 Å²	60.6	32%	0.322	35%	0.35	S	S	.	.			trans	-112.9	129.8	151.7	0	0	0	0	0	109.6	S84 T88 D1004	S84-A86 PolarHBondContact O-N 2.91Å; A86-T88 PolarHBondContact O-N 3.14Å; A86-D1004 HydrophobicContact CB-CB 4.28Å
87	D	50.3	Low	56.2	Low	81 Å²	81	58 Å²	58	43%	0.433	33%	0.329	S	S	.	.			trans	-60.5	106.7	171.2	-57.1	-45	0	0	0	108.4	Y89 S111 R1233	D87-Y89 PolarHBondContact O-N 3.29Å; D87-S111 WeakPolarHBondContact O-CB 3.37Å; D87-R1233 IonicContact OD2-CZ 3.07Å; D87-R1233 IonicContact OD2-NH1 2.63Å; D87-R1233 IonicContact OD2-NH2 2.92Å; D87-R1233 PolarHBondContact OD2-NH2 3.2Å
88	T	55.2	Low	58.9	Low	33 Å²	33	65.8 Å²	65.8	20%	0.202	35%	0.348	C	S	.	.	S	Bend	trans	-69.7	-24.4	-178.9	-47.4	0	0	0	0	112.5	A86 T110 S111 L876	A86-T88 PolarHBondContact O-N 3.14Å; T88-T110 CarbonylContact O-C 3.55Å; T88-T110 WeakPolarHBondContact O-CA 3.22Å; T88-S111 PolarHBondContact O-N 2.83Å; T88-S111 PolarHBondContact O-OG 2.75Å; T88-L876 HydrophobicContact CG2-CD1 4.27Å
89	Y	68.9	Low	61.5	Low	30 Å²	30	65.7 Å²	65.7	12%	0.118	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	158	178	-69.6	-87.5	0	0	0	111.2	D87 V108 E109 T110 Q384 L873 L876	D87-Y89 PolarHBondContact O-N 3.29Å; Y89-V108 HydrophobicContact CD1-CB 4.27Å; Y89-V108 HydrophobicContact CD1-CG2 3.74Å; Y89-V108 HydrophobicContact CE1-CG2 4.45Å; Y89-V108 HydrophobicContact CG-CG2 4.17Å; Y89-E109 CarbonylContact C-O 3.53Å; Y89-E109 VanDerWaalsContact CA-O 3.23Å; Y89-E109 WeakPolarHBondContact CA-O 3.44Å; Y89-T110 HydrophobicContact CD1-CG2 4.26Å; Y89-T110 HydrophobicContact CE1-CG2 3.72Å; Y89-Q384 PolarHBondContact OH-OE1 2.7Å; Y89-Q384 VanDerWaalsContact OH-OE1 3.11Å; Y89-L873 HydrophobicContact CE2-CD2 3.8Å; Y89-L873 WeakPolarHBondContact OH-CD2 3.27Å; Y89-L876 HydrophobicContact CD2-CB 4.02Å; Y89-L876 HydrophobicContact CD2-CD1 3.81Å; Y89-L876 HydrophobicContact CD2-CG 4.36Å; Y89-L876 HydrophobicContact CE2-CD1 3.96Å
90	S	72.9	Confident	64.2	Low	20 Å²	20	64.7 Å²	64.7	14%	0.14	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	143.2	173.2	-65.9	0	0	0	0	109.1	Y92 V108 E109 K1239	S90-Y92 PolarHBondContact O-N 2.94Å; S90-V108 CarbonylContact O-C 3.53Å; S90-V108 VanDerWaalsContact O-CA 3.3Å; S90-V108 WeakPolarHBondContact O-CA 3.29Å; S90-E109 PolarHBondContact N-O 3.18Å; S90-E109 PolarHBondContact O-N 2.81Å; S90-K1239 PolarHBondContact OG-NZ 3.04Å
91	D	82.7	Confident	66.9	Low	133 Å²	133	64.6 Å²	64.6	71%	0.711	36%	0.357	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-55.3	134.2	174.5	-69.3	-25.9	0	0	0	109.9
92	Y	87.5	Confident	69.8	Low	31 Å²	31	66.5 Å²	66.5	12%	0.122	38%	0.377	C	S	.	.			trans	-104.9	126.6	-175	-171.7	-87.6	0	0	0	111	S90 V107 E109 L140 E143 R383	S90-Y92 PolarHBondContact O-N 2.94Å; Y92-V107 PolarHBondContact N-O 3.26Å; Y92-E109 HydrophobicContact CD2-CB 3.59Å; Y92-E109 HydrophobicContact CD2-CG 4.2Å; Y92-E109 WeakPolarHBondContact CD2-OE2 3.33Å; Y92-E109 HydrophobicContact CE2-CB 4.39Å; Y92-E109 WeakPolarHBondContact CE2-OE2 3.44Å; Y92-E109 HydrophobicContact CG-CB 4.29Å; Y92-L140 HydrophobicContact CD1-CD1 3.64Å; Y92-L140 HydrophobicContact CD1-CG 4.27Å; Y92-L140 HydrophobicContact CE1-CD1 4.14Å; Y92-L140 HydrophobicContact CE1-CG 4.27Å; Y92-E143 WeakPolarHBondContact CE1-OE2 3.4Å; Y92-E143 PolarHBondContact OH-OE2 3.16Å; Y92-R383 VanDerWaalsContact CD1-CD 3.49Å; Y92-R383 HydrophobicContact CD1-CG 4.15Å; Y92-R383 HydrophobicContact CD2-CG 4.07Å; Y92-R383 HydrophobicContact CE1-CG 4.26Å; Y92-R383 HydrophobicContact CE2-CG 4.16Å; Y92-R383 HydrophobicContact CG-CG 4.02Å
93	A	88.1	Confident	72.8	Confident	73 Å²	73	65.8 Å²	65.8	60%	0.603	37%	0.367	S	S	*	.			trans	-131.9	141.9	164.3	0	0	0	0	0	108.8	S95	A93-S95 PolarHBondContact O-N 2.86Å; A93-S95 VanDerWaalsContact O-N 3.16Å
94	P	91.4	Very high	75.6	Confident	30 Å²	30	66.6 Å²	66.6	20%	0.195	38%	0.375	C	S	.	.			trans	-52.1	122.8	173.7	-28.3	36.7	0	0	0	111.1	L97 A139 L140 E143	P94-L97 HydrophobicContact CB-CB 4.02Å; P94-A139 HydrophobicContact CG-CB 4.13Å; P94-L140 HydrophobicContact CG-CB 4.47Å; P94-E143 WeakPolarHBondContact CA-OE1 3.39Å; P94-E143 HydrophobicContact CB-CB 4.41Å; P94-E143 HydrophobicContact CB-CG 4.47Å; P94-E143 WeakPolarHBondContact CB-OE1 3.36Å; P94-E143 HydrophobicContact CG-CB 4.42Å
95	S	87.2	Confident	78.3	Confident	64 Å²	64	66 Å²	66	45%	0.448	37%	0.37	S	S	.	.	S	Bend	trans	-88	-24.4	-176.5	59.8	0	0	0	0	112.9	A93	A93-S95 PolarHBondContact O-N 2.86Å; A93-S95 VanDerWaalsContact O-N 3.16Å
96	K	89.1	Confident	80.7	Confident	51 Å²	51	64 Å²	64	22%	0.222	37%	0.367	C	S	.	.	S	Bend	trans	-106.3	-31.1	-176.6	-57.5	-59.2	-178.9	176.8	0	112.9	P118 E120 I121	K96-P118 WeakPolarHBondContact CE-O 3.5Å; K96-P118 HydrophobicContact CG-CG 4.34Å; K96-E120 WeakPolarHBondContact CE-OE1 3.34Å; K96-E120 IonicContact NZ-OE1 2.8Å; K96-E120 PolarHBondContact NZ-OE1 2.83Å; K96-I121 HydrophobicContact CB-CD1 3.82Å; K96-I121 HydrophobicContact CB-CG1 4.07Å
97	L	90	Very high	83	Confident	24 Å²	24	62.5 Å²	62.5	13%	0.126	35%	0.354	C	S	.	.			trans	-91.9	126.7	179.2	-173.9	66.7	0	0	0	110.7	P94 I121 A139 L142 E143 I146	P94-L97 HydrophobicContact CB-CB 4.02Å; L97-I121 HydrophobicContact CB-CD1 3.81Å; L97-I121 HydrophobicContact CD1-CD1 4.3Å; L97-A139 WeakPolarHBondContact CD2-O 3.44Å; L97-L142 HydrophobicContact CD2-CB 3.93Å; L97-L142 HydrophobicContact CD2-CD2 3.95Å; L97-L142 HydrophobicContact CD2-CG 3.79Å; L97-E143 HydrophobicContact CB-CB 4.45Å; L97-E143 HydrophobicContact CD2-CB 3.95Å; L97-I146 HydrophobicContact CD1-CD1 3.7Å; L97-I146 HydrophobicContact CD2-CD1 4.11Å
98	R	83.9	Confident	84.7	Confident	249 Å²	249	58.9 Å²	58.9	94%	0.94	33%	0.334	S	S	*	.			trans	-105	-3.2	178	-61.8	-176.6	-177.9	-178.7	0.8	114
99	S	84.4	Confident	86.1	Confident	71 Å²	71	57.6 Å²	57.6	50%	0.497	33%	0.326	S	S	.	.			trans	-102.2	152.6	-174.5	-52.1	0	0	0	0	112	A139	S99-A139 WeakPolarHBondContact O-CB 3.45Å
100	G	86.8	Confident	86.4	Confident	28 Å²	28	58 Å²	58	29%	0.289	33%	0.331	S	S	.	.	S	Bend	trans	90.9	159.9	179.7	0	0	0	0	0	113.7
101	L	91.8	Very high	86.1	Confident	88 Å²	88	57.6 Å²	57.6	46%	0.461	33%	0.329	S	S	.	.	P	Polyproline II helix	trans	-75.5	149.4	178.6	-65.9	-176.2	0	0	0	111.8	S138 A139	L101-S138 CarbonylContact O-C 3.57Å; L101-S138 WeakPolarHBondContact O-CA 3.49Å; L101-A139 PolarHBondContact O-N 3.05Å
102	P	91	Very high	85.6	Confident	112 Å²	112	51.3 Å²	51.3	73%	0.727	30%	0.295	S	S	*	.	P	Polyproline II helix	trans	-53.7	151.9	171.5	-24.2	33.8	0	0	0	111.8
103	H	91.3	Very high	85.2	Confident	26 Å²	26	50.3 Å²	50.3	12%	0.12	29%	0.292	C	S	.	.	P	Polyproline II helix	trans	-60.4	138.7	173.1	-172.1	-86.3	0	0	0	109.9	D105 V107 S138 L140 V172	H103-D105 PolarHBondContact ND1-N 3.15Å; H103-D105 PolarHBondContact ND1-O 2.88Å; H103-D105 PolarHBondContact O-N 3.36Å; H103-D105 VanDerWaalsContact O-N 3.15Å; H103-V107 HydrophobicContact CB-CG2 4.4Å; H103-V107 WeakPolarHBondContact ND1-CG2 3.4Å; H103-S138 PolarHBondContact CD2-OG 3.29Å; H103-L140 HydrophobicContact CB-CB 4.46Å; H103-V172 PolarHBondContact NE2-O 3.1Å
104	P	87.7	Confident	84.8	Confident	69 Å²	69	49 Å²	49	45%	0.448	28%	0.277	S	S	.	.	S	Bend	trans	-64.8	-20.4	-172.1	23.9	-35.8	0	0	0	114.5
105	D	87.6	Confident	84.2	Confident	18 Å²	18	49 Å²	49	10%	0.096	28%	0.278	C	S	.	.	S	Bend	trans	-125.4	152.3	178.5	-57.4	-93.3	0	0	0	110	H103 V107 L385 S841 N842	H103-D105 PolarHBondContact ND1-N 3.15Å; H103-D105 PolarHBondContact ND1-O 2.88Å; H103-D105 PolarHBondContact O-N 3.36Å; H103-D105 VanDerWaalsContact O-N 3.15Å; D105-V107 PolarHBondContact O-N 3.17Å; D105-L385 HydrophobicContact CB-CD1 3.6Å; D105-S841 WeakPolarHBondContact OD2-CA 3.42Å; D105-S841 WeakPolarHBondContact OD2-CB 3.47Å; D105-N842 PolarHBondContact OD2-N 3.43Å
106	P	85.8	Confident	83.8	Confident	75 Å²	75	46.7 Å²	46.7	49%	0.487	26%	0.261	S	S	.	.			trans	-61.7	134.3	176.6	-17.9	30.5	0	0	0	111	S386	P106-S386 WeakPolarHBondContact O-CB 3.36Å; P106-S386 PolarHBondContact O-N 3.44Å
107	V	89	Confident	83.6	Confident	7 Å²	7	49.6 Å²	49.6	4%	0.042	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	138.7	178.8	176	0	0	0	0	107.8	Y92 H103 D105 L140 R383 Q384 L385	Y92-V107 PolarHBondContact N-O 3.26Å; H103-V107 HydrophobicContact CB-CG2 4.4Å; H103-V107 WeakPolarHBondContact ND1-CG2 3.4Å; D105-V107 PolarHBondContact O-N 3.17Å; V107-L140 HydrophobicContact CB-CD1 3.8Å; V107-L140 HydrophobicContact CG1-CD1 3.6Å; V107-L140 HydrophobicContact CG2-CD1 4.09Å; V107-R383 HydrophobicContact CG1-CB 3.61Å; V107-Q384 WeakPolarHBondContact CA-O 3.5Å; V107-Q384 WeakPolarHBondContact CG1-O 3.41Å; V107-L385 HydrophobicContact CG2-CD1 4.39Å
108	V	86.4	Confident	83.6	Confident	5 Å²	5	48.7 Å²	48.7	3%	0.03	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	156.2	-178	-61.8	0	0	0	0	111.1	Y89 S90 R383 Q384 T877	Y89-V108 HydrophobicContact CD1-CB 4.27Å; Y89-V108 HydrophobicContact CD1-CG2 3.74Å; Y89-V108 HydrophobicContact CE1-CG2 4.45Å; Y89-V108 HydrophobicContact CG-CG2 4.17Å; S90-V108 CarbonylContact O-C 3.53Å; S90-V108 VanDerWaalsContact O-CA 3.3Å; S90-V108 WeakPolarHBondContact O-CA 3.29Å; V108-R383 CarbonylContact O-C 3.58Å; V108-R383 WeakPolarHBondContact O-CA 3.25Å; V108-Q384 HydrophobicContact CG2-CB 4.32Å; V108-Q384 WeakPolarHBondContact CG2-O 3.28Å; V108-Q384 PolarHBondContact N-O 2.84Å; V108-Q384 PolarHBondContact O-N 3.36Å; V108-T877 HydrophobicContact CG2-CG2 4.46Å
109	E	83.9	Confident	83.9	Confident	5 Å²	5	38.6 Å²	38.6	2%	0.023	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	153.6	172.1	-178.9	177.3	-129	0	0	109.4	Y89 S90 Y92 L113 T114 K375	Y89-E109 CarbonylContact C-O 3.53Å; Y89-E109 VanDerWaalsContact CA-O 3.23Å; Y89-E109 WeakPolarHBondContact CA-O 3.44Å; S90-E109 PolarHBondContact N-O 3.18Å; S90-E109 PolarHBondContact O-N 2.81Å; Y92-E109 HydrophobicContact CD2-CB 3.59Å; Y92-E109 HydrophobicContact CD2-CG 4.2Å; Y92-E109 WeakPolarHBondContact CD2-OE2 3.33Å; Y92-E109 HydrophobicContact CE2-CB 4.39Å; Y92-E109 WeakPolarHBondContact CE2-OE2 3.44Å; Y92-E109 HydrophobicContact CG-CB 4.29Å; E109-L113 HydrophobicContact CG-CB 3.57Å; E109-L113 HydrophobicContact CG-CD1 4.26Å; E109-L113 WeakPolarHBondContact OE1-CB 3.21Å; E109-T114 WeakPolarHBondContact OE2-CA 3.46Å; E109-T114 PolarHBondContact OE2-N 2.92Å; E109-K375 WeakPolarHBondContact OE1-CE 3.27Å; E109-K375 IonicContact OE1-NZ 3.7Å; E109-K375 PolarHBondContact OE1-NZ 3.48Å; E109-K375 IonicContact OE2-NZ 2.76Å; E109-K375 PolarHBondContact OE2-NZ 3.37Å
110	T	75.1	Confident	84.2	Confident	38 Å²	38	41.1 Å²	41.1	23%	0.233	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.4	149.1	175.6	65.9	0	0	0	0	110.7	T88 Y89 S112 L113 T114	T88-T110 CarbonylContact O-C 3.55Å; T88-T110 WeakPolarHBondContact O-CA 3.22Å; Y89-T110 HydrophobicContact CD1-CG2 4.26Å; Y89-T110 HydrophobicContact CE1-CG2 3.72Å; T110-S112 PolarHBondContact O-N 3.13Å; T110-L113 PolarHBondContact O-N 2.88Å; T110-L113 PolarHBondContact OG1-N 2.93Å; T110-T114 WeakPolarHBondContact O-CB 3.05Å; T110-T114 PolarHBondContact O-N 3.3Å; T110-T114 PolarHBondContact O-OG1 2.99Å
111	S	68.6	Low	84.4	Confident	12 Å²	12	42 Å²	42	8%	0.084	24%	0.239	C	C	.	.	H	α-helix	trans	-57.6	-35.3	180	56.5	0	0	0	0	112.9	D87 T88 T114 S115 R1231	D87-S111 WeakPolarHBondContact O-CB 3.37Å; T88-S111 PolarHBondContact O-N 2.83Å; T88-S111 PolarHBondContact O-OG 2.75Å; S111-T114 PolarHBondContact O-N 3.21Å; S111-S115 PolarHBondContact O-N 2.91Å; S111-R1231 PolarHBondContact OG-NH1 2.77Å
112	S	71.3	Confident	84.5	Confident	1 Å²	1	44.4 Å²	44.4	1%	0.007	24%	0.242	C	C	.	.	H	α-helix	trans	-68.8	-44.8	178.5	-49.8	0	0	0	0	112.7	T110 T114 S115 E368 R1231	T110-S112 PolarHBondContact O-N 3.13Å; S112-T114 VanDerWaalsContact C-N 3.32Å; S112-T114 PolarHBondContact O-N 3.06Å; S112-S115 WeakPolarHBondContact O-CB 3.26Å; S112-S115 PolarHBondContact O-N 3.22Å; S112-S115 PolarHBondContact O-OG 2.92Å; S112-E368 VanDerWaalsContact CB-CD 3.5Å; S112-E368 WeakPolarHBondContact CB-OE1 3.39Å; S112-E368 PolarHBondContact OG-OE1 2.88Å; S112-R1231 VanDerWaalsContact OG-CD 3.32Å; S112-R1231 WeakPolarHBondContact OG-CD 3.43Å
113	L	79.6	Confident	84.6	Confident	10 Å²	10	40.2 Å²	40.2	5%	0.052	21%	0.212	C	C	.	.	H	α-helix	trans	-67.4	-34.9	173.3	-73.8	173	0	0	0	111.6	E109 T110 S115 V116 A371 K375 Y380 A382	E109-L113 HydrophobicContact CG-CB 3.57Å; E109-L113 HydrophobicContact CG-CD1 4.26Å; E109-L113 WeakPolarHBondContact OE1-CB 3.21Å; T110-L113 PolarHBondContact O-N 2.88Å; T110-L113 PolarHBondContact OG1-N 2.93Å; L113-S115 PolarHBondContact O-N 2.82Å; L113-V116 WeakPolarHBondContact O-CG2 3.38Å; L113-V116 PolarHBondContact O-N 3.06Å; L113-A371 HydrophobicContact CD2-CB 4.14Å; L113-K375 HydrophobicContact CB-CD 4.25Å; L113-K375 HydrophobicContact CD2-CB 4.13Å; L113-K375 HydrophobicContact CD2-CD 4.03Å; L113-K375 PolarHBondContact O-NZ 3.47Å; L113-Y380 HydrophobicContact CD1-CE1 4.33Å; L113-Y380 HydrophobicContact CD2-CE1 4.44Å; L113-A382 HydrophobicContact CD1-CB 4.03Å
114	T	79.9	Confident	84.7	Confident	46 Å²	46	47 Å²	47	28%	0.282	24%	0.243	S	C	.	.	H	α-helix	trans	-61.9	-27.4	178.2	-53	0	0	0	0	112.3	E109 T110 S111 S112 V116	E109-T114 WeakPolarHBondContact OE2-CA 3.46Å; E109-T114 PolarHBondContact OE2-N 2.92Å; T110-T114 WeakPolarHBondContact O-CB 3.05Å; T110-T114 PolarHBondContact O-N 3.3Å; T110-T114 PolarHBondContact O-OG1 2.99Å; S111-T114 PolarHBondContact O-N 3.21Å; S112-T114 VanDerWaalsContact C-N 3.32Å; S112-T114 PolarHBondContact O-N 3.06Å; T114-V116 PolarHBondContact O-N 2.82Å
115	S	77.1	Confident	85	Confident	31 Å²	31	45.8 Å²	45.8	22%	0.217	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-18.3	-179.6	76.3	0	0	0	0	114.4	S111 S112 L113 M372 V1241	S111-S115 PolarHBondContact O-N 2.91Å; S112-S115 WeakPolarHBondContact O-CB 3.26Å; S112-S115 PolarHBondContact O-N 3.22Å; S112-S115 PolarHBondContact O-OG 2.92Å; L113-S115 PolarHBondContact O-N 2.82Å; S115-M372 WeakPolarHBondContact OG-CE 3.17Å; S115-V1241 WeakPolarHBondContact OG-CB 3.4Å
116	V	79.8	Confident	85.3	Confident	15 Å²	15	47.5 Å²	47.5	9%	0.091	25%	0.246	C	C	.	.	S	Bend	trans	-117.9	139	178.8	-69.9	0	0	0	0	110.6	L113 T114 M372 K375 L376	L113-V116 WeakPolarHBondContact O-CG2 3.38Å; L113-V116 PolarHBondContact O-N 3.06Å; T114-V116 PolarHBondContact O-N 2.82Å; V116-M372 HydrophobicContact CG1-CB 4.42Å; V116-M372 HydrophobicContact CG1-CE 3.73Å; V116-M372 HydrophobicContact CG2-CB 3.95Å; V116-M372 HydrophobicContact CG2-CG 4.1Å; V116-K375 HydrophobicContact CG2-CB 4.35Å; V116-K375 HydrophobicContact CG2-CD 4.06Å; V116-K375 HydrophobicContact CG2-CG 4.32Å; V116-K375 WeakPolarHBondContact O-CE 3.37Å; V116-K375 PolarHBondContact O-NZ 3.32Å; V116-L376 HydrophobicContact CB-CD1 4.41Å; V116-L376 HydrophobicContact CB-CD2 3.76Å; V116-L376 HydrophobicContact CB-CG 3.82Å; V116-L376 HydrophobicContact CG1-CD1 3.96Å; V116-L376 HydrophobicContact CG1-CD2 3.98Å; V116-L376 HydrophobicContact CG1-CG 3.93Å; V116-L376 HydrophobicContact CG2-CG 4.36Å
117	Q	85.6	Confident	85.7	Confident	111 Å²	111	44.2 Å²	44.2	52%	0.519	22%	0.224	S	C	.	.	P	Polyproline II helix	trans	-94.2	144.1	175	-67.6	-173.9	1.3	0	0	110.4
118	P	89.5	Confident	85.9	Confident	5 Å²	5	45.9 Å²	45.9	3%	0.032	24%	0.235	C	C	.	.	P	Polyproline II helix	trans	-66.7	164.3	170.6	33.1	-36.3	0	0	0	110.9	K96 Y147	K96-P118 WeakPolarHBondContact CE-O 3.5Å; K96-P118 HydrophobicContact CG-CG 4.34Å; P118-Y147 HydrophobicContact CB-CE1 4.21Å; P118-Y147 HydrophobicContact CB-CE2 3.75Å; P118-Y147 WeakPolarHBondContact CB-OH 3.48Å; P118-Y147 HydrophobicContact CG-CE2 3.86Å; P118-Y147 VanDerWaalsContact CG-OH 3.25Å; P118-Y147 WeakPolarHBondContact CG-OH 3.4Å
119	P	89.1	Confident	86.1	Confident	37 Å²	37	52.8 Å²	52.8	24%	0.24	27%	0.267	C	S	.	.	P	Polyproline II helix	trans	-67.1	165	-176.8	28.1	-33.4	0	0	0	111.6	Y147 L376	P119-Y147 HydrophobicContact CG-CD1 4.39Å; P119-Y147 HydrophobicContact CG-CE1 3.92Å; P119-Y147 VanDerWaalsContact O-CE1 3.28Å; P119-Y147 WeakPolarHBondContact O-CE1 3.29Å; P119-Y147 PolarHBondContact O-OH 3.37Å; P119-L376 WeakPolarHBondContact CD-O 3.43Å
120	E	91.5	Very high	86.4	Confident	125 Å²	125	57.7 Å²	57.7	58%	0.584	29%	0.29	S	S	*	.	P	Polyproline II helix	trans	-59.4	144	175.5	-63.8	-57.1	146.7	0	0	111.5	K96 Q150	K96-E120 WeakPolarHBondContact CE-OE1 3.34Å; K96-E120 IonicContact NZ-OE1 2.8Å; K96-E120 PolarHBondContact NZ-OE1 2.83Å; E120-Q150 PolarHBondContact O-NE2 2.74Å
121	I	91.4	Very high	87.2	Confident	46 Å²	46	55.9 Å²	55.9	24%	0.236	28%	0.279	C	S	.	.	P	Polyproline II helix	trans	-86	121.3	178.1	-66.6	172.7	0	0	0	108.4	K96 L97 I146 Y147	K96-I121 HydrophobicContact CB-CD1 3.82Å; K96-I121 HydrophobicContact CB-CG1 4.07Å; L97-I121 HydrophobicContact CB-CD1 3.81Å; L97-I121 HydrophobicContact CD1-CD1 4.3Å; I121-I146 HydrophobicContact CB-CG2 4.4Å; I121-I146 HydrophobicContact CD1-CG2 4.31Å; I121-I146 HydrophobicContact CG1-CG2 4.16Å; I121-I146 HydrophobicContact CG2-CG2 3.49Å; I121-I146 VanDerWaalsContact CG2-CG2 3.49Å; I121-Y147 HydrophobicContact CG1-CE1 4Å
122	W	93	Very high	88.3	Confident	139 Å²	139	56.1 Å²	56.1	53%	0.527	28%	0.279	S	S	.	.			trans	-123.3	-12.4	172	54.5	-100.1	0	0	0	112.7	Q150 E153	W122-Q150 HydrophobicContact CD2-CG 3.91Å; W122-Q150 HydrophobicContact CE3-CG 4.37Å; W122-Q150 VanDerWaalsContact CG-OE1 3.31Å; W122-Q150 HydrophobicContact CH2-CG 3.78Å; W122-Q150 HydrophobicContact CZ2-CB 4.46Å; W122-Q150 HydrophobicContact CZ2-CG 3.22Å; W122-Q150 HydrophobicContact CZ3-CG 4.31Å; W122-E153 HydrophobicContact CH2-CB 3.93Å; W122-E153 HydrophobicContact CH2-CG 4.34Å
123	Y	94.1	Very high	89.1	Confident	24 Å²	24	61.1 Å²	61.1	9%	0.094	31%	0.305	C	S	.	.	P	Polyproline II helix	trans	-74	127.5	176.8	-174.2	-91.1	0	0	0	111.5	C149 E153 E184 L188	Y123-C149 HydrophobicContact CD1-CB 3.79Å; Y123-C149 HydrophobicContact CD2-CB 4.14Å; Y123-C149 HydrophobicContact CE1-CB 3.36Å; Y123-C149 HydrophobicContact CE2-CB 3.77Å; Y123-C149 HydrophobicContact CG-CB 4.16Å; Y123-E153 HydrophobicContact CD2-CG 4.38Å; Y123-E153 HydrophobicContact CE2-CG 4.3Å; Y123-E184 HydrophobicContact CE1-CG 4.44Å; Y123-E184 PolarHBondContact OH-OE1 3.26Å; Y123-L188 WeakPolarHBondContact OH-CD1 3.25Å
124	H	92.4	Very high	89.6	Confident	168 Å²	168	64.9 Å²	64.9	78%	0.778	33%	0.329	S	S	*	.	P	Polyproline II helix	trans	-96.9	127.1	175.4	-63.9	-71.4	0	0	0	110.4
125	I	94	Very high	90	Very high	43 Å²	43	64 Å²	64	22%	0.221	33%	0.329	C	S	.	.	P	Polyproline II helix	trans	-86.6	145.2	-177.1	-157.2	169.5	0	0	0	111.7	I127 I132 L142 I145 E184	I125-I127 HydrophobicContact CD1-CB 3.99Å; I125-I127 HydrophobicContact CD1-CD1 3.59Å; I125-I127 HydrophobicContact CD1-CG1 3.74Å; I125-I127 HydrophobicContact CG1-CB 4.04Å; I125-I127 HydrophobicContact CG1-CD1 4.27Å; I125-I127 HydrophobicContact CG1-CG1 3.88Å; I125-I132 HydrophobicContact CG2-CD1 4.23Å; I125-L142 HydrophobicContact CD1-CD1 3.38Å; I125-I145 HydrophobicContact CD1-CG2 3.88Å; I125-E184 HydrophobicContact CG1-CG 4.26Å; I125-E184 VanDerWaalsContact CG1-OE2 3.23Å; I125-E184 WeakPolarHBondContact CG1-OE2 3.33Å
126	S	95	Very high	90.7	Very high	55 Å²	55	67.4 Å²	67.4	39%	0.385	34%	0.337	S	S	.	.			trans	-97.4	-10.4	177.3	-43.4	0	0	0	0	113.3	E184 L188	S126-E184 WeakPolarHBondContact CA-OE2 3.45Å; S126-E184 VanDerWaalsContact CB-OE1 3.26Å; S126-E184 WeakPolarHBondContact CB-OE1 3.46Å; S126-E184 WeakPolarHBondContact CB-OE2 3.23Å; S126-E184 VanDerWaalsContact N-CD 3.26Å; S126-E184 PolarHBondContact N-OE1 3.45Å; S126-E184 PolarHBondContact N-OE2 3.47Å; S126-E184 PolarHBondContact OG-OE1 3.41Å; S126-L188 WeakPolarHBondContact OG-CD2 3.5Å
127	I	94.5	Very high	91.3	Very high	6 Å²	6	66.7 Å²	66.7	3%	0.031	33%	0.333	C	S	.	.	S	Bend	trans	-52.9	128.9	174	-64.6	-175.2	0	0	0	109.3	I125 V131 I132 L137 Y183 E184 L187	I125-I127 HydrophobicContact CD1-CB 3.99Å; I125-I127 HydrophobicContact CD1-CD1 3.59Å; I125-I127 HydrophobicContact CD1-CG1 3.74Å; I125-I127 HydrophobicContact CG1-CB 4.04Å; I125-I127 HydrophobicContact CG1-CD1 4.27Å; I125-I127 HydrophobicContact CG1-CG1 3.88Å; I127-V131 HydrophobicContact CG2-CB 3.87Å; I127-V131 HydrophobicContact CG2-CG1 3.92Å; I127-V131 HydrophobicContact CG2-CG2 4.36Å; I127-I132 HydrophobicContact CG2-CG1 4.47Å; I127-L137 HydrophobicContact CD1-CD1 3.84Å; I127-Y183 HydrophobicContact CD1-CD1 4.32Å; I127-Y183 HydrophobicContact CG1-CD1 4.18Å; I127-Y183 HydrophobicContact CG2-CD1 4.38Å; I127-Y183 HydrophobicContact CG2-CE1 4.24Å; I127-E184 HydrophobicContact CD1-CB 4.44Å; I127-E184 HydrophobicContact CG1-CB 4.25Å; I127-E184 WeakPolarHBondContact CG1-OE2 3.48Å; I127-E184 PolarHBondContact N-OE2 2.99Å; I127-L187 HydrophobicContact CG1-CD1 4.39Å
128	P	92.9	Very high	91.7	Very high	41 Å²	41	61.6 Å²	61.6	27%	0.266	31%	0.309	S	S	.	.			trans	-57.9	140	-177.5	-26.6	34.8	0	0	0	113.6	H130 V131	P128-H130 VanDerWaalsContact C-N 3.26Å; P128-H130 VanDerWaalsContact CB-CE1 3.47Å; P128-H130 WeakPolarHBondContact CB-CE1 3.47Å; P128-H130 VanDerWaalsContact CB-ND1 3.33Å; P128-H130 WeakPolarHBondContact CB-ND1 3.37Å; P128-H130 PolarHBondContact O-N 3.33Å; P128-V131 HydrophobicContact CB-CG2 4.35Å; P128-V131 WeakPolarHBondContact O-CB 3.39Å; P128-V131 PolarHBondContact O-N 3.39Å
129	E	90.5	Very high	91.9	Very high	150 Å²	150	61.8 Å²	61.8	70%	0.701	31%	0.312	S	S	*	.	H	α-helix	trans	-53.8	-40.6	-179	-66.9	179.4	171	0	0	112.7	V131 I132 D133	E129-V131 PolarHBondContact O-N 3.25Å; E129-I132 CarbonylContact O-C 3.57Å; E129-I132 WeakPolarHBondContact O-CA 3.3Å; E129-I132 WeakPolarHBondContact O-CB 3.3Å; E129-I132 PolarHBondContact O-N 3.02Å; E129-D133 VanDerWaalsContact O-CG 3.32Å; E129-D133 PolarHBondContact O-N 3.15Å
130	H	90.5	Very high	92.1	Very high	109 Å²	109	60.2 Å²	60.2	51%	0.505	30%	0.301	S	S	.	.	H	α-helix	trans	-58	-28.1	178.1	79.6	-88.8	0	0	0	113.8	P128 T134	P128-H130 VanDerWaalsContact C-N 3.26Å; P128-H130 VanDerWaalsContact CB-CE1 3.47Å; P128-H130 WeakPolarHBondContact CB-CE1 3.47Å; P128-H130 VanDerWaalsContact CB-ND1 3.33Å; P128-H130 WeakPolarHBondContact CB-ND1 3.37Å; P128-H130 PolarHBondContact O-N 3.33Å; H130-T134 WeakPolarHBondContact O-CB 3.27Å; H130-T134 WeakPolarHBondContact O-CG2 3.15Å; H130-T134 PolarHBondContact O-N 3.03Å; H130-T134 PolarHBondContact O-OG1 3.04Å
131	V	90.7	Very high	92.3	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-71.3	-36.4	175.8	177.1	0	0	0	0	110.4	I127 P128 E129 R136 L137 Y183 V213	I127-V131 HydrophobicContact CG2-CB 3.87Å; I127-V131 HydrophobicContact CG2-CG1 3.92Å; I127-V131 HydrophobicContact CG2-CG2 4.36Å; P128-V131 HydrophobicContact CB-CG2 4.35Å; P128-V131 WeakPolarHBondContact O-CB 3.39Å; P128-V131 PolarHBondContact O-N 3.39Å; E129-V131 PolarHBondContact O-N 3.25Å; V131-R136 HydrophobicContact CG1-CB 3.86Å; V131-R136 WeakPolarHBondContact O-CB 3.29Å; V131-R136 PolarHBondContact O-N 2.78Å; V131-R136 VanDerWaalsContact O-N 3.15Å; V131-L137 HydrophobicContact CG1-CD1 4.37Å; V131-Y183 HydrophobicContact CG2-CE1 4.5Å; V131-V213 VanDerWaalsContact CG1-O 3.31Å; V131-V213 WeakPolarHBondContact CG1-O 3.45Å
132	I	91.3	Very high	92.5	Very high	16 Å²	16	52.5 Å²	52.5	8%	0.082	26%	0.264	C	S	.	.	H	α-helix	trans	-75.7	-48.8	179.6	-60.4	172.1	0	0	0	109.9	I125 I127 E129 T134 G135 L142	I125-I132 HydrophobicContact CG2-CD1 4.23Å; I127-I132 HydrophobicContact CG2-CG1 4.47Å; E129-I132 CarbonylContact O-C 3.57Å; E129-I132 WeakPolarHBondContact O-CA 3.3Å; E129-I132 WeakPolarHBondContact O-CB 3.3Å; E129-I132 PolarHBondContact O-N 3.02Å; I132-T134 VanDerWaalsContact C-N 3.33Å; I132-T134 PolarHBondContact O-N 3.45Å; I132-G135 PolarHBondContact O-N 3.37Å; I132-L142 HydrophobicContact CD1-CD1 4.36Å; I132-L142 HydrophobicContact CD1-CD2 4.02Å; I132-L142 HydrophobicContact CG1-CD2 4.19Å; I132-L142 HydrophobicContact CG2-CD2 3.86Å
133	D	89.8	Confident	92.6	Very high	107 Å²	107	45.9 Å²	45.9	57%	0.572	24%	0.239	S	C	*	.	H	α-helix	trans	-68.3	-32	-174.9	-63.4	-23	0	0	0	112.7	E129 G135	E129-D133 VanDerWaalsContact O-CG 3.32Å; E129-D133 PolarHBondContact O-N 3.15Å; D133-G135 PolarHBondContact O-N 3.06Å
134	T	89.4	Confident	92.7	Very high	89 Å²	89	44.8 Å²	44.8	55%	0.546	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81	-0.3	174.2	59.4	0	0	0	0	113.3	H130 I132 R136	H130-T134 WeakPolarHBondContact O-CB 3.27Å; H130-T134 WeakPolarHBondContact O-CG2 3.15Å; H130-T134 PolarHBondContact O-N 3.03Å; H130-T134 PolarHBondContact O-OG1 3.04Å; I132-T134 VanDerWaalsContact C-N 3.33Å; I132-T134 PolarHBondContact O-N 3.45Å; T134-R136 VanDerWaalsContact C-N 3.3Å; T134-R136 PolarHBondContact O-N 2.77Å
135	G	88.2	Confident	92.9	Very high	28 Å²	28	36.8 Å²	36.8	29%	0.289	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	69.9	21	177.8	0	0	0	0	0	114.8	I132 D133 L137	I132-G135 PolarHBondContact O-N 3.37Å; D133-G135 PolarHBondContact O-N 3.06Å; G135-L137 PolarHBondContact O-N 3.07Å
136	R	91	Very high	93	Very high	101 Å²	101	35 Å²	35	38%	0.381	19%	0.189	S	C	.	.	S	Bend	trans	-61.4	-31.9	173	-68.4	-177.6	-178.1	-133.5	5.8	111.6	V131 T134 D212	V131-R136 HydrophobicContact CG1-CB 3.86Å; V131-R136 WeakPolarHBondContact O-CB 3.29Å; V131-R136 PolarHBondContact O-N 2.78Å; V131-R136 VanDerWaalsContact O-N 3.15Å; T134-R136 VanDerWaalsContact C-N 3.3Å; T134-R136 PolarHBondContact O-N 2.77Å; R136-D212 WeakPolarHBondContact CB-O 3.31Å; R136-D212 WeakPolarHBondContact CD-O 3.38Å; R136-D212 WeakPolarHBondContact CG-O 3.45Å
137	L	93.5	Very high	93.1	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	17%	0.171	C	C	.	.	S	Bend	trans	-116.7	124.8	163.9	-72.1	166.7	0	0	0	108.2	I127 V131 G135 Q141 I145 V213	I127-L137 HydrophobicContact CD1-CD1 3.84Å; V131-L137 HydrophobicContact CG1-CD1 4.37Å; G135-L137 PolarHBondContact O-N 3.07Å; L137-Q141 HydrophobicContact CD2-CB 4.16Å; L137-I145 HydrophobicContact CD1-CD1 3.67Å; L137-I145 HydrophobicContact CD2-CD1 3.82Å; L137-I145 HydrophobicContact CG-CD1 4.34Å; L137-V213 HydrophobicContact CD2-CB 4.46Å; L137-V213 HydrophobicContact CD2-CG1 3.63Å; L137-V213 HydrophobicContact CG-CB 4.36Å; L137-V213 HydrophobicContact CG-CG1 3.99Å
138	S	93.7	Very high	93.2	Very high	4 Å²	4	32.1 Å²	32.1	3%	0.028	17%	0.169	C	C	.	.			trans	-69.6	157.8	170.6	61	0	0	0	0	111.1	L101 H103 L140 Q141 L142	L101-S138 CarbonylContact O-C 3.57Å; L101-S138 WeakPolarHBondContact O-CA 3.49Å; H103-S138 PolarHBondContact CD2-OG 3.29Å; S138-L140 PolarHBondContact O-N 2.88Å; S138-L140 VanDerWaalsContact O-N 3.15Å; S138-Q141 PolarHBondContact O-N 3.34Å; S138-Q141 VanDerWaalsContact OG-CD 3.27Å; S138-Q141 VanDerWaalsContact OG-CG 3.31Å; S138-Q141 WeakPolarHBondContact OG-CG 3.37Å; S138-Q141 PolarHBondContact OG-N 2.93Å; S138-Q141 PolarHBondContact OG-OE1 3.01Å; S138-Q141 VanDerWaalsContact OG-OE1 3.11Å; S138-L142 WeakPolarHBondContact O-CB 3.43Å; S138-L142 PolarHBondContact O-N 3.23Å
139	A	94.2	Very high	93.5	Very high	10 Å²	10	30.2 Å²	30.2	8%	0.083	16%	0.157	C	C	.	.	H	α-helix	trans	-51.9	-38.3	175.6	0	0	0	0	0	112.2	P94 L97 S99 L101 L142 E143	P94-A139 HydrophobicContact CG-CB 4.13Å; L97-A139 WeakPolarHBondContact CD2-O 3.44Å; S99-A139 WeakPolarHBondContact O-CB 3.45Å; L101-A139 PolarHBondContact O-N 3.05Å; A139-L142 PolarHBondContact O-N 3.29Å; A139-E143 WeakPolarHBondContact O-CB 3.42Å; A139-E143 PolarHBondContact O-N 3.19Å
140	L	93.2	Very high	93.7	Very high	4 Å²	4	23.2 Å²	23.2	2%	0.021	12%	0.124	C	C	.	.	H	α-helix	trans	-64.2	-42	177.8	-176.7	150.7	0	0	0	113.1	Y92 P94 H103 V107 S138 T144 V172 R383	Y92-L140 HydrophobicContact CD1-CD1 3.64Å; Y92-L140 HydrophobicContact CD1-CG 4.27Å; Y92-L140 HydrophobicContact CE1-CD1 4.14Å; Y92-L140 HydrophobicContact CE1-CG 4.27Å; P94-L140 HydrophobicContact CG-CB 4.47Å; H103-L140 HydrophobicContact CB-CB 4.46Å; V107-L140 HydrophobicContact CB-CD1 3.8Å; V107-L140 HydrophobicContact CG1-CD1 3.6Å; V107-L140 HydrophobicContact CG2-CD1 4.09Å; S138-L140 PolarHBondContact O-N 2.88Å; S138-L140 VanDerWaalsContact O-N 3.15Å; L140-T144 PolarHBondContact O-N 3.18Å; L140-T144 PolarHBondContact O-OG1 3.26Å; L140-V172 HydrophobicContact CD2-CG1 3.83Å; L140-R383 VanDerWaalsContact CD2-NH2 3.29Å; L140-R383 VanDerWaalsContact CG-NH1 3.35Å; L140-R383 PolarHBondContact O-NH1 3.33Å; L140-R383 PolarHBondContact O-NH2 3.43Å
141	Q	95.1	Very high	93.9	Very high	5 Å²	5	18.7 Å²	18.7	2%	0.023	10%	0.103	C	C	.	.	H	α-helix	trans	-71.9	-40.7	176.5	-68.6	163.8	-24.4	0	0	110.5	L137 S138 E143 T144 I145 V172	L137-Q141 HydrophobicContact CD2-CB 4.16Å; S138-Q141 PolarHBondContact O-N 3.34Å; S138-Q141 VanDerWaalsContact OG-CD 3.27Å; S138-Q141 VanDerWaalsContact OG-CG 3.31Å; S138-Q141 WeakPolarHBondContact OG-CG 3.37Å; S138-Q141 PolarHBondContact OG-N 2.93Å; S138-Q141 PolarHBondContact OG-OE1 3.01Å; S138-Q141 VanDerWaalsContact OG-OE1 3.11Å; Q141-E143 PolarHBondContact O-N 3.03Å; Q141-T144 PolarHBondContact O-N 2.9Å; Q141-I145 WeakPolarHBondContact O-CG1 3.44Å; Q141-I145 PolarHBondContact O-N 3.42Å; Q141-V172 PolarHBondContact NE2-O 3.28Å
142	L	95.2	Very high	94.2	Very high	3 Å²	3	18.7 Å²	18.7	2%	0.016	10%	0.103	C	C	.	.	H	α-helix	trans	-60.1	-44.3	176.5	-176.5	59.3	0	0	0	111.8	L97 I125 I132 S138 A139 T144 I145 I146	L97-L142 HydrophobicContact CD2-CB 3.93Å; L97-L142 HydrophobicContact CD2-CD2 3.95Å; L97-L142 HydrophobicContact CD2-CG 3.79Å; I125-L142 HydrophobicContact CD1-CD1 3.38Å; I132-L142 HydrophobicContact CD1-CD1 4.36Å; I132-L142 HydrophobicContact CD1-CD2 4.02Å; I132-L142 HydrophobicContact CG1-CD2 4.19Å; I132-L142 HydrophobicContact CG2-CD2 3.86Å; S138-L142 WeakPolarHBondContact O-CB 3.43Å; S138-L142 PolarHBondContact O-N 3.23Å; A139-L142 PolarHBondContact O-N 3.29Å; L142-T144 VanDerWaalsContact C-N 3.27Å; L142-T144 PolarHBondContact O-N 2.73Å; L142-I145 PolarHBondContact O-N 3.17Å; L142-I145 VanDerWaalsContact O-N 3.16Å; L142-I146 HydrophobicContact CD1-CD1 4.31Å; L142-I146 HydrophobicContact CD1-CG1 4.48Å; L142-I146 HydrophobicContact CG-CD1 4.02Å; L142-I146 VanDerWaalsContact O-CG1 3.31Å; L142-I146 WeakPolarHBondContact O-CG1 3.49Å; L142-I146 PolarHBondContact O-N 3.35Å
143	E	95.6	Very high	94.4	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-55.3	-42.4	174.9	178.8	-176.9	-132.7	0	0	111.9	Y92 P94 L97 A139 Q141 I146 Y147 L381 R383	Y92-E143 WeakPolarHBondContact CE1-OE2 3.4Å; Y92-E143 PolarHBondContact OH-OE2 3.16Å; P94-E143 WeakPolarHBondContact CA-OE1 3.39Å; P94-E143 HydrophobicContact CB-CB 4.41Å; P94-E143 HydrophobicContact CB-CG 4.47Å; P94-E143 WeakPolarHBondContact CB-OE1 3.36Å; P94-E143 HydrophobicContact CG-CB 4.42Å; L97-E143 HydrophobicContact CB-CB 4.45Å; L97-E143 HydrophobicContact CD2-CB 3.95Å; A139-E143 WeakPolarHBondContact O-CB 3.42Å; A139-E143 PolarHBondContact O-N 3.19Å; Q141-E143 PolarHBondContact O-N 3.03Å; E143-I146 PolarHBondContact O-N 3.42Å; E143-Y147 HydrophobicContact CG-CD2 3.76Å; E143-Y147 HydrophobicContact CG-CE2 3.49Å; E143-Y147 VanDerWaalsContact CG-CE2 3.49Å; E143-Y147 WeakPolarHBondContact O-CD2 3.43Å; E143-Y147 PolarHBondContact O-N 3.46Å; E143-L381 HydrophobicContact CG-CD1 4.37Å; E143-R383 IonicContact OE2-NH1 2.99Å; E143-R383 PolarHBondContact OE2-NH1 3.17Å
144	T	95.9	Very high	94.6	Very high	1 Å²	1	19.8 Å²	19.8	1%	0.006	11%	0.107	C	C	.	.	H	α-helix	trans	-70	-38.7	178	-59.2	0	0	0	0	112.8	L140 Q141 L142 I146 Y147 A148 Y164 I166 T177 R383	L140-T144 PolarHBondContact O-N 3.18Å; L140-T144 PolarHBondContact O-OG1 3.26Å; Q141-T144 PolarHBondContact O-N 2.9Å; L142-T144 VanDerWaalsContact C-N 3.27Å; L142-T144 PolarHBondContact O-N 2.73Å; T144-I146 VanDerWaalsContact C-N 3.3Å; T144-I146 PolarHBondContact O-N 2.89Å; T144-Y147 PolarHBondContact O-N 3.45Å; T144-A148 VanDerWaalsContact O-CB 3.3Å; T144-A148 WeakPolarHBondContact O-CB 3.5Å; T144-A148 PolarHBondContact O-N 3.43Å; T144-Y164 HydrophobicContact CG2-CE1 3.64Å; T144-I166 HydrophobicContact CG2-CD1 4.48Å; T144-I166 HydrophobicContact CG2-CG1 4.05Å; T144-T177 HydrophobicContact CG2-CG2 3.57Å; T144-R383 VanDerWaalsContact OG1-CZ 3.3Å; T144-R383 PolarHBondContact OG1-NH1 2.73Å; T144-R383 PolarHBondContact OG1-NH2 3.15Å
145	I	97.1	Very high	94.8	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-60.5	-45.4	174.8	-65.9	160.2	0	0	0	109.7	I125 L137 Q141 L142 A148 C149 T177 I181	I125-I145 HydrophobicContact CD1-CG2 3.88Å; L137-I145 HydrophobicContact CD1-CD1 3.67Å; L137-I145 HydrophobicContact CD2-CD1 3.82Å; L137-I145 HydrophobicContact CG-CD1 4.34Å; Q141-I145 WeakPolarHBondContact O-CG1 3.44Å; Q141-I145 PolarHBondContact O-N 3.42Å; L142-I145 PolarHBondContact O-N 3.17Å; L142-I145 VanDerWaalsContact O-N 3.16Å; I145-A148 PolarHBondContact O-N 3.31Å; I145-C149 WeakPolarHBondContact O-CB 3.49Å; I145-C149 PolarHBondContact O-N 3.1Å; I145-C149 PolarHBondContact O-SG 3.39Å; I145-T177 HydrophobicContact CG1-CG2 4.11Å; I145-I181 HydrophobicContact CB-CG1 4.32Å; I145-I181 HydrophobicContact CG1-CG1 4.03Å; I145-I181 HydrophobicContact CG2-CG1 4.24Å
146	I	96.4	Very high	95	Very high	7 Å²	7	18.5 Å²	18.5	4%	0.036	9%	0.089	C	C	.	.	H	α-helix	trans	-61.1	-51.4	178.3	-70.9	169.5	0	0	0	110.6	L97 I121 L142 E143 T144 A148 C149 Q150	L97-I146 HydrophobicContact CD1-CD1 3.7Å; L97-I146 HydrophobicContact CD2-CD1 4.11Å; I121-I146 HydrophobicContact CB-CG2 4.4Å; I121-I146 HydrophobicContact CD1-CG2 4.31Å; I121-I146 HydrophobicContact CG1-CG2 4.16Å; I121-I146 HydrophobicContact CG2-CG2 3.49Å; I121-I146 VanDerWaalsContact CG2-CG2 3.49Å; L142-I146 HydrophobicContact CD1-CD1 4.31Å; L142-I146 HydrophobicContact CD1-CG1 4.48Å; L142-I146 HydrophobicContact CG-CD1 4.02Å; L142-I146 VanDerWaalsContact O-CG1 3.31Å; L142-I146 WeakPolarHBondContact O-CG1 3.49Å; L142-I146 PolarHBondContact O-N 3.35Å; E143-I146 PolarHBondContact O-N 3.42Å; T144-I146 VanDerWaalsContact C-N 3.3Å; T144-I146 PolarHBondContact O-N 2.89Å; I146-A148 VanDerWaalsContact C-N 3.34Å; I146-A148 PolarHBondContact O-N 2.93Å; I146-C149 PolarHBondContact O-N 2.87Å; I146-Q150 VanDerWaalsContact O-CB 3.23Å; I146-Q150 WeakPolarHBondContact O-CB 3.5Å; I146-Q150 PolarHBondContact O-N 3.29Å
147	Y	96.7	Very high	94.8	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-63.2	-38.9	179.2	-76.6	-55.1	0	0	0	112.8	P118 P119 I121 E143 T144 Q150 Q151 L381	P118-Y147 HydrophobicContact CB-CE1 4.21Å; P118-Y147 HydrophobicContact CB-CE2 3.75Å; P118-Y147 WeakPolarHBondContact CB-OH 3.48Å; P118-Y147 HydrophobicContact CG-CE2 3.86Å; P118-Y147 VanDerWaalsContact CG-OH 3.25Å; P118-Y147 WeakPolarHBondContact CG-OH 3.4Å; P119-Y147 HydrophobicContact CG-CD1 4.39Å; P119-Y147 HydrophobicContact CG-CE1 3.92Å; P119-Y147 VanDerWaalsContact O-CE1 3.28Å; P119-Y147 WeakPolarHBondContact O-CE1 3.29Å; P119-Y147 PolarHBondContact O-OH 3.37Å; I121-Y147 HydrophobicContact CG1-CE1 4Å; E143-Y147 HydrophobicContact CG-CD2 3.76Å; E143-Y147 HydrophobicContact CG-CE2 3.49Å; E143-Y147 VanDerWaalsContact CG-CE2 3.49Å; E143-Y147 WeakPolarHBondContact O-CD2 3.43Å; E143-Y147 PolarHBondContact O-N 3.46Å; T144-Y147 PolarHBondContact O-N 3.45Å; Y147-Q150 PolarHBondContact O-N 3.09Å; Y147-Q151 WeakPolarHBondContact O-CG 3.45Å; Y147-Q151 PolarHBondContact O-N 3.4Å; Y147-L381 HydrophobicContact CD2-CD1 3.91Å; Y147-L381 HydrophobicContact CE2-CD1 4.37Å
148	A	97.3	Very high	94.5	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-60.6	-47.8	174.8	0	0	0	0	0	111.6	T144 I145 I146 Q151 H152 Y164 I181	T144-A148 VanDerWaalsContact O-CB 3.3Å; T144-A148 WeakPolarHBondContact O-CB 3.5Å; T144-A148 PolarHBondContact O-N 3.43Å; I145-A148 PolarHBondContact O-N 3.31Å; I146-A148 VanDerWaalsContact C-N 3.34Å; I146-A148 PolarHBondContact O-N 2.93Å; A148-Q151 PolarHBondContact O-N 3.14Å; A148-H152 WeakPolarHBondContact O-CB 3.49Å; A148-H152 PolarHBondContact O-CD2 2.74Å; A148-H152 PolarHBondContact O-N 2.92Å; A148-H152 PolarHBondContact O-ND1 3.45Å; A148-Y164 HydrophobicContact CB-CD1 3.73Å; A148-Y164 HydrophobicContact CB-CD2 4.22Å; A148-Y164 HydrophobicContact CB-CE1 4.32Å; A148-Y164 HydrophobicContact CB-CG 3.68Å; A148-I181 HydrophobicContact CB-CD1 3.68Å; A148-I181 HydrophobicContact CB-CG1 4.15Å
149	C	97.3	Very high	94.4	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-66.5	-39.3	178.9	-62.6	0	0	0	0	112	Y123 I145 I146 Q151 H152 E153	Y123-C149 HydrophobicContact CD1-CB 3.79Å; Y123-C149 HydrophobicContact CD2-CB 4.14Å; Y123-C149 HydrophobicContact CE1-CB 3.36Å; Y123-C149 HydrophobicContact CE2-CB 3.77Å; Y123-C149 HydrophobicContact CG-CB 4.16Å; I145-C149 WeakPolarHBondContact O-CB 3.49Å; I145-C149 PolarHBondContact O-N 3.1Å; I145-C149 PolarHBondContact O-SG 3.39Å; I146-C149 PolarHBondContact O-N 2.87Å; C149-Q151 PolarHBondContact O-N 2.87Å; C149-H152 PolarHBondContact O-N 3.2Å; C149-H152 VanDerWaalsContact O-N 3.17Å; C149-E153 PolarHBondContact O-N 2.93Å
150	Q	96.1	Very high	94.5	Very high	4 Å²	4	23 Å²	23	2%	0.019	13%	0.128	C	C	.	.	H	α-helix	trans	-58.8	-45.9	174.6	-167.6	166.2	-85.8	0	0	111.4	E120 W122 I146 Y147 H152 E153	E120-Q150 PolarHBondContact O-NE2 2.74Å; W122-Q150 HydrophobicContact CD2-CG 3.91Å; W122-Q150 HydrophobicContact CE3-CG 4.37Å; W122-Q150 VanDerWaalsContact CG-OE1 3.31Å; W122-Q150 HydrophobicContact CH2-CG 3.78Å; W122-Q150 HydrophobicContact CZ2-CB 4.46Å; W122-Q150 HydrophobicContact CZ2-CG 3.22Å; W122-Q150 HydrophobicContact CZ3-CG 4.31Å; I146-Q150 VanDerWaalsContact O-CB 3.23Å; I146-Q150 WeakPolarHBondContact O-CB 3.5Å; I146-Q150 PolarHBondContact O-N 3.29Å; Y147-Q150 PolarHBondContact O-N 3.09Å; Q150-H152 VanDerWaalsContact C-N 3.33Å; Q150-H152 PolarHBondContact O-N 3.49Å; Q150-E153 PolarHBondContact O-N 2.99Å
151	Q	94.8	Very high	94.6	Very high	14 Å²	14	24.1 Å²	24.1	7%	0.065	13%	0.132	C	C	.	.	H	α-helix	trans	-65.9	-38	174.9	-70.7	-52.7	-26.2	0	0	112.7	Y147 A148 C149 E153 N154 S162 Y164 R377 G378 L379	Y147-Q151 WeakPolarHBondContact O-CG 3.45Å; Y147-Q151 PolarHBondContact O-N 3.4Å; A148-Q151 PolarHBondContact O-N 3.14Å; C149-Q151 PolarHBondContact O-N 2.87Å; Q151-E153 PolarHBondContact O-N 3.16Å; Q151-E153 VanDerWaalsContact O-N 3.15Å; Q151-N154 WeakPolarHBondContact O-CB 3.37Å; Q151-N154 PolarHBondContact O-N 3.49Å; Q151-N154 PolarHBondContact OE1-ND2 3.38Å; Q151-N154 VanDerWaalsContact OE1-ND2 3.16Å; Q151-S162 WeakPolarHBondContact O-CB 3.38Å; Q151-Y164 HydrophobicContact CG-CD2 4.05Å; Q151-R377 PolarHBondContact NE2-O 2.91Å; Q151-G378 WeakPolarHBondContact CG-O 3.36Å; Q151-G378 VanDerWaalsContact NE2-C 3.28Å; Q151-G378 PolarHBondContact NE2-O 3.11Å; Q151-L379 HydrophobicContact CG-CD2 4.04Å
152	H	97.1	Very high	94.7	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-66.7	-12.9	179.3	-66.5	168.2	0	0	0	112.9	A148 C149 Q150 N154 R161 S162 R319 I320	A148-H152 WeakPolarHBondContact O-CB 3.49Å; A148-H152 PolarHBondContact O-CD2 2.74Å; A148-H152 PolarHBondContact O-N 2.92Å; A148-H152 PolarHBondContact O-ND1 3.45Å; C149-H152 PolarHBondContact O-N 3.2Å; C149-H152 VanDerWaalsContact O-N 3.17Å; Q150-H152 VanDerWaalsContact C-N 3.33Å; Q150-H152 PolarHBondContact O-N 3.49Å; H152-N154 VanDerWaalsContact C-N 3.3Å; H152-R161 WeakPolarHBondContact O-CD 3.27Å; H152-R161 WeakPolarHBondContact O-CG 3.36Å; H152-R161 PolarHBondContact O-NH1 2.89Å; H152-S162 PolarHBondContact CD2-O 2.85Å; H152-S162 VanDerWaalsContact CD2-O 3.29Å; H152-R319 VanDerWaalsContact C-NH1 3.34Å; H152-R319 HydrophobicContact CB-CB 4.48Å; H152-R319 HydrophobicContact CB-CG 3.94Å; H152-R319 PolarHBondContact O-NH1 3.14Å; H152-R319 VanDerWaalsContact O-NH1 3.15Å; H152-I320 PolarHBondContact NE2-O 3.31Å
153	E	95.4	Very high	94.7	Very high	77 Å²	77	24 Å²	24	36%	0.36	13%	0.132	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.1	-14.2	169.4	-66.3	-49.3	120.5	0	0	113.4	W122 Y123 C149 Q150 Q151 R319	W122-E153 HydrophobicContact CH2-CB 3.93Å; W122-E153 HydrophobicContact CH2-CG 4.34Å; Y123-E153 HydrophobicContact CD2-CG 4.38Å; Y123-E153 HydrophobicContact CE2-CG 4.3Å; C149-E153 PolarHBondContact O-N 2.93Å; Q150-E153 PolarHBondContact O-N 2.99Å; Q151-E153 PolarHBondContact O-N 3.16Å; Q151-E153 VanDerWaalsContact O-N 3.15Å; E153-R319 IonicContact OE1-CZ 3.07Å; E153-R319 VanDerWaalsContact OE1-CZ 3.27Å; E153-R319 IonicContact OE1-NH1 3.34Å; E153-R319 PolarHBondContact OE1-NH1 3.25Å; E153-R319 IonicContact OE1-NH2 2.88Å; E153-R319 PolarHBondContact OE1-NH2 2.99Å; E153-R319 IonicContact OE2-NH2 3.27Å
154	N	93	Very high	94.8	Very high	69 Å²	69	24 Å²	24	37%	0.369	13%	0.132	S	C	.	.			trans	-86.6	142.2	178.6	-61.6	-42.7	0	0	0	112.3	Q151 H152 S162	Q151-N154 WeakPolarHBondContact O-CB 3.37Å; Q151-N154 PolarHBondContact O-N 3.49Å; Q151-N154 PolarHBondContact OE1-ND2 3.38Å; Q151-N154 VanDerWaalsContact OE1-ND2 3.16Å; H152-N154 VanDerWaalsContact C-N 3.3Å; N154-S162 PolarHBondContact O-N 3.2Å
155	I	94.2	Very high	94.8	Very high	79 Å²	79	23.9 Å²	23.9	41%	0.405	13%	0.131	S	C	.	.	B	Isolated β-bridge	trans	-111.4	130.2	171.4	-55.5	-60.4	0	0	0	108.5	R161	I155-R161 HydrophobicContact CD1-CB 4.03Å; I155-R161 HydrophobicContact CD1-CG 4.16Å
156	L	91.8	Very high	94.7	Very high	11 Å²	11	23.9 Å²	23.9	6%	0.058	13%	0.131	C	C	.	.			trans	-70.8	158.9	175.9	-60.6	175.2	0	0	0	110.8	N158 G159 E160	L156-N158 WeakPolarHBondContact CB-OD1 3.14Å; L156-N158 PolarHBondContact O-N 2.99Å; L156-N158 VanDerWaalsContact O-N 3.17Å; L156-G159 WeakPolarHBondContact O-CA 3.44Å; L156-G159 PolarHBondContact O-N 2.94Å; L156-E160 VanDerWaalsContact CB-O 3.28Å; L156-E160 WeakPolarHBondContact CB-O 3.35Å; L156-E160 PolarHBondContact N-O 2.96Å
157	P	87.4	Confident	94.3	Very high	76 Å²	76	23.8 Å²	23.8	49%	0.494	13%	0.132	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.3	-34.8	-177.8	-28.8	37.1	0	0	0	114.6	G159 E345	P157-G159 PolarHBondContact O-N 2.84Å; P157-G159 VanDerWaalsContact O-N 3.11Å; P157-E345 WeakPolarHBondContact CB-O 3.41Å; P157-E345 WeakPolarHBondContact CG-O 3.25Å
158	N	88	Confident	94	Very high	71 Å²	71	23.8 Å²	23.8	38%	0.38	13%	0.132	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.9	6.4	176.3	68.1	-3.2	0	0	0	114.1	L156 E160	L156-N158 WeakPolarHBondContact CB-OD1 3.14Å; L156-N158 PolarHBondContact O-N 2.99Å; L156-N158 VanDerWaalsContact O-N 3.17Å; N158-E160 VanDerWaalsContact C-N 3.32Å; N158-E160 PolarHBondContact ND2-OE2 2.8Å; N158-E160 PolarHBondContact O-N 3.18Å; N158-E160 WeakPolarHBondContact OD1-CB 3.27Å; N158-E160 WeakPolarHBondContact OD1-CG 3.47Å; N158-E160 PolarHBondContact OD1-N 2.79Å; N158-E160 VanDerWaalsContact OD1-N 3.11Å
159	G	91.3	Very high	93.3	Very high	27 Å²	27	23.8 Å²	23.8	28%	0.278	13%	0.132	S	C	.	.	S	Bend	trans	84	-1.8	178.8	0	0	0	0	0	115	L156 P157 K317	L156-G159 WeakPolarHBondContact O-CA 3.44Å; L156-G159 PolarHBondContact O-N 2.94Å; P157-G159 PolarHBondContact O-N 2.84Å; P157-G159 VanDerWaalsContact O-N 3.11Å; G159-K317 PolarHBondContact O-NZ 3.44Å
160	E	94.8	Very high	92.5	Very high	34 Å²	34	25.5 Å²	25.5	16%	0.159	14%	0.143	C	C	.	.	P	Polyproline II helix	trans	-86.2	147.1	179.8	-55	-179.8	119.7	0	0	111.2	L156 N158 P316 R339	L156-E160 VanDerWaalsContact CB-O 3.28Å; L156-E160 WeakPolarHBondContact CB-O 3.35Å; L156-E160 PolarHBondContact N-O 2.96Å; N158-E160 VanDerWaalsContact C-N 3.32Å; N158-E160 PolarHBondContact ND2-OE2 2.8Å; N158-E160 PolarHBondContact O-N 3.18Å; N158-E160 WeakPolarHBondContact OD1-CB 3.27Å; N158-E160 WeakPolarHBondContact OD1-CG 3.47Å; N158-E160 PolarHBondContact OD1-N 2.79Å; N158-E160 VanDerWaalsContact OD1-N 3.11Å; E160-P316 WeakPolarHBondContact CA-O 3.5Å; E160-P316 HydrophobicContact CG-CB 4.12Å; E160-R339 VanDerWaalsContact CB-NH1 3.34Å; E160-R339 VanDerWaalsContact CD-CZ 3.42Å; E160-R339 IonicContact OE1-CZ 2.79Å; E160-R339 VanDerWaalsContact OE1-CZ 3.27Å; E160-R339 IonicContact OE1-NH1 3.32Å; E160-R339 PolarHBondContact OE1-NH1 2.81Å; E160-R339 IonicContact OE1-NH2 3.06Å; E160-R339 PolarHBondContact OE1-NH2 3.31Å; E160-R339 IonicContact OE2-CZ 3.9Å; E160-R339 IonicContact OE2-NH1 2.73Å; E160-R339 PolarHBondContact OE2-NH1 3.39Å; E160-R339 IonicContact OE2-NH2 2.82Å
161	R	97	Very high	91.9	Very high	29 Å²	29	26 Å²	26	11%	0.109	15%	0.149	C	C	.	.	B	Isolated β-bridge	trans	-72	140.5	179.8	-172.7	176.9	-64.8	-70	-0.9	111	H152 I155 P316 K317 R319 R339	H152-R161 WeakPolarHBondContact O-CD 3.27Å; H152-R161 WeakPolarHBondContact O-CG 3.36Å; H152-R161 PolarHBondContact O-NH1 2.89Å; I155-R161 HydrophobicContact CD1-CB 4.03Å; I155-R161 HydrophobicContact CD1-CG 4.16Å; R161-P316 PolarHBondContact N-O 3.19Å; R161-K317 PolarHBondContact NE-O 2.92Å; R161-R319 VanDerWaalsContact CD-CG 3.49Å; R161-R339 WeakPolarHBondContact O-CD 3.24Å
162	S	95.6	Very high	91.6	Very high	4 Å²	4	25.3 Å²	25.3	3%	0.028	15%	0.146	C	C	.	.	P	Polyproline II helix	trans	-65.3	140.8	174.3	-165.3	0	0	0	0	110.7	Q151 H152 N154 R339	Q151-S162 WeakPolarHBondContact O-CB 3.38Å; H152-S162 PolarHBondContact CD2-O 2.85Å; H152-S162 VanDerWaalsContact CD2-O 3.29Å; N154-S162 PolarHBondContact O-N 3.2Å; S162-R339 CarbonylContact C-O 3.48Å; S162-R339 WeakPolarHBondContact CA-O 3.47Å
163	G	96.4	Very high	91.4	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	15%	0.154	C	C	.	.			trans	-99.5	178	175.1	0	0	0	0	0	112	I320 R339	G163-I320 VanDerWaalsContact CA-O 3.29Å; G163-I320 WeakPolarHBondContact CA-O 3.41Å; G163-R339 PolarHBondContact N-O 2.69Å
164	Y	97.3	Very high	91.2	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	141.4	176.6	-174.7	-91.4	0	0	0	110.5	T144 A148 Q151 I166 I320 V321 Y322 G378 L379 L381	T144-Y164 HydrophobicContact CG2-CE1 3.64Å; A148-Y164 HydrophobicContact CB-CD1 3.73Å; A148-Y164 HydrophobicContact CB-CD2 4.22Å; A148-Y164 HydrophobicContact CB-CE1 4.32Å; A148-Y164 HydrophobicContact CB-CG 3.68Å; Q151-Y164 HydrophobicContact CG-CD2 4.05Å; Y164-I166 HydrophobicContact CD1-CG1 3.91Å; Y164-I166 HydrophobicContact CE1-CG1 3.8Å; Y164-I320 PolarHBondContact N-O 3.37Å; Y164-I320 VanDerWaalsContact N-O 3.14Å; Y164-V321 WeakPolarHBondContact O-CA 3.23Å; Y164-Y322 PolarHBondContact O-N 3.5Å; Y164-G378 WeakPolarHBondContact CD2-O 3.31Å; Y164-G378 VanDerWaalsContact CE2-O 3.26Å; Y164-G378 WeakPolarHBondContact CE2-O 3.45Å; Y164-L379 WeakPolarHBondContact CD2-O 3.49Å; Y164-L381 WeakPolarHBondContact OH-CG 3.47Å
165	L	95.4	Very high	91.2	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	116.5	177.3	176	64	0	0	0	110.9	G167 Y322 A328 M337 L340 L379 Y380	L165-G167 PolarHBondContact O-N 2.86Å; L165-Y322 CarbonylContact C-O 3.54Å; L165-Y322 WeakPolarHBondContact CA-O 3.46Å; L165-A328 HydrophobicContact CD2-CB 4.35Å; L165-M337 HydrophobicContact CD1-CE 3.88Å; L165-M337 HydrophobicContact CD1-SD 4.17Å; L165-M337 HydrophobicContact CD2-CE 4.3Å; L165-M337 HydrophobicContact CD2-SD 3.94Å; L165-L340 HydrophobicContact CB-CD1 4.24Å; L165-L340 HydrophobicContact CB-CD2 4Å; L165-L340 HydrophobicContact CD2-CD1 4.26Å; L165-L379 PolarHBondContact N-O 3.35Å; L165-Y380 HydrophobicContact CB-CD2 3.96Å; L165-Y380 HydrophobicContact CD2-CD2 3.49Å; L165-Y380 VanDerWaalsContact CD2-CD2 3.49Å; L165-Y380 HydrophobicContact CD2-CE2 3.58Å; L165-Y380 HydrophobicContact CG-CD2 3.56Å; L165-Y380 HydrophobicContact CG-CE2 3.82Å; L165-Y380 WeakPolarHBondContact O-CA 3.18Å; L165-Y380 WeakPolarHBondContact O-CD2 3.35Å
166	I	94.7	Very high	91.2	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	105.1	168.3	-54.4	172.6	0	0	0	107.9	T144 Y164 D168 K174 T177 I178 I181 V321 Y322 A323 S324	T144-I166 HydrophobicContact CG2-CD1 4.48Å; T144-I166 HydrophobicContact CG2-CG1 4.05Å; Y164-I166 HydrophobicContact CD1-CG1 3.91Å; Y164-I166 HydrophobicContact CE1-CG1 3.8Å; I166-D168 HydrophobicContact CG2-CB 4.2Å; I166-K174 HydrophobicContact CG2-CD 3.9Å; I166-K174 HydrophobicContact CG2-CG 3.92Å; I166-T177 HydrophobicContact CD1-CG2 4.06Å; I166-I178 HydrophobicContact CD1-CG1 4.01Å; I166-I181 HydrophobicContact CD1-CD1 4.05Å; I166-V321 HydrophobicContact CD1-CG1 3.67Å; I166-V321 HydrophobicContact CG1-CG1 4.08Å; I166-Y322 PolarHBondContact N-O 2.65Å; I166-A323 HydrophobicContact CB-CB 4.14Å; I166-A323 HydrophobicContact CD1-CB 4.45Å; I166-A323 WeakPolarHBondContact O-CA 3.05Å; I166-S324 PolarHBondContact O-N 2.84Å
167	G	89.3	Confident	91.5	Very high	4 Å²	4	18.6 Å²	18.6	4%	0.041	12%	0.117	C	C	.	.			trans	-94	6.1	177.6	0	0	0	0	0	114.6	L165 L381 A382	L165-G167 PolarHBondContact O-N 2.86Å; G167-L381 VanDerWaalsContact CA-O 3.28Å; G167-L381 WeakPolarHBondContact CA-O 3.47Å; G167-L381 PolarHBondContact N-O 3.45Å; G167-A382 WeakPolarHBondContact O-CB 3.41Å
168	D	89.6	Confident	92	Very high	0 Å²	0	15 Å²	15	0%	0	9%	0.093	C	C	.	.			trans	-57.3	142	-178.1	-70.1	-26.5	0	0	0	112.2	I166 V172 K174 A325 R383	I166-D168 HydrophobicContact CG2-CB 4.2Å; D168-V172 HydrophobicContact CB-CB 4.13Å; D168-V172 HydrophobicContact CB-CG1 4.13Å; D168-V172 HydrophobicContact CB-CG2 4.47Å; D168-K174 HydrophobicContact CB-CD 4.23Å; D168-K174 HydrophobicContact CB-CG 3.82Å; D168-K174 VanDerWaalsContact O-CD 3.27Å; D168-K174 WeakPolarHBondContact O-CD 3.43Å; D168-K174 WeakPolarHBondContact O-CE 3.31Å; D168-K174 PolarHBondContact O-NZ 2.81Å; D168-A325 WeakPolarHBondContact O-CB 3.3Å; D168-R383 CarbonylContact C-O 3.57Å; D168-R383 VanDerWaalsContact CA-O 3.29Å; D168-R383 WeakPolarHBondContact CA-O 3.45Å; D168-R383 WeakPolarHBondContact OD1-CB 3.31Å; D168-R383 IonicContact OD1-CZ 3.94Å; D168-R383 PolarHBondContact OD1-N 2.77Å; D168-R383 IonicContact OD1-NE 2.63Å; D168-R383 PolarHBondContact OD1-NE 3.24Å; D168-R383 IonicContact OD1-NH2 3.74Å; D168-R383 PolarHBondContact OD1-NH2 3.18Å; D168-R383 IonicContact OD2-CZ 3.65Å; D168-R383 IonicContact OD2-NE 2.74Å; D168-R383 IonicContact OD2-NH2 3.68Å; D168-R383 PolarHBondContact OD2-NH2 3.31Å
169	G	82.7	Confident	92.4	Very high	1 Å²	1	11.6 Å²	11.6	1%	0.01	8%	0.075	C	C	.	.			trans	-64.9	174.9	177.6	0	0	0	0	0	113.5	K174 R383	G169-K174 PolarHBondContact O-NZ 3.43Å; G169-K174 VanDerWaalsContact O-NZ 3.16Å; G169-R383 PolarHBondContact N-O 3.17Å
170	P	81.1	Confident	92.7	Very high	35 Å²	35	10.3 Å²	10.3	23%	0.227	6%	0.062	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.6	145.7	169	-21.6	33.7	0	0	0	111.4	V172 V832	P170-V172 VanDerWaalsContact C-N 3.34Å; P170-V172 PolarHBondContact O-N 2.82Å; P170-V832 HydrophobicContact CG-CG1 4.39Å
171	G	83.7	Confident	92.9	Very high	14 Å²	14	8.7 Å²	8.7	14%	0.144	5%	0.054	C	C	.	.	T	Hydrogen-bonded Turn	trans	85.8	-20.5	172.3	0	0	0	0	0	117.2	G173 S841	G171-G173 PolarHBondContact O-N 3.43Å; G171-S841 VanDerWaalsContact O-CB 3.28Å; G171-S841 WeakPolarHBondContact O-CB 3.45Å; G171-S841 PolarHBondContact O-N 3.23Å; G171-S841 PolarHBondContact O-OG 2.94Å
172	V	88.9	Confident	92.9	Very high	0 Å²	0	7.3 Å²	7.3	0%	0	5%	0.049	C	C	.	.	S	Bend	trans	-68.4	-15.2	-178.5	-177.7	0	0	0	0	113.7	H103 L140 Q141 D168 P170 L385	H103-V172 PolarHBondContact NE2-O 3.1Å; L140-V172 HydrophobicContact CD2-CG1 3.83Å; Q141-V172 PolarHBondContact NE2-O 3.28Å; D168-V172 HydrophobicContact CB-CB 4.13Å; D168-V172 HydrophobicContact CB-CG1 4.13Å; D168-V172 HydrophobicContact CB-CG2 4.47Å; P170-V172 VanDerWaalsContact C-N 3.34Å; P170-V172 PolarHBondContact O-N 2.82Å; V172-L385 HydrophobicContact CG2-CB 4.37Å
173	G	91	Very high	93.1	Very high	17 Å²	17	8.6 Å²	8.6	18%	0.175	5%	0.054	C	C	.	.			trans	93.5	39.1	-179.9	0	0	0	0	0	114.2	G171 G175 R176 T177	G171-G173 PolarHBondContact O-N 3.43Å; G173-G175 VanDerWaalsContact C-N 3.26Å; G173-G175 PolarHBondContact O-N 3.46Å; G173-R176 PolarHBondContact O-N 3.11Å; G173-R176 VanDerWaalsContact O-N 3.16Å; G173-T177 PolarHBondContact O-N 3.15Å; G173-T177 PolarHBondContact O-OG1 3.16Å; G173-T177 VanDerWaalsContact O-OG1 3.1Å
174	K	91.6	Very high	93.1	Very high	18 Å²	18	8.6 Å²	8.6	8%	0.078	5%	0.054	C	C	.	.	H	α-helix	trans	-50.4	-43.6	171.7	-72.6	-161.1	-68.7	-82.4	0	113	I166 D168 G169 R176 T177 I178	I166-K174 HydrophobicContact CG2-CD 3.9Å; I166-K174 HydrophobicContact CG2-CG 3.92Å; D168-K174 HydrophobicContact CB-CD 4.23Å; D168-K174 HydrophobicContact CB-CG 3.82Å; D168-K174 VanDerWaalsContact O-CD 3.27Å; D168-K174 WeakPolarHBondContact O-CD 3.43Å; D168-K174 WeakPolarHBondContact O-CE 3.31Å; D168-K174 PolarHBondContact O-NZ 2.81Å; G169-K174 PolarHBondContact O-NZ 3.43Å; G169-K174 VanDerWaalsContact O-NZ 3.16Å; K174-R176 PolarHBondContact O-N 3.02Å; K174-T177 WeakPolarHBondContact O-CA 3.45Å; K174-T177 VanDerWaalsContact O-CB 3.32Å; K174-T177 WeakPolarHBondContact O-CB 3.4Å; K174-T177 PolarHBondContact O-N 3.42Å; K174-T177 VanDerWaalsContact O-N 3.09Å; K174-I178 VanDerWaalsContact O-CG1 3.31Å; K174-I178 WeakPolarHBondContact O-CG1 3.47Å; K174-I178 PolarHBondContact O-N 3.46Å
175	G	93.6	Very high	93.1	Very high	15 Å²	15	8.6 Å²	8.6	16%	0.155	5%	0.054	C	C	.	.	H	α-helix	trans	-60.4	-41.2	179.3	0	0	0	0	0	113.2	G173 I178 A179 D209	G173-G175 VanDerWaalsContact C-N 3.26Å; G173-G175 PolarHBondContact O-N 3.46Å; G175-I178 PolarHBondContact O-N 2.83Å; G175-A179 WeakPolarHBondContact O-CB 3.42Å; G175-A179 PolarHBondContact O-N 2.94Å; G175-D209 VanDerWaalsContact CA-OD2 3.25Å; G175-D209 WeakPolarHBondContact CA-OD2 3.49Å
176	R	94.9	Very high	93.3	Very high	45 Å²	45	10.2 Å²	10.2	17%	0.17	6%	0.06	C	C	.	.	H	α-helix	trans	-65.6	-38.3	171.9	-68.4	-174	-177.2	174	1.7	112.6	G173 K174 A179 G180 D209 D212 V213	G173-R176 PolarHBondContact O-N 3.11Å; G173-R176 VanDerWaalsContact O-N 3.16Å; K174-R176 PolarHBondContact O-N 3.02Å; R176-A179 PolarHBondContact O-N 3.36Å; R176-G180 PolarHBondContact O-N 3.31Å; R176-D209 HydrophobicContact CG-CB 4.27Å; R176-D212 IonicContact CZ-OD2 2.63Å; R176-D212 VanDerWaalsContact CZ-OD2 3.3Å; R176-D212 IonicContact NE-OD2 3.47Å; R176-D212 PolarHBondContact NE-OD2 3.28Å; R176-D212 VanDerWaalsContact NE-OD2 3.07Å; R176-D212 IonicContact NH2-OD2 3.41Å; R176-D212 PolarHBondContact NH2-OD2 3.5Å; R176-V213 HydrophobicContact CB-CG1 4.02Å; R176-V213 HydrophobicContact CG-CG1 4.34Å
177	T	96.7	Very high	93.3	Very high	0 Å²	0	13.3 Å²	13.3	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-62.3	-47	175.2	-52.9	0	0	0	0	110.9	T144 I145 I166 G173 K174 A179 G180 I181	T144-T177 HydrophobicContact CG2-CG2 3.57Å; I145-T177 HydrophobicContact CG1-CG2 4.11Å; I166-T177 HydrophobicContact CD1-CG2 4.06Å; G173-T177 PolarHBondContact O-N 3.15Å; G173-T177 PolarHBondContact O-OG1 3.16Å; G173-T177 VanDerWaalsContact O-OG1 3.1Å; K174-T177 WeakPolarHBondContact O-CA 3.45Å; K174-T177 VanDerWaalsContact O-CB 3.32Å; K174-T177 WeakPolarHBondContact O-CB 3.4Å; K174-T177 PolarHBondContact O-N 3.42Å; K174-T177 VanDerWaalsContact O-N 3.09Å; T177-A179 PolarHBondContact O-N 3.45Å; T177-G180 PolarHBondContact O-N 2.88Å; T177-I181 WeakPolarHBondContact O-CG1 3.45Å; T177-I181 PolarHBondContact O-N 3.47Å
178	I	97.8	Very high	93.7	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-59.5	-47.2	174.8	-69.5	162.9	0	0	0	110.6	I166 K174 G175 G180 I181 I182 W195 V283 D285 A323	I166-I178 HydrophobicContact CD1-CG1 4.01Å; K174-I178 VanDerWaalsContact O-CG1 3.31Å; K174-I178 WeakPolarHBondContact O-CG1 3.47Å; K174-I178 PolarHBondContact O-N 3.46Å; G175-I178 PolarHBondContact O-N 2.83Å; I178-G180 VanDerWaalsContact C-N 3.27Å; I178-G180 PolarHBondContact O-N 3.33Å; I178-I181 PolarHBondContact O-N 3.07Å; I178-I182 HydrophobicContact CG2-CD1 4.05Å; I178-I182 WeakPolarHBondContact O-CG1 3.38Å; I178-I182 PolarHBondContact O-N 3.04Å; I178-W195 HydrophobicContact CB-CH2 3.95Å; I178-W195 HydrophobicContact CB-CZ2 4.03Å; I178-W195 HydrophobicContact CB-CZ3 4.47Å; I178-W195 HydrophobicContact CD1-CZ2 4.02Å; I178-W195 HydrophobicContact CG2-CD2 3.94Å; I178-W195 HydrophobicContact CG2-CE3 3.87Å; I178-W195 HydrophobicContact CG2-CH2 3.55Å; I178-W195 HydrophobicContact CG2-CZ2 3.62Å; I178-W195 HydrophobicContact CG2-CZ3 3.68Å; I178-V283 HydrophobicContact CD1-CG1 3.9Å; I178-V283 HydrophobicContact CG1-CG1 4.05Å; I178-V283 HydrophobicContact CG2-CB 4.22Å; I178-V283 HydrophobicContact CG2-CG1 3.71Å; I178-V283 HydrophobicContact CG2-CG2 3.63Å; I178-D285 HydrophobicContact CD1-CB 4.3Å; I178-A323 HydrophobicContact CD1-CB 3.92Å
179	A	97.8	Very high	94	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-58.7	-39.8	176.6	0	0	0	0	0	111.8	G175 R176 T177 I182 Y183 D209 L210 V213	G175-A179 WeakPolarHBondContact O-CB 3.42Å; G175-A179 PolarHBondContact O-N 2.94Å; R176-A179 PolarHBondContact O-N 3.36Å; T177-A179 PolarHBondContact O-N 3.45Å; A179-I182 PolarHBondContact O-N 2.74Å; A179-Y183 VanDerWaalsContact O-CB 3.3Å; A179-Y183 WeakPolarHBondContact O-CB 3.35Å; A179-Y183 PolarHBondContact O-N 2.84Å; A179-D209 HydrophobicContact CB-CB 4.23Å; A179-L210 HydrophobicContact CB-CD2 3.9Å; A179-L210 HydrophobicContact CB-CG 4.07Å; A179-V213 HydrophobicContact CB-CG1 4.44Å; A179-V213 HydrophobicContact CB-CG2 3.85Å
180	G	97.6	Very high	94.7	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-63.2	-42.7	173.8	0	0	0	0	0	113.4	R176 T177 I178 I182 Y183 E184	R176-G180 PolarHBondContact O-N 3.31Å; T177-G180 PolarHBondContact O-N 2.88Å; I178-G180 VanDerWaalsContact C-N 3.27Å; I178-G180 PolarHBondContact O-N 3.33Å; G180-I182 PolarHBondContact O-N 3.06Å; G180-Y183 PolarHBondContact O-N 2.75Å; G180-E184 PolarHBondContact O-N 2.95Å
181	I	98.2	Very high	95.4	Very high	1 Å²	1	23 Å²	23	1%	0.005	13%	0.129	C	C	.	.	H	α-helix	trans	-61.9	-44.1	174.5	-63.9	167	0	0	0	110.9	I145 A148 I166 T177 I178 Y183 N185 V281 V321	I145-I181 HydrophobicContact CB-CG1 4.32Å; I145-I181 HydrophobicContact CG1-CG1 4.03Å; I145-I181 HydrophobicContact CG2-CG1 4.24Å; A148-I181 HydrophobicContact CB-CD1 3.68Å; A148-I181 HydrophobicContact CB-CG1 4.15Å; I166-I181 HydrophobicContact CD1-CD1 4.05Å; T177-I181 WeakPolarHBondContact O-CG1 3.45Å; T177-I181 PolarHBondContact O-N 3.47Å; I178-I181 PolarHBondContact O-N 3.07Å; I181-Y183 VanDerWaalsContact C-N 3.32Å; I181-N185 PolarHBondContact O-N 2.84Å; I181-N185 PolarHBondContact O-ND2 2.84Å; I181-V281 HydrophobicContact CG2-CG1 4.21Å; I181-V281 HydrophobicContact CG2-CG2 4.35Å; I181-V321 HydrophobicContact CD1-CG1 4.19Å; I181-V321 HydrophobicContact CD1-CG2 4.1Å; I181-V321 HydrophobicContact CG2-CG2 4.13Å
182	I	98.3	Very high	96.1	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-62.8	-42.6	175.8	-69.2	171.7	0	0	0	110.1	I178 A179 G180 N185 Y186 W195 L210 I218 V243 V281 V283	I178-I182 HydrophobicContact CG2-CD1 4.05Å; I178-I182 WeakPolarHBondContact O-CG1 3.38Å; I178-I182 PolarHBondContact O-N 3.04Å; A179-I182 PolarHBondContact O-N 2.74Å; G180-I182 PolarHBondContact O-N 3.06Å; I182-N185 PolarHBondContact O-N 3.07Å; I182-Y186 VanDerWaalsContact O-CB 3.3Å; I182-Y186 WeakPolarHBondContact O-CB 3.25Å; I182-Y186 PolarHBondContact O-N 3.32Å; I182-W195 HydrophobicContact CD1-CD2 4.47Å; I182-W195 HydrophobicContact CD1-CE3 3.59Å; I182-W195 HydrophobicContact CD1-CZ3 4Å; I182-L210 HydrophobicContact CG2-CD2 4.31Å; I182-I218 HydrophobicContact CG2-CD1 4.35Å; I182-V243 HydrophobicContact CD1-CG2 4.21Å; I182-V243 HydrophobicContact CG2-CG2 3.89Å; I182-V281 HydrophobicContact CG1-CG1 4.35Å; I182-V283 HydrophobicContact CD1-CG2 4.19Å; I182-V283 HydrophobicContact CG1-CG2 4.43Å
183	Y	97.8	Very high	96.5	Very high	30 Å²	30	26.7 Å²	26.7	12%	0.118	14%	0.139	C	C	.	.	H	α-helix	trans	-65.1	-46.4	-178	-174.9	-151	0	0	0	111.8	I127 V131 A179 G180 I181 N185 Y186 L187 A215 I218	I127-Y183 HydrophobicContact CD1-CD1 4.32Å; I127-Y183 HydrophobicContact CG1-CD1 4.18Å; I127-Y183 HydrophobicContact CG2-CD1 4.38Å; I127-Y183 HydrophobicContact CG2-CE1 4.24Å; V131-Y183 HydrophobicContact CG2-CE1 4.5Å; A179-Y183 VanDerWaalsContact O-CB 3.3Å; A179-Y183 WeakPolarHBondContact O-CB 3.35Å; A179-Y183 PolarHBondContact O-N 2.84Å; G180-Y183 PolarHBondContact O-N 2.75Å; I181-Y183 VanDerWaalsContact C-N 3.32Å; Y183-N185 PolarHBondContact O-N 3.42Å; Y183-Y186 WeakPolarHBondContact O-CB 3.33Å; Y183-Y186 PolarHBondContact O-N 2.93Å; Y183-Y186 VanDerWaalsContact O-N 3.13Å; Y183-L187 HydrophobicContact CD2-CD1 4.12Å; Y183-L187 HydrophobicContact CD2-CD2 4.4Å; Y183-L187 HydrophobicContact CD2-CG 3.96Å; Y183-L187 HydrophobicContact CE1-CD1 4.27Å; Y183-L187 HydrophobicContact CE2-CD1 3.84Å; Y183-L187 HydrophobicContact CE2-CD2 3.71Å; Y183-L187 HydrophobicContact CE2-CG 3.72Å; Y183-L187 HydrophobicContact CG-CD1 4.45Å; Y183-L187 WeakPolarHBondContact O-CG 3.48Å; Y183-L187 PolarHBondContact O-N 3.48Å; Y183-A215 HydrophobicContact CD1-CB 4.09Å; Y183-A215 HydrophobicContact CD2-CB 3.69Å; Y183-A215 HydrophobicContact CE2-CB 4.18Å; Y183-A215 HydrophobicContact CG-CB 3.65Å; Y183-I218 HydrophobicContact CD2-CD1 4.22Å
184	E	97.8	Very high	96.9	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-55.7	-50.5	174.9	177.5	57.6	-161.4	0	0	111.4	Y123 I125 S126 I127 G180 Y186 L187 L188	Y123-E184 HydrophobicContact CE1-CG 4.44Å; Y123-E184 PolarHBondContact OH-OE1 3.26Å; I125-E184 HydrophobicContact CG1-CG 4.26Å; I125-E184 VanDerWaalsContact CG1-OE2 3.23Å; I125-E184 WeakPolarHBondContact CG1-OE2 3.33Å; S126-E184 WeakPolarHBondContact CA-OE2 3.45Å; S126-E184 VanDerWaalsContact CB-OE1 3.26Å; S126-E184 WeakPolarHBondContact CB-OE1 3.46Å; S126-E184 WeakPolarHBondContact CB-OE2 3.23Å; S126-E184 VanDerWaalsContact N-CD 3.26Å; S126-E184 PolarHBondContact N-OE1 3.45Å; S126-E184 PolarHBondContact N-OE2 3.47Å; S126-E184 PolarHBondContact OG-OE1 3.41Å; I127-E184 HydrophobicContact CD1-CB 4.44Å; I127-E184 HydrophobicContact CG1-CB 4.25Å; I127-E184 WeakPolarHBondContact CG1-OE2 3.48Å; I127-E184 PolarHBondContact N-OE2 2.99Å; G180-E184 PolarHBondContact O-N 2.95Å; E184-Y186 VanDerWaalsContact C-N 3.29Å; E184-Y186 PolarHBondContact O-N 3.29Å; E184-L187 WeakPolarHBondContact O-CB 3.42Å; E184-L187 PolarHBondContact O-N 2.9Å; E184-L187 VanDerWaalsContact O-N 3.15Å; E184-L188 HydrophobicContact CG-CD1 4.34Å; E184-L188 WeakPolarHBondContact O-CG 3.1Å; E184-L188 PolarHBondContact O-N 3.08Å
185	N	97.9	Very high	97.1	Very high	1 Å²	1	25.2 Å²	25.2	1%	0.005	13%	0.128	C	C	.	.	H	α-helix	trans	-64.4	-35.8	178.4	-80.2	-84.7	0	0	0	112.1	I181 I182 Y183 L188 G189 R190 V281 R319	I181-N185 PolarHBondContact O-N 2.84Å; I181-N185 PolarHBondContact O-ND2 2.84Å; I182-N185 PolarHBondContact O-N 3.07Å; Y183-N185 PolarHBondContact O-N 3.42Å; N185-L188 PolarHBondContact O-N 3.45Å; N185-G189 PolarHBondContact O-N 3.32Å; N185-R190 HydrophobicContact CB-CB 4.21Å; N185-R190 WeakPolarHBondContact O-CA 3.43Å; N185-R190 VanDerWaalsContact O-CB 3.29Å; N185-R190 WeakPolarHBondContact O-CB 3.34Å; N185-R190 PolarHBondContact O-N 3.17Å; N185-R190 VanDerWaalsContact OD1-CD 3.27Å; N185-R190 WeakPolarHBondContact OD1-CD 3.34Å; N185-R190 PolarHBondContact OD1-NH1 3.04Å; N185-V281 HydrophobicContact CB-CG2 3.57Å; N185-V281 WeakPolarHBondContact ND2-CG2 3.31Å; N185-R319 VanDerWaalsContact OD1-CD 3.25Å; N185-R319 WeakPolarHBondContact OD1-CD 3.36Å
186	Y	97.5	Very high	97.2	Very high	33 Å²	33	24.5 Å²	24.5	13%	0.129	12%	0.12	C	C	.	.	H	α-helix	trans	-62.6	-44.2	174.1	-167.1	-86.7	0	0	0	110.8	I182 Y183 E184 L188 G189 K191 I218	I182-Y186 VanDerWaalsContact O-CB 3.3Å; I182-Y186 WeakPolarHBondContact O-CB 3.25Å; I182-Y186 PolarHBondContact O-N 3.32Å; Y183-Y186 WeakPolarHBondContact O-CB 3.33Å; Y183-Y186 PolarHBondContact O-N 2.93Å; Y183-Y186 VanDerWaalsContact O-N 3.13Å; E184-Y186 VanDerWaalsContact C-N 3.29Å; E184-Y186 PolarHBondContact O-N 3.29Å; Y186-L188 VanDerWaalsContact C-N 3.31Å; Y186-L188 PolarHBondContact O-N 3.2Å; Y186-G189 PolarHBondContact O-N 2.86Å; Y186-G189 VanDerWaalsContact O-N 3.13Å; Y186-K191 HydrophobicContact CD1-CD 3.73Å; Y186-K191 HydrophobicContact CD2-CB 4.23Å; Y186-K191 HydrophobicContact CD2-CD 3.72Å; Y186-K191 HydrophobicContact CE1-CD 3.62Å; Y186-K191 HydrophobicContact CE2-CB 3.96Å; Y186-K191 HydrophobicContact CE2-CD 3.63Å; Y186-K191 HydrophobicContact CE2-CG 4.34Å; Y186-K191 HydrophobicContact CG-CD 3.77Å; Y186-K191 VanDerWaalsContact O-CD 3.29Å; Y186-K191 WeakPolarHBondContact O-CD 3.46Å; Y186-K191 VanDerWaalsContact O-CE 3.22Å; Y186-K191 WeakPolarHBondContact O-CE 3.46Å; Y186-K191 PolarHBondContact O-NZ 3.47Å; Y186-I218 HydrophobicContact CD1-CD1 4.04Å; Y186-I218 HydrophobicContact CD1-CG1 4.19Å; Y186-I218 HydrophobicContact CD2-CD1 3.75Å; Y186-I218 HydrophobicContact CD2-CG1 3.95Å; Y186-I218 HydrophobicContact CD2-CG2 4.36Å; Y186-I218 HydrophobicContact CE1-CG1 4.29Å; Y186-I218 HydrophobicContact CE2-CD1 4.35Å; Y186-I218 HydrophobicContact CE2-CG1 4.04Å; Y186-I218 HydrophobicContact CE2-CG2 4.36Å; Y186-I218 HydrophobicContact CG-CD1 3.56Å; Y186-I218 HydrophobicContact CG-CG1 4.03Å
187	L	96.6	Very high	97.1	Very high	65 Å²	65	22.3 Å²	22.3	34%	0.34	11%	0.112	S	C	.	.	H	α-helix	trans	-60.7	-40.8	177.4	-68.3	171.6	0	0	0	111.5	I127 Y183 E184 G189	I127-L187 HydrophobicContact CG1-CD1 4.39Å; Y183-L187 HydrophobicContact CD2-CD1 4.12Å; Y183-L187 HydrophobicContact CD2-CD2 4.4Å; Y183-L187 HydrophobicContact CD2-CG 3.96Å; Y183-L187 HydrophobicContact CE1-CD1 4.27Å; Y183-L187 HydrophobicContact CE2-CD1 3.84Å; Y183-L187 HydrophobicContact CE2-CD2 3.71Å; Y183-L187 HydrophobicContact CE2-CG 3.72Å; Y183-L187 HydrophobicContact CG-CD1 4.45Å; Y183-L187 WeakPolarHBondContact O-CG 3.48Å; Y183-L187 PolarHBondContact O-N 3.48Å; E184-L187 WeakPolarHBondContact O-CB 3.42Å; E184-L187 PolarHBondContact O-N 2.9Å; E184-L187 VanDerWaalsContact O-N 3.15Å; L187-G189 PolarHBondContact O-N 3.12Å
188	L	96.6	Very high	96.4	Very high	80 Å²	80	24 Å²	24	42%	0.419	12%	0.123	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73	12.1	175.1	-65.9	175.4	0	0	0	115.2	Y123 S126 E184 N185 Y186	Y123-L188 WeakPolarHBondContact OH-CD1 3.25Å; S126-L188 WeakPolarHBondContact OG-CD2 3.5Å; E184-L188 HydrophobicContact CG-CD1 4.34Å; E184-L188 WeakPolarHBondContact O-CG 3.1Å; E184-L188 PolarHBondContact O-N 3.08Å; N185-L188 PolarHBondContact O-N 3.45Å; Y186-L188 VanDerWaalsContact C-N 3.31Å; Y186-L188 PolarHBondContact O-N 3.2Å
189	G	95.4	Very high	95.5	Very high	48 Å²	48	24.6 Å²	24.6	50%	0.495	13%	0.127	S	C	.	.	T	Hydrogen-bonded Turn	trans	90.5	-7.1	174.7	0	0	0	0	0	115.2	N185 Y186 L187 K191	N185-G189 PolarHBondContact O-N 3.32Å; Y186-G189 PolarHBondContact O-N 2.86Å; Y186-G189 VanDerWaalsContact O-N 3.13Å; L187-G189 PolarHBondContact O-N 3.12Å; G189-K191 VanDerWaalsContact C-N 3.27Å; G189-K191 WeakPolarHBondContact O-CG 3.48Å; G189-K191 PolarHBondContact O-N 2.75Å
190	R	97.2	Very high	94.7	Very high	43 Å²	43	26.1 Å²	26.1	16%	0.162	14%	0.137	C	C	.	.			trans	-80.6	74.7	176.2	-59.5	167.5	-177.5	137	12.7	110.1	N185 R192 D279	N185-R190 HydrophobicContact CB-CB 4.21Å; N185-R190 WeakPolarHBondContact O-CA 3.43Å; N185-R190 VanDerWaalsContact O-CB 3.29Å; N185-R190 WeakPolarHBondContact O-CB 3.34Å; N185-R190 PolarHBondContact O-N 3.17Å; N185-R190 VanDerWaalsContact OD1-CD 3.27Å; N185-R190 WeakPolarHBondContact OD1-CD 3.34Å; N185-R190 PolarHBondContact OD1-NH1 3.04Å; R190-R192 PolarHBondContact O-N 2.88Å; R190-D279 WeakPolarHBondContact CD-O 3.44Å; R190-D279 IonicContact CZ-OD2 3.01Å; R190-D279 IonicContact NE-OD2 2.8Å; R190-D279 PolarHBondContact NE-OD2 2.99Å
191	K	97	Very high	93.6	Very high	74 Å²	74	27 Å²	27	32%	0.322	14%	0.142	S	C	.	.			trans	-76.8	3.1	-170	-53.6	-57.4	-174	179.3	0	115.5	Y186 G189 K241 G242	Y186-K191 HydrophobicContact CD1-CD 3.73Å; Y186-K191 HydrophobicContact CD2-CB 4.23Å; Y186-K191 HydrophobicContact CD2-CD 3.72Å; Y186-K191 HydrophobicContact CE1-CD 3.62Å; Y186-K191 HydrophobicContact CE2-CB 3.96Å; Y186-K191 HydrophobicContact CE2-CD 3.63Å; Y186-K191 HydrophobicContact CE2-CG 4.34Å; Y186-K191 HydrophobicContact CG-CD 3.77Å; Y186-K191 VanDerWaalsContact O-CD 3.29Å; Y186-K191 WeakPolarHBondContact O-CD 3.46Å; Y186-K191 VanDerWaalsContact O-CE 3.22Å; Y186-K191 WeakPolarHBondContact O-CE 3.46Å; Y186-K191 PolarHBondContact O-NZ 3.47Å; G189-K191 VanDerWaalsContact C-N 3.27Å; G189-K191 WeakPolarHBondContact O-CG 3.48Å; G189-K191 PolarHBondContact O-N 2.75Å; K191-K241 HydrophobicContact CB-CB 3.94Å; K191-K241 WeakPolarHBondContact O-CB 3.23Å; K191-G242 PolarHBondContact O-N 3.19Å
192	R	97.6	Very high	93	Very high	88 Å²	88	28 Å²	28	33%	0.332	15%	0.147	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	122.9	-177.7	-71.8	-176.6	-66.9	-178.6	-0.4	109.3	R190 W272 C273 F278	R190-R192 PolarHBondContact O-N 2.88Å; R192-W272 HydrophobicContact CB-CH2 3.56Å; R192-W272 HydrophobicContact CB-CZ2 4.14Å; R192-W272 HydrophobicContact CB-CZ3 3.86Å; R192-W272 HydrophobicContact CG-CH2 3.72Å; R192-W272 HydrophobicContact CG-CZ2 3.74Å; R192-W272 HydrophobicContact CG-CZ3 4.28Å; R192-W272 PolarHBondContact NH1-O 2.8Å; R192-C273 PolarHBondContact NH1-O 3.18Å; R192-C273 VanDerWaalsContact NH1-O 3.14Å; R192-C273 PolarHBondContact NH2-O 2.98Å; R192-F278 HydrophobicContact CB-CE2 3.87Å; R192-F278 HydrophobicContact CB-CZ 4.48Å
193	S	98.1	Very high	92.6	Very high	2 Å²	2	29.3 Å²	29.3	1%	0.014	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	154.2	176.5	-61.7	0	0	0	0	111.1	G242 V243 I244 V281	S193-G242 PolarHBondContact N-O 3.32Å; S193-V243 WeakPolarHBondContact O-CA 3.48Å; S193-I244 PolarHBondContact O-N 3.17Å; S193-V281 CarbonylContact C-O 3.59Å; S193-V281 VanDerWaalsContact CA-O 3.23Å; S193-V281 WeakPolarHBondContact CA-O 3.05Å
194	I	98	Very high	92	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	135.1	174.3	-57.6	175	0	0	0	108.4	F196 I244 L269 W272 V281 I282 V283	I194-F196 HydrophobicContact CB-CE2 4.4Å; I194-F196 HydrophobicContact CG2-CD2 3.84Å; I194-F196 HydrophobicContact CG2-CE1 4.18Å; I194-F196 HydrophobicContact CG2-CE2 3.34Å; I194-F196 HydrophobicContact CG2-CG 4.46Å; I194-F196 HydrophobicContact CG2-CZ 3.55Å; I194-I244 CarbonylContact C-O 3.57Å; I194-I244 WeakPolarHBondContact CA-O 3.19Å; I194-L269 HydrophobicContact CD1-CB 4.48Å; I194-L269 HydrophobicContact CD1-CD2 4.28Å; I194-W272 HydrophobicContact CG1-CZ3 4.12Å; I194-V281 PolarHBondContact N-O 3.19Å; I194-I282 HydrophobicContact CB-CG1 4.48Å; I194-I282 HydrophobicContact CB-CG2 4.41Å; I194-I282 WeakPolarHBondContact O-CA 3.46Å; I194-V283 PolarHBondContact O-N 2.81Å
195	W	97.8	Very high	91.5	Very high	4 Å²	4	33.3 Å²	33.3	2%	0.015	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	107.2	176.6	-168.8	-28.1	0	0	0	109.4	I178 I182 A206 V243 I244 F245 A246 V283	I178-W195 HydrophobicContact CB-CH2 3.95Å; I178-W195 HydrophobicContact CB-CZ2 4.03Å; I178-W195 HydrophobicContact CB-CZ3 4.47Å; I178-W195 HydrophobicContact CD1-CZ2 4.02Å; I178-W195 HydrophobicContact CG2-CD2 3.94Å; I178-W195 HydrophobicContact CG2-CE3 3.87Å; I178-W195 HydrophobicContact CG2-CH2 3.55Å; I178-W195 HydrophobicContact CG2-CZ2 3.62Å; I178-W195 HydrophobicContact CG2-CZ3 3.68Å; I182-W195 HydrophobicContact CD1-CD2 4.47Å; I182-W195 HydrophobicContact CD1-CE3 3.59Å; I182-W195 HydrophobicContact CD1-CZ3 4Å; W195-A206 HydrophobicContact CD2-CB 4.1Å; W195-A206 HydrophobicContact CE3-CB 3.82Å; W195-A206 HydrophobicContact CH2-CB 3.72Å; W195-A206 HydrophobicContact CZ2-CB 4Å; W195-A206 HydrophobicContact CZ3-CB 3.63Å; W195-V243 HydrophobicContact CB-CG1 3.78Å; W195-V243 HydrophobicContact CE3-CG1 4.47Å; W195-I244 PolarHBondContact N-O 3.41Å; W195-F245 HydrophobicContact CB-CD2 4.01Å; W195-F245 AromaticContact CD1-CE2 3.85Å; W195-F245 HydrophobicContact CD2-CD2 4.35Å; W195-F245 HydrophobicContact CD2-CE2 4.33Å; W195-F245 AromaticContact CG-CD2 3.92Å; W195-F245 HydrophobicContact CG-CD2 3.92Å; W195-F245 HydrophobicContact CG-CE2 4.01Å; W195-F245 WeakPolarHBondContact O-CA 3.42Å; W195-A246 PolarHBondContact O-N 3.49Å; W195-V283 HydrophobicContact CG-CB 4.27Å
196	F	95.7	Very high	91.2	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	134.4	172.2	-66.1	-73.6	0	0	0	110.9	I194 A246 Y248 L251 L269 I282 V283 L284 D285 L311	I194-F196 HydrophobicContact CB-CE2 4.4Å; I194-F196 HydrophobicContact CG2-CD2 3.84Å; I194-F196 HydrophobicContact CG2-CE1 4.18Å; I194-F196 HydrophobicContact CG2-CE2 3.34Å; I194-F196 HydrophobicContact CG2-CG 4.46Å; I194-F196 HydrophobicContact CG2-CZ 3.55Å; F196-A246 CarbonylContact C-O 3.58Å; F196-A246 WeakPolarHBondContact CA-O 3.46Å; F196-A246 HydrophobicContact CD1-CB 3.63Å; F196-A246 HydrophobicContact CE1-CB 3.6Å; F196-Y248 HydrophobicContact CB-CE1 4.18Å; F196-L251 HydrophobicContact CD1-CB 4.46Å; F196-L251 HydrophobicContact CD1-CD2 4.3Å; F196-L251 HydrophobicContact CE1-CB 3.96Å; F196-L251 HydrophobicContact CE1-CD1 3.78Å; F196-L251 HydrophobicContact CE1-CD2 3.8Å; F196-L251 HydrophobicContact CE1-CG 4.04Å; F196-L251 HydrophobicContact CZ-CD1 3.86Å; F196-L251 HydrophobicContact CZ-CD2 3.99Å; F196-L251 HydrophobicContact CZ-CG 4.41Å; F196-L269 HydrophobicContact CE1-CD1 4.15Å; F196-L269 HydrophobicContact CZ-CD1 3.81Å; F196-I282 HydrophobicContact CD2-CG2 4.16Å; F196-I282 HydrophobicContact CE2-CG2 3.98Å; F196-V283 PolarHBondContact N-O 2.81Å; F196-L284 HydrophobicContact CB-CD2 4.22Å; F196-L284 HydrophobicContact CD2-CD2 3.68Å; F196-L284 HydrophobicContact CE2-CD2 4.45Å; F196-L284 HydrophobicContact CG-CD2 4.25Å; F196-D285 WeakPolarHBondContact O-CA 3.4Å; F196-D285 WeakPolarHBondContact O-CB 3.48Å; F196-D285 PolarHBondContact O-N 2.9Å; F196-L311 HydrophobicContact CE2-CD2 3.44Å; F196-L311 VanDerWaalsContact CE2-CD2 3.44Å; F196-L311 HydrophobicContact CZ-CD2 3.8Å
197	S	91.7	Very high	91.1	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	-173.9	172.3	-161	0	0	0	0	111.5	L202 A246 T247 Y248 D285	S197-L202 WeakPolarHBondContact OG-CD1 3.23Å; S197-A246 PolarHBondContact N-O 3.03Å; S197-T247 VanDerWaalsContact O-CA 3.23Å; S197-T247 WeakPolarHBondContact O-CA 3.2Å; S197-Y248 VanDerWaalsContact O-CD2 3.24Å; S197-Y248 WeakPolarHBondContact O-CD2 3.3Å; S197-Y248 PolarHBondContact O-N 2.85Å; S197-D285 PolarHBondContact OG-OD2 3.24Å
198	V	82.1	Confident	90.8	Very high	36 Å²	36	35.2 Å²	35.2	22%	0.218	18%	0.175	C	C	.	.	S	Bend	trans	-81	-37.8	-172.7	-74.1	0	0	0	0	114.6	L202 E286 R289	V198-L202 HydrophobicContact CG2-CD1 3.44Å; V198-L202 VanDerWaalsContact CG2-CD1 3.44Å; V198-E286 HydrophobicContact CG1-CB 3.68Å; V198-E286 HydrophobicContact CG1-CG 4.37Å; V198-E286 HydrophobicContact CG2-CG 4.45Å; V198-R289 HydrophobicContact CG1-CG 3.58Å
199	S	79.7	Confident	90.7	Very high	12 Å²	12	32.1 Å²	32.1	8%	0.084	16%	0.159	C	C	.	.			trans	-127.3	151.3	-174.7	176.8	0	0	0	0	110.9	D201 L202 F245	S199-D201 PolarHBondContact O-N 2.76Å; S199-D201 PolarHBondContact OG-N 2.9Å; S199-D201 VanDerWaalsContact OG-N 3.16Å; S199-D201 PolarHBondContact OG-OD2 2.97Å; S199-D201 VanDerWaalsContact OG-OD2 3.09Å; S199-L202 PolarHBondContact O-N 3.3Å; S199-F245 WeakPolarHBondContact O-CE1 3.4Å
200	S	80.6	Confident	90.7	Very high	32 Å²	32	29.9 Å²	29.9	22%	0.224	14%	0.136	C	C	.	.	S	Bend	trans	-62.9	-30.2	170.1	28.3	0	0	0	0	112	L202 K203 T247 E775	S200-L202 PolarHBondContact O-N 3.34Å; S200-K203 WeakPolarHBondContact O-CB 3.42Å; S200-K203 PolarHBondContact O-N 2.7Å; S200-T247 VanDerWaalsContact N-CG2 3.35Å; S200-E775 VanDerWaalsContact CB-OE1 3.29Å; S200-E775 WeakPolarHBondContact CB-OE1 3.2Å; S200-E775 PolarHBondContact OG-OE1 3.34Å
201	D	75	Confident	90.6	Very high	18 Å²	18	29.5 Å²	29.5	10%	0.096	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-35.6	179	-58.8	-39.2	0	0	0	112.3	S199 K203 Y204	S199-D201 PolarHBondContact O-N 2.76Å; S199-D201 PolarHBondContact OG-N 2.9Å; S199-D201 VanDerWaalsContact OG-N 3.16Å; S199-D201 PolarHBondContact OG-OD2 2.97Å; S199-D201 VanDerWaalsContact OG-OD2 3.09Å; D201-K203 PolarHBondContact O-N 3.05Å; D201-Y204 PolarHBondContact O-N 3.34Å
202	L	84.6	Confident	90.3	Very high	21 Å²	21	27.9 Å²	27.9	11%	0.11	14%	0.136	C	C	.	.	H	α-helix	trans	-64.4	-11.7	179.5	-77.3	171.3	0	0	0	113.1	S197 V198 S199 S200 Y204 D205 A206 F245	S197-L202 WeakPolarHBondContact OG-CD1 3.23Å; V198-L202 HydrophobicContact CG2-CD1 3.44Å; V198-L202 VanDerWaalsContact CG2-CD1 3.44Å; S199-L202 PolarHBondContact O-N 3.3Å; S200-L202 PolarHBondContact O-N 3.34Å; L202-Y204 VanDerWaalsContact C-N 3.3Å; L202-Y204 PolarHBondContact O-N 3.02Å; L202-D205 HydrophobicContact CD2-CB 4.17Å; L202-D205 PolarHBondContact O-N 2.94Å; L202-A206 WeakPolarHBondContact O-CB 3.49Å; L202-A206 PolarHBondContact O-N 2.95Å; L202-F245 VanDerWaalsContact C-CZ 3.41Å; L202-F245 HydrophobicContact CB-CE1 4.46Å; L202-F245 HydrophobicContact CB-CZ 3.69Å
203	K	89	Confident	90.2	Very high	28 Å²	28	23.7 Å²	23.7	12%	0.122	12%	0.121	C	C	.	.	H	α-helix	trans	-59.7	-42.5	170.1	-176.3	-154.8	172.4	-163.7	0	111.4	S200 D201 D205 A206 Q207 V220 A222 F245	S200-K203 WeakPolarHBondContact O-CB 3.42Å; S200-K203 PolarHBondContact O-N 2.7Å; D201-K203 PolarHBondContact O-N 3.05Å; K203-D205 VanDerWaalsContact C-N 3.33Å; K203-A206 PolarHBondContact O-N 2.99Å; K203-Q207 WeakPolarHBondContact O-CG 3.45Å; K203-Q207 PolarHBondContact O-N 2.74Å; K203-V220 WeakPolarHBondContact CE-O 3.49Å; K203-V220 HydrophobicContact CG-CG1 3.85Å; K203-A222 HydrophobicContact CD-CB 3.98Å; K203-F245 HydrophobicContact CB-CD1 3.63Å; K203-F245 HydrophobicContact CB-CD2 4.4Å; K203-F245 HydrophobicContact CB-CE1 3.87Å; K203-F245 HydrophobicContact CB-CG 3.92Å; K203-F245 HydrophobicContact CB-CZ 4.35Å; K203-F245 HydrophobicContact CG-CB 4.07Å; K203-F245 HydrophobicContact CG-CD1 4.11Å; K203-F245 HydrophobicContact CG-CG 4.01Å; K203-F245 VanDerWaalsContact N-CZ 3.32Å
204	Y	86.7	Confident	89.9	Confident	98 Å²	98	24.6 Å²	24.6	38%	0.384	13%	0.131	S	C	.	.	H	α-helix	trans	-70.5	-34.4	-179.7	-60.1	-71.8	0	0	0	111	D201 L202 Q207 R208	D201-Y204 PolarHBondContact O-N 3.34Å; L202-Y204 VanDerWaalsContact C-N 3.3Å; L202-Y204 PolarHBondContact O-N 3.02Å; Y204-Q207 PolarHBondContact O-N 3.24Å; Y204-R208 PolarHBondContact O-N 3.36Å
205	D	87	Confident	89.8	Confident	17 Å²	17	24.7 Å²	24.7	9%	0.091	13%	0.131	C	C	.	.	H	α-helix	trans	-64	-42.7	170.6	-80.5	-17.2	0	0	0	111.5	L202 K203 Q207 R208 D209	L202-D205 HydrophobicContact CD2-CB 4.17Å; L202-D205 PolarHBondContact O-N 2.94Å; K203-D205 VanDerWaalsContact C-N 3.33Å; D205-Q207 VanDerWaalsContact C-N 3.34Å; D205-Q207 PolarHBondContact O-N 3.26Å; D205-R208 WeakPolarHBondContact O-CB 3.45Å; D205-R208 PolarHBondContact O-N 3.1Å; D205-R208 IonicContact OD1-CZ 3.26Å; D205-R208 IonicContact OD1-NH1 3.27Å; D205-R208 PolarHBondContact OD1-NH1 3.08Å; D205-R208 IonicContact OD1-NH2 3.89Å; D205-D209 WeakPolarHBondContact O-CB 3.45Å; D205-D209 PolarHBondContact O-N 2.91Å
206	A	92.3	Very high	89.5	Confident	1 Å²	1	31.1 Å²	31.1	1%	0.008	16%	0.162	C	C	.	.	H	α-helix	trans	-63	-38	174.6	0	0	0	0	0	112.7	W195 L202 K203 D209 L210 F245	W195-A206 HydrophobicContact CD2-CB 4.1Å; W195-A206 HydrophobicContact CE3-CB 3.82Å; W195-A206 HydrophobicContact CH2-CB 3.72Å; W195-A206 HydrophobicContact CZ2-CB 4Å; W195-A206 HydrophobicContact CZ3-CB 3.63Å; L202-A206 WeakPolarHBondContact O-CB 3.49Å; L202-A206 PolarHBondContact O-N 2.95Å; K203-A206 PolarHBondContact O-N 2.99Å; A206-D209 PolarHBondContact O-N 2.96Å; A206-L210 WeakPolarHBondContact O-CG 3.1Å; A206-L210 PolarHBondContact O-N 3.19Å; A206-F245 HydrophobicContact CB-CD2 3.98Å; A206-F245 HydrophobicContact CB-CE2 3.87Å
207	Q	93.7	Very high	89.4	Confident	71 Å²	71	39.7 Å²	39.7	33%	0.332	20%	0.199	S	C	.	.	H	α-helix	trans	-63.8	-46.3	173.6	-76	177.3	-25.1	0	0	111.8	K203 Y204 D205 L210 A211 V220	K203-Q207 WeakPolarHBondContact O-CG 3.45Å; K203-Q207 PolarHBondContact O-N 2.74Å; Y204-Q207 PolarHBondContact O-N 3.24Å; D205-Q207 VanDerWaalsContact C-N 3.34Å; D205-Q207 PolarHBondContact O-N 3.26Å; Q207-L210 PolarHBondContact O-N 3.36Å; Q207-A211 PolarHBondContact O-N 2.73Å; Q207-V220 HydrophobicContact CG-CB 3.57Å; Q207-V220 HydrophobicContact CG-CG1 4.26Å; Q207-V220 HydrophobicContact CG-CG2 3.58Å; Q207-V220 PolarHBondContact NE2-O 3.48Å
208	R	91.1	Very high	89.6	Confident	67 Å²	67	40 Å²	40	25%	0.253	20%	0.201	S	C	.	.	H	α-helix	trans	-58.7	-48.1	174	179	-157.6	65	-134.3	-11.6	110.6	Y204 D205 L210 A211 D212	Y204-R208 PolarHBondContact O-N 3.36Å; D205-R208 WeakPolarHBondContact O-CB 3.45Å; D205-R208 PolarHBondContact O-N 3.1Å; D205-R208 IonicContact OD1-CZ 3.26Å; D205-R208 IonicContact OD1-NH1 3.27Å; D205-R208 PolarHBondContact OD1-NH1 3.08Å; D205-R208 IonicContact OD1-NH2 3.89Å; R208-L210 VanDerWaalsContact C-N 3.3Å; R208-L210 PolarHBondContact O-N 2.94Å; R208-A211 CarbonylContact O-C 3.58Å; R208-A211 WeakPolarHBondContact O-CA 3.39Å; R208-A211 WeakPolarHBondContact O-CB 3.22Å; R208-A211 PolarHBondContact O-N 2.65Å; R208-D212 WeakPolarHBondContact O-CB 3.41Å; R208-D212 PolarHBondContact O-N 3.2Å
209	D	94.3	Very high	90.3	Very high	14 Å²	14	45.4 Å²	45.4	8%	0.075	22%	0.221	C	C	.	.	H	α-helix	trans	-65.4	-34.8	-175.3	-68.1	-17.5	0	0	0	111.9	G175 R176 A179 D205 A206 V213	G175-D209 VanDerWaalsContact CA-OD2 3.25Å; G175-D209 WeakPolarHBondContact CA-OD2 3.49Å; R176-D209 HydrophobicContact CG-CB 4.27Å; A179-D209 HydrophobicContact CB-CB 4.23Å; D205-D209 WeakPolarHBondContact O-CB 3.45Å; D205-D209 PolarHBondContact O-N 2.91Å; A206-D209 PolarHBondContact O-N 2.96Å; D209-V213 WeakPolarHBondContact O-CG1 3.1Å; D209-V213 WeakPolarHBondContact O-CG2 3.3Å; D209-V213 PolarHBondContact O-N 3.23Å
210	L	96.7	Very high	91.1	Very high	2 Å²	2	45.3 Å²	45.3	1%	0.01	22%	0.22	C	C	.	.	H	α-helix	trans	-63.5	-42.4	168.8	-77	164.2	0	0	0	112.2	A179 I182 A206 Q207 R208 V213 G214 A215 I218 V220 V243	A179-L210 HydrophobicContact CB-CD2 3.9Å; A179-L210 HydrophobicContact CB-CG 4.07Å; I182-L210 HydrophobicContact CG2-CD2 4.31Å; A206-L210 WeakPolarHBondContact O-CG 3.1Å; A206-L210 PolarHBondContact O-N 3.19Å; Q207-L210 PolarHBondContact O-N 3.36Å; R208-L210 VanDerWaalsContact C-N 3.3Å; R208-L210 PolarHBondContact O-N 2.94Å; L210-V213 WeakPolarHBondContact O-CG2 3.18Å; L210-G214 PolarHBondContact O-N 2.94Å; L210-A215 HydrophobicContact CB-CB 4.45Å; L210-A215 HydrophobicContact CD2-CB 3.96Å; L210-A215 CarbonylContact O-C 3.57Å; L210-A215 VanDerWaalsContact O-CA 3.25Å; L210-A215 WeakPolarHBondContact O-CA 3.46Å; L210-A215 WeakPolarHBondContact O-CB 3.38Å; L210-A215 PolarHBondContact O-N 2.84Å; L210-I218 HydrophobicContact CD2-CD1 4.38Å; L210-V220 HydrophobicContact CD1-CG2 3.41Å; L210-V220 VanDerWaalsContact CD1-CG2 3.41Å; L210-V243 HydrophobicContact CD1-CG2 4.28Å
211	A	94.7	Very high	91.8	Very high	34 Å²	34	46 Å²	46	28%	0.281	22%	0.219	S	C	.	.	H	α-helix	trans	-66.1	-43.7	176.7	0	0	0	0	0	112.3	Q207 R208 V213 G214 E216	Q207-A211 PolarHBondContact O-N 2.73Å; R208-A211 CarbonylContact O-C 3.58Å; R208-A211 WeakPolarHBondContact O-CA 3.39Å; R208-A211 WeakPolarHBondContact O-CB 3.22Å; R208-A211 PolarHBondContact O-N 2.65Å; A211-V213 PolarHBondContact O-N 3.16Å; A211-G214 PolarHBondContact O-N 3.17Å; A211-E216 HydrophobicContact CB-CB 4.08Å
212	D	91.3	Very high	92.6	Very high	40 Å²	40	45.6 Å²	45.6	21%	0.214	22%	0.219	C	C	.	.	H	α-helix	trans	-55.9	-39.2	178.6	-80.6	-3	0	0	0	110.9	R136 R176 R208 G214 R810	R136-D212 WeakPolarHBondContact CB-O 3.31Å; R136-D212 WeakPolarHBondContact CD-O 3.38Å; R136-D212 WeakPolarHBondContact CG-O 3.45Å; R176-D212 IonicContact CZ-OD2 2.63Å; R176-D212 VanDerWaalsContact CZ-OD2 3.3Å; R176-D212 IonicContact NE-OD2 3.47Å; R176-D212 PolarHBondContact NE-OD2 3.28Å; R176-D212 VanDerWaalsContact NE-OD2 3.07Å; R176-D212 IonicContact NH2-OD2 3.41Å; R176-D212 PolarHBondContact NH2-OD2 3.5Å; R208-D212 WeakPolarHBondContact O-CB 3.41Å; R208-D212 PolarHBondContact O-N 3.2Å; D212-G214 VanDerWaalsContact C-N 3.31Å; D212-G214 PolarHBondContact O-N 3.37Å; D212-R810 IonicContact OD1-NH1 3.78Å; D212-R810 PolarHBondContact OD1-NH1 2.93Å; D212-R810 IonicContact OD2-NH1 3.87Å; D212-R810 PolarHBondContact OD2-NH1 3.15Å
213	V	93.9	Very high	93	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.1	7.1	177.8	-53.6	0	0	0	0	114.3	V131 L137 R176 A179 D209 L210 A211 A215	V131-V213 VanDerWaalsContact CG1-O 3.31Å; V131-V213 WeakPolarHBondContact CG1-O 3.45Å; L137-V213 HydrophobicContact CD2-CB 4.46Å; L137-V213 HydrophobicContact CD2-CG1 3.63Å; L137-V213 HydrophobicContact CG-CB 4.36Å; L137-V213 HydrophobicContact CG-CG1 3.99Å; R176-V213 HydrophobicContact CB-CG1 4.02Å; R176-V213 HydrophobicContact CG-CG1 4.34Å; A179-V213 HydrophobicContact CB-CG1 4.44Å; A179-V213 HydrophobicContact CB-CG2 3.85Å; D209-V213 WeakPolarHBondContact O-CG1 3.1Å; D209-V213 WeakPolarHBondContact O-CG2 3.3Å; D209-V213 PolarHBondContact O-N 3.23Å; L210-V213 WeakPolarHBondContact O-CG2 3.18Å; A211-V213 PolarHBondContact O-N 3.16Å; V213-A215 HydrophobicContact CG2-CB 4.03Å
214	G	93	Very high	93	Very high	22 Å²	22	47.1 Å²	47.1	23%	0.227	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	83.6	9.2	179.2	0	0	0	0	0	115.4	L210 A211 D212	L210-G214 PolarHBondContact O-N 2.94Å; A211-G214 PolarHBondContact O-N 3.17Å; D212-G214 VanDerWaalsContact C-N 3.31Å; D212-G214 PolarHBondContact O-N 3.37Å
215	A	95.2	Very high	93.1	Very high	2 Å²	2	49.3 Å²	49.3	2%	0.017	24%	0.24	C	C	.	.			trans	-99.3	26.3	-178.5	0	0	0	0	0	113.7	Y183 L210 V213 K217 I218	Y183-A215 HydrophobicContact CD1-CB 4.09Å; Y183-A215 HydrophobicContact CD2-CB 3.69Å; Y183-A215 HydrophobicContact CE2-CB 4.18Å; Y183-A215 HydrophobicContact CG-CB 3.65Å; L210-A215 HydrophobicContact CB-CB 4.45Å; L210-A215 HydrophobicContact CD2-CB 3.96Å; L210-A215 CarbonylContact O-C 3.57Å; L210-A215 VanDerWaalsContact O-CA 3.25Å; L210-A215 WeakPolarHBondContact O-CA 3.46Å; L210-A215 WeakPolarHBondContact O-CB 3.38Å; L210-A215 PolarHBondContact O-N 2.84Å; V213-A215 HydrophobicContact CG2-CB 4.03Å; A215-K217 PolarHBondContact O-N 3.07Å; A215-I218 HydrophobicContact CB-CD1 3.96Å; A215-I218 HydrophobicContact CB-CG1 4.34Å; A215-I218 WeakPolarHBondContact O-CB 3.1Å; A215-I218 WeakPolarHBondContact O-CG1 3.33Å; A215-I218 PolarHBondContact O-N 3.12Å
216	E	92.5	Very high	93.3	Very high	139 Å²	139	49.2 Å²	49.2	65%	0.65	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.2	-24.2	-177.6	64.1	-171.9	-165	0	0	114.7	A211 I218	A211-E216 HydrophobicContact CB-CB 4.08Å; E216-I218 PolarHBondContact O-N 3.47Å
217	K	93	Very high	93.2	Very high	180 Å²	180	55.6 Å²	55.6	78%	0.783	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.5	-16.3	177	-64.1	178.5	-178.1	173.5	0	112.9	A215 K219	A215-K217 PolarHBondContact O-N 3.07Å; K217-K219 PolarHBondContact O-N 3.25Å
218	I	96.3	Very high	93.1	Very high	7 Å²	7	55.1 Å²	55.1	4%	0.036	26%	0.262	C	S	.	.	S	Bend	trans	-82.4	104.8	178	-54.8	-177.3	0	0	0	109	I182 Y183 Y186 L210 A215 E216 V243	I182-I218 HydrophobicContact CG2-CD1 4.35Å; Y183-I218 HydrophobicContact CD2-CD1 4.22Å; Y186-I218 HydrophobicContact CD1-CD1 4.04Å; Y186-I218 HydrophobicContact CD1-CG1 4.19Å; Y186-I218 HydrophobicContact CD2-CD1 3.75Å; Y186-I218 HydrophobicContact CD2-CG1 3.95Å; Y186-I218 HydrophobicContact CD2-CG2 4.36Å; Y186-I218 HydrophobicContact CE1-CG1 4.29Å; Y186-I218 HydrophobicContact CE2-CD1 4.35Å; Y186-I218 HydrophobicContact CE2-CG1 4.04Å; Y186-I218 HydrophobicContact CE2-CG2 4.36Å; Y186-I218 HydrophobicContact CG-CD1 3.56Å; Y186-I218 HydrophobicContact CG-CG1 4.03Å; L210-I218 HydrophobicContact CD2-CD1 4.38Å; A215-I218 HydrophobicContact CB-CD1 3.96Å; A215-I218 HydrophobicContact CB-CG1 4.34Å; A215-I218 WeakPolarHBondContact O-CB 3.1Å; A215-I218 WeakPolarHBondContact O-CG1 3.33Å; A215-I218 PolarHBondContact O-N 3.12Å; E216-I218 PolarHBondContact O-N 3.47Å; I218-V243 HydrophobicContact CG2-CG2 3.77Å
219	K	95.7	Very high	93.1	Very high	149 Å²	149	54 Å²	54	65%	0.648	26%	0.263	S	S	*	.			trans	-69.6	136.3	178.8	-64.2	-171.9	177.4	-174.6	0	111.7	K217 H221 G242 V243	K217-K219 PolarHBondContact O-N 3.25Å; K219-H221 WeakPolarHBondContact CB-NE2 3.3Å; K219-G242 WeakPolarHBondContact O-CA 3.39Å; K219-V243 PolarHBondContact O-N 2.97Å
220	V	96.3	Very high	93	Very high	10 Å²	10	57.8 Å²	57.8	6%	0.061	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	121.6	174.1	-173.8	0	0	0	0	109.9	K203 Q207 L210 V243 F245	K203-V220 WeakPolarHBondContact CE-O 3.49Å; K203-V220 HydrophobicContact CG-CG1 3.85Å; Q207-V220 HydrophobicContact CG-CB 3.57Å; Q207-V220 HydrophobicContact CG-CG1 4.26Å; Q207-V220 HydrophobicContact CG-CG2 3.58Å; Q207-V220 PolarHBondContact NE2-O 3.48Å; L210-V220 HydrophobicContact CD1-CG2 3.41Å; L210-V220 VanDerWaalsContact CD1-CG2 3.41Å; V220-V243 CarbonylContact C-O 3.38Å; V220-V243 WeakPolarHBondContact CA-O 3.37Å; V220-V243 HydrophobicContact CG1-CB 4.48Å; V220-V243 HydrophobicContact CG1-CG1 4.44Å; V220-V243 HydrophobicContact CG2-CB 4.27Å; V220-F245 HydrophobicContact CG1-CB 3.66Å; V220-F245 HydrophobicContact CG1-CG 4.41Å
221	H	95.1	Very high	92.7	Very high	45 Å²	45	57.8 Å²	57.8	21%	0.208	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	134.4	-177.2	-58.7	-84.5	0	0	0	110.7	K219 F226 V243 I244 F245	K219-H221 WeakPolarHBondContact CB-NE2 3.3Å; H221-F226 HydrophobicContact CB-CE2 4.13Å; H221-F226 HydrophobicContact CB-CZ 3.6Å; H221-V243 PolarHBondContact N-O 3.42Å; H221-I244 CarbonylContact O-C 3.48Å; H221-I244 WeakPolarHBondContact O-CA 3.37Å; H221-F245 PolarHBondContact O-N 2.91Å
222	A	93	Very high	92.6	Very high	10 Å²	10	57.9 Å²	57.9	8%	0.083	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	127.3	-178.7	0	0	0	0	0	110.9	K203 N224 K225 F245	K203-A222 HydrophobicContact CD-CB 3.98Å; A222-N224 VanDerWaalsContact C-N 3.34Å; A222-N224 VanDerWaalsContact CB-OD1 3.25Å; A222-N224 WeakPolarHBondContact CB-OD1 3.28Å; A222-N224 PolarHBondContact O-N 3.35Å; A222-K225 HydrophobicContact CB-CB 4.42Å; A222-K225 HydrophobicContact CB-CD 4.31Å; A222-K225 HydrophobicContact CB-CG 4.11Å; A222-K225 PolarHBondContact O-N 2.91Å; A222-F245 CarbonylContact C-O 3.55Å; A222-F245 WeakPolarHBondContact CA-O 3.36Å
223	L	92.7	Very high	92.5	Very high	0 Å²	0	56.9 Å²	56.9	0%	0	28%	0.276	C	S	.	.	G	3₁₀ helix	trans	-63.1	-38.6	-177.7	-179.5	61.4	0	0	0	113	K225 F226 I231 I244 F245 A246 R265 L269	L223-K225 PolarHBondContact O-N 3.39Å; L223-F226 HydrophobicContact CD1-CD2 4.11Å; L223-F226 PolarHBondContact O-N 2.81Å; L223-F226 VanDerWaalsContact O-N 3.1Å; L223-I231 HydrophobicContact CD1-CD1 4.33Å; L223-I244 HydrophobicContact CB-CG2 4.06Å; L223-I244 HydrophobicContact CD1-CG2 4.36Å; L223-F245 PolarHBondContact N-O 3.45Å; L223-A246 HydrophobicContact CB-CB 3.74Å; L223-A246 HydrophobicContact CD2-CB 3.53Å; L223-A246 HydrophobicContact CG-CB 4.3Å; L223-R265 HydrophobicContact CD2-CB 4.18Å; L223-R265 HydrophobicContact CD2-CG 4.46Å; L223-R265 PolarHBondContact O-NH1 3.48Å; L223-L269 HydrophobicContact CD1-CD2 3.97Å; L223-L269 HydrophobicContact CD1-CG 4.33Å; L223-L269 HydrophobicContact CD2-CD1 3.92Å; L223-L269 HydrophobicContact CD2-CD2 4.34Å; L223-L269 HydrophobicContact CD2-CG 4.27Å
224	N	87.8	Confident	92.3	Very high	81 Å²	81	66.3 Å²	66.3	43%	0.433	32%	0.317	S	S	.	.	G	3₁₀ helix	trans	-62	-27.8	178.7	63	-17.8	0	0	0	112.9	A222 F226	A222-N224 VanDerWaalsContact C-N 3.34Å; A222-N224 VanDerWaalsContact CB-OD1 3.25Å; A222-N224 WeakPolarHBondContact CB-OD1 3.28Å; A222-N224 PolarHBondContact O-N 3.35Å; N224-F226 VanDerWaalsContact C-N 3.32Å
225	K	89.3	Confident	92	Very high	145 Å²	145	71.3 Å²	71.3	63%	0.63	34%	0.335	S	S	*	.	G	3₁₀ helix	trans	-79.1	-11.7	177.1	-64.7	-168.5	177.7	-166.6	0	113.8	A222 L223	A222-K225 HydrophobicContact CB-CB 4.42Å; A222-K225 HydrophobicContact CB-CD 4.31Å; A222-K225 HydrophobicContact CB-CG 4.11Å; A222-K225 PolarHBondContact O-N 2.91Å; L223-K225 PolarHBondContact O-N 3.39Å
226	F	91.7	Very high	91.8	Very high	15 Å²	15	71.8 Å²	71.8	7%	0.066	34%	0.337	C	S	.	.	S	Bend	trans	-80.3	138.3	174.8	-66.3	-46.6	0	0	0	111	H221 L223 N224 I231 N236 V239 I244 R265	H221-F226 HydrophobicContact CB-CE2 4.13Å; H221-F226 HydrophobicContact CB-CZ 3.6Å; L223-F226 HydrophobicContact CD1-CD2 4.11Å; L223-F226 PolarHBondContact O-N 2.81Å; L223-F226 VanDerWaalsContact O-N 3.1Å; N224-F226 VanDerWaalsContact C-N 3.32Å; F226-I231 HydrophobicContact CD2-CD1 4.39Å; F226-I231 HydrophobicContact CD2-CG1 4.22Å; F226-I231 HydrophobicContact CD2-CG2 4.25Å; F226-I231 HydrophobicContact CE1-CG2 4.47Å; F226-I231 HydrophobicContact CE2-CG2 3.84Å; F226-I231 HydrophobicContact CZ-CG2 3.95Å; F226-N236 VanDerWaalsContact CA-OD1 3.27Å; F226-N236 WeakPolarHBondContact CA-OD1 3.29Å; F226-N236 WeakPolarHBondContact CB-OD1 3.37Å; F226-N236 HydrophobicContact CD1-CB 3.63Å; F226-N236 HydrophobicContact CE1-CB 4.08Å; F226-N236 WeakPolarHBondContact CE1-O 3.17Å; F226-N236 HydrophobicContact CG-CB 4.44Å; F226-V239 HydrophobicContact CE1-CB 4.5Å; F226-V239 HydrophobicContact CE1-CG2 3.94Å; F226-V239 HydrophobicContact CZ-CB 4.21Å; F226-V239 HydrophobicContact CZ-CG1 4.36Å; F226-V239 HydrophobicContact CZ-CG2 3.94Å; F226-I244 HydrophobicContact CE2-CD1 4.42Å; F226-I244 HydrophobicContact CE2-CG1 4.46Å; F226-I244 HydrophobicContact CE2-CG2 4.49Å; F226-R265 VanDerWaalsContact O-CZ 3.27Å; F226-R265 PolarHBondContact O-NH1 3.16Å; F226-R265 PolarHBondContact O-NH2 3.26Å
227	K	90.9	Very high	91.7	Very high	135 Å²	135	68 Å²	68	59%	0.587	34%	0.336	S	S	*	.			trans	-65.6	156.6	165	-64.7	-172.6	177.5	-175.2	0	109.7	T229 N236 Q268	K227-T229 PolarHBondContact O-N 2.95Å; K227-N236 PolarHBondContact N-OD1 3.23Å; K227-N236 PolarHBondContact O-ND2 3.28Å; K227-Q268 PolarHBondContact O-NE2 2.79Å
228	Y	90.6	Very high	91.6	Very high	60 Å²	60	62.1 Å²	62.1	24%	0.235	32%	0.317	C	S	.	.	S	Bend	trans	-74.4	51.7	176.4	-73.7	-91.2	0	0	0	112.5	E254 Y262 R265	Y228-E254 PolarHBondContact OH-N 3.33Å; Y228-E254 PolarHBondContact OH-O 3.1Å; Y228-Y262 WeakPolarHBondContact CD1-O 3.22Å; Y228-R265 VanDerWaalsContact CE1-CD 3.49Å; Y228-R265 HydrophobicContact CE1-CG 3.78Å; Y228-R265 VanDerWaalsContact CE1-NE 3.3Å; Y228-R265 PolarHBondContact OH-NE 3.46Å
229	T	91	Very high	91.4	Very high	44 Å²	44	62.2 Å²	62.2	27%	0.27	32%	0.318	S	S	.	.	S	Bend	trans	-128.5	-176.5	174.9	61.4	0	0	0	0	109.2	K227 I231 E235 N236 Q268	K227-T229 PolarHBondContact O-N 2.95Å; T229-I231 PolarHBondContact O-N 3.42Å; T229-E235 WeakPolarHBondContact CB-OE2 3.43Å; T229-E235 WeakPolarHBondContact CG2-OE2 3.37Å; T229-E235 PolarHBondContact OG1-OE2 2.94Å; T229-N236 PolarHBondContact O-ND2 3.41Å; T229-N236 PolarHBondContact OG1-ND2 3.06Å; T229-Q268 PolarHBondContact O-NE2 2.96Å
230	K	91.3	Very high	91.3	Very high	93 Å²	93	62.5 Å²	62.5	40%	0.404	32%	0.319	S	S	.	.			trans	-58.8	125.7	-178.6	-175.5	168.2	171.3	169.7	0	110.2	S232 G233 N236 Y262	K230-S232 VanDerWaalsContact C-N 3.26Å; K230-S232 WeakPolarHBondContact CE-OG 3.43Å; K230-S232 PolarHBondContact O-N 2.9Å; K230-G233 WeakPolarHBondContact O-CA 3.24Å; K230-G233 PolarHBondContact O-N 2.91Å; K230-N236 PolarHBondContact O-ND2 3.46Å; K230-Y262 HydrophobicContact CB-CE2 3.98Å
231	I	92.4	Very high	91.2	Very high	2 Å²	2	68 Å²	68	1%	0.01	34%	0.342	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60	-38.3	-179	-68	174.8	0	0	0	111.4	L223 F226 T229 G233 N236 V239 I244 Q268 L269 W272	L223-I231 HydrophobicContact CD1-CD1 4.33Å; F226-I231 HydrophobicContact CD2-CD1 4.39Å; F226-I231 HydrophobicContact CD2-CG1 4.22Å; F226-I231 HydrophobicContact CD2-CG2 4.25Å; F226-I231 HydrophobicContact CE1-CG2 4.47Å; F226-I231 HydrophobicContact CE2-CG2 3.84Å; F226-I231 HydrophobicContact CZ-CG2 3.95Å; T229-I231 PolarHBondContact O-N 3.42Å; I231-G233 PolarHBondContact O-N 2.87Å; I231-N236 VanDerWaalsContact O-CB 3.29Å; I231-N236 WeakPolarHBondContact O-CB 3.46Å; I231-V239 HydrophobicContact CG2-CB 4.21Å; I231-V239 PolarHBondContact O-N 3.12Å; I231-I244 HydrophobicContact CD1-CD1 3.89Å; I231-I244 HydrophobicContact CG2-CD1 4.01Å; I231-Q268 HydrophobicContact CD1-CG 3.83Å; I231-Q268 HydrophobicContact CG1-CG 3.72Å; I231-L269 HydrophobicContact CD1-CD2 4.13Å; I231-W272 HydrophobicContact CB-CB 4.26Å; I231-W272 HydrophobicContact CB-CG 4.16Å; I231-W272 HydrophobicContact CD1-CB 3.98Å; I231-W272 HydrophobicContact CD1-CG 4.32Å; I231-W272 VanDerWaalsContact CG2-CD1 3.49Å; I231-W272 HydrophobicContact CG2-CG 4.08Å
232	S	91	Very high	91.2	Very high	37 Å²	37	66 Å²	66	26%	0.259	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.2	11	175	78	0	0	0	0	113.4	K230	K230-S232 VanDerWaalsContact C-N 3.26Å; K230-S232 WeakPolarHBondContact CE-OG 3.43Å; K230-S232 PolarHBondContact O-N 2.9Å
233	G	90.3	Very high	91.5	Very high	19 Å²	19	65.5 Å²	65.5	20%	0.196	33%	0.33	C	S	.	.	S	Bend	trans	-82.4	161.3	177.8	0	0	0	0	0	112.2	K230 I231 E235 N236 G237 S238	K230-G233 WeakPolarHBondContact O-CA 3.24Å; K230-G233 PolarHBondContact O-N 2.91Å; I231-G233 PolarHBondContact O-N 2.87Å; G233-E235 VanDerWaalsContact C-N 3.27Å; G233-E235 PolarHBondContact O-N 3.13Å; G233-N236 PolarHBondContact O-N 3.29Å; G233-N236 VanDerWaalsContact O-N 3.13Å; G233-G237 PolarHBondContact O-N 3.25Å; G233-S238 WeakPolarHBondContact O-CA 3.31Å; G233-S238 PolarHBondContact O-N 3.04Å
234	K	89.2	Confident	91.7	Very high	197 Å²	197	65.5 Å²	65.5	86%	0.857	33%	0.33	S	S	*	.	G	3₁₀ helix	trans	-58.3	-39.2	-178.7	-69.1	-174.9	179.5	-179.1	0	112.4	N236 G237	K234-N236 PolarHBondContact O-N 3.38Å; K234-G237 PolarHBondContact O-N 3.22Å
235	E	87.4	Confident	92.1	Very high	127 Å²	127	61.9 Å²	61.9	59%	0.593	31%	0.31	S	S	*	.	G	3₁₀ helix	trans	-60.6	-27.1	178.8	-62.3	176.2	-178.8	0	0	114.2	T229 G233	T229-E235 WeakPolarHBondContact CB-OE2 3.43Å; T229-E235 WeakPolarHBondContact CG2-OE2 3.37Å; T229-E235 PolarHBondContact OG1-OE2 2.94Å; G233-E235 VanDerWaalsContact C-N 3.27Å; G233-E235 PolarHBondContact O-N 3.13Å
236	N	90.9	Very high	92.4	Very high	12 Å²	12	55.1 Å²	55.1	6%	0.064	28%	0.281	C	S	.	.	G	3₁₀ helix	trans	-103	17.4	178.7	-75.7	-38.2	0	0	0	111.9	F226 K227 T229 K230 I231 G233 K234 S238 V239	F226-N236 VanDerWaalsContact CA-OD1 3.27Å; F226-N236 WeakPolarHBondContact CA-OD1 3.29Å; F226-N236 WeakPolarHBondContact CB-OD1 3.37Å; F226-N236 HydrophobicContact CD1-CB 3.63Å; F226-N236 HydrophobicContact CE1-CB 4.08Å; F226-N236 WeakPolarHBondContact CE1-O 3.17Å; F226-N236 HydrophobicContact CG-CB 4.44Å; K227-N236 PolarHBondContact N-OD1 3.23Å; K227-N236 PolarHBondContact O-ND2 3.28Å; T229-N236 PolarHBondContact O-ND2 3.41Å; T229-N236 PolarHBondContact OG1-ND2 3.06Å; K230-N236 PolarHBondContact O-ND2 3.46Å; I231-N236 VanDerWaalsContact O-CB 3.29Å; I231-N236 WeakPolarHBondContact O-CB 3.46Å; G233-N236 PolarHBondContact O-N 3.29Å; G233-N236 VanDerWaalsContact O-N 3.13Å; K234-N236 PolarHBondContact O-N 3.38Å; N236-S238 PolarHBondContact O-N 3.19Å; N236-V239 WeakPolarHBondContact O-CG2 3.42Å
237	G	89.1	Confident	92.3	Very high	61 Å²	61	55.4 Å²	55.4	63%	0.629	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.4	19.3	179.1	0	0	0	0	0	114.7	G233 K234 V239	G233-G237 PolarHBondContact O-N 3.25Å; K234-G237 PolarHBondContact O-N 3.22Å; G237-V239 VanDerWaalsContact C-N 3.34Å; G237-V239 PolarHBondContact O-N 3.25Å
238	S	91	Very high	92.3	Very high	55 Å²	55	49.4 Å²	49.4	39%	0.385	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.3	42.2	177.1	-55.6	0	0	0	0	114.4	G233 N236 K240	G233-S238 WeakPolarHBondContact O-CA 3.31Å; G233-S238 PolarHBondContact O-N 3.04Å; N236-S238 PolarHBondContact O-N 3.19Å; S238-K240 PolarHBondContact O-N 3.43Å
239	V	92.7	Very high	92	Very high	10 Å²	10	49.9 Å²	49.9	6%	0.061	27%	0.274	C	S	.	.			trans	-70.3	100.9	-177.7	178.9	0	0	0	0	110.7	F226 I231 N236 G237 W272	F226-V239 HydrophobicContact CE1-CB 4.5Å; F226-V239 HydrophobicContact CE1-CG2 3.94Å; F226-V239 HydrophobicContact CZ-CB 4.21Å; F226-V239 HydrophobicContact CZ-CG1 4.36Å; F226-V239 HydrophobicContact CZ-CG2 3.94Å; I231-V239 HydrophobicContact CG2-CB 4.21Å; I231-V239 PolarHBondContact O-N 3.12Å; N236-V239 WeakPolarHBondContact O-CG2 3.42Å; G237-V239 VanDerWaalsContact C-N 3.34Å; G237-V239 PolarHBondContact O-N 3.25Å; V239-W272 PolarHBondContact O-NE1 3.03Å
240	K	93.2	Very high	91.8	Very high	155 Å²	155	48.8 Å²	48.8	67%	0.674	27%	0.268	S	S	*	.			trans	-97.8	-25.3	178.9	-66.1	-179.1	-176.8	-179.3	0	114.1	S238	S238-K240 PolarHBondContact O-N 3.43Å
241	K	94.2	Very high	91.7	Very high	125 Å²	125	44.4 Å²	44.4	54%	0.543	25%	0.249	S	C	.	.	S	Bend	trans	-147.9	163.1	-175	63.7	177.8	-179.3	177.8	0	110.9	K191	K191-K241 HydrophobicContact CB-CB 3.94Å; K191-K241 WeakPolarHBondContact O-CB 3.23Å
242	G	96	Very high	91.5	Very high	3 Å²	3	46.5 Å²	46.5	3%	0.031	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	116.3	-161.4	-176.7	0	0	0	0	0	112	K191 S193 K219	K191-G242 PolarHBondContact O-N 3.19Å; S193-G242 PolarHBondContact N-O 3.32Å; K219-G242 WeakPolarHBondContact O-CA 3.39Å
243	V	98	Very high	91.3	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	126	177.6	-179.5	0	0	0	0	108.9	I182 S193 W195 L210 I218 K219 V220 H221	I182-V243 HydrophobicContact CD1-CG2 4.21Å; I182-V243 HydrophobicContact CG2-CG2 3.89Å; S193-V243 WeakPolarHBondContact O-CA 3.48Å; W195-V243 HydrophobicContact CB-CG1 3.78Å; W195-V243 HydrophobicContact CE3-CG1 4.47Å; L210-V243 HydrophobicContact CD1-CG2 4.28Å; I218-V243 HydrophobicContact CG2-CG2 3.77Å; K219-V243 PolarHBondContact O-N 2.97Å; V220-V243 CarbonylContact C-O 3.38Å; V220-V243 WeakPolarHBondContact CA-O 3.37Å; V220-V243 HydrophobicContact CG1-CB 4.48Å; V220-V243 HydrophobicContact CG1-CG1 4.44Å; V220-V243 HydrophobicContact CG2-CB 4.27Å; H221-V243 PolarHBondContact N-O 3.42Å
244	I	97.5	Very high	91.2	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	114.5	164.1	-62	-178.4	0	0	0	107.9	S193 I194 W195 H221 L223 F226 I231 L269 W272	S193-I244 PolarHBondContact O-N 3.17Å; I194-I244 CarbonylContact C-O 3.57Å; I194-I244 WeakPolarHBondContact CA-O 3.19Å; W195-I244 PolarHBondContact N-O 3.41Å; H221-I244 CarbonylContact O-C 3.48Å; H221-I244 WeakPolarHBondContact O-CA 3.37Å; L223-I244 HydrophobicContact CB-CG2 4.06Å; L223-I244 HydrophobicContact CD1-CG2 4.36Å; F226-I244 HydrophobicContact CE2-CD1 4.42Å; F226-I244 HydrophobicContact CE2-CG1 4.46Å; F226-I244 HydrophobicContact CE2-CG2 4.49Å; I231-I244 HydrophobicContact CD1-CD1 3.89Å; I231-I244 HydrophobicContact CG2-CD1 4.01Å; I244-L269 HydrophobicContact CD1-CD2 4.03Å; I244-L269 HydrophobicContact CG2-CD2 3.91Å; I244-W272 HydrophobicContact CD1-CD2 3.42Å; I244-W272 VanDerWaalsContact CD1-CD2 3.42Å; I244-W272 HydrophobicContact CD1-CE3 3.46Å; I244-W272 VanDerWaalsContact CD1-CE3 3.46Å; I244-W272 HydrophobicContact CD1-CG 3.99Å; I244-W272 HydrophobicContact CD1-CH2 3.84Å; I244-W272 HydrophobicContact CD1-CZ2 3.83Å; I244-W272 HydrophobicContact CD1-CZ3 3.67Å; I244-W272 HydrophobicContact CG1-CD2 4.43Å; I244-W272 HydrophobicContact CG1-CE3 4.29Å; I244-W272 HydrophobicContact CG1-CH2 3.81Å; I244-W272 HydrophobicContact CG1-CZ2 3.99Å; I244-W272 HydrophobicContact CG1-CZ3 3.98Å
245	F	97	Very high	91	Very high	5 Å²	5	40 Å²	40	2%	0.022	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	130.1	173.9	-166.5	-84.4	0	0	0	109.9	W195 S199 L202 K203 A206 V220 H221 A222 L223	W195-F245 HydrophobicContact CB-CD2 4.01Å; W195-F245 AromaticContact CD1-CE2 3.85Å; W195-F245 HydrophobicContact CD2-CD2 4.35Å; W195-F245 HydrophobicContact CD2-CE2 4.33Å; W195-F245 AromaticContact CG-CD2 3.92Å; W195-F245 HydrophobicContact CG-CD2 3.92Å; W195-F245 HydrophobicContact CG-CE2 4.01Å; W195-F245 WeakPolarHBondContact O-CA 3.42Å; S199-F245 WeakPolarHBondContact O-CE1 3.4Å; L202-F245 VanDerWaalsContact C-CZ 3.41Å; L202-F245 HydrophobicContact CB-CE1 4.46Å; L202-F245 HydrophobicContact CB-CZ 3.69Å; K203-F245 HydrophobicContact CB-CD1 3.63Å; K203-F245 HydrophobicContact CB-CD2 4.4Å; K203-F245 HydrophobicContact CB-CE1 3.87Å; K203-F245 HydrophobicContact CB-CG 3.92Å; K203-F245 HydrophobicContact CB-CZ 4.35Å; K203-F245 HydrophobicContact CG-CB 4.07Å; K203-F245 HydrophobicContact CG-CD1 4.11Å; K203-F245 HydrophobicContact CG-CG 4.01Å; K203-F245 VanDerWaalsContact N-CZ 3.32Å; A206-F245 HydrophobicContact CB-CD2 3.98Å; A206-F245 HydrophobicContact CB-CE2 3.87Å; V220-F245 HydrophobicContact CG1-CB 3.66Å; V220-F245 HydrophobicContact CG1-CG 4.41Å; H221-F245 PolarHBondContact O-N 2.91Å; A222-F245 CarbonylContact C-O 3.55Å; A222-F245 WeakPolarHBondContact CA-O 3.36Å; L223-F245 PolarHBondContact N-O 3.45Å
246	A	94.3	Very high	90.7	Very high	2 Å²	2	43.2 Å²	43.2	2%	0.017	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	148.3	-177.6	0	0	0	0	0	110.8	W195 F196 S197 L223	W195-A246 PolarHBondContact O-N 3.49Å; F196-A246 CarbonylContact C-O 3.58Å; F196-A246 WeakPolarHBondContact CA-O 3.46Å; F196-A246 HydrophobicContact CD1-CB 3.63Å; F196-A246 HydrophobicContact CE1-CB 3.6Å; S197-A246 PolarHBondContact N-O 3.03Å; L223-A246 HydrophobicContact CB-CB 3.74Å; L223-A246 HydrophobicContact CD2-CB 3.53Å; L223-A246 HydrophobicContact CG-CB 4.3Å
247	T	91.1	Very high	90.2	Very high	21 Å²	21	47.7 Å²	47.7	13%	0.129	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	153.8	167.7	65.4	0	0	0	0	110.6	S197 S200 A249 S250 L251	S197-T247 VanDerWaalsContact O-CA 3.23Å; S197-T247 WeakPolarHBondContact O-CA 3.2Å; S200-T247 VanDerWaalsContact N-CG2 3.35Å; T247-A249 PolarHBondContact O-N 2.83Å; T247-S250 PolarHBondContact N-OG 2.93Å; T247-S250 PolarHBondContact O-N 3.3Å; T247-S250 PolarHBondContact O-OG 2.79Å; T247-S250 VanDerWaalsContact OG1-CB 3.32Å; T247-S250 WeakPolarHBondContact OG1-CB 3.44Å; T247-S250 PolarHBondContact OG1-N 3.05Å; T247-S250 PolarHBondContact OG1-OG 3.08Å; T247-L251 PolarHBondContact O-N 3.29Å
248	Y	89.1	Confident	89.4	Confident	10 Å²	10	48.4 Å²	48.4	4%	0.039	27%	0.27	C	S	.	.	H	α-helix	trans	-55.1	-36.1	171.7	-69.2	-77	0	0	0	112.5	F196 S197 L251 L284 D285 C287 R289 T304 V308	F196-Y248 HydrophobicContact CB-CE1 4.18Å; S197-Y248 VanDerWaalsContact O-CD2 3.24Å; S197-Y248 WeakPolarHBondContact O-CD2 3.3Å; S197-Y248 PolarHBondContact O-N 2.85Å; Y248-L251 PolarHBondContact O-N 3.14Å; Y248-L284 HydrophobicContact CE1-CD2 4.22Å; Y248-L284 WeakPolarHBondContact OH-CA 3.36Å; Y248-D285 WeakPolarHBondContact CE2-O 3.22Å; Y248-D285 PolarHBondContact OH-N 2.85Å; Y248-D285 PolarHBondContact OH-O 3.48Å; Y248-C287 WeakPolarHBondContact OH-CA 3.44Å; Y248-R289 HydrophobicContact CD2-CB 3.85Å; Y248-R289 HydrophobicContact CD2-CG 4.06Å; Y248-R289 HydrophobicContact CE2-CB 4.08Å; Y248-R289 HydrophobicContact CE2-CG 4.32Å; Y248-R289 HydrophobicContact CG-CB 4.14Å; Y248-T304 HydrophobicContact CD1-CG2 3.87Å; Y248-T304 HydrophobicContact CG-CG2 4.15Å; Y248-V308 HydrophobicContact CD1-CG2 4.12Å; Y248-V308 HydrophobicContact CE1-CG2 4.12Å
249	A	85.8	Confident	88.7	Confident	70 Å²	70	55.4 Å²	55.4	58%	0.579	29%	0.294	S	S	*	.	H	α-helix	trans	-67.4	-41	174.3	0	0	0	0	0	112.2	T247 L251 I252	T247-A249 PolarHBondContact O-N 2.83Å; A249-L251 VanDerWaalsContact C-N 3.3Å; A249-L251 PolarHBondContact O-N 3.47Å; A249-I252 WeakPolarHBondContact O-CG1 3.49Å; A249-I252 PolarHBondContact O-N 2.88Å
250	S	86.9	Confident	88.1	Confident	20 Å²	20	56.6 Å²	56.6	14%	0.14	30%	0.302	C	S	.	.	H	α-helix	trans	-66.5	-31.9	176.2	73	0	0	0	0	112.5	T247 I252 G253 R265	T247-S250 PolarHBondContact N-OG 2.93Å; T247-S250 PolarHBondContact O-N 3.3Å; T247-S250 PolarHBondContact O-OG 2.79Å; T247-S250 VanDerWaalsContact OG1-CB 3.32Å; T247-S250 WeakPolarHBondContact OG1-CB 3.44Å; T247-S250 PolarHBondContact OG1-N 3.05Å; T247-S250 PolarHBondContact OG1-OG 3.08Å; S250-I252 VanDerWaalsContact C-N 3.29Å; S250-I252 PolarHBondContact O-N 3.49Å; S250-G253 PolarHBondContact O-N 3.45Å; S250-R265 WeakPolarHBondContact O-CB 3.41Å; S250-R265 VanDerWaalsContact O-CG 3.22Å; S250-R265 WeakPolarHBondContact O-CG 3.48Å
251	L	89.2	Confident	87.6	Confident	1 Å²	1	56.5 Å²	56.5	1%	0.005	30%	0.302	C	S	.	.	H	α-helix	trans	-62	-36	-179.9	176.5	60.4	0	0	0	112.6	F196 T247 Y248 A249 G253 I266 L269 T307 V308	F196-L251 HydrophobicContact CD1-CB 4.46Å; F196-L251 HydrophobicContact CD1-CD2 4.3Å; F196-L251 HydrophobicContact CE1-CB 3.96Å; F196-L251 HydrophobicContact CE1-CD1 3.78Å; F196-L251 HydrophobicContact CE1-CD2 3.8Å; F196-L251 HydrophobicContact CE1-CG 4.04Å; F196-L251 HydrophobicContact CZ-CD1 3.86Å; F196-L251 HydrophobicContact CZ-CD2 3.99Å; F196-L251 HydrophobicContact CZ-CG 4.41Å; T247-L251 PolarHBondContact O-N 3.29Å; Y248-L251 PolarHBondContact O-N 3.14Å; A249-L251 VanDerWaalsContact C-N 3.3Å; A249-L251 PolarHBondContact O-N 3.47Å; L251-G253 PolarHBondContact O-N 3.2Å; L251-I266 HydrophobicContact CD1-CB 4.24Å; L251-L269 HydrophobicContact CD1-CD1 3.81Å; L251-T307 HydrophobicContact CD1-CG2 4.13Å; L251-T307 HydrophobicContact CD2-CG2 4.03Å; L251-T307 HydrophobicContact CG-CG2 3.73Å; L251-V308 HydrophobicContact CD2-CG2 4.11Å
252	I	87.4	Confident	87.3	Confident	46 Å²	46	51.9 Å²	51.9	24%	0.236	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.2	1.8	177.9	61.2	168.3	0	0	0	113.4	A249 S250 K303	A249-I252 WeakPolarHBondContact O-CG1 3.49Å; A249-I252 PolarHBondContact O-N 2.88Å; S250-I252 VanDerWaalsContact C-N 3.29Å; S250-I252 PolarHBondContact O-N 3.49Å; I252-K303 HydrophobicContact CB-CD 4.06Å; I252-K303 HydrophobicContact CB-CG 4.28Å; I252-K303 HydrophobicContact CG2-CB 4.4Å; I252-K303 HydrophobicContact CG2-CD 4.35Å; I252-K303 HydrophobicContact CG2-CG 4Å; I252-K303 PolarHBondContact O-NZ 2.89Å
253	G	87	Confident	86.9	Confident	19 Å²	19	55.5 Å²	55.5	20%	0.196	29%	0.294	C	S	.	.			trans	-66.8	142.1	179.5	0	0	0	0	0	112.9	S250 L251 R265	S250-G253 PolarHBondContact O-N 3.45Å; L251-G253 PolarHBondContact O-N 3.2Å; G253-R265 WeakPolarHBondContact O-CG 3.31Å; G253-R265 PolarHBondContact O-N 3.05Å
254	E	87.2	Confident	86.6	Confident	75 Å²	75	56.1 Å²	56.1	35%	0.35	30%	0.298	S	S	.	.	B	Isolated β-bridge	trans	-131.8	147.8	-178.7	-53.9	-174.3	-177.9	0	0	110.2	Y228 R263 T264 K303	Y228-E254 PolarHBondContact OH-N 3.33Å; Y228-E254 PolarHBondContact OH-O 3.1Å; E254-R263 CarbonylContact C-O 3.6Å; E254-R263 WeakPolarHBondContact CA-O 3.39Å; E254-R263 IonicContact OE1-NH2 3.65Å; E254-R263 IonicContact OE2-CZ 3.32Å; E254-R263 VanDerWaalsContact OE2-CZ 3.26Å; E254-R263 IonicContact OE2-NH1 3.66Å; E254-R263 PolarHBondContact OE2-NH1 3.19Å; E254-R263 IonicContact OE2-NH2 2.75Å; E254-R263 PolarHBondContact OE2-NH2 3.38Å; E254-T264 HydrophobicContact CG-CG2 3.96Å; E254-K303 WeakPolarHBondContact OE1-CE 3.37Å; E254-K303 IonicContact OE1-NZ 2.78Å; E254-K303 PolarHBondContact OE1-NZ 3.15Å
255	S	86.9	Confident	86.3	Confident	24 Å²	24	56.8 Å²	56.8	17%	0.168	30%	0.3	C	S	.	.			trans	-79.7	143	172	163	0	0	0	0	110.2	N257 R263	S255-N257 PolarHBondContact O-N 2.7Å; S255-N257 PolarHBondContact OG-N 3.2Å; S255-N257 VanDerWaalsContact OG-N 3.08Å; S255-R263 PolarHBondContact N-O 3.02Å
256	Q	81	Confident	86.2	Confident	194 Å²	194	56.9 Å²	56.9	91%	0.907	30%	0.301	S	S	*	.	S	Bend	trans	-62.2	-27.3	172.3	-63.8	-61.9	-15.2	0	0	112.4	A258	Q256-A258 PolarHBondContact O-N 2.83Å; Q256-A258 VanDerWaalsContact O-N 3.13Å
257	N	80.1	Confident	86	Confident	105 Å²	105	62.1 Å²	62.1	56%	0.561	32%	0.323	S	S	*	.			trans	-78.6	99.6	179.3	-161.6	-14.1	0	0	0	111.7	S255 K259 S260	S255-N257 PolarHBondContact O-N 2.7Å; S255-N257 PolarHBondContact OG-N 3.2Å; S255-N257 VanDerWaalsContact OG-N 3.08Å; N257-K259 VanDerWaalsContact C-N 3.31Å; N257-K259 PolarHBondContact O-N 3.4Å; N257-S260 WeakPolarHBondContact O-CB 3.47Å; N257-S260 PolarHBondContact O-N 2.91Å
258	A	72	Confident	86.1	Confident	76 Å²	76	61.2 Å²	61.2	63%	0.628	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.8	-32	-173.6	0	0	0	0	0	114.3	Q256 S260 R263	Q256-A258 PolarHBondContact O-N 2.83Å; Q256-A258 VanDerWaalsContact O-N 3.13Å; A258-S260 VanDerWaalsContact C-N 3.3Å; A258-S260 PolarHBondContact O-N 2.99Å; A258-R263 WeakPolarHBondContact O-CD 3.49Å
259	K	75.7	Confident	86.4	Confident	203 Å²	203	60.7 Å²	60.7	88%	0.883	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.8	-0.3	-178.3	-67.2	-174.3	179.4	-179.3	0	113.9	N257 K261	N257-K259 VanDerWaalsContact C-N 3.31Å; N257-K259 PolarHBondContact O-N 3.4Å; K259-K261 PolarHBondContact O-N 2.94Å
260	S	80.8	Confident	86.9	Confident	34 Å²	34	59 Å²	59	24%	0.238	30%	0.297	C	S	.	.			trans	-70	131.1	-178.5	179.1	0	0	0	0	112.1	N257 A258 Y262 R263	N257-S260 WeakPolarHBondContact O-CB 3.47Å; N257-S260 PolarHBondContact O-N 2.91Å; A258-S260 VanDerWaalsContact C-N 3.3Å; A258-S260 PolarHBondContact O-N 2.99Å; S260-Y262 PolarHBondContact O-N 2.73Å; S260-Y262 VanDerWaalsContact O-N 3.12Å; S260-Y262 PolarHBondContact OG-N 3.29Å; S260-R263 WeakPolarHBondContact O-CB 3.48Å; S260-R263 PolarHBondContact O-N 3.19Å
261	K	83.5	Confident	87.2	Confident	153 Å²	153	61.3 Å²	61.3	67%	0.665	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.8	-30.7	170	-177.7	175.9	-178.9	174.7	0	112.6	K259	K259-K261 PolarHBondContact O-N 2.94Å
262	Y	87.1	Confident	87.5	Confident	28 Å²	28	61.8 Å²	61.8	11%	0.11	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.1	35.5	-179.6	-55.3	-69.6	0	0	0	111.5	Y228 K230 S260 T264 Q268 H271	Y228-Y262 WeakPolarHBondContact CD1-O 3.22Å; K230-Y262 HydrophobicContact CB-CE2 3.98Å; S260-Y262 PolarHBondContact O-N 2.73Å; S260-Y262 VanDerWaalsContact O-N 3.12Å; S260-Y262 PolarHBondContact OG-N 3.29Å; Y262-T264 VanDerWaalsContact C-N 3.27Å; Y262-T264 PolarHBondContact O-N 3.09Å; Y262-Q268 HydrophobicContact CD1-CB 4.42Å; Y262-Q268 HydrophobicContact CD1-CG 4.26Å; Y262-H271 HydrophobicContact CE1-CB 3.84Å; Y262-H271 AromaticContact CE1-CD2 3.68Å; Y262-H271 AromaticContact CE1-CG 3.56Å; Y262-H271 AromaticContact CE1-ND1 3.98Å; Y262-H271 AromaticContact CZ-CD2 4Å; Y262-H271 PolarHBondContact OH-CD2 3.19Å; Y262-H271 PolarHBondContact OH-CE1 3.3Å; Y262-H271 VanDerWaalsContact OH-CE1 3.29Å; Y262-H271 PolarHBondContact OH-NE2 2.7Å
263	R	86.8	Confident	87.9	Confident	79 Å²	79	59.7 Å²	59.7	30%	0.298	30%	0.296	S	S	.	.			trans	-50.8	-43	-176.9	-166.1	-175.8	84.9	73.7	2.4	113.5	E254 S255 A258 S260	E254-R263 CarbonylContact C-O 3.6Å; E254-R263 WeakPolarHBondContact CA-O 3.39Å; E254-R263 IonicContact OE1-NH2 3.65Å; E254-R263 IonicContact OE2-CZ 3.32Å; E254-R263 VanDerWaalsContact OE2-CZ 3.26Å; E254-R263 IonicContact OE2-NH1 3.66Å; E254-R263 PolarHBondContact OE2-NH1 3.19Å; E254-R263 IonicContact OE2-NH2 2.75Å; E254-R263 PolarHBondContact OE2-NH2 3.38Å; S255-R263 PolarHBondContact N-O 3.02Å; A258-R263 WeakPolarHBondContact O-CD 3.49Å; S260-R263 WeakPolarHBondContact O-CB 3.48Å; S260-R263 PolarHBondContact O-N 3.19Å
264	T	91.5	Very high	88.1	Confident	14 Å²	14	61.6 Å²	61.6	9%	0.086	32%	0.316	C	S	.	.	B	Isolated β-bridge	trans	-110.9	148.4	-177.8	68.1	0	0	0	0	110.7	E254 Y262 I266 K267 Q268	E254-T264 HydrophobicContact CG-CG2 3.96Å; Y262-T264 VanDerWaalsContact C-N 3.27Å; Y262-T264 PolarHBondContact O-N 3.09Å; T264-I266 VanDerWaalsContact C-N 3.28Å; T264-I266 PolarHBondContact O-N 3.05Å; T264-I266 VanDerWaalsContact OG1-CG2 3.24Å; T264-I266 WeakPolarHBondContact OG1-CG2 3.22Å; T264-K267 PolarHBondContact O-N 3.42Å; T264-K267 WeakPolarHBondContact OG1-CB 3.32Å; T264-K267 VanDerWaalsContact OG1-CG 3.3Å; T264-K267 WeakPolarHBondContact OG1-CG 3.41Å; T264-K267 PolarHBondContact OG1-N 3.3Å; T264-Q268 PolarHBondContact O-N 3.15Å
265	R	93	Very high	88.3	Confident	14 Å²	14	59.1 Å²	59.1	5%	0.053	31%	0.31	C	S	.	.	H	α-helix	trans	-61.2	-36.3	176.5	-70.4	-58.3	-171.3	173.8	3	112.6	L223 F226 Y228 S250 G253 Q268 L269	L223-R265 HydrophobicContact CD2-CB 4.18Å; L223-R265 HydrophobicContact CD2-CG 4.46Å; L223-R265 PolarHBondContact O-NH1 3.48Å; F226-R265 VanDerWaalsContact O-CZ 3.27Å; F226-R265 PolarHBondContact O-NH1 3.16Å; F226-R265 PolarHBondContact O-NH2 3.26Å; Y228-R265 VanDerWaalsContact CE1-CD 3.49Å; Y228-R265 HydrophobicContact CE1-CG 3.78Å; Y228-R265 VanDerWaalsContact CE1-NE 3.3Å; Y228-R265 PolarHBondContact OH-NE 3.46Å; S250-R265 WeakPolarHBondContact O-CB 3.41Å; S250-R265 VanDerWaalsContact O-CG 3.22Å; S250-R265 WeakPolarHBondContact O-CG 3.48Å; G253-R265 WeakPolarHBondContact O-CG 3.31Å; G253-R265 PolarHBondContact O-N 3.05Å; R265-Q268 VanDerWaalsContact CD-OE1 3.29Å; R265-Q268 WeakPolarHBondContact O-CB 3.38Å; R265-Q268 PolarHBondContact O-N 3.29Å; R265-L269 WeakPolarHBondContact O-CG 3.32Å; R265-L269 PolarHBondContact O-N 3Å
266	I	93.1	Very high	88.6	Confident	7 Å²	7	61.7 Å²	61.7	4%	0.036	33%	0.326	C	S	.	.	H	α-helix	trans	-59.3	-49.4	172.8	-176.4	164.3	0	0	0	112.3	L251 T264 Q268 L269 L270 T307 E310 L311	L251-I266 HydrophobicContact CD1-CB 4.24Å; T264-I266 VanDerWaalsContact C-N 3.28Å; T264-I266 PolarHBondContact O-N 3.05Å; T264-I266 VanDerWaalsContact OG1-CG2 3.24Å; T264-I266 WeakPolarHBondContact OG1-CG2 3.22Å; I266-Q268 PolarHBondContact O-N 2.78Å; I266-L269 PolarHBondContact O-N 3.21Å; I266-L269 VanDerWaalsContact O-N 3.13Å; I266-L270 HydrophobicContact CG1-CD1 4.01Å; I266-L270 HydrophobicContact CG1-CG 4.15Å; I266-L270 VanDerWaalsContact O-CG 3.31Å; I266-L270 WeakPolarHBondContact O-CG 3.42Å; I266-L270 PolarHBondContact O-N 3.29Å; I266-T307 HydrophobicContact CB-CG2 3.91Å; I266-T307 HydrophobicContact CD1-CG2 3.61Å; I266-T307 HydrophobicContact CG1-CG2 4.31Å; I266-T307 HydrophobicContact CG2-CG2 4.19Å; I266-E310 HydrophobicContact CD1-CB 3.88Å; I266-E310 HydrophobicContact CD1-CG 3.78Å; I266-L311 HydrophobicContact CD1-CB 4.08Å
267	K	91.5	Very high	89.3	Confident	112 Å²	112	59.2 Å²	59.2	49%	0.487	32%	0.319	S	S	.	.	H	α-helix	trans	-60.4	-38.3	177.5	-76.1	-178.4	178.8	-171.8	0	111.6	T264 H271	T264-K267 PolarHBondContact O-N 3.42Å; T264-K267 WeakPolarHBondContact OG1-CB 3.32Å; T264-K267 VanDerWaalsContact OG1-CG 3.3Å; T264-K267 WeakPolarHBondContact OG1-CG 3.41Å; T264-K267 PolarHBondContact OG1-N 3.3Å; K267-H271 WeakPolarHBondContact O-CB 3.28Å; K267-H271 PolarHBondContact O-N 3.09Å; K267-H271 VanDerWaalsContact O-N 3.09Å
268	Q	93.4	Very high	90.1	Very high	1 Å²	1	54.5 Å²	54.5	1%	0.005	29%	0.293	C	S	.	.	H	α-helix	trans	-61.4	-45.1	175.7	-163.5	-170	21.5	0	0	112.2	K227 T229 I231 Y262 T264 R265 I266 W272	K227-Q268 PolarHBondContact O-NE2 2.79Å; T229-Q268 PolarHBondContact O-NE2 2.96Å; I231-Q268 HydrophobicContact CD1-CG 3.83Å; I231-Q268 HydrophobicContact CG1-CG 3.72Å; Y262-Q268 HydrophobicContact CD1-CB 4.42Å; Y262-Q268 HydrophobicContact CD1-CG 4.26Å; T264-Q268 PolarHBondContact O-N 3.15Å; R265-Q268 VanDerWaalsContact CD-OE1 3.29Å; R265-Q268 WeakPolarHBondContact O-CB 3.38Å; R265-Q268 PolarHBondContact O-N 3.29Å; I266-Q268 PolarHBondContact O-N 2.78Å; Q268-W272 PolarHBondContact O-N 3.42Å
269	L	95.2	Very high	91.3	Very high	0 Å²	0	53.7 Å²	53.7	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-67.2	-46.2	176.6	-71.5	173.5	0	0	0	112.3	I194 F196 L223 I231 I244 L251 R265 I266 H271 W272 C273	I194-L269 HydrophobicContact CD1-CB 4.48Å; I194-L269 HydrophobicContact CD1-CD2 4.28Å; F196-L269 HydrophobicContact CE1-CD1 4.15Å; F196-L269 HydrophobicContact CZ-CD1 3.81Å; L223-L269 HydrophobicContact CD1-CD2 3.97Å; L223-L269 HydrophobicContact CD1-CG 4.33Å; L223-L269 HydrophobicContact CD2-CD1 3.92Å; L223-L269 HydrophobicContact CD2-CD2 4.34Å; L223-L269 HydrophobicContact CD2-CG 4.27Å; I231-L269 HydrophobicContact CD1-CD2 4.13Å; I244-L269 HydrophobicContact CD1-CD2 4.03Å; I244-L269 HydrophobicContact CG2-CD2 3.91Å; L251-L269 HydrophobicContact CD1-CD1 3.81Å; R265-L269 WeakPolarHBondContact O-CG 3.32Å; R265-L269 PolarHBondContact O-N 3Å; I266-L269 PolarHBondContact O-N 3.21Å; I266-L269 VanDerWaalsContact O-N 3.13Å; L269-H271 PolarHBondContact O-N 2.56Å; L269-W272 CarbonylContact O-C 3.59Å; L269-W272 WeakPolarHBondContact O-CA 3.39Å; L269-W272 WeakPolarHBondContact O-CB 3.29Å; L269-W272 PolarHBondContact O-N 3.33Å; L269-C273 PolarHBondContact O-N 3.09Å
270	L	95	Very high	92.3	Very high	35 Å²	35	44.1 Å²	44.1	18%	0.183	24%	0.237	C	C	.	.	H	α-helix	trans	-56.6	-41.4	178.2	-70.3	177.4	0	0	0	111.7	I266 W272 C273 G274 G275 L311 A314 L315	I266-L270 HydrophobicContact CG1-CD1 4.01Å; I266-L270 HydrophobicContact CG1-CG 4.15Å; I266-L270 VanDerWaalsContact O-CG 3.31Å; I266-L270 WeakPolarHBondContact O-CG 3.42Å; I266-L270 PolarHBondContact O-N 3.29Å; L270-W272 VanDerWaalsContact C-N 3.35Å; L270-W272 PolarHBondContact O-N 3.16Å; L270-C273 PolarHBondContact O-N 2.78Å; L270-G274 PolarHBondContact O-N 3.37Å; L270-G274 VanDerWaalsContact O-N 3.1Å; L270-G275 PolarHBondContact O-N 3.45Å; L270-L311 HydrophobicContact CD2-CD1 3.8Å; L270-A314 HydrophobicContact CD1-CB 3.94Å; L270-A314 HydrophobicContact CD2-CB 3.56Å; L270-A314 HydrophobicContact CG-CB 4.42Å; L270-L315 HydrophobicContact CD2-CD1 3.9Å; L270-L315 HydrophobicContact CD2-CD2 3.79Å; L270-L315 HydrophobicContact CD2-CG 3.66Å
271	H	94.1	Very high	93.1	Very high	67 Å²	67	42.5 Å²	42.5	31%	0.31	23%	0.226	S	C	.	.	H	α-helix	trans	-64.7	-37.4	173.9	-178.6	-70.7	0	0	0	112.5	Y262 K267 L269 G274	Y262-H271 HydrophobicContact CE1-CB 3.84Å; Y262-H271 AromaticContact CE1-CD2 3.68Å; Y262-H271 AromaticContact CE1-CG 3.56Å; Y262-H271 AromaticContact CE1-ND1 3.98Å; Y262-H271 AromaticContact CZ-CD2 4Å; Y262-H271 PolarHBondContact OH-CD2 3.19Å; Y262-H271 PolarHBondContact OH-CE1 3.3Å; Y262-H271 VanDerWaalsContact OH-CE1 3.29Å; Y262-H271 PolarHBondContact OH-NE2 2.7Å; K267-H271 WeakPolarHBondContact O-CB 3.28Å; K267-H271 PolarHBondContact O-N 3.09Å; K267-H271 VanDerWaalsContact O-N 3.09Å; L269-H271 PolarHBondContact O-N 2.56Å; H271-G274 PolarHBondContact O-N 3.27Å
272	W	95.4	Very high	93.8	Very high	12 Å²	12	35.3 Å²	35.3	5%	0.045	19%	0.194	C	C	.	.	H	α-helix	trans	-70.8	-34.2	176.8	-177.8	82.3	0	0	0	112.9	R192 I194 I231 V239 I244 Q268 L269 L270 G274	R192-W272 HydrophobicContact CB-CH2 3.56Å; R192-W272 HydrophobicContact CB-CZ2 4.14Å; R192-W272 HydrophobicContact CB-CZ3 3.86Å; R192-W272 HydrophobicContact CG-CH2 3.72Å; R192-W272 HydrophobicContact CG-CZ2 3.74Å; R192-W272 HydrophobicContact CG-CZ3 4.28Å; R192-W272 PolarHBondContact NH1-O 2.8Å; I194-W272 HydrophobicContact CG1-CZ3 4.12Å; I231-W272 HydrophobicContact CB-CB 4.26Å; I231-W272 HydrophobicContact CB-CG 4.16Å; I231-W272 HydrophobicContact CD1-CB 3.98Å; I231-W272 HydrophobicContact CD1-CG 4.32Å; I231-W272 VanDerWaalsContact CG2-CD1 3.49Å; I231-W272 HydrophobicContact CG2-CG 4.08Å; V239-W272 PolarHBondContact O-NE1 3.03Å; I244-W272 HydrophobicContact CD1-CD2 3.42Å; I244-W272 VanDerWaalsContact CD1-CD2 3.42Å; I244-W272 HydrophobicContact CD1-CE3 3.46Å; I244-W272 VanDerWaalsContact CD1-CE3 3.46Å; I244-W272 HydrophobicContact CD1-CG 3.99Å; I244-W272 HydrophobicContact CD1-CH2 3.84Å; I244-W272 HydrophobicContact CD1-CZ2 3.83Å; I244-W272 HydrophobicContact CD1-CZ3 3.67Å; I244-W272 HydrophobicContact CG1-CD2 4.43Å; I244-W272 HydrophobicContact CG1-CE3 4.29Å; I244-W272 HydrophobicContact CG1-CH2 3.81Å; I244-W272 HydrophobicContact CG1-CZ2 3.99Å; I244-W272 HydrophobicContact CG1-CZ3 3.98Å; Q268-W272 PolarHBondContact O-N 3.42Å; L269-W272 CarbonylContact O-C 3.59Å; L269-W272 WeakPolarHBondContact O-CA 3.39Å; L269-W272 WeakPolarHBondContact O-CB 3.29Å; L269-W272 PolarHBondContact O-N 3.33Å; L270-W272 VanDerWaalsContact C-N 3.35Å; L270-W272 PolarHBondContact O-N 3.16Å; W272-G274 PolarHBondContact O-N 2.81Å
273	C	95.6	Very high	94.4	Very high	1 Å²	1	34 Å²	34	1%	0.007	19%	0.189	C	C	.	.	H	α-helix	trans	-62.9	-31.5	170.2	-72.7	0	0	0	0	111.9	R192 L269 L270 F278 L315	R192-C273 PolarHBondContact NH1-O 3.18Å; R192-C273 VanDerWaalsContact NH1-O 3.14Å; R192-C273 PolarHBondContact NH2-O 2.98Å; L269-C273 PolarHBondContact O-N 3.09Å; L270-C273 PolarHBondContact O-N 2.78Å; C273-F278 HydrophobicContact CB-CB 3.92Å; C273-F278 HydrophobicContact CB-CD1 4.17Å; C273-F278 HydrophobicContact CB-CD2 3.69Å; C273-F278 HydrophobicContact CB-CE2 4.23Å; C273-F278 HydrophobicContact CB-CG 3.65Å; C273-F278 WeakPolarHBondContact O-CD2 3.28Å; C273-L315 HydrophobicContact CB-CD1 4.17Å; C273-L315 HydrophobicContact CB-CD2 3.98Å
274	G	91.9	Very high	94.8	Very high	59 Å²	59	30.3 Å²	30.3	61%	0.608	18%	0.176	S	C	*	.	T	Hydrogen-bonded Turn	trans	87.6	24.2	177.7	0	0	0	0	0	113.8	L270 H271 W272	L270-G274 PolarHBondContact O-N 3.37Å; L270-G274 VanDerWaalsContact O-N 3.1Å; H271-G274 PolarHBondContact O-N 3.27Å; W272-G274 PolarHBondContact O-N 2.81Å
275	G	90.6	Very high	94.9	Very high	23 Å²	23	30.5 Å²	30.5	24%	0.237	18%	0.176	C	C	.	.	S	Bend	trans	97.4	-168.5	174.7	0	0	0	0	0	115.1	L270 L277 F278 L315	L270-G275 PolarHBondContact O-N 3.45Å; G275-L277 VanDerWaalsContact C-N 3.26Å; G275-L277 PolarHBondContact O-N 3.37Å; G275-F278 WeakPolarHBondContact O-CB 3.11Å; G275-F278 PolarHBondContact O-N 2.65Å; G275-F278 VanDerWaalsContact O-N 3.16Å; G275-L315 VanDerWaalsContact O-CD2 3.24Å; G275-L315 WeakPolarHBondContact O-CD2 3.25Å
276	P	93.1	Very high	94.6	Very high	78 Å²	78	31.8 Å²	31.8	51%	0.506	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-17	-165.1	26.4	-35.3	0	0	0	115	F278 A314 P316	P276-F278 VanDerWaalsContact C-N 3.25Å; P276-F278 PolarHBondContact O-N 3.03Å; P276-A314 WeakPolarHBondContact CA-O 3.28Å; P276-P316 HydrophobicContact CB-CG 4.25Å; P276-P316 WeakPolarHBondContact O-CD 3.41Å
277	L	94.9	Very high	94.3	Very high	142 Å²	142	31.4 Å²	31.4	74%	0.743	18%	0.181	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.1	0.9	176.4	-63.9	178.2	0	0	0	113.5	G275 D279	G275-L277 VanDerWaalsContact C-N 3.26Å; G275-L277 PolarHBondContact O-N 3.37Å; L277-D279 PolarHBondContact O-N 3Å
278	F	97.5	Very high	93.6	Very high	6 Å²	6	27.6 Å²	27.6	3%	0.026	17%	0.165	C	C	.	.			trans	-56.7	121.2	175.7	176.5	-102	0	0	0	111	R192 C273 G275 P276 G280 I282 L315 K317 A318	R192-F278 HydrophobicContact CB-CE2 3.87Å; R192-F278 HydrophobicContact CB-CZ 4.48Å; C273-F278 HydrophobicContact CB-CB 3.92Å; C273-F278 HydrophobicContact CB-CD1 4.17Å; C273-F278 HydrophobicContact CB-CD2 3.69Å; C273-F278 HydrophobicContact CB-CE2 4.23Å; C273-F278 HydrophobicContact CB-CG 3.65Å; C273-F278 WeakPolarHBondContact O-CD2 3.28Å; G275-F278 WeakPolarHBondContact O-CB 3.11Å; G275-F278 PolarHBondContact O-N 2.65Å; G275-F278 VanDerWaalsContact O-N 3.16Å; P276-F278 VanDerWaalsContact C-N 3.25Å; P276-F278 PolarHBondContact O-N 3.03Å; F278-G280 WeakPolarHBondContact CE1-O 3.26Å; F278-I282 HydrophobicContact CD1-CD1 4.43Å; F278-I282 HydrophobicContact CE1-CD1 4.07Å; F278-I282 HydrophobicContact CE1-CG1 3.9Å; F278-L315 HydrophobicContact CB-CD2 4.04Å; F278-L315 HydrophobicContact CD1-CD1 4.12Å; F278-K317 CarbonylContact O-C 3.57Å; F278-A318 HydrophobicContact CD1-CB 3.94Å; F278-A318 HydrophobicContact CE1-CB 4.3Å; F278-A318 WeakPolarHBondContact O-CA 3.45Å; F278-A318 PolarHBondContact O-N 2.97Å; F278-A318 VanDerWaalsContact O-N 3.07Å
279	D	97	Very high	92.9	Very high	60 Å²	60	34.2 Å²	34.2	32%	0.321	19%	0.19	S	C	.	.			trans	-113.5	9.4	-175.6	76.9	-35.2	0	0	0	113.6	R190 L277 R319	R190-D279 WeakPolarHBondContact CD-O 3.44Å; R190-D279 IonicContact CZ-OD2 3.01Å; R190-D279 IonicContact NE-OD2 2.8Å; R190-D279 PolarHBondContact NE-OD2 2.99Å; L277-D279 PolarHBondContact O-N 3Å; D279-R319 WeakPolarHBondContact O-CD 3.37Å; D279-R319 PolarHBondContact O-NE 2.7Å
280	G	97.4	Very high	92.1	Very high	1 Å²	1	34.3 Å²	34.3	1%	0.01	19%	0.19	C	C	.	.	S	Bend	trans	-75.8	174.2	177.9	0	0	0	0	0	113.6	F278 R319	F278-G280 WeakPolarHBondContact CE1-O 3.26Å; G280-R319 PolarHBondContact O-N 2.67Å
281	V	98.3	Very high	91.2	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82	132.9	-176.4	-173.5	0	0	0	0	110.9	I181 I182 N185 S193 I194 V283 R319 V321	I181-V281 HydrophobicContact CG2-CG1 4.21Å; I181-V281 HydrophobicContact CG2-CG2 4.35Å; I182-V281 HydrophobicContact CG1-CG1 4.35Å; N185-V281 HydrophobicContact CB-CG2 3.57Å; N185-V281 WeakPolarHBondContact ND2-CG2 3.31Å; S193-V281 CarbonylContact C-O 3.59Å; S193-V281 VanDerWaalsContact CA-O 3.23Å; S193-V281 WeakPolarHBondContact CA-O 3.05Å; I194-V281 PolarHBondContact N-O 3.19Å; V281-V283 HydrophobicContact CG1-CG2 3.84Å; V281-R319 WeakPolarHBondContact CA-O 3.46Å; V281-R319 HydrophobicContact CG2-CB 4.29Å; V281-V321 HydrophobicContact CG1-CG2 4.17Å
282	I	98.3	Very high	90.1	Very high	2 Å²	2	36.1 Å²	36.1	1%	0.01	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	114.4	168.2	-55.2	178.8	0	0	0	107.6	I194 F196 F278 L311 L315 A318 R319 I320 V321	I194-I282 HydrophobicContact CB-CG1 4.48Å; I194-I282 HydrophobicContact CB-CG2 4.41Å; I194-I282 WeakPolarHBondContact O-CA 3.46Å; F196-I282 HydrophobicContact CD2-CG2 4.16Å; F196-I282 HydrophobicContact CE2-CG2 3.98Å; F278-I282 HydrophobicContact CD1-CD1 4.43Å; F278-I282 HydrophobicContact CE1-CD1 4.07Å; F278-I282 HydrophobicContact CE1-CG1 3.9Å; I282-L311 HydrophobicContact CG2-CD2 4.24Å; I282-L315 HydrophobicContact CD1-CD1 3.6Å; I282-A318 HydrophobicContact CD1-CB 3.68Å; I282-A318 HydrophobicContact CG1-CB 4.16Å; I282-R319 PolarHBondContact N-O 2.99Å; I282-I320 HydrophobicContact CB-CD1 3.69Å; I282-I320 HydrophobicContact CD1-CD1 3.96Å; I282-I320 HydrophobicContact CG1-CD1 4.19Å; I282-I320 HydrophobicContact CG2-CD1 4.27Å; I282-I320 WeakPolarHBondContact O-CA 3.45Å; I282-V321 PolarHBondContact O-N 3.13Å
283	V	98.2	Very high	88.9	Confident	1 Å²	1	37 Å²	37	1%	0.006	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	124.7	178.8	-172	0	0	0	0	108.5	I178 I182 I194 W195 F196 V281 D285 V321	I178-V283 HydrophobicContact CD1-CG1 3.9Å; I178-V283 HydrophobicContact CG1-CG1 4.05Å; I178-V283 HydrophobicContact CG2-CB 4.22Å; I178-V283 HydrophobicContact CG2-CG1 3.71Å; I178-V283 HydrophobicContact CG2-CG2 3.63Å; I182-V283 HydrophobicContact CD1-CG2 4.19Å; I182-V283 HydrophobicContact CG1-CG2 4.43Å; I194-V283 PolarHBondContact O-N 2.81Å; W195-V283 HydrophobicContact CG-CB 4.27Å; F196-V283 PolarHBondContact N-O 2.81Å; V281-V283 HydrophobicContact CG1-CG2 3.84Å; V283-D285 HydrophobicContact CG1-CB 4.13Å; V283-V321 WeakPolarHBondContact CA-O 3.29Å
284	L	96.3	Very high	87.7	Confident	2 Å²	2	39.5 Å²	39.5	1%	0.01	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	84.8	167.1	-61.4	170.1	0	0	0	106.7	F196 Y248 C287 V308 I320 V321 Y322 A323	F196-L284 HydrophobicContact CB-CD2 4.22Å; F196-L284 HydrophobicContact CD2-CD2 3.68Å; F196-L284 HydrophobicContact CE2-CD2 4.45Å; F196-L284 HydrophobicContact CG-CD2 4.25Å; Y248-L284 HydrophobicContact CE1-CD2 4.22Å; Y248-L284 WeakPolarHBondContact OH-CA 3.36Å; L284-C287 HydrophobicContact CB-CB 3.79Å; L284-C287 VanDerWaalsContact O-CB 3.29Å; L284-C287 WeakPolarHBondContact O-CB 3.2Å; L284-V308 HydrophobicContact CD1-CG1 3.86Å; L284-V308 HydrophobicContact CD2-CG1 4.09Å; L284-V308 HydrophobicContact CD2-CG2 4.47Å; L284-I320 HydrophobicContact CD1-CG2 4.18Å; L284-V321 PolarHBondContact N-O 2.99Å; L284-Y322 HydrophobicContact CB-CD1 4.31Å; L284-Y322 HydrophobicContact CD1-CD1 3.66Å; L284-Y322 HydrophobicContact CD1-CE1 3.55Å; L284-A323 PolarHBondContact O-N 2.77Å
285	D	93.6	Very high	86.1	Confident	18 Å²	18	37.6 Å²	37.6	10%	0.096	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	142.5	177.1	178.4	38.3	0	0	0	110.1	I178 F196 S197 Y248 V283 C287	I178-D285 HydrophobicContact CD1-CB 4.3Å; F196-D285 WeakPolarHBondContact O-CA 3.4Å; F196-D285 WeakPolarHBondContact O-CB 3.48Å; F196-D285 PolarHBondContact O-N 2.9Å; S197-D285 PolarHBondContact OG-OD2 3.24Å; Y248-D285 WeakPolarHBondContact CE2-O 3.22Å; Y248-D285 PolarHBondContact OH-N 2.85Å; Y248-D285 PolarHBondContact OH-O 3.48Å; V283-D285 HydrophobicContact CG1-CB 4.13Å; D285-C287 PolarHBondContact O-N 2.96Å
286	E	86.2	Confident	84.6	Confident	40 Å²	40	40.8 Å²	40.8	19%	0.187	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	47.3	43.7	-167.2	-62.6	-59.2	158.1	0	0	112.7	V198 H288 R289 A323	V198-E286 HydrophobicContact CG1-CB 3.68Å; V198-E286 HydrophobicContact CG1-CG 4.37Å; V198-E286 HydrophobicContact CG2-CG 4.45Å; E286-H288 PolarHBondContact O-N 3.47Å; E286-H288 IonicContact OE2-CE1 2.72Å; E286-H288 PolarHBondContact OE2-CE1 2.65Å; E286-H288 IonicContact OE2-ND1 2.69Å; E286-H288 PolarHBondContact OE2-ND1 3.1Å; E286-R289 PolarHBondContact O-N 3.36Å; E286-A323 WeakPolarHBondContact CA-O 3.27Å; E286-A323 PolarHBondContact N-O 2.93Å
287	C	86.2	Confident	82.9	Confident	0 Å²	0	40.3 Å²	40.3	0%	0	22%	0.224	C	C	.	.	G	3₁₀ helix	trans	-62.2	-10.3	-170.6	57.3	0	0	0	0	115.4	Y248 L284 D285 R289 A290 A323 S324 Y336	Y248-C287 WeakPolarHBondContact OH-CA 3.44Å; L284-C287 HydrophobicContact CB-CB 3.79Å; L284-C287 VanDerWaalsContact O-CB 3.29Å; L284-C287 WeakPolarHBondContact O-CB 3.2Å; D285-C287 PolarHBondContact O-N 2.96Å; C287-R289 PolarHBondContact O-N 2.63Å; C287-A290 WeakPolarHBondContact O-CB 3.09Å; C287-A290 PolarHBondContact O-N 3.1Å; C287-A323 PolarHBondContact N-O 2.86Å; C287-S324 VanDerWaalsContact SG-CB 3.53Å; C287-Y336 HydrophobicContact CB-CE2 3.57Å; C287-Y336 WeakPolarHBondContact O-CE1 3.26Å; C287-Y336 PolarHBondContact O-OH 3.44Å; C287-Y336 PolarHBondContact SG-OH 2.98Å
288	H	77.1	Confident	80.9	Confident	32 Å²	32	39.1 Å²	39.1	15%	0.148	23%	0.228	C	C	.	.	G	3₁₀ helix	trans	-55.5	-17.8	170.1	69.2	-97.8	0	0	0	112.9	E286 A290 K291 S324 Y336	E286-H288 PolarHBondContact O-N 3.47Å; E286-H288 IonicContact OE2-CE1 2.72Å; E286-H288 PolarHBondContact OE2-CE1 2.65Å; E286-H288 IonicContact OE2-ND1 2.69Å; E286-H288 PolarHBondContact OE2-ND1 3.1Å; H288-A290 PolarHBondContact O-N 2.93Å; H288-K291 WeakPolarHBondContact O-CB 3.48Å; H288-K291 VanDerWaalsContact O-CD 3.23Å; H288-K291 WeakPolarHBondContact O-CD 3.45Å; H288-K291 WeakPolarHBondContact O-CG 3.35Å; H288-K291 PolarHBondContact O-N 2.78Å; H288-K291 VanDerWaalsContact O-N 3.11Å; H288-S324 PolarHBondContact ND1-OG 3.35Å; H288-Y336 PolarHBondContact N-OH 3.03Å
289	R	78.1	Confident	79.1	Confident	140 Å²	140	41.8 Å²	41.8	53%	0.528	25%	0.248	S	C	.	.	G	3₁₀ helix	trans	-62	-20.7	169.6	-69.4	-60.9	-175.8	162.6	-0.1	114.6	V198 Y248 E286 C287	V198-R289 HydrophobicContact CG1-CG 3.58Å; Y248-R289 HydrophobicContact CD2-CB 3.85Å; Y248-R289 HydrophobicContact CD2-CG 4.06Å; Y248-R289 HydrophobicContact CE2-CB 4.08Å; Y248-R289 HydrophobicContact CE2-CG 4.32Å; Y248-R289 HydrophobicContact CG-CB 4.14Å; E286-R289 PolarHBondContact O-N 3.36Å; C287-R289 PolarHBondContact O-N 2.63Å
290	A	79.4	Confident	77.9	Confident	1 Å²	1	48.7 Å²	48.7	1%	0.008	27%	0.269	C	S	.	.	G	3₁₀ helix	trans	-92.5	3.3	175.5	0	0	0	0	0	113.4	C287 H288 N292 V308 Y336	C287-A290 WeakPolarHBondContact O-CB 3.09Å; C287-A290 PolarHBondContact O-N 3.1Å; H288-A290 PolarHBondContact O-N 2.93Å; A290-N292 VanDerWaalsContact C-N 3.3Å; A290-N292 PolarHBondContact O-N 2.89Å; A290-V308 HydrophobicContact CB-CB 4.42Å; A290-V308 HydrophobicContact CB-CG1 4.36Å; A290-V308 HydrophobicContact CB-CG2 4.31Å; A290-Y336 HydrophobicContact CB-CD1 3.72Å; A290-Y336 HydrophobicContact CB-CD2 4.21Å; A290-Y336 HydrophobicContact CB-CE1 4.08Å; A290-Y336 HydrophobicContact CB-CG 3.79Å; A290-Y336 WeakPolarHBondContact O-CD1 3.03Å
291	K	76	Confident	76.9	Confident	68 Å²	68	51 Å²	51	30%	0.296	28%	0.284	S	S	.	.			trans	-62.3	-29.4	-171	76.3	-170.6	-165.3	140.3	0	114.8	H288 L293 H333 Y336	H288-K291 WeakPolarHBondContact O-CB 3.48Å; H288-K291 VanDerWaalsContact O-CD 3.23Å; H288-K291 WeakPolarHBondContact O-CD 3.45Å; H288-K291 WeakPolarHBondContact O-CG 3.35Å; H288-K291 PolarHBondContact O-N 2.78Å; H288-K291 VanDerWaalsContact O-N 3.11Å; K291-L293 PolarHBondContact O-N 2.82Å; K291-H333 HydrophobicContact CB-CB 3.97Å; K291-H333 WeakPolarHBondContact CD-NE2 3.45Å; K291-H333 PolarHBondContact NZ-CE1 3.31Å; K291-H333 VanDerWaalsContact NZ-CE1 3.34Å; K291-H333 PolarHBondContact NZ-NE2 2.89Å; K291-Y336 HydrophobicContact CB-CE1 4.37Å
292	N	71.2	Confident	76.1	Confident	72 Å²	72	53 Å²	53	39%	0.385	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.3	40.8	-178.3	-64	-14.9	0	0	0	112.1	A290 P301 T302	A290-N292 VanDerWaalsContact C-N 3.3Å; A290-N292 PolarHBondContact O-N 2.89Å; N292-P301 WeakPolarHBondContact O-CA 3.48Å; N292-T302 HydrophobicContact CB-CG2 3.5Å; N292-T302 PolarHBondContact O-N 2.67Å; N292-T302 PolarHBondContact O-OG1 3.39Å
293	L	70.6	Confident	75.4	Confident	30 Å²	30	57.7 Å²	57.7	16%	0.157	32%	0.316	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.2	-36.1	170	-177.8	71.5	0	0	0	110.6	K291 P301 K306 M309 A335	K291-L293 PolarHBondContact O-N 2.82Å; L293-P301 VanDerWaalsContact O-CB 3.24Å; L293-P301 WeakPolarHBondContact O-CB 3.23Å; L293-P301 WeakPolarHBondContact O-CG 3.41Å; L293-K306 HydrophobicContact CD1-CG 4.44Å; L293-M309 HydrophobicContact CD1-CG 3.9Å; L293-M309 HydrophobicContact CD2-CG 3.43Å; L293-M309 VanDerWaalsContact CD2-CG 3.43Å; L293-M309 HydrophobicContact CD2-SD 3.96Å; L293-M309 HydrophobicContact CG-CG 4.33Å; L293-A335 HydrophobicContact CB-CB 4.26Å; L293-A335 HydrophobicContact CD2-CB 4.04Å
294	V	69.5	Low	74.7	Confident	54 Å²	54	58.9 Å²	58.9	33%	0.327	32%	0.324	S	S	.	.	S	Bend	trans	-124.1	84.8	172.3	-175.6	0	0	0	0	107	A335 F352	V294-A335 HydrophobicContact CB-CB 4.44Å; V294-A335 HydrophobicContact CG2-CB 3.92Å; V294-F352 HydrophobicContact CB-CE1 4.02Å; V294-F352 HydrophobicContact CG1-CE1 4.31Å; V294-F352 HydrophobicContact CG2-CD1 3.99Å; V294-F352 HydrophobicContact CG2-CE1 3.76Å
295	P	58.4	Low	74.3	Confident	20 Å²	20	58.8 Å²	58.8	13%	0.13	32%	0.323	C	S	.	.			trans	-68.5	158.8	-174.9	26.3	-31.8	0	0	0	112.5	G297 S299	P295-G297 PolarHBondContact O-N 3.28Å; P295-S299 WeakPolarHBondContact CB-OG 3.33Å; P295-S299 WeakPolarHBondContact CG-O 3.47Å; P295-S299 VanDerWaalsContact CG-OG 3.27Å; P295-S299 WeakPolarHBondContact CG-OG 3.37Å
296	S	58.6	Low	74	Confident	90 Å²	90	63.4 Å²	63.4	63%	0.629	34%	0.342	S	S	*	.	S	Bend	trans	-76.1	106.4	171	-54.1	0	0	0	0	108.5
297	G	59	Low	74.2	Confident	67 Å²	67	62 Å²	62	69%	0.691	34%	0.337	S	S	*	.	S	Bend	trans	105.4	-160.6	-179.6	0	0	0	0	0	114.2	P295 S299	P295-G297 PolarHBondContact O-N 3.28Å; G297-S299 VanDerWaalsContact C-N 3.27Å; G297-S299 PolarHBondContact O-N 3.47Å
298	S	52.9	Low	74.5	Confident	118 Å²	118	62 Å²	62	83%	0.825	34%	0.337	S	S	*	.	S	Bend	trans	-83	10.2	-173.2	54.4	0	0	0	0	115
299	S	59	Low	75.1	Confident	62 Å²	62	62.3 Å²	62.3	43%	0.434	34%	0.339	S	S	.	.	P	Polyproline II helix	trans	-75.7	152.3	-177.5	61.8	0	0	0	0	112.3	P295 G297	P295-S299 WeakPolarHBondContact CB-OG 3.33Å; P295-S299 WeakPolarHBondContact CG-O 3.47Å; P295-S299 VanDerWaalsContact CG-OG 3.27Å; P295-S299 WeakPolarHBondContact CG-OG 3.37Å; G297-S299 VanDerWaalsContact C-N 3.27Å; G297-S299 PolarHBondContact O-N 3.47Å
300	R	71.9	Confident	75.9	Confident	205 Å²	205	60.2 Å²	60.2	77%	0.774	34%	0.335	S	S	*	.	P	Polyproline II helix	trans	-77.6	146.5	-179.8	-71.5	-177.9	-178.7	159.9	6.3	110.8	T302 E613	R300-T302 PolarHBondContact O-N 3.03Å; R300-E613 IonicContact NH2-OE1 3.43Å
301	P	77	Confident	76.6	Confident	48 Å²	48	60.2 Å²	60.2	31%	0.312	34%	0.335	S	S	.	.	P	Polyproline II helix	trans	-57.3	138.8	174.2	-23	31.6	0	0	0	112	N292 L293 K306	N292-P301 WeakPolarHBondContact O-CA 3.48Å; L293-P301 VanDerWaalsContact O-CB 3.24Å; L293-P301 WeakPolarHBondContact O-CB 3.23Å; L293-P301 WeakPolarHBondContact O-CG 3.41Å; P301-K306 HydrophobicContact CB-CG 4.17Å
302	T	80.9	Confident	77.5	Confident	43 Å²	43	57.1 Å²	57.1	26%	0.264	32%	0.321	S	S	.	.	P	Polyproline II helix	trans	-61.8	142.3	178.5	55.5	0	0	0	0	111.6	N292 R300 T304 G305 K306	N292-T302 HydrophobicContact CB-CG2 3.5Å; N292-T302 PolarHBondContact O-N 2.67Å; N292-T302 PolarHBondContact O-OG1 3.39Å; R300-T302 PolarHBondContact O-N 3.03Å; T302-T304 PolarHBondContact O-N 3.39Å; T302-G305 PolarHBondContact O-N 2.78Å; T302-G305 VanDerWaalsContact O-N 3.1Å; T302-G305 PolarHBondContact OG1-N 2.98Å; T302-K306 PolarHBondContact O-N 3.13Å
303	K	83.2	Confident	78.6	Confident	100 Å²	100	58 Å²	58	44%	0.435	33%	0.329	S	S	.	.	H	α-helix	trans	-53.7	-41.4	174.4	-167.9	179	-178	-169.9	0	110.8	I252 E254 K306 T307	I252-K303 HydrophobicContact CB-CD 4.06Å; I252-K303 HydrophobicContact CB-CG 4.28Å; I252-K303 HydrophobicContact CG2-CB 4.4Å; I252-K303 HydrophobicContact CG2-CD 4.35Å; I252-K303 HydrophobicContact CG2-CG 4Å; I252-K303 PolarHBondContact O-NZ 2.89Å; E254-K303 WeakPolarHBondContact OE1-CE 3.37Å; E254-K303 IonicContact OE1-NZ 2.78Å; E254-K303 PolarHBondContact OE1-NZ 3.15Å; K303-K306 PolarHBondContact O-N 3.04Å; K303-T307 PolarHBondContact O-N 3.08Å; K303-T307 PolarHBondContact O-OG1 3.49Å
304	T	84.2	Confident	79.8	Confident	26 Å²	26	58.2 Å²	58.2	16%	0.16	34%	0.336	C	S	.	.	H	α-helix	trans	-56.2	-51.8	174.9	-53.3	0	0	0	0	112.6	Y248 T302 K306 T307 V308	Y248-T304 HydrophobicContact CD1-CG2 3.87Å; Y248-T304 HydrophobicContact CG-CG2 4.15Å; T302-T304 PolarHBondContact O-N 3.39Å; T304-K306 VanDerWaalsContact C-N 3.34Å; T304-K306 PolarHBondContact O-N 2.95Å; T304-T307 PolarHBondContact O-N 3.02Å; T304-V308 VanDerWaalsContact O-CG2 3.31Å; T304-V308 WeakPolarHBondContact O-CG2 3.37Å; T304-V308 PolarHBondContact O-N 3.22Å
305	G	86.4	Confident	81.1	Confident	0 Å²	0	55.7 Å²	55.7	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-59.3	-44.6	178.3	0	0	0	0	0	112	T302 V308 M309	T302-G305 PolarHBondContact O-N 2.78Å; T302-G305 VanDerWaalsContact O-N 3.1Å; T302-G305 PolarHBondContact OG1-N 2.98Å; G305-V308 PolarHBondContact O-N 2.92Å; G305-M309 WeakPolarHBondContact O-CG 3.48Å; G305-M309 PolarHBondContact O-N 3.35Å
306	K	88.1	Confident	83	Confident	115 Å²	115	56.2 Å²	56.2	50%	0.5	32%	0.324	S	S	.	.	H	α-helix	trans	-61.2	-46.2	177.3	-68.1	-171.6	-177.8	-170.2	0	112.3	L293 P301 T302 K303 T304 M309 E310	L293-K306 HydrophobicContact CD1-CG 4.44Å; P301-K306 HydrophobicContact CB-CG 4.17Å; T302-K306 PolarHBondContact O-N 3.13Å; K303-K306 PolarHBondContact O-N 3.04Å; T304-K306 VanDerWaalsContact C-N 3.34Å; T304-K306 PolarHBondContact O-N 2.95Å; K306-M309 WeakPolarHBondContact O-CB 3.38Å; K306-M309 PolarHBondContact O-N 3.25Å; K306-E310 WeakPolarHBondContact O-CB 3.16Å; K306-E310 PolarHBondContact O-N 2.96Å
307	T	90	Very high	84.8	Confident	11 Å²	11	55 Å²	55	7%	0.067	31%	0.307	C	S	.	.	H	α-helix	trans	-68.4	-34.7	-179.5	-54.3	0	0	0	0	112.2	L251 I266 K303 T304 M309 E310 L311	L251-T307 HydrophobicContact CD1-CG2 4.13Å; L251-T307 HydrophobicContact CD2-CG2 4.03Å; L251-T307 HydrophobicContact CG-CG2 3.73Å; I266-T307 HydrophobicContact CB-CG2 3.91Å; I266-T307 HydrophobicContact CD1-CG2 3.61Å; I266-T307 HydrophobicContact CG1-CG2 4.31Å; I266-T307 HydrophobicContact CG2-CG2 4.19Å; K303-T307 PolarHBondContact O-N 3.08Å; K303-T307 PolarHBondContact O-OG1 3.49Å; T304-T307 PolarHBondContact O-N 3.02Å; T307-M309 VanDerWaalsContact C-N 3.34Å; T307-E310 PolarHBondContact O-N 2.63Å; T307-L311 WeakPolarHBondContact O-CB 3.39Å; T307-L311 PolarHBondContact O-N 3.15Å
308	V	92.5	Very high	86.7	Confident	1 Å²	1	51.8 Å²	51.8	1%	0.006	27%	0.274	C	S	.	.	H	α-helix	trans	-64.2	-40.2	172.2	169.2	0	0	0	0	111	Y248 L251 L284 A290 T304 G305 Q312	Y248-V308 HydrophobicContact CD1-CG2 4.12Å; Y248-V308 HydrophobicContact CE1-CG2 4.12Å; L251-V308 HydrophobicContact CD2-CG2 4.11Å; L284-V308 HydrophobicContact CD1-CG1 3.86Å; L284-V308 HydrophobicContact CD2-CG1 4.09Å; L284-V308 HydrophobicContact CD2-CG2 4.47Å; A290-V308 HydrophobicContact CB-CB 4.42Å; A290-V308 HydrophobicContact CB-CG1 4.36Å; A290-V308 HydrophobicContact CB-CG2 4.31Å; T304-V308 VanDerWaalsContact O-CG2 3.31Å; T304-V308 WeakPolarHBondContact O-CG2 3.37Å; T304-V308 PolarHBondContact O-N 3.22Å; G305-V308 PolarHBondContact O-N 2.92Å; V308-Q312 WeakPolarHBondContact O-CG 3.41Å; V308-Q312 PolarHBondContact O-N 3.39Å; V308-Q312 PolarHBondContact O-NE2 3.11Å
309	M	91.4	Very high	88.9	Confident	38 Å²	38	46.3 Å²	46.3	19%	0.187	24%	0.235	C	C	.	.	H	α-helix	trans	-65.8	-47.8	173.7	-75.5	-54.8	-61	0	0	112.5	L293 G305 K306 T307 L311 Q312 T313 T338	L293-M309 HydrophobicContact CD1-CG 3.9Å; L293-M309 HydrophobicContact CD2-CG 3.43Å; L293-M309 VanDerWaalsContact CD2-CG 3.43Å; L293-M309 HydrophobicContact CD2-SD 3.96Å; L293-M309 HydrophobicContact CG-CG 4.33Å; G305-M309 WeakPolarHBondContact O-CG 3.48Å; G305-M309 PolarHBondContact O-N 3.35Å; K306-M309 WeakPolarHBondContact O-CB 3.38Å; K306-M309 PolarHBondContact O-N 3.25Å; T307-M309 VanDerWaalsContact C-N 3.34Å; M309-L311 VanDerWaalsContact C-N 3.26Å; M309-L311 PolarHBondContact O-N 2.92Å; M309-Q312 PolarHBondContact O-N 3.36Å; M309-Q312 VanDerWaalsContact O-N 3.08Å; M309-T313 PolarHBondContact O-N 3.35Å; M309-T313 PolarHBondContact O-OG1 2.97Å; M309-T338 HydrophobicContact CE-CG2 3.53Å; M309-T338 HydrophobicContact SD-CG2 4.16Å
310	E	93.7	Very high	90.7	Very high	95 Å²	95	43.4 Å²	43.4	44%	0.444	22%	0.215	S	C	.	.	H	α-helix	trans	-54.7	-43.1	177.2	-174.2	-173.3	163.5	0	0	111.6	I266 K306 T307 Q312 T313 A314	I266-E310 HydrophobicContact CD1-CB 3.88Å; I266-E310 HydrophobicContact CD1-CG 3.78Å; K306-E310 WeakPolarHBondContact O-CB 3.16Å; K306-E310 PolarHBondContact O-N 2.96Å; T307-E310 PolarHBondContact O-N 2.63Å; E310-Q312 PolarHBondContact O-N 2.84Å; E310-T313 PolarHBondContact O-N 3.16Å; E310-A314 VanDerWaalsContact O-CB 3.27Å; E310-A314 WeakPolarHBondContact O-CB 3.38Å; E310-A314 PolarHBondContact O-N 2.74Å
311	L	94.6	Very high	92	Very high	2 Å²	2	33.6 Å²	33.6	1%	0.01	18%	0.178	C	C	.	.	H	α-helix	trans	-61.1	-44.9	176.7	-179.7	69.5	0	0	0	112.2	F196 I266 L270 I282 T307 M309 A314 L315	F196-L311 HydrophobicContact CE2-CD2 3.44Å; F196-L311 VanDerWaalsContact CE2-CD2 3.44Å; F196-L311 HydrophobicContact CZ-CD2 3.8Å; I266-L311 HydrophobicContact CD1-CB 4.08Å; L270-L311 HydrophobicContact CD2-CD1 3.8Å; I282-L311 HydrophobicContact CG2-CD2 4.24Å; T307-L311 WeakPolarHBondContact O-CB 3.39Å; T307-L311 PolarHBondContact O-N 3.15Å; M309-L311 VanDerWaalsContact C-N 3.26Å; M309-L311 PolarHBondContact O-N 2.92Å; L311-A314 PolarHBondContact O-N 3.26Å; L311-L315 HydrophobicContact CD1-CD1 3.76Å; L311-L315 HydrophobicContact CG-CD1 4.42Å; L311-L315 PolarHBondContact O-N 3.49Å
312	Q	95.2	Very high	92.9	Very high	3 Å²	3	31.3 Å²	31.3	1%	0.014	16%	0.163	C	C	.	.	H	α-helix	trans	-64.8	-45.5	179.9	-70.3	179.3	92.9	0	0	110.9	V308 M309 E310 A314 L315 I320 Y322 Y336 R339	V308-Q312 WeakPolarHBondContact O-CG 3.41Å; V308-Q312 PolarHBondContact O-N 3.39Å; V308-Q312 PolarHBondContact O-NE2 3.11Å; M309-Q312 PolarHBondContact O-N 3.36Å; M309-Q312 VanDerWaalsContact O-N 3.08Å; E310-Q312 PolarHBondContact O-N 2.84Å; Q312-A314 VanDerWaalsContact C-N 3.35Å; Q312-A314 PolarHBondContact O-N 2.76Å; Q312-L315 CarbonylContact O-C 3.58Å; Q312-L315 PolarHBondContact O-N 2.87Å; Q312-I320 HydrophobicContact CG-CD1 4.49Å; Q312-Y322 PolarHBondContact OE1-OH 3.13Å; Q312-Y336 PolarHBondContact NE2-O 3.41Å; Q312-R339 PolarHBondContact O-NH2 3.16Å
313	T	94.1	Very high	93.5	Very high	89 Å²	89	29.3 Å²	29.3	55%	0.546	15%	0.151	S	C	.	.	H	α-helix	trans	-62.3	-41.2	177.4	-56.1	0	0	0	0	111.9	M309 E310 L315	M309-T313 PolarHBondContact O-N 3.35Å; M309-T313 PolarHBondContact O-OG1 2.97Å; E310-T313 PolarHBondContact O-N 3.16Å; T313-L315 VanDerWaalsContact C-N 3.26Å; T313-L315 PolarHBondContact O-N 3.29Å
314	A	95.8	Very high	93.6	Very high	36 Å²	36	24.5 Å²	24.5	30%	0.298	13%	0.13	S	C	.	.	H	α-helix	trans	-70.1	-20.9	179.7	0	0	0	0	0	113.6	L270 P276 E310 L311 Q312 P316	L270-A314 HydrophobicContact CD1-CB 3.94Å; L270-A314 HydrophobicContact CD2-CB 3.56Å; L270-A314 HydrophobicContact CG-CB 4.42Å; P276-A314 WeakPolarHBondContact CA-O 3.28Å; E310-A314 VanDerWaalsContact O-CB 3.27Å; E310-A314 WeakPolarHBondContact O-CB 3.38Å; E310-A314 PolarHBondContact O-N 2.74Å; L311-A314 PolarHBondContact O-N 3.26Å; Q312-A314 VanDerWaalsContact C-N 3.35Å; Q312-A314 PolarHBondContact O-N 2.76Å; A314-P316 VanDerWaalsContact C-CD 3.48Å; A314-P316 WeakPolarHBondContact O-CD 3.3Å
315	L	97.4	Very high	93.3	Very high	1 Å²	1	24.9 Å²	24.9	1%	0.005	14%	0.135	C	C	.	.			trans	-125	66.4	-178	-55	176.9	0	0	0	111.1	L270 C273 G275 F278 I282 L311 Q312 T313 K317 A318	L270-L315 HydrophobicContact CD2-CD1 3.9Å; L270-L315 HydrophobicContact CD2-CD2 3.79Å; L270-L315 HydrophobicContact CD2-CG 3.66Å; C273-L315 HydrophobicContact CB-CD1 4.17Å; C273-L315 HydrophobicContact CB-CD2 3.98Å; G275-L315 VanDerWaalsContact O-CD2 3.24Å; G275-L315 WeakPolarHBondContact O-CD2 3.25Å; F278-L315 HydrophobicContact CB-CD2 4.04Å; F278-L315 HydrophobicContact CD1-CD1 4.12Å; I282-L315 HydrophobicContact CD1-CD1 3.6Å; L311-L315 HydrophobicContact CD1-CD1 3.76Å; L311-L315 HydrophobicContact CG-CD1 4.42Å; L311-L315 PolarHBondContact O-N 3.49Å; Q312-L315 CarbonylContact O-C 3.58Å; Q312-L315 PolarHBondContact O-N 2.87Å; T313-L315 VanDerWaalsContact C-N 3.26Å; T313-L315 PolarHBondContact O-N 3.29Å; L315-K317 PolarHBondContact O-N 3.46Å; L315-K317 VanDerWaalsContact O-N 3.16Å; L315-A318 HydrophobicContact CB-CB 3.95Å; L315-A318 VanDerWaalsContact O-CB 3.29Å; L315-A318 WeakPolarHBondContact O-CB 3.28Å; L315-A318 PolarHBondContact O-N 3.49Å; L315-A318 VanDerWaalsContact O-N 3.12Å
316	P	96.9	Very high	92.5	Very high	30 Å²	30	25.9 Å²	25.9	20%	0.195	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-23	-171.9	26.7	-36.4	0	0	0	114.1	E160 R161 P276 A314	E160-P316 WeakPolarHBondContact CA-O 3.5Å; E160-P316 HydrophobicContact CG-CB 4.12Å; R161-P316 PolarHBondContact N-O 3.19Å; P276-P316 HydrophobicContact CB-CG 4.25Å; P276-P316 WeakPolarHBondContact O-CD 3.41Å; A314-P316 VanDerWaalsContact C-CD 3.48Å; A314-P316 WeakPolarHBondContact O-CD 3.3Å
317	K	97.6	Very high	91.4	Very high	65 Å²	65	20.4 Å²	20.4	28%	0.283	12%	0.118	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.1	-1.3	179.6	-57.2	-53.9	-177.6	-175.4	0	113.9	G159 R161 F278 L315	G159-K317 PolarHBondContact O-NZ 3.44Å; R161-K317 PolarHBondContact NE-O 2.92Å; F278-K317 CarbonylContact O-C 3.57Å; L315-K317 PolarHBondContact O-N 3.46Å; L315-K317 VanDerWaalsContact O-N 3.16Å
318	A	98	Very high	90.4	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	12%	0.12	C	C	.	.	S	Bend	trans	-68.2	151.2	-178.6	0	0	0	0	0	112.3	F278 I282 L315 I320	F278-A318 HydrophobicContact CD1-CB 3.94Å; F278-A318 HydrophobicContact CE1-CB 4.3Å; F278-A318 WeakPolarHBondContact O-CA 3.45Å; F278-A318 PolarHBondContact O-N 2.97Å; F278-A318 VanDerWaalsContact O-N 3.07Å; I282-A318 HydrophobicContact CD1-CB 3.68Å; I282-A318 HydrophobicContact CG1-CB 4.16Å; L315-A318 HydrophobicContact CB-CB 3.95Å; L315-A318 VanDerWaalsContact O-CB 3.29Å; L315-A318 WeakPolarHBondContact O-CB 3.28Å; L315-A318 PolarHBondContact O-N 3.49Å; L315-A318 VanDerWaalsContact O-N 3.12Å; A318-I320 HydrophobicContact CB-CD1 3.89Å; A318-I320 PolarHBondContact O-N 2.7Å
319	R	98.3	Very high	89.2	Confident	2 Å²	2	23.3 Å²	23.3	1%	0.008	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	91.9	179.8	-71.4	179.7	-174.3	-100.8	-7.1	109.7	H152 E153 R161 N185 D279 G280 V281 I282	H152-R319 VanDerWaalsContact C-NH1 3.34Å; H152-R319 HydrophobicContact CB-CB 4.48Å; H152-R319 HydrophobicContact CB-CG 3.94Å; H152-R319 PolarHBondContact O-NH1 3.14Å; H152-R319 VanDerWaalsContact O-NH1 3.15Å; E153-R319 IonicContact OE1-CZ 3.07Å; E153-R319 VanDerWaalsContact OE1-CZ 3.27Å; E153-R319 IonicContact OE1-NH1 3.34Å; E153-R319 PolarHBondContact OE1-NH1 3.25Å; E153-R319 IonicContact OE1-NH2 2.88Å; E153-R319 PolarHBondContact OE1-NH2 2.99Å; E153-R319 IonicContact OE2-NH2 3.27Å; R161-R319 VanDerWaalsContact CD-CG 3.49Å; N185-R319 VanDerWaalsContact OD1-CD 3.25Å; N185-R319 WeakPolarHBondContact OD1-CD 3.36Å; D279-R319 WeakPolarHBondContact O-CD 3.37Å; D279-R319 PolarHBondContact O-NE 2.7Å; G280-R319 PolarHBondContact O-N 2.67Å; V281-R319 WeakPolarHBondContact CA-O 3.46Å; V281-R319 HydrophobicContact CG2-CB 4.29Å; I282-R319 PolarHBondContact N-O 2.99Å
320	I	98	Very high	88.2	Confident	1 Å²	1	25.8 Å²	25.8	1%	0.005	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	128.1	-174.9	-52	-52.7	0	0	0	110.4	H152 G163 Y164 I282 L284 Q312 A318 Y322 R339	H152-I320 PolarHBondContact NE2-O 3.31Å; G163-I320 VanDerWaalsContact CA-O 3.29Å; G163-I320 WeakPolarHBondContact CA-O 3.41Å; Y164-I320 PolarHBondContact N-O 3.37Å; Y164-I320 VanDerWaalsContact N-O 3.14Å; I282-I320 HydrophobicContact CB-CD1 3.69Å; I282-I320 HydrophobicContact CD1-CD1 3.96Å; I282-I320 HydrophobicContact CG1-CD1 4.19Å; I282-I320 HydrophobicContact CG2-CD1 4.27Å; I282-I320 WeakPolarHBondContact O-CA 3.45Å; L284-I320 HydrophobicContact CD1-CG2 4.18Å; Q312-I320 HydrophobicContact CG-CD1 4.49Å; A318-I320 HydrophobicContact CB-CD1 3.89Å; A318-I320 PolarHBondContact O-N 2.7Å; I320-Y322 HydrophobicContact CG2-CD1 4.11Å; I320-Y322 HydrophobicContact CG2-CD2 4.33Å; I320-Y322 HydrophobicContact CG2-CE1 3.61Å; I320-Y322 HydrophobicContact CG2-CE2 3.86Å; I320-Y322 HydrophobicContact CG2-CG 4.45Å; I320-Y322 VanDerWaalsContact CG2-CZ 3.46Å; I320-R339 HydrophobicContact CB-CB 4.38Å; I320-R339 HydrophobicContact CB-CG 4.15Å; I320-R339 HydrophobicContact CG1-CG 3.81Å
321	V	98.3	Very high	87.3	Confident	0 Å²	0	22 Å²	22	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	116.7	170.3	-179.4	0	0	0	0	107.9	Y164 I166 I181 V281 I282 V283 L284	Y164-V321 WeakPolarHBondContact O-CA 3.23Å; I166-V321 HydrophobicContact CD1-CG1 3.67Å; I166-V321 HydrophobicContact CG1-CG1 4.08Å; I181-V321 HydrophobicContact CD1-CG1 4.19Å; I181-V321 HydrophobicContact CD1-CG2 4.1Å; I181-V321 HydrophobicContact CG2-CG2 4.13Å; V281-V321 HydrophobicContact CG1-CG2 4.17Å; I282-V321 PolarHBondContact O-N 3.13Å; V283-V321 WeakPolarHBondContact CA-O 3.29Å; L284-V321 PolarHBondContact N-O 2.99Å
322	Y	96.9	Very high	86.6	Confident	0 Å²	0	24.9 Å²	24.9	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	131	168.5	-51.3	-76.9	0	0	0	107.7	Y164 L165 I166 L284 Q312 I320 Y336 M337 R339 L340	Y164-Y322 PolarHBondContact O-N 3.5Å; L165-Y322 CarbonylContact C-O 3.54Å; L165-Y322 WeakPolarHBondContact CA-O 3.46Å; I166-Y322 PolarHBondContact N-O 2.65Å; L284-Y322 HydrophobicContact CB-CD1 4.31Å; L284-Y322 HydrophobicContact CD1-CD1 3.66Å; L284-Y322 HydrophobicContact CD1-CE1 3.55Å; Q312-Y322 PolarHBondContact OE1-OH 3.13Å; I320-Y322 HydrophobicContact CG2-CD1 4.11Å; I320-Y322 HydrophobicContact CG2-CD2 4.33Å; I320-Y322 HydrophobicContact CG2-CE1 3.61Å; I320-Y322 HydrophobicContact CG2-CE2 3.86Å; I320-Y322 HydrophobicContact CG2-CG 4.45Å; I320-Y322 VanDerWaalsContact CG2-CZ 3.46Å; Y322-Y336 HydrophobicContact CD1-CD2 4.15Å; Y322-Y336 AromaticContact CD1-CE2 3.92Å; Y322-Y336 HydrophobicContact CD1-CE2 3.92Å; Y322-Y336 HydrophobicContact CE1-CD2 4.08Å; Y322-Y336 HydrophobicContact CE1-CE2 4.32Å; Y322-M337 HydrophobicContact CD1-CG 4.1Å; Y322-M337 HydrophobicContact CD2-CB 4.38Å; Y322-M337 HydrophobicContact CD2-CG 4.42Å; Y322-M337 HydrophobicContact CE1-CB 4.31Å; Y322-M337 HydrophobicContact CE1-CG 4.25Å; Y322-M337 HydrophobicContact CE2-CB 4.11Å; Y322-M337 HydrophobicContact CG-CG 4.19Å; Y322-M337 WeakPolarHBondContact OH-CA 3.46Å; Y322-R339 HydrophobicContact CE2-CB 4.08Å; Y322-R339 VanDerWaalsContact OH-CB 3.24Å; Y322-R339 WeakPolarHBondContact OH-CB 3.37Å; Y322-R339 VanDerWaalsContact OH-CG 3.3Å; Y322-R339 WeakPolarHBondContact OH-CG 3.42Å; Y322-R339 PolarHBondContact OH-N 2.83Å; Y322-L340 HydrophobicContact CD2-CD2 4.06Å; Y322-L340 HydrophobicContact CD2-CG 4.27Å; Y322-L340 HydrophobicContact CE2-CD2 4.15Å; Y322-L340 HydrophobicContact CE2-CG 4.09Å
323	A	93.1	Very high	85.7	Confident	0 Å²	0	25.6 Å²	25.6	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	110.1	175.4	0	0	0	0	0	109.6	I166 I178 L284 E286 C287	I166-A323 HydrophobicContact CB-CB 4.14Å; I166-A323 HydrophobicContact CD1-CB 4.45Å; I166-A323 WeakPolarHBondContact O-CA 3.05Å; I178-A323 HydrophobicContact CD1-CB 3.92Å; L284-A323 PolarHBondContact O-N 2.77Å; E286-A323 WeakPolarHBondContact CA-O 3.27Å; E286-A323 PolarHBondContact N-O 2.93Å; C287-A323 PolarHBondContact N-O 2.86Å
324	S	84.9	Confident	85.3	Confident	0 Å²	0	21.3 Å²	21.3	0%	0	12%	0.12	C	C	.	.			trans	-165.1	127.3	176.5	-177.5	0	0	0	0	110.4	I166 C287 H288 T326 G327	I166-S324 PolarHBondContact O-N 2.84Å; C287-S324 VanDerWaalsContact SG-CB 3.53Å; H288-S324 PolarHBondContact ND1-OG 3.35Å; S324-T326 PolarHBondContact O-N 2.81Å; S324-T326 PolarHBondContact OG-N 3.46Å; S324-T326 PolarHBondContact OG-OG1 3.05Å; S324-G327 PolarHBondContact O-N 3.45Å; S324-G327 PolarHBondContact OG-N 3.22Å
325	A	77.2	Confident	84.9	Confident	33 Å²	33	19.8 Å²	19.8	27%	0.273	11%	0.107	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66	-25	172.5	0	0	0	0	0	112.3	D168	D168-A325 WeakPolarHBondContact O-CB 3.3Å
326	T	70.2	Confident	84.6	Confident	21 Å²	21	19.8 Å²	19.8	13%	0.129	11%	0.107	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.1	6.9	-177.4	59.1	0	0	0	0	112.8	S324 A328 T329 D829	S324-T326 PolarHBondContact O-N 2.81Å; S324-T326 PolarHBondContact OG-N 3.46Å; S324-T326 PolarHBondContact OG-OG1 3.05Å; T326-A328 VanDerWaalsContact C-N 3.29Å; T326-A328 PolarHBondContact O-N 3.16Å; T326-T329 PolarHBondContact O-N 3.45Å; T326-T329 PolarHBondContact O-OG1 3.35Å; T326-D829 HydrophobicContact CG2-CB 4.39Å
327	G	65.6	Low	84.4	Confident	0 Å²	0	18.3 Å²	18.3	0%	0	10%	0.097	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-31.2	-175.4	0	0	0	0	0	113.8	S324	S324-G327 PolarHBondContact O-N 3.45Å; S324-G327 PolarHBondContact OG-N 3.22Å
328	A	69.6	Low	84.1	Confident	15 Å²	15	16.6 Å²	16.6	12%	0.124	9%	0.092	C	C	.	.	T	Hydrogen-bonded Turn	trans	-112.1	26.7	-178.2	0	0	0	0	0	112.9	L165 T326 M367 M374 Y380	L165-A328 HydrophobicContact CD2-CB 4.35Å; T326-A328 VanDerWaalsContact C-N 3.29Å; T326-A328 PolarHBondContact O-N 3.16Å; A328-M367 HydrophobicContact CB-CE 4.34Å; A328-M367 WeakPolarHBondContact O-CE 3.16Å; A328-M374 HydrophobicContact CB-CE 4.34Å; A328-Y380 HydrophobicContact CB-CE2 4.49Å
329	T	66.5	Low	83.9	Confident	58 Å²	58	16.6 Å²	16.6	36%	0.356	9%	0.092	S	C	.	.	S	Bend	trans	-79.6	-38.1	176.6	53.5	0	0	0	0	112.5	T326	T326-T329 PolarHBondContact O-N 3.45Å; T326-T329 PolarHBondContact O-OG1 3.35Å
330	E	70.1	Confident	83.6	Confident	91 Å²	91	16.7 Å²	16.7	43%	0.425	9%	0.093	S	C	.	.	S	Bend	trans	-127.6	141.9	177.1	-65.6	172.9	-145.9	0	0	110.2	R332 H333	E330-R332 VanDerWaalsContact C-N 3.27Å; E330-R332 PolarHBondContact O-N 3.32Å; E330-H333 WeakPolarHBondContact O-CB 3.28Å; E330-H333 PolarHBondContact O-N 2.85Å; E330-H333 VanDerWaalsContact O-N 3.12Å; E330-H333 IonicContact OE1-CE1 2.72Å; E330-H333 PolarHBondContact OE1-CE1 3.36Å; E330-H333 VanDerWaalsContact OE1-CE1 3.31Å; E330-H333 IonicContact OE2-CE1 2.69Å; E330-H333 PolarHBondContact OE2-CE1 2.84Å; E330-H333 IonicContact OE2-ND1 2.7Å; E330-H333 IonicContact OE2-NE2 2.77Å; E330-H333 PolarHBondContact OE2-NE2 2.68Å
331	P	74.2	Confident	83.2	Confident	14 Å²	14	16.8 Å²	16.8	9%	0.091	9%	0.094	C	C	.	.	G	3₁₀ helix	trans	-56.8	-41	-179.3	-19	26.8	0	0	0	112.5	H333 M334 F355 I356 V359 E360 M367	P331-H333 VanDerWaalsContact C-N 3.27Å; P331-H333 PolarHBondContact O-N 2.71Å; P331-M334 WeakPolarHBondContact O-CB 3.48Å; P331-M334 PolarHBondContact O-N 3.25Å; P331-M334 VanDerWaalsContact O-N 3.14Å; P331-F355 HydrophobicContact CB-CE1 4.33Å; P331-I356 HydrophobicContact CB-CD1 3.45Å; P331-I356 VanDerWaalsContact CB-CD1 3.45Å; P331-I356 WeakPolarHBondContact O-CD1 3.41Å; P331-V359 HydrophobicContact CB-CB 4.19Å; P331-V359 HydrophobicContact CB-CG1 3.94Å; P331-V359 HydrophobicContact CG-CB 4.1Å; P331-V359 HydrophobicContact CG-CG1 3.47Å; P331-V359 VanDerWaalsContact CG-CG1 3.47Å; P331-E360 HydrophobicContact CB-CG 4.4Å; P331-E360 HydrophobicContact CG-CG 4.09Å; P331-M367 HydrophobicContact CB-SD 3.87Å; P331-M367 HydrophobicContact CG-CG 3.73Å; P331-M367 HydrophobicContact CG-SD 3.51Å; P331-M367 VanDerWaalsContact CG-SD 3.51Å
332	R	80.4	Confident	82.7	Confident	63 Å²	63	17 Å²	17	24%	0.238	10%	0.095	C	C	.	.	G	3₁₀ helix	trans	-61.2	-34.4	-179.6	-71.1	-175.4	-173.3	-90.2	-11.1	112.9	E330 M334 A335 I356 E360	E330-R332 VanDerWaalsContact C-N 3.27Å; E330-R332 PolarHBondContact O-N 3.32Å; R332-M334 PolarHBondContact O-N 3.5Å; R332-M334 VanDerWaalsContact O-N 3.15Å; R332-A335 WeakPolarHBondContact O-CB 3.36Å; R332-A335 PolarHBondContact O-N 3.21Å; R332-I356 HydrophobicContact CB-CD1 4.5Å; R332-I356 HydrophobicContact CG-CD1 3.99Å; R332-I356 HydrophobicContact CG-CG2 4.48Å; R332-E360 VanDerWaalsContact CD-OE1 3.3Å; R332-E360 WeakPolarHBondContact CD-OE1 3.29Å; R332-E360 VanDerWaalsContact CG-OE1 3.26Å; R332-E360 WeakPolarHBondContact CG-OE1 3.38Å; R332-E360 IonicContact CZ-OE1 2.62Å; R332-E360 IonicContact CZ-OE2 2.77Å; R332-E360 IonicContact NE-OE1 3.47Å; R332-E360 PolarHBondContact NE-OE1 2.84Å; R332-E360 IonicContact NE-OE2 3.82Å; R332-E360 PolarHBondContact NE-OE2 2.86Å; R332-E360 IonicContact NH2-OE1 3.07Å; R332-E360 PolarHBondContact NH2-OE1 2.83Å; R332-E360 IonicContact NH2-OE2 2.66Å; R332-E360 PolarHBondContact NH2-OE2 2.78Å
333	H	77	Confident	82.3	Confident	18 Å²	18	18.2 Å²	18.2	8%	0.083	10%	0.1	C	C	.	.	G	3₁₀ helix	trans	-69.4	-9.6	-179.3	-63.4	161	0	0	0	113.4	K291 E330 P331 Y336	K291-H333 HydrophobicContact CB-CB 3.97Å; K291-H333 WeakPolarHBondContact CD-NE2 3.45Å; K291-H333 PolarHBondContact NZ-CE1 3.31Å; K291-H333 VanDerWaalsContact NZ-CE1 3.34Å; K291-H333 PolarHBondContact NZ-NE2 2.89Å; E330-H333 WeakPolarHBondContact O-CB 3.28Å; E330-H333 PolarHBondContact O-N 2.85Å; E330-H333 VanDerWaalsContact O-N 3.12Å; E330-H333 IonicContact OE1-CE1 2.72Å; E330-H333 PolarHBondContact OE1-CE1 3.36Å; E330-H333 VanDerWaalsContact OE1-CE1 3.31Å; E330-H333 IonicContact OE2-CE1 2.69Å; E330-H333 PolarHBondContact OE2-CE1 2.84Å; E330-H333 IonicContact OE2-ND1 2.7Å; E330-H333 IonicContact OE2-NE2 2.77Å; E330-H333 PolarHBondContact OE2-NE2 2.68Å; P331-H333 VanDerWaalsContact C-N 3.27Å; P331-H333 PolarHBondContact O-N 2.71Å; H333-Y336 WeakPolarHBondContact O-CE1 3.48Å
334	M	84.4	Confident	82	Confident	0 Å²	0	19 Å²	19	0%	0	11%	0.108	C	C	.	.	G	3₁₀ helix	trans	-87.3	-5.5	177.2	-57.3	-174.4	75.2	0	0	113.5	P331 R332 Y336 M337 L340 L342 W343 F355 M367 M374	P331-M334 WeakPolarHBondContact O-CB 3.48Å; P331-M334 PolarHBondContact O-N 3.25Å; P331-M334 VanDerWaalsContact O-N 3.14Å; R332-M334 PolarHBondContact O-N 3.5Å; R332-M334 VanDerWaalsContact O-N 3.15Å; M334-Y336 PolarHBondContact O-N 2.89Å; M334-M337 HydrophobicContact CB-SD 4.33Å; M334-M337 HydrophobicContact CE-SD 4.25Å; M334-M337 HydrophobicContact CG-SD 4.36Å; M334-M337 WeakPolarHBondContact O-CA 3.29Å; M334-M337 VanDerWaalsContact O-CB 3.26Å; M334-M337 WeakPolarHBondContact O-CB 3.43Å; M334-M337 PolarHBondContact O-N 2.98Å; M334-L340 HydrophobicContact CE-CD1 4.04Å; M334-L342 HydrophobicContact CE-CD1 3.45Å; M334-L342 VanDerWaalsContact CE-CD1 3.45Å; M334-L342 HydrophobicContact SD-CD1 4.42Å; M334-W343 HydrophobicContact CB-CH2 4.06Å; M334-W343 HydrophobicContact CB-CZ3 4.47Å; M334-W343 VanDerWaalsContact O-CH2 3.31Å; M334-W343 WeakPolarHBondContact O-CH2 3.25Å; M334-F355 HydrophobicContact SD-CZ 4.46Å; M334-M367 HydrophobicContact SD-CE 3.77Å; M334-M374 HydrophobicContact CE-CE 4.08Å; M334-M374 HydrophobicContact CE-SD 3.81Å
335	A	88.2	Confident	81.9	Confident	4 Å²	4	25.6 Å²	25.6	3%	0.033	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50.4	-38.1	-170.6	0	0	0	0	0	115	L293 V294 R332 M337 F352	L293-A335 HydrophobicContact CB-CB 4.26Å; L293-A335 HydrophobicContact CD2-CB 4.04Å; V294-A335 HydrophobicContact CB-CB 4.44Å; V294-A335 HydrophobicContact CG2-CB 3.92Å; R332-A335 WeakPolarHBondContact O-CB 3.36Å; R332-A335 PolarHBondContact O-N 3.21Å; A335-M337 VanDerWaalsContact C-N 3.3Å; A335-M337 PolarHBondContact O-N 3.25Å; A335-F352 VanDerWaalsContact CA-CE2 3.48Å; A335-F352 VanDerWaalsContact CA-CZ 3.46Å; A335-F352 HydrophobicContact CB-CD1 4.18Å; A335-F352 HydrophobicContact CB-CE1 3.53Å; A335-F352 HydrophobicContact CB-CE2 3.95Å; A335-F352 HydrophobicContact CB-CZ 3.37Å
336	Y	90.9	Very high	81.7	Confident	0 Å²	0	26.5 Å²	26.5	0%	0	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.3	-8.6	180	64.2	-93.1	0	0	0	114	C287 H288 A290 K291 Q312 Y322 H333 M334 T338	C287-Y336 HydrophobicContact CB-CE2 3.57Å; C287-Y336 WeakPolarHBondContact O-CE1 3.26Å; C287-Y336 PolarHBondContact O-OH 3.44Å; C287-Y336 PolarHBondContact SG-OH 2.98Å; H288-Y336 PolarHBondContact N-OH 3.03Å; A290-Y336 HydrophobicContact CB-CD1 3.72Å; A290-Y336 HydrophobicContact CB-CD2 4.21Å; A290-Y336 HydrophobicContact CB-CE1 4.08Å; A290-Y336 HydrophobicContact CB-CG 3.79Å; A290-Y336 WeakPolarHBondContact O-CD1 3.03Å; K291-Y336 HydrophobicContact CB-CE1 4.37Å; Q312-Y336 PolarHBondContact NE2-O 3.41Å; Y322-Y336 HydrophobicContact CD1-CD2 4.15Å; Y322-Y336 AromaticContact CD1-CE2 3.92Å; Y322-Y336 HydrophobicContact CD1-CE2 3.92Å; Y322-Y336 HydrophobicContact CE1-CD2 4.08Å; Y322-Y336 HydrophobicContact CE1-CE2 4.32Å; H333-Y336 WeakPolarHBondContact O-CE1 3.48Å; M334-Y336 PolarHBondContact O-N 2.89Å; Y336-T338 PolarHBondContact O-N 3.24Å; Y336-T338 VanDerWaalsContact O-N 3.15Å
337	M	92.3	Very high	82.2	Confident	0 Å²	0	29 Å²	29	0%	0	16%	0.158	C	C	.	.			trans	-86.8	41.5	-176.8	-54.9	-176.4	-178.1	0	0	112.6	L165 Y322 M334 A335 R339 L340	L165-M337 HydrophobicContact CD1-CE 3.88Å; L165-M337 HydrophobicContact CD1-SD 4.17Å; L165-M337 HydrophobicContact CD2-CE 4.3Å; L165-M337 HydrophobicContact CD2-SD 3.94Å; Y322-M337 HydrophobicContact CD1-CG 4.1Å; Y322-M337 HydrophobicContact CD2-CB 4.38Å; Y322-M337 HydrophobicContact CD2-CG 4.42Å; Y322-M337 HydrophobicContact CE1-CB 4.31Å; Y322-M337 HydrophobicContact CE1-CG 4.25Å; Y322-M337 HydrophobicContact CE2-CB 4.11Å; Y322-M337 HydrophobicContact CG-CG 4.19Å; Y322-M337 WeakPolarHBondContact OH-CA 3.46Å; M334-M337 HydrophobicContact CB-SD 4.33Å; M334-M337 HydrophobicContact CE-SD 4.25Å; M334-M337 HydrophobicContact CG-SD 4.36Å; M334-M337 WeakPolarHBondContact O-CA 3.29Å; M334-M337 VanDerWaalsContact O-CB 3.26Å; M334-M337 WeakPolarHBondContact O-CB 3.43Å; M334-M337 PolarHBondContact O-N 2.98Å; A335-M337 VanDerWaalsContact C-N 3.3Å; A335-M337 PolarHBondContact O-N 3.25Å; M337-R339 PolarHBondContact O-N 2.93Å; M337-R339 VanDerWaalsContact O-N 3.08Å; M337-L340 HydrophobicContact CB-CD1 3.73Å; M337-L340 HydrophobicContact CB-CG 4.06Å; M337-L340 HydrophobicContact CG-CD1 4.4Å; M337-L340 PolarHBondContact O-N 2.89Å; M337-L340 VanDerWaalsContact O-N 3.09Å; M337-L340 HydrophobicContact SD-CD1 3.79Å
338	T	92.1	Very high	82.6	Confident	28 Å²	28	30.6 Å²	30.6	17%	0.172	17%	0.171	C	C	.	.	G	3₁₀ helix	trans	-61.4	-23.1	-173.7	57	0	0	0	0	113.4	M309 Y336 L340 G341 W343	M309-T338 HydrophobicContact CE-CG2 3.53Å; M309-T338 HydrophobicContact SD-CG2 4.16Å; Y336-T338 PolarHBondContact O-N 3.24Å; Y336-T338 VanDerWaalsContact O-N 3.15Å; T338-L340 PolarHBondContact O-N 3.38Å; T338-G341 PolarHBondContact O-N 3.29Å; T338-W343 HydrophobicContact CG2-CZ2 4.38Å
339	R	94.2	Very high	83.4	Confident	1 Å²	1	30 Å²	30	0%	0.004	17%	0.166	C	C	.	.	G	3₁₀ helix	trans	-75.4	-7.7	179.6	-56.7	-96.9	172.7	-87.7	11.4	113.4	E160 R161 S162 G163 Q312 I320 Y322 M337 G341	E160-R339 VanDerWaalsContact CB-NH1 3.34Å; E160-R339 VanDerWaalsContact CD-CZ 3.42Å; E160-R339 IonicContact OE1-CZ 2.79Å; E160-R339 VanDerWaalsContact OE1-CZ 3.27Å; E160-R339 IonicContact OE1-NH1 3.32Å; E160-R339 PolarHBondContact OE1-NH1 2.81Å; E160-R339 IonicContact OE1-NH2 3.06Å; E160-R339 PolarHBondContact OE1-NH2 3.31Å; E160-R339 IonicContact OE2-CZ 3.9Å; E160-R339 IonicContact OE2-NH1 2.73Å; E160-R339 PolarHBondContact OE2-NH1 3.39Å; E160-R339 IonicContact OE2-NH2 2.82Å; R161-R339 WeakPolarHBondContact O-CD 3.24Å; S162-R339 CarbonylContact C-O 3.48Å; S162-R339 WeakPolarHBondContact CA-O 3.47Å; G163-R339 PolarHBondContact N-O 2.69Å; Q312-R339 PolarHBondContact O-NH2 3.16Å; I320-R339 HydrophobicContact CB-CB 4.38Å; I320-R339 HydrophobicContact CB-CG 4.15Å; I320-R339 HydrophobicContact CG1-CG 3.81Å; Y322-R339 HydrophobicContact CE2-CB 4.08Å; Y322-R339 VanDerWaalsContact OH-CB 3.24Å; Y322-R339 WeakPolarHBondContact OH-CB 3.37Å; Y322-R339 VanDerWaalsContact OH-CG 3.3Å; Y322-R339 WeakPolarHBondContact OH-CG 3.42Å; Y322-R339 PolarHBondContact OH-N 2.83Å; M337-R339 PolarHBondContact O-N 2.93Å; M337-R339 VanDerWaalsContact O-N 3.08Å; R339-G341 PolarHBondContact O-N 3.25Å
340	L	92.4	Very high	84.2	Confident	3 Å²	3	31.4 Å²	31.4	2%	0.016	18%	0.176	C	C	.	.	G	3₁₀ helix	trans	-74	-16.3	173.6	-62.4	-179.8	0	0	0	112.8	L165 Y322 M334 M337 T338 L342 M374 L379	L165-L340 HydrophobicContact CB-CD1 4.24Å; L165-L340 HydrophobicContact CB-CD2 4Å; L165-L340 HydrophobicContact CD2-CD1 4.26Å; Y322-L340 HydrophobicContact CD2-CD2 4.06Å; Y322-L340 HydrophobicContact CD2-CG 4.27Å; Y322-L340 HydrophobicContact CE2-CD2 4.15Å; Y322-L340 HydrophobicContact CE2-CG 4.09Å; M334-L340 HydrophobicContact CE-CD1 4.04Å; M337-L340 HydrophobicContact CB-CD1 3.73Å; M337-L340 HydrophobicContact CB-CG 4.06Å; M337-L340 HydrophobicContact CG-CD1 4.4Å; M337-L340 PolarHBondContact O-N 2.89Å; M337-L340 VanDerWaalsContact O-N 3.09Å; M337-L340 HydrophobicContact SD-CD1 3.79Å; T338-L340 PolarHBondContact O-N 3.38Å; L340-L342 VanDerWaalsContact C-N 3.28Å; L340-L342 HydrophobicContact CB-CD1 4.49Å; L340-L342 HydrophobicContact CB-CG 4.17Å; L340-L342 PolarHBondContact O-N 2.9Å; L340-M374 HydrophobicContact CD1-SD 4.23Å; L340-L379 WeakPolarHBondContact O-CD1 3.48Å
341	G	89.1	Confident	85.1	Confident	3 Å²	3	31.2 Å²	31.2	3%	0.031	18%	0.178	C	C	.	.			trans	66.1	27.9	177.1	0	0	0	0	0	114.3	T338 R339 W343 R347	T338-G341 PolarHBondContact O-N 3.29Å; R339-G341 PolarHBondContact O-N 3.25Å; G341-W343 VanDerWaalsContact C-N 3.34Å; G341-R347 WeakPolarHBondContact O-CD 3.5Å; G341-R347 PolarHBondContact O-NE 3.43Å
342	L	86.5	Confident	85.7	Confident	5 Å²	5	32 Å²	32	3%	0.026	18%	0.18	C	C	.	.	S	Bend	trans	-71.8	-31.5	174.1	-67	177.8	0	0	0	112.1	M334 L340 I370 M374	M334-L342 HydrophobicContact CE-CD1 3.45Å; M334-L342 VanDerWaalsContact CE-CD1 3.45Å; M334-L342 HydrophobicContact SD-CD1 4.42Å; L340-L342 VanDerWaalsContact C-N 3.28Å; L340-L342 HydrophobicContact CB-CD1 4.49Å; L340-L342 HydrophobicContact CB-CG 4.17Å; L340-L342 PolarHBondContact O-N 2.9Å; L342-I370 HydrophobicContact CD1-CG2 4.25Å; L342-M374 HydrophobicContact CD1-CG 4.48Å; L342-M374 HydrophobicContact CD1-SD 3.93Å; L342-M374 HydrophobicContact CD2-CG 3.87Å; L342-M374 HydrophobicContact CD2-SD 4.38Å
343	W	89.6	Confident	86	Confident	26 Å²	26	31 Å²	31	10%	0.098	19%	0.189	C	C	.	.	B	Isolated β-bridge	trans	-132.7	171.6	173.9	55.7	85.9	0	0	0	110.1	M334 T338 G341 F349 F352 F355	M334-W343 HydrophobicContact CB-CH2 4.06Å; M334-W343 HydrophobicContact CB-CZ3 4.47Å; M334-W343 VanDerWaalsContact O-CH2 3.31Å; M334-W343 WeakPolarHBondContact O-CH2 3.25Å; T338-W343 HydrophobicContact CG2-CZ2 4.38Å; G341-W343 VanDerWaalsContact C-N 3.34Å; W343-F349 CarbonylContact C-O 3.46Å; W343-F349 WeakPolarHBondContact CA-O 3.48Å; W343-F349 HydrophobicContact CB-CB 3.85Å; W343-F349 WeakPolarHBondContact CB-O 3.5Å; W343-F352 AromaticContact CD2-CD2 3.99Å; W343-F352 HydrophobicContact CD2-CD2 3.99Å; W343-F352 AromaticContact CE2-CD2 3.73Å; W343-F352 HydrophobicContact CE3-CD2 4.05Å; W343-F352 AromaticContact CH2-CD2 3.72Å; W343-F352 HydrophobicContact CH2-CD2 3.72Å; W343-F352 AromaticContact CH2-CE2 3.83Å; W343-F352 HydrophobicContact CH2-CE2 3.83Å; W343-F352 AromaticContact CZ2-CD2 3.61Å; W343-F352 HydrophobicContact CZ2-CD2 3.61Å; W343-F352 HydrophobicContact CZ2-CE2 4.1Å; W343-F352 AromaticContact CZ3-CD2 3.93Å; W343-F352 HydrophobicContact CZ3-CD2 3.93Å; W343-F352 HydrophobicContact CZ3-CE2 4.11Å; W343-F355 HydrophobicContact CB-CB 4.49Å; W343-F355 HydrophobicContact CE3-CB 4.21Å; W343-F355 AromaticContact CE3-CD1 3.78Å; W343-F355 HydrophobicContact CE3-CD1 3.78Å; W343-F355 HydrophobicContact CE3-CD2 4.09Å; W343-F355 HydrophobicContact CE3-CE1 4.13Å; W343-F355 HydrophobicContact CE3-CE2 4.4Å; W343-F355 AromaticContact CE3-CG 3.76Å; W343-F355 HydrophobicContact CE3-CG 3.76Å; W343-F355 HydrophobicContact CE3-CZ 4.42Å; W343-F355 AromaticContact CZ3-CD1 3.8Å; W343-F355 HydrophobicContact CZ3-CD1 3.8Å; W343-F355 AromaticContact CZ3-CE1 3.73Å; W343-F355 HydrophobicContact CZ3-CE1 3.73Å; W343-F355 HydrophobicContact CZ3-CE2 4.49Å; W343-F355 HydrophobicContact CZ3-CG 4.22Å; W343-F355 HydrophobicContact CZ3-CZ 4.09Å
344	G	87.1	Confident	86.3	Confident	16 Å²	16	31.7 Å²	31.7	17%	0.165	20%	0.197	C	C	.	.	S	Bend	trans	114.4	-170.4	-179.8	0	0	0	0	0	112.9	G346 R347 F349 P350	G344-G346 PolarHBondContact O-N 3Å; G344-R347 WeakPolarHBondContact O-CB 3.49Å; G344-R347 PolarHBondContact O-N 3.18Å; G344-R347 VanDerWaalsContact O-N 3.08Å; G344-F349 PolarHBondContact N-O 2.74Å; G344-P350 VanDerWaalsContact CA-O 3.25Å; G344-P350 WeakPolarHBondContact CA-O 3.38Å; G344-P350 PolarHBondContact N-O 3.2Å
345	E	81.9	Confident	86.3	Confident	139 Å²	139	31.7 Å²	31.7	65%	0.65	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.4	130.5	-176.8	-167.9	178	175.8	0	0	112.2	P157 R347	P157-E345 WeakPolarHBondContact CB-O 3.41Å; P157-E345 WeakPolarHBondContact CG-O 3.25Å; E345-R347 PolarHBondContact O-N 3.09Å
346	G	73.5	Confident	86.1	Confident	52 Å²	52	32 Å²	32	54%	0.536	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	70.1	12.2	-179.1	0	0	0	0	0	115.1	G344 M1024	G344-G346 PolarHBondContact O-N 3Å; G346-M1024 WeakPolarHBondContact O-CE 3.38Å
347	R	80.6	Confident	85.6	Confident	74 Å²	74	34.9 Å²	34.9	28%	0.279	22%	0.217	S	C	.	.	S	Bend	trans	-104.9	167	175.9	-57	-56.5	-170.9	179.4	3.4	111.5	G341 G344 E345 F349	G341-R347 WeakPolarHBondContact O-CD 3.5Å; G341-R347 PolarHBondContact O-NE 3.43Å; G344-R347 WeakPolarHBondContact O-CB 3.49Å; G344-R347 PolarHBondContact O-N 3.18Å; G344-R347 VanDerWaalsContact O-N 3.08Å; E345-R347 PolarHBondContact O-N 3.09Å; R347-F349 PolarHBondContact O-N 3.29Å
348	A	74.8	Confident	84.7	Confident	33 Å²	33	35 Å²	35	27%	0.273	22%	0.218	S	C	.	.	S	Bend	trans	-60.1	-32.1	178.2	0	0	0	0	0	112.3	V1188 N1192	A348-V1188 WeakPolarHBondContact CB-O 3.36Å; A348-N1192 PolarHBondContact O-ND2 3.19Å
349	F	85.4	Confident	83.9	Confident	1 Å²	1	33.6 Å²	33.6	0%	0.004	21%	0.21	C	C	.	.	B	Isolated β-bridge	trans	-109.7	112.9	175.9	-53.5	-70.7	0	0	0	109.1	W343 G344 R347 D351 F355 A358 V1188 W1191 N1192	W343-F349 CarbonylContact C-O 3.46Å; W343-F349 WeakPolarHBondContact CA-O 3.48Å; W343-F349 HydrophobicContact CB-CB 3.85Å; W343-F349 WeakPolarHBondContact CB-O 3.5Å; G344-F349 PolarHBondContact N-O 2.74Å; R347-F349 PolarHBondContact O-N 3.29Å; F349-D351 VanDerWaalsContact C-N 3.25Å; F349-D351 PolarHBondContact O-N 2.87Å; F349-F355 HydrophobicContact CB-CB 3.96Å; F349-F355 HydrophobicContact CD1-CB 4.33Å; F349-F355 HydrophobicContact CD2-CB 4.32Å; F349-F355 AromaticContact CD2-CD2 3.67Å; F349-F355 HydrophobicContact CD2-CD2 3.67Å; F349-F355 HydrophobicContact CD2-CG 4.49Å; F349-F355 AromaticContact CE2-CD2 3.78Å; F349-F355 HydrophobicContact CE2-CD2 3.78Å; F349-F355 HydrophobicContact CE2-CE2 4.39Å; F349-F355 HydrophobicContact CG-CB 3.94Å; F349-F355 HydrophobicContact CG-CD2 4.14Å; F349-F355 HydrophobicContact CZ-CD2 4.35Å; F349-A358 HydrophobicContact CD1-CB 4.33Å; F349-A358 HydrophobicContact CE1-CB 3.54Å; F349-A358 HydrophobicContact CZ-CB 4.23Å; F349-V1188 HydrophobicContact CE2-CG1 3.83Å; F349-W1191 HydrophobicContact CE1-CB 4.34Å; F349-W1191 AromaticContact CE1-CD1 3.82Å; F349-W1191 HydrophobicContact CE1-CG 4.31Å; F349-W1191 HydrophobicContact CE2-CB 4.47Å; F349-W1191 HydrophobicContact CZ-CB 3.67Å; F349-W1191 AromaticContact CZ-CD1 3.57Å; F349-W1191 AromaticContact CZ-CG 3.68Å; F349-W1191 HydrophobicContact CZ-CG 3.68Å; F349-N1192 WeakPolarHBondContact CE1-OD1 3.12Å
350	P	83.7	Confident	82.8	Confident	89 Å²	89	37.1 Å²	37.1	58%	0.578	23%	0.227	S	C	*	.	S	Bend	trans	-60.6	-35.7	-179.9	-25.4	34.2	0	0	0	113.1	G344 S354	G344-P350 VanDerWaalsContact CA-O 3.25Å; G344-P350 WeakPolarHBondContact CA-O 3.38Å; G344-P350 PolarHBondContact N-O 3.2Å; P350-S354 WeakPolarHBondContact CD-OG 3.41Å
351	D	87.9	Confident	81.5	Confident	86 Å²	86	45.8 Å²	45.8	46%	0.46	26%	0.259	S	S	.	.	S	Bend	trans	-142.8	173.6	-178.6	63.4	45.9	0	0	0	112	F349 G353 S354 F355	F349-D351 VanDerWaalsContact C-N 3.25Å; F349-D351 PolarHBondContact O-N 2.87Å; D351-G353 VanDerWaalsContact C-N 3.33Å; D351-G353 PolarHBondContact O-N 3Å; D351-G353 WeakPolarHBondContact OD1-CA 3.41Å; D351-G353 PolarHBondContact OD1-N 2.93Å; D351-S354 PolarHBondContact N-OG 2.98Å; D351-S354 PolarHBondContact O-OG 3.35Å; D351-S354 WeakPolarHBondContact OD1-CB 3.48Å; D351-S354 PolarHBondContact OD1-N 3.19Å; D351-S354 PolarHBondContact OD1-OG 2.96Å; D351-F355 PolarHBondContact O-N 3.1Å
352	F	87.1	Confident	80.4	Confident	30 Å²	30	49.4 Å²	49.4	13%	0.132	27%	0.272	C	S	.	.	H	α-helix	trans	-67.5	-30.4	179	-175.9	-109.8	0	0	0	113.6	V294 A335 W343 F355 I356	V294-F352 HydrophobicContact CB-CE1 4.02Å; V294-F352 HydrophobicContact CG1-CE1 4.31Å; V294-F352 HydrophobicContact CG2-CD1 3.99Å; V294-F352 HydrophobicContact CG2-CE1 3.76Å; A335-F352 VanDerWaalsContact CA-CE2 3.48Å; A335-F352 VanDerWaalsContact CA-CZ 3.46Å; A335-F352 HydrophobicContact CB-CD1 4.18Å; A335-F352 HydrophobicContact CB-CE1 3.53Å; A335-F352 HydrophobicContact CB-CE2 3.95Å; A335-F352 HydrophobicContact CB-CZ 3.37Å; W343-F352 AromaticContact CD2-CD2 3.99Å; W343-F352 HydrophobicContact CD2-CD2 3.99Å; W343-F352 AromaticContact CE2-CD2 3.73Å; W343-F352 HydrophobicContact CE3-CD2 4.05Å; W343-F352 AromaticContact CH2-CD2 3.72Å; W343-F352 HydrophobicContact CH2-CD2 3.72Å; W343-F352 AromaticContact CH2-CE2 3.83Å; W343-F352 HydrophobicContact CH2-CE2 3.83Å; W343-F352 AromaticContact CZ2-CD2 3.61Å; W343-F352 HydrophobicContact CZ2-CD2 3.61Å; W343-F352 HydrophobicContact CZ2-CE2 4.1Å; W343-F352 AromaticContact CZ3-CD2 3.93Å; W343-F352 HydrophobicContact CZ3-CD2 3.93Å; W343-F352 HydrophobicContact CZ3-CE2 4.11Å; F352-F355 AromaticContact CD2-CD1 3.95Å; F352-F355 HydrophobicContact CD2-CD1 3.95Å; F352-F355 AromaticContact CE2-CD1 3.88Å; F352-F355 HydrophobicContact CE2-CD1 3.88Å; F352-F355 HydrophobicContact CE2-CE1 4.24Å; F352-F355 WeakPolarHBondContact O-CB 3.17Å; F352-F355 PolarHBondContact O-N 3.08Å; F352-I356 HydrophobicContact CD1-CG1 3.87Å; F352-I356 HydrophobicContact CD2-CG1 4.24Å; F352-I356 HydrophobicContact CE1-CD1 3.94Å; F352-I356 HydrophobicContact CE1-CG1 3.41Å; F352-I356 VanDerWaalsContact CE1-CG1 3.41Å; F352-I356 HydrophobicContact CE2-CD1 3.81Å; F352-I356 HydrophobicContact CE2-CG1 3.81Å; F352-I356 HydrophobicContact CG-CG1 4.28Å; F352-I356 HydrophobicContact CZ-CD1 3.42Å; F352-I356 VanDerWaalsContact CZ-CD1 3.42Å; F352-I356 HydrophobicContact CZ-CG1 3.4Å; F352-I356 WeakPolarHBondContact O-CG1 3.42Å; F352-I356 PolarHBondContact O-N 3.14Å
353	G	86.4	Confident	79.1	Confident	42 Å²	42	50.6 Å²	50.6	43%	0.433	29%	0.286	S	S	.	.	H	α-helix	trans	-66.5	-42.3	179.7	0	0	0	0	0	112	D351 I356 S357	D351-G353 VanDerWaalsContact C-N 3.33Å; D351-G353 PolarHBondContact O-N 3Å; D351-G353 WeakPolarHBondContact OD1-CA 3.41Å; D351-G353 PolarHBondContact OD1-N 2.93Å; G353-I356 PolarHBondContact O-N 3.04Å; G353-S357 VanDerWaalsContact O-CB 3.32Å; G353-S357 WeakPolarHBondContact O-CB 3.38Å; G353-S357 PolarHBondContact O-N 3.29Å; G353-S357 PolarHBondContact O-OG 2.94Å
354	S	83.6	Confident	77.7	Confident	34 Å²	34	53.9 Å²	53.9	24%	0.238	31%	0.308	C	S	.	.	H	α-helix	trans	-63.5	-40.8	173.7	69.6	0	0	0	0	111.8	P350 D351 A358	P350-S354 WeakPolarHBondContact CD-OG 3.41Å; D351-S354 PolarHBondContact N-OG 2.98Å; D351-S354 PolarHBondContact O-OG 3.35Å; D351-S354 WeakPolarHBondContact OD1-CB 3.48Å; D351-S354 PolarHBondContact OD1-N 3.19Å; D351-S354 PolarHBondContact OD1-OG 2.96Å; S354-A358 WeakPolarHBondContact O-CB 3.29Å; S354-A358 PolarHBondContact O-N 2.83Å; S354-A358 VanDerWaalsContact O-N 3.09Å
355	F	85.3	Confident	76.7	Confident	0 Å²	0	53.7 Å²	53.7	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-60.5	-54.8	173.4	172.1	-101.7	0	0	0	111.4	P331 M334 W343 F349 D351 F352 S357 A358 V359 I370	P331-F355 HydrophobicContact CB-CE1 4.33Å; M334-F355 HydrophobicContact SD-CZ 4.46Å; W343-F355 HydrophobicContact CB-CB 4.49Å; W343-F355 HydrophobicContact CE3-CB 4.21Å; W343-F355 AromaticContact CE3-CD1 3.78Å; W343-F355 HydrophobicContact CE3-CD1 3.78Å; W343-F355 HydrophobicContact CE3-CD2 4.09Å; W343-F355 HydrophobicContact CE3-CE1 4.13Å; W343-F355 HydrophobicContact CE3-CE2 4.4Å; W343-F355 AromaticContact CE3-CG 3.76Å; W343-F355 HydrophobicContact CE3-CG 3.76Å; W343-F355 HydrophobicContact CE3-CZ 4.42Å; W343-F355 AromaticContact CZ3-CD1 3.8Å; W343-F355 HydrophobicContact CZ3-CD1 3.8Å; W343-F355 AromaticContact CZ3-CE1 3.73Å; W343-F355 HydrophobicContact CZ3-CE1 3.73Å; W343-F355 HydrophobicContact CZ3-CE2 4.49Å; W343-F355 HydrophobicContact CZ3-CG 4.22Å; W343-F355 HydrophobicContact CZ3-CZ 4.09Å; F349-F355 HydrophobicContact CB-CB 3.96Å; F349-F355 HydrophobicContact CD1-CB 4.33Å; F349-F355 HydrophobicContact CD2-CB 4.32Å; F349-F355 AromaticContact CD2-CD2 3.67Å; F349-F355 HydrophobicContact CD2-CD2 3.67Å; F349-F355 HydrophobicContact CD2-CG 4.49Å; F349-F355 AromaticContact CE2-CD2 3.78Å; F349-F355 HydrophobicContact CE2-CD2 3.78Å; F349-F355 HydrophobicContact CE2-CE2 4.39Å; F349-F355 HydrophobicContact CG-CB 3.94Å; F349-F355 HydrophobicContact CG-CD2 4.14Å; F349-F355 HydrophobicContact CZ-CD2 4.35Å; D351-F355 PolarHBondContact O-N 3.1Å; F352-F355 AromaticContact CD2-CD1 3.95Å; F352-F355 HydrophobicContact CD2-CD1 3.95Å; F352-F355 AromaticContact CE2-CD1 3.88Å; F352-F355 HydrophobicContact CE2-CD1 3.88Å; F352-F355 HydrophobicContact CE2-CE1 4.24Å; F352-F355 WeakPolarHBondContact O-CB 3.17Å; F352-F355 PolarHBondContact O-N 3.08Å; F355-S357 VanDerWaalsContact C-N 3.34Å; F355-S357 PolarHBondContact O-N 3.37Å; F355-A358 WeakPolarHBondContact O-CB 3.23Å; F355-A358 PolarHBondContact O-N 2.86Å; F355-V359 HydrophobicContact CD2-CG2 4.04Å; F355-V359 HydrophobicContact CE1-CG2 4.45Å; F355-V359 HydrophobicContact CE2-CG2 3.78Å; F355-V359 HydrophobicContact CZ-CG2 4.01Å; F355-V359 VanDerWaalsContact O-CG2 3.3Å; F355-V359 WeakPolarHBondContact O-CG2 3.06Å; F355-V359 PolarHBondContact O-N 3.09Å; F355-I370 HydrophobicContact CE2-CD1 3.69Å; F355-I370 HydrophobicContact CZ-CD1 3.83Å
356	I	83.8	Confident	76.2	Confident	9 Å²	9	47.2 Å²	47.2	5%	0.046	28%	0.276	C	S	.	.	H	α-helix	trans	-58.9	-46.1	-179.3	-71.5	-59.5	0	0	0	111.7	P331 R332 F352 G353 A358 V359 E360	P331-I356 HydrophobicContact CB-CD1 3.45Å; P331-I356 VanDerWaalsContact CB-CD1 3.45Å; P331-I356 WeakPolarHBondContact O-CD1 3.41Å; R332-I356 HydrophobicContact CB-CD1 4.5Å; R332-I356 HydrophobicContact CG-CD1 3.99Å; R332-I356 HydrophobicContact CG-CG2 4.48Å; F352-I356 HydrophobicContact CD1-CG1 3.87Å; F352-I356 HydrophobicContact CD2-CG1 4.24Å; F352-I356 HydrophobicContact CE1-CD1 3.94Å; F352-I356 HydrophobicContact CE1-CG1 3.41Å; F352-I356 VanDerWaalsContact CE1-CG1 3.41Å; F352-I356 HydrophobicContact CE2-CD1 3.81Å; F352-I356 HydrophobicContact CE2-CG1 3.81Å; F352-I356 HydrophobicContact CG-CG1 4.28Å; F352-I356 HydrophobicContact CZ-CD1 3.42Å; F352-I356 VanDerWaalsContact CZ-CD1 3.42Å; F352-I356 HydrophobicContact CZ-CG1 3.4Å; F352-I356 WeakPolarHBondContact O-CG1 3.42Å; F352-I356 PolarHBondContact O-N 3.14Å; G353-I356 PolarHBondContact O-N 3.04Å; I356-A358 PolarHBondContact O-N 3.05Å; I356-V359 PolarHBondContact O-N 2.87Å; I356-E360 HydrophobicContact CG2-CG 3.9Å; I356-E360 WeakPolarHBondContact CG2-OE2 3.34Å; I356-E360 WeakPolarHBondContact O-CB 3.2Å; I356-E360 PolarHBondContact O-N 2.97Å
357	S	80.3	Confident	76.2	Confident	61 Å²	61	45.3 Å²	45.3	43%	0.427	25%	0.254	S	S	.	.	H	α-helix	trans	-58.5	-36.6	178	-61.2	0	0	0	0	111.5	G353 F355 R361	G353-S357 VanDerWaalsContact O-CB 3.32Å; G353-S357 WeakPolarHBondContact O-CB 3.38Å; G353-S357 PolarHBondContact O-N 3.29Å; G353-S357 PolarHBondContact O-OG 2.94Å; F355-S357 VanDerWaalsContact C-N 3.34Å; F355-S357 PolarHBondContact O-N 3.37Å; S357-R361 WeakPolarHBondContact O-CG 3.24Å; S357-R361 PolarHBondContact O-NE 3.14Å; S357-R361 PolarHBondContact O-NH2 2.78Å
358	A	74.2	Confident	75.8	Confident	2 Å²	2	43.6 Å²	43.6	2%	0.017	25%	0.249	C	C	.	.	H	α-helix	trans	-74.6	-35.5	179.1	0	0	0	0	0	113.3	F349 S354 F355 I356 I1195	F349-A358 HydrophobicContact CD1-CB 4.33Å; F349-A358 HydrophobicContact CE1-CB 3.54Å; F349-A358 HydrophobicContact CZ-CB 4.23Å; S354-A358 WeakPolarHBondContact O-CB 3.29Å; S354-A358 PolarHBondContact O-N 2.83Å; S354-A358 VanDerWaalsContact O-N 3.09Å; F355-A358 WeakPolarHBondContact O-CB 3.23Å; F355-A358 PolarHBondContact O-N 2.86Å; I356-A358 PolarHBondContact O-N 3.05Å; A358-I1195 HydrophobicContact CB-CD1 4.34Å
359	V	74.7	Confident	75.9	Confident	0 Å²	0	42.2 Å²	42.2	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-88.8	-45.9	-173.1	-175.9	0	0	0	0	112.4	P331 F355 I356 R361 R362 G363 A366 M367 I370	P331-V359 HydrophobicContact CB-CB 4.19Å; P331-V359 HydrophobicContact CB-CG1 3.94Å; P331-V359 HydrophobicContact CG-CB 4.1Å; P331-V359 HydrophobicContact CG-CG1 3.47Å; P331-V359 VanDerWaalsContact CG-CG1 3.47Å; F355-V359 HydrophobicContact CD2-CG2 4.04Å; F355-V359 HydrophobicContact CE1-CG2 4.45Å; F355-V359 HydrophobicContact CE2-CG2 3.78Å; F355-V359 HydrophobicContact CZ-CG2 4.01Å; F355-V359 VanDerWaalsContact O-CG2 3.3Å; F355-V359 WeakPolarHBondContact O-CG2 3.06Å; F355-V359 PolarHBondContact O-N 3.09Å; I356-V359 PolarHBondContact O-N 2.87Å; V359-R361 VanDerWaalsContact C-N 3.33Å; V359-R361 PolarHBondContact O-N 3.41Å; V359-R362 PolarHBondContact O-N 2.79Å; V359-G363 PolarHBondContact O-N 2.87Å; V359-A366 HydrophobicContact CG1-CB 3.84Å; V359-M367 HydrophobicContact CG1-CG 4.01Å; V359-M367 HydrophobicContact CG1-SD 3.77Å; V359-I370 HydrophobicContact CB-CD1 4.25Å; V359-I370 HydrophobicContact CG1-CD1 3.74Å; V359-I370 HydrophobicContact CG2-CD1 3.36Å
360	E	71.4	Confident	75.7	Confident	75 Å²	75	42.2 Å²	42.2	35%	0.35	24%	0.237	S	C	.	.	H	α-helix	trans	-65.1	-35.2	-175.8	-73.1	-167.7	146.8	0	0	113.5	P331 R332 I356 R362 G363	P331-E360 HydrophobicContact CB-CG 4.4Å; P331-E360 HydrophobicContact CG-CG 4.09Å; R332-E360 VanDerWaalsContact CD-OE1 3.3Å; R332-E360 WeakPolarHBondContact CD-OE1 3.29Å; R332-E360 VanDerWaalsContact CG-OE1 3.26Å; R332-E360 WeakPolarHBondContact CG-OE1 3.38Å; R332-E360 IonicContact CZ-OE1 2.62Å; R332-E360 IonicContact CZ-OE2 2.77Å; R332-E360 IonicContact NE-OE1 3.47Å; R332-E360 PolarHBondContact NE-OE1 2.84Å; R332-E360 IonicContact NE-OE2 3.82Å; R332-E360 PolarHBondContact NE-OE2 2.86Å; R332-E360 IonicContact NH2-OE1 3.07Å; R332-E360 PolarHBondContact NH2-OE1 2.83Å; R332-E360 IonicContact NH2-OE2 2.66Å; R332-E360 PolarHBondContact NH2-OE2 2.78Å; I356-E360 HydrophobicContact CG2-CG 3.9Å; I356-E360 WeakPolarHBondContact CG2-OE2 3.34Å; I356-E360 WeakPolarHBondContact O-CB 3.2Å; I356-E360 PolarHBondContact O-N 2.97Å; E360-R362 PolarHBondContact O-N 2.76Å; E360-G363 PolarHBondContact O-N 2.62Å
361	R	65.3	Low	75.6	Confident	185 Å²	185	38.7 Å²	38.7	70%	0.698	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.4	-17.2	174.9	-75.7	-171.7	-71.2	-160	-5.5	113.1	S357 V359	S357-R361 WeakPolarHBondContact O-CG 3.24Å; S357-R361 PolarHBondContact O-NE 3.14Å; S357-R361 PolarHBondContact O-NH2 2.78Å; V359-R361 VanDerWaalsContact C-N 3.33Å; V359-R361 PolarHBondContact O-N 3.41Å
362	R	65	Low	75.3	Confident	78 Å²	78	34.9 Å²	34.9	29%	0.294	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-116.1	-0.3	-175.5	-59.7	-63.6	-173.1	-171.3	1.6	113.3	V359 E360 A366	V359-R362 PolarHBondContact O-N 2.79Å; E360-R362 PolarHBondContact O-N 2.76Å; R362-A366 HydrophobicContact CB-CB 3.77Å
363	G	60.3	Low	75.2	Confident	31 Å²	31	33.5 Å²	33.5	32%	0.32	19%	0.189	S	C	.	.	H	α-helix	trans	68.4	-154.9	171.1	0	0	0	0	0	115.3	V359 E360 G365 A366	V359-G363 PolarHBondContact O-N 2.87Å; E360-G363 PolarHBondContact O-N 2.62Å; G363-G365 VanDerWaalsContact C-N 3.32Å; G363-G365 PolarHBondContact O-N 3.36Å; G363-A366 PolarHBondContact O-N 3.13Å
364	V	60.3	Low	75.2	Confident	94 Å²	94	31.5 Å²	31.5	57%	0.57	17%	0.168	S	C	*	.	H	α-helix	trans	-63.1	-31.5	-172.7	-67.7	0	0	0	0	113.9	A366 M367 E368	V364-A366 VanDerWaalsContact C-N 3.33Å; V364-A366 PolarHBondContact O-N 3.48Å; V364-M367 WeakPolarHBondContact O-CB 3.27Å; V364-M367 PolarHBondContact O-N 3.11Å; V364-E368 PolarHBondContact O-N 2.74Å; V364-E368 VanDerWaalsContact O-N 3.16Å
365	G	65.3	Low	75.4	Confident	12 Å²	12	30.1 Å²	30.1	12%	0.124	16%	0.158	C	C	.	.	H	α-helix	trans	-63.1	-37.7	177.7	0	0	0	0	0	112.6	G363 M367 E368 I369 V1229	G363-G365 VanDerWaalsContact C-N 3.32Å; G363-G365 PolarHBondContact O-N 3.36Å; G365-M367 VanDerWaalsContact C-N 3.3Å; G365-M367 PolarHBondContact O-N 2.65Å; G365-E368 WeakPolarHBondContact O-CB 3.49Å; G365-E368 PolarHBondContact O-N 2.69Å; G365-I369 PolarHBondContact O-N 2.92Å; G365-V1229 VanDerWaalsContact O-CG2 3.25Å; G365-V1229 WeakPolarHBondContact O-CG2 3.26Å
366	A	70.5	Confident	75.4	Confident	3 Å²	3	32.3 Å²	32.3	3%	0.025	17%	0.169	C	C	.	.	H	α-helix	trans	-64.7	-36.6	176.3	0	0	0	0	0	112.4	V359 R362 G363 V364 E368 I369 I370 W1191	V359-A366 HydrophobicContact CG1-CB 3.84Å; R362-A366 HydrophobicContact CB-CB 3.77Å; G363-A366 PolarHBondContact O-N 3.13Å; V364-A366 VanDerWaalsContact C-N 3.33Å; V364-A366 PolarHBondContact O-N 3.48Å; A366-E368 VanDerWaalsContact C-N 3.3Å; A366-E368 PolarHBondContact O-N 2.93Å; A366-I369 PolarHBondContact O-N 3.47Å; A366-I370 WeakPolarHBondContact O-CG1 3.16Å; A366-I370 PolarHBondContact O-N 2.95Å; A366-W1191 HydrophobicContact CB-CH2 3.68Å; A366-W1191 HydrophobicContact CB-CZ2 3.64Å
367	M	73.3	Confident	75.5	Confident	13 Å²	13	34.1 Å²	34.1	6%	0.064	18%	0.175	C	C	.	.	H	α-helix	trans	-64.8	-35.1	174.7	-78.5	-58.4	-64.2	0	0	112.6	A328 P331 M334 V359 V364 G365 I370 A371	A328-M367 HydrophobicContact CB-CE 4.34Å; A328-M367 WeakPolarHBondContact O-CE 3.16Å; P331-M367 HydrophobicContact CB-SD 3.87Å; P331-M367 HydrophobicContact CG-CG 3.73Å; P331-M367 HydrophobicContact CG-SD 3.51Å; P331-M367 VanDerWaalsContact CG-SD 3.51Å; M334-M367 HydrophobicContact SD-CE 3.77Å; V359-M367 HydrophobicContact CG1-CG 4.01Å; V359-M367 HydrophobicContact CG1-SD 3.77Å; V364-M367 WeakPolarHBondContact O-CB 3.27Å; V364-M367 PolarHBondContact O-N 3.11Å; G365-M367 VanDerWaalsContact C-N 3.3Å; G365-M367 PolarHBondContact O-N 2.65Å; M367-I370 PolarHBondContact O-N 3.23Å; M367-I370 HydrophobicContact SD-CD1 4.2Å; M367-A371 WeakPolarHBondContact O-CB 3.45Å; M367-A371 PolarHBondContact O-N 2.96Å
368	E	72.8	Confident	76	Confident	37 Å²	37	31.3 Å²	31.3	17%	0.173	16%	0.156	C	C	.	.	H	α-helix	trans	-65.9	-41.7	176.5	-167.3	165.7	-139.8	0	0	112.1	S112 V364 G365 A366 I370 A371 M372 I1002	S112-E368 VanDerWaalsContact CB-CD 3.5Å; S112-E368 WeakPolarHBondContact CB-OE1 3.39Å; S112-E368 PolarHBondContact OG-OE1 2.88Å; V364-E368 PolarHBondContact O-N 2.74Å; V364-E368 VanDerWaalsContact O-N 3.16Å; G365-E368 WeakPolarHBondContact O-CB 3.49Å; G365-E368 PolarHBondContact O-N 2.69Å; A366-E368 VanDerWaalsContact C-N 3.3Å; A366-E368 PolarHBondContact O-N 2.93Å; E368-I370 VanDerWaalsContact C-N 3.32Å; E368-I370 PolarHBondContact O-N 2.72Å; E368-A371 WeakPolarHBondContact O-CB 3.1Å; E368-A371 PolarHBondContact O-N 3.26Å; E368-M372 WeakPolarHBondContact O-CG 3.27Å; E368-M372 PolarHBondContact O-N 3.28Å; E368-I1002 WeakPolarHBondContact OE2-CD1 3.46Å; E368-I1002 WeakPolarHBondContact OE2-CG1 3.42Å
369	I	77.6	Confident	76.8	Confident	5 Å²	5	31.6 Å²	31.6	3%	0.026	16%	0.157	C	C	.	.	H	α-helix	trans	-64.1	-38.5	174	-60.3	-63.7	0	0	0	111.3	G365 A366 M372 D373 V1187 W1191 V1229 L1243	G365-I369 PolarHBondContact O-N 2.92Å; A366-I369 PolarHBondContact O-N 3.47Å; I369-M372 HydrophobicContact CD1-SD 4.23Å; I369-M372 PolarHBondContact O-N 3.42Å; I369-D373 WeakPolarHBondContact O-CB 3.16Å; I369-D373 PolarHBondContact O-N 2.79Å; I369-V1187 HydrophobicContact CG2-CB 4.02Å; I369-V1187 HydrophobicContact CG2-CG2 4.48Å; I369-W1191 HydrophobicContact CB-CZ3 4.11Å; I369-W1191 HydrophobicContact CG2-CZ3 3.79Å; I369-V1229 HydrophobicContact CD1-CG1 4.22Å; I369-V1229 HydrophobicContact CD1-CG2 4.02Å; I369-V1229 HydrophobicContact CG1-CG2 3.75Å; I369-L1243 HydrophobicContact CD1-CD1 4.24Å; I369-L1243 HydrophobicContact CD1-CD2 4.43Å; I369-L1243 HydrophobicContact CD1-CG 3.93Å; I369-L1243 HydrophobicContact CG1-CD1 3.94Å; I369-L1243 HydrophobicContact CG1-CD2 4.06Å; I369-L1243 HydrophobicContact CG1-CG 3.92Å; I369-L1243 HydrophobicContact CG2-CD1 4.16Å
370	I	80.6	Confident	77.6	Confident	1 Å²	1	32.4 Å²	32.4	1%	0.005	16%	0.161	C	C	.	.	H	α-helix	trans	-64.8	-42.8	174.9	-69.3	161.9	0	0	0	110.7	L342 F355 V359 A366 M367 E368 M372 D373 M374 V1188	L342-I370 HydrophobicContact CD1-CG2 4.25Å; F355-I370 HydrophobicContact CE2-CD1 3.69Å; F355-I370 HydrophobicContact CZ-CD1 3.83Å; V359-I370 HydrophobicContact CB-CD1 4.25Å; V359-I370 HydrophobicContact CG1-CD1 3.74Å; V359-I370 HydrophobicContact CG2-CD1 3.36Å; A366-I370 WeakPolarHBondContact O-CG1 3.16Å; A366-I370 PolarHBondContact O-N 2.95Å; M367-I370 PolarHBondContact O-N 3.23Å; M367-I370 HydrophobicContact SD-CD1 4.2Å; E368-I370 VanDerWaalsContact C-N 3.32Å; E368-I370 PolarHBondContact O-N 2.72Å; I370-M372 VanDerWaalsContact C-N 3.34Å; I370-M372 PolarHBondContact O-N 3.26Å; I370-D373 PolarHBondContact O-N 3.26Å; I370-M374 HydrophobicContact CG2-CE 4.08Å; I370-M374 HydrophobicContact CG2-CG 4.33Å; I370-M374 HydrophobicContact CG2-SD 4.36Å; I370-M374 WeakPolarHBondContact O-CB 3.44Å; I370-M374 VanDerWaalsContact O-CG 3.27Å; I370-M374 WeakPolarHBondContact O-CG 3.32Å; I370-M374 PolarHBondContact O-N 3.04Å; I370-V1188 HydrophobicContact CG1-CG2 3.92Å
371	A	82.6	Confident	78.5	Confident	15 Å²	15	28.9 Å²	28.9	12%	0.124	14%	0.144	C	C	.	.	H	α-helix	trans	-60.2	-43.3	175.8	0	0	0	0	0	112	L113 M367 E368 M374 K375 Y380	L113-A371 HydrophobicContact CD2-CB 4.14Å; M367-A371 WeakPolarHBondContact O-CB 3.45Å; M367-A371 PolarHBondContact O-N 2.96Å; E368-A371 WeakPolarHBondContact O-CB 3.1Å; E368-A371 PolarHBondContact O-N 3.26Å; A371-M374 HydrophobicContact CB-CE 4.41Å; A371-M374 PolarHBondContact O-N 3.29Å; A371-K375 PolarHBondContact O-N 3.3Å; A371-Y380 HydrophobicContact CB-CD1 4.4Å; A371-Y380 HydrophobicContact CB-CE1 4Å
372	M	80.8	Confident	79.5	Confident	6 Å²	6	20.7 Å²	20.7	3%	0.03	12%	0.116	C	C	.	.	H	α-helix	trans	-63	-45.7	174.6	-70.5	169.1	57.9	0	0	112.3	S115 V116 E368 I369 I370 K375 L376 V1241	S115-M372 WeakPolarHBondContact OG-CE 3.17Å; V116-M372 HydrophobicContact CG1-CB 4.42Å; V116-M372 HydrophobicContact CG1-CE 3.73Å; V116-M372 HydrophobicContact CG2-CB 3.95Å; V116-M372 HydrophobicContact CG2-CG 4.1Å; E368-M372 WeakPolarHBondContact O-CG 3.27Å; E368-M372 PolarHBondContact O-N 3.28Å; I369-M372 HydrophobicContact CD1-SD 4.23Å; I369-M372 PolarHBondContact O-N 3.42Å; I370-M372 VanDerWaalsContact C-N 3.34Å; I370-M372 PolarHBondContact O-N 3.26Å; M372-K375 PolarHBondContact O-N 2.97Å; M372-L376 WeakPolarHBondContact O-CG 3.02Å; M372-L376 PolarHBondContact O-N 2.96Å; M372-V1241 HydrophobicContact CE-CB 3.71Å; M372-V1241 HydrophobicContact CE-CG1 3.86Å; M372-V1241 HydrophobicContact SD-CB 4.01Å; M372-V1241 HydrophobicContact SD-CG1 3.57Å; M372-V1241 VanDerWaalsContact SD-CG1 3.57Å
373	D	84	Confident	80.7	Confident	0 Å²	0	17 Å²	17	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-64.7	-39.2	177.7	179.7	71	0	0	0	112	I369 I370 K375 L376 R377 S1186 V1188	I369-D373 WeakPolarHBondContact O-CB 3.16Å; I369-D373 PolarHBondContact O-N 2.79Å; I370-D373 PolarHBondContact O-N 3.26Å; D373-K375 VanDerWaalsContact C-N 3.32Å; D373-K375 PolarHBondContact O-N 3.37Å; D373-L376 PolarHBondContact O-N 3.2Å; D373-R377 VanDerWaalsContact CG-NE 3.35Å; D373-R377 WeakPolarHBondContact O-CB 3.19Å; D373-R377 VanDerWaalsContact O-CG 3.27Å; D373-R377 WeakPolarHBondContact O-CG 3.31Å; D373-R377 PolarHBondContact O-N 2.93Å; D373-R377 IonicContact OD1-CZ 3.48Å; D373-R377 IonicContact OD1-NE 2.72Å; D373-R377 PolarHBondContact OD1-NE 3.47Å; D373-R377 IonicContact OD1-NH2 3.11Å; D373-R377 PolarHBondContact OD1-NH2 2.89Å; D373-R377 IonicContact OD2-CZ 3.13Å; D373-R377 IonicContact OD2-NE 2.74Å; D373-R377 PolarHBondContact OD2-NE 3.47Å; D373-R377 IonicContact OD2-NH1 2.65Å; D373-R377 IonicContact OD2-NH2 2.93Å; D373-R377 PolarHBondContact OD2-NH2 3.45Å; D373-S1186 WeakPolarHBondContact OD1-CA 3.36Å; D373-S1186 WeakPolarHBondContact OD1-CB 3.45Å; D373-S1186 PolarHBondContact OD1-OG 3Å; D373-V1188 HydrophobicContact CB-CB 4.17Å; D373-V1188 HydrophobicContact CB-CG2 3.49Å; D373-V1188 VanDerWaalsContact CB-CG2 3.49Å; D373-V1188 WeakPolarHBondContact OD2-CB 3.35Å
374	M	86.8	Confident	81.9	Confident	0 Å²	0	18.3 Å²	18.3	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-61.9	-40.3	172.8	-71.8	-171.7	-63.6	0	0	111.7	A328 M334 L340 L342 I370 A371 R377 G378 L379 Y380	A328-M374 HydrophobicContact CB-CE 4.34Å; M334-M374 HydrophobicContact CE-CE 4.08Å; M334-M374 HydrophobicContact CE-SD 3.81Å; L340-M374 HydrophobicContact CD1-SD 4.23Å; L342-M374 HydrophobicContact CD1-CG 4.48Å; L342-M374 HydrophobicContact CD1-SD 3.93Å; L342-M374 HydrophobicContact CD2-CG 3.87Å; L342-M374 HydrophobicContact CD2-SD 4.38Å; I370-M374 HydrophobicContact CG2-CE 4.08Å; I370-M374 HydrophobicContact CG2-CG 4.33Å; I370-M374 HydrophobicContact CG2-SD 4.36Å; I370-M374 WeakPolarHBondContact O-CB 3.44Å; I370-M374 VanDerWaalsContact O-CG 3.27Å; I370-M374 WeakPolarHBondContact O-CG 3.32Å; I370-M374 PolarHBondContact O-N 3.04Å; A371-M374 HydrophobicContact CB-CE 4.41Å; A371-M374 PolarHBondContact O-N 3.29Å; M374-R377 PolarHBondContact O-N 3.46Å; M374-G378 PolarHBondContact O-N 3.22Å; M374-G378 VanDerWaalsContact O-N 3.13Å; M374-L379 HydrophobicContact CB-CB 4.27Å; M374-L379 PolarHBondContact O-N 2.89Å; M374-Y380 VanDerWaalsContact CB-CB 3.47Å; M374-Y380 HydrophobicContact CB-CD1 4.4Å; M374-Y380 HydrophobicContact CB-CG 4.27Å; M374-Y380 HydrophobicContact CE-CD1 4.01Å; M374-Y380 HydrophobicContact CE-CD2 4.5Å; M374-Y380 HydrophobicContact CE-CE1 4.4Å; M374-Y380 HydrophobicContact CE-CG 4.04Å; M374-Y380 PolarHBondContact O-N 3.19Å
375	K	87.6	Confident	83	Confident	5 Å²	5	14.2 Å²	14.2	2%	0.022	8%	0.075	C	C	.	.	H	α-helix	trans	-65.3	-46.1	175	178.4	171.6	173.5	-169.6	0	111.9	E109 L113 V116 A371 M372 D373 R377 G378 Y380 L381	E109-K375 WeakPolarHBondContact OE1-CE 3.27Å; E109-K375 IonicContact OE1-NZ 3.7Å; E109-K375 PolarHBondContact OE1-NZ 3.48Å; E109-K375 IonicContact OE2-NZ 2.76Å; E109-K375 PolarHBondContact OE2-NZ 3.37Å; L113-K375 HydrophobicContact CB-CD 4.25Å; L113-K375 HydrophobicContact CD2-CB 4.13Å; L113-K375 HydrophobicContact CD2-CD 4.03Å; L113-K375 PolarHBondContact O-NZ 3.47Å; V116-K375 HydrophobicContact CG2-CB 4.35Å; V116-K375 HydrophobicContact CG2-CD 4.06Å; V116-K375 HydrophobicContact CG2-CG 4.32Å; V116-K375 WeakPolarHBondContact O-CE 3.37Å; V116-K375 PolarHBondContact O-NZ 3.32Å; A371-K375 PolarHBondContact O-N 3.3Å; M372-K375 PolarHBondContact O-N 2.97Å; D373-K375 VanDerWaalsContact C-N 3.32Å; D373-K375 PolarHBondContact O-N 3.37Å; K375-R377 PolarHBondContact O-N 2.91Å; K375-G378 WeakPolarHBondContact O-CA 3.23Å; K375-G378 PolarHBondContact O-N 3.16Å; K375-Y380 WeakPolarHBondContact CA-O 3.38Å; K375-L381 HydrophobicContact CD-CD2 3.98Å; K375-L381 HydrophobicContact CG-CD2 3.94Å
376	L	87.1	Confident	83.8	Confident	46 Å²	46	13.9 Å²	13.9	24%	0.241	7%	0.071	C	C	.	.	H	α-helix	trans	-56	-37.6	174.8	-77.7	170.6	0	0	0	112.3	V116 P119 M372 D373 G378	V116-L376 HydrophobicContact CB-CD1 4.41Å; V116-L376 HydrophobicContact CB-CD2 3.76Å; V116-L376 HydrophobicContact CB-CG 3.82Å; V116-L376 HydrophobicContact CG1-CD1 3.96Å; V116-L376 HydrophobicContact CG1-CD2 3.98Å; V116-L376 HydrophobicContact CG1-CG 3.93Å; V116-L376 HydrophobicContact CG2-CG 4.36Å; P119-L376 WeakPolarHBondContact CD-O 3.43Å; M372-L376 WeakPolarHBondContact O-CG 3.02Å; M372-L376 PolarHBondContact O-N 2.96Å; D373-L376 PolarHBondContact O-N 3.2Å; L376-G378 VanDerWaalsContact C-N 3.28Å; L376-G378 PolarHBondContact O-N 3.12Å
377	R	85.8	Confident	84.1	Confident	47 Å²	47	14.5 Å²	14.5	18%	0.177	7%	0.073	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.6	-10.1	176.4	-68.5	175.5	-166.5	-157	4.7	113.5	Q151 D373 M374 K375 L379 M1029 S1186	Q151-R377 PolarHBondContact NE2-O 2.91Å; D373-R377 VanDerWaalsContact CG-NE 3.35Å; D373-R377 WeakPolarHBondContact O-CB 3.19Å; D373-R377 VanDerWaalsContact O-CG 3.27Å; D373-R377 WeakPolarHBondContact O-CG 3.31Å; D373-R377 PolarHBondContact O-N 2.93Å; D373-R377 IonicContact OD1-CZ 3.48Å; D373-R377 IonicContact OD1-NE 2.72Å; D373-R377 PolarHBondContact OD1-NE 3.47Å; D373-R377 IonicContact OD1-NH2 3.11Å; D373-R377 PolarHBondContact OD1-NH2 2.89Å; D373-R377 IonicContact OD2-CZ 3.13Å; D373-R377 IonicContact OD2-NE 2.74Å; D373-R377 PolarHBondContact OD2-NE 3.47Å; D373-R377 IonicContact OD2-NH1 2.65Å; D373-R377 IonicContact OD2-NH2 2.93Å; D373-R377 PolarHBondContact OD2-NH2 3.45Å; M374-R377 PolarHBondContact O-N 3.46Å; K375-R377 PolarHBondContact O-N 2.91Å; R377-L379 VanDerWaalsContact C-N 3.35Å; R377-L379 HydrophobicContact CB-CD1 3.8Å; R377-L379 HydrophobicContact CB-CG 3.88Å; R377-M1029 HydrophobicContact CG-CE 3.45Å; R377-M1029 VanDerWaalsContact CG-CE 3.45Å; R377-M1029 HydrophobicContact CG-SD 4.1Å; R377-S1186 PolarHBondContact NH2-OG 2.97Å
378	G	90	Very high	84.1	Confident	2 Å²	2	16.7 Å²	16.7	2%	0.021	9%	0.087	C	C	.	.	T	Hydrogen-bonded Turn	trans	71.4	26.4	-174.5	0	0	0	0	0	113.6	Q151 Y164 M374 K375 L376	Q151-G378 WeakPolarHBondContact CG-O 3.36Å; Q151-G378 VanDerWaalsContact NE2-C 3.28Å; Q151-G378 PolarHBondContact NE2-O 3.11Å; Y164-G378 WeakPolarHBondContact CD2-O 3.31Å; Y164-G378 VanDerWaalsContact CE2-O 3.26Å; Y164-G378 WeakPolarHBondContact CE2-O 3.45Å; M374-G378 PolarHBondContact O-N 3.22Å; M374-G378 VanDerWaalsContact O-N 3.13Å; K375-G378 WeakPolarHBondContact O-CA 3.23Å; K375-G378 PolarHBondContact O-N 3.16Å; L376-G378 VanDerWaalsContact C-N 3.28Å; L376-G378 PolarHBondContact O-N 3.12Å
379	L	90.8	Very high	84.3	Confident	8 Å²	8	16.4 Å²	16.4	4%	0.042	9%	0.094	C	C	.	.	S	Bend	trans	-91.6	-17.7	178.4	-64.7	168.2	0	0	0	112.8	Q151 Y164 L165 L340 M374 R377	Q151-L379 HydrophobicContact CG-CD2 4.04Å; Y164-L379 WeakPolarHBondContact CD2-O 3.49Å; L165-L379 PolarHBondContact N-O 3.35Å; L340-L379 WeakPolarHBondContact O-CD1 3.48Å; M374-L379 HydrophobicContact CB-CB 4.27Å; M374-L379 PolarHBondContact O-N 2.89Å; R377-L379 VanDerWaalsContact C-N 3.35Å; R377-L379 HydrophobicContact CB-CD1 3.8Å; R377-L379 HydrophobicContact CB-CG 3.88Å
380	Y	90.7	Very high	84.4	Confident	17 Å²	17	16.2 Å²	16.2	7%	0.067	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	136.1	-167.5	179.6	-117.6	0	0	0	112.2	L113 L165 A328 A371 M374 K375 A382	L113-Y380 HydrophobicContact CD1-CE1 4.33Å; L113-Y380 HydrophobicContact CD2-CE1 4.44Å; L165-Y380 HydrophobicContact CB-CD2 3.96Å; L165-Y380 HydrophobicContact CD2-CD2 3.49Å; L165-Y380 VanDerWaalsContact CD2-CD2 3.49Å; L165-Y380 HydrophobicContact CD2-CE2 3.58Å; L165-Y380 HydrophobicContact CG-CD2 3.56Å; L165-Y380 HydrophobicContact CG-CE2 3.82Å; L165-Y380 WeakPolarHBondContact O-CA 3.18Å; L165-Y380 WeakPolarHBondContact O-CD2 3.35Å; A328-Y380 HydrophobicContact CB-CE2 4.49Å; A371-Y380 HydrophobicContact CB-CD1 4.4Å; A371-Y380 HydrophobicContact CB-CE1 4Å; M374-Y380 VanDerWaalsContact CB-CB 3.47Å; M374-Y380 HydrophobicContact CB-CD1 4.4Å; M374-Y380 HydrophobicContact CB-CG 4.27Å; M374-Y380 HydrophobicContact CE-CD1 4.01Å; M374-Y380 HydrophobicContact CE-CD2 4.5Å; M374-Y380 HydrophobicContact CE-CE1 4.4Å; M374-Y380 HydrophobicContact CE-CG 4.04Å; M374-Y380 PolarHBondContact O-N 3.19Å; K375-Y380 WeakPolarHBondContact CA-O 3.38Å; Y380-A382 HydrophobicContact CE1-CB 3.75Å; Y380-A382 HydrophobicContact CE2-CB 4.05Å; Y380-A382 WeakPolarHBondContact OH-CB 3.29Å
381	L	90.3	Very high	84.4	Confident	2 Å²	2	18.7 Å²	18.7	1%	0.01	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	140.6	161.8	-71	173.8	0	0	0	108.6	E143 Y147 Y164 G167 K375	E143-L381 HydrophobicContact CG-CD1 4.37Å; Y147-L381 HydrophobicContact CD2-CD1 3.91Å; Y147-L381 HydrophobicContact CE2-CD1 4.37Å; Y164-L381 WeakPolarHBondContact OH-CG 3.47Å; G167-L381 VanDerWaalsContact CA-O 3.28Å; G167-L381 WeakPolarHBondContact CA-O 3.47Å; G167-L381 PolarHBondContact N-O 3.45Å; K375-L381 HydrophobicContact CD-CD2 3.98Å; K375-L381 HydrophobicContact CG-CD2 3.94Å
382	A	88.3	Confident	84	Confident	13 Å²	13	19.4 Å²	19.4	11%	0.107	11%	0.111	C	C	.	.			trans	-139.7	105.8	177.6	0	0	0	0	0	111.2	L113 G167 Y380	L113-A382 HydrophobicContact CD1-CB 4.03Å; G167-A382 WeakPolarHBondContact O-CB 3.41Å; Y380-A382 HydrophobicContact CE1-CB 3.75Å; Y380-A382 HydrophobicContact CE2-CB 4.05Å; Y380-A382 WeakPolarHBondContact OH-CB 3.29Å
383	R	89.6	Confident	83.8	Confident	1 Å²	1	24 Å²	24	0%	0.004	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	154.6	-179.2	-58.3	154.4	-59.7	-170.4	10.4	109.8	Y92 V107 V108 L140 E143 T144 D168 G169	Y92-R383 VanDerWaalsContact CD1-CD 3.49Å; Y92-R383 HydrophobicContact CD1-CG 4.15Å; Y92-R383 HydrophobicContact CD2-CG 4.07Å; Y92-R383 HydrophobicContact CE1-CG 4.26Å; Y92-R383 HydrophobicContact CE2-CG 4.16Å; Y92-R383 HydrophobicContact CG-CG 4.02Å; V107-R383 HydrophobicContact CG1-CB 3.61Å; V108-R383 CarbonylContact O-C 3.58Å; V108-R383 WeakPolarHBondContact O-CA 3.25Å; L140-R383 VanDerWaalsContact CD2-NH2 3.29Å; L140-R383 VanDerWaalsContact CG-NH1 3.35Å; L140-R383 PolarHBondContact O-NH1 3.33Å; L140-R383 PolarHBondContact O-NH2 3.43Å; E143-R383 IonicContact OE2-NH1 2.99Å; E143-R383 PolarHBondContact OE2-NH1 3.17Å; T144-R383 VanDerWaalsContact OG1-CZ 3.3Å; T144-R383 PolarHBondContact OG1-NH1 2.73Å; T144-R383 PolarHBondContact OG1-NH2 3.15Å; D168-R383 CarbonylContact C-O 3.57Å; D168-R383 VanDerWaalsContact CA-O 3.29Å; D168-R383 WeakPolarHBondContact CA-O 3.45Å; D168-R383 WeakPolarHBondContact OD1-CB 3.31Å; D168-R383 IonicContact OD1-CZ 3.94Å; D168-R383 PolarHBondContact OD1-N 2.77Å; D168-R383 IonicContact OD1-NE 2.63Å; D168-R383 PolarHBondContact OD1-NE 3.24Å; D168-R383 IonicContact OD1-NH2 3.74Å; D168-R383 PolarHBondContact OD1-NH2 3.18Å; D168-R383 IonicContact OD2-CZ 3.65Å; D168-R383 IonicContact OD2-NE 2.74Å; D168-R383 IonicContact OD2-NH2 3.68Å; D168-R383 PolarHBondContact OD2-NH2 3.31Å; G169-R383 PolarHBondContact N-O 3.17Å
384	Q	84.9	Confident	83.6	Confident	58 Å²	58	26.7 Å²	26.7	27%	0.271	14%	0.144	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	143.8	-177.9	-65.7	-177.9	-10.9	0	0	110	Y89 V107 V108 S386	Y89-Q384 PolarHBondContact OH-OE1 2.7Å; Y89-Q384 VanDerWaalsContact OH-OE1 3.11Å; V107-Q384 WeakPolarHBondContact CA-O 3.5Å; V107-Q384 WeakPolarHBondContact CG1-O 3.41Å; V108-Q384 HydrophobicContact CG2-CB 4.32Å; V108-Q384 WeakPolarHBondContact CG2-O 3.28Å; V108-Q384 PolarHBondContact N-O 2.84Å; V108-Q384 PolarHBondContact O-N 3.36Å; Q384-S386 PolarHBondContact O-N 2.92Å
385	L	84.1	Confident	83.3	Confident	8 Å²	8	28.4 Å²	28.4	4%	0.042	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61	135.6	171.4	-169.1	68.2	0	0	0	108.4	D105 V107 V172 F387 H839	D105-L385 HydrophobicContact CB-CD1 3.6Å; V107-L385 HydrophobicContact CG2-CD1 4.39Å; V172-L385 HydrophobicContact CG2-CB 4.37Å; L385-F387 PolarHBondContact O-N 3.47Å; L385-H839 VanDerWaalsContact CD2-CE1 3.45Å; L385-H839 WeakPolarHBondContact CD2-CE1 3.23Å
386	S	81.7	Confident	83.1	Confident	5 Å²	5	32.4 Å²	32.4	4%	0.035	17%	0.171	C	C	.	.			trans	-67	132.7	178.4	-166.7	0	0	0	0	110.6	P106 Q384 T388 H839 T877	P106-S386 WeakPolarHBondContact O-CB 3.36Å; P106-S386 PolarHBondContact O-N 3.44Å; Q384-S386 PolarHBondContact O-N 2.92Å; S386-T388 PolarHBondContact O-N 2.63Å; S386-T388 PolarHBondContact OG-N 3.06Å; S386-T388 PolarHBondContact OG-OG1 3.34Å; S386-H839 PolarHBondContact O-CE1 3Å; S386-H839 PolarHBondContact O-NE2 2.69Å; S386-H839 VanDerWaalsContact O-NE2 3.09Å; S386-T877 VanDerWaalsContact OG-CB 3.28Å; S386-T877 WeakPolarHBondContact OG-CB 3.47Å
387	F	75.8	Confident	83.2	Confident	16 Å²	16	31 Å²	31	7%	0.07	16%	0.164	C	C	.	.			trans	-77	14.6	170.5	-66.8	-85.3	0	0	0	112.3	L385 G389 V390 F392 H839 L873 T877	L385-F387 PolarHBondContact O-N 3.47Å; F387-G389 PolarHBondContact O-N 2.77Å; F387-V390 HydrophobicContact CB-CB 4.08Å; F387-V390 HydrophobicContact CB-CG2 4.15Å; F387-V390 HydrophobicContact CD1-CB 4.23Å; F387-V390 HydrophobicContact CD1-CG1 4.15Å; F387-V390 HydrophobicContact CD1-CG2 4.05Å; F387-V390 WeakPolarHBondContact O-CA 3.46Å; F387-V390 WeakPolarHBondContact O-CB 3.48Å; F387-V390 WeakPolarHBondContact O-CG2 3.3Å; F387-V390 PolarHBondContact O-N 3.32Å; F387-F392 HydrophobicContact CD1-CE2 4.23Å; F387-F392 AromaticContact CD1-CZ 3.84Å; F387-F392 HydrophobicContact CD1-CZ 3.84Å; F387-F392 HydrophobicContact CE1-CZ 4.06Å; F387-H839 AromaticContact CD1-CD2 3.67Å; F387-H839 AromaticContact CD1-NE2 3.89Å; F387-H839 AromaticContact CE1-CD2 3.75Å; F387-L873 HydrophobicContact CD2-CB 4.39Å; F387-L873 HydrophobicContact CE2-CB 4.27Å; F387-T877 WeakPolarHBondContact CA-OG1 3.29Å; F387-T877 HydrophobicContact CB-CG2 3.91Å; F387-T877 WeakPolarHBondContact CB-OG1 3.44Å; F387-T877 HydrophobicContact CD2-CG2 4.18Å; F387-T877 VanDerWaalsContact N-CB 3.35Å; F387-T877 VanDerWaalsContact N-CG2 3.26Å; F387-T877 PolarHBondContact N-OG1 3.37Å; F387-T877 PolarHBondContact O-OG1 3.4Å
388	T	74.4	Confident	83.3	Confident	58 Å²	58	33.6 Å²	33.6	36%	0.356	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.1	130.3	174.9	-45.9	0	0	0	0	109.6	S386 V390 S846 T877	S386-T388 PolarHBondContact O-N 2.63Å; S386-T388 PolarHBondContact OG-N 3.06Å; S386-T388 PolarHBondContact OG-OG1 3.34Å; T388-V390 VanDerWaalsContact C-N 3.25Å; T388-V390 PolarHBondContact O-N 3.39Å; T388-S846 PolarHBondContact O-OG 3.24Å; T388-T877 WeakPolarHBondContact CB-O 3.2Å; T388-T877 PolarHBondContact N-OG1 2.85Å; T388-T877 PolarHBondContact OG1-O 3.41Å
389	G	76.3	Confident	83.3	Confident	32 Å²	32	34.4 Å²	34.4	33%	0.33	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	78.5	-6.3	-174.4	0	0	0	0	0	115.8	F387 R816 S846 H878	F387-G389 PolarHBondContact O-N 2.77Å; G389-R816 PolarHBondContact O-NH2 3.28Å; G389-R816 VanDerWaalsContact O-NH2 3.09Å; G389-S846 VanDerWaalsContact C-CB 3.45Å; G389-S846 WeakPolarHBondContact O-CB 3.29Å; G389-H878 WeakPolarHBondContact CA-CE1 3.46Å; G389-H878 PolarHBondContact N-CE1 3.19Å; G389-H878 PolarHBondContact N-ND1 3.49Å
390	V	81.3	Confident	83.2	Confident	1 Å²	1	37 Å²	37	1%	0.006	21%	0.208	C	C	.	.			trans	-83.2	125.8	175.8	178.7	0	0	0	0	110	F387 T388 F392 P847 Y849 H878	F387-V390 HydrophobicContact CB-CB 4.08Å; F387-V390 HydrophobicContact CB-CG2 4.15Å; F387-V390 HydrophobicContact CD1-CB 4.23Å; F387-V390 HydrophobicContact CD1-CG1 4.15Å; F387-V390 HydrophobicContact CD1-CG2 4.05Å; F387-V390 WeakPolarHBondContact O-CA 3.46Å; F387-V390 WeakPolarHBondContact O-CB 3.48Å; F387-V390 WeakPolarHBondContact O-CG2 3.3Å; F387-V390 PolarHBondContact O-N 3.32Å; T388-V390 VanDerWaalsContact C-N 3.25Å; T388-V390 PolarHBondContact O-N 3.39Å; V390-F392 HydrophobicContact CB-CE2 4.34Å; V390-F392 HydrophobicContact CG1-CD2 4.24Å; V390-F392 HydrophobicContact CG1-CE1 4.44Å; V390-F392 HydrophobicContact CG1-CE2 3.62Å; V390-F392 HydrophobicContact CG1-CZ 3.74Å; V390-P847 WeakPolarHBondContact CA-O 3.32Å; V390-P847 HydrophobicContact CG2-CG 4.31Å; V390-Y849 HydrophobicContact CG1-CD2 3.33Å; V390-Y849 HydrophobicContact CG1-CE2 3.43Å; V390-Y849 VanDerWaalsContact CG1-CE2 3.43Å; V390-H878 PolarHBondContact O-NE2 3.01Å
391	S	78.9	Confident	83.2	Confident	52 Å²	52	39.7 Å²	39.7	36%	0.364	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	137.4	173.7	60.5	0	0	0	0	110.8	E848 Y849	S391-E848 WeakPolarHBondContact OG-CG 3.18Å; S391-Y849 PolarHBondContact O-N 3.4Å
392	F	76	Confident	83.3	Confident	31 Å²	31	46 Å²	46	14%	0.136	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	139.7	169.8	-63	-88.4	0	0	0	108.7	F387 V390 F835 Y849 F851 L870 E871	F387-F392 HydrophobicContact CD1-CE2 4.23Å; F387-F392 AromaticContact CD1-CZ 3.84Å; F387-F392 HydrophobicContact CD1-CZ 3.84Å; F387-F392 HydrophobicContact CE1-CZ 4.06Å; V390-F392 HydrophobicContact CB-CE2 4.34Å; V390-F392 HydrophobicContact CG1-CD2 4.24Å; V390-F392 HydrophobicContact CG1-CE1 4.44Å; V390-F392 HydrophobicContact CG1-CE2 3.62Å; V390-F392 HydrophobicContact CG1-CZ 3.74Å; F392-F835 HydrophobicContact CE1-CD2 4.28Å; F392-F835 AromaticContact CE1-CE2 3.96Å; F392-F835 HydrophobicContact CE1-CE2 3.96Å; F392-Y849 AromaticContact CD1-CD2 3.91Å; F392-Y849 HydrophobicContact CD1-CD2 3.91Å; F392-Y849 HydrophobicContact CD1-CG 4.09Å; F392-Y849 AromaticContact CE1-CD2 3.36Å; F392-Y849 HydrophobicContact CE1-CD2 3.36Å; F392-Y849 HydrophobicContact CE1-CE2 4.17Å; F392-Y849 AromaticContact CE1-CG 3.83Å; F392-Y849 HydrophobicContact CE1-CG 3.83Å; F392-Y849 AromaticContact CZ-CD2 3.74Å; F392-Y849 HydrophobicContact CZ-CD2 3.74Å; F392-Y849 HydrophobicContact CZ-CE2 4.25Å; F392-F851 HydrophobicContact CB-CE2 4.47Å; F392-F851 AromaticContact CD1-CE2 3.73Å; F392-F851 HydrophobicContact CD1-CE2 3.73Å; F392-F851 AromaticContact CD1-CZ 3.71Å; F392-F851 HydrophobicContact CD1-CZ 3.71Å; F392-F851 HydrophobicContact CE1-CZ 4.16Å; F392-L870 HydrophobicContact CD1-CB 4.26Å; F392-L870 HydrophobicContact CE1-CB 4.17Å; F392-E871 HydrophobicContact CB-CG 4.22Å
393	R	75.7	Confident	83.4	Confident	103 Å²	103	46.7 Å²	46.7	39%	0.389	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144	140.2	166.7	72.5	-173.8	-159.5	-165.4	10.3	110.1	E395 L465 Y849 I850 F851	R393-E395 IonicContact CZ-OE2 3.6Å; R393-E395 IonicContact NE-OE2 3.81Å; R393-E395 IonicContact NH2-OE2 3.71Å; R393-E395 PolarHBondContact NH2-OE2 3.29Å; R393-E395 VanDerWaalsContact NH2-OE2 3.08Å; R393-L465 VanDerWaalsContact NH2-CD2 3.34Å; R393-Y849 PolarHBondContact N-O 3.15Å; R393-I850 HydrophobicContact CG-CB 4.37Å; R393-I850 HydrophobicContact CG-CG1 4.03Å; R393-I850 HydrophobicContact CG-CG2 4.18Å; R393-I850 WeakPolarHBondContact O-CA 3.34Å; R393-F851 PolarHBondContact O-N 3.02Å
394	V	79.2	Confident	83.5	Confident	55 Å²	55	49.3 Å²	49.3	33%	0.333	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	129.6	168.8	-176.4	0	0	0	0	107.5	F851 I853 A867	V394-F851 HydrophobicContact CG2-CB 4.4Å; V394-F851 HydrophobicContact CG2-CD2 4.13Å; V394-I853 HydrophobicContact CG1-CD1 3.48Å; V394-I853 VanDerWaalsContact CG1-CD1 3.48Å; V394-I853 HydrophobicContact CG1-CG1 3.79Å; V394-I853 HydrophobicContact CG1-CG2 3.9Å; V394-A867 HydrophobicContact CG2-CB 3.24Å
395	E	81.4	Confident	83.9	Confident	37 Å²	37	51.9 Å²	51.9	17%	0.173	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	110.7	176.6	-170.9	163.8	164.6	0	0	108	R393 R464 L465 I850 F851 L852 I853	R393-E395 IonicContact CZ-OE2 3.6Å; R393-E395 IonicContact NE-OE2 3.81Å; R393-E395 IonicContact NH2-OE2 3.71Å; R393-E395 PolarHBondContact NH2-OE2 3.29Å; R393-E395 VanDerWaalsContact NH2-OE2 3.08Å; E395-R464 IonicContact OE1-CZ 3.9Å; E395-R464 IonicContact OE1-NH1 3.06Å; E395-R464 IonicContact OE1-NH2 2.68Å; E395-R464 PolarHBondContact OE1-NH2 3.08Å; E395-L465 WeakPolarHBondContact OE1-CD2 3.25Å; E395-L465 VanDerWaalsContact OE2-CD1 3.31Å; E395-L465 WeakPolarHBondContact OE2-CD1 3.36Å; E395-L465 VanDerWaalsContact OE2-CD2 3.32Å; E395-L465 WeakPolarHBondContact OE2-CD2 3.3Å; E395-I850 HydrophobicContact CB-CG2 4.17Å; E395-F851 PolarHBondContact N-O 3.3Å; E395-L852 HydrophobicContact CB-CD2 3.95Å; E395-L852 HydrophobicContact CG-CD2 4.21Å; E395-I853 PolarHBondContact O-N 3.44Å; E395-I853 VanDerWaalsContact O-N 3.11Å
396	E	83.9	Confident	84.3	Confident	89 Å²	89	51.9 Å²	51.9	42%	0.416	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	129.8	178.1	-175	164.5	-162.1	0	0	110.1	I853 E855 Q860	E396-I853 CarbonylContact C-O 3.53Å; E396-I853 WeakPolarHBondContact CA-O 3.36Å; E396-I853 HydrophobicContact CB-CD1 4.2Å; E396-I853 HydrophobicContact CB-CG1 3.94Å; E396-I853 HydrophobicContact CG-CD1 4.38Å; E396-I853 HydrophobicContact CG-CG1 4.18Å; E396-E855 HydrophobicContact CG-CG 4.35Å; E396-Q860 PolarHBondContact OE1-NE2 3.25Å
397	V	88.1	Confident	84.8	Confident	17 Å²	17	51.7 Å²	51.7	10%	0.103	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	112.2	-178.5	-176.5	0	0	0	0	107.8	K458 A461 L852 I853	V397-K458 HydrophobicContact CB-CG 4.37Å; V397-K458 HydrophobicContact CG2-CG 4.24Å; V397-A461 HydrophobicContact CB-CB 4.45Å; V397-A461 HydrophobicContact CG1-CB 3.93Å; V397-A461 HydrophobicContact CG2-CB 3.6Å; V397-L852 HydrophobicContact CG2-CD2 3.99Å; V397-I853 PolarHBondContact N-O 2.79Å
398	T	88.6	Confident	85.6	Confident	100 Å²	100	52.3 Å²	52.3	61%	0.613	30%	0.296	S	S	*	.	P	Polyproline II helix	trans	-64.7	137.8	174.1	56.6	0	0	0	0	110.6	E855	T398-E855 WeakPolarHBondContact CA-OE2 3.31Å
399	L	88.6	Confident	86.4	Confident	19 Å²	19	51.6 Å²	51.6	10%	0.099	29%	0.288	C	S	.	.	P	Polyproline II helix	trans	-81	133.4	176.1	-58.9	176.3	0	0	0	110.1	F403 I404 A457 E855 L856 V971	L399-F403 HydrophobicContact CD2-CD1 3.9Å; L399-F403 HydrophobicContact CD2-CE1 4.09Å; L399-I404 HydrophobicContact CB-CD1 4.18Å; L399-I404 HydrophobicContact CB-CG1 3.88Å; L399-I404 HydrophobicContact CD1-CG1 4.42Å; L399-A457 HydrophobicContact CD2-CB 3.84Å; L399-E855 HydrophobicContact CD1-CB 4.36Å; L399-E855 HydrophobicContact CG-CB 4.29Å; L399-E855 PolarHBondContact N-OE2 3.5Å; L399-L856 HydrophobicContact CD1-CD2 3.72Å; L399-L856 HydrophobicContact CD1-CG 3.96Å; L399-V971 HydrophobicContact CD1-CG1 4.11Å
400	S	90.7	Very high	87.2	Confident	62 Å²	62	50 Å²	50	43%	0.434	27%	0.273	S	S	.	.	P	Polyproline II helix	trans	-73.9	150.2	172.1	54.9	0	0	0	0	110.9	D402 F403 I404	S400-D402 VanDerWaalsContact C-N 3.27Å; S400-D402 PolarHBondContact O-N 2.9Å; S400-F403 WeakPolarHBondContact O-CA 3.37Å; S400-F403 WeakPolarHBondContact O-CB 3.5Å; S400-F403 PolarHBondContact O-N 3.13Å; S400-F403 WeakPolarHBondContact OG-CB 3.44Å; S400-I404 PolarHBondContact O-N 3.35Å
401	A	90	Very high	87.8	Confident	75 Å²	75	50 Å²	50	62%	0.62	27%	0.272	S	S	*	.	H	α-helix	trans	-52.8	-43.7	176.8	0	0	0	0	0	112.6	F403 I404 H405	A401-F403 PolarHBondContact O-N 2.96Å; A401-I404 PolarHBondContact O-N 2.88Å; A401-H405 PolarHBondContact O-N 3.08Å
402	D	91.2	Very high	88.3	Confident	135 Å²	135	49 Å²	49	72%	0.722	26%	0.262	S	S	*	.	H	α-helix	trans	-58.8	-34.4	175.5	-57	-17.3	0	0	0	112.8	S400 M406	S400-D402 VanDerWaalsContact C-N 3.27Å; S400-D402 PolarHBondContact O-N 2.9Å; D402-M406 WeakPolarHBondContact O-CB 3.36Å; D402-M406 PolarHBondContact O-N 2.57Å
403	F	92.1	Very high	89	Confident	26 Å²	26	47.9 Å²	47.9	11%	0.114	26%	0.257	C	S	.	.	H	α-helix	trans	-75.8	-40.7	-180	-172.4	-83.1	0	0	0	110.6	L399 S400 A401 H405 M406 Y407 L453 A457	L399-F403 HydrophobicContact CD2-CD1 3.9Å; L399-F403 HydrophobicContact CD2-CE1 4.09Å; S400-F403 WeakPolarHBondContact O-CA 3.37Å; S400-F403 WeakPolarHBondContact O-CB 3.5Å; S400-F403 PolarHBondContact O-N 3.13Å; S400-F403 WeakPolarHBondContact OG-CB 3.44Å; A401-F403 PolarHBondContact O-N 2.96Å; F403-H405 VanDerWaalsContact C-N 3.34Å; F403-M406 HydrophobicContact CD1-CE 4.33Å; F403-M406 HydrophobicContact CD2-CE 3.52Å; F403-M406 HydrophobicContact CE1-CE 4.14Å; F403-M406 HydrophobicContact CE2-CE 3.3Å; F403-M406 HydrophobicContact CG-CE 4.03Å; F403-M406 HydrophobicContact CZ-CE 3.6Å; F403-M406 PolarHBondContact O-N 3.28Å; F403-Y407 AromaticContact CE1-CD2 3.96Å; F403-Y407 HydrophobicContact CE1-CD2 3.96Å; F403-Y407 HydrophobicContact CZ-CD2 4.47Å; F403-Y407 VanDerWaalsContact O-CB 3.29Å; F403-Y407 WeakPolarHBondContact O-CB 3.47Å; F403-Y407 PolarHBondContact O-N 3.38Å; F403-L453 HydrophobicContact CZ-CB 4.44Å; F403-L453 VanDerWaalsContact CZ-O 3.29Å; F403-L453 WeakPolarHBondContact CZ-O 3.42Å; F403-A457 HydrophobicContact CD1-CB 4.38Å; F403-A457 HydrophobicContact CE1-CB 3.72Å; F403-A457 HydrophobicContact CE2-CB 3.85Å; F403-A457 HydrophobicContact CZ-CB 3.45Å; F403-A457 VanDerWaalsContact CZ-CB 3.45Å
404	I	91.8	Very high	89.9	Confident	57 Å²	57	43.3 Å²	43.3	29%	0.292	24%	0.24	S	C	.	.	H	α-helix	trans	-60.6	-46.7	174.1	-62.9	171.1	0	0	0	109.7	L399 S400 A401 M406 Y407 D408 V971	L399-I404 HydrophobicContact CB-CD1 4.18Å; L399-I404 HydrophobicContact CB-CG1 3.88Å; L399-I404 HydrophobicContact CD1-CG1 4.42Å; S400-I404 PolarHBondContact O-N 3.35Å; A401-I404 PolarHBondContact O-N 2.88Å; I404-M406 PolarHBondContact O-N 2.83Å; I404-Y407 WeakPolarHBondContact O-CB 3.49Å; I404-Y407 PolarHBondContact O-N 3.47Å; I404-D408 WeakPolarHBondContact O-CB 3.49Å; I404-D408 PolarHBondContact O-N 3.09Å; I404-V971 HydrophobicContact CG2-CB 4.37Å; I404-V971 HydrophobicContact CG2-CG2 4.23Å
405	H	91.6	Very high	90.2	Very high	112 Å²	112	42 Å²	42	52%	0.519	23%	0.23	S	C	.	.	H	α-helix	trans	-58.1	-49.9	175.9	179.2	-89.4	0	0	0	111.9	A401 F403 Y407 D408 E409	A401-H405 PolarHBondContact O-N 3.08Å; F403-H405 VanDerWaalsContact C-N 3.34Å; H405-Y407 VanDerWaalsContact C-N 3.29Å; H405-Y407 PolarHBondContact O-N 2.95Å; H405-D408 PolarHBondContact O-N 3.22Å; H405-E409 WeakPolarHBondContact O-CB 3.42Å; H405-E409 WeakPolarHBondContact O-CG 3.46Å; H405-E409 PolarHBondContact O-N 3.15Å
406	M	93.2	Very high	90.5	Very high	8 Å²	8	41.6 Å²	41.6	4%	0.039	23%	0.229	C	C	.	.	H	α-helix	trans	-58.7	-40.4	175.7	174.6	-78.7	-60.8	0	0	112.5	D402 F403 I404 S410 L453 I744 L745	D402-M406 WeakPolarHBondContact O-CB 3.36Å; D402-M406 PolarHBondContact O-N 2.57Å; F403-M406 HydrophobicContact CD1-CE 4.33Å; F403-M406 HydrophobicContact CD2-CE 3.52Å; F403-M406 HydrophobicContact CE1-CE 4.14Å; F403-M406 HydrophobicContact CE2-CE 3.3Å; F403-M406 HydrophobicContact CG-CE 4.03Å; F403-M406 HydrophobicContact CZ-CE 3.6Å; F403-M406 PolarHBondContact O-N 3.28Å; I404-M406 PolarHBondContact O-N 2.83Å; M406-S410 WeakPolarHBondContact O-CB 3.45Å; M406-S410 PolarHBondContact O-N 3.23Å; M406-S410 PolarHBondContact O-OG 2.92Å; M406-L453 HydrophobicContact CE-CD2 4.16Å; M406-L453 HydrophobicContact SD-CD1 4.03Å; M406-L453 HydrophobicContact SD-CD2 3.88Å; M406-I744 HydrophobicContact CB-CD1 4.12Å; M406-I744 HydrophobicContact CB-CG1 4.49Å; M406-I744 HydrophobicContact CG-CD1 4.25Å; M406-I744 HydrophobicContact CG-CG1 4.15Å; M406-I744 WeakPolarHBondContact CG-O 3.33Å; M406-L745 HydrophobicContact CG-CD2 4.49Å; M406-L745 HydrophobicContact SD-CD2 3.92Å
407	Y	92.6	Very high	90.7	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-65.2	-47.5	179.5	-164.2	-80.8	0	0	0	111.3	F403 I404 H405 S410 V411 F450 L453 L856 L967 L969 V971	F403-Y407 AromaticContact CE1-CD2 3.96Å; F403-Y407 HydrophobicContact CE1-CD2 3.96Å; F403-Y407 HydrophobicContact CZ-CD2 4.47Å; F403-Y407 VanDerWaalsContact O-CB 3.29Å; F403-Y407 WeakPolarHBondContact O-CB 3.47Å; F403-Y407 PolarHBondContact O-N 3.38Å; I404-Y407 WeakPolarHBondContact O-CB 3.49Å; I404-Y407 PolarHBondContact O-N 3.47Å; H405-Y407 VanDerWaalsContact C-N 3.29Å; H405-Y407 PolarHBondContact O-N 2.95Å; Y407-S410 WeakPolarHBondContact O-CA 3.27Å; Y407-S410 VanDerWaalsContact O-CB 3.26Å; Y407-S410 WeakPolarHBondContact O-CB 3.47Å; Y407-S410 PolarHBondContact O-N 3.39Å; Y407-S410 VanDerWaalsContact O-N 3.15Å; Y407-V411 HydrophobicContact CD1-CG2 4.04Å; Y407-V411 HydrophobicContact CE1-CG2 4Å; Y407-V411 WeakPolarHBondContact O-CG2 3.41Å; Y407-V411 PolarHBondContact O-N 3.46Å; Y407-F450 HydrophobicContact CE1-CD1 4.13Å; Y407-F450 HydrophobicContact CE1-CE1 4.15Å; Y407-F450 HydrophobicContact CE2-CD1 4.09Å; Y407-F450 AromaticContact CZ-CD1 3.7Å; Y407-L453 HydrophobicContact CD2-CB 4.18Å; Y407-L453 HydrophobicContact CD2-CD1 4Å; Y407-L453 HydrophobicContact CE2-CB 4.12Å; Y407-L453 HydrophobicContact CE2-CD1 4.3Å; Y407-L856 HydrophobicContact CE2-CD1 3.93Å; Y407-L856 HydrophobicContact CE2-CD2 4.32Å; Y407-L967 PolarHBondContact OH-O 3.36Å; Y407-L969 WeakPolarHBondContact CE1-O 3.3Å; Y407-V971 HydrophobicContact CD1-CG2 3.68Å; Y407-V971 HydrophobicContact CE1-CG2 4.26Å; Y407-V971 HydrophobicContact CG-CG2 4.02Å
408	D	92	Very high	90.7	Very high	29 Å²	29	37.6 Å²	37.6	16%	0.155	21%	0.208	C	C	.	.	H	α-helix	trans	-67.5	-38.7	-179.7	-74.6	-7.7	0	0	0	111.7	I404 H405 S410 V411 K412 F701 P970 V971	I404-D408 WeakPolarHBondContact O-CB 3.49Å; I404-D408 PolarHBondContact O-N 3.09Å; H405-D408 PolarHBondContact O-N 3.22Å; D408-S410 VanDerWaalsContact C-N 3.29Å; D408-S410 PolarHBondContact O-N 3.4Å; D408-V411 WeakPolarHBondContact O-CB 3.47Å; D408-V411 PolarHBondContact O-N 3.33Å; D408-V411 VanDerWaalsContact O-N 3.16Å; D408-K412 WeakPolarHBondContact O-CG 3.47Å; D408-K412 PolarHBondContact O-N 2.85Å; D408-F701 HydrophobicContact CB-CE2 4.01Å; D408-F701 HydrophobicContact CB-CZ 3.99Å; D408-P970 VanDerWaalsContact OD1-CA 3.28Å; D408-P970 WeakPolarHBondContact OD1-CA 3.41Å; D408-V971 PolarHBondContact OD1-N 3.38Å; D408-V971 VanDerWaalsContact OD1-N 3.09Å
409	E	91.5	Very high	90.5	Very high	43 Å²	43	38 Å²	38	20%	0.201	20%	0.198	C	C	.	.	H	α-helix	trans	-62.2	-37.2	170.6	-72.1	-55.5	121.7	0	0	111.9	H405 V411 K412 L413 L741	H405-E409 WeakPolarHBondContact O-CB 3.42Å; H405-E409 WeakPolarHBondContact O-CG 3.46Å; H405-E409 PolarHBondContact O-N 3.15Å; E409-V411 VanDerWaalsContact C-N 3.34Å; E409-V411 PolarHBondContact O-N 3.03Å; E409-K412 PolarHBondContact O-N 3.2Å; E409-K412 WeakPolarHBondContact OE1-CD 3.24Å; E409-K412 WeakPolarHBondContact OE1-CE 3.47Å; E409-K412 IonicContact OE1-NZ 2.63Å; E409-K412 PolarHBondContact OE1-NZ 3.02Å; E409-L413 PolarHBondContact O-N 3.02Å; E409-L741 HydrophobicContact CB-CD1 3.74Å
410	S	93.9	Very high	90.4	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-64.4	-38.9	173.1	-58.6	0	0	0	0	112.3	M406 Y407 D408 L413 W414	M406-S410 WeakPolarHBondContact O-CB 3.45Å; M406-S410 PolarHBondContact O-N 3.23Å; M406-S410 PolarHBondContact O-OG 2.92Å; Y407-S410 WeakPolarHBondContact O-CA 3.27Å; Y407-S410 VanDerWaalsContact O-CB 3.26Å; Y407-S410 WeakPolarHBondContact O-CB 3.47Å; Y407-S410 PolarHBondContact O-N 3.39Å; Y407-S410 VanDerWaalsContact O-N 3.15Å; D408-S410 VanDerWaalsContact C-N 3.29Å; D408-S410 PolarHBondContact O-N 3.4Å; S410-L413 PolarHBondContact O-N 2.95Å; S410-W414 VanDerWaalsContact O-CD1 3.27Å; S410-W414 PolarHBondContact O-N 2.99Å; S410-W414 VanDerWaalsContact O-N 3.11Å
411	V	92.2	Very high	90.2	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-61.6	-46.2	174.4	171.8	0	0	0	0	110.8	Y407 D408 E409 L413 W414 L415 F450 F701 G968 P970	Y407-V411 HydrophobicContact CD1-CG2 4.04Å; Y407-V411 HydrophobicContact CE1-CG2 4Å; Y407-V411 WeakPolarHBondContact O-CG2 3.41Å; Y407-V411 PolarHBondContact O-N 3.46Å; D408-V411 WeakPolarHBondContact O-CB 3.47Å; D408-V411 PolarHBondContact O-N 3.33Å; D408-V411 VanDerWaalsContact O-N 3.16Å; E409-V411 VanDerWaalsContact C-N 3.34Å; E409-V411 PolarHBondContact O-N 3.03Å; V411-L413 VanDerWaalsContact C-N 3.31Å; V411-L413 PolarHBondContact O-N 3.48Å; V411-W414 PolarHBondContact O-N 3.25Å; V411-W414 VanDerWaalsContact O-N 3.13Å; V411-L415 HydrophobicContact CG1-CD1 3.75Å; V411-L415 HydrophobicContact CG1-CG 4.2Å; V411-L415 VanDerWaalsContact O-CG 3.3Å; V411-L415 WeakPolarHBondContact O-CG 3.44Å; V411-L415 PolarHBondContact O-N 2.7Å; V411-F450 HydrophobicContact CG2-CE1 3.69Å; V411-F450 HydrophobicContact CG2-CZ 3.89Å; V411-F701 HydrophobicContact CG1-CE1 4.41Å; V411-G968 WeakPolarHBondContact CG1-O 3.2Å; V411-P970 HydrophobicContact CG1-CG 4.09Å
412	K	89.9	Confident	89.9	Confident	32 Å²	32	34.9 Å²	34.9	14%	0.139	16%	0.163	C	C	.	.	H	α-helix	trans	-56.4	-44.8	176.3	-66.8	174.4	-166.6	178.1	0	111.8	D408 E409 W414 L415 E416 F701 S704	D408-K412 WeakPolarHBondContact O-CG 3.47Å; D408-K412 PolarHBondContact O-N 2.85Å; E409-K412 PolarHBondContact O-N 3.2Å; E409-K412 WeakPolarHBondContact OE1-CD 3.24Å; E409-K412 WeakPolarHBondContact OE1-CE 3.47Å; E409-K412 IonicContact OE1-NZ 2.63Å; E409-K412 PolarHBondContact OE1-NZ 3.02Å; K412-W414 PolarHBondContact O-N 3.31Å; K412-L415 PolarHBondContact O-N 2.75Å; K412-E416 PolarHBondContact O-N 2.77Å; K412-F701 HydrophobicContact CD-CZ 4.27Å; K412-F701 VanDerWaalsContact CE-CE2 3.41Å; K412-F701 VanDerWaalsContact CE-CZ 3.49Å; K412-F701 HydrophobicContact CG-CD1 4.44Å; K412-F701 HydrophobicContact CG-CE1 3.71Å; K412-F701 HydrophobicContact CG-CZ 3.78Å; K412-S704 WeakPolarHBondContact CE-OG 3.34Å; K412-S704 PolarHBondContact NZ-OG 3.07Å
413	L	91.8	Very high	89.5	Confident	7 Å²	7	30.7 Å²	30.7	4%	0.037	14%	0.141	C	C	.	.	H	α-helix	trans	-57.7	-46.4	175.7	176.6	63.8	0	0	0	112.1	E409 S410 V411 E416 A417 F510 A737 I738 L741	E409-L413 PolarHBondContact O-N 3.02Å; S410-L413 PolarHBondContact O-N 2.95Å; V411-L413 VanDerWaalsContact C-N 3.31Å; V411-L413 PolarHBondContact O-N 3.48Å; L413-E416 PolarHBondContact O-N 3.43Å; L413-A417 VanDerWaalsContact O-CB 3.28Å; L413-A417 WeakPolarHBondContact O-CB 3.1Å; L413-A417 PolarHBondContact O-N 2.82Å; L413-F510 HydrophobicContact CD1-CE1 4.28Å; L413-F510 HydrophobicContact CD1-CE2 4.4Å; L413-F510 HydrophobicContact CD1-CZ 3.8Å; L413-F510 HydrophobicContact CD2-CD1 4.49Å; L413-F510 HydrophobicContact CD2-CD2 4.23Å; L413-F510 HydrophobicContact CD2-CE1 4.23Å; L413-F510 HydrophobicContact CD2-CE2 3.97Å; L413-F510 HydrophobicContact CD2-CG 4.49Å; L413-F510 HydrophobicContact CD2-CZ 3.96Å; L413-F510 HydrophobicContact CG-CE1 4.42Å; L413-F510 HydrophobicContact CG-CE2 3.84Å; L413-F510 HydrophobicContact CG-CZ 3.75Å; L413-A737 HydrophobicContact CD1-CB 3.56Å; L413-I738 HydrophobicContact CD2-CB 4.26Å; L413-I738 HydrophobicContact CD2-CD1 3.51Å; L413-I738 HydrophobicContact CD2-CG1 4.48Å; L413-L741 HydrophobicContact CB-CD2 4.19Å; L413-L741 HydrophobicContact CD2-CD2 3.53Å; L413-L741 HydrophobicContact CG-CD2 4.5Å
414	W	93	Very high	89	Confident	6 Å²	6	29.7 Å²	29.7	2%	0.023	14%	0.137	C	C	.	.	H	α-helix	trans	-69.4	-33.7	-178.7	-85.1	97.5	0	0	0	113.4	S410 V411 K412 R418 F442 A445 H446 F449 F450 F510 L513	S410-W414 VanDerWaalsContact O-CD1 3.27Å; S410-W414 PolarHBondContact O-N 2.99Å; S410-W414 VanDerWaalsContact O-N 3.11Å; V411-W414 PolarHBondContact O-N 3.25Å; V411-W414 VanDerWaalsContact O-N 3.13Å; K412-W414 PolarHBondContact O-N 3.31Å; W414-R418 PolarHBondContact O-N 2.72Å; W414-F442 HydrophobicContact CE3-CE1 4.21Å; W414-F442 HydrophobicContact CE3-CE2 4.09Å; W414-F442 AromaticContact CE3-CZ 3.71Å; W414-F442 HydrophobicContact CE3-CZ 3.71Å; W414-F442 HydrophobicContact CZ3-CD2 4.31Å; W414-F442 HydrophobicContact CZ3-CE1 4.27Å; W414-F442 AromaticContact CZ3-CE2 3.93Å; W414-F442 HydrophobicContact CZ3-CE2 3.93Å; W414-F442 AromaticContact CZ3-CZ 3.9Å; W414-F442 HydrophobicContact CZ3-CZ 3.9Å; W414-A445 HydrophobicContact CH2-CB 3.95Å; W414-H446 HydrophobicContact CD2-CB 4.36Å; W414-H446 AromaticContact CD2-CD2 3.86Å; W414-H446 HydrophobicContact CE3-CB 3.81Å; W414-H446 AromaticContact CE3-CD2 3.65Å; W414-H446 HydrophobicContact CH2-CB 3.91Å; W414-H446 HydrophobicContact CZ2-CB 4.42Å; W414-H446 HydrophobicContact CZ3-CB 3.56Å; W414-F449 AromaticContact CD1-CD1 3.85Å; W414-F449 AromaticContact CD1-CE1 3.88Å; W414-F449 AromaticContact CE2-CD1 4Å; W414-F449 AromaticContact CE2-CG 3.71Å; W414-F449 HydrophobicContact CZ2-CB 3.53Å; W414-F449 HydrophobicContact CZ2-CD1 4.45Å; W414-F449 AromaticContact CZ2-CD2 3.89Å; W414-F449 HydrophobicContact CZ2-CD2 3.89Å; W414-F449 AromaticContact CZ2-CG 3.72Å; W414-F449 HydrophobicContact CZ2-CG 3.72Å; W414-F449 AromaticContact NE1-CD1 3.08Å; W414-F449 AromaticContact NE1-CD2 3.52Å; W414-F449 AromaticContact NE1-CE1 3.38Å; W414-F449 AromaticContact NE1-CE2 3.77Å; W414-F449 AromaticContact NE1-CG 3.18Å; W414-F449 AromaticContact NE1-CZ 3.72Å; W414-F450 HydrophobicContact CB-CE2 4.2Å; W414-F450 HydrophobicContact CB-CZ 4.29Å; W414-F450 AromaticContact CD1-CE2 3.53Å; W414-F450 AromaticContact CD1-CZ 3.59Å; W414-F450 HydrophobicContact CD2-CE2 4.33Å; W414-F450 AromaticContact CG-CE2 3.76Å; W414-F450 HydrophobicContact CG-CE2 3.76Å; W414-F450 HydrophobicContact CG-CZ 4.06Å; W414-F450 AromaticContact NE1-CE2 3.98Å; W414-F510 HydrophobicContact CD2-CD2 4.21Å; W414-F510 HydrophobicContact CD2-CE2 4.17Å; W414-F510 AromaticContact CE2-CD2 3.68Å; W414-F510 HydrophobicContact CE3-CE2 4.43Å; W414-F510 HydrophobicContact CH2-CD2 4.03Å; W414-F510 AromaticContact CZ2-CD2 3.59Å; W414-F510 HydrophobicContact CZ2-CD2 3.59Å; W414-F510 HydrophobicContact CZ2-CE2 4.32Å; W414-L513 HydrophobicContact CH2-CD2 3.85Å; W414-L513 HydrophobicContact CZ3-CD2 3.89Å
415	L	87.4	Confident	88.5	Confident	27 Å²	27	27.8 Å²	27.8	14%	0.141	13%	0.127	C	C	.	.	H	α-helix	trans	-65.7	-44.6	173.8	-68.6	171.3	0	0	0	111.1	V411 K412 R418 R419 L702	V411-L415 HydrophobicContact CG1-CD1 3.75Å; V411-L415 HydrophobicContact CG1-CG 4.2Å; V411-L415 VanDerWaalsContact O-CG 3.3Å; V411-L415 WeakPolarHBondContact O-CG 3.44Å; V411-L415 PolarHBondContact O-N 2.7Å; K412-L415 PolarHBondContact O-N 2.75Å; L415-R418 WeakPolarHBondContact O-CB 3.47Å; L415-R418 PolarHBondContact O-N 3.12Å; L415-R419 PolarHBondContact O-N 3.21Å; L415-L702 HydrophobicContact CD1-CD2 3.65Å
416	E	85.8	Confident	87.9	Confident	30 Å²	30	25 Å²	25	14%	0.14	13%	0.129	C	C	.	.	H	α-helix	trans	-67.2	-42.9	175.7	-179	54	-157.8	0	0	111.5	K412 L413 R418 R419 Q420 L709	K412-E416 PolarHBondContact O-N 2.77Å; L413-E416 PolarHBondContact O-N 3.43Å; E416-R418 PolarHBondContact O-N 3.4Å; E416-R419 WeakPolarHBondContact O-CB 3.36Å; E416-R419 PolarHBondContact O-N 3.25Å; E416-R419 IonicContact OE1-CZ 3.31Å; E416-R419 IonicContact OE1-NE 3.18Å; E416-R419 PolarHBondContact OE1-NE 3.48Å; E416-R419 IonicContact OE1-NH2 3.43Å; E416-R419 PolarHBondContact OE1-NH2 3.26Å; E416-R419 IonicContact OE2-CZ 3.87Å; E416-R419 IonicContact OE2-NE 3.22Å; E416-R419 PolarHBondContact OE2-NE 2.89Å; E416-R419 IonicContact OE2-NH2 3.73Å; E416-Q420 HydrophobicContact CG-CG 4.39Å; E416-Q420 WeakPolarHBondContact O-CG 3.49Å; E416-Q420 PolarHBondContact O-N 3.44Å; E416-Q420 WeakPolarHBondContact OE1-CG 3.47Å; E416-Q420 PolarHBondContact OE1-NE2 3.17Å; E416-L709 HydrophobicContact CG-CD1 4.2Å; E416-L709 WeakPolarHBondContact OE1-CD1 3.32Å
417	A	89.8	Confident	87.2	Confident	0 Å²	0	28.1 Å²	28.1	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-54.6	-43.6	174.2	0	0	0	0	0	111.2	L413 R419 Q420 F421 F442 F510 L734	L413-A417 VanDerWaalsContact O-CB 3.28Å; L413-A417 WeakPolarHBondContact O-CB 3.1Å; L413-A417 PolarHBondContact O-N 2.82Å; A417-R419 PolarHBondContact O-N 3.34Å; A417-Q420 PolarHBondContact O-N 3.38Å; A417-F421 VanDerWaalsContact O-CD2 3.27Å; A417-F421 WeakPolarHBondContact O-CD2 3.49Å; A417-F421 PolarHBondContact O-N 2.98Å; A417-F442 HydrophobicContact CB-CE2 4.27Å; A417-F510 HydrophobicContact CB-CE2 3.77Å; A417-F510 HydrophobicContact CB-CZ 3.71Å; A417-L734 HydrophobicContact CB-CD2 4.22Å
418	R	87.7	Confident	86.5	Confident	21 Å²	21	30.6 Å²	30.6	8%	0.079	16%	0.158	C	C	.	.	H	α-helix	trans	-59.8	-46.1	176.1	-177.5	176	171.3	-109.8	6.9	112.3	W414 L415 E416 Q420 F421 Q422 W439 F442 E937 G938	W414-R418 PolarHBondContact O-N 2.72Å; L415-R418 WeakPolarHBondContact O-CB 3.47Å; L415-R418 PolarHBondContact O-N 3.12Å; E416-R418 PolarHBondContact O-N 3.4Å; R418-Q420 VanDerWaalsContact C-N 3.29Å; R418-Q420 PolarHBondContact O-N 3.03Å; R418-F421 PolarHBondContact O-N 2.93Å; R418-Q422 WeakPolarHBondContact O-CG 3.49Å; R418-Q422 PolarHBondContact O-N 3.2Å; R418-W439 HydrophobicContact CG-CH2 3.76Å; R418-W439 HydrophobicContact CG-CZ3 3.96Å; R418-F442 HydrophobicContact CB-CE1 4.36Å; R418-F442 HydrophobicContact CB-CZ 3.8Å; R418-F442 HydrophobicContact CG-CZ 4.44Å; R418-E937 PolarHBondContact NH1-O 2.85Å; R418-E937 PolarHBondContact NH2-O 3.47Å; R418-G938 WeakPolarHBondContact CD-O 3.16Å
419	R	84.5	Confident	85.5	Confident	109 Å²	109	34 Å²	34	41%	0.411	19%	0.185	S	C	.	.	H	α-helix	trans	-59.5	-42.4	177.8	-167.2	-173.2	72.8	86.3	-4.2	111.2	L415 E416 A417 Q422 L423	L415-R419 PolarHBondContact O-N 3.21Å; E416-R419 WeakPolarHBondContact O-CB 3.36Å; E416-R419 PolarHBondContact O-N 3.25Å; E416-R419 IonicContact OE1-CZ 3.31Å; E416-R419 IonicContact OE1-NE 3.18Å; E416-R419 PolarHBondContact OE1-NE 3.48Å; E416-R419 IonicContact OE1-NH2 3.43Å; E416-R419 PolarHBondContact OE1-NH2 3.26Å; E416-R419 IonicContact OE2-CZ 3.87Å; E416-R419 IonicContact OE2-NE 3.22Å; E416-R419 PolarHBondContact OE2-NE 2.89Å; E416-R419 IonicContact OE2-NH2 3.73Å; A417-R419 PolarHBondContact O-N 3.34Å; R419-Q422 WeakPolarHBondContact O-CB 3.31Å; R419-Q422 PolarHBondContact O-N 2.74Å; R419-L423 PolarHBondContact O-N 2.84Å; R419-L423 VanDerWaalsContact O-N 3.09Å
420	Q	85.6	Confident	84.2	Confident	2 Å²	2	32.1 Å²	32.1	1%	0.009	18%	0.176	C	C	.	.	H	α-helix	trans	-67.8	-40.2	177.6	-67.9	-60.7	-8.1	0	0	113	E416 A417 R418 Q422 L423 V424 V730 L734	E416-Q420 HydrophobicContact CG-CG 4.39Å; E416-Q420 WeakPolarHBondContact O-CG 3.49Å; E416-Q420 PolarHBondContact O-N 3.44Å; E416-Q420 WeakPolarHBondContact OE1-CG 3.47Å; E416-Q420 PolarHBondContact OE1-NE2 3.17Å; A417-Q420 PolarHBondContact O-N 3.38Å; R418-Q420 VanDerWaalsContact C-N 3.29Å; R418-Q420 PolarHBondContact O-N 3.03Å; Q420-Q422 VanDerWaalsContact C-N 3.33Å; Q420-Q422 PolarHBondContact O-N 3.07Å; Q420-L423 PolarHBondContact O-N 3.4Å; Q420-V424 PolarHBondContact O-N 2.99Å; Q420-V730 HydrophobicContact CB-CG1 3.58Å; Q420-V730 HydrophobicContact CG-CG1 3.84Å; Q420-V730 VanDerWaalsContact OE1-CG1 3.22Å; Q420-L734 HydrophobicContact CB-CD1 3.95Å; Q420-L734 HydrophobicContact CG-CD1 4.41Å; Q420-L734 HydrophobicContact CG-CD2 4.24Å; Q420-L734 HydrophobicContact CG-CG 4.49Å
421	F	87.5	Confident	83.4	Confident	3 Å²	3	37.4 Å²	37.4	1%	0.013	20%	0.204	C	C	.	.	H	α-helix	trans	-59.9	-42.4	171.6	-96.3	-99.1	0	0	0	111.6	A417 R418 L423 V424 I425 W439 F442 L513 I514 H517 F518	A417-F421 VanDerWaalsContact O-CD2 3.27Å; A417-F421 WeakPolarHBondContact O-CD2 3.49Å; A417-F421 PolarHBondContact O-N 2.98Å; R418-F421 PolarHBondContact O-N 2.93Å; F421-L423 VanDerWaalsContact C-N 3.34Å; F421-L423 PolarHBondContact O-N 2.88Å; F421-V424 PolarHBondContact O-N 2.83Å; F421-I425 VanDerWaalsContact O-CB 3.27Å; F421-I425 WeakPolarHBondContact O-CB 3.42Å; F421-I425 WeakPolarHBondContact O-CD1 3.41Å; F421-I425 WeakPolarHBondContact O-CG1 3.42Å; F421-I425 PolarHBondContact O-N 2.62Å; F421-W439 HydrophobicContact CB-CH2 4.04Å; F421-F442 HydrophobicContact CD1-CD2 4.1Å; F421-F442 AromaticContact CD2-CD2 3.71Å; F421-F442 HydrophobicContact CD2-CD2 3.71Å; F421-F442 AromaticContact CD2-CE2 3.73Å; F421-F442 HydrophobicContact CD2-CE2 3.73Å; F421-F442 HydrophobicContact CE1-CD2 4.14Å; F421-F442 AromaticContact CE2-CD2 3.71Å; F421-F442 HydrophobicContact CE2-CD2 3.71Å; F421-F442 AromaticContact CE2-CE2 3.97Å; F421-F442 HydrophobicContact CE2-CE2 3.97Å; F421-F442 AromaticContact CG-CD2 3.89Å; F421-F442 HydrophobicContact CG-CD2 3.89Å; F421-F442 HydrophobicContact CG-CE2 4.17Å; F421-F442 AromaticContact CZ-CD2 3.96Å; F421-F442 HydrophobicContact CZ-CD2 3.96Å; F421-L513 HydrophobicContact CE2-CD2 4.18Å; F421-L513 HydrophobicContact CE2-CG 4.39Å; F421-L513 HydrophobicContact CZ-CD1 4.26Å; F421-L513 HydrophobicContact CZ-CD2 4.06Å; F421-L513 HydrophobicContact CZ-CG 3.86Å; F421-I514 HydrophobicContact CE2-CD1 3.73Å; F421-I514 HydrophobicContact CZ-CD1 4.37Å; F421-H517 HydrophobicContact CE1-CB 3.93Å; F421-H517 HydrophobicContact CZ-CB 4.12Å; F421-F518 AromaticContact CD2-CE2 3.9Å; F421-F518 HydrophobicContact CD2-CE2 3.9Å; F421-F518 AromaticContact CD2-CZ 3.91Å; F421-F518 HydrophobicContact CD2-CZ 3.91Å; F421-F518 HydrophobicContact CE1-CE2 4.21Å; F421-F518 AromaticContact CE2-CE2 3.46Å; F421-F518 HydrophobicContact CE2-CE2 3.46Å; F421-F518 VanDerWaalsContact CE2-CE2 3.46Å; F421-F518 AromaticContact CE2-CZ 3.95Å; F421-F518 HydrophobicContact CE2-CZ 3.95Å; F421-F518 HydrophobicContact CG-CE2 4.48Å; F421-F518 HydrophobicContact CG-CZ 4.39Å; F421-F518 HydrophobicContact CZ-CD2 4.49Å; F421-F518 AromaticContact CZ-CE2 3.61Å; F421-F518 HydrophobicContact CZ-CE2 3.61Å; F421-F518 HydrophobicContact CZ-CZ 4.4Å
422	Q	83.6	Confident	82.6	Confident	85 Å²	85	45.5 Å²	45.5	40%	0.397	24%	0.24	S	C	.	.	H	α-helix	trans	-60.6	-43.1	175.6	-73.3	172.7	-29.6	0	0	111.9	R418 R419 Q420 G426 W439	R418-Q422 WeakPolarHBondContact O-CG 3.49Å; R418-Q422 PolarHBondContact O-N 3.2Å; R419-Q422 WeakPolarHBondContact O-CB 3.31Å; R419-Q422 PolarHBondContact O-N 2.74Å; Q420-Q422 VanDerWaalsContact C-N 3.33Å; Q420-Q422 PolarHBondContact O-N 3.07Å; Q422-G426 PolarHBondContact O-N 3.28Å; Q422-G426 VanDerWaalsContact O-N 3.08Å; Q422-W439 HydrophobicContact CG-CH2 3.94Å; Q422-W439 HydrophobicContact CG-CZ2 3.72Å
423	L	81.8	Confident	81.9	Confident	47 Å²	47	49 Å²	49	25%	0.246	26%	0.259	C	S	.	.	H	α-helix	trans	-63.6	-48.5	177.4	179.2	141.1	0	0	0	111.9	R419 Q420 F421 I425 G426 I427 Q726 V730	R419-L423 PolarHBondContact O-N 2.84Å; R419-L423 VanDerWaalsContact O-N 3.09Å; Q420-L423 PolarHBondContact O-N 3.4Å; F421-L423 VanDerWaalsContact C-N 3.34Å; F421-L423 PolarHBondContact O-N 2.88Å; L423-I425 PolarHBondContact O-N 3.41Å; L423-G426 PolarHBondContact O-N 2.66Å; L423-G426 VanDerWaalsContact O-N 3.14Å; L423-I427 HydrophobicContact CD2-CD1 3.5Å; L423-I427 HydrophobicContact CG-CD1 4.14Å; L423-I427 WeakPolarHBondContact O-CG1 3.17Å; L423-I427 PolarHBondContact O-N 2.61Å; L423-Q726 HydrophobicContact CD2-CG 4.32Å; L423-V730 HydrophobicContact CD2-CG2 4.12Å
424	V	82.1	Confident	81.1	Confident	6 Å²	6	51.9 Å²	51.9	4%	0.036	27%	0.273	C	S	.	.	H	α-helix	trans	-66.8	-37.5	179.8	168.6	0	0	0	0	112.3	Q420 F421 G426 I427 L428 F518 V727 V730	Q420-V424 PolarHBondContact O-N 2.99Å; F421-V424 PolarHBondContact O-N 2.83Å; V424-G426 VanDerWaalsContact C-N 3.26Å; V424-G426 PolarHBondContact O-N 3.28Å; V424-I427 PolarHBondContact O-N 3.07Å; V424-L428 HydrophobicContact CG1-CD1 3.59Å; V424-L428 HydrophobicContact CG1-CG 4.04Å; V424-L428 WeakPolarHBondContact O-CB 3.4Å; V424-L428 WeakPolarHBondContact O-CG 3.28Å; V424-L428 PolarHBondContact O-N 3.23Å; V424-F518 HydrophobicContact CB-CE1 4.04Å; V424-F518 HydrophobicContact CG1-CD1 4.4Å; V424-F518 HydrophobicContact CG1-CE1 4.25Å; V424-F518 HydrophobicContact CG2-CD1 3.97Å; V424-F518 HydrophobicContact CG2-CE1 3.42Å; V424-F518 VanDerWaalsContact CG2-CE1 3.42Å; V424-F518 HydrophobicContact CG2-CZ 4.3Å; V424-V727 HydrophobicContact CG1-CG1 4.02Å; V424-V727 HydrophobicContact CG1-CG2 4.22Å; V424-V727 HydrophobicContact CG2-CG1 4.3Å; V424-V727 HydrophobicContact CG2-CG2 4.25Å; V424-V730 HydrophobicContact CG2-CB 4.45Å; V424-V730 HydrophobicContact CG2-CG1 4.28Å
425	I	82	Confident	80.5	Confident	16 Å²	16	56.8 Å²	56.8	8%	0.082	29%	0.291	C	S	.	.	H	α-helix	trans	-60.2	-39.7	172.5	-74.5	169.4	0	0	0	111.2	F421 L423 S429 R435 M438 W439	F421-I425 VanDerWaalsContact O-CB 3.27Å; F421-I425 WeakPolarHBondContact O-CB 3.42Å; F421-I425 WeakPolarHBondContact O-CD1 3.41Å; F421-I425 WeakPolarHBondContact O-CG1 3.42Å; F421-I425 PolarHBondContact O-N 2.62Å; L423-I425 PolarHBondContact O-N 3.41Å; I425-S429 PolarHBondContact O-N 3.4Å; I425-R435 VanDerWaalsContact CG2-CD 3.42Å; I425-R435 HydrophobicContact CG2-CG 3.54Å; I425-M438 HydrophobicContact CD1-CE 4.29Å; I425-M438 HydrophobicContact CG1-CE 3.69Å; I425-M438 HydrophobicContact CG1-SD 4.33Å; I425-W439 HydrophobicContact CD1-CZ2 3.93Å
426	G	78.3	Confident	80	Confident	55 Å²	55	61.3 Å²	61.3	57%	0.567	31%	0.31	S	S	*	.	H	α-helix	trans	-63.4	-40.9	175	0	0	0	0	0	112.7	Q422 L423 V424	Q422-G426 PolarHBondContact O-N 3.28Å; Q422-G426 VanDerWaalsContact O-N 3.08Å; L423-G426 PolarHBondContact O-N 2.66Å; L423-G426 VanDerWaalsContact O-N 3.14Å; V424-G426 VanDerWaalsContact C-N 3.26Å; V424-G426 PolarHBondContact O-N 3.28Å
427	I	78.7	Confident	79.7	Confident	72 Å²	72	62.2 Å²	62.2	37%	0.369	32%	0.323	S	S	.	.	H	α-helix	trans	-71.7	-47	-179.9	-65	164.7	0	0	0	111.8	L423 V424 S429 Q726 V727	L423-I427 HydrophobicContact CD2-CD1 3.5Å; L423-I427 HydrophobicContact CG-CD1 4.14Å; L423-I427 WeakPolarHBondContact O-CG1 3.17Å; L423-I427 PolarHBondContact O-N 2.61Å; V424-I427 PolarHBondContact O-N 3.07Å; I427-S429 PolarHBondContact O-N 2.99Å; I427-S429 VanDerWaalsContact O-N 3.12Å; I427-Q726 HydrophobicContact CD1-CB 4.16Å; I427-Q726 VanDerWaalsContact CD1-CD 3.47Å; I427-Q726 HydrophobicContact CD1-CG 3.9Å; I427-Q726 VanDerWaalsContact CD1-OE1 3.3Å; I427-V727 HydrophobicContact CG2-CG2 4.14Å
428	L	78	Confident	79.4	Confident	53 Å²	53	62.9 Å²	62.9	28%	0.277	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-7.7	-177.8	-69.5	175.2	0	0	0	113.3	V424 A430 M528	V424-L428 HydrophobicContact CG1-CD1 3.59Å; V424-L428 HydrophobicContact CG1-CG 4.04Å; V424-L428 WeakPolarHBondContact O-CB 3.4Å; V424-L428 WeakPolarHBondContact O-CG 3.28Å; V424-L428 PolarHBondContact O-N 3.23Å; L428-A430 PolarHBondContact O-N 3.46Å; L428-M528 HydrophobicContact CD1-CE 4.44Å
429	S	70.2	Confident	79.4	Confident	101 Å²	101	64.5 Å²	64.5	71%	0.706	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.8	40	-175.9	-61.2	0	0	0	0	112.5	I425 I427	I425-S429 PolarHBondContact O-N 3.4Å; I427-S429 PolarHBondContact O-N 2.99Å; I427-S429 VanDerWaalsContact O-N 3.12Å
430	A	65.5	Low	79.4	Confident	3 Å²	3	61.4 Å²	61.4	3%	0.025	33%	0.334	C	S	.	.			trans	-63	136.3	-171.1	0	0	0	0	0	112.8	L428 Q434 R435 M438	L428-A430 PolarHBondContact O-N 3.46Å; A430-Q434 HydrophobicContact CB-CB 4.14Å; A430-R435 HydrophobicContact CB-CG 3.87Å; A430-R435 PolarHBondContact O-NE 3.07Å; A430-M438 HydrophobicContact CB-CE 3.61Å
431	D	75.3	Confident	79.4	Confident	110 Å²	110	64.4 Å²	64.4	59%	0.588	35%	0.348	S	S	*	.			trans	-57.3	157.3	176.8	-81.3	-25.3	0	0	0	111.9	N433 Q434 R435	D431-N433 PolarHBondContact O-N 2.85Å; D431-N433 VanDerWaalsContact O-N 3.16Å; D431-Q434 HydrophobicContact CB-CB 4.5Å; D431-Q434 HydrophobicContact CB-CG 4.3Å; D431-Q434 PolarHBondContact O-N 3.25Å; D431-Q434 VanDerWaalsContact O-N 3.08Å; D431-R435 PolarHBondContact O-N 3.43Å
432	K	76.1	Confident	79.6	Confident	171 Å²	171	64.3 Å²	64.3	74%	0.743	35%	0.348	S	S	*	.	H	α-helix	trans	-51	-41.7	177.4	-73.7	-176.1	178.9	178.4	0	112.1	K436	K432-K436 WeakPolarHBondContact O-CB 3.5Å; K432-K436 PolarHBondContact O-N 3.01Å
433	N	75.2	Confident	79.9	Confident	104 Å²	104	61.5 Å²	61.5	56%	0.556	33%	0.333	S	S	*	.	H	α-helix	trans	-68.3	-42.3	179.1	-72.6	-22.2	0	0	0	112.9	D431 K436 A437	D431-N433 PolarHBondContact O-N 2.85Å; D431-N433 VanDerWaalsContact O-N 3.16Å; N433-K436 PolarHBondContact O-N 3.29Å; N433-A437 WeakPolarHBondContact O-CB 3.3Å; N433-A437 PolarHBondContact O-N 2.9Å
434	Q	75.9	Confident	80	Confident	69 Å²	69	61.1 Å²	61.1	32%	0.322	34%	0.337	S	S	.	.	H	α-helix	trans	-64.9	-44.5	176.6	-69.3	178.1	-14	0	0	111	A430 D431 K436 A437 M438	A430-Q434 HydrophobicContact CB-CB 4.14Å; D431-Q434 HydrophobicContact CB-CB 4.5Å; D431-Q434 HydrophobicContact CB-CG 4.3Å; D431-Q434 PolarHBondContact O-N 3.25Å; D431-Q434 VanDerWaalsContact O-N 3.08Å; Q434-K436 PolarHBondContact O-N 3.43Å; Q434-A437 PolarHBondContact O-N 3.13Å; Q434-M438 WeakPolarHBondContact O-CG 3.42Å; Q434-M438 PolarHBondContact O-N 2.67Å
435	R	78.8	Confident	80.4	Confident	108 Å²	108	61 Å²	61	41%	0.408	34%	0.336	S	S	.	.	H	α-helix	trans	-57.2	-47.4	174.7	-76.3	-172.4	-84.5	176.1	-7.2	112.2	I425 A430 D431 A437 M438 W439	I425-R435 VanDerWaalsContact CG2-CD 3.42Å; I425-R435 HydrophobicContact CG2-CG 3.54Å; A430-R435 HydrophobicContact CB-CG 3.87Å; A430-R435 PolarHBondContact O-NE 3.07Å; D431-R435 PolarHBondContact O-N 3.43Å; R435-A437 VanDerWaalsContact C-N 3.33Å; R435-A437 PolarHBondContact O-N 3.34Å; R435-M438 PolarHBondContact O-N 3.19Å; R435-W439 VanDerWaalsContact O-CD1 3.23Å; R435-W439 PolarHBondContact O-N 2.94Å
436	K	78	Confident	80.8	Confident	122 Å²	122	60.4 Å²	60.4	53%	0.53	33%	0.334	S	S	.	.	H	α-helix	trans	-61.1	-42.2	177.9	-168.9	176.5	-178	179.3	0	111.7	K432 N433 Q434 G440	K432-K436 WeakPolarHBondContact O-CB 3.5Å; K432-K436 PolarHBondContact O-N 3.01Å; N433-K436 PolarHBondContact O-N 3.29Å; Q434-K436 PolarHBondContact O-N 3.43Å; K436-G440 PolarHBondContact O-N 3.27Å
437	A	80.1	Confident	81.1	Confident	50 Å²	50	60.9 Å²	60.9	41%	0.413	32%	0.321	S	S	.	.	H	α-helix	trans	-66.7	-40.5	177.2	0	0	0	0	0	113	N433 Q434 R435 Q441	N433-A437 WeakPolarHBondContact O-CB 3.3Å; N433-A437 PolarHBondContact O-N 2.9Å; Q434-A437 PolarHBondContact O-N 3.13Å; R435-A437 VanDerWaalsContact C-N 3.33Å; R435-A437 PolarHBondContact O-N 3.34Å; A437-Q441 WeakPolarHBondContact O-CG 3.49Å; A437-Q441 PolarHBondContact O-N 3.24Å; A437-Q441 VanDerWaalsContact O-N 3.12Å
438	M	83.3	Confident	81.4	Confident	14 Å²	14	61.9 Å²	61.9	7%	0.069	32%	0.32	C	S	.	.	H	α-helix	trans	-63.6	-49.3	175.5	-73.2	-164.9	-81.9	0	0	111.4	I425 A430 Q434 R435 G440 Q441 F442	I425-M438 HydrophobicContact CD1-CE 4.29Å; I425-M438 HydrophobicContact CG1-CE 3.69Å; I425-M438 HydrophobicContact CG1-SD 4.33Å; A430-M438 HydrophobicContact CB-CE 3.61Å; Q434-M438 WeakPolarHBondContact O-CG 3.42Å; Q434-M438 PolarHBondContact O-N 2.67Å; R435-M438 PolarHBondContact O-N 3.19Å; M438-G440 VanDerWaalsContact C-N 3.34Å; M438-G440 PolarHBondContact O-N 3.02Å; M438-Q441 PolarHBondContact O-N 3.09Å; M438-F442 WeakPolarHBondContact O-CB 3.46Å; M438-F442 PolarHBondContact O-N 3.27Å
439	W	86.5	Confident	82.1	Confident	55 Å²	55	59.3 Å²	59.3	21%	0.208	31%	0.307	C	S	.	.	H	α-helix	trans	-63.1	-39.3	177.2	-77.7	118.5	0	0	0	112.5	R418 F421 Q422 I425 R435 Q441 F442 W443	R418-W439 HydrophobicContact CG-CH2 3.76Å; R418-W439 HydrophobicContact CG-CZ3 3.96Å; F421-W439 HydrophobicContact CB-CH2 4.04Å; Q422-W439 HydrophobicContact CG-CH2 3.94Å; Q422-W439 HydrophobicContact CG-CZ2 3.72Å; I425-W439 HydrophobicContact CD1-CZ2 3.93Å; R435-W439 VanDerWaalsContact O-CD1 3.23Å; R435-W439 PolarHBondContact O-N 2.94Å; W439-Q441 VanDerWaalsContact C-N 3.31Å; W439-Q441 PolarHBondContact O-N 3.33Å; W439-F442 HydrophobicContact CE3-CB 4.16Å; W439-F442 AromaticContact CE3-CD1 3.88Å; W439-F442 HydrophobicContact CE3-CD1 3.88Å; W439-F442 HydrophobicContact CE3-CG 4.05Å; W439-F442 AromaticContact CZ3-CD1 3.73Å; W439-F442 HydrophobicContact CZ3-CD1 3.73Å; W439-F442 HydrophobicContact CZ3-CD2 4.41Å; W439-F442 HydrophobicContact CZ3-CE1 4Å; W439-F442 AromaticContact CZ3-CG 3.98Å; W439-F442 HydrophobicContact CZ3-CG 3.98Å; W439-F442 HydrophobicContact CZ3-CZ 4.46Å; W439-F442 PolarHBondContact O-N 3.33Å; W439-W443 HydrophobicContact CE3-CZ2 4.42Å; W439-W443 AromaticContact CE3-NE1 3.86Å; W439-W443 HydrophobicContact CZ3-CZ2 4.43Å; W439-W443 WeakPolarHBondContact O-CB 3.43Å; W439-W443 VanDerWaalsContact O-CG 3.31Å; W439-W443 PolarHBondContact O-N 3.43Å
440	G	84.1	Confident	83	Confident	43 Å²	43	54.5 Å²	54.5	44%	0.443	27%	0.273	S	S	.	.	H	α-helix	trans	-57.4	-43.2	173.8	0	0	0	0	0	112.7	K436 M438 A444	K436-G440 PolarHBondContact O-N 3.27Å; M438-G440 VanDerWaalsContact C-N 3.34Å; M438-G440 PolarHBondContact O-N 3.02Å; G440-A444 WeakPolarHBondContact O-CB 3.12Å; G440-A444 PolarHBondContact O-N 3.34Å
441	Q	85.7	Confident	83.9	Confident	66 Å²	66	56.9 Å²	56.9	31%	0.308	28%	0.283	S	S	.	.	H	α-helix	trans	-72.1	-42.8	177.8	-72.6	178.7	66.2	0	0	112.9	A437 M438 W439 W443 A444 A445 K516 H517	A437-Q441 WeakPolarHBondContact O-CG 3.49Å; A437-Q441 PolarHBondContact O-N 3.24Å; A437-Q441 VanDerWaalsContact O-N 3.12Å; M438-Q441 PolarHBondContact O-N 3.09Å; W439-Q441 VanDerWaalsContact C-N 3.31Å; W439-Q441 PolarHBondContact O-N 3.33Å; Q441-W443 VanDerWaalsContact C-N 3.29Å; Q441-W443 PolarHBondContact O-N 3.37Å; Q441-A444 PolarHBondContact O-N 2.71Å; Q441-A445 WeakPolarHBondContact O-CB 3.34Å; Q441-A445 PolarHBondContact O-N 2.95Å; Q441-K516 VanDerWaalsContact OE1-CE 3.27Å; Q441-H517 PolarHBondContact OE1-NE2 2.86Å
442	F	91.5	Very high	84.5	Confident	1 Å²	1	52.5 Å²	52.5	0%	0.004	26%	0.258	C	S	.	.	H	α-helix	trans	-53.1	-50.7	173.9	179.3	-87.5	0	0	0	110.6	W414 A417 R418 F421 M438 W439 A444 A445 H446 L513	W414-F442 HydrophobicContact CE3-CE1 4.21Å; W414-F442 HydrophobicContact CE3-CE2 4.09Å; W414-F442 AromaticContact CE3-CZ 3.71Å; W414-F442 HydrophobicContact CE3-CZ 3.71Å; W414-F442 HydrophobicContact CZ3-CD2 4.31Å; W414-F442 HydrophobicContact CZ3-CE1 4.27Å; W414-F442 AromaticContact CZ3-CE2 3.93Å; W414-F442 HydrophobicContact CZ3-CE2 3.93Å; W414-F442 AromaticContact CZ3-CZ 3.9Å; W414-F442 HydrophobicContact CZ3-CZ 3.9Å; A417-F442 HydrophobicContact CB-CE2 4.27Å; R418-F442 HydrophobicContact CB-CE1 4.36Å; R418-F442 HydrophobicContact CB-CZ 3.8Å; R418-F442 HydrophobicContact CG-CZ 4.44Å; F421-F442 HydrophobicContact CD1-CD2 4.1Å; F421-F442 AromaticContact CD2-CD2 3.71Å; F421-F442 HydrophobicContact CD2-CD2 3.71Å; F421-F442 AromaticContact CD2-CE2 3.73Å; F421-F442 HydrophobicContact CD2-CE2 3.73Å; F421-F442 HydrophobicContact CE1-CD2 4.14Å; F421-F442 AromaticContact CE2-CD2 3.71Å; F421-F442 HydrophobicContact CE2-CD2 3.71Å; F421-F442 AromaticContact CE2-CE2 3.97Å; F421-F442 HydrophobicContact CE2-CE2 3.97Å; F421-F442 AromaticContact CG-CD2 3.89Å; F421-F442 HydrophobicContact CG-CD2 3.89Å; F421-F442 HydrophobicContact CG-CE2 4.17Å; F421-F442 AromaticContact CZ-CD2 3.96Å; F421-F442 HydrophobicContact CZ-CD2 3.96Å; M438-F442 WeakPolarHBondContact O-CB 3.46Å; M438-F442 PolarHBondContact O-N 3.27Å; W439-F442 HydrophobicContact CE3-CB 4.16Å; W439-F442 AromaticContact CE3-CD1 3.88Å; W439-F442 HydrophobicContact CE3-CD1 3.88Å; W439-F442 HydrophobicContact CE3-CG 4.05Å; W439-F442 AromaticContact CZ3-CD1 3.73Å; W439-F442 HydrophobicContact CZ3-CD1 3.73Å; W439-F442 HydrophobicContact CZ3-CD2 4.41Å; W439-F442 HydrophobicContact CZ3-CE1 4Å; W439-F442 AromaticContact CZ3-CG 3.98Å; W439-F442 HydrophobicContact CZ3-CG 3.98Å; W439-F442 HydrophobicContact CZ3-CZ 4.46Å; W439-F442 PolarHBondContact O-N 3.33Å; F442-A444 PolarHBondContact O-N 2.81Å; F442-A445 PolarHBondContact O-N 2.77Å; F442-H446 WeakPolarHBondContact O-CB 3.28Å; F442-H446 PolarHBondContact O-N 2.85Å; F442-L513 HydrophobicContact CD2-CD2 3.87Å; F442-L513 HydrophobicContact CE2-CD2 4.42Å
443	W	90	Very high	85.1	Confident	25 Å²	25	44.3 Å²	44.3	10%	0.095	22%	0.223	C	C	.	.	H	α-helix	trans	-69.2	-34.6	-177.8	-78.1	141.5	0	0	0	113.4	W439 Q441 H446 Q447 V939 R965	W439-W443 HydrophobicContact CE3-CZ2 4.42Å; W439-W443 AromaticContact CE3-NE1 3.86Å; W439-W443 HydrophobicContact CZ3-CZ2 4.43Å; W439-W443 WeakPolarHBondContact O-CB 3.43Å; W439-W443 VanDerWaalsContact O-CG 3.31Å; W439-W443 PolarHBondContact O-N 3.43Å; Q441-W443 VanDerWaalsContact C-N 3.29Å; Q441-W443 PolarHBondContact O-N 3.37Å; W443-H446 HydrophobicContact CE3-CB 4.17Å; W443-H446 AromaticContact CZ3-CD2 3.99Å; W443-Q447 WeakPolarHBondContact O-CB 3.07Å; W443-Q447 PolarHBondContact O-N 2.95Å; W443-V939 WeakPolarHBondContact CH2-O 3.42Å; W443-R965 VanDerWaalsContact C-NH2 3.26Å; W443-R965 VanDerWaalsContact CB-CZ 3.47Å; W443-R965 PolarHBondContact O-NH1 3.07Å; W443-R965 VanDerWaalsContact O-NH1 3.08Å; W443-R965 PolarHBondContact O-NH2 3.16Å
444	A	85.1	Confident	85.6	Confident	40 Å²	40	39.6 Å²	39.6	33%	0.331	20%	0.197	S	C	.	.	H	α-helix	trans	-69	-36.7	171.9	0	0	0	0	0	112.6	G440 Q441 F442 R448	G440-A444 WeakPolarHBondContact O-CB 3.12Å; G440-A444 PolarHBondContact O-N 3.34Å; Q441-A444 PolarHBondContact O-N 2.71Å; F442-A444 PolarHBondContact O-N 2.81Å; A444-R448 WeakPolarHBondContact O-CG 3.24Å; A444-R448 PolarHBondContact O-N 2.97Å; A444-R448 PolarHBondContact O-NE 3.08Å
445	A	89.7	Confident	86.1	Confident	2 Å²	2	36.3 Å²	36.3	2%	0.017	18%	0.182	C	C	.	.	H	α-helix	trans	-68.1	-47.5	174	0	0	0	0	0	111.2	W414 Q441 F442 Q447 R448 F449 V509 L513	W414-A445 HydrophobicContact CH2-CB 3.95Å; Q441-A445 WeakPolarHBondContact O-CB 3.34Å; Q441-A445 PolarHBondContact O-N 2.95Å; F442-A445 PolarHBondContact O-N 2.77Å; A445-Q447 VanDerWaalsContact C-N 3.34Å; A445-Q447 PolarHBondContact O-N 2.94Å; A445-R448 PolarHBondContact O-N 3.44Å; A445-R448 VanDerWaalsContact O-N 3.12Å; A445-F449 WeakPolarHBondContact O-CB 3.32Å; A445-F449 PolarHBondContact O-N 3.43Å; A445-V509 HydrophobicContact CB-CG1 3.89Å; A445-V509 WeakPolarHBondContact O-CG1 3.35Å; A445-L513 HydrophobicContact CB-CB 4.24Å; A445-L513 HydrophobicContact CB-CD1 4.01Å; A445-L513 HydrophobicContact CB-CD2 3.92Å; A445-L513 HydrophobicContact CB-CG 4.27Å
446	H	90.9	Very high	86.6	Confident	5 Å²	5	31.7 Å²	31.7	2%	0.023	17%	0.167	C	C	.	.	H	α-helix	trans	-52.9	-49.7	175	175.5	-69.7	0	0	0	111.9	W414 F442 W443 R448 F449 F450 R965 G968	W414-H446 HydrophobicContact CD2-CB 4.36Å; W414-H446 AromaticContact CD2-CD2 3.86Å; W414-H446 HydrophobicContact CE3-CB 3.81Å; W414-H446 AromaticContact CE3-CD2 3.65Å; W414-H446 HydrophobicContact CH2-CB 3.91Å; W414-H446 HydrophobicContact CZ2-CB 4.42Å; W414-H446 HydrophobicContact CZ3-CB 3.56Å; F442-H446 WeakPolarHBondContact O-CB 3.28Å; F442-H446 PolarHBondContact O-N 2.85Å; W443-H446 HydrophobicContact CE3-CB 4.17Å; W443-H446 AromaticContact CZ3-CD2 3.99Å; H446-R448 VanDerWaalsContact C-N 3.34Å; H446-R448 PolarHBondContact O-N 2.94Å; H446-F449 PolarHBondContact O-N 2.8Å; H446-F450 AromaticContact CD2-CE2 3.75Å; H446-F450 AromaticContact CE1-CD2 3.5Å; H446-F450 AromaticContact CE1-CE2 3.63Å; H446-F450 AromaticContact ND1-CD2 3.71Å; H446-F450 AromaticContact NE2-CD2 3.81Å; H446-F450 AromaticContact NE2-CE2 3.43Å; H446-F450 WeakPolarHBondContact NE2-CE2 3.37Å; H446-F450 WeakPolarHBondContact O-CD2 3.29Å; H446-F450 PolarHBondContact O-N 2.88Å; H446-R965 PolarHBondContact ND1-NH1 3.06Å; H446-G968 VanDerWaalsContact CE1-CA 3.48Å; H446-G968 WeakPolarHBondContact CE1-CA 3.45Å
447	Q	85.1	Confident	87.2	Confident	65 Å²	65	26.6 Å²	26.6	30%	0.304	15%	0.148	S	C	.	.	H	α-helix	trans	-60	-44.6	178.8	-178.3	-174.5	-4.7	0	0	111.6	W443 A445 K451 N964	W443-Q447 WeakPolarHBondContact O-CB 3.07Å; W443-Q447 PolarHBondContact O-N 2.95Å; A445-Q447 VanDerWaalsContact C-N 3.34Å; A445-Q447 PolarHBondContact O-N 2.94Å; Q447-K451 WeakPolarHBondContact O-CB 3.34Å; Q447-K451 PolarHBondContact O-N 2.78Å; Q447-K451 VanDerWaalsContact O-N 3.08Å; Q447-N964 HydrophobicContact CG-CB 4.06Å; Q447-N964 PolarHBondContact NE2-ND2 2.96Å; Q447-N964 PolarHBondContact NE2-OD1 3.19Å
448	R	85.2	Confident	87.7	Confident	92 Å²	92	24.3 Å²	24.3	35%	0.347	13%	0.128	S	C	.	.	H	α-helix	trans	-63.9	-42.3	178.5	-75.2	-175.4	-69.4	176.3	1	112	A444 A445 H446 K451 Y452 V509	A444-R448 WeakPolarHBondContact O-CG 3.24Å; A444-R448 PolarHBondContact O-N 2.97Å; A444-R448 PolarHBondContact O-NE 3.08Å; A445-R448 PolarHBondContact O-N 3.44Å; A445-R448 VanDerWaalsContact O-N 3.12Å; H446-R448 VanDerWaalsContact C-N 3.34Å; H446-R448 PolarHBondContact O-N 2.94Å; R448-K451 PolarHBondContact O-N 3.29Å; R448-Y452 HydrophobicContact CB-CE2 4.47Å; R448-Y452 VanDerWaalsContact O-CD2 3.3Å; R448-Y452 WeakPolarHBondContact O-CD2 3.49Å; R448-Y452 PolarHBondContact O-N 3.5Å; R448-V509 HydrophobicContact CB-CG1 4.35Å; R448-V509 HydrophobicContact CB-CG2 4.48Å
449	F	91.4	Very high	88.1	Confident	0 Å²	0	23.6 Å²	23.6	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-57.3	-58.1	179.4	-177.4	-79.2	0	0	0	111.7	W414 A445 H446 K451 Y452 L453 A506 V509 F510 I738 L745	W414-F449 AromaticContact CD1-CD1 3.85Å; W414-F449 AromaticContact CD1-CE1 3.88Å; W414-F449 AromaticContact CE2-CD1 4Å; W414-F449 AromaticContact CE2-CG 3.71Å; W414-F449 HydrophobicContact CZ2-CB 3.53Å; W414-F449 HydrophobicContact CZ2-CD1 4.45Å; W414-F449 AromaticContact CZ2-CD2 3.89Å; W414-F449 HydrophobicContact CZ2-CD2 3.89Å; W414-F449 AromaticContact CZ2-CG 3.72Å; W414-F449 HydrophobicContact CZ2-CG 3.72Å; W414-F449 AromaticContact NE1-CD1 3.08Å; W414-F449 AromaticContact NE1-CD2 3.52Å; W414-F449 AromaticContact NE1-CE1 3.38Å; W414-F449 AromaticContact NE1-CE2 3.77Å; W414-F449 AromaticContact NE1-CG 3.18Å; W414-F449 AromaticContact NE1-CZ 3.72Å; A445-F449 WeakPolarHBondContact O-CB 3.32Å; A445-F449 PolarHBondContact O-N 3.43Å; H446-F449 PolarHBondContact O-N 2.8Å; F449-K451 VanDerWaalsContact C-N 3.28Å; F449-K451 PolarHBondContact O-N 3.15Å; F449-Y452 PolarHBondContact O-N 3.33Å; F449-Y452 VanDerWaalsContact O-N 3.12Å; F449-L453 HydrophobicContact CD1-CD1 4.21Å; F449-L453 HydrophobicContact CD1-CG 4.41Å; F449-L453 HydrophobicContact CE1-CD1 3.63Å; F449-L453 HydrophobicContact CE1-CG 4.11Å; F449-L453 HydrophobicContact CZ-CD1 4.48Å; F449-L453 PolarHBondContact O-N 3.22Å; F449-A506 HydrophobicContact CD2-CB 3.83Å; F449-A506 WeakPolarHBondContact CD2-O 3.44Å; F449-A506 HydrophobicContact CE2-CB 3.74Å; F449-A506 WeakPolarHBondContact CE2-O 3.41Å; F449-A506 HydrophobicContact CG-CB 4.38Å; F449-A506 HydrophobicContact CZ-CB 4.22Å; F449-V509 HydrophobicContact CB-CG1 4.35Å; F449-F510 HydrophobicContact CD2-CB 4.33Å; F449-F510 HydrophobicContact CE2-CB 4.38Å; F449-I738 HydrophobicContact CE2-CD1 4.25Å; F449-L745 HydrophobicContact CE2-CD1 4.4Å; F449-L745 HydrophobicContact CZ-CD1 4.37Å; F449-L745 HydrophobicContact CZ-CD2 3.93Å
450	F	90	Very high	88.3	Confident	0 Å²	0	28.6 Å²	28.6	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-68.3	-30	-178.3	-74.2	-75	0	0	0	112.9	Y407 V411 W414 H446 Y452 L453 C454 L967	Y407-F450 HydrophobicContact CE1-CD1 4.13Å; Y407-F450 HydrophobicContact CE1-CE1 4.15Å; Y407-F450 HydrophobicContact CE2-CD1 4.09Å; Y407-F450 AromaticContact CZ-CD1 3.7Å; V411-F450 HydrophobicContact CG2-CE1 3.69Å; V411-F450 HydrophobicContact CG2-CZ 3.89Å; W414-F450 HydrophobicContact CB-CE2 4.2Å; W414-F450 HydrophobicContact CB-CZ 4.29Å; W414-F450 AromaticContact CD1-CE2 3.53Å; W414-F450 AromaticContact CD1-CZ 3.59Å; W414-F450 HydrophobicContact CD2-CE2 4.33Å; W414-F450 AromaticContact CG-CE2 3.76Å; W414-F450 HydrophobicContact CG-CE2 3.76Å; W414-F450 HydrophobicContact CG-CZ 4.06Å; W414-F450 AromaticContact NE1-CE2 3.98Å; H446-F450 AromaticContact CD2-CE2 3.75Å; H446-F450 AromaticContact CE1-CD2 3.5Å; H446-F450 AromaticContact CE1-CE2 3.63Å; H446-F450 AromaticContact ND1-CD2 3.71Å; H446-F450 AromaticContact NE2-CD2 3.81Å; H446-F450 AromaticContact NE2-CE2 3.43Å; H446-F450 WeakPolarHBondContact NE2-CE2 3.37Å; H446-F450 WeakPolarHBondContact O-CD2 3.29Å; H446-F450 PolarHBondContact O-N 2.88Å; F450-Y452 VanDerWaalsContact C-N 3.32Å; F450-Y452 PolarHBondContact O-N 2.99Å; F450-L453 HydrophobicContact CD1-CD1 4.14Å; F450-L453 HydrophobicContact CE1-CD1 4.41Å; F450-L453 PolarHBondContact O-N 3.41Å; F450-C454 PolarHBondContact O-N 3.4Å; F450-C454 PolarHBondContact O-SG 2.88Å; F450-L967 HydrophobicContact CB-CB 3.77Å; F450-L967 WeakPolarHBondContact CD1-O 3.32Å; F450-L967 HydrophobicContact CG-CB 4.34Å; F450-L967 WeakPolarHBondContact CG-O 3.42Å
451	K	84.4	Confident	88.7	Confident	52 Å²	52	27.1 Å²	27.1	23%	0.226	13%	0.132	C	C	.	.	H	α-helix	trans	-60.4	-42.1	172	-173.1	-172.5	-176.2	-158.6	0	111.7	Q447 R448 F449 C454 I455 S482 E823	Q447-K451 WeakPolarHBondContact O-CB 3.34Å; Q447-K451 PolarHBondContact O-N 2.78Å; Q447-K451 VanDerWaalsContact O-N 3.08Å; R448-K451 PolarHBondContact O-N 3.29Å; F449-K451 VanDerWaalsContact C-N 3.28Å; F449-K451 PolarHBondContact O-N 3.15Å; K451-C454 PolarHBondContact O-N 3.39Å; K451-I455 HydrophobicContact CG-CD1 4.4Å; K451-I455 WeakPolarHBondContact O-CG1 3.16Å; K451-I455 PolarHBondContact O-N 3.26Å; K451-I455 VanDerWaalsContact O-N 3.12Å; K451-S482 PolarHBondContact NZ-OG 3.22Å; K451-E823 VanDerWaalsContact CE-CD 3.42Å; K451-E823 WeakPolarHBondContact CE-OE1 3.41Å; K451-E823 IonicContact NZ-OE1 3.66Å; K451-E823 PolarHBondContact NZ-OE1 3.26Å; K451-E823 IonicContact NZ-OE2 2.71Å
452	Y	86.8	Confident	89.2	Confident	18 Å²	18	24 Å²	24	7%	0.071	12%	0.117	C	C	.	.	H	α-helix	trans	-65.4	-38.3	175.7	-65.2	-36.5	0	0	0	112.3	R448 F449 F450 I455 A456 G484 V509	R448-Y452 HydrophobicContact CB-CE2 4.47Å; R448-Y452 VanDerWaalsContact O-CD2 3.3Å; R448-Y452 WeakPolarHBondContact O-CD2 3.49Å; R448-Y452 PolarHBondContact O-N 3.5Å; F449-Y452 PolarHBondContact O-N 3.33Å; F449-Y452 VanDerWaalsContact O-N 3.12Å; F450-Y452 VanDerWaalsContact C-N 3.32Å; F450-Y452 PolarHBondContact O-N 2.99Å; Y452-I455 PolarHBondContact O-N 3.31Å; Y452-A456 WeakPolarHBondContact O-CB 3.49Å; Y452-A456 PolarHBondContact O-N 3.34Å; Y452-G484 VanDerWaalsContact OH-CA 3.28Å; Y452-G484 WeakPolarHBondContact OH-CA 3.42Å; Y452-V509 HydrophobicContact CD2-CG2 4.37Å; Y452-V509 HydrophobicContact CE2-CG2 3.76Å
453	L	89.4	Confident	89.4	Confident	0 Å²	0	24.2 Å²	24.2	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-60.6	-46.6	172.8	-60.8	-169.6	0	0	0	111.6	F403 M406 Y407 F449 F450 I455 A456 A457 A506 L745 P746	F403-L453 HydrophobicContact CZ-CB 4.44Å; F403-L453 VanDerWaalsContact CZ-O 3.29Å; F403-L453 WeakPolarHBondContact CZ-O 3.42Å; M406-L453 HydrophobicContact CE-CD2 4.16Å; M406-L453 HydrophobicContact SD-CD1 4.03Å; M406-L453 HydrophobicContact SD-CD2 3.88Å; Y407-L453 HydrophobicContact CD2-CB 4.18Å; Y407-L453 HydrophobicContact CD2-CD1 4Å; Y407-L453 HydrophobicContact CE2-CB 4.12Å; Y407-L453 HydrophobicContact CE2-CD1 4.3Å; F449-L453 HydrophobicContact CD1-CD1 4.21Å; F449-L453 HydrophobicContact CD1-CG 4.41Å; F449-L453 HydrophobicContact CE1-CD1 3.63Å; F449-L453 HydrophobicContact CE1-CG 4.11Å; F449-L453 HydrophobicContact CZ-CD1 4.48Å; F449-L453 PolarHBondContact O-N 3.22Å; F450-L453 HydrophobicContact CD1-CD1 4.14Å; F450-L453 HydrophobicContact CE1-CD1 4.41Å; F450-L453 PolarHBondContact O-N 3.41Å; L453-I455 VanDerWaalsContact C-N 3.27Å; L453-I455 PolarHBondContact O-N 2.86Å; L453-A456 WeakPolarHBondContact O-CB 3.26Å; L453-A456 PolarHBondContact O-N 3.4Å; L453-A456 VanDerWaalsContact O-N 3.12Å; L453-A457 PolarHBondContact O-N 2.82Å; L453-A506 HydrophobicContact CD2-CB 4.31Å; L453-L745 HydrophobicContact CD2-CD2 3.98Å; L453-P746 HydrophobicContact CD2-CG 3.55Å
454	C	86.4	Confident	89.6	Confident	4 Å²	4	28.8 Å²	28.8	3%	0.027	14%	0.136	C	C	.	.	H	α-helix	trans	-56.7	-41.5	177.4	-64.5	0	0	0	0	112	F450 K451 A457 K458 L856	F450-C454 PolarHBondContact O-N 3.4Å; F450-C454 PolarHBondContact O-SG 2.88Å; K451-C454 PolarHBondContact O-N 3.39Å; C454-A457 WeakPolarHBondContact O-CB 3.44Å; C454-K458 WeakPolarHBondContact O-CE 3.44Å; C454-L856 HydrophobicContact CB-CD1 4.38Å; C454-L856 VanDerWaalsContact SG-CD1 3.56Å
455	I	86.3	Confident	90.1	Very high	1 Å²	1	26.9 Å²	26.9	1%	0.005	12%	0.12	C	C	.	.	H	α-helix	trans	-67.3	-46.2	176.8	-62.3	166.1	0	0	0	110.3	K451 Y452 L453 A457 K458 V459 L480 T749 L822 E823	K451-I455 HydrophobicContact CG-CD1 4.4Å; K451-I455 WeakPolarHBondContact O-CG1 3.16Å; K451-I455 PolarHBondContact O-N 3.26Å; K451-I455 VanDerWaalsContact O-N 3.12Å; Y452-I455 PolarHBondContact O-N 3.31Å; L453-I455 VanDerWaalsContact C-N 3.27Å; L453-I455 PolarHBondContact O-N 2.86Å; I455-A457 VanDerWaalsContact C-N 3.28Å; I455-A457 PolarHBondContact O-N 2.93Å; I455-K458 PolarHBondContact O-N 3.39Å; I455-V459 PolarHBondContact O-N 2.96Å; I455-L480 HydrophobicContact CG2-CD2 4.33Å; I455-T749 HydrophobicContact CB-CG2 4.11Å; I455-T749 HydrophobicContact CG2-CG2 3.74Å; I455-L822 HydrophobicContact CG2-CD2 3.79Å; I455-L822 HydrophobicContact CG2-CG 4.17Å; I455-E823 HydrophobicContact CD1-CG 4.21Å; I455-E823 HydrophobicContact CG1-CB 4.44Å; I455-E823 HydrophobicContact CG1-CG 4.27Å
456	A	88.7	Confident	90.4	Very high	11 Å²	11	26.8 Å²	26.8	9%	0.091	12%	0.119	C	C	.	.	H	α-helix	trans	-57.7	-38.1	180	0	0	0	0	0	112.8	Y452 L453 K458 V459 P746 T749	Y452-A456 WeakPolarHBondContact O-CB 3.49Å; Y452-A456 PolarHBondContact O-N 3.34Å; L453-A456 WeakPolarHBondContact O-CB 3.26Å; L453-A456 PolarHBondContact O-N 3.4Å; L453-A456 VanDerWaalsContact O-N 3.12Å; A456-K458 PolarHBondContact O-N 2.94Å; A456-V459 PolarHBondContact O-N 3.3Å; A456-P746 HydrophobicContact CB-CB 3.49Å; A456-P746 VanDerWaalsContact CB-CB 3.49Å; A456-P746 HydrophobicContact CB-CG 3.53Å; A456-T749 HydrophobicContact CB-CG2 3.97Å
457	A	89.8	Confident	90.6	Very high	15 Å²	15	30.4 Å²	30.4	12%	0.124	13%	0.133	C	C	.	.	H	α-helix	trans	-52.8	-30.2	175.8	0	0	0	0	0	113.2	L399 F403 L453 C454 I455	L399-A457 HydrophobicContact CD2-CB 3.84Å; F403-A457 HydrophobicContact CD1-CB 4.38Å; F403-A457 HydrophobicContact CE1-CB 3.72Å; F403-A457 HydrophobicContact CE2-CB 3.85Å; F403-A457 HydrophobicContact CZ-CB 3.45Å; F403-A457 VanDerWaalsContact CZ-CB 3.45Å; L453-A457 PolarHBondContact O-N 2.82Å; C454-A457 WeakPolarHBondContact O-CB 3.44Å; I455-A457 VanDerWaalsContact C-N 3.28Å; I455-A457 PolarHBondContact O-N 2.93Å
458	K	90.7	Very high	91.1	Very high	1 Å²	1	31.2 Å²	31.2	0%	0.004	14%	0.136	C	C	.	.	H	α-helix	trans	-101.5	-9.9	-173.1	-64.6	174.6	-75.3	-171	0	113.9	V397 C454 I455 A456 K460 A461 C462 L822 L852 E859	V397-K458 HydrophobicContact CB-CG 4.37Å; V397-K458 HydrophobicContact CG2-CG 4.24Å; C454-K458 WeakPolarHBondContact O-CE 3.44Å; I455-K458 PolarHBondContact O-N 3.39Å; A456-K458 PolarHBondContact O-N 2.94Å; K458-K460 PolarHBondContact O-N 3.47Å; K458-A461 PolarHBondContact O-N 3.46Å; K458-C462 WeakPolarHBondContact O-CB 3.42Å; K458-C462 PolarHBondContact O-N 2.87Å; K458-L822 HydrophobicContact CB-CD1 3.42Å; K458-L822 VanDerWaalsContact CB-CD1 3.42Å; K458-L822 HydrophobicContact CB-CG 4.5Å; K458-L822 VanDerWaalsContact CE-O 3.3Å; K458-L822 WeakPolarHBondContact CE-O 3.42Å; K458-L822 PolarHBondContact NZ-O 3.37Å; K458-L852 HydrophobicContact CB-CB 4.49Å; K458-L852 HydrophobicContact CD-CB 4.05Å; K458-L852 WeakPolarHBondContact CD-O 3.41Å; K458-E859 WeakPolarHBondContact CE-OE2 3.43Å; K458-E859 IonicContact NZ-OE1 3.77Å; K458-E859 PolarHBondContact NZ-OE1 2.85Å; K458-E859 IonicContact NZ-OE2 2.73Å; K458-E859 PolarHBondContact NZ-OE2 3.41Å
459	V	91.9	Very high	91.6	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-58	-47.9	-174.6	170.3	0	0	0	0	111.4	I455 A456 A461 C462 V463 T749 E752 L753 L822	I455-V459 PolarHBondContact O-N 2.96Å; A456-V459 PolarHBondContact O-N 3.3Å; V459-A461 VanDerWaalsContact C-N 3.34Å; V459-A461 PolarHBondContact O-N 2.92Å; V459-C462 VanDerWaalsContact O-CB 3.3Å; V459-C462 WeakPolarHBondContact O-CB 3.37Å; V459-C462 PolarHBondContact O-N 3.44Å; V459-C462 VanDerWaalsContact O-N 3.13Å; V459-V463 HydrophobicContact CG1-CG2 4.32Å; V459-V463 WeakPolarHBondContact O-CG2 3.29Å; V459-V463 PolarHBondContact O-N 2.73Å; V459-T749 HydrophobicContact CG2-CG2 4.12Å; V459-E752 HydrophobicContact CG1-CB 4.43Å; V459-E752 HydrophobicContact CG1-CG 3.98Å; V459-L753 HydrophobicContact CG1-CD2 3.89Å; V459-L753 HydrophobicContact CG1-CG 3.97Å; V459-L753 HydrophobicContact CG2-CG 4.37Å; V459-L822 HydrophobicContact CG2-CD2 4.31Å
460	K	91.9	Very high	91.7	Very high	160 Å²	160	27.3 Å²	27.3	70%	0.696	12%	0.123	S	C	*	.	H	α-helix	trans	-59	-43.1	179.4	-67.7	-179.7	-178.2	171.2	0	112.6	K458 V463 R464	K458-K460 PolarHBondContact O-N 3.47Å; K460-V463 PolarHBondContact O-N 2.63Å; K460-R464 PolarHBondContact O-N 3.43Å; K460-R464 VanDerWaalsContact O-N 3.1Å
461	A	93.1	Very high	92	Very high	11 Å²	11	36 Å²	36	9%	0.091	16%	0.156	C	C	.	.	H	α-helix	trans	-66.1	-42	176.4	0	0	0	0	0	111.6	V397 K458 V459 V463 R464 L465	V397-A461 HydrophobicContact CB-CB 4.45Å; V397-A461 HydrophobicContact CG1-CB 3.93Å; V397-A461 HydrophobicContact CG2-CB 3.6Å; K458-A461 PolarHBondContact O-N 3.46Å; V459-A461 VanDerWaalsContact C-N 3.34Å; V459-A461 PolarHBondContact O-N 2.92Å; A461-V463 PolarHBondContact O-N 3.31Å; A461-R464 PolarHBondContact O-N 2.77Å; A461-L465 VanDerWaalsContact O-CG 3.31Å; A461-L465 WeakPolarHBondContact O-CG 3.18Å; A461-L465 PolarHBondContact O-N 3.4Å
462	C	95	Very high	92.5	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-57.7	-48.3	175.3	-167.6	0	0	0	0	112.1	K458 V459 R464 L465 A466 L753 L822 L852	K458-C462 WeakPolarHBondContact O-CB 3.42Å; K458-C462 PolarHBondContact O-N 2.87Å; V459-C462 VanDerWaalsContact O-CB 3.3Å; V459-C462 WeakPolarHBondContact O-CB 3.37Å; V459-C462 PolarHBondContact O-N 3.44Å; V459-C462 VanDerWaalsContact O-N 3.13Å; C462-R464 PolarHBondContact O-N 2.86Å; C462-L465 PolarHBondContact O-N 2.97Å; C462-A466 VanDerWaalsContact O-CB 3.3Å; C462-A466 WeakPolarHBondContact O-CB 3.48Å; C462-A466 PolarHBondContact O-N 3Å; C462-L753 HydrophobicContact CB-CD2 4.27Å; C462-L822 HydrophobicContact CB-CD1 3.74Å; C462-L852 HydrophobicContact CB-CD1 3.69Å
463	V	95.6	Very high	92.8	Very high	6 Å²	6	39 Å²	39	4%	0.036	19%	0.185	C	C	.	.	H	α-helix	trans	-60.2	-46	178	170.4	0	0	0	0	111.1	V459 K460 A461 L465 A466 R467 L753 E756 L757	V459-V463 HydrophobicContact CG1-CG2 4.32Å; V459-V463 WeakPolarHBondContact O-CG2 3.29Å; V459-V463 PolarHBondContact O-N 2.73Å; K460-V463 PolarHBondContact O-N 2.63Å; A461-V463 PolarHBondContact O-N 3.31Å; V463-L465 PolarHBondContact O-N 3.26Å; V463-A466 PolarHBondContact O-N 3.5Å; V463-R467 HydrophobicContact CG1-CG 4.43Å; V463-R467 VanDerWaalsContact CG1-CZ 3.47Å; V463-R467 WeakPolarHBondContact O-CB 3.49Å; V463-R467 WeakPolarHBondContact O-CG 3.27Å; V463-R467 PolarHBondContact O-N 3.14Å; V463-L753 HydrophobicContact CG2-CD2 4Å; V463-E756 HydrophobicContact CG1-CB 3.97Å; V463-E756 HydrophobicContact CG2-CB 3.78Å; V463-L757 HydrophobicContact CB-CD2 4.43Å; V463-L757 HydrophobicContact CG1-CD2 4.14Å; V463-L757 HydrophobicContact CG2-CD2 4.34Å; V463-L757 HydrophobicContact CG2-CG 4.39Å
464	R	95.5	Very high	93.1	Very high	121 Å²	121	41.2 Å²	41.2	46%	0.457	19%	0.194	S	C	.	.	H	α-helix	trans	-56	-50.9	176.9	178.7	-178.8	59.9	75.6	-0.8	110.9	E395 K460 A461 C462 R467 E468	E395-R464 IonicContact OE1-CZ 3.9Å; E395-R464 IonicContact OE1-NH1 3.06Å; E395-R464 IonicContact OE1-NH2 2.68Å; E395-R464 PolarHBondContact OE1-NH2 3.08Å; K460-R464 PolarHBondContact O-N 3.43Å; K460-R464 VanDerWaalsContact O-N 3.1Å; A461-R464 PolarHBondContact O-N 2.77Å; C462-R464 PolarHBondContact O-N 2.86Å; R464-R467 PolarHBondContact O-N 3.47Å; R464-E468 IonicContact NH1-OE2 2.69Å; R464-E468 WeakPolarHBondContact O-CB 3.11Å; R464-E468 PolarHBondContact O-N 3.37Å
465	L	94.9	Very high	93.6	Very high	1 Å²	1	41 Å²	41	1%	0.005	19%	0.193	C	C	.	.	H	α-helix	trans	-66.6	-38.9	-178.2	-71.4	170.4	0	0	0	113.4	R393 E395 A461 C462 V463 S469 I820 I850 L852	R393-L465 VanDerWaalsContact NH2-CD2 3.34Å; E395-L465 WeakPolarHBondContact OE1-CD2 3.25Å; E395-L465 VanDerWaalsContact OE2-CD1 3.31Å; E395-L465 WeakPolarHBondContact OE2-CD1 3.36Å; E395-L465 VanDerWaalsContact OE2-CD2 3.32Å; E395-L465 WeakPolarHBondContact OE2-CD2 3.3Å; A461-L465 VanDerWaalsContact O-CG 3.31Å; A461-L465 WeakPolarHBondContact O-CG 3.18Å; A461-L465 PolarHBondContact O-N 3.4Å; C462-L465 PolarHBondContact O-N 2.97Å; V463-L465 PolarHBondContact O-N 3.26Å; L465-S469 VanDerWaalsContact O-CB 3.3Å; L465-S469 WeakPolarHBondContact O-CB 3.5Å; L465-S469 PolarHBondContact O-N 3.19Å; L465-S469 PolarHBondContact O-OG 3.08Å; L465-I820 HydrophobicContact CB-CD1 3.92Å; L465-I850 HydrophobicContact CD1-CG2 4.25Å; L465-L852 HydrophobicContact CD1-CD1 4.32Å; L465-L852 HydrophobicContact CD1-CD2 3.53Å; L465-L852 HydrophobicContact CD1-CG 4.37Å
466	A	95.7	Very high	94.1	Very high	0 Å²	0	41 Å²	41	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-63.1	-49.2	175.4	0	0	0	0	0	110.4	C462 V463 E468 S469 V470 V476 L757 I820	C462-A466 VanDerWaalsContact O-CB 3.3Å; C462-A466 WeakPolarHBondContact O-CB 3.48Å; C462-A466 PolarHBondContact O-N 3Å; V463-A466 PolarHBondContact O-N 3.5Å; A466-E468 VanDerWaalsContact C-N 3.35Å; A466-E468 PolarHBondContact O-N 3.31Å; A466-S469 PolarHBondContact O-N 3.35Å; A466-V470 VanDerWaalsContact O-CG2 3.32Å; A466-V470 WeakPolarHBondContact O-CG2 3.23Å; A466-V470 PolarHBondContact O-N 3.39Å; A466-V476 HydrophobicContact CB-CG1 4Å; A466-V476 HydrophobicContact CB-CG2 4.38Å; A466-L757 HydrophobicContact CB-CD2 3.85Å; A466-I820 HydrophobicContact CB-CD1 4.17Å
467	R	95.1	Very high	94.3	Very high	81 Å²	81	40.5 Å²	40.5	31%	0.306	19%	0.189	S	C	.	.	H	α-helix	trans	-59.8	-43.5	177.6	-74.4	177.5	178	157.8	-0.3	112	V463 R464 R471 E756 L757	V463-R467 HydrophobicContact CG1-CG 4.43Å; V463-R467 VanDerWaalsContact CG1-CZ 3.47Å; V463-R467 WeakPolarHBondContact O-CB 3.49Å; V463-R467 WeakPolarHBondContact O-CG 3.27Å; V463-R467 PolarHBondContact O-N 3.14Å; R464-R467 PolarHBondContact O-N 3.47Å; R467-R471 WeakPolarHBondContact O-CB 3.28Å; R467-R471 PolarHBondContact O-N 2.55Å; R467-E756 IonicContact CZ-OE2 2.62Å; R467-E756 IonicContact NH1-OE2 2.69Å; R467-E756 PolarHBondContact NH2-O 3.5Å; R467-E756 IonicContact NH2-OE2 3.36Å; R467-E756 PolarHBondContact NH2-OE2 3.33Å; R467-L757 HydrophobicContact CG-CD2 4.44Å
468	E	95.4	Very high	94.5	Very high	81 Å²	81	39.8 Å²	39.8	38%	0.379	18%	0.183	S	C	.	.	H	α-helix	trans	-62.3	-45.9	176.6	-172	-173.6	158.3	0	0	111.8	R464 A466 V470 R471 N472	R464-E468 IonicContact NH1-OE2 2.69Å; R464-E468 WeakPolarHBondContact O-CB 3.11Å; R464-E468 PolarHBondContact O-N 3.37Å; A466-E468 VanDerWaalsContact C-N 3.35Å; A466-E468 PolarHBondContact O-N 3.31Å; E468-V470 PolarHBondContact O-N 2.85Å; E468-R471 WeakPolarHBondContact O-CB 3.26Å; E468-R471 PolarHBondContact O-N 3.5Å; E468-N472 WeakPolarHBondContact O-CB 3.3Å; E468-N472 VanDerWaalsContact O-CG 3.27Å; E468-N472 PolarHBondContact O-N 3Å; E468-N472 PolarHBondContact O-ND2 3.11Å
469	S	95.4	Very high	94.3	Very high	8 Å²	8	39.7 Å²	39.7	6%	0.056	18%	0.182	C	C	.	.	H	α-helix	trans	-62.9	-43.1	179	-63.1	0	0	0	0	112.2	L465 A466 N472 K474	L465-S469 VanDerWaalsContact O-CB 3.3Å; L465-S469 WeakPolarHBondContact O-CB 3.5Å; L465-S469 PolarHBondContact O-N 3.19Å; L465-S469 PolarHBondContact O-OG 3.08Å; A466-S469 PolarHBondContact O-N 3.35Å; S469-N472 CarbonylContact O-C 3.59Å; S469-N472 PolarHBondContact O-N 3.3Å; S469-K474 VanDerWaalsContact O-CB 3.29Å; S469-K474 WeakPolarHBondContact O-CB 3.39Å; S469-K474 PolarHBondContact O-N 3.37Å
470	V	94.7	Very high	93.8	Very high	3 Å²	3	39.7 Å²	39.7	2%	0.018	18%	0.182	C	C	.	.	H	α-helix	trans	-65.9	-39.6	176.6	178.6	0	0	0	0	111.3	A466 E468 N472 G473 V476 W650 R791 I792	A466-V470 VanDerWaalsContact O-CG2 3.32Å; A466-V470 WeakPolarHBondContact O-CG2 3.23Å; A466-V470 PolarHBondContact O-N 3.39Å; E468-V470 PolarHBondContact O-N 2.85Å; V470-N472 PolarHBondContact O-N 3.06Å; V470-G473 PolarHBondContact O-N 3.41Å; V470-V476 HydrophobicContact CG2-CG2 3.76Å; V470-W650 HydrophobicContact CB-CH2 4.25Å; V470-W650 HydrophobicContact CB-CZ2 4.01Å; V470-W650 HydrophobicContact CG1-CH2 3.68Å; V470-W650 HydrophobicContact CG1-CZ2 3.3Å; V470-W650 HydrophobicContact CG1-CZ3 4.49Å; V470-R791 HydrophobicContact CG1-CB 4.32Å; V470-I792 HydrophobicContact CG2-CD1 4.15Å; V470-I792 HydrophobicContact CG2-CG1 3.86Å
471	R	94.8	Very high	92.9	Very high	181 Å²	181	33.3 Å²	33.3	68%	0.683	16%	0.155	S	C	*	.	H	α-helix	trans	-60.6	-36.6	173.8	-170.6	-173	-58.3	165.5	1.9	111.8	R467 E468 G473 W650	R467-R471 WeakPolarHBondContact O-CB 3.28Å; R467-R471 PolarHBondContact O-N 2.55Å; E468-R471 WeakPolarHBondContact O-CB 3.26Å; E468-R471 PolarHBondContact O-N 3.5Å; R471-G473 PolarHBondContact O-N 2.89Å; R471-G473 VanDerWaalsContact O-N 3.15Å; R471-W650 HydrophobicContact CB-CH2 4.19Å
472	N	95	Very high	91.6	Very high	97 Å²	97	34.2 Å²	34.2	52%	0.519	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.2	15.8	175.3	-66.8	-24.5	0	0	0	113.7	E468 S469 V470 K474	E468-N472 WeakPolarHBondContact O-CB 3.3Å; E468-N472 VanDerWaalsContact O-CG 3.27Å; E468-N472 PolarHBondContact O-N 3Å; E468-N472 PolarHBondContact O-ND2 3.11Å; S469-N472 CarbonylContact O-C 3.59Å; S469-N472 PolarHBondContact O-N 3.3Å; V470-N472 PolarHBondContact O-N 3.06Å; N472-K474 VanDerWaalsContact C-N 3.31Å; N472-K474 PolarHBondContact O-N 2.82Å
473	G	94	Very high	90.1	Very high	37 Å²	37	35.4 Å²	35.4	38%	0.381	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	75.4	14.1	175.4	0	0	0	0	0	114.9	V470 R471 K815	V470-G473 PolarHBondContact O-N 3.41Å; R471-G473 PolarHBondContact O-N 2.89Å; R471-G473 VanDerWaalsContact O-N 3.15Å; G473-K815 WeakPolarHBondContact O-CD 3.27Å; G473-K815 WeakPolarHBondContact O-CG 3.26Å
474	K	95.7	Very high	88.3	Confident	47 Å²	47	35.6 Å²	35.6	20%	0.204	17%	0.171	C	C	.	.			trans	-95.7	166.8	178.8	-53.2	-178.4	-172.8	175	0	111.3	S469 N472 R816 V818 E848	S469-K474 VanDerWaalsContact O-CB 3.29Å; S469-K474 WeakPolarHBondContact O-CB 3.39Å; S469-K474 PolarHBondContact O-N 3.37Å; N472-K474 VanDerWaalsContact C-N 3.31Å; N472-K474 PolarHBondContact O-N 2.82Å; K474-R816 WeakPolarHBondContact CB-O 2.95Å; K474-V818 HydrophobicContact CB-CG2 3.88Å; K474-V818 HydrophobicContact CD-CG2 3.4Å; K474-V818 VanDerWaalsContact CD-CG2 3.4Å; K474-V818 HydrophobicContact CG-CG2 4.26Å; K474-E848 WeakPolarHBondContact CE-OE1 3.08Å; K474-E848 IonicContact NZ-OE1 2.83Å; K474-E848 PolarHBondContact NZ-OE1 3.23Å; K474-E848 IonicContact NZ-OE2 3.02Å; K474-E848 PolarHBondContact NZ-OE2 3.45Å
475	C	96	Very high	86.5	Confident	0 Å²	0	30.1 Å²	30.1	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	141.4	170.4	-80.3	0	0	0	0	110.1	F785 R791 N813 K815 R816 R817 V818	C475-F785 HydrophobicContact CB-CE2 4.25Å; C475-F785 HydrophobicContact CB-CZ 4.02Å; C475-R791 CarbonylContact C-O 3.6Å; C475-R791 WeakPolarHBondContact CA-O 3.34Å; C475-N813 PolarHBondContact SG-ND2 3.04Å; C475-K815 HydrophobicContact CB-CB 4.33Å; C475-R816 PolarHBondContact N-O 2.84Å; C475-R817 CarbonylContact O-C 3.59Å; C475-R817 WeakPolarHBondContact O-CA 3.49Å; C475-V818 PolarHBondContact O-N 2.98Å
476	V	96.6	Very high	84.7	Confident	0 Å²	0	32.3 Å²	32.3	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	136.9	-171.6	-177.7	0	0	0	0	110.2	A466 V470 I478 F785 R791 I792 A793 V818 I820	A466-V476 HydrophobicContact CB-CG1 4Å; A466-V476 HydrophobicContact CB-CG2 4.38Å; V470-V476 HydrophobicContact CG2-CG2 3.76Å; V476-I478 HydrophobicContact CG1-CG1 3.93Å; V476-F785 WeakPolarHBondContact O-CE2 3.4Å; V476-R791 PolarHBondContact N-O 3.45Å; V476-I792 HydrophobicContact CB-CG1 4.36Å; V476-I792 CarbonylContact O-C 3.56Å; V476-I792 VanDerWaalsContact O-CA 3.31Å; V476-I792 WeakPolarHBondContact O-CA 3.37Å; V476-A793 PolarHBondContact O-N 3.46Å; V476-V818 CarbonylContact C-O 3.53Å; V476-V818 VanDerWaalsContact CA-O 3.29Å; V476-V818 WeakPolarHBondContact CA-O 3.39Å; V476-V818 HydrophobicContact CG2-CB 4.5Å; V476-I820 HydrophobicContact CG1-CD1 3.81Å; V476-I820 HydrophobicContact CG1-CG1 4.19Å
477	V	94.2	Very high	82.9	Confident	0 Å²	0	34.7 Å²	34.7	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	123.7	168.1	179.4	0	0	0	0	107.6	F785 A793 I795 L805 V818 H819 I820 T838	V477-F785 HydrophobicContact CG2-CE1 4.15Å; V477-F785 HydrophobicContact CG2-CE2 4.41Å; V477-F785 HydrophobicContact CG2-CZ 3.65Å; V477-A793 CarbonylContact C-O 3.56Å; V477-A793 VanDerWaalsContact CA-O 3.31Å; V477-A793 WeakPolarHBondContact CA-O 3.33Å; V477-A793 HydrophobicContact CG2-CB 4.5Å; V477-I795 HydrophobicContact CG1-CD1 3.8Å; V477-I795 HydrophobicContact CG1-CG1 3.96Å; V477-I795 HydrophobicContact CG1-CG2 4.41Å; V477-L805 HydrophobicContact CG1-CD1 4.02Å; V477-L805 HydrophobicContact CG2-CB 4.35Å; V477-L805 HydrophobicContact CG2-CD1 4.15Å; V477-V818 PolarHBondContact N-O 2.8Å; V477-H819 CarbonylContact O-C 3.49Å; V477-H819 VanDerWaalsContact O-CA 3.27Å; V477-H819 WeakPolarHBondContact O-CA 3.42Å; V477-I820 PolarHBondContact O-N 2.87Å; V477-T838 HydrophobicContact CB-CG2 3.88Å; V477-T838 HydrophobicContact CG1-CG2 4.06Å; V477-T838 HydrophobicContact CG2-CG2 3.64Å
478	I	92.6	Very high	81	Confident	0 Å²	0	31.7 Å²	31.7	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	124.3	178.8	-56.3	174.8	0	0	0	108.2	V476 L753 L757 I792 A793 I794 I795 I820 L822	V476-I478 HydrophobicContact CG1-CG1 3.93Å; I478-L753 HydrophobicContact CD1-CD2 4.49Å; I478-L757 HydrophobicContact CD1-CD1 3.59Å; I478-I792 HydrophobicContact CD1-CG2 4.26Å; I478-A793 PolarHBondContact N-O 3.23Å; I478-I794 HydrophobicContact CB-CG1 4.23Å; I478-I794 HydrophobicContact CD1-CG1 4.4Å; I478-I794 WeakPolarHBondContact O-CA 3.47Å; I478-I795 WeakPolarHBondContact O-CG1 3.44Å; I478-I795 PolarHBondContact O-N 2.87Å; I478-I820 CarbonylContact C-O 3.54Å; I478-I820 WeakPolarHBondContact CA-O 3.32Å; I478-L822 HydrophobicContact CG2-CB 4.23Å
479	G	87.7	Confident	79.1	Confident	0 Å²	0	32.5 Å²	32.5	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	124.2	179.7	0	0	0	0	0	113.4	I820 L822 E823	G479-I820 PolarHBondContact N-O 3.46Å; G479-L822 PolarHBondContact O-N 2.88Å; G479-L822 VanDerWaalsContact O-N 3.11Å; G479-E823 PolarHBondContact O-N 3.18Å
480	L	82.1	Confident	77.4	Confident	0 Å²	0	36.5 Å²	36.5	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	146.9	172.7	-60.8	171	0	0	0	109.5	I455 L750 L753 I794 I795 S796 E797 L822	I455-L480 HydrophobicContact CG2-CD2 4.33Å; L480-L750 HydrophobicContact CD1-CD1 4.12Å; L480-L753 HydrophobicContact CD1-CD1 4.33Å; L480-I794 HydrophobicContact CD1-CG2 3.59Å; L480-I794 HydrophobicContact CG-CG2 4.25Å; L480-I795 PolarHBondContact N-O 3.24Å; L480-S796 CarbonylContact O-C 3.58Å; L480-S796 VanDerWaalsContact O-CA 3.26Å; L480-S796 WeakPolarHBondContact O-CA 3.45Å; L480-E797 PolarHBondContact O-N 3.08Å; L480-E797 VanDerWaalsContact O-N 3.07Å; L480-L822 HydrophobicContact CD2-CB 3.94Å; L480-L822 HydrophobicContact CD2-CD2 3.68Å; L480-L822 HydrophobicContact CD2-CG 4.19Å
481	Q	72.6	Confident	75.6	Confident	25 Å²	25	37 Å²	37	12%	0.117	20%	0.195	C	C	.	.	S	Bend	trans	-86.9	-42.5	170.1	-52.4	-74.3	-55.9	0	0	110.7	E797 E823	Q481-E797 HydrophobicContact CB-CB 4.47Å; Q481-E797 PolarHBondContact OE1-OE2 3.02Å; Q481-E823 WeakPolarHBondContact CA-OE2 3.41Å; Q481-E823 WeakPolarHBondContact CB-OE1 3.3Å; Q481-E823 WeakPolarHBondContact CB-OE2 3.23Å; Q481-E823 HydrophobicContact CG-CB 4.38Å; Q481-E823 HydrophobicContact CG-CG 4.02Å; Q481-E823 WeakPolarHBondContact CG-OE1 3.42Å; Q481-E823 PolarHBondContact N-OE2 3.49Å
482	S	65.2	Low	73.6	Confident	31 Å²	31	31.4 Å²	31.4	22%	0.217	18%	0.178	C	C	.	.			trans	-127.3	133.4	-178.7	50	0	0	0	0	111.9	K451 E823	K451-S482 PolarHBondContact NZ-OG 3.22Å; S482-E823 PolarHBondContact N-OE2 3.28Å
483	T	63.3	Low	71.8	Confident	24 Å²	24	32.5 Å²	32.5	15%	0.147	18%	0.184	C	C	.	.			trans	-87.6	-26.2	179.8	58	0	0	0	0	113.4	E485 L750	T483-E485 PolarHBondContact O-N 2.89Å; T483-L750 HydrophobicContact CG2-CD2 3.68Å
484	G	57.9	Low	70	Confident	10 Å²	10	37.1 Å²	37.1	10%	0.103	20%	0.196	C	C	.	.			trans	73.9	0.8	-178.7	0	0	0	0	0	115.6	Y452 A486 R487	Y452-G484 VanDerWaalsContact OH-CA 3.28Å; Y452-G484 WeakPolarHBondContact OH-CA 3.42Å; G484-A486 PolarHBondContact O-N 2.93Å; G484-R487 PolarHBondContact O-N 2.87Å
485	E	57.7	Low	68.1	Low	6 Å²	6	42 Å²	42	3%	0.028	21%	0.214	C	C	.	.	H	α-helix	trans	-70.7	-24.1	-167	-68.5	-176.4	133.8	0	0	116.4	T483 R487 T488 L489 L750 R767	T483-E485 PolarHBondContact O-N 2.89Å; E485-R487 PolarHBondContact O-N 3.23Å; E485-T488 VanDerWaalsContact CA-OG1 3.25Å; E485-T488 WeakPolarHBondContact CA-OG1 3.38Å; E485-T488 PolarHBondContact O-N 3.3Å; E485-T488 PolarHBondContact O-OG1 3.15Å; E485-L489 PolarHBondContact O-N 3.39Å; E485-L750 HydrophobicContact CG-CD2 3.8Å; E485-L750 WeakPolarHBondContact OE1-CD2 3.45Å; E485-R767 IonicContact OE1-CZ 3.65Å; E485-R767 IonicContact OE1-NE 3.12Å; E485-R767 PolarHBondContact OE1-NE 3.41Å; E485-R767 IonicContact OE1-NH1 3.43Å; E485-R767 PolarHBondContact OE1-NH1 3.03Å; E485-R767 VanDerWaalsContact OE1-NH1 3.11Å; E485-R767 IonicContact OE1-NH2 2.86Å; E485-R767 PolarHBondContact OE1-NH2 3.44Å; E485-R767 VanDerWaalsContact OE2-CD 3.31Å; E485-R767 WeakPolarHBondContact OE2-CD 3.46Å; E485-R767 IonicContact OE2-CZ 2.65Å; E485-R767 IonicContact OE2-NE 3.97Å; E485-R767 PolarHBondContact OE2-NE 3.27Å; E485-R767 VanDerWaalsContact OE2-NE 3.13Å; E485-R767 IonicContact OE2-NH1 3.41Å; E485-R767 PolarHBondContact OE2-NH1 3.35Å; E485-R767 IonicContact OE2-NH2 3.72Å
486	A	56.9	Low	65.9	Low	47 Å²	47	45.3 Å²	45.3	39%	0.388	25%	0.248	S	C	.	.	H	α-helix	trans	-53	-30.8	175.5	0	0	0	0	0	111.3	G484 E490 F621	G484-A486 PolarHBondContact O-N 2.93Å; A486-E490 WeakPolarHBondContact O-CG 3.37Å; A486-E490 PolarHBondContact O-N 3.46Å; A486-F621 HydrophobicContact CB-CE1 4.38Å
487	R	58.5	Low	63.6	Low	50 Å²	50	47.4 Å²	47.4	19%	0.189	27%	0.27	C	S	.	.	H	α-helix	trans	-78.3	-35.6	176.5	-63.7	-55.3	-160.1	176.3	8.9	113.8	G484 E485 L489 E490 Q491	G484-R487 PolarHBondContact O-N 2.87Å; E485-R487 PolarHBondContact O-N 3.23Å; R487-L489 VanDerWaalsContact C-N 3.29Å; R487-E490 WeakPolarHBondContact CD-OE2 3.25Å; R487-E490 IonicContact CZ-OE2 2.78Å; R487-E490 IonicContact NE-OE2 3.2Å; R487-E490 IonicContact NH1-OE1 3.34Å; R487-E490 IonicContact NH1-OE2 2.86Å; R487-E490 PolarHBondContact NH1-OE2 3.29Å; R487-E490 PolarHBondContact O-N 3.1Å; R487-Q491 PolarHBondContact O-N 3.25Å
488	T	54	Low	61.3	Low	18 Å²	18	55.8 Å²	55.8	11%	0.11	31%	0.309	C	S	.	.	H	α-helix	trans	-67.8	-33.6	174.4	43.8	0	0	0	0	111.3	E485 L492 T505 N748	E485-T488 VanDerWaalsContact CA-OG1 3.25Å; E485-T488 WeakPolarHBondContact CA-OG1 3.38Å; E485-T488 PolarHBondContact O-N 3.3Å; E485-T488 PolarHBondContact O-OG1 3.15Å; T488-L492 VanDerWaalsContact O-CB 3.3Å; T488-L492 WeakPolarHBondContact O-CB 3.17Å; T488-L492 PolarHBondContact O-N 3.14Å; T488-T505 HydrophobicContact CG2-CG2 4.11Å; T488-N748 HydrophobicContact CG2-CB 4.17Å; T488-N748 VanDerWaalsContact CG2-ND2 3.3Å; T488-N748 WeakPolarHBondContact CG2-ND2 3.12Å
489	L	55.7	Low	59.5	Low	98 Å²	98	58.8 Å²	58.8	51%	0.513	33%	0.325	S	S	.	.	H	α-helix	trans	-64.4	-50.3	172.1	-112.6	90.7	0	0	0	111.5	E485 R487 Q491 L492 D493	E485-L489 PolarHBondContact O-N 3.39Å; R487-L489 VanDerWaalsContact C-N 3.29Å; L489-Q491 VanDerWaalsContact C-N 3.28Å; L489-Q491 PolarHBondContact O-N 3.06Å; L489-L492 WeakPolarHBondContact O-CB 3.46Å; L489-L492 PolarHBondContact O-N 3.22Å; L489-L492 VanDerWaalsContact O-N 3.15Å; L489-D493 PolarHBondContact O-N 3.15Å
490	E	60.1	Low	57.8	Low	93 Å²	93	66.2 Å²	66.2	44%	0.435	37%	0.37	S	S	.	.	H	α-helix	trans	-55	-43	177.5	-75.9	170.5	179.1	0	0	112.1	A486 R487 D493 E494	A486-E490 WeakPolarHBondContact O-CG 3.37Å; A486-E490 PolarHBondContact O-N 3.46Å; R487-E490 WeakPolarHBondContact CD-OE2 3.25Å; R487-E490 IonicContact CZ-OE2 2.78Å; R487-E490 IonicContact NE-OE2 3.2Å; R487-E490 IonicContact NH1-OE1 3.34Å; R487-E490 IonicContact NH1-OE2 2.86Å; R487-E490 PolarHBondContact NH1-OE2 3.29Å; R487-E490 PolarHBondContact O-N 3.1Å; E490-D493 PolarHBondContact O-N 3Å; E490-E494 PolarHBondContact O-N 3.33Å; E490-E494 VanDerWaalsContact O-N 3.08Å
491	Q	56.2	Low	56.8	Low	14 Å²	14	72.2 Å²	72.2	7%	0.065	40%	0.402	C	S	.	.	H	α-helix	trans	-73.5	-35.3	178.4	-72.1	-180	-55.5	0	0	113	R487 L489 D493 E494 Y495	R487-Q491 PolarHBondContact O-N 3.25Å; L489-Q491 VanDerWaalsContact C-N 3.28Å; L489-Q491 PolarHBondContact O-N 3.06Å; Q491-D493 PolarHBondContact O-N 2.64Å; Q491-E494 PolarHBondContact O-N 3.2Å; Q491-Y495 VanDerWaalsContact O-CD2 3.28Å; Q491-Y495 WeakPolarHBondContact O-CD2 3.49Å; Q491-Y495 PolarHBondContact O-N 3.49Å
492	L	53.7	Low	56.5	Low	62 Å²	62	75.3 Å²	75.3	33%	0.325	42%	0.416	S	S	.	.	H	α-helix	trans	-59.9	-39.3	173.2	-171.7	79.4	0	0	0	110.7	T488 L489 G496 G497 L499	T488-L492 VanDerWaalsContact O-CB 3.3Å; T488-L492 WeakPolarHBondContact O-CB 3.17Å; T488-L492 PolarHBondContact O-N 3.14Å; L489-L492 WeakPolarHBondContact O-CB 3.46Å; L489-L492 PolarHBondContact O-N 3.22Å; L489-L492 VanDerWaalsContact O-N 3.15Å; L492-G496 PolarHBondContact O-N 3.23Å; L492-G497 PolarHBondContact O-N 2.9Å; L492-L499 HydrophobicContact CB-CD1 4.21Å; L492-L499 HydrophobicContact CD1-CB 4.39Å; L492-L499 HydrophobicContact CD1-CD1 3.53Å; L492-L499 HydrophobicContact CD1-CG 3.79Å; L492-L499 HydrophobicContact CG-CD1 4.5Å
493	D	57.4	Low	56.9	Low	120 Å²	120	74.9 Å²	74.9	64%	0.642	41%	0.412	S	S	*	.	H	α-helix	trans	-66.3	-40.7	175.7	-67.5	-23.4	0	0	0	111.5	L489 E490 Q491 G496	L489-D493 PolarHBondContact O-N 3.15Å; E490-D493 PolarHBondContact O-N 3Å; Q491-D493 PolarHBondContact O-N 2.64Å; D493-G496 PolarHBondContact O-N 3.23Å
494	E	56.8	Low	57.8	Low	135 Å²	135	74.2 Å²	74.2	63%	0.631	41%	0.408	S	S	*	.	H	α-helix	trans	-64.4	-39.6	175.5	-76.3	176.9	178.8	0	0	113.5	E490 Q491 G496	E490-E494 PolarHBondContact O-N 3.33Å; E490-E494 VanDerWaalsContact O-N 3.08Å; Q491-E494 PolarHBondContact O-N 3.2Å; E494-G496 VanDerWaalsContact C-N 3.28Å; E494-G496 PolarHBondContact O-N 3.37Å
495	Y	55	Low	59	Low	149 Å²	149	73.8 Å²	73.8	58%	0.584	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.7	7.6	180	-77	-78	0	0	0	114.1	Q491 L499	Q491-Y495 VanDerWaalsContact O-CD2 3.28Å; Q491-Y495 WeakPolarHBondContact O-CD2 3.49Å; Q491-Y495 PolarHBondContact O-N 3.49Å; Y495-L499 HydrophobicContact CD2-CD2 3.88Å; Y495-L499 HydrophobicContact CG-CD2 4.12Å
496	G	49.2	Very low	60.3	Low	69 Å²	69	73.6 Å²	73.6	71%	0.711	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.1	25.5	173.6	0	0	0	0	0	114.9	L492 D493 E494	L492-G496 PolarHBondContact O-N 3.23Å; D493-G496 PolarHBondContact O-N 3.23Å; E494-G496 VanDerWaalsContact C-N 3.28Å; E494-G496 PolarHBondContact O-N 3.37Å
497	G	48.1	Very low	61.9	Low	45 Å²	45	72.6 Å²	72.6	46%	0.464	39%	0.389	S	S	.	.	T	Hydrogen-bonded Turn	trans	93.5	-6.1	168.1	0	0	0	0	0	116.6	L492	L492-G497 PolarHBondContact O-N 2.9Å
498	E	47.6	Very low	63.2	Low	175 Å²	175	70.4 Å²	70.4	82%	0.818	38%	0.383	S	S	*	.			trans	-130.2	119.7	175.6	-70.4	-174.1	176.3	0	0	110.8
499	L	53.1	Low	64.7	Low	64 Å²	64	69.6 Å²	69.6	34%	0.335	38%	0.378	S	S	.	.			trans	-104	131.6	171.9	-74	161.2	0	0	0	109.1	L492 Y495 V503	L492-L499 HydrophobicContact CB-CD1 4.21Å; L492-L499 HydrophobicContact CD1-CB 4.39Å; L492-L499 HydrophobicContact CD1-CD1 3.53Å; L492-L499 HydrophobicContact CD1-CG 3.79Å; L492-L499 HydrophobicContact CG-CD1 4.5Å; Y495-L499 HydrophobicContact CD2-CD2 3.88Å; Y495-L499 HydrophobicContact CG-CD2 4.12Å; L499-V503 HydrophobicContact CD1-CG2 3.7Å; L499-V503 HydrophobicContact CD2-CG2 3.61Å; L499-V503 HydrophobicContact CG-CG2 4.26Å
500	T	52.6	Low	66.4	Low	156 Å²	156	65 Å²	65	96%	0.957	35%	0.353	S	S	*	.	S	Bend	trans	-83.3	-18.3	176.7	53.1	0	0	0	0	113.4
501	D	61.4	Low	67.8	Low	125 Å²	125	61.9 Å²	61.9	67%	0.668	34%	0.339	S	S	*	.	S	Bend	trans	-146.2	166.2	-178	-151.8	-10.8	0	0	0	111.5
502	F	67	Low	69.2	Low	90 Å²	90	62.3 Å²	62.3	40%	0.395	35%	0.345	S	S	.	.			trans	-69.4	134.4	177.3	-66.8	-64.5	0	0	0	111.4	P747 D751 N755	F502-P747 HydrophobicContact CB-CB 3.62Å; F502-P747 HydrophobicContact CG-CB 4.38Å; F502-D751 HydrophobicContact CD1-CB 3.74Å; F502-D751 HydrophobicContact CE1-CB 3.79Å; F502-N755 HydrophobicContact CE2-CB 4.29Å; F502-N755 HydrophobicContact CZ-CB 3.67Å
503	V	72.4	Confident	70.9	Confident	23 Å²	23	59.8 Å²	59.8	14%	0.139	33%	0.332	C	S	.	.			trans	-89.7	139.4	177.6	-162.9	0	0	0	0	110.5	L499 T505 N748	L499-V503 HydrophobicContact CD1-CG2 3.7Å; L499-V503 HydrophobicContact CD2-CG2 3.61Å; L499-V503 HydrophobicContact CG-CG2 4.26Å; V503-T505 PolarHBondContact O-N 3.22Å; V503-N748 PolarHBondContact O-N 2.87Å
504	S	82.6	Confident	72.4	Confident	9 Å²	9	54.1 Å²	54.1	6%	0.063	30%	0.301	C	S	.	.			trans	-77.3	115.9	172.7	-179.9	0	0	0	0	110.6	A506 K507 G508 P746	S504-A506 PolarHBondContact O-N 2.99Å; S504-A506 PolarHBondContact OG-N 3.49Å; S504-K507 WeakPolarHBondContact O-CB 3.33Å; S504-K507 PolarHBondContact O-N 3.27Å; S504-K507 PolarHBondContact OG-N 3.02Å; S504-G508 PolarHBondContact O-N 3.39Å; S504-P746 WeakPolarHBondContact CB-O 2.92Å; S504-P746 PolarHBondContact OG-O 3.22Å
505	T	82	Confident	73.8	Confident	2 Å²	2	52 Å²	52	1%	0.012	29%	0.292	C	S	.	.	H	α-helix	trans	-63.2	-30.6	174.2	47.6	0	0	0	0	112.1	T488 V503 V509 N748	T488-T505 HydrophobicContact CG2-CG2 4.11Å; V503-T505 PolarHBondContact O-N 3.22Å; T505-V509 WeakPolarHBondContact O-CG2 3.31Å; T505-V509 PolarHBondContact O-N 3.37Å; T505-N748 HydrophobicContact CG2-CB 3.73Å
506	A	86.9	Confident	75.1	Confident	1 Å²	1	51.7 Å²	51.7	1%	0.008	29%	0.293	C	S	.	.	H	α-helix	trans	-65.2	-46.9	173.7	0	0	0	0	0	110.9	F449 L453 S504 G508 V509 F510	F449-A506 HydrophobicContact CD2-CB 3.83Å; F449-A506 WeakPolarHBondContact CD2-O 3.44Å; F449-A506 HydrophobicContact CE2-CB 3.74Å; F449-A506 WeakPolarHBondContact CE2-O 3.41Å; F449-A506 HydrophobicContact CG-CB 4.38Å; F449-A506 HydrophobicContact CZ-CB 4.22Å; L453-A506 HydrophobicContact CD2-CB 4.31Å; S504-A506 PolarHBondContact O-N 2.99Å; S504-A506 PolarHBondContact OG-N 3.49Å; A506-G508 PolarHBondContact O-N 3.11Å; A506-V509 PolarHBondContact O-N 2.74Å; A506-F510 PolarHBondContact O-N 3.21Å
507	K	89.1	Confident	76.6	Confident	26 Å²	26	49.6 Å²	49.6	11%	0.113	27%	0.265	C	S	.	.	H	α-helix	trans	-55.3	-50.8	173.1	176	173.3	-176.5	-175.6	0	111.7	S504 V509 F510 Q511 I738 E739 L745	S504-K507 WeakPolarHBondContact O-CB 3.33Å; S504-K507 PolarHBondContact O-N 3.27Å; S504-K507 PolarHBondContact OG-N 3.02Å; K507-V509 VanDerWaalsContact C-N 3.31Å; K507-V509 PolarHBondContact O-N 3.41Å; K507-F510 PolarHBondContact O-N 3.11Å; K507-F510 VanDerWaalsContact O-N 3.1Å; K507-Q511 VanDerWaalsContact CE-NE2 3.3Å; K507-Q511 HydrophobicContact CG-CG 4.34Å; K507-Q511 PolarHBondContact O-N 3.14Å; K507-I738 HydrophobicContact CB-CG1 4.37Å; K507-I738 HydrophobicContact CG-CG1 3.93Å; K507-E739 WeakPolarHBondContact CE-OE2 3.27Å; K507-E739 IonicContact NZ-OE1 3.85Å; K507-E739 PolarHBondContact NZ-OE1 2.77Å; K507-E739 IonicContact NZ-OE2 3.26Å; K507-E739 PolarHBondContact NZ-OE2 2.8Å; K507-L745 HydrophobicContact CB-CD1 4.08Å
508	G	85.6	Confident	78.1	Confident	5 Å²	5	47.6 Å²	47.6	5%	0.052	24%	0.243	C	C	.	.	H	α-helix	trans	-61.1	-35.2	179.3	0	0	0	0	0	113.7	S504 A506 F510 A512	S504-G508 PolarHBondContact O-N 3.39Å; A506-G508 PolarHBondContact O-N 3.11Å; G508-F510 VanDerWaalsContact C-N 3.35Å; G508-F510 PolarHBondContact O-N 2.85Å; G508-A512 VanDerWaalsContact O-CB 3.28Å; G508-A512 WeakPolarHBondContact O-CB 3.33Å; G508-A512 PolarHBondContact O-N 3.41Å; G508-A512 VanDerWaalsContact O-N 3.08Å
509	V	86.8	Confident	79	Confident	1 Å²	1	41.9 Å²	41.9	1%	0.006	22%	0.221	C	C	.	.	H	α-helix	trans	-62.8	-41	174.2	166.1	0	0	0	0	112.1	A445 R448 F449 Y452 T505 A506 K507 L513	A445-V509 HydrophobicContact CB-CG1 3.89Å; A445-V509 WeakPolarHBondContact O-CG1 3.35Å; R448-V509 HydrophobicContact CB-CG1 4.35Å; R448-V509 HydrophobicContact CB-CG2 4.48Å; F449-V509 HydrophobicContact CB-CG1 4.35Å; Y452-V509 HydrophobicContact CD2-CG2 4.37Å; Y452-V509 HydrophobicContact CE2-CG2 3.76Å; T505-V509 WeakPolarHBondContact O-CG2 3.31Å; T505-V509 PolarHBondContact O-N 3.37Å; A506-V509 PolarHBondContact O-N 2.74Å; K507-V509 VanDerWaalsContact C-N 3.31Å; K507-V509 PolarHBondContact O-N 3.41Å; V509-L513 PolarHBondContact O-N 3.48Å
510	F	90.6	Very high	78.8	Confident	0 Å²	0	41.8 Å²	41.8	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-73.3	-47.5	179.9	-169.4	-83.7	0	0	0	111.3	L413 W414 A417 F449 A506 K507 G508 A512 L513 I514 L734 I738	L413-F510 HydrophobicContact CD1-CE1 4.28Å; L413-F510 HydrophobicContact CD1-CE2 4.4Å; L413-F510 HydrophobicContact CD1-CZ 3.8Å; L413-F510 HydrophobicContact CD2-CD1 4.49Å; L413-F510 HydrophobicContact CD2-CD2 4.23Å; L413-F510 HydrophobicContact CD2-CE1 4.23Å; L413-F510 HydrophobicContact CD2-CE2 3.97Å; L413-F510 HydrophobicContact CD2-CG 4.49Å; L413-F510 HydrophobicContact CD2-CZ 3.96Å; L413-F510 HydrophobicContact CG-CE1 4.42Å; L413-F510 HydrophobicContact CG-CE2 3.84Å; L413-F510 HydrophobicContact CG-CZ 3.75Å; W414-F510 HydrophobicContact CD2-CD2 4.21Å; W414-F510 HydrophobicContact CD2-CE2 4.17Å; W414-F510 AromaticContact CE2-CD2 3.68Å; W414-F510 HydrophobicContact CE3-CE2 4.43Å; W414-F510 HydrophobicContact CH2-CD2 4.03Å; W414-F510 AromaticContact CZ2-CD2 3.59Å; W414-F510 HydrophobicContact CZ2-CD2 3.59Å; W414-F510 HydrophobicContact CZ2-CE2 4.32Å; A417-F510 HydrophobicContact CB-CE2 3.77Å; A417-F510 HydrophobicContact CB-CZ 3.71Å; F449-F510 HydrophobicContact CD2-CB 4.33Å; F449-F510 HydrophobicContact CE2-CB 4.38Å; A506-F510 PolarHBondContact O-N 3.21Å; K507-F510 PolarHBondContact O-N 3.11Å; K507-F510 VanDerWaalsContact O-N 3.1Å; G508-F510 VanDerWaalsContact C-N 3.35Å; G508-F510 PolarHBondContact O-N 2.85Å; F510-A512 PolarHBondContact O-N 3.5Å; F510-L513 WeakPolarHBondContact O-CB 3.46Å; F510-L513 PolarHBondContact O-N 3.03Å; F510-L513 VanDerWaalsContact O-N 3.08Å; F510-I514 HydrophobicContact CD1-CG1 3.88Å; F510-I514 HydrophobicContact CE1-CD1 4.01Å; F510-I514 HydrophobicContact CE1-CG1 3.62Å; F510-I514 HydrophobicContact CZ-CD1 4.22Å; F510-I514 HydrophobicContact CZ-CG1 4.34Å; F510-I514 WeakPolarHBondContact O-CG1 3.26Å; F510-I514 PolarHBondContact O-N 3.38Å; F510-I514 VanDerWaalsContact O-N 3.11Å; F510-L734 HydrophobicContact CE1-CB 4.38Å; F510-L734 HydrophobicContact CZ-CD2 4.44Å; F510-I738 HydrophobicContact CB-CD1 3.82Å; F510-I738 HydrophobicContact CB-CG1 4.02Å; F510-I738 HydrophobicContact CD1-CB 3.67Å; F510-I738 HydrophobicContact CD1-CD1 4.03Å; F510-I738 HydrophobicContact CD1-CG1 3.85Å; F510-I738 HydrophobicContact CD1-CG2 4.02Å; F510-I738 HydrophobicContact CE1-CB 4.08Å; F510-I738 HydrophobicContact CE1-CG2 4.47Å; F510-I738 HydrophobicContact CG-CB 4.43Å; F510-I738 HydrophobicContact CG-CD1 3.93Å; F510-I738 HydrophobicContact CG-CG1 4.16Å
511	Q	89.2	Confident	78.4	Confident	29 Å²	29	36.7 Å²	36.7	14%	0.136	20%	0.204	C	C	.	.	H	α-helix	trans	-55.5	-51	177.9	-74.2	177.2	-41.7	0	0	111.9	K507 L513 I514 E515 L735 I738	K507-Q511 VanDerWaalsContact CE-NE2 3.3Å; K507-Q511 HydrophobicContact CG-CG 4.34Å; K507-Q511 PolarHBondContact O-N 3.14Å; Q511-L513 PolarHBondContact O-N 3.42Å; Q511-I514 PolarHBondContact O-N 3.04Å; Q511-E515 WeakPolarHBondContact O-CG 3.33Å; Q511-E515 PolarHBondContact O-N 3.03Å; Q511-L735 HydrophobicContact CB-CD2 4.48Å; Q511-L735 HydrophobicContact CG-CD2 4.22Å; Q511-I738 HydrophobicContact CG-CG1 4.5Å; Q511-I738 HydrophobicContact CG-CG2 3.69Å
512	A	86.6	Confident	77.5	Confident	22 Å²	22	40.1 Å²	40.1	18%	0.182	22%	0.217	C	C	.	.	H	α-helix	trans	-62	-28	179	0	0	0	0	0	113.3	G508 F510 K516	G508-A512 VanDerWaalsContact O-CB 3.28Å; G508-A512 WeakPolarHBondContact O-CB 3.33Å; G508-A512 PolarHBondContact O-N 3.41Å; G508-A512 VanDerWaalsContact O-N 3.08Å; F510-A512 PolarHBondContact O-N 3.5Å; A512-K516 WeakPolarHBondContact O-CB 3.48Å; A512-K516 PolarHBondContact O-N 2.96Å
513	L	89.1	Confident	76	Confident	10 Å²	10	42.5 Å²	42.5	5%	0.052	23%	0.233	C	C	.	.	H	α-helix	trans	-69.3	-45.1	174.1	178	72.9	0	0	0	110.8	W414 F421 F442 A445 V509 F510 Q511 H517	W414-L513 HydrophobicContact CH2-CD2 3.85Å; W414-L513 HydrophobicContact CZ3-CD2 3.89Å; F421-L513 HydrophobicContact CE2-CD2 4.18Å; F421-L513 HydrophobicContact CE2-CG 4.39Å; F421-L513 HydrophobicContact CZ-CD1 4.26Å; F421-L513 HydrophobicContact CZ-CD2 4.06Å; F421-L513 HydrophobicContact CZ-CG 3.86Å; F442-L513 HydrophobicContact CD2-CD2 3.87Å; F442-L513 HydrophobicContact CE2-CD2 4.42Å; A445-L513 HydrophobicContact CB-CB 4.24Å; A445-L513 HydrophobicContact CB-CD1 4.01Å; A445-L513 HydrophobicContact CB-CD2 3.92Å; A445-L513 HydrophobicContact CB-CG 4.27Å; V509-L513 PolarHBondContact O-N 3.48Å; F510-L513 WeakPolarHBondContact O-CB 3.46Å; F510-L513 PolarHBondContact O-N 3.03Å; F510-L513 VanDerWaalsContact O-N 3.08Å; Q511-L513 PolarHBondContact O-N 3.42Å; L513-H517 PolarHBondContact O-CD2 2.81Å; L513-H517 PolarHBondContact O-N 3.18Å
514	I	89.3	Confident	74.4	Confident	0 Å²	0	45.8 Å²	45.8	0%	0	25%	0.25	C	C	.	.	H	α-helix	trans	-68.1	-47.9	-179.7	-58.9	-48.1	0	0	0	110.7	F421 F510 Q511 K516 H517 F518 K731 L734 L735	F421-I514 HydrophobicContact CE2-CD1 3.73Å; F421-I514 HydrophobicContact CZ-CD1 4.37Å; F510-I514 HydrophobicContact CD1-CG1 3.88Å; F510-I514 HydrophobicContact CE1-CD1 4.01Å; F510-I514 HydrophobicContact CE1-CG1 3.62Å; F510-I514 HydrophobicContact CZ-CD1 4.22Å; F510-I514 HydrophobicContact CZ-CG1 4.34Å; F510-I514 WeakPolarHBondContact O-CG1 3.26Å; F510-I514 PolarHBondContact O-N 3.38Å; F510-I514 VanDerWaalsContact O-N 3.11Å; Q511-I514 PolarHBondContact O-N 3.04Å; I514-K516 VanDerWaalsContact C-N 3.25Å; I514-K516 PolarHBondContact O-N 3.31Å; I514-H517 PolarHBondContact O-N 3.28Å; I514-F518 HydrophobicContact CB-CD2 4.42Å; I514-F518 HydrophobicContact CD1-CD2 4.34Å; I514-F518 HydrophobicContact CD1-CE2 3.85Å; I514-F518 HydrophobicContact CG2-CB 4.47Å; I514-F518 HydrophobicContact CG2-CD2 3.88Å; I514-F518 HydrophobicContact CG2-CE2 4.39Å; I514-F518 HydrophobicContact CG2-CG 4.25Å; I514-F518 WeakPolarHBondContact O-CB 3.45Å; I514-F518 VanDerWaalsContact O-CD2 3.27Å; I514-F518 WeakPolarHBondContact O-CD2 3.43Å; I514-F518 PolarHBondContact O-N 3.09Å; I514-K731 HydrophobicContact CG2-CG 3.92Å; I514-L734 HydrophobicContact CD1-CB 4.24Å; I514-L734 HydrophobicContact CD1-CD1 3.68Å; I514-L734 HydrophobicContact CG1-CB 4.2Å; I514-L734 HydrophobicContact CG1-CD1 4.5Å; I514-L734 HydrophobicContact CG2-CB 4.34Å; I514-L735 HydrophobicContact CB-CD2 4.2Å; I514-L735 HydrophobicContact CG2-CD2 4.12Å; I514-L735 HydrophobicContact CG2-CG 4.04Å
515	E	86	Confident	72.1	Confident	92 Å²	92	54 Å²	54	43%	0.43	29%	0.285	S	S	.	.	H	α-helix	trans	-60.2	-36.8	-178.9	-72.4	170.2	169.7	0	0	112.8	Q511	Q511-E515 WeakPolarHBondContact O-CG 3.33Å; Q511-E515 PolarHBondContact O-N 3.03Å
516	K	82.5	Confident	69.7	Low	141 Å²	141	59.9 Å²	59.9	61%	0.613	32%	0.315	S	S	*	.	H	α-helix	trans	-73.1	-33.4	-179.3	-172.8	175.8	-173.6	-176.1	0	114.1	Q441 A512 I514	Q441-K516 VanDerWaalsContact OE1-CE 3.27Å; A512-K516 WeakPolarHBondContact O-CB 3.48Å; A512-K516 PolarHBondContact O-N 2.96Å; I514-K516 VanDerWaalsContact C-N 3.25Å; I514-K516 PolarHBondContact O-N 3.31Å
517	H	79.7	Confident	67.1	Low	26 Å²	26	63 Å²	63	12%	0.12	34%	0.34	C	S	.	.	H	α-helix	trans	-105	-17.1	-172.4	-73.3	-61	0	0	0	114.3	F421 Q441 L513 I514 P519	F421-H517 HydrophobicContact CE1-CB 3.93Å; F421-H517 HydrophobicContact CZ-CB 4.12Å; Q441-H517 PolarHBondContact OE1-NE2 2.86Å; L513-H517 PolarHBondContact O-CD2 2.81Å; L513-H517 PolarHBondContact O-N 3.18Å; I514-H517 PolarHBondContact O-N 3.28Å; H517-P519 WeakPolarHBondContact O-CD 3.36Å
518	F	79.7	Confident	64.2	Low	2 Å²	2	66.3 Å²	66.3	1%	0.009	36%	0.358	C	S	.	.	S	Bend	trans	-106.8	106.4	177.1	-65.3	-107.8	0	0	0	108.9	F421 V424 I514 S520 V727 V730 K731 L734	F421-F518 AromaticContact CD2-CE2 3.9Å; F421-F518 HydrophobicContact CD2-CE2 3.9Å; F421-F518 AromaticContact CD2-CZ 3.91Å; F421-F518 HydrophobicContact CD2-CZ 3.91Å; F421-F518 HydrophobicContact CE1-CE2 4.21Å; F421-F518 AromaticContact CE2-CE2 3.46Å; F421-F518 HydrophobicContact CE2-CE2 3.46Å; F421-F518 VanDerWaalsContact CE2-CE2 3.46Å; F421-F518 AromaticContact CE2-CZ 3.95Å; F421-F518 HydrophobicContact CE2-CZ 3.95Å; F421-F518 HydrophobicContact CG-CE2 4.48Å; F421-F518 HydrophobicContact CG-CZ 4.39Å; F421-F518 HydrophobicContact CZ-CD2 4.49Å; F421-F518 AromaticContact CZ-CE2 3.61Å; F421-F518 HydrophobicContact CZ-CE2 3.61Å; F421-F518 HydrophobicContact CZ-CZ 4.4Å; V424-F518 HydrophobicContact CB-CE1 4.04Å; V424-F518 HydrophobicContact CG1-CD1 4.4Å; V424-F518 HydrophobicContact CG1-CE1 4.25Å; V424-F518 HydrophobicContact CG2-CD1 3.97Å; V424-F518 HydrophobicContact CG2-CE1 3.42Å; V424-F518 VanDerWaalsContact CG2-CE1 3.42Å; V424-F518 HydrophobicContact CG2-CZ 4.3Å; I514-F518 HydrophobicContact CB-CD2 4.42Å; I514-F518 HydrophobicContact CD1-CD2 4.34Å; I514-F518 HydrophobicContact CD1-CE2 3.85Å; I514-F518 HydrophobicContact CG2-CB 4.47Å; I514-F518 HydrophobicContact CG2-CD2 3.88Å; I514-F518 HydrophobicContact CG2-CE2 4.39Å; I514-F518 HydrophobicContact CG2-CG 4.25Å; I514-F518 WeakPolarHBondContact O-CB 3.45Å; I514-F518 VanDerWaalsContact O-CD2 3.27Å; I514-F518 WeakPolarHBondContact O-CD2 3.43Å; I514-F518 PolarHBondContact O-N 3.09Å; F518-S520 PolarHBondContact O-N 3.19Å; F518-V727 HydrophobicContact CB-CG1 4.47Å; F518-V727 HydrophobicContact CD1-CG1 4.06Å; F518-V730 HydrophobicContact CD1-CG1 4.28Å; F518-V730 HydrophobicContact CE1-CB 4.25Å; F518-V730 HydrophobicContact CE1-CG1 3.52Å; F518-V730 HydrophobicContact CZ-CG1 4.29Å; F518-K731 HydrophobicContact CB-CB 3.76Å; F518-K731 HydrophobicContact CB-CD 3.78Å; F518-K731 HydrophobicContact CB-CG 3.73Å; F518-K731 HydrophobicContact CD1-CB 4.2Å; F518-K731 HydrophobicContact CG-CB 4.23Å; F518-K731 HydrophobicContact CG-CG 4.46Å; F518-K731 WeakPolarHBondContact O-CD 3.44Å; F518-K731 WeakPolarHBondContact O-CE 2.97Å; F518-K731 PolarHBondContact O-NZ 2.92Å; F518-L734 HydrophobicContact CE1-CD1 4.28Å; F518-L734 HydrophobicContact CE2-CD1 4.3Å; F518-L734 HydrophobicContact CZ-CD1 3.82Å
519	P	66	Low	61.6	Low	55 Å²	55	70.2 Å²	70.2	36%	0.357	38%	0.384	S	S	.	.	P	Polyproline II helix	trans	-60.7	136.8	-178.1	20.4	-30.8	0	0	0	112.2	H517 V727	H517-P519 WeakPolarHBondContact O-CD 3.36Å; P519-V727 HydrophobicContact CG-CG1 4.19Å
520	S	49.7	Very low	58.9	Low	63 Å²	63	75.2 Å²	75.2	44%	0.441	41%	0.414	S	S	.	.	P	Polyproline II helix	trans	-85.9	156.5	163.8	-62.9	0	0	0	0	109	F518 K731	F518-S520 PolarHBondContact O-N 3.19Å; S520-K731 PolarHBondContact OG-NZ 3.03Å
521	G	43.7	Very low	56.1	Low	48 Å²	48	81.7 Å²	81.7	50%	0.495	45%	0.454	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.9	154.3	-169.7	0	0	0	0	0	117.9	N523	G521-N523 PolarHBondContact O-N 3.04Å
522	E	42.1	Very low	53.2	Low	198 Å²	198	83.9 Å²	83.9	93%	0.925	48%	0.484	S	S	*	.	T	Hydrogen-bonded Turn	trans	37.1	-11.5	171.3	-63.2	-164.1	156.8	0	0	124.8
523	N	35.9	Very low	50.2	Low	140 Å²	140	86.3 Å²	86.3	75%	0.749	50%	0.504	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114.2	-3.8	175	-86	-27.9	0	0	0	116.9	G521	G521-N523 PolarHBondContact O-N 3.04Å
524	D	39.1	Very low	47.1	Very low	91 Å²	91	96.1 Å²	96.1	49%	0.487	55%	0.546	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.2	-2.9	-176.6	-75.7	-21.1	0	0	0	115.4	I526 A527	D524-I526 PolarHBondContact O-N 3.01Å; D524-I526 VanDerWaalsContact O-N 3.08Å; D524-A527 WeakPolarHBondContact O-CB 3.24Å; D524-A527 PolarHBondContact O-N 3.22Å
525	F	34.2	Very low	43.9	Very low	182 Å²	182	106.5 Å²	106.5	80%	0.798	59%	0.586	S	S	*	*	H	α-helix	trans	-64	-17.3	175	-134.3	-85.3	0	0	0	112.4	A527	F525-A527 VanDerWaalsContact C-N 3.34Å
526	I	32.2	Very low	41.1	Very low	125 Å²	125	107.7 Å²	107.7	64%	0.641	60%	0.604	S	S	*	*	H	α-helix	trans	-74.3	-24.1	171.8	-60.4	-178.6	0	0	0	111.5	D524 M528 S529	D524-I526 PolarHBondContact O-N 3.01Å; D524-I526 VanDerWaalsContact O-N 3.08Å; I526-M528 PolarHBondContact O-N 3.11Å; I526-S529 PolarHBondContact O-OG 3.34Å
527	A	32.5	Very low	38.3	Very low	66 Å²	66	109.2 Å²	109.2	55%	0.545	61%	0.613	S	S	.	*	H	α-helix	trans	-73.9	-25.2	-179.4	0	0	0	0	0	113.8	D524 F525	D524-A527 WeakPolarHBondContact O-CB 3.24Å; D524-A527 PolarHBondContact O-N 3.22Å; F525-A527 VanDerWaalsContact C-N 3.34Å
528	M	28.5	Very low	35.7	Very low	96 Å²	96	112.8 Å²	112.8	47%	0.473	64%	0.642	S	S	.	*	H	α-helix	trans	-77.2	-22.6	177.6	-99.6	-154.4	-167.2	0	0	114.2	L428 I526	L428-M528 HydrophobicContact CD1-CE 4.44Å; I526-M528 PolarHBondContact O-N 3.11Å
529	S	30	Very low	33	Very low	88 Å²	88	119.4 Å²	119.4	62%	0.615	68%	0.682	S	S	*	*	H	α-helix	trans	-94.3	-7.3	-176	65.1	0	0	0	0	114.8	I526	I526-S529 PolarHBondContact O-OG 3.34Å
530	V	31.1	Very low	31.1	Very low	105 Å²	105	122.4 Å²	122.4	64%	0.636	70%	0.704	S	S	*	*	S	Bend	trans	-91.1	-6.2	-179.1	-177.6	0	0	0	0	113	G532	V530-G532 PolarHBondContact O-N 3.1Å
531	V	31.2	Very low	29.9	Very low	137 Å²	137	127.4 Å²	127.4	83%	0.83	72%	0.721	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.7	64	169.9	-168.2	0	0	0	0	109.9
532	G	27.8	Very low	29	Very low	75 Å²	75	137.3 Å²	137.3	77%	0.773	74%	0.743	S	S	*	*	T	Hydrogen-bonded Turn	trans	159.3	17.7	174.8	0	0	0	0	0	119.1	V530	V530-G532 PolarHBondContact O-N 3.1Å
533	A	24.7	Very low	28.4	Very low	73 Å²	73	135.8 Å²	135.8	60%	0.603	74%	0.736	S	S	*	*			trans	-150.8	108.5	169.5	0	0	0	0	0	111.9	R535	A533-R535 PolarHBondContact O-N 3.2Å
534	K	23.3	Very low	28	Very low	215 Å²	215	134 Å²	134	94%	0.935	74%	0.741	S	S	*	*			trans	-55.1	101.4	163.4	-70.2	174.1	176.2	175.5	0	108.5
535	R	22.5	Very low	27.4	Very low	219 Å²	219	138.4 Å²	138.4	83%	0.826	76%	0.755	S	S	*	*			trans	-113.3	97.7	162.8	-100	-177.8	171.7	175.7	-1.6	109.2	A533 Q537	A533-R535 PolarHBondContact O-N 3.2Å; R535-Q537 PolarHBondContact O-N 2.74Å
536	S	26.4	Very low	26.9	Very low	116 Å²	116	141.6 Å²	141.6	81%	0.811	76%	0.762	S	S	*	*			trans	-42.6	109.9	149.9	43.6	0	0	0	0	110.4
537	Q	24.3	Very low	26.5	Very low	173 Å²	173	144.3 Å²	144.3	81%	0.808	77%	0.772	S	S	*	*			trans	-137.9	134.3	155.9	-77.3	-165.1	-6	0	0	110.9	R535	R535-Q537 PolarHBondContact O-N 2.74Å
538	S	24.9	Very low	26.3	Very low	102 Å²	102	147.2 Å²	147.2	71%	0.713	78%	0.783	S	S	*	*			trans	-51.2	131.6	-177.8	46.2	0	0	0	0	114.1	S540	S538-S540 PolarHBondContact O-N 3.28Å
539	T	24	Very low	26.3	Very low	141 Å²	141	148.6 Å²	148.6	87%	0.865	80%	0.799	S	S	*	*			trans	-28.5	110.5	147.5	21.1	0	0	0	0	113.5
540	S	24.8	Very low	26.1	Very low	117 Å²	117	151 Å²	151	82%	0.818	81%	0.81	S	S	*	*			trans	-132.1	113	152.7	-81.8	0	0	0	0	108.5	S538	S538-S540 PolarHBondContact O-N 3.28Å
541	Q	25.2	Very low	25.8	Very low	169 Å²	169	155.8 Å²	155.8	79%	0.79	82%	0.822	S	S	*	*			trans	-62.9	130.7	-175.3	-63.1	165.8	-19.5	0	0	111.6
542	R	25.5	Very low	25.3	Very low	255 Å²	255	159.4 Å²	159.4	96%	0.962	83%	0.827	S	S	*	*			trans	-137.6	96.2	152.2	-89.3	-172.1	170.1	174.4	-2.9	109.3
543	H	28	Very low	25.1	Very low	166 Å²	166	161.5 Å²	161.5	77%	0.769	83%	0.83	S	S	*	*			trans	-72.9	119.5	168.3	-81.7	-63.1	0	0	0	110.4
544	A	27.1	Very low	25.1	Very low	104 Å²	104	169.4 Å²	169.4	86%	0.86	84%	0.844	S	S	*	*			trans	-111.8	97.1	159.4	0	0	0	0	0	108.2
545	K	27.7	Very low	25.2	Very low	182 Å²	182	168.9 Å²	168.9	79%	0.791	84%	0.842	S	S	*	*	P	Polyproline II helix	trans	-75.2	122.5	177.7	-77.9	176.3	173.1	175.6	0	110.3
546	R	23.9	Very low	25.2	Very low	249 Å²	249	166.8 Å²	166.8	94%	0.94	84%	0.842	S	S	*	*	P	Polyproline II helix	trans	-91.2	126.5	164.1	-149.7	168.9	171.9	172.9	-4.1	108.1
547	Q	24.1	Very low	25.2	Very low	183 Å²	183	169.5 Å²	169.5	86%	0.855	84%	0.841	S	S	*	*	P	Polyproline II helix	trans	-83.8	132.3	-163.6	-63.9	171.2	-1.2	0	0	111.7
548	V	27	Very low	25.2	Very low	127 Å²	127	165.5 Å²	165.5	77%	0.77	83%	0.832	S	S	*	*			trans	-107.9	130.8	164.6	178.7	0	0	0	0	107.4	T550	V548-T550 PolarHBondContact O-N 2.85Å
549	P	28.8	Very low	25.1	Very low	124 Å²	124	168.5 Å²	168.5	81%	0.805	84%	0.84	S	S	*	*			trans	-84.2	118.6	-164.2	32.5	-31.8	0	0	0	110.9
550	T	26.4	Very low	25.1	Very low	138 Å²	138	166.9 Å²	166.9	85%	0.847	83%	0.834	S	S	*	*			trans	-126.1	142.9	167.1	43.3	0	0	0	0	111.8	V548	V548-T550 PolarHBondContact O-N 2.85Å
551	K	24.1	Very low	25	Very low	207 Å²	207	168.9 Å²	168.9	90%	0.9	84%	0.835	S	S	*	*			trans	-63.1	131.6	-159.7	-73.7	162.8	172	174.6	0	114.2
552	K	21.1	Very low	25	Very low	212 Å²	212	167.6 Å²	167.6	92%	0.922	84%	0.839	S	S	*	*			trans	-7.1	117.3	147.3	-66.9	176.7	175.6	178.2	0	115.7
553	S	24.5	Very low	24.9	Very low	120 Å²	120	163.5 Å²	163.5	84%	0.839	83%	0.831	S	S	*	*			trans	-154.7	111.4	147.9	176.8	0	0	0	0	108.6
554	R	23.2	Very low	24.6	Very low	238 Å²	238	163.6 Å²	163.6	90%	0.898	84%	0.836	S	S	*	*			trans	-55.9	135.7	177.1	-72.9	168.9	167.3	163.3	-6.5	111.2
555	F	26.8	Very low	24.5	Very low	204 Å²	204	164 Å²	164	90%	0.895	83%	0.833	S	S	*	*			trans	-160.7	106.9	136.4	-128.2	-93.6	0	0	0	108.2
556	E	21	Very low	24.2	Very low	176 Å²	176	160 Å²	160	82%	0.822	83%	0.828	S	S	*	*			trans	-78.4	137.1	172.4	-67.7	169.7	147.6	0	0	108.6
557	H	27	Very low	24.1	Very low	173 Å²	173	156.7 Å²	156.7	80%	0.801	82%	0.823	S	S	*	*			trans	-162.8	111.7	142.8	-112.7	-72.3	0	0	0	111.2
558	S	24	Very low	24.2	Very low	88 Å²	88	156.2 Å²	156.2	62%	0.615	83%	0.826	S	S	*	*			trans	21.6	116.3	144	64.5	0	0	0	0	118.6
559	L	22.3	Very low	24	Very low	166 Å²	166	155.7 Å²	155.7	87%	0.869	83%	0.828	S	S	*	*				60.7	110.7	93.7	-68	174.4	0	0	0	114
560	S	24.1	Very low	23.9	Very low	107 Å²	107	157.9 Å²	157.9	75%	0.748	83%	0.832	S	S	*	*				168.6	124.7	105.3	57.9	0	0	0	0	110.5
561	D	23	Very low	23.9	Very low	158 Å²	158	156.2 Å²	156.2	85%	0.845	83%	0.825	S	S	*	*			trans	-47.1	140	166.6	-60.8	-62.5	0	0	0	112.2
562	T	26.4	Very low	23.8	Very low	142 Å²	142	151.5 Å²	151.5	87%	0.871	82%	0.819	S	S	*	*			trans	-127.5	121.6	162	-35.8	0	0	0	0	108.2
563	E	22.5	Very low	24	Very low	170 Å²	170	148.4 Å²	148.4	79%	0.794	81%	0.812	S	S	*	*			trans	-71.1	146.7	-166.5	-64.9	172.3	132.7	0	0	113.8
564	L	22.4	Very low	24	Very low	167 Å²	167	152 Å²	152	87%	0.874	82%	0.815	S	S	*	*			trans	16.7	119.8	131.9	-74.8	150.2	0	0	0	118.7
565	S	24.1	Very low	24.1	Very low	112 Å²	112	149.4 Å²	149.4	78%	0.783	81%	0.811	S	S	*	*			trans	176.5	146.6	139.4	41.7	0	0	0	0	107.8
566	S	21.3	Very low	24.1	Very low	98 Å²	98	144.4 Å²	144.4	69%	0.685	81%	0.807	S	S	*	*			cis	-176.5	137.7	-15.4	41	0	0	0	0	103.4
567	E	22.7	Very low	24.2	Very low	180 Å²	180	144.4 Å²	144.4	84%	0.841	81%	0.811	S	S	*	*			trans	48.3	108.1	146.5	-57.3	-172.2	162.4	0	0	119.7
568	L	26.4	Very low	24.1	Very low	174 Å²	174	139.8 Å²	139.8	91%	0.911	80%	0.803	S	S	*	*			trans	-141.9	108	135.7	-81.4	-179.2	0	0	0	109.5
569	S	22.6	Very low	24.1	Very low	116 Å²	116	143.1 Å²	143.1	81%	0.811	81%	0.814	S	S	*	*			trans	-61.1	127.9	170.1	41.8	0	0	0	0	111
570	L	26.1	Very low	24.2	Very low	170 Å²	170	144.2 Å²	144.2	89%	0.89	81%	0.814	S	S	*	*			trans	-120	109.9	165.4	-81.4	167.8	0	0	0	108.4
571	S	25.5	Very low	24.2	Very low	102 Å²	102	151.5 Å²	151.5	71%	0.713	83%	0.826	S	S	*	*			trans	-58.1	141.9	177	46.7	0	0	0	0	112.4	D573	S571-D573 PolarHBondContact O-N 2.67Å
572	S	23.5	Very low	24.3	Very low	109 Å²	109	148.6 Å²	148.6	76%	0.762	82%	0.824	S	S	*	*			trans	-48	114.2	165.4	46.1	0	0	0	0	113.3
573	D	25.5	Very low	24.2	Very low	146 Å²	146	150.8 Å²	150.8	78%	0.781	82%	0.824	S	S	*	*			trans	-124.5	92.9	155	-90.8	-32.7	0	0	0	108.2	S571 K575	S571-D573 PolarHBondContact O-N 2.67Å; D573-K575 PolarHBondContact O-N 3.3Å; D573-K575 VanDerWaalsContact O-N 3.17Å
574	E	23.4	Very low	24.3	Very low	195 Å²	195	151.3 Å²	151.3	91%	0.911	83%	0.831	S	S	*	*			trans	-65.1	102.8	165.8	-74.2	-176.5	136.1	0	0	109.1
575	K	24.7	Very low	24.4	Very low	184 Å²	184	148.9 Å²	148.9	80%	0.8	83%	0.828	S	S	*	*			trans	-110.6	102.7	160.8	-80.5	-175.4	177.8	175.1	0	109.2	D573 I577	D573-K575 PolarHBondContact O-N 3.3Å; D573-K575 VanDerWaalsContact O-N 3.17Å; K575-I577 PolarHBondContact O-N 3.01Å
576	A	26.6	Very low	24.5	Very low	100 Å²	100	152.5 Å²	152.5	83%	0.826	83%	0.833	S	S	*	*			trans	-55	114.5	169.4	0	0	0	0	0	110.3	A578	A576-A578 PolarHBondContact O-N 3.21Å
577	I	25	Very low	24.6	Very low	176 Å²	176	159.3 Å²	159.3	90%	0.903	84%	0.844	S	S	*	*			trans	-91.5	95	168.1	-63.3	172.5	0	0	0	105.8	K575	K575-I577 PolarHBondContact O-N 3.01Å
578	A	23.7	Very low	24.8	Very low	76 Å²	76	158.7 Å²	158.7	63%	0.628	85%	0.846	S	S	*	*			trans	-110.1	133.9	168.2	0	0	0	0	0	108.9	A576	A576-A578 PolarHBondContact O-N 3.21Å
579	D	24.2	Very low	24.8	Very low	157 Å²	157	156 Å²	156	84%	0.84	84%	0.842	S	S	*	*			trans	70.3	83.4	155	-56	-22.3	0	0	0	119.6
580	E	24.1	Very low	24.8	Very low	189 Å²	189	161.2 Å²	161.2	88%	0.883	84%	0.844	S	S	*	*			trans	-125.4	58.4	158.1	-150.3	179.1	-146.2	0	0	109.5
581	W	24.7	Very low	24.9	Very low	260 Å²	260	160 Å²	160	99%	0.985	84%	0.844	S	S	*	*			trans	-135	36.8	175.7	-87.8	69.8	0	0	0	112.6
582	A	24.7	Very low	24.8	Very low	97 Å²	97	161.5 Å²	161.5	80%	0.802	84%	0.844	S	S	*	*			trans	-137.9	57.4	-179.7	0	0	0	0	0	113.1
583	E	25.5	Very low	25.2	Very low	188 Å²	188	165 Å²	165	88%	0.879	85%	0.853	S	S	*	*			trans	-146.1	87.3	159.8	-78.1	-164.5	162.3	0	0	109
584	L	24.2	Very low	25.1	Very low	182 Å²	182	164.2 Å²	164.2	95%	0.953	85%	0.848	S	S	*	*	S	Bend	trans	-176.5	54.4	158.1	-99	165.1	0	0	0	110.2
585	S	24.3	Very low	25.1	Very low	116 Å²	116	163.6 Å²	163.6	81%	0.811	85%	0.846	S	S	*	*			trans	-157.4	49.8	170.2	66.9	0	0	0	0	114.2
586	E	24.8	Very low	25.4	Very low	187 Å²	187	159.8 Å²	159.8	87%	0.874	85%	0.848	S	S	*	*			trans	-144.4	91.4	168.7	-74.1	-164.5	164.1	0	0	112.2
587	R	24.3	Very low	25.3	Very low	242 Å²	242	161 Å²	161	91%	0.913	85%	0.851	S	S	*	*			trans	-167.8	74.9	148.7	-123.9	179.7	-77.9	179.4	-5.5	110.5
588	N	26.4	Very low	25.4	Very low	167 Å²	167	156.3 Å²	156.3	89%	0.893	85%	0.846	S	S	*	*			trans	-126.2	107.1	155.6	-100.8	-7.7	0	0	0	107.9
589	S	27.4	Very low	25.5	Very low	118 Å²	118	158.4 Å²	158.4	83%	0.825	86%	0.856	S	S	*	*			trans	-65	130.4	-177.8	43.7	0	0	0	0	111.6
590	R	23.1	Very low	25.6	Very low	225 Å²	225	158.8 Å²	158.8	85%	0.849	86%	0.858	S	S	*	*			trans	-56.5	134.9	172.9	-67.4	166.8	165.7	153.6	-4.2	112.8
591	T	28	Very low	25.7	Very low	144 Å²	144	153.4 Å²	153.4	88%	0.883	85%	0.853	S	S	*	*			trans	-140.9	102.1	143.2	43.1	0	0	0	0	108
592	N	22.4	Very low	25.7	Very low	134 Å²	134	149.2 Å²	149.2	72%	0.717	85%	0.85	S	S	*	*			trans	-73.9	130	170.9	-76.1	-14.9	0	0	0	109.7
593	L	31.3	Very low	25.7	Very low	182 Å²	182	148.1 Å²	148.1	95%	0.953	85%	0.848	S	S	*	*			trans	-138.2	127.6	150.1	-76.6	176.3	0	0	0	108.5
594	N	24.8	Very low	25.8	Very low	129 Å²	129	144.1 Å²	144.1	69%	0.69	84%	0.841	S	S	*	*			trans	-78.7	150.2	-165	-74.8	-12.3	0	0	0	114.2
595	E	23.7	Very low	25.8	Very low	183 Å²	183	143.1 Å²	143.1	86%	0.855	84%	0.837	S	S	*	*			trans	52.1	109.5	135.3	-63.5	175.5	175.5	0	0	119.9
596	A	29.6	Very low	25.8	Very low	103 Å²	103	146.2 Å²	146.2	85%	0.851	84%	0.838	S	S	*	*			trans	-145.5	105.6	141.8	0	0	0	0	0	109
597	S	25.5	Very low	25.8	Very low	126 Å²	126	146.1 Å²	146.1	88%	0.881	84%	0.838	S	S	*	*			trans	-66.5	140.6	168.9	49.8	0	0	0	0	111.7
598	G	25.8	Very low	25.6	Very low	77 Å²	77	140.1 Å²	140.1	79%	0.794	83%	0.833	S	S	*	*			trans	169.9	97.2	165.2	0	0	0	0	0	116.7
599	S	26.8	Very low	25.5	Very low	121 Å²	121	137.7 Å²	137.7	85%	0.846	83%	0.829	S	S	*	*			trans	80.5	111.9	144.1	-157.3	0	0	0	0	120.5
600	D	25.3	Very low	25.2	Very low	165 Å²	165	137 Å²	137	88%	0.882	82%	0.824	S	S	*	*			trans	-46.6	151.2	159.9	-54.7	-63.7	0	0	0	114.8
601	G	26.4	Very low	25.1	Very low	76 Å²	76	131.9 Å²	131.9	78%	0.784	82%	0.823	S	S	*	*			trans	-179	82.9	174.4	0	0	0	0	0	113.8
602	D	26.5	Very low	24.8	Very low	172 Å²	172	131.2 Å²	131.2	92%	0.92	81%	0.81	S	S	*	*			trans	60.1	121	156.1	-96.7	-23.5	0	0	0	122.5
603	G	23.7	Very low	24.8	Very low	74 Å²	74	131 Å²	131	76%	0.763	80%	0.804	S	S	*	*			trans	-76.7	132.7	174.5	0	0	0	0	0	112.7
604	S	27.6	Very low	24.5	Very low	104 Å²	104	126 Å²	126	73%	0.727	78%	0.782	S	S	*	*			trans	-108	113	151.3	56.8	0	0	0	0	106.8	E606	S604-E606 PolarHBondContact O-N 3.01Å
605	D	24.3	Very low	24.4	Very low	160 Å²	160	129.5 Å²	129.5	86%	0.856	79%	0.785	S	S	*	*			trans	-52.8	97.4	179.2	-66	-51.9	0	0	0	111.5	E607	D605-E607 PolarHBondContact O-N 2.85Å; D605-E607 VanDerWaalsContact O-N 3.13Å
606	E	25	Very low	24.5	Very low	181 Å²	181	128 Å²	128	85%	0.846	78%	0.783	S	S	*	*			trans	-75	96	164.7	-72.3	-161.5	165	0	0	108.1	S604 S608	S604-E606 PolarHBondContact O-N 3.01Å; E606-S608 PolarHBondContact O-N 2.92Å
607	E	23.3	Very low	24.3	Very low	185 Å²	185	128.8 Å²	128.8	86%	0.864	78%	0.782	S	S	*	*			trans	-55.4	110.7	169	-74.2	-166.1	162.6	0	0	110.1	D605 S609	D605-E607 PolarHBondContact O-N 2.85Å; D605-E607 VanDerWaalsContact O-N 3.13Å; E607-S609 PolarHBondContact O-N 3.39Å
608	S	21.3	Very low	24.2	Very low	116 Å²	116	131.2 Å²	131.2	81%	0.811	78%	0.777	S	S	*	*			trans	-58.2	88.5	175.7	45.8	0	0	0	0	111.9	E606 S610	E606-S608 PolarHBondContact O-N 2.92Å; S608-S610 PolarHBondContact O-N 3.23Å
609	S	22.8	Very low	24.2	Very low	116 Å²	116	133.2 Å²	133.2	81%	0.811	77%	0.77	S	S	*	*			trans	-73	95.9	168.9	-177.3	0	0	0	0	109.5	E607 S611	E607-S609 PolarHBondContact O-N 3.39Å; S609-S611 PolarHBondContact O-N 3.11Å
610	S	21.5	Very low	24.1	Very low	103 Å²	103	131.7 Å²	131.7	72%	0.72	76%	0.757	S	S	*	*			trans	-56.5	120.7	174.6	50.2	0	0	0	0	111.3	S608 E612	S608-S610 PolarHBondContact O-N 3.23Å; S610-E612 PolarHBondContact O-N 3.29Å; S610-E612 VanDerWaalsContact O-N 3.14Å
611	S	21.2	Very low	24.2	Very low	118 Å²	118	130.7 Å²	130.7	83%	0.825	75%	0.745	S	S	*	*			trans	-69.2	99	-178.8	54	0	0	0	0	111.5	S609	S609-S611 PolarHBondContact O-N 3.11Å
612	E	21.8	Very low	23.9	Very low	130 Å²	130	134.9 Å²	134.9	61%	0.607	75%	0.746	S	S	*	*			trans	-93.9	131.5	169	-76.1	-156.6	159.4	0	0	112.7	S610 V614	S610-E612 PolarHBondContact O-N 3.29Å; S610-E612 VanDerWaalsContact O-N 3.14Å; E612-V614 PolarHBondContact O-N 3.05Å
613	E	23	Very low	23.6	Very low	129 Å²	129	135.8 Å²	135.8	60%	0.603	75%	0.747	S	S	*	*			trans	-57.7	115.1	-170.4	-54.8	-171.4	143.8	0	0	113.8	R300 R615	R300-E613 IonicContact NH2-OE1 3.43Å; E613-R615 IonicContact OE2-NH2 3.27Å
614	V	25.2	Very low	23.4	Very low	79 Å²	79	136.1 Å²	136.1	48%	0.479	75%	0.75	S	S	.	*			trans	-94.4	101.6	171.7	-174.2	0	0	0	0	109.2	E612 D616	E612-V614 PolarHBondContact O-N 3.05Å; V614-D616 VanDerWaalsContact C-N 3.34Å; V614-D616 HydrophobicContact CG1-CB 4.38Å; V614-D616 PolarHBondContact O-N 2.97Å
615	R	23.2	Very low	23.1	Very low	201 Å²	201	139 Å²	139	76%	0.758	76%	0.757	S	S	*	*			trans	-85.9	66.3	174.3	-66.5	-174.5	-176.6	-176.6	3.2	111.4	E613 S617	E613-R615 IonicContact OE2-NH2 3.27Å; R615-S617 VanDerWaalsContact C-N 3.33Å; R615-S617 PolarHBondContact O-N 3Å; R615-S617 VanDerWaalsContact O-N 3.17Å
616	D	25.4	Very low	22.9	Very low	153 Å²	153	138.5 Å²	138.5	82%	0.818	76%	0.755	S	S	*	*			trans	-87.1	73.2	169.9	-88.6	-11.9	0	0	0	111	V614	V614-D616 VanDerWaalsContact C-N 3.34Å; V614-D616 HydrophobicContact CG1-CB 4.38Å; V614-D616 PolarHBondContact O-N 2.97Å
617	S	25.2	Very low	22.7	Very low	118 Å²	118	135.1 Å²	135.1	83%	0.825	75%	0.751	S	S	*	*			trans	-168.3	52.2	148.6	77.8	0	0	0	0	110.5	R615 N619	R615-S617 VanDerWaalsContact C-N 3.33Å; R615-S617 PolarHBondContact O-N 3Å; R615-S617 VanDerWaalsContact O-N 3.17Å; S617-N619 PolarHBondContact O-N 3.22Å
618	F	23.5	Very low	22.7	Very low	177 Å²	177	134 Å²	134	78%	0.776	75%	0.751	S	S	*	*			trans	-88.5	100.9	171.2	-172.4	-104.6	0	0	0	108.6	P620	F618-P620 HydrophobicContact CD1-CB 4.35Å; F618-P620 HydrophobicContact CD1-CG 4.02Å; F618-P620 HydrophobicContact CE1-CB 3.99Å; F618-P620 HydrophobicContact CE1-CG 4.15Å; F618-P620 WeakPolarHBondContact O-CD 3.43Å
619	N	26.2	Very low	22.7	Very low	120 Å²	120	138 Å²	138	64%	0.642	76%	0.757	S	S	*	*			trans	-89.7	106.5	174.5	-156.4	18.2	0	0	0	108	S617 F621	S617-N619 PolarHBondContact O-N 3.22Å; N619-F621 PolarHBondContact O-N 3.09Å; N619-F621 WeakPolarHBondContact OD1-CD2 3.47Å
620	P	23.9	Very low	22.6	Very low	88 Å²	88	135.8 Å²	135.8	57%	0.571	75%	0.752	S	S	*	*			trans	-75.8	8.6	-163.9	-14.6	30.7	0	0	0	116.1	F618 M622	F618-P620 HydrophobicContact CD1-CB 4.35Å; F618-P620 HydrophobicContact CD1-CG 4.02Å; F618-P620 HydrophobicContact CE1-CB 3.99Å; F618-P620 HydrophobicContact CE1-CG 4.15Å; F618-P620 WeakPolarHBondContact O-CD 3.43Å; P620-M622 PolarHBondContact O-N 2.88Å
621	F	26.8	Very low	22.7	Very low	145 Å²	145	141 Å²	141	64%	0.636	76%	0.762	S	S	*	*			trans	-95.3	29.3	-167.2	-60.5	-79.9	0	0	0	114.7	A486 N619	A486-F621 HydrophobicContact CB-CE1 4.38Å; N619-F621 PolarHBondContact O-N 3.09Å; N619-F621 WeakPolarHBondContact OD1-CD2 3.47Å
622	M	21.3	Very low	22.8	Very low	163 Å²	163	143 Å²	143	80%	0.803	76%	0.763	S	S	*	*			trans	-121.4	69.9	-176.2	-64.3	-76	-74.2	0	0	110.9	P620	P620-M622 PolarHBondContact O-N 2.88Å
623	M	20	Very low	23	Very low	192 Å²	192	143.7 Å²	143.7	95%	0.946	78%	0.776	S	S	*	*			trans	-147	121.6	158.6	-71.4	-57.7	179.1	0	0	107.8
624	G	19.8	Very low	23.2	Very low	80 Å²	80	146.1 Å²	146.1	83%	0.825	79%	0.785	S	S	*	*			trans	-96.1	172.1	-178.9	0	0	0	0	0	112.7
625	D	20.5	Very low	23.2	Very low	165 Å²	165	149.5 Å²	149.5	88%	0.882	80%	0.8	S	S	*	*			trans	-150.4	143.1	148.6	-145.2	-6.6	0	0	0	109.2
626	D	20.2	Very low	23.4	Very low	149 Å²	149	149.4 Å²	149.4	80%	0.797	81%	0.805	S	S	*	*			trans	-87.8	157.9	-175.3	-76.3	-50.8	0	0	0	111.3
627	S	21.9	Very low	23.5	Very low	110 Å²	110	147.1 Å²	147.1	77%	0.769	80%	0.8	S	S	*	*			trans	103.2	137.3	170	75.6	0	0	0	0	114.8
628	D	22	Very low	23.6	Very low	161 Å²	161	149 Å²	149	86%	0.861	80%	0.801	S	S	*	*			cis	-154.4	147.3	7.4	-107.9	-27.1	0	0	0	110.1
629	E	20.8	Very low	23.7	Very low	200 Å²	200	150.5 Å²	150.5	94%	0.935	80%	0.803	S	S	*	*			trans	-71.9	143.7	177.8	-70.2	-179.3	137.9	0	0	113.2
630	G	21.3	Very low	23.7	Very low	70 Å²	70	152.3 Å²	152.3	72%	0.722	81%	0.811	S	S	*	*			trans	132.2	84.8	135.5	0	0	0	0	0	117.9
631	K	24	Very low	23.7	Very low	213 Å²	213	154.8 Å²	154.8	93%	0.926	82%	0.82	S	S	*	*			trans	-150.9	78.5	149.3	-73.9	-169.2	-179.1	162.4	0	111.1
632	L	22.8	Very low	23.7	Very low	160 Å²	160	159 Å²	159	84%	0.838	83%	0.833	S	S	*	*			trans	-136.1	69.2	175.7	-161.7	83.7	0	0	0	112.4
633	T	25.6	Very low	24.1	Very low	145 Å²	145	155.4 Å²	155.4	89%	0.89	83%	0.829	S	S	*	*	S	Bend	trans	-143.8	8.7	169	35.7	0	0	0	0	115.6
634	F	28.7	Very low	24.5	Very low	179 Å²	179	153.9 Å²	153.9	79%	0.785	83%	0.825	S	S	*	*	S	Bend	trans	-96.7	-21.5	179.9	-164.4	-109.3	0	0	0	115	K636	F634-K636 PolarHBondContact O-N 2.99Å
635	L	25	Very low	24.9	Very low	150 Å²	150	157.6 Å²	157.6	79%	0.785	82%	0.823	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.2	4.4	-168.2	-82.6	169	0	0	0	116.6
636	K	26.1	Very low	25.7	Very low	200 Å²	200	156.6 Å²	156.6	87%	0.87	82%	0.817	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.1	-13.3	-174.8	-146	170.5	-174.9	176.2	0	114.8	F634	F634-K636 PolarHBondContact O-N 2.99Å
637	S	27.7	Very low	26.4	Very low	104 Å²	104	154.9 Å²	154.9	73%	0.727	81%	0.812	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.6	2.1	-170.9	64.3	0	0	0	0	116.3
638	L	27.6	Very low	27.4	Very low	159 Å²	159	153.1 Å²	153.1	83%	0.832	79%	0.794	S	S	*	*	T	Hydrogen-bonded Turn	trans	-106.9	7.4	-177.4	-94.7	154.6	0	0	0	115.2
639	Y	26.7	Very low	28.5	Very low	207 Å²	207	149.2 Å²	149.2	81%	0.812	78%	0.778	S	S	*	*			trans	-93.2	11	-171.6	-113.9	-87	0	0	0	116.5
640	L	24.4	Very low	29.8	Very low	158 Å²	158	143 Å²	143	83%	0.827	75%	0.746	S	S	*	*	S	Bend	trans	-125.4	85.5	177.8	-93.2	145.6	0	0	0	109.6
641	N	24.1	Very low	31	Very low	141 Å²	141	145.2 Å²	145.2	75%	0.754	74%	0.737	S	S	*	*			trans	170.5	156	138.2	-84.3	-26	0	0	0	110
642	Y	28	Very low	32.3	Very low	234 Å²	234	141.2 Å²	141.2	92%	0.918	72%	0.722	S	S	*	*			trans	94.7	64.7	-176.3	-53	-72.2	0	0	0	115.9
643	A	28.7	Very low	33.6	Very low	87 Å²	87	140 Å²	140	72%	0.719	71%	0.71	S	S	*	*			trans	-90	118.6	137.6	0	0	0	0	0	107.6
644	N	28.6	Very low	35	Very low	159 Å²	159	136 Å²	136	85%	0.85	68%	0.681	S	S	*	*			trans	170.5	110.5	144.4	-85.3	-19.9	0	0	0	112.4
645	M	29.2	Very low	36.1	Very low	159 Å²	159	133.6 Å²	133.6	78%	0.783	67%	0.671	S	S	*	*			trans	26.9	129.5	145.7	-59.2	-179.7	70.4	0	0	123.6
646	D	36.1	Very low	37.2	Very low	143 Å²	143	130.9 Å²	130.9	77%	0.765	66%	0.656	S	S	*	*	S	Bend	trans	75.8	27.8	140.1	-61.1	-20.1	0	0	0	123.4
647	V	34.8	Very low	38.1	Very low	114 Å²	114	123.5 Å²	123.5	69%	0.691	63%	0.633	S	S	*	*	S	Bend	trans	-138.9	119.4	153.1	-177.1	0	0	0	0	108.6	P649	V647-P649 WeakPolarHBondContact O-CD 3.49Å; V647-P649 VanDerWaalsContact O-N 3.15Å
648	D	43.9	Very low	39	Very low	72 Å²	72	122.9 Å²	122.9	39%	0.385	62%	0.621	S	S	.	*			trans	-62.8	111.5	-177.2	-172.8	-6.4	0	0	0	109.5	W650 E651 R791	D648-W650 PolarHBondContact O-N 3.41Å; D648-W650 WeakPolarHBondContact OD1-CB 3.23Å; D648-W650 PolarHBondContact OD1-N 3.02Å; D648-W650 VanDerWaalsContact OD1-N 3.1Å; D648-E651 PolarHBondContact O-N 3.08Å; D648-E651 VanDerWaalsContact O-N 3.08Å; D648-R791 IonicContact OD2-CZ 3.45Å; D648-R791 IonicContact OD2-NH1 2.74Å; D648-R791 PolarHBondContact OD2-NH1 3.42Å; D648-R791 IonicContact OD2-NH2 3.63Å
649	P	44.4	Very low	40.1	Very low	80 Å²	80	119.1 Å²	119.1	52%	0.519	61%	0.605	S	S	.	*	H	α-helix	trans	-58.5	-15.7	-179.9	-23.9	35.3	0	0	0	113.1	V647 K653	V647-P649 WeakPolarHBondContact O-CD 3.49Å; V647-P649 VanDerWaalsContact O-N 3.15Å; P649-K653 WeakPolarHBondContact O-CB 3.26Å; P649-K653 VanDerWaalsContact O-CG 3.3Å; P649-K653 WeakPolarHBondContact O-CG 3.46Å; P649-K653 PolarHBondContact O-N 3.31Å
650	W	49	Very low	40.8	Very low	70 Å²	70	113.6 Å²	113.6	27%	0.265	59%	0.589	S	S	.	*	H	α-helix	trans	-65	-38.6	175.8	-176.9	78.4	0	0	0	114	V470 R471 D648 E652 M654	V470-W650 HydrophobicContact CB-CH2 4.25Å; V470-W650 HydrophobicContact CB-CZ2 4.01Å; V470-W650 HydrophobicContact CG1-CH2 3.68Å; V470-W650 HydrophobicContact CG1-CZ2 3.3Å; V470-W650 HydrophobicContact CG1-CZ3 4.49Å; R471-W650 HydrophobicContact CB-CH2 4.19Å; D648-W650 PolarHBondContact O-N 3.41Å; D648-W650 WeakPolarHBondContact OD1-CB 3.23Å; D648-W650 PolarHBondContact OD1-N 3.02Å; D648-W650 VanDerWaalsContact OD1-N 3.1Å; W650-E652 VanDerWaalsContact C-N 3.3Å; W650-E652 PolarHBondContact O-N 3.1Å; W650-M654 HydrophobicContact CD2-CG 4.43Å; W650-M654 HydrophobicContact CZ2-CE 4.42Å; W650-M654 WeakPolarHBondContact O-CB 3.48Å; W650-M654 WeakPolarHBondContact O-CG 3.23Å; W650-M654 PolarHBondContact O-N 3.48Å
651	E	46.7	Very low	41.6	Very low	116 Å²	116	110.9 Å²	110.9	54%	0.542	57%	0.567	S	S	.	*	H	α-helix	trans	-69.6	-34.9	-178.4	-160.7	175	-161.4	0	0	110.8	D648 K655	D648-E651 PolarHBondContact O-N 3.08Å; D648-E651 VanDerWaalsContact O-N 3.08Å; E651-K655 WeakPolarHBondContact O-CG 3.07Å; E651-K655 PolarHBondContact O-N 3.26Å
652	E	50.2	Low	42.6	Very low	129 Å²	129	111.4 Å²	111.4	60%	0.603	56%	0.563	S	S	*	*	H	α-helix	trans	-76.7	-43.4	177.6	-153.6	169.9	-152.5	0	0	111.9	W650 M654 K655 I656	W650-E652 VanDerWaalsContact C-N 3.3Å; W650-E652 PolarHBondContact O-N 3.1Å; E652-M654 VanDerWaalsContact C-N 3.3Å; E652-M654 PolarHBondContact O-N 3.49Å; E652-K655 WeakPolarHBondContact O-CB 3.14Å; E652-K655 PolarHBondContact O-N 2.9Å; E652-I656 VanDerWaalsContact O-CG1 3.28Å; E652-I656 WeakPolarHBondContact O-CG1 3.34Å; E652-I656 PolarHBondContact O-N 3.13Å
653	K	51.1	Low	43.4	Very low	135 Å²	135	104.1 Å²	104.1	59%	0.587	54%	0.542	S	S	*	.	H	α-helix	trans	-61.7	-36	174.8	-77.7	-179.5	179.8	-179.4	0	112.8	P649 I656 A657	P649-K653 WeakPolarHBondContact O-CB 3.26Å; P649-K653 VanDerWaalsContact O-CG 3.3Å; P649-K653 WeakPolarHBondContact O-CG 3.46Å; P649-K653 PolarHBondContact O-N 3.31Å; K653-I656 PolarHBondContact O-N 2.91Å; K653-A657 PolarHBondContact O-N 3.39Å
654	M	53.4	Low	43.6	Very low	59 Å²	59	105.8 Å²	105.8	29%	0.291	54%	0.536	S	S	.	.	H	α-helix	trans	-67.8	-42.6	174.2	-80.2	-68.1	179.3	0	0	112	W650 E652 I656 A657 D658	W650-M654 HydrophobicContact CD2-CG 4.43Å; W650-M654 HydrophobicContact CZ2-CE 4.42Å; W650-M654 WeakPolarHBondContact O-CB 3.48Å; W650-M654 WeakPolarHBondContact O-CG 3.23Å; W650-M654 PolarHBondContact O-N 3.48Å; E652-M654 VanDerWaalsContact C-N 3.3Å; E652-M654 PolarHBondContact O-N 3.49Å; M654-I656 PolarHBondContact O-N 3.35Å; M654-A657 PolarHBondContact O-N 3.23Å; M654-D658 PolarHBondContact O-N 3.39Å
655	K	52.7	Low	44	Very low	130 Å²	130	106.6 Å²	106.6	57%	0.565	53%	0.531	S	S	*	.	H	α-helix	trans	-58.4	-39.7	172.7	-75.7	173.8	-176.4	171.2	0	111.2	E651 E652 T659	E651-K655 WeakPolarHBondContact O-CG 3.07Å; E651-K655 PolarHBondContact O-N 3.26Å; E652-K655 WeakPolarHBondContact O-CB 3.14Å; E652-K655 PolarHBondContact O-N 2.9Å; K655-T659 VanDerWaalsContact O-CB 3.28Å; K655-T659 WeakPolarHBondContact O-CB 3.4Å; K655-T659 PolarHBondContact O-N 3.39Å; K655-T659 PolarHBondContact O-OG1 3.12Å
656	I	48	Very low	44.4	Very low	92 Å²	92	108.9 Å²	108.9	47%	0.472	53%	0.531	S	S	.	.	H	α-helix	trans	-66.1	-47.3	176.7	-65.6	163.1	0	0	0	110.9	E652 K653 M654 D658 T659 I660	E652-I656 VanDerWaalsContact O-CG1 3.28Å; E652-I656 WeakPolarHBondContact O-CG1 3.34Å; E652-I656 PolarHBondContact O-N 3.13Å; K653-I656 PolarHBondContact O-N 2.91Å; M654-I656 PolarHBondContact O-N 3.35Å; I656-D658 PolarHBondContact O-N 2.95Å; I656-T659 PolarHBondContact O-N 3Å; I656-T659 VanDerWaalsContact O-N 3.15Å; I656-I660 HydrophobicContact CG2-CD1 3.79Å; I656-I660 HydrophobicContact CG2-CG1 4.37Å; I656-I660 VanDerWaalsContact O-CG1 3.3Å; I656-I660 WeakPolarHBondContact O-CG1 3.11Å; I656-I660 PolarHBondContact O-N 3.01Å
657	A	44.3	Very low	44.4	Very low	46 Å²	46	110.4 Å²	110.4	38%	0.38	53%	0.531	S	S	.	.	H	α-helix	trans	-61.9	-43.1	178.8	0	0	0	0	0	112.7	K653 M654 T659 I660 R661	K653-A657 PolarHBondContact O-N 3.39Å; M654-A657 PolarHBondContact O-N 3.23Å; A657-T659 VanDerWaalsContact C-N 3.31Å; A657-T659 PolarHBondContact O-N 3.02Å; A657-I660 PolarHBondContact O-N 2.82Å; A657-R661 PolarHBondContact O-N 2.87Å
658	D	48.2	Very low	44.3	Very low	90 Å²	90	113.3 Å²	113.3	48%	0.481	54%	0.537	S	S	.	.	H	α-helix	trans	-65.5	-35.2	174.3	-91.1	-8.8	0	0	0	112	M654 I656 R661 K662	M654-D658 PolarHBondContact O-N 3.39Å; I656-D658 PolarHBondContact O-N 2.95Å; D658-R661 PolarHBondContact O-N 2.77Å; D658-K662 WeakPolarHBondContact O-CB 3.41Å; D658-K662 WeakPolarHBondContact O-CG 3.19Å; D658-K662 PolarHBondContact O-N 2.84Å
659	T	49.7	Very low	43.7	Very low	81 Å²	81	118.8 Å²	118.8	50%	0.497	55%	0.552	S	S	.	*	H	α-helix	trans	-68.6	-42.9	176	-56.8	0	0	0	0	110.9	K655 I656 A657 R661 K662 V663	K655-T659 VanDerWaalsContact O-CB 3.28Å; K655-T659 WeakPolarHBondContact O-CB 3.4Å; K655-T659 PolarHBondContact O-N 3.39Å; K655-T659 PolarHBondContact O-OG1 3.12Å; I656-T659 PolarHBondContact O-N 3Å; I656-T659 VanDerWaalsContact O-N 3.15Å; A657-T659 VanDerWaalsContact C-N 3.31Å; A657-T659 PolarHBondContact O-N 3.02Å; T659-R661 VanDerWaalsContact C-N 3.34Å; T659-R661 PolarHBondContact O-N 3.35Å; T659-K662 PolarHBondContact O-N 2.89Å; T659-V663 VanDerWaalsContact O-CG2 3.31Å; T659-V663 WeakPolarHBondContact O-CG2 3.44Å; T659-V663 PolarHBondContact O-N 3.28Å
660	I	42.3	Very low	43.1	Very low	91 Å²	91	119.6 Å²	119.6	47%	0.467	56%	0.559	S	S	.	*	H	α-helix	trans	-60.3	-44.5	174.4	-67.7	166.9	0	0	0	110.2	I656 A657 K662 V663 Q664	I656-I660 HydrophobicContact CG2-CD1 3.79Å; I656-I660 HydrophobicContact CG2-CG1 4.37Å; I656-I660 VanDerWaalsContact O-CG1 3.3Å; I656-I660 WeakPolarHBondContact O-CG1 3.11Å; I656-I660 PolarHBondContact O-N 3.01Å; A657-I660 PolarHBondContact O-N 2.82Å; I660-K662 PolarHBondContact O-N 2.93Å; I660-V663 PolarHBondContact O-N 3.39Å; I660-Q664 WeakPolarHBondContact O-CG 3.41Å; I660-Q664 PolarHBondContact O-N 3.27Å
661	R	40.9	Very low	42.2	Very low	100 Å²	100	125.7 Å²	125.7	38%	0.377	59%	0.588	S	S	.	*	H	α-helix	trans	-59.5	-43.2	174	-86.8	-179.7	166.5	-174.3	-9.1	112.6	A657 D658 T659 V663 Q664 K665 E756	A657-R661 PolarHBondContact O-N 2.87Å; D658-R661 PolarHBondContact O-N 2.77Å; T659-R661 VanDerWaalsContact C-N 3.34Å; T659-R661 PolarHBondContact O-N 3.35Å; R661-V663 VanDerWaalsContact C-N 3.34Å; R661-V663 PolarHBondContact O-N 2.83Å; R661-Q664 PolarHBondContact O-N 2.72Å; R661-K665 PolarHBondContact O-N 3.07Å; R661-E756 IonicContact CZ-OE1 2.7Å; R661-E756 IonicContact CZ-OE2 3.8Å; R661-E756 IonicContact NH1-OE2 2.76Å; R661-E756 PolarHBondContact NH1-OE2 2.83Å; R661-E756 VanDerWaalsContact NH2-CD 3.32Å; R661-E756 IonicContact NH2-OE1 3.22Å; R661-E756 PolarHBondContact NH2-OE1 2.81Å; R661-E756 IonicContact NH2-OE2 3.73Å; R661-E756 PolarHBondContact NH2-OE2 2.8Å
662	K	43.8	Very low	41.4	Very low	152 Å²	152	124.2 Å²	124.2	66%	0.661	59%	0.59	S	S	*	*	H	α-helix	trans	-65.5	-35.7	176.5	-77.1	177	-179.4	175.9	0	112.4	D658 T659 I660 R666	D658-K662 WeakPolarHBondContact O-CB 3.41Å; D658-K662 WeakPolarHBondContact O-CG 3.19Å; D658-K662 PolarHBondContact O-N 2.84Å; T659-K662 PolarHBondContact O-N 2.89Å; I660-K662 PolarHBondContact O-N 2.93Å; K662-R666 PolarHBondContact O-N 3.14Å; K662-R666 VanDerWaalsContact O-N 3.14Å
663	V	44.5	Very low	40.3	Very low	81 Å²	81	123.2 Å²	123.2	49%	0.491	59%	0.593	S	S	.	*	H	α-helix	trans	-71.2	-42.1	176.5	172.4	0	0	0	0	111.3	T659 I660 R661 R666 K667	T659-V663 VanDerWaalsContact O-CG2 3.31Å; T659-V663 WeakPolarHBondContact O-CG2 3.44Å; T659-V663 PolarHBondContact O-N 3.28Å; I660-V663 PolarHBondContact O-N 3.39Å; R661-V663 VanDerWaalsContact C-N 3.34Å; R661-V663 PolarHBondContact O-N 2.83Å; V663-R666 PolarHBondContact O-N 2.83Å; V663-R666 VanDerWaalsContact O-N 3.16Å; V663-K667 PolarHBondContact O-N 3.07Å; V663-K667 VanDerWaalsContact O-N 3.12Å
664	Q	34.2	Very low	39.4	Very low	123 Å²	123	126.6 Å²	126.6	58%	0.575	61%	0.608	S	S	*	*	H	α-helix	trans	-62.4	-43	175.4	-75.6	176.2	-19.5	0	0	111.7	I660 R661 R666 K667	I660-Q664 WeakPolarHBondContact O-CG 3.41Å; I660-Q664 PolarHBondContact O-N 3.27Å; R661-Q664 PolarHBondContact O-N 2.72Å; Q664-R666 VanDerWaalsContact C-N 3.29Å; Q664-R666 PolarHBondContact O-N 3.27Å; Q664-K667 PolarHBondContact O-N 3.26Å
665	K	37.3	Very low	38.5	Very low	175 Å²	175	132.7 Å²	132.7	76%	0.761	64%	0.636	S	S	*	*	H	α-helix	trans	-63.6	-30.6	173.6	-79.4	-170.7	174.2	-173.5	0	113.5	R661	R661-K665 PolarHBondContact O-N 3.07Å
666	R	37.5	Very low	37.6	Very low	207 Å²	207	132.7 Å²	132.7	78%	0.781	64%	0.638	S	S	*	*	H	α-helix	trans	-74.1	-33.3	176.7	-94.3	-178.8	154	166.3	-5.6	113.4	K662 V663 Q664 H668 R669	K662-R666 PolarHBondContact O-N 3.14Å; K662-R666 VanDerWaalsContact O-N 3.14Å; V663-R666 PolarHBondContact O-N 2.83Å; V663-R666 VanDerWaalsContact O-N 3.16Å; Q664-R666 VanDerWaalsContact C-N 3.29Å; Q664-R666 PolarHBondContact O-N 3.27Å; R666-H668 VanDerWaalsContact C-N 3.33Å; R666-H668 PolarHBondContact O-N 3.26Å; R666-R669 PolarHBondContact O-N 3.26Å
667	K	35.3	Very low	37	Very low	175 Å²	175	136.7 Å²	136.7	76%	0.761	65%	0.654	S	S	*	*	H	α-helix	trans	-68.8	-28.7	177.4	-89.6	-173.6	173.7	-178	0	113.5	V663 Q664 R669	V663-K667 PolarHBondContact O-N 3.07Å; V663-K667 VanDerWaalsContact O-N 3.12Å; Q664-K667 PolarHBondContact O-N 3.26Å; K667-R669 VanDerWaalsContact C-N 3.32Å; K667-R669 PolarHBondContact O-N 3.27Å
668	H	33.9	Very low	36.8	Very low	175 Å²	175	141.4 Å²	141.4	81%	0.81	67%	0.673	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.6	-15.6	176.1	-97.2	-72.5	0	0	0	114.4	R666	R666-H668 VanDerWaalsContact C-N 3.33Å; R666-H668 PolarHBondContact O-N 3.26Å
669	R	30.4	Very low	36.5	Very low	188 Å²	188	140.5 Å²	140.5	71%	0.709	67%	0.671	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101	-1.7	-171.2	-147	174.2	172	-172.5	-3.9	115	R666 K667 K671	R666-R669 PolarHBondContact O-N 3.26Å; K667-R669 VanDerWaalsContact C-N 3.32Å; K667-R669 PolarHBondContact O-N 3.27Å; R669-K671 VanDerWaalsContact C-N 3.32Å; R669-K671 PolarHBondContact O-N 2.74Å
670	S	31.3	Very low	36	Very low	96 Å²	96	140.4 Å²	140.4	67%	0.671	67%	0.67	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.9	18.8	-177.2	61	0	0	0	0	114.8
671	K	30.6	Very low	35.7	Very low	199 Å²	199	144.3 Å²	144.3	87%	0.865	68%	0.684	S	S	*	*	T	Hydrogen-bonded Turn	trans	-141.9	41.4	179	-137.7	178.9	-172.6	-178.3	0	114.2	R669	R669-K671 VanDerWaalsContact C-N 3.32Å; R669-K671 PolarHBondContact O-N 2.74Å
672	S	28.9	Very low	35.5	Very low	84 Å²	84	145.7 Å²	145.7	59%	0.587	69%	0.694	S	S	*	*			trans	-173	65.2	162.8	57.3	0	0	0	0	110.2
673	T	28.5	Very low	35.5	Very low	109 Å²	109	143.9 Å²	143.9	67%	0.669	69%	0.691	S	S	*	*			trans	-125.2	85.1	174.8	47.4	0	0	0	0	109
674	K	30.8	Very low	35.1	Very low	206 Å²	206	145.2 Å²	145.2	90%	0.896	70%	0.696	S	S	*	*	S	Bend	trans	-161.9	5.9	148.5	-118	179.7	-179.6	-172.6	0	118
675	E	35	Very low	35.4	Very low	186 Å²	186	142.6 Å²	142.6	87%	0.869	70%	0.695	S	S	*	*	S	Bend	trans	-132.8	17.7	179	-70.4	-175.2	167.3	0	0	115.1
676	E	35.2	Very low	35.5	Very low	130 Å²	130	140.6 Å²	140.6	61%	0.607	69%	0.686	S	S	*	*			trans	-105.2	7.7	-173.1	-117.6	179.5	-169.4	0	0	115.8	V680	E676-V680 WeakPolarHBondContact O-CG2 3.37Å
677	E	35.2	Very low	35.6	Very low	176 Å²	176	133.9 Å²	133.9	82%	0.822	68%	0.675	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.7	-20.9	177.3	-94.3	-175.7	161.5	0	0	114.5
678	D	38.7	Very low	35.5	Very low	146 Å²	146	134.2 Å²	134.2	78%	0.781	68%	0.679	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.1	-24.1	178.3	-77.6	-26.4	0	0	0	113.5
679	T	41.8	Very low	35.5	Very low	71 Å²	71	129.9 Å²	129.9	44%	0.436	67%	0.669	S	S	.	*	H	α-helix	trans	-78	-25.9	179.5	30.4	0	0	0	0	114.2	K681 E682 L683	T679-K681 PolarHBondContact O-N 2.89Å; T679-E682 PolarHBondContact O-N 3.46Å; T679-L683 WeakPolarHBondContact O-CG 3.42Å; T679-L683 PolarHBondContact O-N 3.11Å
680	V	39.7	Very low	35.7	Very low	79 Å²	79	125.8 Å²	125.8	48%	0.479	66%	0.664	S	S	.	*	H	α-helix	trans	-73.8	-29	-176.7	179.6	0	0	0	0	112.3	E676 N684	E676-V680 WeakPolarHBondContact O-CG2 3.37Å; V680-N684 PolarHBondContact O-N 3.39Å
681	K	36.3	Very low	35.8	Very low	173 Å²	173	127.3 Å²	127.3	75%	0.752	67%	0.67	S	S	*	*	H	α-helix	trans	-73.8	-30.9	175.8	-75.2	-176.3	178.9	172.8	0	112.6	T679	T679-K681 PolarHBondContact O-N 2.89Å
682	E	36.9	Very low	35.9	Very low	128 Å²	128	121.4 Å²	121.4	60%	0.598	65%	0.653	S	S	*	*	H	α-helix	trans	-77.4	-29.5	177	-149.8	176.8	176.3	0	0	112.3	T679 K686	T679-E682 PolarHBondContact O-N 3.46Å; E682-K686 PolarHBondContact O-N 3.22Å
683	L	42.6	Very low	36.3	Very low	114 Å²	114	124.4 Å²	124.4	60%	0.597	66%	0.658	S	S	*	*	H	α-helix	trans	-72.7	-37.5	175.8	-74.6	166.7	0	0	0	113.3	T679 K686 A687	T679-L683 WeakPolarHBondContact O-CG 3.42Å; T679-L683 PolarHBondContact O-N 3.11Å; L683-K686 PolarHBondContact O-N 3.43Å; L683-A687 PolarHBondContact O-N 2.8Å
684	N	37.1	Very low	36.6	Very low	110 Å²	110	126.2 Å²	126.2	59%	0.588	66%	0.663	S	S	*	*	H	α-helix	trans	-70.6	-31.5	177.3	-80.2	-12.4	0	0	0	112.8	V680 K686 A687 E688	V680-N684 PolarHBondContact O-N 3.39Å; N684-K686 VanDerWaalsContact C-N 3.29Å; N684-K686 PolarHBondContact O-N 2.76Å; N684-A687 PolarHBondContact O-N 3.47Å; N684-E688 PolarHBondContact O-N 2.9Å
685	A	40	Very low	37.2	Very low	67 Å²	67	120.1 Å²	120.1	55%	0.554	64%	0.644	S	S	*	*	H	α-helix	trans	-69.3	-27	173.3	0	0	0	0	0	112.7	S689	A685-S689 PolarHBondContact O-OG 3.17Å
686	K	40.6	Very low	38.1	Very low	133 Å²	133	114.7 Å²	114.7	58%	0.578	62%	0.623	S	S	*	*	H	α-helix	trans	-80.4	-26.3	172.2	-77.2	-179.9	178.5	170.5	0	113.2	E682 L683 N684 V690	E682-K686 PolarHBondContact O-N 3.22Å; L683-K686 PolarHBondContact O-N 3.43Å; N684-K686 VanDerWaalsContact C-N 3.29Å; N684-K686 PolarHBondContact O-N 2.76Å; K686-V690 WeakPolarHBondContact O-CG2 3.27Å
687	A	38.8	Very low	39.1	Very low	66 Å²	66	111.1 Å²	111.1	55%	0.545	61%	0.612	S	S	.	*	H	α-helix	trans	-69.8	-32.5	178.4	0	0	0	0	0	113.2	L683 N684	L683-A687 PolarHBondContact O-N 2.8Å; N684-A687 PolarHBondContact O-N 3.47Å
688	E	33.9	Very low	40.3	Very low	182 Å²	182	102.9 Å²	102.9	85%	0.85	57%	0.574	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.1	-11.4	-179.2	-71.9	-176	169.2	0	0	114.4	N684	N684-E688 PolarHBondContact O-N 2.9Å
689	S	32.4	Very low	41.2	Very low	85 Å²	85	99.7 Å²	99.7	59%	0.594	56%	0.557	S	S	*	*	T	Hydrogen-bonded Turn	trans	-105.8	3.9	179.1	57.2	0	0	0	0	115.3	A685	A685-S689 PolarHBondContact O-OG 3.17Å
690	V	34.4	Very low	42.3	Very low	101 Å²	101	101.5 Å²	101.5	61%	0.612	56%	0.561	S	S	*	*			trans	-115.6	24	-177.1	-172.2	0	0	0	0	113.4	K686 S692	K686-V690 WeakPolarHBondContact O-CG2 3.27Å; V690-S692 PolarHBondContact O-N 3.36Å
691	V	35.1	Very low	43.7	Very low	129 Å²	129	99 Å²	99	78%	0.782	54%	0.543	S	S	*	.			trans	-85.9	37	162.7	-159.3	0	0	0	0	111.1
692	S	31	Very low	45.1	Very low	74 Å²	74	93.3 Å²	93.3	52%	0.517	52%	0.521	S	S	.	.			trans	-98.5	83.2	152.5	59.8	0	0	0	0	106.3	V690 N694	V690-S692 PolarHBondContact O-N 3.36Å; S692-N694 PolarHBondContact O-N 3.3Å
693	E	38.1	Very low	46.2	Very low	148 Å²	148	92.8 Å²	92.8	69%	0.692	52%	0.518	S	S	*	.			trans	-52.3	101.9	168.4	-74.4	177.6	155.3	0	0	108.4	V695	E693-V695 PolarHBondContact O-N 3.45Å
694	N	35.3	Very low	47	Very low	146 Å²	146	89.4 Å²	89.4	78%	0.781	50%	0.504	S	S	*	.			trans	-67.6	98.8	171.5	-78.4	-23.5	0	0	0	107.3	S692 V696	S692-N694 PolarHBondContact O-N 3.3Å; N694-V696 PolarHBondContact O-N 3.06Å
695	V	43.6	Very low	47.6	Very low	79 Å²	79	84.5 Å²	84.5	48%	0.479	48%	0.48	S	S	.	.			trans	-71.6	115.7	-178.4	-179.3	0	0	0	0	108.9	E693 K925	E693-V695 PolarHBondContact O-N 3.45Å; V695-K925 HydrophobicContact CG1-CB 4.13Å; V695-K925 HydrophobicContact CG2-CD 3.79Å
696	V	52.9	Low	48.1	Very low	71 Å²	71	84 Å²	84	43%	0.43	47%	0.472	S	S	.	.			trans	-85.7	125.4	179.2	-179.7	0	0	0	0	108.2	N694 E700 F701	N694-V696 PolarHBondContact O-N 3.06Å; V696-E700 VanDerWaalsContact CA-OE2 3.29Å; V696-E700 WeakPolarHBondContact CA-OE2 3.24Å; V696-E700 HydrophobicContact CG1-CB 3.39Å; V696-E700 HydrophobicContact CG1-CG 3.7Å; V696-F701 HydrophobicContact CG1-CB 4.1Å
697	S	56.6	Low	48.5	Very low	56 Å²	56	82.1 Å²	82.1	39%	0.392	48%	0.476	S	S	.	.			trans	-61	161.1	176.3	73.7	0	0	0	0	111.6	D699 E700 F701	S697-D699 PolarHBondContact O-N 2.95Å; S697-E700 PolarHBondContact N-OE2 3.46Å; S697-E700 CarbonylContact O-C 3.5Å; S697-E700 WeakPolarHBondContact O-CA 3.21Å; S697-E700 WeakPolarHBondContact O-CB 3.17Å; S697-E700 PolarHBondContact O-N 3.25Å; S697-E700 VanDerWaalsContact OG-CB 3.25Å; S697-E700 WeakPolarHBondContact OG-CB 3.39Å; S697-E700 PolarHBondContact OG-N 2.96Å; S697-E700 VanDerWaalsContact OG-N 3.15Å; S697-F701 WeakPolarHBondContact O-CB 3.12Å; S697-F701 PolarHBondContact O-N 3.25Å
698	A	60.2	Low	48.9	Very low	3 Å²	3	80.9 Å²	80.9	3%	0.025	46%	0.458	C	S	.	.	H	α-helix	trans	-56.4	-40.9	178.1	0	0	0	0	0	112.2	E700 F701 L702 D931 F935	A698-E700 PolarHBondContact O-N 3.31Å; A698-F701 PolarHBondContact O-N 3.12Å; A698-L702 WeakPolarHBondContact O-CB 3.39Å; A698-L702 WeakPolarHBondContact O-CD1 3.37Å; A698-L702 WeakPolarHBondContact O-CG 3.41Å; A698-L702 PolarHBondContact O-N 3.26Å; A698-D931 HydrophobicContact CB-CB 3.58Å; A698-D931 VanDerWaalsContact CB-CG 3.48Å; A698-D931 WeakPolarHBondContact CB-OD1 3.45Å; A698-F935 HydrophobicContact CB-CE2 4.03Å; A698-F935 HydrophobicContact CB-CZ 4.04Å
699	D	58.8	Low	49.5	Very low	79 Å²	79	73.2 Å²	73.2	42%	0.422	42%	0.423	S	S	.	.	H	α-helix	trans	-56.6	-53.3	170.8	-98	-15.8	0	0	0	109.9	S697 F701 L702 H703 Q934	S697-D699 PolarHBondContact O-N 2.95Å; D699-F701 PolarHBondContact O-N 2.95Å; D699-L702 PolarHBondContact O-N 2.81Å; D699-L702 VanDerWaalsContact O-N 3.16Å; D699-H703 VanDerWaalsContact C-ND1 3.34Å; D699-H703 WeakPolarHBondContact O-CB 3.14Å; D699-H703 PolarHBondContact O-N 2.47Å; D699-H703 PolarHBondContact O-ND1 3.47Å; D699-H703 IonicContact OD1-CE1 3.44Å; D699-Q934 PolarHBondContact OD1-NE2 3.35Å; D699-Q934 PolarHBondContact OD1-OE1 3.48Å
700	E	63.6	Low	49.8	Very low	109 Å²	109	72 Å²	72	51%	0.509	42%	0.418	S	S	.	.	H	α-helix	trans	-64.6	-28.6	-176.1	-152.3	176.2	-135.1	0	0	111.7	V696 S697 A698 S704	V696-E700 VanDerWaalsContact CA-OE2 3.29Å; V696-E700 WeakPolarHBondContact CA-OE2 3.24Å; V696-E700 HydrophobicContact CG1-CB 3.39Å; V696-E700 HydrophobicContact CG1-CG 3.7Å; S697-E700 PolarHBondContact N-OE2 3.46Å; S697-E700 CarbonylContact O-C 3.5Å; S697-E700 WeakPolarHBondContact O-CA 3.21Å; S697-E700 WeakPolarHBondContact O-CB 3.17Å; S697-E700 PolarHBondContact O-N 3.25Å; S697-E700 VanDerWaalsContact OG-CB 3.25Å; S697-E700 WeakPolarHBondContact OG-CB 3.39Å; S697-E700 PolarHBondContact OG-N 2.96Å; S697-E700 VanDerWaalsContact OG-N 3.15Å; A698-E700 PolarHBondContact O-N 3.31Å; E700-S704 VanDerWaalsContact O-CB 3.28Å; E700-S704 WeakPolarHBondContact O-CB 3.44Å; E700-S704 PolarHBondContact O-N 3.18Å
701	F	70.2	Confident	50.1	Low	26 Å²	26	73 Å²	73	11%	0.114	43%	0.426	C	S	.	.	H	α-helix	trans	-73.1	-46.7	174.5	-179.4	-86.6	0	0	0	110.4	D408 V411 K412 V696 S697 A698 D699 H703 S704 G705 F935 P970	D408-F701 HydrophobicContact CB-CE2 4.01Å; D408-F701 HydrophobicContact CB-CZ 3.99Å; V411-F701 HydrophobicContact CG1-CE1 4.41Å; K412-F701 HydrophobicContact CD-CZ 4.27Å; K412-F701 VanDerWaalsContact CE-CE2 3.41Å; K412-F701 VanDerWaalsContact CE-CZ 3.49Å; K412-F701 HydrophobicContact CG-CD1 4.44Å; K412-F701 HydrophobicContact CG-CE1 3.71Å; K412-F701 HydrophobicContact CG-CZ 3.78Å; V696-F701 HydrophobicContact CG1-CB 4.1Å; S697-F701 WeakPolarHBondContact O-CB 3.12Å; S697-F701 PolarHBondContact O-N 3.25Å; A698-F701 PolarHBondContact O-N 3.12Å; D699-F701 PolarHBondContact O-N 2.95Å; F701-H703 VanDerWaalsContact C-N 3.29Å; F701-H703 PolarHBondContact O-N 3.16Å; F701-S704 PolarHBondContact O-N 2.94Å; F701-S704 PolarHBondContact O-OG 3.43Å; F701-G705 PolarHBondContact O-N 2.94Å; F701-F935 HydrophobicContact CD1-CE1 4.2Å; F701-P970 HydrophobicContact CD1-CG 4.12Å; F701-P970 HydrophobicContact CE1-CB 4.44Å; F701-P970 HydrophobicContact CE1-CG 3.5Å; F701-P970 HydrophobicContact CE2-CB 4.4Å; F701-P970 HydrophobicContact CE2-CG 4.26Å; F701-P970 HydrophobicContact CZ-CB 4.05Å; F701-P970 HydrophobicContact CZ-CG 3.58Å
702	L	64.2	Low	50.4	Low	53 Å²	53	73.7 Å²	73.7	28%	0.277	43%	0.426	S	S	.	.	H	α-helix	trans	-60.6	-41.6	174.4	-68.5	169	0	0	0	110.9	L415 A698 D699 G705 Q934	L415-L702 HydrophobicContact CD1-CD2 3.65Å; A698-L702 WeakPolarHBondContact O-CB 3.39Å; A698-L702 WeakPolarHBondContact O-CD1 3.37Å; A698-L702 WeakPolarHBondContact O-CG 3.41Å; A698-L702 PolarHBondContact O-N 3.26Å; D699-L702 PolarHBondContact O-N 2.81Å; D699-L702 VanDerWaalsContact O-N 3.16Å; L702-G705 PolarHBondContact O-N 2.88Å; L702-Q934 HydrophobicContact CD1-CB 3.77Å; L702-Q934 HydrophobicContact CD1-CG 4.36Å
703	H	60.7	Low	51.2	Low	118 Å²	118	72.8 Å²	72.8	55%	0.546	41%	0.413	S	S	.	.	H	α-helix	trans	-75.8	-26	178.5	-68.9	86.9	0	0	0	112.3	D699 F701 G705 S706	D699-H703 VanDerWaalsContact C-ND1 3.34Å; D699-H703 WeakPolarHBondContact O-CB 3.14Å; D699-H703 PolarHBondContact O-N 2.47Å; D699-H703 PolarHBondContact O-ND1 3.47Å; D699-H703 IonicContact OD1-CE1 3.44Å; F701-H703 VanDerWaalsContact C-N 3.29Å; F701-H703 PolarHBondContact O-N 3.16Å; H703-G705 PolarHBondContact O-N 3.24Å; H703-S706 VanDerWaalsContact C-OG 3.3Å; H703-S706 VanDerWaalsContact CA-OG 3.26Å; H703-S706 WeakPolarHBondContact CA-OG 3.45Å; H703-S706 VanDerWaalsContact O-CB 3.3Å; H703-S706 WeakPolarHBondContact O-CB 3.38Å; H703-S706 PolarHBondContact O-N 2.83Å; H703-S706 PolarHBondContact O-OG 3.32Å
704	S	58.8	Low	52.1	Low	43 Å²	43	69 Å²	69	30%	0.301	40%	0.399	S	S	.	.	H	α-helix	trans	-63.7	-31.7	171.5	78.9	0	0	0	0	111.6	K412 E700 F701 S706 S707	K412-S704 WeakPolarHBondContact CE-OG 3.34Å; K412-S704 PolarHBondContact NZ-OG 3.07Å; E700-S704 VanDerWaalsContact O-CB 3.28Å; E700-S704 WeakPolarHBondContact O-CB 3.44Å; E700-S704 PolarHBondContact O-N 3.18Å; F701-S704 PolarHBondContact O-N 2.94Å; F701-S704 PolarHBondContact O-OG 3.43Å; S704-S706 VanDerWaalsContact C-N 3.26Å; S704-S706 PolarHBondContact O-N 3.31Å; S704-S707 VanDerWaalsContact O-CB 3.25Å; S704-S707 WeakPolarHBondContact O-CB 3.3Å; S704-S707 PolarHBondContact O-N 3.34Å; S704-S707 VanDerWaalsContact O-N 3.15Å
705	G	50.7	Low	53.1	Low	7 Å²	7	62.6 Å²	62.6	7%	0.072	37%	0.366	C	S	.	.	H	α-helix	trans	-65.2	-28.5	172.3	0	0	0	0	0	112.7	F701 L702 H703 S707 F708	F701-G705 PolarHBondContact O-N 2.94Å; L702-G705 PolarHBondContact O-N 2.88Å; H703-G705 PolarHBondContact O-N 3.24Å; G705-S707 PolarHBondContact O-N 3.45Å; G705-F708 WeakPolarHBondContact O-CB 3.3Å; G705-F708 PolarHBondContact O-N 3.17Å
706	S	49.6	Very low	53.7	Low	55 Å²	55	64.5 Å²	64.5	39%	0.385	37%	0.373	S	S	.	.	H	α-helix	trans	-61.6	-26.7	173.5	-10.8	0	0	0	0	112.3	H703 S704 F708 L709	H703-S706 VanDerWaalsContact C-OG 3.3Å; H703-S706 VanDerWaalsContact CA-OG 3.26Å; H703-S706 WeakPolarHBondContact CA-OG 3.45Å; H703-S706 VanDerWaalsContact O-CB 3.3Å; H703-S706 WeakPolarHBondContact O-CB 3.38Å; H703-S706 PolarHBondContact O-N 2.83Å; H703-S706 PolarHBondContact O-OG 3.32Å; S704-S706 VanDerWaalsContact C-N 3.26Å; S704-S706 PolarHBondContact O-N 3.31Å; S706-F708 PolarHBondContact O-N 3.02Å; S706-F708 VanDerWaalsContact O-N 3.13Å; S706-L709 CarbonylContact O-C 3.59Å; S706-L709 PolarHBondContact O-N 3.11Å
707	S	48.8	Very low	53.8	Low	95 Å²	95	69.3 Å²	69.3	66%	0.664	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.5	-14.1	173.4	-176.3	0	0	0	0	113	S704 G705 L709	S704-S707 VanDerWaalsContact O-CB 3.25Å; S704-S707 WeakPolarHBondContact O-CB 3.3Å; S704-S707 PolarHBondContact O-N 3.34Å; S704-S707 VanDerWaalsContact O-N 3.15Å; G705-S707 PolarHBondContact O-N 3.45Å; S707-L709 CarbonylContact C-O 3.59Å; S707-L709 VanDerWaalsContact C-O 3.3Å
708	F	48.2	Very low	53.9	Low	40 Å²	40	69 Å²	69	18%	0.175	38%	0.377	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-28	174	-156.9	-77.8	0	0	0	111.3	G705 S706 A737 R740	G705-F708 WeakPolarHBondContact O-CB 3.3Å; G705-F708 PolarHBondContact O-N 3.17Å; S706-F708 PolarHBondContact O-N 3.02Å; S706-F708 VanDerWaalsContact O-N 3.13Å; F708-A737 HydrophobicContact CD1-CB 3.75Å; F708-A737 HydrophobicContact CE1-CB 2.97Å; F708-A737 HydrophobicContact CZ-CB 3.59Å; F708-A737 VanDerWaalsContact CZ-O 3.28Å; F708-A737 WeakPolarHBondContact CZ-O 3.36Å; F708-R740 HydrophobicContact CZ-CB 4Å; F708-R740 PolarHBondContact O-NH1 3.03Å; F708-R740 VanDerWaalsContact O-NH1 3.08Å; F708-R740 PolarHBondContact O-NH2 3.4Å
709	L	45.7	Very low	53.8	Low	21 Å²	21	69.3 Å²	69.3	11%	0.11	38%	0.38	C	S	.	.	S	Bend	trans	-101.6	153.6	166.1	-54.8	177	0	0	0	107.3	E416 S706 S707 F713 D733	E416-L709 HydrophobicContact CG-CD1 4.2Å; E416-L709 WeakPolarHBondContact OE1-CD1 3.32Å; S706-L709 CarbonylContact O-C 3.59Å; S706-L709 PolarHBondContact O-N 3.11Å; S707-L709 CarbonylContact C-O 3.59Å; S707-L709 VanDerWaalsContact C-O 3.3Å; L709-F713 HydrophobicContact CB-CB 4.38Å; L709-D733 HydrophobicContact CD2-CB 4.03Å
710	A	39.8	Very low	53.8	Low	60 Å²	60	70.5 Å²	70.5	50%	0.496	39%	0.394	S	S	.	.			trans	-60.4	141.7	175.9	0	0	0	0	0	109.7	D712 F713	A710-D712 PolarHBondContact O-N 3.27Å; A710-F713 HydrophobicContact CB-CB 4.27Å; A710-F713 HydrophobicContact CB-CD2 4.4Å; A710-F713 WeakPolarHBondContact O-CB 3.46Å; A710-F713 PolarHBondContact O-N 3.29Å
711	P	39.9	Very low	53.7	Low	120 Å²	120	72.3 Å²	72.3	78%	0.779	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.4	-20.4	-177.2	17.2	-28.5	0	0	0	114.2
712	D	42.5	Very low	53.5	Low	145 Å²	145	76 Å²	76	78%	0.775	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.8	14.2	177.2	-64.4	-39.7	0	0	0	114.2	A710 T714	A710-D712 PolarHBondContact O-N 3.27Å; D712-T714 PolarHBondContact O-N 2.76Å
713	F	47.4	Very low	53.6	Low	55 Å²	55	76.9 Å²	76.9	24%	0.241	45%	0.445	C	S	.	.			trans	-84	99.8	-168.6	-160.4	-87.6	0	0	0	113	L709 A710 P715 L718 V729 D733	L709-F713 HydrophobicContact CB-CB 4.38Å; A710-F713 HydrophobicContact CB-CB 4.27Å; A710-F713 HydrophobicContact CB-CD2 4.4Å; A710-F713 WeakPolarHBondContact O-CB 3.46Å; A710-F713 PolarHBondContact O-N 3.29Å; F713-P715 HydrophobicContact CD1-CG 4.35Å; F713-P715 HydrophobicContact CE1-CG 4.25Å; F713-L718 HydrophobicContact CE2-CD2 3.6Å; F713-L718 HydrophobicContact CZ-CD2 3.61Å; F713-V729 HydrophobicContact CE1-CG1 4.23Å; F713-V729 HydrophobicContact CZ-CG1 4Å; F713-D733 WeakPolarHBondContact CE1-OD2 3.28Å; F713-D733 WeakPolarHBondContact CZ-OD1 3.3Å; F713-D733 WeakPolarHBondContact CZ-OD2 2.81Å
714	T	56.6	Low	54	Low	67 Å²	67	74.9 Å²	74.9	41%	0.411	44%	0.438	S	S	.	.			trans	-100.2	115.5	163.3	33.4	0	0	0	0	108.5	D712 L716 R717 L718	D712-T714 PolarHBondContact O-N 2.76Å; T714-L716 PolarHBondContact O-N 3.24Å; T714-R717 PolarHBondContact O-N 3.2Å; T714-R717 WeakPolarHBondContact OG1-CD 3.31Å; T714-R717 WeakPolarHBondContact OG1-CG 3.31Å; T714-L718 PolarHBondContact O-N 3.12Å
715	P	55.6	Low	54.9	Low	13 Å²	13	75.6 Å²	75.6	8%	0.084	44%	0.443	C	S	.	.	H	α-helix	trans	-52.2	-30.1	-179.2	-28.2	33.6	0	0	0	113.3	F713 A719 Q726 V729 V730	F713-P715 HydrophobicContact CD1-CG 4.35Å; F713-P715 HydrophobicContact CE1-CG 4.25Å; P715-A719 WeakPolarHBondContact O-CB 3.33Å; P715-A719 PolarHBondContact O-N 3.37Å; P715-Q726 HydrophobicContact CB-CG 3.97Å; P715-V729 HydrophobicContact CB-CG1 4.48Å; P715-V730 HydrophobicContact CB-CG2 4.28Å; P715-V730 HydrophobicContact CG-CG2 4.46Å
716	L	56	Low	56.2	Low	119 Å²	119	77.2 Å²	77.2	62%	0.623	45%	0.448	S	S	*	.	H	α-helix	trans	-62.5	-42.2	174.2	-92.8	148.7	0	0	0	113.9	T714 S720	T714-L716 PolarHBondContact O-N 3.24Å; L716-S720 PolarHBondContact O-N 2.86Å
717	R	56.2	Low	57.7	Low	171 Å²	171	75 Å²	75	65%	0.645	43%	0.433	S	S	*	.	H	α-helix	trans	-68.2	-48.7	178.5	-81.3	-172.8	176.6	166.7	-1.6	110.8	T714 A719 S720 E721	T714-R717 PolarHBondContact O-N 3.2Å; T714-R717 WeakPolarHBondContact OG1-CD 3.31Å; T714-R717 WeakPolarHBondContact OG1-CG 3.31Å; R717-A719 PolarHBondContact O-N 3.12Å; R717-S720 WeakPolarHBondContact O-CB 3.16Å; R717-S720 PolarHBondContact O-N 2.96Å; R717-S720 VanDerWaalsContact O-N 3.13Å; R717-E721 WeakPolarHBondContact O-CG 3.4Å; R717-E721 PolarHBondContact O-N 2.97Å
718	L	57.9	Low	59.2	Low	49 Å²	49	73.1 Å²	73.1	26%	0.257	41%	0.413	S	S	.	.	H	α-helix	trans	-67.5	-36.9	-178.7	-160.7	79.6	0	0	0	112.3	F713 T714 S720 E721 L722 V729	F713-L718 HydrophobicContact CE2-CD2 3.6Å; F713-L718 HydrophobicContact CZ-CD2 3.61Å; T714-L718 PolarHBondContact O-N 3.12Å; L718-S720 VanDerWaalsContact C-N 3.28Å; L718-S720 PolarHBondContact O-N 3.47Å; L718-E721 PolarHBondContact O-N 2.71Å; L718-L722 HydrophobicContact CD1-CD1 4.19Å; L718-L722 HydrophobicContact CD1-CG 4.36Å; L718-L722 HydrophobicContact CD2-CD1 3.67Å; L718-L722 HydrophobicContact CG-CD1 3.56Å; L718-L722 HydrophobicContact CG-CG 4Å; L718-L722 VanDerWaalsContact O-CB 3.29Å; L718-L722 WeakPolarHBondContact O-CB 3.18Å; L718-L722 WeakPolarHBondContact O-CG 3.35Å; L718-L722 PolarHBondContact O-N 2.72Å; L718-V729 HydrophobicContact CB-CG1 4.43Å; L718-V729 HydrophobicContact CD2-CG1 3.95Å
719	A	59	Low	60.8	Low	11 Å²	11	71.4 Å²	71.4	9%	0.091	41%	0.406	C	S	.	.	H	α-helix	trans	-56.8	-44.4	171.3	0	0	0	0	0	111.4	P715 R717 G723 L724 V729	P715-A719 WeakPolarHBondContact O-CB 3.33Å; P715-A719 PolarHBondContact O-N 3.37Å; R717-A719 PolarHBondContact O-N 3.12Å; A719-G723 WeakPolarHBondContact O-CA 3.35Å; A719-G723 PolarHBondContact O-N 2.65Å; A719-L724 CarbonylContact C-O 3.58Å; A719-L724 WeakPolarHBondContact CA-O 3.47Å; A719-L724 VanDerWaalsContact CB-O 3.28Å; A719-L724 WeakPolarHBondContact CB-O 3.15Å; A719-L724 PolarHBondContact O-N 2.95Å; A719-V729 HydrophobicContact CB-CG2 3.93Å
720	S	59	Low	62.6	Low	103 Å²	103	70.4 Å²	70.4	72%	0.72	40%	0.401	S	S	*	.	H	α-helix	trans	-68.2	-37.2	176.8	-170.1	0	0	0	0	113	L716 R717 L718	L716-S720 PolarHBondContact O-N 2.86Å; R717-S720 WeakPolarHBondContact O-CB 3.16Å; R717-S720 PolarHBondContact O-N 2.96Å; R717-S720 VanDerWaalsContact O-N 3.13Å; L718-S720 VanDerWaalsContact C-N 3.28Å; L718-S720 PolarHBondContact O-N 3.47Å
721	E	61.8	Low	64.8	Low	148 Å²	148	68.5 Å²	68.5	69%	0.692	38%	0.382	S	S	*	.	H	α-helix	trans	-74.5	-37.3	179.8	-74.4	174.5	-172	0	0	112.6	R717 L718	R717-E721 WeakPolarHBondContact O-CG 3.4Å; R717-E721 PolarHBondContact O-N 2.97Å; L718-E721 PolarHBondContact O-N 2.71Å
722	L	65.5	Low	67	Low	104 Å²	104	65.3 Å²	65.3	55%	0.545	37%	0.365	S	S	.	.	H	α-helix	trans	-89.6	-8.1	-179.9	-64.7	176.8	0	0	0	113.6	L718 L724	L718-L722 HydrophobicContact CD1-CD1 4.19Å; L718-L722 HydrophobicContact CD1-CG 4.36Å; L718-L722 HydrophobicContact CD2-CD1 3.67Å; L718-L722 HydrophobicContact CG-CD1 3.56Å; L718-L722 HydrophobicContact CG-CG 4Å; L718-L722 VanDerWaalsContact O-CB 3.29Å; L718-L722 WeakPolarHBondContact O-CB 3.18Å; L718-L722 WeakPolarHBondContact O-CG 3.35Å; L718-L722 PolarHBondContact O-N 2.72Å; L722-L724 HydrophobicContact CB-CB 4.47Å; L722-L724 HydrophobicContact CB-CD1 4.03Å; L722-L724 HydrophobicContact CB-CG 4.04Å; L722-L724 HydrophobicContact CD1-CD1 4.16Å; L722-L724 PolarHBondContact O-N 3.35Å
723	G	66.3	Low	69	Low	71 Å²	71	59.7 Å²	59.7	73%	0.732	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	65	26.3	-174.2	0	0	0	0	0	113.7	A719	A719-G723 WeakPolarHBondContact O-CA 3.35Å; A719-G723 PolarHBondContact O-N 2.65Å
724	L	69.3	Low	71	Confident	76 Å²	76	57.3 Å²	57.3	40%	0.398	33%	0.325	S	S	.	.			trans	-103.2	156.3	-179.8	-66.7	175.9	0	0	0	110.9	A719 L722 Q728 V729	A719-L724 CarbonylContact C-O 3.58Å; A719-L724 WeakPolarHBondContact CA-O 3.47Å; A719-L724 VanDerWaalsContact CB-O 3.28Å; A719-L724 WeakPolarHBondContact CB-O 3.15Å; A719-L724 PolarHBondContact O-N 2.95Å; L722-L724 HydrophobicContact CB-CB 4.47Å; L722-L724 HydrophobicContact CB-CD1 4.03Å; L722-L724 HydrophobicContact CB-CG 4.04Å; L722-L724 HydrophobicContact CD1-CD1 4.16Å; L722-L724 PolarHBondContact O-N 3.35Å; L724-Q728 HydrophobicContact CB-CB 4.4Å; L724-V729 HydrophobicContact CB-CG2 4.02Å; L724-V729 HydrophobicContact CD1-CG2 4.49Å
725	S	77.1	Confident	72.5	Confident	57 Å²	57	56.1 Å²	56.1	40%	0.399	32%	0.316	S	S	.	.			trans	-68.4	147.7	169	67.5	0	0	0	0	110.5	V727 Q728 V729	S725-V727 PolarHBondContact O-N 2.69Å; S725-V727 VanDerWaalsContact O-N 3.11Å; S725-Q728 WeakPolarHBondContact O-CB 3.5Å; S725-Q728 PolarHBondContact O-N 3.12Å; S725-Q728 VanDerWaalsContact OG-CD 3.24Å; S725-Q728 WeakPolarHBondContact OG-CG 3.33Å; S725-Q728 PolarHBondContact OG-N 2.89Å; S725-Q728 PolarHBondContact OG-OE1 2.86Å; S725-V729 PolarHBondContact O-N 3.34Å; S725-V729 VanDerWaalsContact O-N 3.13Å
726	Q	77.8	Confident	74	Confident	41 Å²	41	57.8 Å²	57.8	19%	0.192	33%	0.331	C	S	.	.	H	α-helix	trans	-54.8	-33.4	177.3	-171.9	174.7	5	0	0	112.3	L423 I427 P715 V729 V730	L423-Q726 HydrophobicContact CD2-CG 4.32Å; I427-Q726 HydrophobicContact CD1-CB 4.16Å; I427-Q726 VanDerWaalsContact CD1-CD 3.47Å; I427-Q726 HydrophobicContact CD1-CG 3.9Å; I427-Q726 VanDerWaalsContact CD1-OE1 3.3Å; P715-Q726 HydrophobicContact CB-CG 3.97Å; Q726-V729 PolarHBondContact O-N 3.04Å; Q726-V730 VanDerWaalsContact O-CG2 3.28Å; Q726-V730 WeakPolarHBondContact O-CG2 3.4Å; Q726-V730 PolarHBondContact O-N 3.32Å; Q726-V730 VanDerWaalsContact O-N 3.13Å
727	V	81.2	Confident	75.5	Confident	10 Å²	10	52.2 Å²	52.2	6%	0.061	30%	0.302	C	S	.	.	H	α-helix	trans	-67.1	-38.7	176.9	-178.6	0	0	0	0	111.9	V424 I427 F518 P519 S725 K731	V424-V727 HydrophobicContact CG1-CG1 4.02Å; V424-V727 HydrophobicContact CG1-CG2 4.22Å; V424-V727 HydrophobicContact CG2-CG1 4.3Å; V424-V727 HydrophobicContact CG2-CG2 4.25Å; I427-V727 HydrophobicContact CG2-CG2 4.14Å; F518-V727 HydrophobicContact CB-CG1 4.47Å; F518-V727 HydrophobicContact CD1-CG1 4.06Å; P519-V727 HydrophobicContact CG-CG1 4.19Å; S725-V727 PolarHBondContact O-N 2.69Å; S725-V727 VanDerWaalsContact O-N 3.11Å; V727-K731 WeakPolarHBondContact O-CB 3.46Å; V727-K731 PolarHBondContact O-N 3.08Å
728	Q	80.2	Confident	77.1	Confident	54 Å²	54	44 Å²	44	25%	0.252	27%	0.271	S	S	.	.	H	α-helix	trans	-68.6	-38.6	176.7	-75.8	165.5	-36.1	0	0	112.2	L724 S725 K731 A732	L724-Q728 HydrophobicContact CB-CB 4.4Å; S725-Q728 WeakPolarHBondContact O-CB 3.5Å; S725-Q728 PolarHBondContact O-N 3.12Å; S725-Q728 VanDerWaalsContact OG-CD 3.24Å; S725-Q728 WeakPolarHBondContact OG-CG 3.33Å; S725-Q728 PolarHBondContact OG-N 2.89Å; S725-Q728 PolarHBondContact OG-OE1 2.86Å; Q728-K731 WeakPolarHBondContact O-CB 3.32Å; Q728-K731 PolarHBondContact O-N 3.29Å; Q728-A732 WeakPolarHBondContact O-CB 3.49Å; Q728-A732 PolarHBondContact O-N 3.3Å
729	V	82.4	Confident	78.5	Confident	4 Å²	4	46.2 Å²	46.2	2%	0.024	28%	0.28	C	S	.	.	H	α-helix	trans	-60.8	-51.3	174.9	174.2	0	0	0	0	110.1	F713 P715 L718 A719 L724 S725 Q726 K731 A732 D733	F713-V729 HydrophobicContact CE1-CG1 4.23Å; F713-V729 HydrophobicContact CZ-CG1 4Å; P715-V729 HydrophobicContact CB-CG1 4.48Å; L718-V729 HydrophobicContact CB-CG1 4.43Å; L718-V729 HydrophobicContact CD2-CG1 3.95Å; A719-V729 HydrophobicContact CB-CG2 3.93Å; L724-V729 HydrophobicContact CB-CG2 4.02Å; L724-V729 HydrophobicContact CD1-CG2 4.49Å; S725-V729 PolarHBondContact O-N 3.34Å; S725-V729 VanDerWaalsContact O-N 3.13Å; Q726-V729 PolarHBondContact O-N 3.04Å; V729-K731 VanDerWaalsContact C-N 3.28Å; V729-K731 PolarHBondContact O-N 2.81Å; V729-A732 WeakPolarHBondContact O-CB 3.38Å; V729-A732 PolarHBondContact O-N 3.03Å; V729-A732 VanDerWaalsContact O-N 3.09Å; V729-D733 VanDerWaalsContact O-CG 3.24Å; V729-D733 PolarHBondContact O-N 3.31Å
730	V	84.2	Confident	79.9	Confident	0 Å²	0	51.5 Å²	51.5	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-60.1	-39.1	178.6	174.5	0	0	0	0	112.2	Q420 L423 V424 F518 P715 Q726 D733 L734	Q420-V730 HydrophobicContact CB-CG1 3.58Å; Q420-V730 HydrophobicContact CG-CG1 3.84Å; Q420-V730 VanDerWaalsContact OE1-CG1 3.22Å; L423-V730 HydrophobicContact CD2-CG2 4.12Å; V424-V730 HydrophobicContact CG2-CB 4.45Å; V424-V730 HydrophobicContact CG2-CG1 4.28Å; F518-V730 HydrophobicContact CD1-CG1 4.28Å; F518-V730 HydrophobicContact CE1-CB 4.25Å; F518-V730 HydrophobicContact CE1-CG1 3.52Å; F518-V730 HydrophobicContact CZ-CG1 4.29Å; P715-V730 HydrophobicContact CB-CG2 4.28Å; P715-V730 HydrophobicContact CG-CG2 4.46Å; Q726-V730 VanDerWaalsContact O-CG2 3.28Å; Q726-V730 WeakPolarHBondContact O-CG2 3.4Å; Q726-V730 PolarHBondContact O-N 3.32Å; Q726-V730 VanDerWaalsContact O-N 3.13Å; V730-D733 PolarHBondContact O-N 3.25Å; V730-L734 HydrophobicContact CG1-CD1 4.06Å; V730-L734 HydrophobicContact CG1-CG 4.45Å; V730-L734 WeakPolarHBondContact O-CG 3.39Å; V730-L734 PolarHBondContact O-N 3.48Å
731	K	85.3	Confident	81.4	Confident	21 Å²	21	46.9 Å²	46.9	9%	0.091	27%	0.265	C	S	.	.	H	α-helix	trans	-58.8	-51	173.7	-174.7	180	-176.4	159.2	0	111.3	I514 F518 S520 V727 Q728 V729 D733 L734 L735	I514-K731 HydrophobicContact CG2-CG 3.92Å; F518-K731 HydrophobicContact CB-CB 3.76Å; F518-K731 HydrophobicContact CB-CD 3.78Å; F518-K731 HydrophobicContact CB-CG 3.73Å; F518-K731 HydrophobicContact CD1-CB 4.2Å; F518-K731 HydrophobicContact CG-CB 4.23Å; F518-K731 HydrophobicContact CG-CG 4.46Å; F518-K731 WeakPolarHBondContact O-CD 3.44Å; F518-K731 WeakPolarHBondContact O-CE 2.97Å; F518-K731 PolarHBondContact O-NZ 2.92Å; S520-K731 PolarHBondContact OG-NZ 3.03Å; V727-K731 WeakPolarHBondContact O-CB 3.46Å; V727-K731 PolarHBondContact O-N 3.08Å; Q728-K731 WeakPolarHBondContact O-CB 3.32Å; Q728-K731 PolarHBondContact O-N 3.29Å; V729-K731 VanDerWaalsContact C-N 3.28Å; V729-K731 PolarHBondContact O-N 2.81Å; K731-D733 VanDerWaalsContact C-N 3.29Å; K731-D733 PolarHBondContact O-N 3.11Å; K731-L734 PolarHBondContact O-N 2.91Å; K731-L735 HydrophobicContact CG-CD1 4.02Å; K731-L735 WeakPolarHBondContact O-CB 3.38Å; K731-L735 WeakPolarHBondContact O-CG 3.38Å; K731-L735 PolarHBondContact O-N 3.42Å
732	A	84.8	Confident	82.5	Confident	53 Å²	53	40.7 Å²	40.7	44%	0.438	24%	0.241	S	C	.	.	H	α-helix	trans	-60.7	-41	-179.3	0	0	0	0	0	111.2	Q728 V729 L735 A736	Q728-A732 WeakPolarHBondContact O-CB 3.49Å; Q728-A732 PolarHBondContact O-N 3.3Å; V729-A732 WeakPolarHBondContact O-CB 3.38Å; V729-A732 PolarHBondContact O-N 3.03Å; V729-A732 VanDerWaalsContact O-N 3.09Å; A732-L735 PolarHBondContact O-N 3.36Å; A732-A736 VanDerWaalsContact O-CB 3.31Å; A732-A736 WeakPolarHBondContact O-CB 3.16Å; A732-A736 PolarHBondContact O-N 3.03Å
733	D	84.9	Confident	83.5	Confident	26 Å²	26	43.9 Å²	43.9	14%	0.139	25%	0.253	C	S	.	.	H	α-helix	trans	-64.2	-47.4	178.6	-64.6	-29.6	0	0	0	112.2	L709 F713 V729 V730 K731 L735 A736 A737	L709-D733 HydrophobicContact CD2-CB 4.03Å; F713-D733 WeakPolarHBondContact CE1-OD2 3.28Å; F713-D733 WeakPolarHBondContact CZ-OD1 3.3Å; F713-D733 WeakPolarHBondContact CZ-OD2 2.81Å; V729-D733 VanDerWaalsContact O-CG 3.24Å; V729-D733 PolarHBondContact O-N 3.31Å; V730-D733 PolarHBondContact O-N 3.25Å; K731-D733 VanDerWaalsContact C-N 3.29Å; K731-D733 PolarHBondContact O-N 3.11Å; D733-L735 VanDerWaalsContact C-N 3.32Å; D733-L735 PolarHBondContact O-N 3.2Å; D733-A736 PolarHBondContact O-N 2.72Å; D733-A737 VanDerWaalsContact O-CB 3.24Å; D733-A737 WeakPolarHBondContact O-CB 3.41Å; D733-A737 PolarHBondContact O-N 2.97Å
734	L	89.2	Confident	84.6	Confident	5 Å²	5	44.6 Å²	44.6	3%	0.026	24%	0.239	C	C	.	.	H	α-helix	trans	-66.7	-33.4	179.1	-69.4	175.8	0	0	0	112.3	A417 Q420 F510 I514 F518 V730 K731 A737 I738	A417-L734 HydrophobicContact CB-CD2 4.22Å; Q420-L734 HydrophobicContact CB-CD1 3.95Å; Q420-L734 HydrophobicContact CG-CD1 4.41Å; Q420-L734 HydrophobicContact CG-CD2 4.24Å; Q420-L734 HydrophobicContact CG-CG 4.49Å; F510-L734 HydrophobicContact CE1-CB 4.38Å; F510-L734 HydrophobicContact CZ-CD2 4.44Å; I514-L734 HydrophobicContact CD1-CB 4.24Å; I514-L734 HydrophobicContact CD1-CD1 3.68Å; I514-L734 HydrophobicContact CG1-CB 4.2Å; I514-L734 HydrophobicContact CG1-CD1 4.5Å; I514-L734 HydrophobicContact CG2-CB 4.34Å; F518-L734 HydrophobicContact CE1-CD1 4.28Å; F518-L734 HydrophobicContact CE2-CD1 4.3Å; F518-L734 HydrophobicContact CZ-CD1 3.82Å; V730-L734 HydrophobicContact CG1-CD1 4.06Å; V730-L734 HydrophobicContact CG1-CG 4.45Å; V730-L734 WeakPolarHBondContact O-CG 3.39Å; V730-L734 PolarHBondContact O-N 3.48Å; K731-L734 PolarHBondContact O-N 2.91Å; L734-A737 WeakPolarHBondContact O-CB 3.47Å; L734-A737 PolarHBondContact O-N 3.12Å; L734-I738 PolarHBondContact O-N 3.18Å; L734-I738 VanDerWaalsContact O-N 3.08Å
735	L	89.1	Confident	85.6	Confident	42 Å²	42	41.6 Å²	41.6	22%	0.22	22%	0.223	C	C	.	.	H	α-helix	trans	-72.1	-43.3	174.5	-71.2	176.6	0	0	0	111.9	Q511 I514 K731 A732 D733 A737 I738 E739	Q511-L735 HydrophobicContact CB-CD2 4.48Å; Q511-L735 HydrophobicContact CG-CD2 4.22Å; I514-L735 HydrophobicContact CB-CD2 4.2Å; I514-L735 HydrophobicContact CG2-CD2 4.12Å; I514-L735 HydrophobicContact CG2-CG 4.04Å; K731-L735 HydrophobicContact CG-CD1 4.02Å; K731-L735 WeakPolarHBondContact O-CB 3.38Å; K731-L735 WeakPolarHBondContact O-CG 3.38Å; K731-L735 PolarHBondContact O-N 3.42Å; A732-L735 PolarHBondContact O-N 3.36Å; D733-L735 VanDerWaalsContact C-N 3.32Å; D733-L735 PolarHBondContact O-N 3.2Å; L735-A737 PolarHBondContact O-N 3.49Å; L735-I738 VanDerWaalsContact O-CG2 3.29Å; L735-I738 WeakPolarHBondContact O-CG2 3.47Å; L735-I738 PolarHBondContact O-N 3.35Å; L735-E739 WeakPolarHBondContact O-CB 3.43Å; L735-E739 PolarHBondContact O-N 2.75Å
736	A	87.9	Confident	86.1	Confident	48 Å²	48	39.9 Å²	39.9	40%	0.397	21%	0.21	S	C	.	.	H	α-helix	trans	-61.6	-27.8	171.4	0	0	0	0	0	111.6	A732 D733 R740	A732-A736 VanDerWaalsContact O-CB 3.31Å; A732-A736 WeakPolarHBondContact O-CB 3.16Å; A732-A736 PolarHBondContact O-N 3.03Å; D733-A736 PolarHBondContact O-N 2.72Å; A736-R740 PolarHBondContact O-N 2.73Å; A736-R740 PolarHBondContact O-NE 3.31Å
737	A	87	Confident	86.5	Confident	2 Å²	2	39.7 Å²	39.7	2%	0.017	21%	0.213	C	C	.	.	H	α-helix	trans	-70.9	-52.9	178.5	0	0	0	0	0	114.3	L413 F708 D733 L734 L735 E739 R740 L741	L413-A737 HydrophobicContact CD1-CB 3.56Å; F708-A737 HydrophobicContact CD1-CB 3.75Å; F708-A737 HydrophobicContact CE1-CB 2.97Å; F708-A737 HydrophobicContact CZ-CB 3.59Å; F708-A737 VanDerWaalsContact CZ-O 3.28Å; F708-A737 WeakPolarHBondContact CZ-O 3.36Å; D733-A737 VanDerWaalsContact O-CB 3.24Å; D733-A737 WeakPolarHBondContact O-CB 3.41Å; D733-A737 PolarHBondContact O-N 2.97Å; L734-A737 WeakPolarHBondContact O-CB 3.47Å; L734-A737 PolarHBondContact O-N 3.12Å; L735-A737 PolarHBondContact O-N 3.49Å; A737-E739 PolarHBondContact O-N 2.74Å; A737-R740 PolarHBondContact O-N 3.19Å; A737-L741 PolarHBondContact O-N 2.97Å
738	I	89.7	Confident	86.7	Confident	0 Å²	0	39.2 Å²	39.2	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-66.3	-25.8	176.3	-168	69.3	0	0	0	111.4	L413 F449 K507 F510 Q511 L734 L735 L741 G742 L745	L413-I738 HydrophobicContact CD2-CB 4.26Å; L413-I738 HydrophobicContact CD2-CD1 3.51Å; L413-I738 HydrophobicContact CD2-CG1 4.48Å; F449-I738 HydrophobicContact CE2-CD1 4.25Å; K507-I738 HydrophobicContact CB-CG1 4.37Å; K507-I738 HydrophobicContact CG-CG1 3.93Å; F510-I738 HydrophobicContact CB-CD1 3.82Å; F510-I738 HydrophobicContact CB-CG1 4.02Å; F510-I738 HydrophobicContact CD1-CB 3.67Å; F510-I738 HydrophobicContact CD1-CD1 4.03Å; F510-I738 HydrophobicContact CD1-CG1 3.85Å; F510-I738 HydrophobicContact CD1-CG2 4.02Å; F510-I738 HydrophobicContact CE1-CB 4.08Å; F510-I738 HydrophobicContact CE1-CG2 4.47Å; F510-I738 HydrophobicContact CG-CB 4.43Å; F510-I738 HydrophobicContact CG-CD1 3.93Å; F510-I738 HydrophobicContact CG-CG1 4.16Å; Q511-I738 HydrophobicContact CG-CG1 4.5Å; Q511-I738 HydrophobicContact CG-CG2 3.69Å; L734-I738 PolarHBondContact O-N 3.18Å; L734-I738 VanDerWaalsContact O-N 3.08Å; L735-I738 VanDerWaalsContact O-CG2 3.29Å; L735-I738 WeakPolarHBondContact O-CG2 3.47Å; L735-I738 PolarHBondContact O-N 3.35Å; I738-L741 HydrophobicContact CD1-CD2 4.38Å; I738-G742 WeakPolarHBondContact O-CA 3.24Å; I738-G742 PolarHBondContact O-N 3.48Å; I738-L745 HydrophobicContact CD1-CD1 3.85Å
739	E	87.9	Confident	86.9	Confident	94 Å²	94	36.7 Å²	36.7	44%	0.439	20%	0.198	S	C	.	.	H	α-helix	trans	-65.1	-49	174.1	-161.8	58.5	-142.6	0	0	111.6	K507 L735 A737 G742	K507-E739 WeakPolarHBondContact CE-OE2 3.27Å; K507-E739 IonicContact NZ-OE1 3.85Å; K507-E739 PolarHBondContact NZ-OE1 2.77Å; K507-E739 IonicContact NZ-OE2 3.26Å; K507-E739 PolarHBondContact NZ-OE2 2.8Å; L735-E739 WeakPolarHBondContact O-CB 3.43Å; L735-E739 PolarHBondContact O-N 2.75Å; A737-E739 PolarHBondContact O-N 2.74Å; E739-G742 PolarHBondContact O-N 2.92Å
740	R	88	Confident	86.9	Confident	122 Å²	122	36.6 Å²	36.6	46%	0.46	20%	0.197	S	C	.	.	H	α-helix	trans	-61.1	-45.5	174.9	-74.6	-177.9	-81.3	166.1	-13.5	112.5	F708 A736 A737 G742 E743	F708-R740 HydrophobicContact CZ-CB 4Å; F708-R740 PolarHBondContact O-NH1 3.03Å; F708-R740 VanDerWaalsContact O-NH1 3.08Å; F708-R740 PolarHBondContact O-NH2 3.4Å; A736-R740 PolarHBondContact O-N 2.73Å; A736-R740 PolarHBondContact O-NE 3.31Å; A737-R740 PolarHBondContact O-N 3.19Å; R740-G742 PolarHBondContact O-N 2.95Å; R740-E743 PolarHBondContact O-N 2.92Å
741	L	88.9	Confident	86.8	Confident	7 Å²	7	38.5 Å²	38.5	4%	0.037	21%	0.208	C	C	.	.	H	α-helix	trans	-67.1	-30.3	177.5	-172	67.5	0	0	0	111.5	E409 L413 A737 I738 E743 I744 L745	E409-L741 HydrophobicContact CB-CD1 3.74Å; L413-L741 HydrophobicContact CB-CD2 4.19Å; L413-L741 HydrophobicContact CD2-CD2 3.53Å; L413-L741 HydrophobicContact CG-CD2 4.5Å; A737-L741 PolarHBondContact O-N 2.97Å; I738-L741 HydrophobicContact CD1-CD2 4.38Å; L741-E743 PolarHBondContact O-N 3.27Å; L741-E743 VanDerWaalsContact O-N 3.14Å; L741-I744 HydrophobicContact CD1-CD1 3.92Å; L741-I744 HydrophobicContact CD1-CG1 4.01Å; L741-I744 VanDerWaalsContact O-CG1 3.27Å; L741-I744 WeakPolarHBondContact O-CG1 3.49Å; L741-I744 PolarHBondContact O-N 3.27Å; L741-L745 HydrophobicContact CD2-CD1 4.27Å; L741-L745 HydrophobicContact CD2-CD2 4.33Å; L741-L745 HydrophobicContact CD2-CG 4.39Å; L741-L745 HydrophobicContact CG-CD1 4.17Å; L741-L745 HydrophobicContact CG-CD2 4.31Å; L741-L745 HydrophobicContact CG-CG 4Å; L741-L745 WeakPolarHBondContact O-CG 3.27Å; L741-L745 PolarHBondContact O-N 2.78Å; L741-L745 VanDerWaalsContact O-N 3.08Å
742	G	86.7	Confident	86.9	Confident	18 Å²	18	39 Å²	39	19%	0.186	21%	0.211	C	C	.	.	H	α-helix	trans	-55.4	-27.8	179	0	0	0	0	0	114.4	I738 E739 R740 I744	I738-G742 WeakPolarHBondContact O-CA 3.24Å; I738-G742 PolarHBondContact O-N 3.48Å; E739-G742 PolarHBondContact O-N 2.92Å; R740-G742 PolarHBondContact O-N 2.95Å; G742-I744 VanDerWaalsContact C-N 3.28Å; G742-I744 PolarHBondContact O-N 3.25Å
743	E	85.3	Confident	87.1	Confident	171 Å²	171	36.5 Å²	36.5	80%	0.799	19%	0.19	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.8	-27.8	177.4	-61.8	-175.9	177.6	0	0	113.2	R740 L741	R740-E743 PolarHBondContact O-N 2.92Å; L741-E743 PolarHBondContact O-N 3.27Å; L741-E743 VanDerWaalsContact O-N 3.14Å
744	I	89.2	Confident	87.2	Confident	85 Å²	85	35.9 Å²	35.9	44%	0.436	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-109.6	-8.8	179.6	63.6	170.5	0	0	0	113.3	M406 L741 G742	M406-I744 HydrophobicContact CB-CD1 4.12Å; M406-I744 HydrophobicContact CB-CG1 4.49Å; M406-I744 HydrophobicContact CG-CD1 4.25Å; M406-I744 HydrophobicContact CG-CG1 4.15Å; M406-I744 WeakPolarHBondContact CG-O 3.33Å; L741-I744 HydrophobicContact CD1-CD1 3.92Å; L741-I744 HydrophobicContact CD1-CG1 4.01Å; L741-I744 VanDerWaalsContact O-CG1 3.27Å; L741-I744 WeakPolarHBondContact O-CG1 3.49Å; L741-I744 PolarHBondContact O-N 3.27Å; G742-I744 VanDerWaalsContact C-N 3.28Å; G742-I744 PolarHBondContact O-N 3.25Å
745	L	91.6	Very high	87.1	Confident	14 Å²	14	39.1 Å²	39.1	7%	0.073	20%	0.204	C	C	.	.	S	Bend	trans	-67	143.9	177.4	-79	173.6	0	0	0	111.3	M406 F449 L453 K507 I738 L741	M406-L745 HydrophobicContact CG-CD2 4.49Å; M406-L745 HydrophobicContact SD-CD2 3.92Å; F449-L745 HydrophobicContact CE2-CD1 4.4Å; F449-L745 HydrophobicContact CZ-CD1 4.37Å; F449-L745 HydrophobicContact CZ-CD2 3.93Å; L453-L745 HydrophobicContact CD2-CD2 3.98Å; K507-L745 HydrophobicContact CB-CD1 4.08Å; I738-L745 HydrophobicContact CD1-CD1 3.85Å; L741-L745 HydrophobicContact CD2-CD1 4.27Å; L741-L745 HydrophobicContact CD2-CD2 4.33Å; L741-L745 HydrophobicContact CD2-CG 4.39Å; L741-L745 HydrophobicContact CG-CD1 4.17Å; L741-L745 HydrophobicContact CG-CD2 4.31Å; L741-L745 HydrophobicContact CG-CG 4Å; L741-L745 WeakPolarHBondContact O-CG 3.27Å; L741-L745 PolarHBondContact O-N 2.78Å; L741-L745 VanDerWaalsContact O-N 3.08Å
746	P	87.4	Confident	87.2	Confident	20 Å²	20	39.6 Å²	39.6	13%	0.13	21%	0.205	C	C	.	.			trans	-66.5	148.6	178.1	27.5	-33.6	0	0	0	111.4	L453 A456 S504	L453-P746 HydrophobicContact CD2-CG 3.55Å; A456-P746 HydrophobicContact CB-CB 3.49Å; A456-P746 VanDerWaalsContact CB-CB 3.49Å; A456-P746 HydrophobicContact CB-CG 3.53Å; S504-P746 WeakPolarHBondContact CB-O 2.92Å; S504-P746 PolarHBondContact OG-O 3.22Å
747	P	85.4	Confident	87.5	Confident	37 Å²	37	37.6 Å²	37.6	24%	0.24	19%	0.187	C	C	.	.			trans	-67.8	176.4	174	31.1	-36.2	0	0	0	111.3	F502 T749 E752	F502-P747 HydrophobicContact CB-CB 3.62Å; F502-P747 HydrophobicContact CG-CB 4.38Å; P747-T749 PolarHBondContact O-N 3.33Å; P747-T749 VanDerWaalsContact O-N 3.09Å; P747-E752 HydrophobicContact CG-CB 4.08Å; P747-E752 HydrophobicContact CG-CG 4.17Å
748	N	84.6	Confident	87.5	Confident	0 Å²	0	38.9 Å²	38.9	0%	0	20%	0.2	C	C	.	.			trans	-54.6	119.2	169.5	-176	-12.6	0	0	0	110.9	T488 V503 T505 L750 D751 E752	T488-N748 HydrophobicContact CG2-CB 4.17Å; T488-N748 VanDerWaalsContact CG2-ND2 3.3Å; T488-N748 WeakPolarHBondContact CG2-ND2 3.12Å; V503-N748 PolarHBondContact O-N 2.87Å; T505-N748 HydrophobicContact CG2-CB 3.73Å; N748-L750 VanDerWaalsContact C-N 3.26Å; N748-L750 PolarHBondContact O-N 3.29Å; N748-L750 PolarHBondContact OD1-N 3.09Å; N748-D751 HydrophobicContact CB-CB 4.11Å; N748-D751 VanDerWaalsContact CB-OD2 3.23Å; N748-D751 WeakPolarHBondContact CB-OD2 3.49Å; N748-D751 VanDerWaalsContact CG-OD2 3.25Å; N748-D751 PolarHBondContact ND2-OD2 2.74Å; N748-D751 PolarHBondContact O-N 3.3Å; N748-E752 WeakPolarHBondContact O-CB 3.48Å; N748-E752 PolarHBondContact O-N 3.03Å
749	T	84.5	Confident	87.4	Confident	2 Å²	2	39.2 Å²	39.2	1%	0.012	20%	0.204	C	C	.	.	H	α-helix	trans	-56	-36.1	-178.6	58.9	0	0	0	0	113.8	I455 A456 V459 P747 L753	I455-T749 HydrophobicContact CB-CG2 4.11Å; I455-T749 HydrophobicContact CG2-CG2 3.74Å; A456-T749 HydrophobicContact CB-CG2 3.97Å; V459-T749 HydrophobicContact CG2-CG2 4.12Å; P747-T749 PolarHBondContact O-N 3.33Å; P747-T749 VanDerWaalsContact O-N 3.09Å; T749-L753 VanDerWaalsContact O-CB 3.26Å; T749-L753 WeakPolarHBondContact O-CB 3.41Å; T749-L753 WeakPolarHBondContact O-CD1 3.33Å; T749-L753 WeakPolarHBondContact O-CG 3.45Å; T749-L753 PolarHBondContact O-N 3.01Å
750	L	82.8	Confident	87.2	Confident	1 Å²	1	38.8 Å²	38.8	1%	0.005	21%	0.209	C	C	.	.	H	α-helix	trans	-73.7	-45.3	-178.9	-179.7	53.5	0	0	0	111.3	L480 T483 E485 N748 L753 I754 E765 I794	L480-L750 HydrophobicContact CD1-CD1 4.12Å; T483-L750 HydrophobicContact CG2-CD2 3.68Å; E485-L750 HydrophobicContact CG-CD2 3.8Å; E485-L750 WeakPolarHBondContact OE1-CD2 3.45Å; N748-L750 VanDerWaalsContact C-N 3.26Å; N748-L750 PolarHBondContact O-N 3.29Å; N748-L750 PolarHBondContact OD1-N 3.09Å; L750-L753 WeakPolarHBondContact O-CB 3.36Å; L750-L753 PolarHBondContact O-N 3.34Å; L750-I754 HydrophobicContact CD1-CD1 3.87Å; L750-I754 HydrophobicContact CD1-CG1 4.22Å; L750-I754 HydrophobicContact CG-CD1 3.98Å; L750-I754 VanDerWaalsContact O-CG1 3.28Å; L750-I754 WeakPolarHBondContact O-CG1 3.32Å; L750-I754 PolarHBondContact O-N 2.95Å; L750-E765 WeakPolarHBondContact CD2-OE1 3.1Å; L750-I794 HydrophobicContact CD1-CB 4.49Å; L750-I794 HydrophobicContact CD1-CD1 3.81Å; L750-I794 HydrophobicContact CD1-CG2 3.85Å
751	D	82.7	Confident	87.1	Confident	40 Å²	40	38.8 Å²	38.8	21%	0.214	21%	0.214	C	C	.	.	H	α-helix	trans	-64.4	-42.5	176.9	-61.5	-39.4	0	0	0	111.1	F502 N748 I754 N755	F502-D751 HydrophobicContact CD1-CB 3.74Å; F502-D751 HydrophobicContact CE1-CB 3.79Å; N748-D751 HydrophobicContact CB-CB 4.11Å; N748-D751 VanDerWaalsContact CB-OD2 3.23Å; N748-D751 WeakPolarHBondContact CB-OD2 3.49Å; N748-D751 VanDerWaalsContact CG-OD2 3.25Å; N748-D751 PolarHBondContact ND2-OD2 2.74Å; N748-D751 PolarHBondContact O-N 3.3Å; D751-I754 PolarHBondContact O-N 3.46Å; D751-N755 VanDerWaalsContact O-CB 3.23Å; D751-N755 WeakPolarHBondContact O-CB 3.45Å; D751-N755 PolarHBondContact O-N 2.84Å
752	E	87.1	Confident	86.9	Confident	33 Å²	33	41 Å²	41	15%	0.154	23%	0.226	C	C	.	.	H	α-helix	trans	-59.8	-47.7	174.4	-171.5	-173.3	175.9	0	0	111	V459 P747 N748 I754 N755 E756	V459-E752 HydrophobicContact CG1-CB 4.43Å; V459-E752 HydrophobicContact CG1-CG 3.98Å; P747-E752 HydrophobicContact CG-CB 4.08Å; P747-E752 HydrophobicContact CG-CG 4.17Å; N748-E752 WeakPolarHBondContact O-CB 3.48Å; N748-E752 PolarHBondContact O-N 3.03Å; E752-I754 PolarHBondContact O-N 2.9Å; E752-N755 PolarHBondContact O-N 2.81Å; E752-E756 VanDerWaalsContact O-CB 3.3Å; E752-E756 WeakPolarHBondContact O-CB 3.5Å; E752-E756 PolarHBondContact O-N 2.83Å
753	L	88.9	Confident	87	Confident	0 Å²	0	40.2 Å²	40.2	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-58.6	-48.7	176.1	-80.1	166.5	0	0	0	111.4	V459 C462 V463 I478 L480 T749 L750 L757 I794 L822	V459-L753 HydrophobicContact CG1-CD2 3.89Å; V459-L753 HydrophobicContact CG1-CG 3.97Å; V459-L753 HydrophobicContact CG2-CG 4.37Å; C462-L753 HydrophobicContact CB-CD2 4.27Å; V463-L753 HydrophobicContact CG2-CD2 4Å; I478-L753 HydrophobicContact CD1-CD2 4.49Å; L480-L753 HydrophobicContact CD1-CD1 4.33Å; T749-L753 VanDerWaalsContact O-CB 3.26Å; T749-L753 WeakPolarHBondContact O-CB 3.41Å; T749-L753 WeakPolarHBondContact O-CD1 3.33Å; T749-L753 WeakPolarHBondContact O-CG 3.45Å; T749-L753 PolarHBondContact O-N 3.01Å; L750-L753 WeakPolarHBondContact O-CB 3.36Å; L750-L753 PolarHBondContact O-N 3.34Å; L753-L757 HydrophobicContact CD2-CD1 4.46Å; L753-L757 WeakPolarHBondContact O-CB 3.15Å; L753-L757 WeakPolarHBondContact O-CD1 3.34Å; L753-L757 WeakPolarHBondContact O-CG 3.47Å; L753-L757 PolarHBondContact O-N 2.8Å; L753-I794 HydrophobicContact CB-CD1 4.13Å; L753-L822 HydrophobicContact CD1-CD2 3.78Å
754	I	87.3	Confident	87	Confident	12 Å²	12	32 Å²	32	6%	0.062	18%	0.18	C	C	.	.	H	α-helix	trans	-62.6	-48	-178.9	-69.9	167.1	0	0	0	110.1	L750 D751 E752 L757 G758 G759 P760 V763 I794	L750-I754 HydrophobicContact CD1-CD1 3.87Å; L750-I754 HydrophobicContact CD1-CG1 4.22Å; L750-I754 HydrophobicContact CG-CD1 3.98Å; L750-I754 VanDerWaalsContact O-CG1 3.28Å; L750-I754 WeakPolarHBondContact O-CG1 3.32Å; L750-I754 PolarHBondContact O-N 2.95Å; D751-I754 PolarHBondContact O-N 3.46Å; E752-I754 PolarHBondContact O-N 2.9Å; I754-L757 PolarHBondContact O-N 3.3Å; I754-G758 PolarHBondContact O-N 3.17Å; I754-G759 WeakPolarHBondContact O-CA 3Å; I754-G759 PolarHBondContact O-N 2.89Å; I754-P760 HydrophobicContact CG2-CB 4.22Å; I754-V763 HydrophobicContact CG1-CG1 4.31Å; I754-I794 HydrophobicContact CG1-CD1 3.95Å
755	N	87.6	Confident	86.7	Confident	74 Å²	74	29.2 Å²	29.2	40%	0.396	17%	0.165	S	C	.	.	H	α-helix	trans	-61.2	-50.6	179.8	-177.8	48.2	0	0	0	111.8	F502 D751 E752 L757 G758	F502-N755 HydrophobicContact CE2-CB 4.29Å; F502-N755 HydrophobicContact CZ-CB 3.67Å; D751-N755 VanDerWaalsContact O-CB 3.23Å; D751-N755 WeakPolarHBondContact O-CB 3.45Å; D751-N755 PolarHBondContact O-N 2.84Å; E752-N755 PolarHBondContact O-N 2.81Å; N755-L757 VanDerWaalsContact C-N 3.26Å; N755-L757 PolarHBondContact O-N 3.02Å; N755-G758 PolarHBondContact O-N 3.06Å
756	E	91.6	Very high	85.8	Confident	52 Å²	52	28.7 Å²	28.7	24%	0.243	16%	0.162	C	C	.	.	H	α-helix	trans	-65.6	-28.3	178.6	-79.4	-64.5	148.8	0	0	112.5	V463 R467 R661 E752 G758	V463-E756 HydrophobicContact CG1-CB 3.97Å; V463-E756 HydrophobicContact CG2-CB 3.78Å; R467-E756 IonicContact CZ-OE2 2.62Å; R467-E756 IonicContact NH1-OE2 2.69Å; R467-E756 PolarHBondContact NH2-O 3.5Å; R467-E756 IonicContact NH2-OE2 3.36Å; R467-E756 PolarHBondContact NH2-OE2 3.33Å; R661-E756 IonicContact CZ-OE1 2.7Å; R661-E756 IonicContact CZ-OE2 3.8Å; R661-E756 IonicContact NH1-OE2 2.76Å; R661-E756 PolarHBondContact NH1-OE2 2.83Å; R661-E756 VanDerWaalsContact NH2-CD 3.32Å; R661-E756 IonicContact NH2-OE1 3.22Å; R661-E756 PolarHBondContact NH2-OE1 2.81Å; R661-E756 IonicContact NH2-OE2 3.73Å; R661-E756 PolarHBondContact NH2-OE2 2.8Å; E752-E756 VanDerWaalsContact O-CB 3.3Å; E752-E756 WeakPolarHBondContact O-CB 3.5Å; E752-E756 PolarHBondContact O-N 2.83Å; E756-G758 PolarHBondContact O-N 3.37Å
757	L	92.6	Very high	85	Confident	6 Å²	6	29.9 Å²	29.9	3%	0.031	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.2	7.4	176	-63.2	171.4	0	0	0	113.3	V463 A466 R467 I478 L753 I754 N755 V763 I792	V463-L757 HydrophobicContact CB-CD2 4.43Å; V463-L757 HydrophobicContact CG1-CD2 4.14Å; V463-L757 HydrophobicContact CG2-CD2 4.34Å; V463-L757 HydrophobicContact CG2-CG 4.39Å; A466-L757 HydrophobicContact CB-CD2 3.85Å; R467-L757 HydrophobicContact CG-CD2 4.44Å; I478-L757 HydrophobicContact CD1-CD1 3.59Å; L753-L757 HydrophobicContact CD2-CD1 4.46Å; L753-L757 WeakPolarHBondContact O-CB 3.15Å; L753-L757 WeakPolarHBondContact O-CD1 3.34Å; L753-L757 WeakPolarHBondContact O-CG 3.47Å; L753-L757 PolarHBondContact O-N 2.8Å; I754-L757 PolarHBondContact O-N 3.3Å; N755-L757 VanDerWaalsContact C-N 3.26Å; N755-L757 PolarHBondContact O-N 3.02Å; L757-V763 HydrophobicContact CB-CG2 3.57Å; L757-I792 HydrophobicContact CB-CD1 4.05Å; L757-I792 HydrophobicContact CD1-CD1 4.34Å; L757-I792 HydrophobicContact CD1-CG2 4.06Å; L757-I792 HydrophobicContact CD2-CD1 3.91Å; L757-I792 HydrophobicContact CG-CD1 4.31Å
758	G	87	Confident	83.7	Confident	28 Å²	28	31.5 Å²	31.5	29%	0.289	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	104	15.2	170	0	0	0	0	0	114.9	I754 N755 E756 Q761 N762	I754-G758 PolarHBondContact O-N 3.17Å; N755-G758 PolarHBondContact O-N 3.06Å; E756-G758 PolarHBondContact O-N 3.37Å; G758-Q761 PolarHBondContact O-NE2 3.25Å; G758-Q761 VanDerWaalsContact O-NE2 3.08Å; G758-N762 PolarHBondContact O-ND2 2.99Å
759	G	87.9	Confident	82.1	Confident	7 Å²	7	34.9 Å²	34.9	7%	0.072	19%	0.188	C	C	.	.			trans	91.8	170.4	175.7	0	0	0	0	0	115.2	I754 Q761 N762 V763	I754-G759 WeakPolarHBondContact O-CA 3Å; I754-G759 PolarHBondContact O-N 2.89Å; G759-Q761 PolarHBondContact O-N 2.9Å; G759-Q761 VanDerWaalsContact O-N 3.13Å; G759-N762 PolarHBondContact O-N 2.81Å; G759-V763 PolarHBondContact O-N 3.4Å
760	P	84.5	Confident	80.3	Confident	85 Å²	85	38.4 Å²	38.4	55%	0.552	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.8	-19.1	-172.6	26.4	-35.9	0	0	0	113.7	I754 N762 V763 K790	I754-P760 HydrophobicContact CG2-CB 4.22Å; P760-N762 VanDerWaalsContact C-N 3.28Å; P760-N762 PolarHBondContact O-N 2.8Å; P760-V763 VanDerWaalsContact O-O 3.11Å; P760-K790 WeakPolarHBondContact O-CE 3.4Å; P760-K790 PolarHBondContact O-NZ 2.98Å
761	Q	84.9	Confident	78.4	Confident	122 Å²	122	44.3 Å²	44.3	57%	0.57	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.8	-20.3	173.6	67.7	-80.8	13.7	0	0	113.5	G758 G759 K790	G758-Q761 PolarHBondContact O-NE2 3.25Å; G758-Q761 VanDerWaalsContact O-NE2 3.08Å; G759-Q761 PolarHBondContact O-N 2.9Å; G759-Q761 VanDerWaalsContact O-N 3.13Å; Q761-K790 WeakPolarHBondContact O-CE 3.34Å
762	N	86.2	Confident	76.9	Confident	53 Å²	53	48 Å²	48	28%	0.283	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.2	-23.6	-175.8	-70.2	-45.7	0	0	0	113.1	G758 G759 P760	G758-N762 PolarHBondContact O-ND2 2.99Å; G759-N762 PolarHBondContact O-N 2.81Å; P760-N762 VanDerWaalsContact C-N 3.28Å; P760-N762 PolarHBondContact O-N 2.8Å
763	V	89	Confident	75.2	Confident	2 Å²	2	51.3 Å²	51.3	1%	0.012	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	127.8	-179.1	-177.2	0	0	0	0	109.6	I754 L757 G759 P760 K790 I792 I794	I754-V763 HydrophobicContact CG1-CG1 4.31Å; L757-V763 HydrophobicContact CB-CG2 3.57Å; G759-V763 PolarHBondContact O-N 3.4Å; P760-V763 VanDerWaalsContact O-O 3.11Å; V763-K790 PolarHBondContact O-NZ 2.8Å; V763-I792 HydrophobicContact CG1-CG2 4.23Å; V763-I794 HydrophobicContact CG1-CD1 3.64Å; V763-I794 HydrophobicContact CG1-CG1 3.66Å
764	A	84	Confident	73.8	Confident	0 Å²	0	52.4 Å²	52.4	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	113.5	176.3	0	0	0	0	0	109.1	E781 F785 K790 I792 A793 I794	A764-E781 VanDerWaalsContact CA-OE2 3.23Å; A764-E781 WeakPolarHBondContact CA-OE2 3.28Å; A764-E781 HydrophobicContact CB-CB 4.5Å; A764-F785 HydrophobicContact CB-CB 3.96Å; A764-K790 HydrophobicContact CB-CB 4.05Å; A764-K790 HydrophobicContact CB-CD 3.77Å; A764-I792 WeakPolarHBondContact CB-O 3.43Å; A764-I792 PolarHBondContact N-O 3.12Å; A764-A793 HydrophobicContact CB-CB 4.07Å; A764-A793 CarbonylContact O-C 3.56Å; A764-A793 WeakPolarHBondContact O-CA 3.47Å; A764-I794 PolarHBondContact O-N 3.08Å
765	E	83	Confident	72.6	Confident	26 Å²	26	54.4 Å²	54.4	12%	0.121	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	126.8	-174.4	-169.7	174.6	-168.3	0	0	110.8	L750 R767 E781	L750-E765 WeakPolarHBondContact CD2-OE1 3.1Å; E765-R767 VanDerWaalsContact CD-CZ 3.43Å; E765-R767 HydrophobicContact CG-CG 4.03Å; E765-R767 IonicContact OE1-CZ 3.66Å; E765-R767 IonicContact OE1-NE 3.31Å; E765-R767 PolarHBondContact OE1-NE 3.19Å; E765-R767 IonicContact OE1-NH2 3.32Å; E765-R767 PolarHBondContact OE1-NH2 2.63Å; E765-R767 IonicContact OE2-CZ 2.99Å; E765-R767 IonicContact OE2-NE 2.71Å; E765-R767 PolarHBondContact OE2-NE 3.25Å; E765-R767 IonicContact OE2-NH2 3.53Å; E765-R767 PolarHBondContact OE2-NH2 3.47Å; E765-E781 WeakPolarHBondContact O-CB 3.44Å; E765-E781 WeakPolarHBondContact O-CG 2.7Å
766	L	73.5	Confident	71.6	Confident	3 Å²	3	58.2 Å²	58.2	2%	0.016	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	113.8	-174.5	-61.4	166.1	0	0	0	108.4	N778 E781 K782 I794 I795 A799 I803 L805	L766-N778 HydrophobicContact CD2-CB 4.3Å; L766-N778 WeakPolarHBondContact CD2-O 3.35Å; L766-E781 HydrophobicContact CD2-CB 3.82Å; L766-K782 HydrophobicContact CD2-CB 4.15Å; L766-I794 PolarHBondContact N-O 3.36Å; L766-I794 VanDerWaalsContact N-O 3.14Å; L766-I795 HydrophobicContact CB-CG2 4.25Å; L766-I795 HydrophobicContact CD1-CG2 3.66Å; L766-A799 HydrophobicContact CB-CB 4.41Å; L766-A799 WeakPolarHBondContact O-CB 3.37Å; L766-I803 HydrophobicContact CB-CD1 4.06Å; L766-I803 HydrophobicContact CD1-CD1 4.28Å; L766-I803 HydrophobicContact CD1-CG2 4.09Å; L766-I803 HydrophobicContact CD2-CD1 4.18Å; L766-I803 HydrophobicContact CG-CD1 4.4Å; L766-L805 HydrophobicContact CD1-CD1 3.94Å; L766-L805 HydrophobicContact CD1-CD2 4.07Å
767	R	70.4	Confident	70.6	Confident	45 Å²	45	59.4 Å²	59.4	17%	0.17	34%	0.344	C	S	.	.			trans	-120.7	174.2	-170.8	-57.9	-170.4	-174	-176.5	3.7	112.6	E485 E765 V774 N778 A799	E485-R767 IonicContact OE1-CZ 3.65Å; E485-R767 IonicContact OE1-NE 3.12Å; E485-R767 PolarHBondContact OE1-NE 3.41Å; E485-R767 IonicContact OE1-NH1 3.43Å; E485-R767 PolarHBondContact OE1-NH1 3.03Å; E485-R767 VanDerWaalsContact OE1-NH1 3.11Å; E485-R767 IonicContact OE1-NH2 2.86Å; E485-R767 PolarHBondContact OE1-NH2 3.44Å; E485-R767 VanDerWaalsContact OE2-CD 3.31Å; E485-R767 WeakPolarHBondContact OE2-CD 3.46Å; E485-R767 IonicContact OE2-CZ 2.65Å; E485-R767 IonicContact OE2-NE 3.97Å; E485-R767 PolarHBondContact OE2-NE 3.27Å; E485-R767 VanDerWaalsContact OE2-NE 3.13Å; E485-R767 IonicContact OE2-NH1 3.41Å; E485-R767 PolarHBondContact OE2-NH1 3.35Å; E485-R767 IonicContact OE2-NH2 3.72Å; E765-R767 VanDerWaalsContact CD-CZ 3.43Å; E765-R767 HydrophobicContact CG-CG 4.03Å; E765-R767 IonicContact OE1-CZ 3.66Å; E765-R767 IonicContact OE1-NE 3.31Å; E765-R767 PolarHBondContact OE1-NE 3.19Å; E765-R767 IonicContact OE1-NH2 3.32Å; E765-R767 PolarHBondContact OE1-NH2 2.63Å; E765-R767 IonicContact OE2-CZ 2.99Å; E765-R767 IonicContact OE2-NE 2.71Å; E765-R767 PolarHBondContact OE2-NE 3.25Å; E765-R767 IonicContact OE2-NH2 3.53Å; E765-R767 PolarHBondContact OE2-NH2 3.47Å; R767-V774 HydrophobicContact CB-CG1 4.31Å; R767-N778 PolarHBondContact N-OD1 3.04Å; R767-N778 VanDerWaalsContact O-CG 3.28Å; R767-N778 PolarHBondContact O-ND2 2.8Å; R767-N778 PolarHBondContact O-OD1 3.19Å; R767-A799 VanDerWaalsContact CA-CB 3.48Å; R767-A799 WeakPolarHBondContact O-CB 3.06Å
768	N	58.4	Low	69.8	Low	71 Å²	71	59.3 Å²	59.3	38%	0.38	34%	0.344	S	S	.	.			trans	-148.3	74.9	167.3	-171.3	7.5	0	0	0	108	A798 A799	N768-A798 HydrophobicContact CB-CB 3.96Å; N768-A798 PolarHBondContact ND2-O 3.3Å; N768-A799 HydrophobicContact CB-CB 4.36Å
769	D	50.6	Low	69.3	Low	70 Å²	70	60.4 Å²	60.4	37%	0.374	34%	0.342	S	S	.	.			trans	-90.1	134.9	166	-58.8	-40.9	0	0	0	106.9	D771 V774	D769-D771 PolarHBondContact O-N 3.31Å; D769-V774 HydrophobicContact CB-CG2 4.23Å
770	G	47.2	Very low	69.1	Low	76 Å²	76	62.7 Å²	62.7	78%	0.784	36%	0.355	S	S	*	.	S	Bend	trans	-63.5	3.8	-165.5	0	0	0	0	0	116.4
771	D	43	Very low	69.2	Low	125 Å²	125	59.4 Å²	59.4	67%	0.668	33%	0.332	S	S	*	.	S	Bend	trans	-95.7	133.7	-179.9	-70.6	-38	0	0	0	112.5	D769 P773 V774	D769-D771 PolarHBondContact O-N 3.31Å; D771-P773 VanDerWaalsContact C-N 3.29Å; D771-P773 VanDerWaalsContact O-CD 3.29Å; D771-P773 WeakPolarHBondContact O-CD 3.41Å; D771-V774 WeakPolarHBondContact O-CB 3.48Å; D771-V774 WeakPolarHBondContact O-CG2 3.39Å; D771-V774 PolarHBondContact O-N 2.84Å
772	V	49.6	Very low	69.3	Low	118 Å²	118	55 Å²	55	72%	0.715	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.9	-12.1	-166	178.4	0	0	0	0	116	V774	V772-V774 VanDerWaalsContact C-N 3.29Å; V772-V774 PolarHBondContact O-N 2.85Å
773	P	52.1	Low	69.4	Low	103 Å²	103	58.1 Å²	58.1	67%	0.669	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.4	-20	166.8	-21.7	35	0	0	0	114.9	D771	D771-P773 VanDerWaalsContact C-N 3.29Å; D771-P773 VanDerWaalsContact O-CD 3.29Å; D771-P773 WeakPolarHBondContact O-CD 3.41Å
774	V	59.7	Low	69.5	Low	22 Å²	22	62.5 Å²	62.5	13%	0.133	34%	0.34	C	S	.	.	H	α-helix	trans	-75.1	-30.4	-170.8	-178.8	0	0	0	0	113	R767 D769 D771 V772 M776 M777 N778	R767-V774 HydrophobicContact CB-CG1 4.31Å; D769-V774 HydrophobicContact CB-CG2 4.23Å; D771-V774 WeakPolarHBondContact O-CB 3.48Å; D771-V774 WeakPolarHBondContact O-CG2 3.39Å; D771-V774 PolarHBondContact O-N 2.84Å; V772-V774 VanDerWaalsContact C-N 3.29Å; V772-V774 PolarHBondContact O-N 2.85Å; V774-M776 VanDerWaalsContact C-N 3.29Å; V774-M776 PolarHBondContact O-N 3.23Å; V774-M777 HydrophobicContact CG1-CE 4.21Å; V774-M777 WeakPolarHBondContact O-CB 3.49Å; V774-M777 PolarHBondContact O-N 2.92Å; V774-M777 VanDerWaalsContact O-N 3.17Å; V774-N778 PolarHBondContact O-N 3.39Å
775	E	61.5	Low	69.9	Low	55 Å²	55	62.5 Å²	62.5	26%	0.257	34%	0.34	S	S	.	.	H	α-helix	trans	-56.8	-43.3	179.1	-65.3	-172.9	170.3	0	0	111.6	S200 M779	S200-E775 VanDerWaalsContact CB-OE1 3.29Å; S200-E775 WeakPolarHBondContact CB-OE1 3.2Å; S200-E775 PolarHBondContact OG-OE1 3.34Å; E775-M779 WeakPolarHBondContact O-CG 3.31Å; E775-M779 PolarHBondContact O-N 2.81Å
776	M	66	Low	70.3	Confident	153 Å²	153	62 Å²	62	75%	0.754	34%	0.338	S	S	*	.	H	α-helix	trans	-74.2	-32.3	-177.8	-150.4	164.3	-164.3	0	0	111.8	V774 T780	V774-M776 VanDerWaalsContact C-N 3.29Å; V774-M776 PolarHBondContact O-N 3.23Å; M776-T780 WeakPolarHBondContact O-CB 3.43Å; M776-T780 PolarHBondContact O-N 3.34Å; M776-T780 VanDerWaalsContact O-N 3.08Å; M776-T780 PolarHBondContact O-OG1 2.9Å
777	M	71.9	Confident	71.3	Confident	77 Å²	77	65.8 Å²	65.8	38%	0.379	36%	0.359	S	S	.	.	H	α-helix	trans	-65.6	-49.1	174.3	-173.2	-179.7	72	0	0	111.2	V774 M779 T780 E781	V774-M777 HydrophobicContact CG1-CE 4.21Å; V774-M777 WeakPolarHBondContact O-CB 3.49Å; V774-M777 PolarHBondContact O-N 2.92Å; V774-M777 VanDerWaalsContact O-N 3.17Å; M777-M779 VanDerWaalsContact C-N 3.29Å; M777-M779 PolarHBondContact O-N 2.73Å; M777-T780 WeakPolarHBondContact O-CB 3.02Å; M777-T780 PolarHBondContact O-N 3.46Å; M777-T780 VanDerWaalsContact O-N 3.12Å; M777-E781 HydrophobicContact CG-CG 4.39Å; M777-E781 WeakPolarHBondContact O-CB 3.44Å; M777-E781 WeakPolarHBondContact O-CG 3.22Å; M777-E781 PolarHBondContact O-N 3.33Å
778	N	75.5	Confident	72.3	Confident	4 Å²	4	65 Å²	65	2%	0.021	36%	0.364	C	S	.	.	H	α-helix	trans	-58.1	-41.8	178.6	-73.1	-24.5	0	0	0	112.7	L766 R767 V774 E781 K782	L766-N778 HydrophobicContact CD2-CB 4.3Å; L766-N778 WeakPolarHBondContact CD2-O 3.35Å; R767-N778 PolarHBondContact N-OD1 3.04Å; R767-N778 VanDerWaalsContact O-CG 3.28Å; R767-N778 PolarHBondContact O-ND2 2.8Å; R767-N778 PolarHBondContact O-OD1 3.19Å; V774-N778 PolarHBondContact O-N 3.39Å; N778-E781 PolarHBondContact O-N 2.88Å; N778-K782 WeakPolarHBondContact O-CB 3.36Å; N778-K782 PolarHBondContact O-N 2.94Å
779	M	77.4	Confident	73.9	Confident	51 Å²	51	65.1 Å²	65.1	25%	0.251	37%	0.371	S	S	.	.	H	α-helix	trans	-66.6	-41.1	177.6	-71.6	-60	-62.9	0	0	111.6	E775 M777 K782 E783	E775-M779 WeakPolarHBondContact O-CG 3.31Å; E775-M779 PolarHBondContact O-N 2.81Å; M777-M779 VanDerWaalsContact C-N 3.29Å; M777-M779 PolarHBondContact O-N 2.73Å; M779-K782 PolarHBondContact O-N 2.73Å; M779-K782 HydrophobicContact SD-CD 4.25Å; M779-E783 WeakPolarHBondContact O-CB 3.3Å; M779-E783 WeakPolarHBondContact O-CG 3.36Å; M779-E783 PolarHBondContact O-N 3.08Å
780	T	82.9	Confident	75.9	Confident	55 Å²	55	62.1 Å²	62.1	34%	0.337	35%	0.354	S	S	.	.	H	α-helix	trans	-63.1	-44.4	176	-56.2	0	0	0	0	111.5	M776 M777 E783 R784	M776-T780 WeakPolarHBondContact O-CB 3.43Å; M776-T780 PolarHBondContact O-N 3.34Å; M776-T780 VanDerWaalsContact O-N 3.08Å; M776-T780 PolarHBondContact O-OG1 2.9Å; M777-T780 WeakPolarHBondContact O-CB 3.02Å; M777-T780 PolarHBondContact O-N 3.46Å; M777-T780 VanDerWaalsContact O-N 3.12Å; T780-E783 PolarHBondContact O-N 2.95Å; T780-R784 VanDerWaalsContact O-CG 3.3Å; T780-R784 WeakPolarHBondContact O-CG 3.09Å; T780-R784 PolarHBondContact O-N 3.11Å
781	E	86.2	Confident	78.1	Confident	17 Å²	17	60 Å²	60	8%	0.079	32%	0.322	C	S	.	.	H	α-helix	trans	-68.7	-38.6	179.5	-73.4	-58.6	141.6	0	0	112.3	A764 E765 L766 M777 N778 R784 F785 K790	A764-E781 VanDerWaalsContact CA-OE2 3.23Å; A764-E781 WeakPolarHBondContact CA-OE2 3.28Å; A764-E781 HydrophobicContact CB-CB 4.5Å; E765-E781 WeakPolarHBondContact O-CB 3.44Å; E765-E781 WeakPolarHBondContact O-CG 2.7Å; L766-E781 HydrophobicContact CD2-CB 3.82Å; M777-E781 HydrophobicContact CG-CG 4.39Å; M777-E781 WeakPolarHBondContact O-CB 3.44Å; M777-E781 WeakPolarHBondContact O-CG 3.22Å; M777-E781 PolarHBondContact O-N 3.33Å; N778-E781 PolarHBondContact O-N 2.88Å; E781-R784 PolarHBondContact O-N 3.39Å; E781-R784 IonicContact OE1-CZ 3.89Å; E781-R784 IonicContact OE1-NE 2.93Å; E781-R784 IonicContact OE1-NH1 2.66Å; E781-R784 PolarHBondContact OE1-NH1 2.83Å; E781-F785 PolarHBondContact O-N 2.96Å; E781-K790 IonicContact OE1-NZ 2.73Å; E781-K790 PolarHBondContact OE1-NZ 3.43Å; E781-K790 WeakPolarHBondContact OE2-CD 3.38Å; E781-K790 WeakPolarHBondContact OE2-CE 3.28Å; E781-K790 IonicContact OE2-NZ 3.15Å; E781-K790 PolarHBondContact OE2-NZ 3.13Å
782	K	86.5	Confident	80.6	Confident	28 Å²	28	54.7 Å²	54.7	12%	0.122	29%	0.294	C	S	.	.	H	α-helix	trans	-59.3	-47.8	170.6	174.9	-169	172.8	-174.8	0	110.9	L766 N778 M779 R784 F785 M786 I803 L805	L766-K782 HydrophobicContact CD2-CB 4.15Å; N778-K782 WeakPolarHBondContact O-CB 3.36Å; N778-K782 PolarHBondContact O-N 2.94Å; M779-K782 PolarHBondContact O-N 2.73Å; M779-K782 HydrophobicContact SD-CD 4.25Å; K782-R784 VanDerWaalsContact C-N 3.33Å; K782-R784 PolarHBondContact O-N 3.43Å; K782-F785 PolarHBondContact O-N 3.47Å; K782-M786 HydrophobicContact CG-CG 4.29Å; K782-M786 WeakPolarHBondContact O-CB 3.18Å; K782-M786 VanDerWaalsContact O-CG 3.23Å; K782-M786 WeakPolarHBondContact O-CG 3.08Å; K782-M786 PolarHBondContact O-N 2.86Å; K782-I803 HydrophobicContact CD-CG2 4.23Å; K782-I803 HydrophobicContact CG-CG2 4.35Å; K782-L805 HydrophobicContact CG-CD2 4.21Å
783	E	88.2	Confident	82.7	Confident	120 Å²	120	49 Å²	49	56%	0.561	26%	0.26	S	S	*	.	H	α-helix	trans	-61.2	-42.9	178.4	-77.7	177.1	-171	0	0	111.7	M779 T780 F785 M786 N787	M779-E783 WeakPolarHBondContact O-CB 3.3Å; M779-E783 WeakPolarHBondContact O-CG 3.36Å; M779-E783 PolarHBondContact O-N 3.08Å; T780-E783 PolarHBondContact O-N 2.95Å; E783-F785 VanDerWaalsContact C-N 3.26Å; E783-F785 PolarHBondContact O-N 3.21Å; E783-M786 PolarHBondContact O-N 3.4Å; E783-N787 WeakPolarHBondContact O-CB 3.29Å; E783-N787 PolarHBondContact O-N 2.87Å; E783-N787 PolarHBondContact O-ND2 3.35Å; E783-N787 PolarHBondContact O-OD1 3.08Å
784	R	91	Very high	84.5	Confident	93 Å²	93	44.3 Å²	44.3	35%	0.351	23%	0.229	S	C	.	.	H	α-helix	trans	-59.8	-35	175.1	-75.3	173.1	180	-176.6	-2.9	113	T780 E781 K782 N787 S789 K790	T780-R784 VanDerWaalsContact O-CG 3.3Å; T780-R784 WeakPolarHBondContact O-CG 3.09Å; T780-R784 PolarHBondContact O-N 3.11Å; E781-R784 PolarHBondContact O-N 3.39Å; E781-R784 IonicContact OE1-CZ 3.89Å; E781-R784 IonicContact OE1-NE 2.93Å; E781-R784 IonicContact OE1-NH1 2.66Å; E781-R784 PolarHBondContact OE1-NH1 2.83Å; K782-R784 VanDerWaalsContact C-N 3.33Å; K782-R784 PolarHBondContact O-N 3.43Å; R784-N787 VanDerWaalsContact C-OD1 3.32Å; R784-N787 WeakPolarHBondContact CA-OD1 3.46Å; R784-N787 PolarHBondContact O-OD1 3.32Å; R784-S789 VanDerWaalsContact C-OG 3.25Å; R784-S789 WeakPolarHBondContact CA-OG 3.3Å; R784-S789 WeakPolarHBondContact CB-OG 3.33Å; R784-S789 PolarHBondContact O-N 3.32Å; R784-S789 PolarHBondContact O-OG 3.19Å; R784-K790 HydrophobicContact CB-CB 4.48Å; R784-K790 HydrophobicContact CB-CD 3.97Å; R784-K790 HydrophobicContact CB-CG 4.15Å; R784-K790 PolarHBondContact O-N 3.03Å
785	F	93.4	Very high	85.7	Confident	0 Å²	0	43.3 Å²	43.3	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-73.2	-45.4	173.7	-177.7	-98.9	0	0	0	112	C475 V476 V477 A764 E781 K782 E783 N787 G788 K790 A793 L805 N813	C475-F785 HydrophobicContact CB-CE2 4.25Å; C475-F785 HydrophobicContact CB-CZ 4.02Å; V476-F785 WeakPolarHBondContact O-CE2 3.4Å; V477-F785 HydrophobicContact CG2-CE1 4.15Å; V477-F785 HydrophobicContact CG2-CE2 4.41Å; V477-F785 HydrophobicContact CG2-CZ 3.65Å; A764-F785 HydrophobicContact CB-CB 3.96Å; E781-F785 PolarHBondContact O-N 2.96Å; K782-F785 PolarHBondContact O-N 3.47Å; E783-F785 VanDerWaalsContact C-N 3.26Å; E783-F785 PolarHBondContact O-N 3.21Å; F785-N787 PolarHBondContact O-N 2.91Å; F785-G788 PolarHBondContact O-N 3.38Å; F785-G788 VanDerWaalsContact O-N 3.17Å; F785-K790 WeakPolarHBondContact CA-O 3.39Å; F785-K790 WeakPolarHBondContact CD2-O 3.48Å; F785-A793 HydrophobicContact CD1-CB 4.47Å; F785-A793 HydrophobicContact CD2-CB 3.55Å; F785-A793 HydrophobicContact CE2-CB 3.72Å; F785-A793 HydrophobicContact CG-CB 3.94Å; F785-A793 HydrophobicContact CZ-CB 4.26Å; F785-L805 HydrophobicContact CD1-CB 4.28Å; F785-L805 HydrophobicContact CD1-CD2 3.75Å; F785-L805 HydrophobicContact CD1-CG 4.49Å; F785-L805 HydrophobicContact CE1-CB 3.95Å; F785-L805 HydrophobicContact CE1-CD2 4.27Å; F785-L805 HydrophobicContact CG-CD2 4.47Å; F785-N813 PolarHBondContact O-ND2 3.28Å
786	M	92.4	Very high	86.4	Confident	16 Å²	16	41.1 Å²	41.1	8%	0.079	21%	0.214	C	C	.	.	H	α-helix	trans	-73.2	-25	-175.2	-67.1	-60.1	-81.3	0	0	113.7	K782 E783 H806 D808 V811 N813	K782-M786 HydrophobicContact CG-CG 4.29Å; K782-M786 WeakPolarHBondContact O-CB 3.18Å; K782-M786 VanDerWaalsContact O-CG 3.23Å; K782-M786 WeakPolarHBondContact O-CG 3.08Å; K782-M786 PolarHBondContact O-N 2.86Å; E783-M786 PolarHBondContact O-N 3.4Å; M786-H806 WeakPolarHBondContact CE-O 3.43Å; M786-D808 HydrophobicContact CE-CB 4.14Å; M786-V811 HydrophobicContact CB-CB 4.39Å; M786-V811 HydrophobicContact CB-CG1 4.28Å; M786-V811 HydrophobicContact CB-CG2 4.41Å; M786-V811 HydrophobicContact CE-CB 4.37Å; M786-V811 HydrophobicContact CE-CG1 3.91Å; M786-V811 HydrophobicContact CE-CG2 3.68Å; M786-V811 WeakPolarHBondContact O-CG2 3.43Å; M786-N813 WeakPolarHBondContact O-CB 3.25Å; M786-N813 PolarHBondContact O-N 2.95Å
787	N	93.5	Very high	86.5	Confident	83 Å²	83	37 Å²	37	44%	0.444	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.2	-10.2	172.3	72.5	13	0	0	0	113.2	E783 R784 F785 S789 S812	E783-N787 WeakPolarHBondContact O-CB 3.29Å; E783-N787 PolarHBondContact O-N 2.87Å; E783-N787 PolarHBondContact O-ND2 3.35Å; E783-N787 PolarHBondContact O-OD1 3.08Å; R784-N787 VanDerWaalsContact C-OD1 3.32Å; R784-N787 WeakPolarHBondContact CA-OD1 3.46Å; R784-N787 PolarHBondContact O-OD1 3.32Å; F785-N787 PolarHBondContact O-N 2.91Å; N787-S789 WeakPolarHBondContact OD1-CB 3.43Å; N787-S789 PolarHBondContact OD1-N 2.98Å; N787-S789 PolarHBondContact OD1-OG 3.22Å; N787-S812 VanDerWaalsContact CA-OG 3.27Å; N787-S812 WeakPolarHBondContact CA-OG 3.38Å; N787-S812 PolarHBondContact O-OG 3.48Å
788	G	91.5	Very high	85.8	Confident	28 Å²	28	35.8 Å²	35.8	29%	0.289	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	90.2	0.9	177.3	0	0	0	0	0	115.7	F785 K790	F785-G788 PolarHBondContact O-N 3.38Å; F785-G788 VanDerWaalsContact O-N 3.17Å; G788-K790 PolarHBondContact O-N 3.16Å
789	S	92	Very high	84.8	Confident	74 Å²	74	35.7 Å²	35.7	52%	0.517	20%	0.195	S	C	.	.	S	Bend	trans	-61.6	-32.8	175.1	69.7	0	0	0	0	112.7	R784 N787	R784-S789 VanDerWaalsContact C-OG 3.25Å; R784-S789 WeakPolarHBondContact CA-OG 3.3Å; R784-S789 WeakPolarHBondContact CB-OG 3.33Å; R784-S789 PolarHBondContact O-N 3.32Å; R784-S789 PolarHBondContact O-OG 3.19Å; N787-S789 WeakPolarHBondContact OD1-CB 3.43Å; N787-S789 PolarHBondContact OD1-N 2.98Å; N787-S789 PolarHBondContact OD1-OG 3.22Å
790	K	92.8	Very high	83.6	Confident	7 Å²	7	34 Å²	34	3%	0.03	19%	0.187	C	C	.	.			trans	-119.3	129.1	172	-68	-177.8	167.3	-168	0	108.4	P760 Q761 V763 A764 E781 R784 F785 G788	P760-K790 WeakPolarHBondContact O-CE 3.4Å; P760-K790 PolarHBondContact O-NZ 2.98Å; Q761-K790 WeakPolarHBondContact O-CE 3.34Å; V763-K790 PolarHBondContact O-NZ 2.8Å; A764-K790 HydrophobicContact CB-CB 4.05Å; A764-K790 HydrophobicContact CB-CD 3.77Å; E781-K790 IonicContact OE1-NZ 2.73Å; E781-K790 PolarHBondContact OE1-NZ 3.43Å; E781-K790 WeakPolarHBondContact OE2-CD 3.38Å; E781-K790 WeakPolarHBondContact OE2-CE 3.28Å; E781-K790 IonicContact OE2-NZ 3.15Å; E781-K790 PolarHBondContact OE2-NZ 3.13Å; R784-K790 HydrophobicContact CB-CB 4.48Å; R784-K790 HydrophobicContact CB-CD 3.97Å; R784-K790 HydrophobicContact CB-CG 4.15Å; R784-K790 PolarHBondContact O-N 3.03Å; F785-K790 WeakPolarHBondContact CA-O 3.39Å; F785-K790 WeakPolarHBondContact CD2-O 3.48Å; G788-K790 PolarHBondContact O-N 3.16Å
791	R	93.7	Very high	82.4	Confident	30 Å²	30	32.5 Å²	32.5	11%	0.113	18%	0.179	C	C	.	.	S	Bend	trans	-99.4	-6.2	-176.7	-65.2	-163.8	-64.8	-167.1	6	113.8	V470 C475 V476 D648	V470-R791 HydrophobicContact CG1-CB 4.32Å; C475-R791 CarbonylContact C-O 3.6Å; C475-R791 WeakPolarHBondContact CA-O 3.34Å; V476-R791 PolarHBondContact N-O 3.45Å; D648-R791 IonicContact OD2-CZ 3.45Å; D648-R791 IonicContact OD2-NH1 2.74Å; D648-R791 PolarHBondContact OD2-NH1 3.42Å; D648-R791 IonicContact OD2-NH2 3.63Å
792	I	95.2	Very high	81.3	Confident	14 Å²	14	32.1 Å²	32.1	7%	0.072	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	132.4	179.9	-57.1	179	0	0	0	106.9	V470 V476 I478 L757 V763 A764	V470-I792 HydrophobicContact CG2-CD1 4.15Å; V470-I792 HydrophobicContact CG2-CG1 3.86Å; V476-I792 HydrophobicContact CB-CG1 4.36Å; V476-I792 CarbonylContact O-C 3.56Å; V476-I792 VanDerWaalsContact O-CA 3.31Å; V476-I792 WeakPolarHBondContact O-CA 3.37Å; I478-I792 HydrophobicContact CD1-CG2 4.26Å; L757-I792 HydrophobicContact CB-CD1 4.05Å; L757-I792 HydrophobicContact CD1-CD1 4.34Å; L757-I792 HydrophobicContact CD1-CG2 4.06Å; L757-I792 HydrophobicContact CD2-CD1 3.91Å; L757-I792 HydrophobicContact CG-CD1 4.31Å; V763-I792 HydrophobicContact CG1-CG2 4.23Å; A764-I792 WeakPolarHBondContact CB-O 3.43Å; A764-I792 PolarHBondContact N-O 3.12Å
793	A	92.9	Very high	80.7	Confident	0 Å²	0	31.2 Å²	31.2	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	141.5	168.5	0	0	0	0	0	110.4	V476 V477 I478 A764 F785 L805	V476-A793 PolarHBondContact O-N 3.46Å; V477-A793 CarbonylContact C-O 3.56Å; V477-A793 VanDerWaalsContact CA-O 3.31Å; V477-A793 WeakPolarHBondContact CA-O 3.33Å; V477-A793 HydrophobicContact CG2-CB 4.5Å; I478-A793 PolarHBondContact N-O 3.23Å; A764-A793 HydrophobicContact CB-CB 4.07Å; A764-A793 CarbonylContact O-C 3.56Å; A764-A793 WeakPolarHBondContact O-CA 3.47Å; F785-A793 HydrophobicContact CD1-CB 4.47Å; F785-A793 HydrophobicContact CD2-CB 3.55Å; F785-A793 HydrophobicContact CE2-CB 3.72Å; F785-A793 HydrophobicContact CG-CB 3.94Å; F785-A793 HydrophobicContact CZ-CB 4.26Å; A793-L805 HydrophobicContact CB-CD1 4.14Å
794	I	90.4	Very high	80.6	Confident	3 Å²	3	25.9 Å²	25.9	2%	0.015	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	127.5	170	-56.5	178.8	0	0	0	107.5	I478 L480 L750 L753 I754 V763 A764 L766	I478-I794 HydrophobicContact CB-CG1 4.23Å; I478-I794 HydrophobicContact CD1-CG1 4.4Å; I478-I794 WeakPolarHBondContact O-CA 3.47Å; L480-I794 HydrophobicContact CD1-CG2 3.59Å; L480-I794 HydrophobicContact CG-CG2 4.25Å; L750-I794 HydrophobicContact CD1-CB 4.49Å; L750-I794 HydrophobicContact CD1-CD1 3.81Å; L750-I794 HydrophobicContact CD1-CG2 3.85Å; L753-I794 HydrophobicContact CB-CD1 4.13Å; I754-I794 HydrophobicContact CG1-CD1 3.95Å; V763-I794 HydrophobicContact CG1-CD1 3.64Å; V763-I794 HydrophobicContact CG1-CG1 3.66Å; A764-I794 PolarHBondContact O-N 3.08Å; L766-I794 PolarHBondContact N-O 3.36Å; L766-I794 VanDerWaalsContact N-O 3.14Å
795	I	85.1	Confident	80.6	Confident	1 Å²	1	21.4 Å²	21.4	1%	0.005	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	131.6	178.7	57.7	172.6	0	0	0	110.5	V477 I478 L480 L766 L805 Q834 R837	V477-I795 HydrophobicContact CG1-CD1 3.8Å; V477-I795 HydrophobicContact CG1-CG1 3.96Å; V477-I795 HydrophobicContact CG1-CG2 4.41Å; I478-I795 WeakPolarHBondContact O-CG1 3.44Å; I478-I795 PolarHBondContact O-N 2.87Å; L480-I795 PolarHBondContact N-O 3.24Å; L766-I795 HydrophobicContact CB-CG2 4.25Å; L766-I795 HydrophobicContact CD1-CG2 3.66Å; I795-L805 HydrophobicContact CG2-CD1 3.59Å; I795-Q834 HydrophobicContact CD1-CG 4.18Å; I795-R837 HydrophobicContact CD1-CB 4.25Å; I795-R837 HydrophobicContact CD1-CG 4.14Å
796	S	76.4	Confident	80.5	Confident	9 Å²	9	21.7 Å²	21.7	6%	0.063	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	156.2	165.9	74.3	0	0	0	0	111.6	L480 A798 A799 S800	L480-S796 CarbonylContact O-C 3.58Å; L480-S796 VanDerWaalsContact O-CA 3.26Å; L480-S796 WeakPolarHBondContact O-CA 3.45Å; S796-A798 VanDerWaalsContact C-N 3.27Å; S796-A798 PolarHBondContact O-N 3.37Å; S796-A799 PolarHBondContact O-N 3.17Å; S796-A799 WeakPolarHBondContact OG-CB 3.47Å; S796-A799 PolarHBondContact OG-N 3.35Å; S796-S800 VanDerWaalsContact O-CB 3.24Å; S796-S800 WeakPolarHBondContact O-CB 3.32Å; S796-S800 PolarHBondContact O-N 3.27Å
797	E	67.8	Low	80.5	Confident	68 Å²	68	21 Å²	21	32%	0.318	13%	0.133	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.9	-45.1	176.3	-172.2	-173.8	-168.4	0	0	110.5	L480 Q481 S800 K830	L480-E797 PolarHBondContact O-N 3.08Å; L480-E797 VanDerWaalsContact O-N 3.07Å; Q481-E797 HydrophobicContact CB-CB 4.47Å; Q481-E797 PolarHBondContact OE1-OE2 3.02Å; E797-S800 PolarHBondContact O-N 3.33Å; E797-S800 PolarHBondContact O-OG 3.26Å; E797-K830 WeakPolarHBondContact OE1-CE 3.48Å; E797-K830 IonicContact OE1-NZ 3.94Å; E797-K830 PolarHBondContact OE1-NZ 2.82Å; E797-K830 IonicContact OE2-NZ 3.66Å
798	A	56.4	Low	80.4	Confident	50 Å²	50	17.4 Å²	17.4	41%	0.413	11%	0.114	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-41.3	-178.4	0	0	0	0	0	113.4	N768 S796 S800 S801	N768-A798 HydrophobicContact CB-CB 3.96Å; N768-A798 PolarHBondContact ND2-O 3.3Å; S796-A798 VanDerWaalsContact C-N 3.27Å; S796-A798 PolarHBondContact O-N 3.37Å; A798-S800 VanDerWaalsContact C-N 3.32Å; A798-S801 PolarHBondContact O-OG 3.03Å
799	A	55.5	Low	80.4	Confident	3 Å²	3	22.4 Å²	22.4	3%	0.025	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68	-30.6	174.8	0	0	0	0	0	113.4	L766 R767 N768 S796 S801 I803	L766-A799 HydrophobicContact CB-CB 4.41Å; L766-A799 WeakPolarHBondContact O-CB 3.37Å; R767-A799 VanDerWaalsContact CA-CB 3.48Å; R767-A799 WeakPolarHBondContact O-CB 3.06Å; N768-A799 HydrophobicContact CB-CB 4.36Å; S796-A799 PolarHBondContact O-N 3.17Å; S796-A799 WeakPolarHBondContact OG-CB 3.47Å; S796-A799 PolarHBondContact OG-N 3.35Å; A799-S801 PolarHBondContact O-N 2.88Å; A799-I803 WeakPolarHBondContact O-CD1 3.42Å; A799-I803 WeakPolarHBondContact O-CG1 3.4Å
800	S	51.6	Low	80.2	Confident	14 Å²	14	24.6 Å²	24.6	10%	0.098	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-8.4	-170.5	75.3	0	0	0	0	114.6	S796 E797 A798 G802 I803 R837	S796-S800 VanDerWaalsContact O-CB 3.24Å; S796-S800 WeakPolarHBondContact O-CB 3.32Å; S796-S800 PolarHBondContact O-N 3.27Å; E797-S800 PolarHBondContact O-N 3.33Å; E797-S800 PolarHBondContact O-OG 3.26Å; A798-S800 VanDerWaalsContact C-N 3.32Å; S800-G802 VanDerWaalsContact C-N 3.31Å; S800-G802 PolarHBondContact O-N 3.11Å; S800-I803 PolarHBondContact O-N 2.95Å; S800-R837 VanDerWaalsContact O-CD 3.27Å; S800-R837 WeakPolarHBondContact O-CD 3.38Å; S800-R837 VanDerWaalsContact O-CZ 3.26Å; S800-R837 PolarHBondContact O-NE 2.82Å; S800-R837 PolarHBondContact O-NH1 3.19Å
801	S	58.9	Low	80	Confident	24 Å²	24	26 Å²	26	17%	0.168	13%	0.13	C	C	.	.	S	Bend	trans	-61.9	80.8	-176.9	-53.6	0	0	0	0	113	A798 A799	A798-S801 PolarHBondContact O-OG 3.03Å; A799-S801 PolarHBondContact O-N 2.88Å
802	G	61.5	Low	79.9	Confident	9 Å²	9	28.6 Å²	28.6	9%	0.093	15%	0.153	C	C	.	.	S	Bend	trans	112.7	-26.4	176.6	0	0	0	0	0	115.1	S800 S804 R840	S800-G802 VanDerWaalsContact C-N 3.31Å; S800-G802 PolarHBondContact O-N 3.11Å; G802-S804 PolarHBondContact O-N 3.4Å; G802-R840 PolarHBondContact O-NH2 3.5Å
803	I	75.4	Confident	79.8	Confident	10 Å²	10	28.4 Å²	28.4	5%	0.051	15%	0.152	C	C	.	.			trans	-56.6	137.4	-176	-60.2	-179.4	0	0	0	111.9	L766 K782 A799 S800 L805 R837 R840	L766-I803 HydrophobicContact CB-CD1 4.06Å; L766-I803 HydrophobicContact CD1-CD1 4.28Å; L766-I803 HydrophobicContact CD1-CG2 4.09Å; L766-I803 HydrophobicContact CD2-CD1 4.18Å; L766-I803 HydrophobicContact CG-CD1 4.4Å; K782-I803 HydrophobicContact CD-CG2 4.23Å; K782-I803 HydrophobicContact CG-CG2 4.35Å; A799-I803 WeakPolarHBondContact O-CD1 3.42Å; A799-I803 WeakPolarHBondContact O-CG1 3.4Å; S800-I803 PolarHBondContact O-N 2.95Å; I803-L805 HydrophobicContact CG2-CD1 4.44Å; I803-L805 HydrophobicContact CG2-CD2 3.88Å; I803-L805 HydrophobicContact CG2-CG 3.91Å; I803-R837 WeakPolarHBondContact O-CD 3.46Å; I803-R840 PolarHBondContact O-NH2 3.1Å
804	S	84.6	Confident	79.9	Confident	7 Å²	7	32.3 Å²	32.3	5%	0.049	17%	0.17	C	C	.	.			trans	-120.2	120.3	-179.6	-162.4	0	0	0	0	110.4	G802 H806 R840	G802-S804 PolarHBondContact O-N 3.4Å; S804-H806 PolarHBondContact OG-CE1 3.47Å; S804-H806 PolarHBondContact OG-ND1 3.25Å; S804-R840 VanDerWaalsContact OG-CD 3.28Å; S804-R840 WeakPolarHBondContact OG-CD 3.4Å; S804-R840 PolarHBondContact OG-NE 2.98Å; S804-R840 PolarHBondContact OG-NH1 3.25Å
805	L	90.9	Very high	80.1	Confident	0 Å²	0	35.9 Å²	35.9	0%	0	19%	0.186	C	C	.	.			trans	-125.8	6.8	-176.1	-58.1	178.3	0	0	0	112.9	V477 L766 K782 F785 A793 I795 I803 R817 R837 T838	V477-L805 HydrophobicContact CG1-CD1 4.02Å; V477-L805 HydrophobicContact CG2-CB 4.35Å; V477-L805 HydrophobicContact CG2-CD1 4.15Å; L766-L805 HydrophobicContact CD1-CD1 3.94Å; L766-L805 HydrophobicContact CD1-CD2 4.07Å; K782-L805 HydrophobicContact CG-CD2 4.21Å; F785-L805 HydrophobicContact CD1-CB 4.28Å; F785-L805 HydrophobicContact CD1-CD2 3.75Å; F785-L805 HydrophobicContact CD1-CG 4.49Å; F785-L805 HydrophobicContact CE1-CB 3.95Å; F785-L805 HydrophobicContact CE1-CD2 4.27Å; F785-L805 HydrophobicContact CG-CD2 4.47Å; A793-L805 HydrophobicContact CB-CD1 4.14Å; I795-L805 HydrophobicContact CG2-CD1 3.59Å; I803-L805 HydrophobicContact CG2-CD1 4.44Å; I803-L805 HydrophobicContact CG2-CD2 3.88Å; I803-L805 HydrophobicContact CG2-CG 3.91Å; L805-R817 PolarHBondContact O-NE 3.1Å; L805-R837 CarbonylContact C-O 3.53Å; L805-R837 WeakPolarHBondContact CA-O 3.44Å; L805-R837 PolarHBondContact N-O 2.71Å; L805-T838 HydrophobicContact CB-CG2 4.4Å
806	H	91.7	Very high	80.5	Confident	6 Å²	6	39.9 Å²	39.9	3%	0.028	20%	0.201	C	C	.	.	S	Bend	trans	-58.8	161.5	175.3	70.3	-61.5	0	0	0	112.3	M786 S804 D808 R817 R837 T838 R840 S841	M786-H806 WeakPolarHBondContact CE-O 3.43Å; S804-H806 PolarHBondContact OG-CE1 3.47Å; S804-H806 PolarHBondContact OG-ND1 3.25Å; H806-D808 IonicContact CE1-OD2 3.92Å; H806-D808 WeakPolarHBondContact NE2-CB 3.3Å; H806-D808 IonicContact NE2-OD2 3.04Å; H806-D808 PolarHBondContact O-N 3.05Å; H806-R817 PolarHBondContact O-NH2 2.94Å; H806-R837 PolarHBondContact N-O 3.15Å; H806-R837 VanDerWaalsContact N-O 3.13Å; H806-T838 WeakPolarHBondContact CA-O 3.39Å; H806-T838 WeakPolarHBondContact CB-O 3.21Å; H806-R840 HydrophobicContact CB-CB 4.27Å; H806-R840 HydrophobicContact CB-CG 4.49Å; H806-S841 PolarHBondContact NE2-O 2.77Å
807	A	92.9	Very high	81.5	Confident	1 Å²	1	39.4 Å²	39.4	1%	0.008	20%	0.198	C	C	.	.			trans	-75.2	63	175.7	0	0	0	0	0	111.1	R817 Q843 V844	A807-R817 HydrophobicContact CB-CG 4.42Å; A807-Q843 CarbonylContact O-C 3.59Å; A807-Q843 WeakPolarHBondContact O-CA 3.48Å; A807-V844 PolarHBondContact O-N 3.12Å
808	D	91.6	Very high	82.8	Confident	7 Å²	7	36.2 Å²	36.2	4%	0.037	18%	0.182	C	C	.	.	B	Isolated β-bridge	trans	-57.8	136	-178.4	-166.8	-26.1	0	0	0	110.5	M786 H806 R810 V811 H814 N842	M786-D808 HydrophobicContact CE-CB 4.14Å; H806-D808 IonicContact CE1-OD2 3.92Å; H806-D808 WeakPolarHBondContact NE2-CB 3.3Å; H806-D808 IonicContact NE2-OD2 3.04Å; H806-D808 PolarHBondContact O-N 3.05Å; D808-R810 PolarHBondContact O-N 2.94Å; D808-R810 WeakPolarHBondContact OD1-CB 3.33Å; D808-R810 WeakPolarHBondContact OD1-CG 3.37Å; D808-R810 PolarHBondContact OD1-N 3.22Å; D808-R810 IonicContact OD1-NE 2.77Å; D808-R810 PolarHBondContact OD1-NE 3.42Å; D808-R810 IonicContact OD2-CZ 2.9Å; D808-R810 IonicContact OD2-NE 3.3Å; D808-R810 PolarHBondContact OD2-NE 3.1Å; D808-R810 IonicContact OD2-NH2 2.73Å; D808-R810 PolarHBondContact OD2-NH2 2.77Å; D808-V811 HydrophobicContact CB-CG1 4.39Å; D808-V811 HydrophobicContact CB-CG2 4.17Å; D808-V811 WeakPolarHBondContact O-CG2 3.48Å; D808-V811 PolarHBondContact O-N 3.16Å; D808-H814 PolarHBondContact O-CE1 3.41Å; D808-H814 PolarHBondContact O-ND1 3.35Å; D808-N842 PolarHBondContact OD1-ND2 3.33Å
809	R	90.5	Very high	84.6	Confident	133 Å²	133	33.8 Å²	33.8	50%	0.502	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-17.5	174.2	-71.1	172.7	-167.7	-168.9	6.1	113.6	H814 N842 Q843 V844	R809-H814 PolarHBondContact O-CE1 3.47Å; R809-N842 WeakPolarHBondContact CD-OD1 3.49Å; R809-N842 WeakPolarHBondContact CG-O 3.47Å; R809-N842 PolarHBondContact N-O 3.43Å; R809-Q843 PolarHBondContact NE-O 3.23Å; R809-V844 HydrophobicContact CB-CG2 4.34Å; R809-V844 HydrophobicContact CG-CG2 3.48Å; R809-V844 VanDerWaalsContact CG-CG2 3.48Å
810	R	87.8	Confident	86.3	Confident	120 Å²	120	33.7 Å²	33.7	45%	0.453	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.5	-18.3	-178.3	-63.7	176.3	-66.1	-174	-0.9	114.5	D212 D808	D212-R810 IonicContact OD1-NH1 3.78Å; D212-R810 PolarHBondContact OD1-NH1 2.93Å; D212-R810 IonicContact OD2-NH1 3.87Å; D212-R810 PolarHBondContact OD2-NH1 3.15Å; D808-R810 PolarHBondContact O-N 2.94Å; D808-R810 WeakPolarHBondContact OD1-CB 3.33Å; D808-R810 WeakPolarHBondContact OD1-CG 3.37Å; D808-R810 PolarHBondContact OD1-N 3.22Å; D808-R810 IonicContact OD1-NE 2.77Å; D808-R810 PolarHBondContact OD1-NE 3.42Å; D808-R810 IonicContact OD2-CZ 2.9Å; D808-R810 IonicContact OD2-NE 3.3Å; D808-R810 PolarHBondContact OD2-NE 3.1Å; D808-R810 IonicContact OD2-NH2 2.73Å; D808-R810 PolarHBondContact OD2-NH2 2.77Å
811	V	89.5	Confident	88	Confident	37 Å²	37	33 Å²	33	22%	0.224	16%	0.157	C	C	.	.	S	Bend	trans	-103.5	155.5	-176.5	-55.1	0	0	0	0	110.5	M786 D808 N813 H814	M786-V811 HydrophobicContact CB-CB 4.39Å; M786-V811 HydrophobicContact CB-CG1 4.28Å; M786-V811 HydrophobicContact CB-CG2 4.41Å; M786-V811 HydrophobicContact CE-CB 4.37Å; M786-V811 HydrophobicContact CE-CG1 3.91Å; M786-V811 HydrophobicContact CE-CG2 3.68Å; M786-V811 WeakPolarHBondContact O-CG2 3.43Å; D808-V811 HydrophobicContact CB-CG1 4.39Å; D808-V811 HydrophobicContact CB-CG2 4.17Å; D808-V811 WeakPolarHBondContact O-CG2 3.48Å; D808-V811 PolarHBondContact O-N 3.16Å; V811-N813 VanDerWaalsContact C-N 3.32Å; V811-N813 PolarHBondContact O-N 2.76Å; V811-H814 PolarHBondContact O-CE1 3.14Å; V811-H814 PolarHBondContact O-ND1 3.24Å; V811-H814 PolarHBondContact O-NE2 3.48Å
812	S	90.8	Very high	89.4	Confident	85 Å²	85	31.9 Å²	31.9	59%	0.594	15%	0.149	S	C	*	.	S	Bend	trans	-64.9	-32.2	-178.5	53.4	0	0	0	0	113.9	N787 H814	N787-S812 VanDerWaalsContact CA-OG 3.27Å; N787-S812 WeakPolarHBondContact CA-OG 3.38Å; N787-S812 PolarHBondContact O-OG 3.48Å; S812-H814 PolarHBondContact O-N 3.03Å; S812-H814 VanDerWaalsContact O-N 3.17Å
813	N	93.7	Very high	90.3	Very high	9 Å²	9	32 Å²	32	5%	0.048	15%	0.147	C	C	.	.			trans	-86	88.5	-177	-174.2	5.5	0	0	0	113.1	C475 F785 M786 V811 K815 R817	C475-N813 PolarHBondContact SG-ND2 3.04Å; F785-N813 PolarHBondContact O-ND2 3.28Å; M786-N813 WeakPolarHBondContact O-CB 3.25Å; M786-N813 PolarHBondContact O-N 2.95Å; V811-N813 VanDerWaalsContact C-N 3.32Å; V811-N813 PolarHBondContact O-N 2.76Å; N813-K815 WeakPolarHBondContact OD1-CB 3.42Å; N813-K815 WeakPolarHBondContact OD1-CG 3.3Å; N813-K815 PolarHBondContact OD1-N 3.18Å; N813-R817 PolarHBondContact O-NH1 3.08Å; N813-R817 PolarHBondContact O-NH2 3.42Å; N813-R817 PolarHBondContact OD1-NH1 3.21Å
814	H	93.9	Very high	90.2	Very high	82 Å²	82	32.4 Å²	32.4	38%	0.38	15%	0.149	S	C	.	.			trans	-88.3	7.1	176.6	-53.9	-55.9	0	0	0	115.2	D808 R809 V811 S812 V844	D808-H814 PolarHBondContact O-CE1 3.41Å; D808-H814 PolarHBondContact O-ND1 3.35Å; R809-H814 PolarHBondContact O-CE1 3.47Å; V811-H814 PolarHBondContact O-CE1 3.14Å; V811-H814 PolarHBondContact O-ND1 3.24Å; V811-H814 PolarHBondContact O-NE2 3.48Å; S812-H814 PolarHBondContact O-N 3.03Å; S812-H814 VanDerWaalsContact O-N 3.17Å; H814-V844 HydrophobicContact CB-CB 4.34Å; H814-V844 HydrophobicContact CB-CG1 4.4Å; H814-V844 HydrophobicContact CB-CG2 4.08Å
815	K	94.7	Very high	89.3	Confident	79 Å²	79	32.1 Å²	32.1	34%	0.343	15%	0.148	S	C	.	.	P	Polyproline II helix	trans	-58.7	143.8	-177	-69.5	178.7	170.9	-178.3	0	112	G473 C475 N813 R817	G473-K815 WeakPolarHBondContact O-CD 3.27Å; G473-K815 WeakPolarHBondContact O-CG 3.26Å; C475-K815 HydrophobicContact CB-CB 4.33Å; N813-K815 WeakPolarHBondContact OD1-CB 3.42Å; N813-K815 WeakPolarHBondContact OD1-CG 3.3Å; N813-K815 PolarHBondContact OD1-N 3.18Å; K815-R817 PolarHBondContact O-N 2.78Å; K815-R817 PolarHBondContact O-NH1 3.25Å
816	R	95.2	Very high	88.2	Confident	84 Å²	84	37.3 Å²	37.3	32%	0.317	17%	0.167	S	C	.	.	P	Polyproline II helix	trans	-57.9	135	177.9	-167.1	176.7	-172.8	-171.8	4.8	110.9	G389 K474 C475 S845 S846 E848	G389-R816 PolarHBondContact O-NH2 3.28Å; G389-R816 VanDerWaalsContact O-NH2 3.09Å; K474-R816 WeakPolarHBondContact CB-O 2.95Å; C475-R816 PolarHBondContact N-O 2.84Å; R816-S845 WeakPolarHBondContact CA-OG 3.29Å; R816-S846 PolarHBondContact NE-O 3.45Å; R816-E848 WeakPolarHBondContact CD-OE1 3.03Å; R816-E848 IonicContact CZ-OE1 2.7Å; R816-E848 IonicContact NE-OE1 3.26Å; R816-E848 PolarHBondContact NE-OE1 3.41Å; R816-E848 IonicContact NH1-OE1 3.07Å; R816-E848 PolarHBondContact NH1-OE1 3.32Å; R816-E848 IonicContact NH2-OE1 2.95Å
817	R	96.2	Very high	86.6	Confident	0 Å²	0	39 Å²	39	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86	129.2	179.8	-55.7	-54.6	-171.2	-118.1	1.7	110.2	C475 L805 H806 A807 N813 K815 P847 E848	C475-R817 CarbonylContact O-C 3.59Å; C475-R817 WeakPolarHBondContact O-CA 3.49Å; L805-R817 PolarHBondContact O-NE 3.1Å; H806-R817 PolarHBondContact O-NH2 2.94Å; A807-R817 HydrophobicContact CB-CG 4.42Å; N813-R817 PolarHBondContact O-NH1 3.08Å; N813-R817 PolarHBondContact O-NH2 3.42Å; N813-R817 PolarHBondContact OD1-NH1 3.21Å; K815-R817 PolarHBondContact O-N 2.78Å; K815-R817 PolarHBondContact O-NH1 3.25Å; R817-P847 HydrophobicContact CB-CB 4.2Å; R817-P847 CarbonylContact O-C 3.17Å; R817-P847 VanDerWaalsContact O-CA 3.23Å; R817-P847 WeakPolarHBondContact O-CA 3.35Å; R817-E848 PolarHBondContact O-N 3.31Å
818	V	96.2	Very high	85.2	Confident	0 Å²	0	39.3 Å²	39.3	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	112.3	166.7	-179.2	0	0	0	0	107	K474 C475 V476 V477 I820 E848 I850	K474-V818 HydrophobicContact CB-CG2 3.88Å; K474-V818 HydrophobicContact CD-CG2 3.4Å; K474-V818 VanDerWaalsContact CD-CG2 3.4Å; K474-V818 HydrophobicContact CG-CG2 4.26Å; C475-V818 PolarHBondContact O-N 2.98Å; V476-V818 CarbonylContact C-O 3.53Å; V476-V818 VanDerWaalsContact CA-O 3.29Å; V476-V818 WeakPolarHBondContact CA-O 3.39Å; V476-V818 HydrophobicContact CG2-CB 4.5Å; V477-V818 PolarHBondContact N-O 2.8Å; V818-I820 HydrophobicContact CG1-CG1 4.16Å; V818-E848 CarbonylContact C-O 3.33Å; V818-E848 WeakPolarHBondContact CA-O 3.4Å; V818-E848 HydrophobicContact CG2-CB 4.38Å; V818-I850 HydrophobicContact CG1-CD1 3.5Å; V818-I850 VanDerWaalsContact CG1-CD1 3.5Å; V818-I850 HydrophobicContact CG1-CG1 4.14Å
819	H	93.1	Very high	83.8	Confident	0 Å²	0	41.9 Å²	41.9	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	106.4	-179.9	-166.9	143.9	0	0	0	108.9	V477 Q834 T838 E848 Y849 I850	V477-H819 CarbonylContact O-C 3.49Å; V477-H819 VanDerWaalsContact O-CA 3.27Å; V477-H819 WeakPolarHBondContact O-CA 3.42Å; H819-Q834 PolarHBondContact CE1-O 3.36Å; H819-T838 HydrophobicContact CB-CG2 4.36Å; H819-T838 WeakPolarHBondContact ND1-CG2 3.33Å; H819-T838 PolarHBondContact ND1-OG1 3.12Å; H819-E848 PolarHBondContact N-O 2.97Å; H819-Y849 HydrophobicContact CB-CD1 3.54Å; H819-Y849 HydrophobicContact CB-CE1 3.56Å; H819-Y849 AromaticContact CG-CD1 3.9Å; H819-Y849 AromaticContact CG-CE1 3.71Å; H819-Y849 AromaticContact ND1-CE1 3.69Å; H819-Y849 WeakPolarHBondContact O-CA 3.34Å; H819-I850 PolarHBondContact O-N 3.27Å
820	I	92.5	Very high	82.8	Confident	0 Å²	0	39.7 Å²	39.7	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	116.1	176.6	-55.3	176	0	0	0	107.7	L465 A466 V476 V477 I478 G479 V818 L822 I850 L852	L465-I820 HydrophobicContact CB-CD1 3.92Å; A466-I820 HydrophobicContact CB-CD1 4.17Å; V476-I820 HydrophobicContact CG1-CD1 3.81Å; V476-I820 HydrophobicContact CG1-CG1 4.19Å; V477-I820 PolarHBondContact O-N 2.87Å; I478-I820 CarbonylContact C-O 3.54Å; I478-I820 WeakPolarHBondContact CA-O 3.32Å; G479-I820 PolarHBondContact N-O 3.46Å; V818-I820 HydrophobicContact CG1-CG1 4.16Å; I820-L822 PolarHBondContact O-N 2.98Å; I820-I850 WeakPolarHBondContact CA-O 3.19Å; I820-I850 HydrophobicContact CG1-CB 4.42Å; I820-I850 HydrophobicContact CG1-CD1 4.27Å; I820-L852 HydrophobicContact CG2-CD1 3.43Å; I820-L852 VanDerWaalsContact CG2-CD1 3.43Å; I820-L852 HydrophobicContact CG2-CG 3.97Å
821	T	87.2	Confident	82	Confident	0 Å²	0	34 Å²	34	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	98.8	174.2	-47.5	0	0	0	0	107.5	E823 L824 I850 L852	T821-E823 WeakPolarHBondContact CG2-O 3.42Å; T821-L824 HydrophobicContact CG2-CB 4.42Å; T821-L824 HydrophobicContact CG2-CD1 3.88Å; T821-I850 PolarHBondContact N-O 2.86Å; T821-L852 PolarHBondContact O-N 3.31Å
822	L	88.1	Confident	81.2	Confident	0 Å²	0	33.5 Å²	33.5	0%	0	17%	0.165	C	C	.	.	S	Bend	trans	-74.7	-36.9	-179.7	-171.9	61.9	0	0	0	110.9	I455 K458 V459 C462 I478 G479 L480 L753 I820 L852	I455-L822 HydrophobicContact CG2-CD2 3.79Å; I455-L822 HydrophobicContact CG2-CG 4.17Å; K458-L822 HydrophobicContact CB-CD1 3.42Å; K458-L822 VanDerWaalsContact CB-CD1 3.42Å; K458-L822 HydrophobicContact CB-CG 4.5Å; K458-L822 VanDerWaalsContact CE-O 3.3Å; K458-L822 WeakPolarHBondContact CE-O 3.42Å; K458-L822 PolarHBondContact NZ-O 3.37Å; V459-L822 HydrophobicContact CG2-CD2 4.31Å; C462-L822 HydrophobicContact CB-CD1 3.74Å; I478-L822 HydrophobicContact CG2-CB 4.23Å; G479-L822 PolarHBondContact O-N 2.88Å; G479-L822 VanDerWaalsContact O-N 3.11Å; L480-L822 HydrophobicContact CD2-CB 3.94Å; L480-L822 HydrophobicContact CD2-CD2 3.68Å; L480-L822 HydrophobicContact CD2-CG 4.19Å; L753-L822 HydrophobicContact CD1-CD2 3.78Å; I820-L822 PolarHBondContact O-N 2.98Å; L822-L852 HydrophobicContact CD1-CB 4.4Å; L822-L852 HydrophobicContact CD1-CD1 3.74Å
823	E	80.6	Confident	80.3	Confident	12 Å²	12	32 Å²	32	6%	0.056	15%	0.149	C	C	.	.	S	Bend	trans	-119.8	104.7	175.5	-165.5	-161.6	151.5	0	0	109.5	K451 I455 G479 Q481 S482 T821 P825	K451-E823 VanDerWaalsContact CE-CD 3.42Å; K451-E823 WeakPolarHBondContact CE-OE1 3.41Å; K451-E823 IonicContact NZ-OE1 3.66Å; K451-E823 PolarHBondContact NZ-OE1 3.26Å; K451-E823 IonicContact NZ-OE2 2.71Å; I455-E823 HydrophobicContact CD1-CG 4.21Å; I455-E823 HydrophobicContact CG1-CB 4.44Å; I455-E823 HydrophobicContact CG1-CG 4.27Å; G479-E823 PolarHBondContact O-N 3.18Å; Q481-E823 WeakPolarHBondContact CA-OE2 3.41Å; Q481-E823 WeakPolarHBondContact CB-OE1 3.3Å; Q481-E823 WeakPolarHBondContact CB-OE2 3.23Å; Q481-E823 HydrophobicContact CG-CB 4.38Å; Q481-E823 HydrophobicContact CG-CG 4.02Å; Q481-E823 WeakPolarHBondContact CG-OE1 3.42Å; Q481-E823 PolarHBondContact N-OE2 3.49Å; S482-E823 PolarHBondContact N-OE2 3.28Å; T821-E823 WeakPolarHBondContact CG2-O 3.42Å; E823-P825 WeakPolarHBondContact O-CD 3.2Å
824	L	72.9	Confident	79.5	Confident	18 Å²	18	32 Å²	32	9%	0.094	15%	0.149	C	C	.	.			trans	-76.4	121.8	-179	-166.5	70.1	0	0	0	109.9	T821 F851 F862 A863 V866	T821-L824 HydrophobicContact CG2-CB 4.42Å; T821-L824 HydrophobicContact CG2-CD1 3.88Å; L824-F851 HydrophobicContact CD1-CD1 3.63Å; L824-F851 HydrophobicContact CD1-CE1 3.98Å; L824-F851 HydrophobicContact CD1-CG 4.28Å; L824-F862 HydrophobicContact CD2-CE1 4.23Å; L824-F862 HydrophobicContact CG-CE1 4.48Å; L824-A863 HydrophobicContact CD2-CB 3.66Å; L824-V866 HydrophobicContact CD1-CG1 4.1Å; L824-V866 HydrophobicContact CD2-CB 3.79Å; L824-V866 HydrophobicContact CD2-CG1 3.82Å; L824-V866 HydrophobicContact CD2-CG2 4.37Å; L824-V866 HydrophobicContact CG-CG1 4.11Å
825	P	66.1	Low	78.9	Confident	2 Å²	2	28.2 Å²	28.2	1%	0.013	13%	0.131	C	C	.	.			trans	-63.8	146	177	17.5	-24.6	0	0	0	111.9	E823 S827 K830 A831 F862	E823-P825 WeakPolarHBondContact O-CD 3.2Å; P825-S827 PolarHBondContact O-N 3.02Å; P825-K830 HydrophobicContact CB-CB 3.71Å; P825-K830 HydrophobicContact CB-CD 4.27Å; P825-K830 HydrophobicContact CG-CB 4.03Å; P825-A831 HydrophobicContact CG-CB 3.87Å; P825-F862 WeakPolarHBondContact O-CE1 2.98Å; P825-F862 WeakPolarHBondContact O-CZ 3.4Å
826	W	66.2	Low	78.1	Confident	108 Å²	108	24.6 Å²	24.6	41%	0.409	12%	0.117	S	C	.	.	S	Bend	trans	-64.2	-6.5	-178.7	-66.3	96	0	0	0	115	F862 L963	W826-F862 HydrophobicContact CB-CE2 4.42Å; W826-F862 HydrophobicContact CB-CZ 4.11Å; W826-F862 HydrophobicContact CD2-CD1 4.26Å; W826-F862 HydrophobicContact CD2-CD2 4.48Å; W826-F862 HydrophobicContact CD2-CE1 4.22Å; W826-F862 HydrophobicContact CD2-CE2 4.43Å; W826-F862 HydrophobicContact CD2-CG 4.44Å; W826-F862 HydrophobicContact CD2-CZ 4.36Å; W826-F862 HydrophobicContact CE3-CB 4.27Å; W826-F862 AromaticContact CE3-CD1 3.6Å; W826-F862 HydrophobicContact CE3-CD1 3.6Å; W826-F862 AromaticContact CE3-CD2 3.31Å; W826-F862 HydrophobicContact CE3-CD2 3.31Å; W826-F862 AromaticContact CE3-CE1 3.84Å; W826-F862 HydrophobicContact CE3-CE1 3.84Å; W826-F862 AromaticContact CE3-CE2 3.56Å; W826-F862 HydrophobicContact CE3-CE2 3.56Å; W826-F862 AromaticContact CE3-CG 3.38Å; W826-F862 HydrophobicContact CE3-CG 3.38Å; W826-F862 AromaticContact CE3-CZ 3.87Å; W826-F862 HydrophobicContact CE3-CZ 3.87Å; W826-F862 HydrophobicContact CH2-CB 4.38Å; W826-F862 HydrophobicContact CH2-CD1 4.42Å; W826-F862 HydrophobicContact CH2-CG 4.23Å; W826-F862 HydrophobicContact CZ3-CB 3.63Å; W826-F862 AromaticContact CZ3-CD1 3.69Å; W826-F862 HydrophobicContact CZ3-CD1 3.69Å; W826-F862 AromaticContact CZ3-CD2 3.52Å; W826-F862 HydrophobicContact CZ3-CD2 3.52Å; W826-F862 HydrophobicContact CZ3-CE1 4.4Å; W826-F862 HydrophobicContact CZ3-CE2 4.24Å; W826-F862 AromaticContact CZ3-CG 3.24Å; W826-F862 HydrophobicContact CZ3-CG 3.24Å; W826-F862 VanDerWaalsContact O-CE2 3.3Å; W826-F862 WeakPolarHBondContact O-CE2 3.1Å; W826-F862 WeakPolarHBondContact O-CZ 3.21Å; W826-L963 HydrophobicContact CE3-CD1 4.31Å; W826-L963 HydrophobicContact CH2-CB 4.45Å; W826-L963 HydrophobicContact CZ3-CB 4.44Å; W826-L963 HydrophobicContact CZ3-CD1 3.92Å
827	S	58.9	Low	77.6	Confident	42 Å²	42	22 Å²	22	29%	0.294	11%	0.107	S	C	.	.	S	Bend	trans	-124.1	129.7	179.2	167.5	0	0	0	0	109.8	P825 D829 K830 A831	P825-S827 PolarHBondContact O-N 3.02Å; S827-D829 PolarHBondContact O-N 3.22Å; S827-D829 PolarHBondContact OG-N 3.02Å; S827-K830 WeakPolarHBondContact O-CB 3.36Å; S827-K830 PolarHBondContact O-N 3.33Å; S827-K830 VanDerWaalsContact O-N 3.14Å; S827-K830 PolarHBondContact OG-N 2.71Å; S827-A831 PolarHBondContact O-N 2.9Å
828	A	63.9	Low	77.3	Confident	7 Å²	7	22 Å²	22	6%	0.058	11%	0.107	C	C	.	.	H	α-helix	trans	-58	-35.4	173.2	0	0	0	0	0	111.9	K830 A831 V832 R869	A828-K830 VanDerWaalsContact C-N 3.35Å; A828-K830 PolarHBondContact O-N 2.9Å; A828-A831 WeakPolarHBondContact O-CB 2.8Å; A828-A831 PolarHBondContact O-N 2.86Å; A828-V832 WeakPolarHBondContact O-CG2 3.17Å; A828-V832 PolarHBondContact O-N 2.97Å; A828-R869 HydrophobicContact CB-CG 4.12Å
829	D	62.9	Low	76.9	Confident	61 Å²	61	22.5 Å²	22.5	33%	0.326	11%	0.109	S	C	.	.	H	α-helix	trans	-66.3	-39	178.6	-58.2	-39.3	0	0	0	111.3	T326 S827 V832 Q833 R869	T326-D829 HydrophobicContact CG2-CB 4.39Å; S827-D829 PolarHBondContact O-N 3.22Å; S827-D829 PolarHBondContact OG-N 3.02Å; D829-V832 PolarHBondContact O-N 3.27Å; D829-Q833 WeakPolarHBondContact O-CG 3.36Å; D829-Q833 PolarHBondContact O-N 2.82Å; D829-R869 IonicContact OD1-NH2 3.28Å
830	K	67.9	Low	76.7	Confident	88 Å²	88	24.3 Å²	24.3	38%	0.383	12%	0.116	S	C	.	.	H	α-helix	trans	-64.1	-40.7	172	-74.8	-172.5	167.5	-141.7	0	111.8	E797 P825 S827 A828 Q833 Q834	E797-K830 WeakPolarHBondContact OE1-CE 3.48Å; E797-K830 IonicContact OE1-NZ 3.94Å; E797-K830 PolarHBondContact OE1-NZ 2.82Å; E797-K830 IonicContact OE2-NZ 3.66Å; P825-K830 HydrophobicContact CB-CB 3.71Å; P825-K830 HydrophobicContact CB-CD 4.27Å; P825-K830 HydrophobicContact CG-CB 4.03Å; S827-K830 WeakPolarHBondContact O-CB 3.36Å; S827-K830 PolarHBondContact O-N 3.33Å; S827-K830 VanDerWaalsContact O-N 3.14Å; S827-K830 PolarHBondContact OG-N 2.71Å; A828-K830 VanDerWaalsContact C-N 3.35Å; A828-K830 PolarHBondContact O-N 2.9Å; K830-Q833 WeakPolarHBondContact O-CB 3.3Å; K830-Q833 PolarHBondContact O-N 2.66Å; K830-Q834 PolarHBondContact O-N 2.86Å; K830-Q834 VanDerWaalsContact O-N 3.13Å
831	A	71.9	Confident	76.4	Confident	0 Å²	0	25 Å²	25	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-60.6	-46.4	175.4	0	0	0	0	0	111.3	P825 S827 A828 Q833 Q834 F835 V866 L870	P825-A831 HydrophobicContact CG-CB 3.87Å; S827-A831 PolarHBondContact O-N 2.9Å; A828-A831 WeakPolarHBondContact O-CB 2.8Å; A828-A831 PolarHBondContact O-N 2.86Å; A831-Q833 VanDerWaalsContact C-N 3.3Å; A831-Q833 PolarHBondContact O-N 2.92Å; A831-Q834 WeakPolarHBondContact O-CB 3.39Å; A831-Q834 PolarHBondContact O-N 2.9Å; A831-F835 HydrophobicContact CB-CE2 4.26Å; A831-F835 HydrophobicContact CB-CZ 3.91Å; A831-F835 VanDerWaalsContact O-CD1 3.27Å; A831-F835 WeakPolarHBondContact O-CD1 3.38Å; A831-F835 VanDerWaalsContact O-CG 3.24Å; A831-F835 WeakPolarHBondContact O-CG 3.12Å; A831-F835 PolarHBondContact O-N 2.87Å; A831-V866 HydrophobicContact CB-CG1 4.44Å; A831-L870 HydrophobicContact CB-CD1 4.28Å
832	V	71.8	Confident	76.5	Confident	26 Å²	26	26.6 Å²	26.6	16%	0.158	13%	0.129	C	C	.	.	H	α-helix	trans	-60.7	-37.5	176.2	172.7	0	0	0	0	111.8	P170 A828 D829 Q834 F835 G836 L870 L873	P170-V832 HydrophobicContact CG-CG1 4.39Å; A828-V832 WeakPolarHBondContact O-CG2 3.17Å; A828-V832 PolarHBondContact O-N 2.97Å; D829-V832 PolarHBondContact O-N 3.27Å; V832-Q834 VanDerWaalsContact C-N 3.31Å; V832-Q834 PolarHBondContact O-N 3.22Å; V832-F835 PolarHBondContact O-N 3.03Å; V832-G836 PolarHBondContact O-N 3.26Å; V832-L870 HydrophobicContact CG2-CD2 3.77Å; V832-L873 HydrophobicContact CG2-CD1 4.21Å
833	Q	73	Confident	76.6	Confident	55 Å²	55	27 Å²	27	26%	0.257	13%	0.131	S	C	.	.	H	α-helix	trans	-63.8	-34.8	174.6	-73.3	176	8.6	0	0	113.1	D829 K830 A831 R837	D829-Q833 WeakPolarHBondContact O-CG 3.36Å; D829-Q833 PolarHBondContact O-N 2.82Å; K830-Q833 WeakPolarHBondContact O-CB 3.3Å; K830-Q833 PolarHBondContact O-N 2.66Å; A831-Q833 VanDerWaalsContact C-N 3.3Å; A831-Q833 PolarHBondContact O-N 2.92Å; Q833-R837 PolarHBondContact O-NE 3.4Å; Q833-R837 PolarHBondContact O-NH2 3.23Å
834	Q	76	Confident	77.1	Confident	8 Å²	8	30 Å²	30	4%	0.037	15%	0.15	C	C	.	.	H	α-helix	trans	-72.4	-36.3	174.5	-169.9	173.2	13.1	0	0	111.5	I795 H819 K830 A831 V832 G836 R837	I795-Q834 HydrophobicContact CD1-CG 4.18Å; H819-Q834 PolarHBondContact CE1-O 3.36Å; K830-Q834 PolarHBondContact O-N 2.86Å; K830-Q834 VanDerWaalsContact O-N 3.13Å; A831-Q834 WeakPolarHBondContact O-CB 3.39Å; A831-Q834 PolarHBondContact O-N 2.9Å; V832-Q834 VanDerWaalsContact C-N 3.31Å; V832-Q834 PolarHBondContact O-N 3.22Å; Q834-G836 VanDerWaalsContact C-N 3.3Å; Q834-G836 PolarHBondContact O-N 3.42Å; Q834-R837 VanDerWaalsContact O-CB 3.27Å; Q834-R837 WeakPolarHBondContact O-CB 3.31Å; Q834-R837 WeakPolarHBondContact O-CG 3.14Å; Q834-R837 PolarHBondContact O-N 3.01Å; Q834-R837 VanDerWaalsContact O-N 3.1Å
835	F	80.8	Confident	77.9	Confident	2 Å²	2	30.6 Å²	30.6	1%	0.009	16%	0.156	C	C	.	.	H	α-helix	trans	-66.4	-34.2	174.9	-62	-10	0	0	0	112.4	F392 A831 V832 R837 T838 H839 Y849 F851 L870	F392-F835 HydrophobicContact CE1-CD2 4.28Å; F392-F835 AromaticContact CE1-CE2 3.96Å; F392-F835 HydrophobicContact CE1-CE2 3.96Å; A831-F835 HydrophobicContact CB-CE2 4.26Å; A831-F835 HydrophobicContact CB-CZ 3.91Å; A831-F835 VanDerWaalsContact O-CD1 3.27Å; A831-F835 WeakPolarHBondContact O-CD1 3.38Å; A831-F835 VanDerWaalsContact O-CG 3.24Å; A831-F835 WeakPolarHBondContact O-CG 3.12Å; A831-F835 PolarHBondContact O-N 2.87Å; V832-F835 PolarHBondContact O-N 3.03Å; F835-R837 PolarHBondContact O-N 2.89Å; F835-T838 PolarHBondContact O-N 2.8Å; F835-T838 PolarHBondContact O-OG1 2.73Å; F835-H839 PolarHBondContact O-N 3.49Å; F835-Y849 WeakPolarHBondContact CA-OH 3.18Å; F835-Y849 HydrophobicContact CB-CE1 3.73Å; F835-Y849 HydrophobicContact CB-CE2 4.28Å; F835-Y849 VanDerWaalsContact CB-OH 3.29Å; F835-Y849 WeakPolarHBondContact CB-OH 3.21Å; F835-Y849 AromaticContact CD1-CD1 3.52Å; F835-Y849 HydrophobicContact CD1-CD1 3.52Å; F835-Y849 AromaticContact CD1-CE1 3.26Å; F835-Y849 HydrophobicContact CD1-CE1 3.26Å; F835-Y849 HydrophobicContact CD1-CG 4.4Å; F835-Y849 AromaticContact CD1-CZ 3.94Å; F835-Y849 HydrophobicContact CD2-CD1 4.5Å; F835-Y849 HydrophobicContact CD2-CE1 4.3Å; F835-Y849 HydrophobicContact CD2-CE2 4.4Å; F835-Y849 AromaticContact CE1-CD1 3.79Å; F835-Y849 HydrophobicContact CE1-CD1 3.79Å; F835-Y849 HydrophobicContact CE1-CE1 4.03Å; F835-Y849 HydrophobicContact CE1-CG 4.49Å; F835-Y849 AromaticContact CG-CD1 3.96Å; F835-Y849 HydrophobicContact CG-CD1 3.96Å; F835-Y849 AromaticContact CG-CE1 3.47Å; F835-Y849 HydrophobicContact CG-CE1 3.47Å; F835-Y849 VanDerWaalsContact CG-CE1 3.47Å; F835-Y849 HydrophobicContact CG-CE2 4.2Å; F835-Y849 AromaticContact CG-CZ 3.62Å; F835-Y849 HydrophobicContact CZ-CD1 4.41Å; F835-Y849 PolarHBondContact O-OH 3.08Å; F835-F851 AromaticContact CE1-CE1 3.8Å; F835-F851 HydrophobicContact CE1-CE1 3.8Å; F835-F851 HydrophobicContact CE1-CZ 4.24Å; F835-F851 HydrophobicContact CE2-CE1 4.33Å; F835-F851 AromaticContact CE2-CZ 3.99Å; F835-F851 HydrophobicContact CE2-CZ 3.99Å; F835-F851 AromaticContact CZ-CE1 3.33Å; F835-F851 HydrophobicContact CZ-CE1 3.33Å; F835-F851 AromaticContact CZ-CZ 3.41Å; F835-F851 HydrophobicContact CZ-CZ 3.41Å; F835-F851 VanDerWaalsContact CZ-CZ 3.41Å; F835-L870 HydrophobicContact CD2-CD2 4.31Å; F835-L870 HydrophobicContact CE2-CD1 3.52Å; F835-L870 HydrophobicContact CE2-CD2 3.58Å; F835-L870 HydrophobicContact CE2-CG 4.1Å; F835-L870 HydrophobicContact CZ-CD1 3.66Å
836	G	79.2	Confident	79	Confident	4 Å²	4	31.7 Å²	31.7	4%	0.041	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-7.3	171.4	0	0	0	0	0	114.8	V832 Q834 R840	V832-G836 PolarHBondContact O-N 3.26Å; Q834-G836 VanDerWaalsContact C-N 3.3Å; Q834-G836 PolarHBondContact O-N 3.42Å; G836-R840 VanDerWaalsContact O-CG 3.26Å; G836-R840 WeakPolarHBondContact O-CG 3.16Å; G836-R840 PolarHBondContact O-NE 3.06Å
837	R	83.5	Confident	80.2	Confident	30 Å²	30	26.5 Å²	26.5	11%	0.113	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.1	-35.6	169.8	-50.1	-53.3	132	-175.4	-1.5	112.3	I795 S800 I803 L805 H806 Q833 Q834 F835	I795-R837 HydrophobicContact CD1-CB 4.25Å; I795-R837 HydrophobicContact CD1-CG 4.14Å; S800-R837 VanDerWaalsContact O-CD 3.27Å; S800-R837 WeakPolarHBondContact O-CD 3.38Å; S800-R837 VanDerWaalsContact O-CZ 3.26Å; S800-R837 PolarHBondContact O-NE 2.82Å; S800-R837 PolarHBondContact O-NH1 3.19Å; I803-R837 WeakPolarHBondContact O-CD 3.46Å; L805-R837 CarbonylContact C-O 3.53Å; L805-R837 WeakPolarHBondContact CA-O 3.44Å; L805-R837 PolarHBondContact N-O 2.71Å; H806-R837 PolarHBondContact N-O 3.15Å; H806-R837 VanDerWaalsContact N-O 3.13Å; Q833-R837 PolarHBondContact O-NE 3.4Å; Q833-R837 PolarHBondContact O-NH2 3.23Å; Q834-R837 VanDerWaalsContact O-CB 3.27Å; Q834-R837 WeakPolarHBondContact O-CB 3.31Å; Q834-R837 WeakPolarHBondContact O-CG 3.14Å; Q834-R837 PolarHBondContact O-N 3.01Å; Q834-R837 VanDerWaalsContact O-N 3.1Å; F835-R837 PolarHBondContact O-N 2.89Å
838	T	90.2	Very high	81.7	Confident	0 Å²	0	25.4 Å²	25.4	0%	0	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.9	-14.9	-177.8	52.9	0	0	0	0	114.1	V477 L805 H806 H819 F835 Y849	V477-T838 HydrophobicContact CB-CG2 3.88Å; V477-T838 HydrophobicContact CG1-CG2 4.06Å; V477-T838 HydrophobicContact CG2-CG2 3.64Å; L805-T838 HydrophobicContact CB-CG2 4.4Å; H806-T838 WeakPolarHBondContact CA-O 3.39Å; H806-T838 WeakPolarHBondContact CB-O 3.21Å; H819-T838 HydrophobicContact CB-CG2 4.36Å; H819-T838 WeakPolarHBondContact ND1-CG2 3.33Å; H819-T838 PolarHBondContact ND1-OG1 3.12Å; F835-T838 PolarHBondContact O-N 2.8Å; F835-T838 PolarHBondContact O-OG1 2.73Å; T838-Y849 PolarHBondContact OG1-OH 3.23Å; T838-Y849 VanDerWaalsContact OG1-OH 3.05Å
839	H	87.5	Confident	82.8	Confident	9 Å²	9	25.1 Å²	25.1	4%	0.042	13%	0.132	C	C	.	.			trans	-116.3	107.4	176.2	-167.3	29.1	0	0	0	110.4	L385 S386 F387 F835 Q843 P847 Y849	L385-H839 VanDerWaalsContact CD2-CE1 3.45Å; L385-H839 WeakPolarHBondContact CD2-CE1 3.23Å; S386-H839 PolarHBondContact O-CE1 3Å; S386-H839 PolarHBondContact O-NE2 2.69Å; S386-H839 VanDerWaalsContact O-NE2 3.09Å; F387-H839 AromaticContact CD1-CD2 3.67Å; F387-H839 AromaticContact CD1-NE2 3.89Å; F387-H839 AromaticContact CE1-CD2 3.75Å; F835-H839 PolarHBondContact O-N 3.49Å; H839-Q843 PolarHBondContact CE1-NE2 3.3Å; H839-Q843 VanDerWaalsContact CE1-NE2 3.29Å; H839-Q843 PolarHBondContact ND1-NE2 2.88Å; H839-Q843 VanDerWaalsContact ND1-NE2 3.14Å; H839-Q843 PolarHBondContact ND1-OE1 3.12Å; H839-P847 HydrophobicContact CB-CG 3.85Å; H839-Y849 WeakPolarHBondContact CB-OH 3.19Å
840	R	89.3	Confident	84	Confident	38 Å²	38	22.3 Å²	22.3	14%	0.143	12%	0.117	C	C	.	.			trans	-146.8	163.4	177.9	-59.9	-165.3	-176.8	-168.8	-1.4	110.3	G802 I803 S804 H806 G836 Q843	G802-R840 PolarHBondContact O-NH2 3.5Å; I803-R840 PolarHBondContact O-NH2 3.1Å; S804-R840 VanDerWaalsContact OG-CD 3.28Å; S804-R840 WeakPolarHBondContact OG-CD 3.4Å; S804-R840 PolarHBondContact OG-NE 2.98Å; S804-R840 PolarHBondContact OG-NH1 3.25Å; H806-R840 HydrophobicContact CB-CB 4.27Å; H806-R840 HydrophobicContact CB-CG 4.49Å; G836-R840 VanDerWaalsContact O-CG 3.26Å; G836-R840 WeakPolarHBondContact O-CG 3.16Å; G836-R840 PolarHBondContact O-NE 3.06Å; R840-Q843 WeakPolarHBondContact O-CB 3.49Å; R840-Q843 VanDerWaalsContact O-CG 3.25Å; R840-Q843 WeakPolarHBondContact O-CG 3.39Å; R840-Q843 PolarHBondContact O-OE1 3.41Å
841	S	87.1	Confident	84.7	Confident	16 Å²	16	18.2 Å²	18.2	11%	0.112	10%	0.099	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58	158.8	171.9	53.2	0	0	0	0	112.3	D105 G171 H806 Q843	D105-S841 WeakPolarHBondContact OD2-CA 3.42Å; D105-S841 WeakPolarHBondContact OD2-CB 3.47Å; G171-S841 VanDerWaalsContact O-CB 3.28Å; G171-S841 WeakPolarHBondContact O-CB 3.45Å; G171-S841 PolarHBondContact O-N 3.23Å; G171-S841 PolarHBondContact O-OG 2.94Å; H806-S841 PolarHBondContact NE2-O 2.77Å; S841-Q843 PolarHBondContact O-N 3.17Å
842	N	88.4	Confident	85.3	Confident	32 Å²	32	18.3 Å²	18.3	17%	0.171	10%	0.099	C	C	.	.	T	Hydrogen-bonded Turn	trans	65	22.7	-175.2	-159.8	54.6	0	0	0	113.9	D105 D808 R809	D105-N842 PolarHBondContact OD2-N 3.43Å; D808-N842 PolarHBondContact OD1-ND2 3.33Å; R809-N842 WeakPolarHBondContact CD-OD1 3.49Å; R809-N842 WeakPolarHBondContact CG-O 3.47Å; R809-N842 PolarHBondContact N-O 3.43Å
843	Q	90.3	Very high	85.9	Confident	8 Å²	8	17.5 Å²	17.5	4%	0.037	9%	0.094	C	C	.	.	B	Isolated β-bridge	trans	-79.6	147.2	175.2	62.6	-175.9	34.5	0	0	111.6	A807 R809 H839 R840 S841 S846	A807-Q843 CarbonylContact O-C 3.59Å; A807-Q843 WeakPolarHBondContact O-CA 3.48Å; R809-Q843 PolarHBondContact NE-O 3.23Å; H839-Q843 PolarHBondContact CE1-NE2 3.3Å; H839-Q843 VanDerWaalsContact CE1-NE2 3.29Å; H839-Q843 PolarHBondContact ND1-NE2 2.88Å; H839-Q843 VanDerWaalsContact ND1-NE2 3.14Å; H839-Q843 PolarHBondContact ND1-OE1 3.12Å; R840-Q843 WeakPolarHBondContact O-CB 3.49Å; R840-Q843 VanDerWaalsContact O-CG 3.25Å; R840-Q843 WeakPolarHBondContact O-CG 3.39Å; R840-Q843 PolarHBondContact O-OE1 3.41Å; S841-Q843 PolarHBondContact O-N 3.17Å; Q843-S846 VanDerWaalsContact NE2-CA 3.31Å; Q843-S846 PolarHBondContact NE2-OG 3.45Å; Q843-S846 VanDerWaalsContact NE2-OG 3.08Å
844	V	91.3	Very high	86.4	Confident	76 Å²	76	14.9 Å²	14.9	46%	0.461	8%	0.082	S	C	.	.	S	Bend	trans	-78.8	-35.9	172.2	178	0	0	0	0	111	A807 R809 H814	A807-V844 PolarHBondContact O-N 3.12Å; R809-V844 HydrophobicContact CB-CG2 4.34Å; R809-V844 HydrophobicContact CG-CG2 3.48Å; R809-V844 VanDerWaalsContact CG-CG2 3.48Å; H814-V844 HydrophobicContact CB-CB 4.34Å; H814-V844 HydrophobicContact CB-CG1 4.4Å; H814-V844 HydrophobicContact CB-CG2 4.08Å
845	S	90.5	Very high	86.5	Confident	30 Å²	30	17.7 Å²	17.7	21%	0.21	10%	0.095	C	C	.	.	S	Bend	trans	-143.6	137.2	-175.6	64	0	0	0	0	111.2	R816	R816-S845 WeakPolarHBondContact CA-OG 3.29Å
846	S	88.4	Confident	86.4	Confident	25 Å²	25	17.6 Å²	17.6	18%	0.175	9%	0.094	C	C	.	.			trans	-67.5	140.6	172.5	-62.7	0	0	0	0	112.2	T388 G389 R816 Q843	T388-S846 PolarHBondContact O-OG 3.24Å; G389-S846 VanDerWaalsContact C-CB 3.45Å; G389-S846 WeakPolarHBondContact O-CB 3.29Å; R816-S846 PolarHBondContact NE-O 3.45Å; Q843-S846 VanDerWaalsContact NE2-CA 3.31Å; Q843-S846 PolarHBondContact NE2-OG 3.45Å; Q843-S846 VanDerWaalsContact NE2-OG 3.08Å
847	P	90.7	Very high	85.8	Confident	0 Å²	0	17.7 Å²	17.7	0%	0	10%	0.095	C	C	.	.			trans	-69.6	163.3	-178.8	26.6	-34.3	0	0	0	113.6	V390 R817 H839 Y849	V390-P847 WeakPolarHBondContact CA-O 3.32Å; V390-P847 HydrophobicContact CG2-CG 4.31Å; R817-P847 HydrophobicContact CB-CB 4.2Å; R817-P847 CarbonylContact O-C 3.17Å; R817-P847 VanDerWaalsContact O-CA 3.23Å; R817-P847 WeakPolarHBondContact O-CA 3.35Å; H839-P847 HydrophobicContact CB-CG 3.85Å; P847-Y849 HydrophobicContact CB-CE2 4.26Å; P847-Y849 HydrophobicContact CG-CE2 3.67Å; P847-Y849 WeakPolarHBondContact CG-OH 3.42Å
848	E	91	Very high	84.8	Confident	19 Å²	19	16.2 Å²	16.2	9%	0.089	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	126.4	165.4	-56.8	176.9	-170.7	0	0	108.2	S391 K474 R816 R817 V818 H819	S391-E848 WeakPolarHBondContact OG-CG 3.18Å; K474-E848 WeakPolarHBondContact CE-OE1 3.08Å; K474-E848 IonicContact NZ-OE1 2.83Å; K474-E848 PolarHBondContact NZ-OE1 3.23Å; K474-E848 IonicContact NZ-OE2 3.02Å; K474-E848 PolarHBondContact NZ-OE2 3.45Å; R816-E848 WeakPolarHBondContact CD-OE1 3.03Å; R816-E848 IonicContact CZ-OE1 2.7Å; R816-E848 IonicContact NE-OE1 3.26Å; R816-E848 PolarHBondContact NE-OE1 3.41Å; R816-E848 IonicContact NH1-OE1 3.07Å; R816-E848 PolarHBondContact NH1-OE1 3.32Å; R816-E848 IonicContact NH2-OE1 2.95Å; R817-E848 PolarHBondContact O-N 3.31Å; V818-E848 CarbonylContact C-O 3.33Å; V818-E848 WeakPolarHBondContact CA-O 3.4Å; V818-E848 HydrophobicContact CG2-CB 4.38Å; H819-E848 PolarHBondContact N-O 2.97Å
849	Y	87.5	Confident	83.7	Confident	0 Å²	0	17.6 Å²	17.6	0%	0	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	128.8	176.4	-67.7	-70.9	0	0	0	110.6	V390 S391 F392 R393 H819 F835 T838 H839 P847	V390-Y849 HydrophobicContact CG1-CD2 3.33Å; V390-Y849 HydrophobicContact CG1-CE2 3.43Å; V390-Y849 VanDerWaalsContact CG1-CE2 3.43Å; S391-Y849 PolarHBondContact O-N 3.4Å; F392-Y849 AromaticContact CD1-CD2 3.91Å; F392-Y849 HydrophobicContact CD1-CD2 3.91Å; F392-Y849 HydrophobicContact CD1-CG 4.09Å; F392-Y849 AromaticContact CE1-CD2 3.36Å; F392-Y849 HydrophobicContact CE1-CD2 3.36Å; F392-Y849 HydrophobicContact CE1-CE2 4.17Å; F392-Y849 AromaticContact CE1-CG 3.83Å; F392-Y849 HydrophobicContact CE1-CG 3.83Å; F392-Y849 AromaticContact CZ-CD2 3.74Å; F392-Y849 HydrophobicContact CZ-CD2 3.74Å; F392-Y849 HydrophobicContact CZ-CE2 4.25Å; R393-Y849 PolarHBondContact N-O 3.15Å; H819-Y849 HydrophobicContact CB-CD1 3.54Å; H819-Y849 HydrophobicContact CB-CE1 3.56Å; H819-Y849 AromaticContact CG-CD1 3.9Å; H819-Y849 AromaticContact CG-CE1 3.71Å; H819-Y849 AromaticContact ND1-CE1 3.69Å; H819-Y849 WeakPolarHBondContact O-CA 3.34Å; F835-Y849 WeakPolarHBondContact CA-OH 3.18Å; F835-Y849 HydrophobicContact CB-CE1 3.73Å; F835-Y849 HydrophobicContact CB-CE2 4.28Å; F835-Y849 VanDerWaalsContact CB-OH 3.29Å; F835-Y849 WeakPolarHBondContact CB-OH 3.21Å; F835-Y849 AromaticContact CD1-CD1 3.52Å; F835-Y849 HydrophobicContact CD1-CD1 3.52Å; F835-Y849 AromaticContact CD1-CE1 3.26Å; F835-Y849 HydrophobicContact CD1-CE1 3.26Å; F835-Y849 HydrophobicContact CD1-CG 4.4Å; F835-Y849 AromaticContact CD1-CZ 3.94Å; F835-Y849 HydrophobicContact CD2-CD1 4.5Å; F835-Y849 HydrophobicContact CD2-CE1 4.3Å; F835-Y849 HydrophobicContact CD2-CE2 4.4Å; F835-Y849 AromaticContact CE1-CD1 3.79Å; F835-Y849 HydrophobicContact CE1-CD1 3.79Å; F835-Y849 HydrophobicContact CE1-CE1 4.03Å; F835-Y849 HydrophobicContact CE1-CG 4.49Å; F835-Y849 AromaticContact CG-CD1 3.96Å; F835-Y849 HydrophobicContact CG-CD1 3.96Å; F835-Y849 AromaticContact CG-CE1 3.47Å; F835-Y849 HydrophobicContact CG-CE1 3.47Å; F835-Y849 VanDerWaalsContact CG-CE1 3.47Å; F835-Y849 HydrophobicContact CG-CE2 4.2Å; F835-Y849 AromaticContact CG-CZ 3.62Å; F835-Y849 HydrophobicContact CZ-CD1 4.41Å; F835-Y849 PolarHBondContact O-OH 3.08Å; T838-Y849 PolarHBondContact OG1-OH 3.23Å; T838-Y849 VanDerWaalsContact OG1-OH 3.05Å; H839-Y849 WeakPolarHBondContact CB-OH 3.19Å; P847-Y849 HydrophobicContact CB-CE2 4.26Å; P847-Y849 HydrophobicContact CG-CE2 3.67Å; P847-Y849 WeakPolarHBondContact CG-OH 3.42Å
850	I	87.1	Confident	82.3	Confident	2 Å²	2	20.7 Å²	20.7	1%	0.01	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	119.5	176.2	-52.8	174.6	0	0	0	108	R393 E395 L465 V818 H819 I820 T821 L852	R393-I850 HydrophobicContact CG-CB 4.37Å; R393-I850 HydrophobicContact CG-CG1 4.03Å; R393-I850 HydrophobicContact CG-CG2 4.18Å; R393-I850 WeakPolarHBondContact O-CA 3.34Å; E395-I850 HydrophobicContact CB-CG2 4.17Å; L465-I850 HydrophobicContact CD1-CG2 4.25Å; V818-I850 HydrophobicContact CG1-CD1 3.5Å; V818-I850 VanDerWaalsContact CG1-CD1 3.5Å; V818-I850 HydrophobicContact CG1-CG1 4.14Å; H819-I850 PolarHBondContact O-N 3.27Å; I820-I850 WeakPolarHBondContact CA-O 3.19Å; I820-I850 HydrophobicContact CG1-CB 4.42Å; I820-I850 HydrophobicContact CG1-CD1 4.27Å; T821-I850 PolarHBondContact N-O 2.86Å; I850-L852 HydrophobicContact CG2-CD2 4.45Å
851	F	83.8	Confident	80.8	Confident	2 Å²	2	22.3 Å²	22.3	1%	0.009	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	117.6	174.1	-57	-48.2	0	0	0	109.5	F392 R393 V394 E395 L824 F835 A867 L870	F392-F851 HydrophobicContact CB-CE2 4.47Å; F392-F851 AromaticContact CD1-CE2 3.73Å; F392-F851 HydrophobicContact CD1-CE2 3.73Å; F392-F851 AromaticContact CD1-CZ 3.71Å; F392-F851 HydrophobicContact CD1-CZ 3.71Å; F392-F851 HydrophobicContact CE1-CZ 4.16Å; R393-F851 PolarHBondContact O-N 3.02Å; V394-F851 HydrophobicContact CG2-CB 4.4Å; V394-F851 HydrophobicContact CG2-CD2 4.13Å; E395-F851 PolarHBondContact N-O 3.3Å; L824-F851 HydrophobicContact CD1-CD1 3.63Å; L824-F851 HydrophobicContact CD1-CE1 3.98Å; L824-F851 HydrophobicContact CD1-CG 4.28Å; F835-F851 AromaticContact CE1-CE1 3.8Å; F835-F851 HydrophobicContact CE1-CE1 3.8Å; F835-F851 HydrophobicContact CE1-CZ 4.24Å; F835-F851 HydrophobicContact CE2-CE1 4.33Å; F835-F851 AromaticContact CE2-CZ 3.99Å; F835-F851 HydrophobicContact CE2-CZ 3.99Å; F835-F851 AromaticContact CZ-CE1 3.33Å; F835-F851 HydrophobicContact CZ-CE1 3.33Å; F835-F851 AromaticContact CZ-CZ 3.41Å; F835-F851 HydrophobicContact CZ-CZ 3.41Å; F835-F851 VanDerWaalsContact CZ-CZ 3.41Å; F851-A867 HydrophobicContact CD2-CB 4.1Å; F851-L870 HydrophobicContact CE1-CD1 4.15Å; F851-L870 HydrophobicContact CE2-CB 4.39Å; F851-L870 HydrophobicContact CE2-CD1 3.75Å; F851-L870 HydrophobicContact CZ-CD1 3.41Å; F851-L870 VanDerWaalsContact CZ-CD1 3.41Å
852	L	84.9	Confident	79.4	Confident	2 Å²	2	22.6 Å²	22.6	1%	0.01	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	120.9	174.4	-67.5	172.6	0	0	0	109.9	E395 V397 K458 C462 L465 I820 T821 L822 I850	E395-L852 HydrophobicContact CB-CD2 3.95Å; E395-L852 HydrophobicContact CG-CD2 4.21Å; V397-L852 HydrophobicContact CG2-CD2 3.99Å; K458-L852 HydrophobicContact CB-CB 4.49Å; K458-L852 HydrophobicContact CD-CB 4.05Å; K458-L852 WeakPolarHBondContact CD-O 3.41Å; C462-L852 HydrophobicContact CB-CD1 3.69Å; L465-L852 HydrophobicContact CD1-CD1 4.32Å; L465-L852 HydrophobicContact CD1-CD2 3.53Å; L465-L852 HydrophobicContact CD1-CG 4.37Å; I820-L852 HydrophobicContact CG2-CD1 3.43Å; I820-L852 VanDerWaalsContact CG2-CD1 3.43Å; I820-L852 HydrophobicContact CG2-CG 3.97Å; T821-L852 PolarHBondContact O-N 3.31Å; L822-L852 HydrophobicContact CD1-CB 4.4Å; L822-L852 HydrophobicContact CD1-CD1 3.74Å; I850-L852 HydrophobicContact CG2-CD2 4.45Å
853	I	83.8	Confident	78.1	Confident	10 Å²	10	21.2 Å²	21.2	5%	0.051	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	143	-178.2	71.5	167.1	0	0	0	108.2	V394 E395 E396 V397 Q860 A863	V394-I853 HydrophobicContact CG1-CD1 3.48Å; V394-I853 VanDerWaalsContact CG1-CD1 3.48Å; V394-I853 HydrophobicContact CG1-CG1 3.79Å; V394-I853 HydrophobicContact CG1-CG2 3.9Å; E395-I853 PolarHBondContact O-N 3.44Å; E395-I853 VanDerWaalsContact O-N 3.11Å; E396-I853 CarbonylContact C-O 3.53Å; E396-I853 WeakPolarHBondContact CA-O 3.36Å; E396-I853 HydrophobicContact CB-CD1 4.2Å; E396-I853 HydrophobicContact CB-CG1 3.94Å; E396-I853 HydrophobicContact CG-CD1 4.38Å; E396-I853 HydrophobicContact CG-CG1 4.18Å; V397-I853 PolarHBondContact N-O 2.79Å; I853-Q860 HydrophobicContact CD1-CG 4.04Å; I853-A863 HydrophobicContact CB-CB 4.07Å; I853-A863 HydrophobicContact CG2-CB 3.14Å
854	S	82.6	Confident	76.3	Confident	0 Å²	0	22.9 Å²	22.9	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	164.9	171.6	58.8	0	0	0	0	111.3	L856 E859	S854-L856 PolarHBondContact O-N 3.04Å; S854-L856 VanDerWaalsContact O-N 3.16Å; S854-E859 PolarHBondContact N-OE2 3.42Å; S854-E859 VanDerWaalsContact N-OE2 3.1Å; S854-E859 PolarHBondContact OG-OE2 3.46Å
855	E	78	Confident	74.7	Confident	66 Å²	66	20.5 Å²	20.5	31%	0.308	11%	0.105	S	C	.	.	S	Bend	trans	-70	1.4	173.6	-66.7	173.2	147.4	0	0	113.6	E396 T398 L399 A857 N975	E396-E855 HydrophobicContact CG-CG 4.35Å; T398-E855 WeakPolarHBondContact CA-OE2 3.31Å; L399-E855 HydrophobicContact CD1-CB 4.36Å; L399-E855 HydrophobicContact CG-CB 4.29Å; L399-E855 PolarHBondContact N-OE2 3.5Å; E855-A857 PolarHBondContact O-N 3.06Å; E855-N975 PolarHBondContact O-ND2 3.49Å; E855-N975 VanDerWaalsContact O-ND2 3.14Å; E855-N975 PolarHBondContact O-OD1 3.08Å
856	L	79.7	Confident	73.1	Confident	0 Å²	0	19.2 Å²	19.2	0%	0	10%	0.097	C	C	.	.	S	Bend	trans	-68.6	118.6	171.2	-60	172.3	0	0	0	108.2	L399 Y407 C454 S854 G858 E859 Q860 V971	L399-L856 HydrophobicContact CD1-CD2 3.72Å; L399-L856 HydrophobicContact CD1-CG 3.96Å; Y407-L856 HydrophobicContact CE2-CD1 3.93Å; Y407-L856 HydrophobicContact CE2-CD2 4.32Å; C454-L856 HydrophobicContact CB-CD1 4.38Å; C454-L856 VanDerWaalsContact SG-CD1 3.56Å; S854-L856 PolarHBondContact O-N 3.04Å; S854-L856 VanDerWaalsContact O-N 3.16Å; L856-G858 PolarHBondContact O-N 3.39Å; L856-E859 WeakPolarHBondContact O-CA 3.35Å; L856-E859 PolarHBondContact O-N 2.86Å; L856-Q860 PolarHBondContact O-N 2.95Å; L856-V971 HydrophobicContact CD2-CB 4.42Å; L856-V971 HydrophobicContact CD2-CG1 4.02Å; L856-V971 HydrophobicContact CD2-CG2 3.84Å
857	A	66.9	Low	71.6	Confident	6 Å²	6	18.1 Å²	18.1	5%	0.05	9%	0.089	C	C	.	.	H	α-helix	trans	-52	-35.2	-172.3	0	0	0	0	0	114.2	E855 E859 Q974 N975 F978	E855-A857 PolarHBondContact O-N 3.06Å; A857-E859 PolarHBondContact O-N 3.4Å; A857-Q974 HydrophobicContact CB-CG 4.46Å; A857-N975 WeakPolarHBondContact CA-OD1 3.42Å; A857-N975 HydrophobicContact CB-CB 4.28Å; A857-N975 WeakPolarHBondContact CB-OD1 3.27Å; A857-N975 PolarHBondContact N-OD1 2.94Å; A857-F978 HydrophobicContact CB-CB 3.67Å; A857-F978 HydrophobicContact CB-CD1 3.66Å; A857-F978 HydrophobicContact CB-CG 3.98Å; A857-F978 WeakPolarHBondContact O-CD1 3.1Å; A857-F978 WeakPolarHBondContact O-CE1 3.39Å
858	G	61.7	Low	70	Confident	0 Å²	0	22.6 Å²	22.6	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-58.9	-34.3	176	0	0	0	0	0	113	L856 F862	L856-G858 PolarHBondContact O-N 3.39Å; G858-F862 VanDerWaalsContact O-CB 3.31Å; G858-F862 WeakPolarHBondContact O-CB 3.49Å
859	E	66.5	Low	68.3	Low	28 Å²	28	25.2 Å²	25.2	13%	0.131	12%	0.118	C	C	.	.	H	α-helix	trans	-86.6	-47.5	175.2	-68.9	-156.8	151.9	0	0	112.5	K458 S854 L856 A857 R861 F862 A863	K458-E859 WeakPolarHBondContact CE-OE2 3.43Å; K458-E859 IonicContact NZ-OE1 3.77Å; K458-E859 PolarHBondContact NZ-OE1 2.85Å; K458-E859 IonicContact NZ-OE2 2.73Å; K458-E859 PolarHBondContact NZ-OE2 3.41Å; S854-E859 PolarHBondContact N-OE2 3.42Å; S854-E859 VanDerWaalsContact N-OE2 3.1Å; S854-E859 PolarHBondContact OG-OE2 3.46Å; L856-E859 WeakPolarHBondContact O-CA 3.35Å; L856-E859 PolarHBondContact O-N 2.86Å; A857-E859 PolarHBondContact O-N 3.4Å; E859-R861 PolarHBondContact O-N 3.19Å; E859-F862 PolarHBondContact O-N 2.68Å; E859-A863 VanDerWaalsContact O-CB 3.23Å; E859-A863 WeakPolarHBondContact O-CB 3.3Å; E859-A863 PolarHBondContact O-N 3.29Å
860	Q	59.8	Low	66.9	Low	74 Å²	74	25.2 Å²	25.2	35%	0.346	12%	0.118	S	C	.	.	H	α-helix	trans	-57.6	-52.8	-166.9	-161.6	-159.1	27.8	0	0	112.4	E396 I853 L856 S864	E396-Q860 PolarHBondContact OE1-NE2 3.25Å; I853-Q860 HydrophobicContact CD1-CG 4.04Å; L856-Q860 PolarHBondContact O-N 2.95Å; Q860-S864 WeakPolarHBondContact O-CB 3.3Å; Q860-S864 PolarHBondContact O-N 3.08Å
861	R	56.5	Low	65.1	Low	73 Å²	73	28.8 Å²	28.8	28%	0.275	13%	0.134	S	C	.	.	H	α-helix	trans	-76.6	-34.3	179.9	-50.8	-171.9	176.3	-142.2	8.2	112.7	E859 A863 S864 I865 F978	E859-R861 PolarHBondContact O-N 3.19Å; R861-A863 VanDerWaalsContact C-N 3.29Å; R861-A863 PolarHBondContact O-N 3.1Å; R861-S864 WeakPolarHBondContact CA-OG 3.46Å; R861-S864 WeakPolarHBondContact O-CB 3.31Å; R861-S864 PolarHBondContact O-N 3.18Å; R861-S864 VanDerWaalsContact O-N 3.16Å; R861-S864 PolarHBondContact O-OG 3.32Å; R861-I865 WeakPolarHBondContact O-CG1 3.41Å; R861-I865 PolarHBondContact O-N 2.84Å; R861-F978 HydrophobicContact CB-CE1 3.51Å; R861-F978 HydrophobicContact CB-CZ 4.09Å; R861-F978 HydrophobicContact CG-CD1 4.05Å; R861-F978 HydrophobicContact CG-CE1 3.44Å; R861-F978 VanDerWaalsContact CG-CE1 3.44Å; R861-F978 HydrophobicContact CG-CZ 4.42Å
862	F	57.6	Low	63.5	Low	22 Å²	22	28.8 Å²	28.8	10%	0.096	14%	0.135	C	C	.	.	H	α-helix	trans	-59.7	-45.4	176.3	175.7	-99.3	0	0	0	110.9	L824 P825 W826 G858 E859 S864 I865 V866	L824-F862 HydrophobicContact CD2-CE1 4.23Å; L824-F862 HydrophobicContact CG-CE1 4.48Å; P825-F862 WeakPolarHBondContact O-CE1 2.98Å; P825-F862 WeakPolarHBondContact O-CZ 3.4Å; W826-F862 HydrophobicContact CB-CE2 4.42Å; W826-F862 HydrophobicContact CB-CZ 4.11Å; W826-F862 HydrophobicContact CD2-CD1 4.26Å; W826-F862 HydrophobicContact CD2-CD2 4.48Å; W826-F862 HydrophobicContact CD2-CE1 4.22Å; W826-F862 HydrophobicContact CD2-CE2 4.43Å; W826-F862 HydrophobicContact CD2-CG 4.44Å; W826-F862 HydrophobicContact CD2-CZ 4.36Å; W826-F862 HydrophobicContact CE3-CB 4.27Å; W826-F862 AromaticContact CE3-CD1 3.6Å; W826-F862 HydrophobicContact CE3-CD1 3.6Å; W826-F862 AromaticContact CE3-CD2 3.31Å; W826-F862 HydrophobicContact CE3-CD2 3.31Å; W826-F862 AromaticContact CE3-CE1 3.84Å; W826-F862 HydrophobicContact CE3-CE1 3.84Å; W826-F862 AromaticContact CE3-CE2 3.56Å; W826-F862 HydrophobicContact CE3-CE2 3.56Å; W826-F862 AromaticContact CE3-CG 3.38Å; W826-F862 HydrophobicContact CE3-CG 3.38Å; W826-F862 AromaticContact CE3-CZ 3.87Å; W826-F862 HydrophobicContact CE3-CZ 3.87Å; W826-F862 HydrophobicContact CH2-CB 4.38Å; W826-F862 HydrophobicContact CH2-CD1 4.42Å; W826-F862 HydrophobicContact CH2-CG 4.23Å; W826-F862 HydrophobicContact CZ3-CB 3.63Å; W826-F862 AromaticContact CZ3-CD1 3.69Å; W826-F862 HydrophobicContact CZ3-CD1 3.69Å; W826-F862 AromaticContact CZ3-CD2 3.52Å; W826-F862 HydrophobicContact CZ3-CD2 3.52Å; W826-F862 HydrophobicContact CZ3-CE1 4.4Å; W826-F862 HydrophobicContact CZ3-CE2 4.24Å; W826-F862 AromaticContact CZ3-CG 3.24Å; W826-F862 HydrophobicContact CZ3-CG 3.24Å; W826-F862 VanDerWaalsContact O-CE2 3.3Å; W826-F862 WeakPolarHBondContact O-CE2 3.1Å; W826-F862 WeakPolarHBondContact O-CZ 3.21Å; G858-F862 VanDerWaalsContact O-CB 3.31Å; G858-F862 WeakPolarHBondContact O-CB 3.49Å; E859-F862 PolarHBondContact O-N 2.68Å; F862-S864 VanDerWaalsContact C-N 3.35Å; F862-I865 WeakPolarHBondContact O-CB 3.44Å; F862-I865 PolarHBondContact O-N 2.93Å; F862-V866 HydrophobicContact CE1-CG2 3.65Å; F862-V866 HydrophobicContact CE2-CG2 3.86Å; F862-V866 HydrophobicContact CZ-CB 4.48Å; F862-V866 HydrophobicContact CZ-CG2 3.19Å; F862-V866 PolarHBondContact O-N 3.06Å; F862-V866 VanDerWaalsContact O-N 3.08Å
863	A	60.6	Low	61.9	Low	3 Å²	3	29.5 Å²	29.5	3%	0.025	14%	0.138	C	C	.	.	H	α-helix	trans	-67.8	-35.6	175.4	0	0	0	0	0	112	L824 I853 E859 R861 I865 V866 A867	L824-A863 HydrophobicContact CD2-CB 3.66Å; I853-A863 HydrophobicContact CB-CB 4.07Å; I853-A863 HydrophobicContact CG2-CB 3.14Å; E859-A863 VanDerWaalsContact O-CB 3.23Å; E859-A863 WeakPolarHBondContact O-CB 3.3Å; E859-A863 PolarHBondContact O-N 3.29Å; R861-A863 VanDerWaalsContact C-N 3.29Å; R861-A863 PolarHBondContact O-N 3.1Å; A863-I865 PolarHBondContact O-N 2.8Å; A863-V866 PolarHBondContact O-N 3.34Å; A863-A867 WeakPolarHBondContact O-CA 3.44Å; A863-A867 WeakPolarHBondContact O-CB 3.42Å; A863-A867 PolarHBondContact O-N 2.81Å
864	S	54.2	Low	60	Low	43 Å²	43	29 Å²	29	30%	0.301	14%	0.136	S	C	.	.	H	α-helix	trans	-59.3	-36.2	172.6	84.9	0	0	0	0	112.6	Q860 R861 F862 K868	Q860-S864 WeakPolarHBondContact O-CB 3.3Å; Q860-S864 PolarHBondContact O-N 3.08Å; R861-S864 WeakPolarHBondContact CA-OG 3.46Å; R861-S864 WeakPolarHBondContact O-CB 3.31Å; R861-S864 PolarHBondContact O-N 3.18Å; R861-S864 VanDerWaalsContact O-N 3.16Å; R861-S864 PolarHBondContact O-OG 3.32Å; F862-S864 VanDerWaalsContact C-N 3.35Å; S864-K868 WeakPolarHBondContact O-CB 3.33Å; S864-K868 WeakPolarHBondContact O-CG 3.3Å; S864-K868 PolarHBondContact O-N 3.02Å
865	I	56.6	Low	57.8	Low	25 Å²	25	29.9 Å²	29.9	13%	0.128	14%	0.143	C	C	.	.	H	α-helix	trans	-67.7	-52.1	177.7	-74	159.8	0	0	0	110.2	R861 F862 A863 R869 F892 L894	R861-I865 WeakPolarHBondContact O-CG1 3.41Å; R861-I865 PolarHBondContact O-N 2.84Å; F862-I865 WeakPolarHBondContact O-CB 3.44Å; F862-I865 PolarHBondContact O-N 2.93Å; A863-I865 PolarHBondContact O-N 2.8Å; I865-R869 WeakPolarHBondContact O-CB 3.39Å; I865-R869 PolarHBondContact O-N 2.76Å; I865-F892 HydrophobicContact CB-CB 4.23Å; I865-F892 VanDerWaalsContact CD1-O 3.27Å; I865-F892 WeakPolarHBondContact CD1-O 3.38Å; I865-F892 HydrophobicContact CG1-CB 4.05Å; I865-F892 WeakPolarHBondContact CG1-O 3.27Å; I865-F892 HydrophobicContact CG2-CB 3.75Å; I865-F892 WeakPolarHBondContact CG2-O 3.34Å; I865-L894 HydrophobicContact CD1-CD1 3.92Å; I865-L894 HydrophobicContact CD1-CD2 4.17Å; I865-L894 HydrophobicContact CD1-CG 3.72Å
866	V	57.7	Low	55.6	Low	4 Å²	4	28.9 Å²	28.9	2%	0.024	14%	0.139	C	C	.	.	H	α-helix	trans	-66.5	-44.1	-179.5	172.1	0	0	0	0	110.6	L824 A831 F862 A863 R869 L870	L824-V866 HydrophobicContact CD1-CG1 4.1Å; L824-V866 HydrophobicContact CD2-CB 3.79Å; L824-V866 HydrophobicContact CD2-CG1 3.82Å; L824-V866 HydrophobicContact CD2-CG2 4.37Å; L824-V866 HydrophobicContact CG-CG1 4.11Å; A831-V866 HydrophobicContact CB-CG1 4.44Å; F862-V866 HydrophobicContact CE1-CG2 3.65Å; F862-V866 HydrophobicContact CE2-CG2 3.86Å; F862-V866 HydrophobicContact CZ-CB 4.48Å; F862-V866 HydrophobicContact CZ-CG2 3.19Å; F862-V866 PolarHBondContact O-N 3.06Å; F862-V866 VanDerWaalsContact O-N 3.08Å; A863-V866 PolarHBondContact O-N 3.34Å; V866-R869 WeakPolarHBondContact O-CB 3.47Å; V866-R869 PolarHBondContact O-N 3.29Å; V866-L870 HydrophobicContact CG1-CD1 3.59Å; V866-L870 HydrophobicContact CG1-CG 4.21Å; V866-L870 WeakPolarHBondContact O-CB 3.43Å; V866-L870 WeakPolarHBondContact O-CG 3.45Å; V866-L870 PolarHBondContact O-N 3.31Å
867	A	56.6	Low	53.4	Low	2 Å²	2	29.3 Å²	29.3	2%	0.017	14%	0.142	C	C	.	.	H	α-helix	trans	-61	-47.1	176.5	0	0	0	0	0	111.5	V394 F851 A863 R869 L870 E871	V394-A867 HydrophobicContact CG2-CB 3.24Å; F851-A867 HydrophobicContact CD2-CB 4.1Å; A863-A867 WeakPolarHBondContact O-CA 3.44Å; A863-A867 WeakPolarHBondContact O-CB 3.42Å; A863-A867 PolarHBondContact O-N 2.81Å; A867-R869 VanDerWaalsContact C-N 3.27Å; A867-R869 PolarHBondContact O-N 2.58Å; A867-L870 CarbonylContact O-C 3.2Å; A867-L870 PolarHBondContact O-N 3.37Å; A867-L870 VanDerWaalsContact O-N 3.12Å; A867-E871 VanDerWaalsContact O-CB 3.31Å; A867-E871 WeakPolarHBondContact O-CB 3.1Å; A867-E871 WeakPolarHBondContact O-CG 3.32Å; A867-E871 PolarHBondContact O-N 2.97Å
868	K	57.4	Low	51.7	Low	93 Å²	93	32.9 Å²	32.9	40%	0.404	16%	0.158	S	C	.	.	H	α-helix	trans	-59.2	-39	174.5	-79.7	175.2	-179.3	176.5	0	112.2	S864 S872 F892	S864-K868 WeakPolarHBondContact O-CB 3.33Å; S864-K868 WeakPolarHBondContact O-CG 3.3Å; S864-K868 PolarHBondContact O-N 3.02Å; K868-S872 WeakPolarHBondContact O-CB 3.47Å; K868-S872 PolarHBondContact O-N 2.7Å; K868-F892 HydrophobicContact CD-CD1 4.46Å; K868-F892 HydrophobicContact CD-CE1 3.91Å; K868-F892 HydrophobicContact CD-CZ 4.11Å
869	R	55.1	Low	50.3	Low	75 Å²	75	36 Å²	36	28%	0.283	19%	0.19	S	C	.	.	H	α-helix	trans	-66	-37.8	176	-179.1	158	-179.3	-170.9	-3.3	112.5	A828 D829 I865 V866 A867 L873 L889	A828-R869 HydrophobicContact CB-CG 4.12Å; D829-R869 IonicContact OD1-NH2 3.28Å; I865-R869 WeakPolarHBondContact O-CB 3.39Å; I865-R869 PolarHBondContact O-N 2.76Å; V866-R869 WeakPolarHBondContact O-CB 3.47Å; V866-R869 PolarHBondContact O-N 3.29Å; A867-R869 VanDerWaalsContact C-N 3.27Å; A867-R869 PolarHBondContact O-N 2.58Å; R869-L873 WeakPolarHBondContact O-CG 3.36Å; R869-L873 PolarHBondContact O-N 2.77Å; R869-L889 HydrophobicContact CB-CD2 4.01Å; R869-L889 HydrophobicContact CG-CB 4.47Å; R869-L889 HydrophobicContact CG-CD1 3.99Å; R869-L889 HydrophobicContact CG-CD2 3.81Å; R869-L889 HydrophobicContact CG-CG 4.3Å
870	L	57.2	Low	48.4	Very low	0 Å²	0	39 Å²	39	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-78.2	-37.3	177.9	-67.9	170.2	0	0	0	113	F392 A831 V832 F835 F851 V866 A867 S872 L873 G874	F392-L870 HydrophobicContact CD1-CB 4.26Å; F392-L870 HydrophobicContact CE1-CB 4.17Å; A831-L870 HydrophobicContact CB-CD1 4.28Å; V832-L870 HydrophobicContact CG2-CD2 3.77Å; F835-L870 HydrophobicContact CD2-CD2 4.31Å; F835-L870 HydrophobicContact CE2-CD1 3.52Å; F835-L870 HydrophobicContact CE2-CD2 3.58Å; F835-L870 HydrophobicContact CE2-CG 4.1Å; F835-L870 HydrophobicContact CZ-CD1 3.66Å; F851-L870 HydrophobicContact CE1-CD1 4.15Å; F851-L870 HydrophobicContact CE2-CB 4.39Å; F851-L870 HydrophobicContact CE2-CD1 3.75Å; F851-L870 HydrophobicContact CZ-CD1 3.41Å; F851-L870 VanDerWaalsContact CZ-CD1 3.41Å; V866-L870 HydrophobicContact CG1-CD1 3.59Å; V866-L870 HydrophobicContact CG1-CG 4.21Å; V866-L870 WeakPolarHBondContact O-CB 3.43Å; V866-L870 WeakPolarHBondContact O-CG 3.45Å; V866-L870 PolarHBondContact O-N 3.31Å; A867-L870 CarbonylContact O-C 3.2Å; A867-L870 PolarHBondContact O-N 3.37Å; A867-L870 VanDerWaalsContact O-N 3.12Å; L870-S872 VanDerWaalsContact C-N 3.3Å; L870-L873 HydrophobicContact CD2-CD1 3.95Å; L870-L873 CarbonylContact O-C 3.47Å; L870-L873 WeakPolarHBondContact O-CB 3.43Å; L870-L873 PolarHBondContact O-N 2.93Å; L870-G874 PolarHBondContact O-N 3.15Å
871	E	50.3	Low	47	Very low	76 Å²	76	46 Å²	46	36%	0.355	23%	0.23	S	C	.	.	H	α-helix	trans	-61.6	-40.9	171	-80.1	177.5	-175.2	0	0	110.5	F392 A867 G874 A875	F392-E871 HydrophobicContact CB-CG 4.22Å; A867-E871 VanDerWaalsContact O-CB 3.31Å; A867-E871 WeakPolarHBondContact O-CB 3.1Å; A867-E871 WeakPolarHBondContact O-CG 3.32Å; A867-E871 PolarHBondContact O-N 2.97Å; E871-G874 PolarHBondContact O-N 3.37Å; E871-A875 VanDerWaalsContact O-CB 3.22Å; E871-A875 WeakPolarHBondContact O-CB 3.38Å; E871-A875 PolarHBondContact O-N 2.97Å
872	S	49.8	Very low	45.9	Very low	3 Å²	3	53.6 Å²	53.6	2%	0.021	26%	0.259	C	S	.	.	H	α-helix	trans	-57.3	-55.3	170.9	-173.2	0	0	0	0	109.9	K868 L870 G874 A875 L876 T886	K868-S872 WeakPolarHBondContact O-CB 3.47Å; K868-S872 PolarHBondContact O-N 2.7Å; L870-S872 VanDerWaalsContact C-N 3.3Å; S872-G874 PolarHBondContact O-N 3.44Å; S872-A875 PolarHBondContact O-N 3.25Å; S872-L876 WeakPolarHBondContact O-CB 3.36Å; S872-L876 WeakPolarHBondContact O-CD1 3.49Å; S872-L876 WeakPolarHBondContact O-CG 3.27Å; S872-L876 PolarHBondContact O-N 3.08Å; S872-L876 WeakPolarHBondContact OG-CD1 3.32Å; S872-T886 WeakPolarHBondContact CB-OG1 3.43Å; S872-T886 PolarHBondContact OG-OG1 3.14Å; S872-T886 VanDerWaalsContact OG-OG1 3.12Å
873	L	51.9	Low	44.4	Very low	16 Å²	16	54.5 Å²	54.5	8%	0.084	27%	0.271	C	S	.	.	H	α-helix	trans	-52.8	-39.3	176.2	-75.2	161.5	0	0	0	113.1	Y89 F387 V832 R869 L870 T877	Y89-L873 HydrophobicContact CE2-CD2 3.8Å; Y89-L873 WeakPolarHBondContact OH-CD2 3.27Å; F387-L873 HydrophobicContact CD2-CB 4.39Å; F387-L873 HydrophobicContact CE2-CB 4.27Å; V832-L873 HydrophobicContact CG2-CD1 4.21Å; R869-L873 WeakPolarHBondContact O-CG 3.36Å; R869-L873 PolarHBondContact O-N 2.77Å; L870-L873 HydrophobicContact CD2-CD1 3.95Å; L870-L873 CarbonylContact O-C 3.47Å; L870-L873 WeakPolarHBondContact O-CB 3.43Å; L870-L873 PolarHBondContact O-N 2.93Å; L873-T877 VanDerWaalsContact O-CG2 3.32Å; L873-T877 WeakPolarHBondContact O-CG2 3.43Å
874	G	43.9	Very low	42.9	Very low	1 Å²	1	56.6 Å²	56.6	1%	0.01	28%	0.283	C	S	.	.	H	α-helix	trans	-72.3	-55.5	177.6	0	0	0	0	0	113.9	L870 E871 S872 L876 T877 H878	L870-G874 PolarHBondContact O-N 3.15Å; E871-G874 PolarHBondContact O-N 3.37Å; S872-G874 PolarHBondContact O-N 3.44Å; G874-L876 VanDerWaalsContact C-N 3.26Å; G874-L876 PolarHBondContact O-N 3.38Å; G874-T877 PolarHBondContact O-N 2.86Å; G874-T877 PolarHBondContact O-OG1 3.09Å; G874-H878 PolarHBondContact O-CD2 3.19Å; G874-H878 PolarHBondContact O-N 3.43Å
875	A	36.4	Very low	42	Very low	18 Å²	18	62.2 Å²	62.2	15%	0.149	31%	0.305	C	S	.	.	H	α-helix	trans	-58.1	-39.7	-179.8	0	0	0	0	0	111.7	E871 S872 T877 H878 A883 T884	E871-A875 VanDerWaalsContact O-CB 3.22Å; E871-A875 WeakPolarHBondContact O-CB 3.38Å; E871-A875 PolarHBondContact O-N 2.97Å; S872-A875 PolarHBondContact O-N 3.25Å; A875-T877 PolarHBondContact O-N 3.45Å; A875-T877 VanDerWaalsContact O-N 3.09Å; A875-H878 PolarHBondContact O-N 2.91Å; A875-H878 VanDerWaalsContact O-N 3.09Å; A875-A883 HydrophobicContact CB-CB 4.16Å; A875-T884 HydrophobicContact CB-CG2 3.71Å
876	L	32.1	Very low	41	Very low	44 Å²	44	63.2 Å²	63.2	23%	0.23	31%	0.312	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.5	-26.3	176.3	-77.9	161.1	0	0	0	113.4	T88 Y89 S872 G874	T88-L876 HydrophobicContact CG2-CD1 4.27Å; Y89-L876 HydrophobicContact CD2-CB 4.02Å; Y89-L876 HydrophobicContact CD2-CD1 3.81Å; Y89-L876 HydrophobicContact CD2-CG 4.36Å; Y89-L876 HydrophobicContact CE2-CD1 3.96Å; S872-L876 WeakPolarHBondContact O-CB 3.36Å; S872-L876 WeakPolarHBondContact O-CD1 3.49Å; S872-L876 WeakPolarHBondContact O-CG 3.27Å; S872-L876 PolarHBondContact O-N 3.08Å; S872-L876 WeakPolarHBondContact OG-CD1 3.32Å; G874-L876 VanDerWaalsContact C-N 3.26Å; G874-L876 PolarHBondContact O-N 3.38Å
877	T	32.7	Very low	40.3	Very low	10 Å²	10	69.2 Å²	69.2	6%	0.061	33%	0.334	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.1	-13.2	-178.4	64.7	0	0	0	0	113.8	V108 S386 F387 T388 L873 G874 A875 G879	V108-T877 HydrophobicContact CG2-CG2 4.46Å; S386-T877 VanDerWaalsContact OG-CB 3.28Å; S386-T877 WeakPolarHBondContact OG-CB 3.47Å; F387-T877 WeakPolarHBondContact CA-OG1 3.29Å; F387-T877 HydrophobicContact CB-CG2 3.91Å; F387-T877 WeakPolarHBondContact CB-OG1 3.44Å; F387-T877 HydrophobicContact CD2-CG2 4.18Å; F387-T877 VanDerWaalsContact N-CB 3.35Å; F387-T877 VanDerWaalsContact N-CG2 3.26Å; F387-T877 PolarHBondContact N-OG1 3.37Å; F387-T877 PolarHBondContact O-OG1 3.4Å; T388-T877 WeakPolarHBondContact CB-O 3.2Å; T388-T877 PolarHBondContact N-OG1 2.85Å; T388-T877 PolarHBondContact OG1-O 3.41Å; L873-T877 VanDerWaalsContact O-CG2 3.32Å; L873-T877 WeakPolarHBondContact O-CG2 3.43Å; G874-T877 PolarHBondContact O-N 2.86Å; G874-T877 PolarHBondContact O-OG1 3.09Å; A875-T877 PolarHBondContact O-N 3.45Å; A875-T877 VanDerWaalsContact O-N 3.09Å; T877-G879 VanDerWaalsContact C-N 3.27Å; T877-G879 PolarHBondContact O-N 3.01Å
878	H	32.3	Very low	39.6	Very low	80 Å²	80	71 Å²	71	37%	0.37	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80	-4.2	179.3	-82.3	-76.2	0	0	0	114.1	G389 V390 G874 A875 D880	G389-H878 WeakPolarHBondContact CA-CE1 3.46Å; G389-H878 PolarHBondContact N-CE1 3.19Å; G389-H878 PolarHBondContact N-ND1 3.49Å; V390-H878 PolarHBondContact O-NE2 3.01Å; G874-H878 PolarHBondContact O-CD2 3.19Å; G874-H878 PolarHBondContact O-N 3.43Å; A875-H878 PolarHBondContact O-N 2.91Å; A875-H878 VanDerWaalsContact O-N 3.09Å; H878-D880 PolarHBondContact O-N 2.88Å
879	G	30.9	Very low	38.7	Very low	66 Å²	66	68.6 Å²	68.6	68%	0.68	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.7	3.9	-177.5	0	0	0	0	0	114.2	T877 R881	T877-G879 VanDerWaalsContact C-N 3.27Å; T877-G879 PolarHBondContact O-N 3.01Å; G879-R881 PolarHBondContact O-N 3.01Å
880	D	28.1	Very low	38.1	Very low	91 Å²	91	67 Å²	67	49%	0.487	34%	0.335	S	S	.	.			trans	-80.5	100.9	174.9	-168.9	-6	0	0	0	109.8	H878 R882 A883	H878-D880 PolarHBondContact O-N 2.88Å; D880-R882 PolarHBondContact O-N 2.86Å; D880-R882 VanDerWaalsContact O-N 3.1Å; D880-R882 PolarHBondContact OD1-N 3.36Å; D880-R882 VanDerWaalsContact OD1-N 3.11Å; D880-A883 PolarHBondContact O-N 3.38Å
881	R	29.7	Very low	37.3	Very low	222 Å²	222	69.1 Å²	69.1	84%	0.838	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.7	-13	-179.2	-62.7	-179.9	-179.2	172.5	0.3	113.9	G879	G879-R881 PolarHBondContact O-N 3.01Å
882	R	32.4	Very low	37.3	Very low	231 Å²	231	67.9 Å²	67.9	87%	0.872	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.3	-16.3	-176.5	-57.5	-175.6	-162.3	-179.6	5.4	113.3	D880 T884	D880-R882 PolarHBondContact O-N 2.86Å; D880-R882 VanDerWaalsContact O-N 3.1Å; D880-R882 PolarHBondContact OD1-N 3.36Å; D880-R882 VanDerWaalsContact OD1-N 3.11Å; R882-T884 PolarHBondContact O-N 2.95Å
883	A	26.6	Very low	37.6	Very low	42 Å²	42	71.3 Å²	71.3	35%	0.347	36%	0.357	S	S	.	.	S	Bend	trans	-85	116.9	178.5	0	0	0	0	0	109.9	A875 D880	A875-A883 HydrophobicContact CB-CB 4.16Å; D880-A883 PolarHBondContact O-N 3.38Å
884	T	29.6	Very low	38.2	Very low	47 Å²	47	71.7 Å²	71.7	29%	0.288	36%	0.359	S	S	.	.			trans	92.9	104.3	159.8	73.7	0	0	0	0	117.8	A875 R882 T886	A875-T884 HydrophobicContact CB-CG2 3.71Å; R882-T884 PolarHBondContact O-N 2.95Å; T884-T886 WeakPolarHBondContact CB-OG1 3.27Å; T884-T886 PolarHBondContact O-N 3.01Å; T884-T886 PolarHBondContact OG1-OG1 3.31Å
885	E	35.6	Very low	39.1	Very low	161 Å²	161	75.6 Å²	75.6	75%	0.752	38%	0.38	S	S	*	.			trans	-66	25.7	163.1	-60.2	177	148.3	0	0	113	R887	E885-R887 PolarHBondContact O-N 3.35Å; E885-R887 VanDerWaalsContact O-N 3.11Å
886	T	36	Very low	40.5	Very low	45 Å²	45	76.4 Å²	76.4	28%	0.276	38%	0.383	S	S	.	.			trans	-89	94.1	-163.7	53.2	0	0	0	0	114.2	S872 T884	S872-T886 WeakPolarHBondContact CB-OG1 3.43Å; S872-T886 PolarHBondContact OG-OG1 3.14Å; S872-T886 VanDerWaalsContact OG-OG1 3.12Å; T884-T886 WeakPolarHBondContact CB-OG1 3.27Å; T884-T886 PolarHBondContact O-N 3.01Å; T884-T886 PolarHBondContact OG1-OG1 3.31Å
887	R	41.1	Very low	42.4	Very low	130 Å²	130	78.5 Å²	78.5	49%	0.491	39%	0.39	S	S	.	.			trans	-12.4	158.6	143.6	-68.7	170.6	148.4	-170.1	9.4	118.6	E885 L889 Q891	E885-R887 PolarHBondContact O-N 3.35Å; E885-R887 VanDerWaalsContact O-N 3.11Å; R887-L889 PolarHBondContact O-N 3.23Å; R887-L889 VanDerWaalsContact O-N 3.13Å; R887-Q891 VanDerWaalsContact CD-OE1 3.28Å
888	D	42	Very low	44.6	Very low	41 Å²	41	79.1 Å²	79.1	22%	0.219	39%	0.391	C	S	.	.			trans	-40.5	112.8	162.7	-162.5	-33.5	0	0	0	111	S890 Q891 G1001 I1002	D888-S890 PolarHBondContact O-N 3.25Å; D888-S890 WeakPolarHBondContact OD1-CB 3.48Å; D888-S890 PolarHBondContact OD1-N 3.42Å; D888-S890 PolarHBondContact OD1-OG 3.24Å; D888-Q891 PolarHBondContact O-N 3.49Å; D888-G1001 WeakPolarHBondContact OD2-CA 3.28Å; D888-I1002 PolarHBondContact OD2-N 2.93Å; D888-I1002 VanDerWaalsContact OD2-N 3.08Å
889	L	39.8	Very low	47	Very low	41 Å²	41	75.3 Å²	75.3	22%	0.215	37%	0.374	C	S	.	.	G	3₁₀ helix	trans	-58.7	-14.1	-173.5	-66	169.8	0	0	0	113.2	R869 R887 Q891	R869-L889 HydrophobicContact CB-CD2 4.01Å; R869-L889 HydrophobicContact CG-CB 4.47Å; R869-L889 HydrophobicContact CG-CD1 3.99Å; R869-L889 HydrophobicContact CG-CD2 3.81Å; R869-L889 HydrophobicContact CG-CG 4.3Å; R887-L889 PolarHBondContact O-N 3.23Å; R887-L889 VanDerWaalsContact O-N 3.13Å; L889-Q891 VanDerWaalsContact C-N 3.29Å; L889-Q891 PolarHBondContact O-N 2.88Å
890	S	42.3	Very low	49.5	Very low	42 Å²	42	79 Å²	79	29%	0.294	37%	0.367	S	S	.	.	G	3₁₀ helix	trans	-61.8	-30.1	176	56.9	0	0	0	0	113.8	D888 F892 N893	D888-S890 PolarHBondContact O-N 3.25Å; D888-S890 WeakPolarHBondContact OD1-CB 3.48Å; D888-S890 PolarHBondContact OD1-N 3.42Å; D888-S890 PolarHBondContact OD1-OG 3.24Å; S890-F892 PolarHBondContact O-N 3.42Å; S890-N893 WeakPolarHBondContact O-CB 3.37Å; S890-N893 PolarHBondContact O-N 3.29Å; S890-N893 VanDerWaalsContact O-N 3.12Å
891	Q	40.1	Very low	52.3	Low	45 Å²	45	76.4 Å²	76.4	21%	0.21	36%	0.358	C	S	.	.	G	3₁₀ helix	trans	-65	-25.9	-177.1	-59.7	-169.5	2.3	0	0	113.7	R887 D888 L889 Y998	R887-Q891 VanDerWaalsContact CD-OE1 3.28Å; D888-Q891 PolarHBondContact O-N 3.49Å; L889-Q891 VanDerWaalsContact C-N 3.29Å; L889-Q891 PolarHBondContact O-N 2.88Å; Q891-Y998 WeakPolarHBondContact CG-OH 3.37Å
892	F	49.6	Very low	55.1	Low	50 Å²	50	65.9 Å²	65.9	22%	0.219	32%	0.318	C	S	.	.	G	3₁₀ helix	trans	-88.7	-8.1	-179.6	-60.2	-70.8	0	0	0	112.6	I865 K868 S890 L894	I865-F892 HydrophobicContact CB-CB 4.23Å; I865-F892 VanDerWaalsContact CD1-O 3.27Å; I865-F892 WeakPolarHBondContact CD1-O 3.38Å; I865-F892 HydrophobicContact CG1-CB 4.05Å; I865-F892 WeakPolarHBondContact CG1-O 3.27Å; I865-F892 HydrophobicContact CG2-CB 3.75Å; I865-F892 WeakPolarHBondContact CG2-O 3.34Å; K868-F892 HydrophobicContact CD-CD1 4.46Å; K868-F892 HydrophobicContact CD-CE1 3.91Å; K868-F892 HydrophobicContact CD-CZ 4.11Å; S890-F892 PolarHBondContact O-N 3.42Å; F892-L894 PolarHBondContact O-N 3.49Å
893	N	56.3	Low	57.9	Low	74 Å²	74	55.1 Å²	55.1	40%	0.396	28%	0.278	S	S	.	.			trans	-74.4	111.2	176.1	-169	2.6	0	0	0	110	S890 D895 T896	S890-N893 WeakPolarHBondContact O-CB 3.37Å; S890-N893 PolarHBondContact O-N 3.29Å; S890-N893 VanDerWaalsContact O-N 3.12Å; N893-D895 PolarHBondContact O-N 3.19Å; N893-D895 PolarHBondContact OD1-N 3.15Å; N893-T896 HydrophobicContact CB-CG2 4.02Å; N893-T896 WeakPolarHBondContact O-CG2 3.45Å; N893-T896 PolarHBondContact O-OG1 3.4Å
894	L	64	Low	60.9	Low	24 Å²	24	57.7 Å²	57.7	13%	0.126	28%	0.283	C	S	.	.	S	Bend	trans	-67.5	-25	174.6	-63.1	177.3	0	0	0	111.5	I865 F892 T896 G899 M959 F978 F981 L985	I865-L894 HydrophobicContact CD1-CD1 3.92Å; I865-L894 HydrophobicContact CD1-CD2 4.17Å; I865-L894 HydrophobicContact CD1-CG 3.72Å; F892-L894 PolarHBondContact O-N 3.49Å; L894-T896 PolarHBondContact O-N 3.27Å; L894-G899 VanDerWaalsContact O-CA 3.3Å; L894-G899 WeakPolarHBondContact O-CA 3.5Å; L894-M959 HydrophobicContact CB-CE 4.32Å; L894-M959 HydrophobicContact CB-CG 4.14Å; L894-M959 HydrophobicContact CB-SD 4.12Å; L894-F978 HydrophobicContact CD1-CZ 4.3Å; L894-F981 HydrophobicContact CD1-CE1 4.35Å; L894-F981 HydrophobicContact CD2-CE1 4.1Å; L894-F981 HydrophobicContact CD2-CZ 4.43Å; L894-L985 HydrophobicContact CD2-CD2 3.37Å
895	D	63.6	Low	63.9	Low	84 Å²	84	56.9 Å²	56.9	45%	0.449	28%	0.278	S	S	.	.	S	Bend	trans	-85.7	55.2	176.2	-161.4	12.8	0	0	0	111.6	N893 M959	N893-D895 PolarHBondContact O-N 3.19Å; N893-D895 PolarHBondContact OD1-N 3.15Å; D895-M959 HydrophobicContact CB-CB 4.5Å
896	T	66.5	Low	66.5	Low	35 Å²	35	49.2 Å²	49.2	22%	0.215	24%	0.242	C	C	.	.	S	Bend	trans	-107	168.2	171.2	55.3	0	0	0	0	109.9	N893 L894 Y898 G899 R900	N893-T896 HydrophobicContact CB-CG2 4.02Å; N893-T896 WeakPolarHBondContact O-CG2 3.45Å; N893-T896 PolarHBondContact O-OG1 3.4Å; L894-T896 PolarHBondContact O-N 3.27Å; T896-Y898 PolarHBondContact O-N 3.38Å; T896-G899 PolarHBondContact O-N 3.44Å; T896-G899 PolarHBondContact OG1-N 3.39Å; T896-R900 PolarHBondContact O-N 2.75Å
897	K	70.5	Confident	69.2	Low	88 Å²	88	47.2 Å²	47.2	38%	0.383	23%	0.23	S	C	.	.	H	α-helix	trans	-57	-29.7	170.8	69.4	-171.4	-178.7	-163.1	0	112.2	A901	K897-A901 WeakPolarHBondContact O-CB 3.47Å; K897-A901 PolarHBondContact O-N 3.16Å
898	Y	80	Confident	71.5	Confident	23 Å²	23	43.8 Å²	43.8	9%	0.09	22%	0.219	C	C	.	.	H	α-helix	trans	-74	-43.2	176.3	-51.6	-67.8	0	0	0	111.8	T896 A901 A902 V989 A992 R997 Y998 D999	T896-Y898 PolarHBondContact O-N 3.38Å; Y898-A901 PolarHBondContact O-N 3.19Å; Y898-A902 VanDerWaalsContact O-CB 3.27Å; Y898-A902 WeakPolarHBondContact O-CB 3.42Å; Y898-A902 PolarHBondContact O-N 2.89Å; Y898-V989 HydrophobicContact CG-CG2 4.32Å; Y898-A992 HydrophobicContact CD1-CB 3.96Å; Y898-A992 HydrophobicContact CE1-CB 3.52Å; Y898-R997 PolarHBondContact OH-O 3.04Å; Y898-Y998 HydrophobicContact CD1-CD2 4.45Å; Y898-Y998 HydrophobicContact CD2-CD2 4.23Å; Y898-Y998 AromaticContact CD2-CE2 3.89Å; Y898-Y998 HydrophobicContact CD2-CE2 3.89Å; Y898-Y998 AromaticContact CE1-CD2 3.98Å; Y898-Y998 HydrophobicContact CE1-CD2 3.98Å; Y898-Y998 AromaticContact CE2-CD2 3.72Å; Y898-Y998 HydrophobicContact CE2-CD2 3.72Å; Y898-Y998 AromaticContact CE2-CE2 3.69Å; Y898-Y998 HydrophobicContact CE2-CE2 3.69Å; Y898-Y998 HydrophobicContact CG-CE2 4.41Å; Y898-Y998 AromaticContact CZ-CD2 3.58Å; Y898-Y998 WeakPolarHBondContact OH-CA 3.46Å; Y898-D999 PolarHBondContact OH-N 2.9Å
899	G	81.7	Confident	73.9	Confident	0 Å²	0	42 Å²	42	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-65.7	-36.1	175	0	0	0	0	0	113.9	L894 T896 A902 L903 M959	L894-G899 VanDerWaalsContact O-CA 3.3Å; L894-G899 WeakPolarHBondContact O-CA 3.5Å; T896-G899 PolarHBondContact O-N 3.44Å; T896-G899 PolarHBondContact OG1-N 3.39Å; G899-A902 PolarHBondContact O-N 2.91Å; G899-L903 VanDerWaalsContact O-CB 3.3Å; G899-L903 WeakPolarHBondContact O-CB 3.38Å; G899-L903 PolarHBondContact O-N 3.5Å; G899-M959 WeakPolarHBondContact O-CE 3.31Å
900	R	84.1	Confident	76.2	Confident	143 Å²	143	40.4 Å²	40.4	54%	0.54	20%	0.201	S	C	.	.	H	α-helix	trans	-65.2	-45.8	171.3	-73.5	-175.1	-77.1	157	-7.4	112.2	T896 L903 E904	T896-R900 PolarHBondContact O-N 2.75Å; R900-L903 PolarHBondContact O-N 3.27Å; R900-E904 WeakPolarHBondContact O-CB 3.22Å; R900-E904 PolarHBondContact O-N 3.39Å
901	A	86.7	Confident	78.4	Confident	37 Å²	37	39.6 Å²	39.6	31%	0.306	19%	0.193	S	C	.	.	H	α-helix	trans	-61.5	-44.1	175	0	0	0	0	0	111.5	K897 Y898 L903 E904 T905 V988	K897-A901 WeakPolarHBondContact O-CB 3.47Å; K897-A901 PolarHBondContact O-N 3.16Å; Y898-A901 PolarHBondContact O-N 3.19Å; A901-L903 PolarHBondContact O-N 2.79Å; A901-E904 PolarHBondContact O-N 3.5Å; A901-T905 WeakPolarHBondContact O-CB 3.44Å; A901-T905 PolarHBondContact O-N 3Å; A901-T905 PolarHBondContact O-OG1 2.84Å; A901-V988 HydrophobicContact CB-CG1 4.3Å
902	A	89.4	Confident	80.5	Confident	0 Å²	0	40.5 Å²	40.5	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-63.2	-41.8	177.3	0	0	0	0	0	112.2	Y898 G899 T905 T906 F981 T984 L985 V988	Y898-A902 VanDerWaalsContact O-CB 3.27Å; Y898-A902 WeakPolarHBondContact O-CB 3.42Å; Y898-A902 PolarHBondContact O-N 2.89Å; G899-A902 PolarHBondContact O-N 2.91Å; A902-T905 PolarHBondContact O-N 2.82Å; A902-T906 WeakPolarHBondContact O-CB 3.46Å; A902-T906 PolarHBondContact O-N 3.14Å; A902-T906 PolarHBondContact O-OG1 3.08Å; A902-F981 HydrophobicContact CB-CE2 4.03Å; A902-T984 HydrophobicContact CB-CG2 4.34Å; A902-L985 HydrophobicContact CB-CB 3.79Å; A902-L985 HydrophobicContact CB-CD1 3.85Å; A902-L985 HydrophobicContact CB-CG 4.44Å; A902-V988 HydrophobicContact CB-CB 4.44Å; A902-V988 HydrophobicContact CB-CG2 4.19Å
903	L	90.1	Very high	82.3	Confident	5 Å²	5	44.7 Å²	44.7	3%	0.026	23%	0.229	C	C	.	.	H	α-helix	trans	-61.4	-47.4	175.4	175.1	59.7	0	0	0	110.8	G899 R900 A901 T905 T906 L907 I957 M959 F962 F981	G899-L903 VanDerWaalsContact O-CB 3.3Å; G899-L903 WeakPolarHBondContact O-CB 3.38Å; G899-L903 PolarHBondContact O-N 3.5Å; R900-L903 PolarHBondContact O-N 3.27Å; A901-L903 PolarHBondContact O-N 2.79Å; L903-T905 PolarHBondContact O-N 3.21Å; L903-T906 PolarHBondContact O-N 3.06Å; L903-L907 HydrophobicContact CD1-CD1 3.85Å; L903-L907 HydrophobicContact CD1-CG 4.08Å; L903-L907 HydrophobicContact CG-CD1 3.96Å; L903-L907 VanDerWaalsContact O-CG 3.26Å; L903-L907 WeakPolarHBondContact O-CG 3.43Å; L903-L907 PolarHBondContact O-N 2.92Å; L903-I957 HydrophobicContact CD2-CG2 4.19Å; L903-M959 HydrophobicContact CB-CE 4.1Å; L903-M959 HydrophobicContact CD2-CE 4.19Å; L903-F962 HydrophobicContact CD1-CB 3.89Å; L903-F962 HydrophobicContact CD1-CD1 3.78Å; L903-F962 HydrophobicContact CD1-CD2 3.49Å; L903-F962 VanDerWaalsContact CD1-CD2 3.49Å; L903-F962 HydrophobicContact CD1-CE1 4.15Å; L903-F962 HydrophobicContact CD1-CE2 3.88Å; L903-F962 HydrophobicContact CD1-CG 3.43Å; L903-F962 VanDerWaalsContact CD1-CG 3.43Å; L903-F962 HydrophobicContact CD1-CZ 4.19Å; L903-F962 HydrophobicContact CD2-CB 3.9Å; L903-F962 HydrophobicContact CD2-CG 4.32Å; L903-F981 HydrophobicContact CB-CD2 4.44Å; L903-F981 HydrophobicContact CB-CE2 3.94Å
904	E	90.7	Very high	83.7	Confident	96 Å²	96	44 Å²	44	45%	0.449	23%	0.228	S	C	.	.	H	α-helix	trans	-59.7	-45.6	176.4	-171.9	-177.9	170.2	0	0	111.3	R900 A901 L907 K908	R900-E904 WeakPolarHBondContact O-CB 3.22Å; R900-E904 PolarHBondContact O-N 3.39Å; A901-E904 PolarHBondContact O-N 3.5Å; E904-L907 PolarHBondContact O-N 2.87Å; E904-K908 HydrophobicContact CG-CD 4.01Å; E904-K908 HydrophobicContact CG-CG 4.5Å; E904-K908 VanDerWaalsContact O-CB 3.3Å; E904-K908 WeakPolarHBondContact O-CB 3.48Å; E904-K908 VanDerWaalsContact O-CG 3.22Å; E904-K908 WeakPolarHBondContact O-CG 3.48Å; E904-K908 PolarHBondContact O-N 3.1Å; E904-K908 WeakPolarHBondContact OE1-CE 3.45Å; E904-K908 IonicContact OE1-NZ 2.65Å; E904-K908 PolarHBondContact OE1-NZ 2.86Å
905	T	91.2	Very high	84.8	Confident	30 Å²	30	46.6 Å²	46.6	18%	0.184	25%	0.252	C	S	.	.	H	α-helix	trans	-60.6	-47.1	175	-58.9	0	0	0	0	111.5	A901 A902 L903 L907 K908 S909 I917 T984	A901-T905 WeakPolarHBondContact O-CB 3.44Å; A901-T905 PolarHBondContact O-N 3Å; A901-T905 PolarHBondContact O-OG1 2.84Å; A902-T905 PolarHBondContact O-N 2.82Å; L903-T905 PolarHBondContact O-N 3.21Å; T905-L907 PolarHBondContact O-N 3.03Å; T905-K908 PolarHBondContact O-N 3.23Å; T905-S909 VanDerWaalsContact O-CB 3.31Å; T905-S909 WeakPolarHBondContact O-CB 3.45Å; T905-S909 PolarHBondContact O-N 2.78Å; T905-S909 PolarHBondContact O-OG 3.2Å; T905-S909 VanDerWaalsContact O-OG 3.1Å; T905-I917 HydrophobicContact CG2-CD1 4.11Å; T905-I917 HydrophobicContact CG2-CG1 4.22Å; T905-T984 HydrophobicContact CG2-CG2 3.85Å
906	T	91.6	Very high	86	Confident	0 Å²	0	45.8 Å²	45.8	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-58	-48.8	178.3	-66.4	0	0	0	0	111.7	A902 L903 S909 I910 L977 Y980 F981 T984	A902-T906 WeakPolarHBondContact O-CB 3.46Å; A902-T906 PolarHBondContact O-N 3.14Å; A902-T906 PolarHBondContact O-OG1 3.08Å; L903-T906 PolarHBondContact O-N 3.06Å; T906-S909 PolarHBondContact O-N 2.95Å; T906-I910 HydrophobicContact CG2-CD1 3.94Å; T906-I910 WeakPolarHBondContact O-CG1 3.46Å; T906-I910 PolarHBondContact O-N 3.18Å; T906-L977 HydrophobicContact CG2-CD1 4.4Å; T906-Y980 HydrophobicContact CG2-CD1 3.73Å; T906-Y980 HydrophobicContact CG2-CE1 3.95Å; T906-F981 HydrophobicContact CG2-CB 4.25Å; T906-F981 WeakPolarHBondContact OG1-CA 3.29Å; T906-T984 WeakPolarHBondContact OG1-CB 3.26Å; T906-T984 PolarHBondContact OG1-OG1 3.16Å
907	L	91.7	Very high	87.1	Confident	3 Å²	3	47.9 Å²	47.9	2%	0.016	26%	0.261	C	S	.	.	H	α-helix	trans	-64.3	-44	179.5	-66.3	168.8	0	0	0	111.5	L903 E904 T905 I910 L911 M936 L953 I957	L903-L907 HydrophobicContact CD1-CD1 3.85Å; L903-L907 HydrophobicContact CD1-CG 4.08Å; L903-L907 HydrophobicContact CG-CD1 3.96Å; L903-L907 VanDerWaalsContact O-CG 3.26Å; L903-L907 WeakPolarHBondContact O-CG 3.43Å; L903-L907 PolarHBondContact O-N 2.92Å; E904-L907 PolarHBondContact O-N 2.87Å; T905-L907 PolarHBondContact O-N 3.03Å; L907-I910 PolarHBondContact O-N 2.89Å; L907-L911 WeakPolarHBondContact O-CG 3.42Å; L907-L911 PolarHBondContact O-N 3.07Å; L907-L911 VanDerWaalsContact O-N 3.08Å; L907-M936 HydrophobicContact CD2-CE 3.55Å; L907-M936 HydrophobicContact CD2-SD 3.6Å; L907-M936 VanDerWaalsContact CD2-SD 3.6Å; L907-L953 HydrophobicContact CB-CD1 3.94Å; L907-L953 HydrophobicContact CD1-CD1 4.18Å; L907-L953 HydrophobicContact CD1-CD2 4.31Å; L907-L953 HydrophobicContact CD2-CD1 4.42Å; L907-L953 HydrophobicContact CG-CD1 4.4Å; L907-I957 HydrophobicContact CD1-CB 4.47Å; L907-I957 HydrophobicContact CD1-CD1 3.96Å; L907-I957 HydrophobicContact CD1-CG2 3.99Å
908	K	90.3	Very high	88	Confident	59 Å²	59	44.4 Å²	44.4	26%	0.257	25%	0.247	S	C	.	.	H	α-helix	trans	-67.7	-33.5	178.2	-72.5	-177.4	172.6	176.5	0	113	E904 T905 L911 G912 W913 V914	E904-K908 HydrophobicContact CG-CD 4.01Å; E904-K908 HydrophobicContact CG-CG 4.5Å; E904-K908 VanDerWaalsContact O-CB 3.3Å; E904-K908 WeakPolarHBondContact O-CB 3.48Å; E904-K908 VanDerWaalsContact O-CG 3.22Å; E904-K908 WeakPolarHBondContact O-CG 3.48Å; E904-K908 PolarHBondContact O-N 3.1Å; E904-K908 WeakPolarHBondContact OE1-CE 3.45Å; E904-K908 IonicContact OE1-NZ 2.65Å; E904-K908 PolarHBondContact OE1-NZ 2.86Å; T905-K908 PolarHBondContact O-N 3.23Å; K908-L911 PolarHBondContact O-N 2.97Å; K908-G912 PolarHBondContact O-N 2.96Å; K908-G912 VanDerWaalsContact O-N 3.16Å; K908-W913 HydrophobicContact CB-CB 4.32Å; K908-W913 HydrophobicContact CD-CE3 4.48Å; K908-W913 HydrophobicContact CG-CE3 3.94Å; K908-W913 PolarHBondContact O-N 2.92Å; K908-V914 HydrophobicContact CB-CB 4.13Å; K908-V914 HydrophobicContact CB-CG2 3.82Å; K908-V914 HydrophobicContact CD-CG2 4.05Å; K908-V914 PolarHBondContact O-N 2.89Å
909	S	91.3	Very high	88.4	Confident	4 Å²	4	48.6 Å²	48.6	3%	0.028	28%	0.277	C	S	.	.	H	α-helix	trans	-70.8	-36.7	175.4	-69.8	0	0	0	0	112.4	T905 T906 L911 G912 V914 Y980	T905-S909 VanDerWaalsContact O-CB 3.31Å; T905-S909 WeakPolarHBondContact O-CB 3.45Å; T905-S909 PolarHBondContact O-N 2.78Å; T905-S909 PolarHBondContact O-OG 3.2Å; T905-S909 VanDerWaalsContact O-OG 3.1Å; T906-S909 PolarHBondContact O-N 2.95Å; S909-L911 VanDerWaalsContact C-N 3.32Å; S909-G912 PolarHBondContact O-N 3.27Å; S909-G912 VanDerWaalsContact O-N 3.13Å; S909-V914 VanDerWaalsContact CA-O 3.27Å; S909-V914 WeakPolarHBondContact CA-O 3.47Å; S909-V914 PolarHBondContact OG-O 2.77Å; S909-V914 VanDerWaalsContact OG-O 3.05Å; S909-Y980 WeakPolarHBondContact CB-OH 3.36Å
910	I	89.7	Confident	88.7	Confident	7 Å²	7	51 Å²	51	4%	0.036	29%	0.294	C	S	.	.	H	α-helix	trans	-67.3	-35.3	173.5	-68.1	164	0	0	0	111.5	T906 L907 G912 F929 M932 L933 M936 L977 Y980	T906-I910 HydrophobicContact CG2-CD1 3.94Å; T906-I910 WeakPolarHBondContact O-CG1 3.46Å; T906-I910 PolarHBondContact O-N 3.18Å; L907-I910 PolarHBondContact O-N 2.89Å; I910-G912 PolarHBondContact O-N 3.44Å; I910-F929 HydrophobicContact CG1-CD1 4.15Å; I910-M932 HydrophobicContact CD1-CB 4.2Å; I910-M932 HydrophobicContact CG1-CB 4.45Å; I910-M932 HydrophobicContact CG2-CB 3.93Å; I910-L933 HydrophobicContact CG2-CB 4.39Å; I910-L933 HydrophobicContact CG2-CD1 4.49Å; I910-M936 HydrophobicContact CB-SD 4.34Å; I910-M936 HydrophobicContact CD1-CE 3.33Å; I910-M936 HydrophobicContact CD1-SD 4.13Å; I910-M936 HydrophobicContact CG2-CE 4.49Å; I910-M936 HydrophobicContact CG2-SD 3.93Å; I910-L977 HydrophobicContact CD1-CD1 3.49Å; I910-L977 VanDerWaalsContact CD1-CD1 3.49Å; I910-Y980 HydrophobicContact CD1-CD1 4.47Å; I910-Y980 HydrophobicContact CG1-CE1 4.4Å
911	L	87.3	Confident	88.7	Confident	24 Å²	24	45 Å²	45	13%	0.126	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.6	-8.4	172.1	-75.2	167.1	0	0	0	114.4	L907 K908 S909 W913 L933 V942 F951 L953	L907-L911 WeakPolarHBondContact O-CG 3.42Å; L907-L911 PolarHBondContact O-N 3.07Å; L907-L911 VanDerWaalsContact O-N 3.08Å; K908-L911 PolarHBondContact O-N 2.97Å; S909-L911 VanDerWaalsContact C-N 3.32Å; L911-W913 VanDerWaalsContact C-N 3.26Å; L911-W913 HydrophobicContact CB-CD2 4.17Å; L911-W913 HydrophobicContact CB-CG 4.12Å; L911-W913 HydrophobicContact CD1-CD2 4.25Å; L911-W913 HydrophobicContact CD1-CE3 4.28Å; L911-W913 HydrophobicContact CD1-CH2 4.05Å; L911-W913 HydrophobicContact CD1-CZ2 4.03Å; L911-W913 HydrophobicContact CD1-CZ3 4.17Å; L911-W913 PolarHBondContact O-N 3.19Å; L911-L933 HydrophobicContact CD2-CD1 3.81Å; L911-V942 HydrophobicContact CD1-CG1 4.21Å; L911-V942 HydrophobicContact CD2-CG1 3.81Å; L911-V942 HydrophobicContact CG-CG1 4.22Å; L911-F951 HydrophobicContact CD2-CB 3.41Å; L911-F951 VanDerWaalsContact CD2-CB 3.41Å; L911-F951 HydrophobicContact CD2-CG 4.34Å; L911-L953 HydrophobicContact CD1-CB 4.22Å; L911-L953 HydrophobicContact CD1-CD1 3.91Å
912	G	85.7	Confident	88.4	Confident	65 Å²	65	48 Å²	48	67%	0.67	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.9	10.4	-175.4	0	0	0	0	0	115.1	K908 S909 I910	K908-G912 PolarHBondContact O-N 2.96Å; K908-G912 VanDerWaalsContact O-N 3.16Å; S909-G912 PolarHBondContact O-N 3.27Å; S909-G912 VanDerWaalsContact O-N 3.13Å; I910-G912 PolarHBondContact O-N 3.44Å
913	W	85.4	Confident	87.9	Confident	138 Å²	138	55.3 Å²	55.3	52%	0.523	34%	0.337	S	S	.	.	S	Bend	trans	-75.8	-26.9	177.9	-64.1	-4.5	0	0	0	112.9	K908 L911 F951 L953	K908-W913 HydrophobicContact CB-CB 4.32Å; K908-W913 HydrophobicContact CD-CE3 4.48Å; K908-W913 HydrophobicContact CG-CE3 3.94Å; K908-W913 PolarHBondContact O-N 2.92Å; L911-W913 VanDerWaalsContact C-N 3.26Å; L911-W913 HydrophobicContact CB-CD2 4.17Å; L911-W913 HydrophobicContact CB-CG 4.12Å; L911-W913 HydrophobicContact CD1-CD2 4.25Å; L911-W913 HydrophobicContact CD1-CE3 4.28Å; L911-W913 HydrophobicContact CD1-CH2 4.05Å; L911-W913 HydrophobicContact CD1-CZ2 4.03Å; L911-W913 HydrophobicContact CD1-CZ3 4.17Å; L911-W913 PolarHBondContact O-N 3.19Å; W913-F951 WeakPolarHBondContact CZ2-O 3.24Å; W913-L953 HydrophobicContact CH2-CB 4.24Å; W913-L953 HydrophobicContact CZ3-CB 4.42Å
914	V	86.9	Confident	87.6	Confident	59 Å²	59	57 Å²	57	36%	0.358	34%	0.344	S	S	.	.	S	Bend	trans	-132.7	131.9	-179.4	177	0	0	0	0	108.7	K908 S909	K908-V914 HydrophobicContact CB-CB 4.13Å; K908-V914 HydrophobicContact CB-CG2 3.82Å; K908-V914 HydrophobicContact CD-CG2 4.05Å; K908-V914 PolarHBondContact O-N 2.89Å; S909-V914 VanDerWaalsContact CA-O 3.27Å; S909-V914 WeakPolarHBondContact CA-O 3.47Å; S909-V914 PolarHBondContact OG-O 2.77Å; S909-V914 VanDerWaalsContact OG-O 3.05Å
915	A	87.6	Confident	86.8	Confident	78 Å²	78	59 Å²	59	65%	0.645	35%	0.351	S	S	*	.			trans	-56.3	133.6	176.5	0	0	0	0	0	111	I917	A915-I917 PolarHBondContact O-N 3.49Å
916	P	88.5	Confident	86.1	Confident	67 Å²	67	60.2 Å²	60.2	44%	0.435	37%	0.369	S	S	.	.			trans	-56.2	122.4	176.3	-27.3	35.8	0	0	0	111.8	V918 F929 Y980	P916-V918 VanDerWaalsContact C-N 3.34Å; P916-F929 HydrophobicContact CB-CZ 3.99Å; P916-F929 HydrophobicContact CG-CE1 3.99Å; P916-F929 HydrophobicContact CG-CE2 4.26Å; P916-F929 HydrophobicContact CG-CZ 3.57Å; P916-Y980 WeakPolarHBondContact CB-OH 3.27Å
917	I	89.1	Confident	85.9	Confident	80 Å²	80	63 Å²	63	41%	0.41	39%	0.388	S	S	.	.	S	Bend	trans	-81	-17.6	175.1	60.3	170	0	0	0	112.9	T905 A915 T984 E987 V988	T905-I917 HydrophobicContact CG2-CD1 4.11Å; T905-I917 HydrophobicContact CG2-CG1 4.22Å; A915-I917 PolarHBondContact O-N 3.49Å; I917-T984 HydrophobicContact CD1-CG2 3.85Å; I917-T984 HydrophobicContact CG1-CG2 4.11Å; I917-E987 HydrophobicContact CB-CG 4.42Å; I917-E987 HydrophobicContact CD1-CB 4Å; I917-E987 HydrophobicContact CD1-CG 3.95Å; I917-E987 HydrophobicContact CG1-CG 4.38Å; I917-V988 HydrophobicContact CD1-CG2 3.93Å
918	V	90.1	Very high	85.8	Confident	14 Å²	14	63.1 Å²	63.1	9%	0.085	39%	0.388	C	S	.	.	S	Bend	trans	-128.6	149.9	175.3	-65.7	0	0	0	0	109.8	P916 Y980 D983 T984 E987	P916-V918 VanDerWaalsContact C-N 3.34Å; V918-Y980 HydrophobicContact CG2-CD2 3.96Å; V918-Y980 HydrophobicContact CG2-CE2 3.63Å; V918-Y980 WeakPolarHBondContact O-CE2 3.43Å; V918-D983 HydrophobicContact CB-CB 4.38Å; V918-D983 HydrophobicContact CG1-CB 4.4Å; V918-D983 HydrophobicContact CG2-CB 4.18Å; V918-T984 WeakPolarHBondContact CG2-OG1 3.02Å; V918-E987 HydrophobicContact CG1-CB 3.77Å; V918-E987 HydrophobicContact CG1-CG 4.32Å
919	P	88.3	Confident	85.7	Confident	111 Å²	111	63 Å²	63	72%	0.721	39%	0.388	S	S	*	.	P	Polyproline II helix	trans	-67	158.9	175.2	29.2	-35	0	0	0	111.4
920	S	86.9	Confident	85.5	Confident	52 Å²	52	67.5 Å²	67.5	36%	0.364	41%	0.412	S	S	.	.	P	Polyproline II helix	trans	-63.5	156.1	169.7	54.7	0	0	0	0	111.1	A922	S920-A922 PolarHBondContact O-N 2.94Å
921	P	85.6	Confident	85.4	Confident	17 Å²	17	67.8 Å²	67.8	11%	0.11	41%	0.414	C	S	.	.	P	Polyproline II helix	trans	-56.9	128.1	176.7	-22.4	33.1	0	0	0	111.5	D923 Y924 F928 A976 Q979	P921-D923 PolarHBondContact O-N 3.15Å; P921-Y924 WeakPolarHBondContact O-CB 3.31Å; P921-Y924 PolarHBondContact O-N 2.69Å; P921-F928 HydrophobicContact CG-CD2 4.45Å; P921-F928 HydrophobicContact CG-CE2 4.15Å; P921-A976 HydrophobicContact CG-CB 4.31Å; P921-A976 WeakPolarHBondContact CG-O 3.33Å; P921-Q979 HydrophobicContact CB-CG 4.38Å; P921-Q979 HydrophobicContact CG-CB 4.31Å; P921-Q979 HydrophobicContact CG-CG 4.28Å
922	A	79.7	Confident	85.6	Confident	99 Å²	99	66.7 Å²	66.7	82%	0.818	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.2	-29.5	-175.2	0	0	0	0	0	113.2	S920 Y924	S920-A922 PolarHBondContact O-N 2.94Å; A922-Y924 VanDerWaalsContact C-N 3.26Å; A922-Y924 PolarHBondContact O-N 2.95Å
923	D	78.5	Confident	85.6	Confident	154 Å²	154	65.1 Å²	65.1	82%	0.824	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.7	-5.4	-176.6	-47.1	-35.1	0	0	0	112.4	P921 K925	P921-D923 PolarHBondContact O-N 3.15Å; D923-K925 PolarHBondContact O-N 2.72Å
924	Y	82.8	Confident	85.5	Confident	41 Å²	41	60.9 Å²	60.9	16%	0.161	37%	0.37	C	S	.	.			trans	-79.5	113.3	-178.7	-168.3	-94.8	0	0	0	111.1	P921 A922 G926 F928 D931 M932 A976	P921-Y924 WeakPolarHBondContact O-CB 3.31Å; P921-Y924 PolarHBondContact O-N 2.69Å; A922-Y924 VanDerWaalsContact C-N 3.26Å; A922-Y924 PolarHBondContact O-N 2.95Å; Y924-G926 PolarHBondContact O-N 3.17Å; Y924-F928 HydrophobicContact CD1-CB 3.77Å; Y924-F928 HydrophobicContact CD1-CD2 4.06Å; Y924-F928 HydrophobicContact CD1-CG 4.44Å; Y924-F928 HydrophobicContact CD2-CD2 4.32Å; Y924-F928 HydrophobicContact CE1-CB 4.13Å; Y924-F928 HydrophobicContact CE1-CD2 4.36Å; Y924-F928 HydrophobicContact CG-CB 4.45Å; Y924-F928 HydrophobicContact CG-CD2 4.03Å; Y924-D931 HydrophobicContact CE1-CB 4.3Å; Y924-D931 WeakPolarHBondContact CE1-OD2 3.49Å; Y924-D931 WeakPolarHBondContact OH-CB 3.4Å; Y924-D931 PolarHBondContact OH-OD2 3.11Å; Y924-M932 HydrophobicContact CE2-CE 3.89Å; Y924-A976 HydrophobicContact CD2-CB 3.33Å; Y924-A976 HydrophobicContact CE2-CB 3.86Å; Y924-A976 HydrophobicContact CG-CB 4.21Å
925	K	74.1	Confident	85.6	Confident	138 Å²	138	58.4 Å²	58.4	60%	0.6	35%	0.354	S	S	*	.			trans	-85.6	95.2	177.7	-60.1	177.8	-173.8	170.8	0	109.1	V695 D923	V695-K925 HydrophobicContact CG1-CB 4.13Å; V695-K925 HydrophobicContact CG2-CD 3.79Å; D923-K925 PolarHBondContact O-N 2.72Å
926	G	77.7	Confident	85.6	Confident	54 Å²	54	54.7 Å²	54.7	56%	0.557	32%	0.324	S	S	*	.	S	Bend	trans	149.7	-177.6	179.1	0	0	0	0	0	113.4	Y924 F928	Y924-G926 PolarHBondContact O-N 3.17Å; G926-F928 PolarHBondContact O-N 2.86Å; G926-F928 VanDerWaalsContact O-N 3.14Å
927	S	86.3	Confident	85.4	Confident	58 Å²	58	53.6 Å²	53.6	41%	0.406	31%	0.313	S	S	.	.			trans	-84.1	86.2	172.5	-177.6	0	0	0	0	109.1	F929 N930 D931	S927-F929 VanDerWaalsContact C-N 3.28Å; S927-F929 PolarHBondContact O-N 2.86Å; S927-F929 VanDerWaalsContact O-N 3.11Å; S927-N930 PolarHBondContact O-N 3.48Å; S927-N930 VanDerWaalsContact OG-CG 3.29Å; S927-N930 PolarHBondContact OG-ND2 3.22Å; S927-D931 WeakPolarHBondContact O-CB 3.47Å; S927-D931 VanDerWaalsContact O-CG 3.28Å; S927-D931 PolarHBondContact O-N 3.25Å
928	F	89.6	Confident	85.1	Confident	6 Å²	6	50.3 Å²	50.3	3%	0.026	30%	0.298	C	S	.	.	H	α-helix	trans	-43.8	-50.6	-174.2	175.9	-100.2	0	0	0	113.4	P921 Y924 G926 M932 A976 Y980	P921-F928 HydrophobicContact CG-CD2 4.45Å; P921-F928 HydrophobicContact CG-CE2 4.15Å; Y924-F928 HydrophobicContact CD1-CB 3.77Å; Y924-F928 HydrophobicContact CD1-CD2 4.06Å; Y924-F928 HydrophobicContact CD1-CG 4.44Å; Y924-F928 HydrophobicContact CD2-CD2 4.32Å; Y924-F928 HydrophobicContact CE1-CB 4.13Å; Y924-F928 HydrophobicContact CE1-CD2 4.36Å; Y924-F928 HydrophobicContact CG-CB 4.45Å; Y924-F928 HydrophobicContact CG-CD2 4.03Å; G926-F928 PolarHBondContact O-N 2.86Å; G926-F928 VanDerWaalsContact O-N 3.14Å; F928-M932 HydrophobicContact CD1-CG 4.43Å; F928-M932 HydrophobicContact CD2-CE 4.31Å; F928-M932 HydrophobicContact CD2-CG 3.93Å; F928-M932 HydrophobicContact CE1-CG 4.12Å; F928-M932 HydrophobicContact CE2-CE 4.26Å; F928-M932 HydrophobicContact CE2-CG 3.57Å; F928-M932 HydrophobicContact CE2-SD 4.13Å; F928-M932 HydrophobicContact CG-CG 4.35Å; F928-M932 HydrophobicContact CZ-CG 3.67Å; F928-M932 VanDerWaalsContact O-CB 3.25Å; F928-M932 WeakPolarHBondContact O-CB 3.42Å; F928-M932 WeakPolarHBondContact O-CG 3.37Å; F928-M932 PolarHBondContact O-N 3.48Å; F928-A976 HydrophobicContact CD2-CB 4.35Å; F928-A976 HydrophobicContact CE2-CB 3.99Å; F928-Y980 AromaticContact CE1-CD1 3.79Å; F928-Y980 HydrophobicContact CE1-CD1 3.79Å; F928-Y980 AromaticContact CE1-CD2 3.94Å; F928-Y980 HydrophobicContact CE1-CD2 3.94Å; F928-Y980 HydrophobicContact CE1-CE1 4.26Å; F928-Y980 HydrophobicContact CE1-CE2 4.38Å; F928-Y980 AromaticContact CE1-CG 3.63Å; F928-Y980 HydrophobicContact CE1-CG 3.63Å; F928-Y980 VanDerWaalsContact CZ-CB 3.49Å; F928-Y980 AromaticContact CZ-CD1 3.95Å; F928-Y980 HydrophobicContact CZ-CD1 3.95Å; F928-Y980 HydrophobicContact CZ-CD2 4.31Å; F928-Y980 AromaticContact CZ-CG 3.66Å; F928-Y980 HydrophobicContact CZ-CG 3.66Å
929	F	89.7	Confident	85	Confident	57 Å²	57	49.7 Å²	49.7	25%	0.25	30%	0.295	C	S	.	.	H	α-helix	trans	-67.3	-39.8	-177.5	-65.2	-71.2	0	0	0	113.1	I910 P916 S927 L933 Y980	I910-F929 HydrophobicContact CG1-CD1 4.15Å; P916-F929 HydrophobicContact CB-CZ 3.99Å; P916-F929 HydrophobicContact CG-CE1 3.99Å; P916-F929 HydrophobicContact CG-CE2 4.26Å; P916-F929 HydrophobicContact CG-CZ 3.57Å; S927-F929 VanDerWaalsContact C-N 3.28Å; S927-F929 PolarHBondContact O-N 2.86Å; S927-F929 VanDerWaalsContact O-N 3.11Å; F929-L933 WeakPolarHBondContact O-CB 3.48Å; F929-L933 PolarHBondContact O-N 2.84Å; F929-Y980 HydrophobicContact CE1-CE1 4.32Å; F929-Y980 HydrophobicContact CE1-CE2 4.3Å; F929-Y980 AromaticContact CE1-CZ 3.84Å; F929-Y980 HydrophobicContact CZ-CE2 4.21Å
930	N	86.8	Confident	84.8	Confident	98 Å²	98	44.8 Å²	44.8	52%	0.524	26%	0.264	S	S	.	.	H	α-helix	trans	-70	-45	179	-66.1	-18	0	0	0	111	S927 L933 Q934	S927-N930 PolarHBondContact O-N 3.48Å; S927-N930 VanDerWaalsContact OG-CG 3.29Å; S927-N930 PolarHBondContact OG-ND2 3.22Å; N930-L933 WeakPolarHBondContact O-CB 3.28Å; N930-L933 PolarHBondContact O-N 3.17Å; N930-Q934 PolarHBondContact O-N 2.91Å
931	D	87.8	Confident	84.8	Confident	14 Å²	14	42.3 Å²	42.3	8%	0.075	25%	0.247	C	C	.	.	H	α-helix	trans	-61.9	-47.9	178.7	-65.8	-4.3	0	0	0	110.5	A698 Y924 S927 L933 Q934 F935	A698-D931 HydrophobicContact CB-CB 3.58Å; A698-D931 VanDerWaalsContact CB-CG 3.48Å; A698-D931 WeakPolarHBondContact CB-OD1 3.45Å; Y924-D931 HydrophobicContact CE1-CB 4.3Å; Y924-D931 WeakPolarHBondContact CE1-OD2 3.49Å; Y924-D931 WeakPolarHBondContact OH-CB 3.4Å; Y924-D931 PolarHBondContact OH-OD2 3.11Å; S927-D931 WeakPolarHBondContact O-CB 3.47Å; S927-D931 VanDerWaalsContact O-CG 3.28Å; S927-D931 PolarHBondContact O-N 3.25Å; D931-L933 VanDerWaalsContact C-N 3.29Å; D931-L933 PolarHBondContact O-N 3.43Å; D931-Q934 PolarHBondContact O-N 3.01Å; D931-F935 HydrophobicContact CB-CD2 4.46Å; D931-F935 HydrophobicContact CB-CE2 4.25Å; D931-F935 WeakPolarHBondContact O-CD2 3.39Å; D931-F935 WeakPolarHBondContact O-CG 3.4Å; D931-F935 PolarHBondContact O-N 3.01Å
932	M	90	Very high	84.7	Confident	0 Å²	0	41.5 Å²	41.5	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-62.5	-35.8	177.2	-71.1	-48.5	111.2	0	0	112	I910 Y924 F928 Q934 F935 M936 A973 L977	I910-M932 HydrophobicContact CD1-CB 4.2Å; I910-M932 HydrophobicContact CG1-CB 4.45Å; I910-M932 HydrophobicContact CG2-CB 3.93Å; Y924-M932 HydrophobicContact CE2-CE 3.89Å; F928-M932 HydrophobicContact CD1-CG 4.43Å; F928-M932 HydrophobicContact CD2-CE 4.31Å; F928-M932 HydrophobicContact CD2-CG 3.93Å; F928-M932 HydrophobicContact CE1-CG 4.12Å; F928-M932 HydrophobicContact CE2-CE 4.26Å; F928-M932 HydrophobicContact CE2-CG 3.57Å; F928-M932 HydrophobicContact CE2-SD 4.13Å; F928-M932 HydrophobicContact CG-CG 4.35Å; F928-M932 HydrophobicContact CZ-CG 3.67Å; F928-M932 VanDerWaalsContact O-CB 3.25Å; F928-M932 WeakPolarHBondContact O-CB 3.42Å; F928-M932 WeakPolarHBondContact O-CG 3.37Å; F928-M932 PolarHBondContact O-N 3.48Å; M932-Q934 PolarHBondContact O-N 3Å; M932-F935 HydrophobicContact CE-CD2 3.75Å; M932-F935 HydrophobicContact CE-CE2 4.12Å; M932-F935 PolarHBondContact O-N 3.34Å; M932-F935 HydrophobicContact SD-CD2 4.33Å; M932-M936 VanDerWaalsContact O-CB 3.24Å; M932-M936 WeakPolarHBondContact O-CB 3.5Å; M932-M936 WeakPolarHBondContact O-CG 3.5Å; M932-M936 PolarHBondContact O-N 3.42Å; M932-A973 HydrophobicContact CE-CB 3.79Å; M932-L977 HydrophobicContact CG-CD1 4.31Å; M932-L977 HydrophobicContact SD-CB 3.73Å; M932-L977 HydrophobicContact SD-CD1 4.24Å; M932-L977 HydrophobicContact SD-CD2 4.44Å; M932-L977 HydrophobicContact SD-CG 4.34Å
933	L	87	Confident	84.7	Confident	33 Å²	33	40.6 Å²	40.6	17%	0.173	22%	0.218	C	C	.	.	H	α-helix	trans	-61.3	-44.8	177.6	-172.6	70.7	0	0	0	111.6	I910 L911 F929 N930 D931 M936 E937 F951	I910-L933 HydrophobicContact CG2-CB 4.39Å; I910-L933 HydrophobicContact CG2-CD1 4.49Å; L911-L933 HydrophobicContact CD2-CD1 3.81Å; F929-L933 WeakPolarHBondContact O-CB 3.48Å; F929-L933 PolarHBondContact O-N 2.84Å; N930-L933 WeakPolarHBondContact O-CB 3.28Å; N930-L933 PolarHBondContact O-N 3.17Å; D931-L933 VanDerWaalsContact C-N 3.29Å; D931-L933 PolarHBondContact O-N 3.43Å; L933-M936 PolarHBondContact O-N 2.93Å; L933-E937 PolarHBondContact O-N 3.46Å; L933-F951 HydrophobicContact CD1-CD2 4.09Å; L933-F951 HydrophobicContact CD1-CE2 4.4Å; L933-F951 HydrophobicContact CD1-CG 4.22Å; L933-F951 HydrophobicContact CD2-CD2 3.86Å; L933-F951 HydrophobicContact CD2-CE2 3.51Å; L933-F951 HydrophobicContact CD2-CZ 4.1Å; L933-F951 HydrophobicContact CG-CD2 4.21Å; L933-F951 HydrophobicContact CG-CE2 4.01Å; L933-F951 HydrophobicContact CG-CZ 4.22Å
934	Q	83.6	Confident	84.5	Confident	48 Å²	48	37.7 Å²	37.7	22%	0.224	20%	0.195	C	C	.	.	H	α-helix	trans	-66	-42.9	177	-62.3	-179.8	-8.3	0	0	111.7	D699 L702 N930 D931 M932 E937 G938	D699-Q934 PolarHBondContact OD1-NE2 3.35Å; D699-Q934 PolarHBondContact OD1-OE1 3.48Å; L702-Q934 HydrophobicContact CD1-CB 3.77Å; L702-Q934 HydrophobicContact CD1-CG 4.36Å; N930-Q934 PolarHBondContact O-N 2.91Å; D931-Q934 PolarHBondContact O-N 3.01Å; M932-Q934 PolarHBondContact O-N 3Å; Q934-E937 WeakPolarHBondContact O-CB 3.16Å; Q934-E937 PolarHBondContact O-N 3.28Å; Q934-G938 PolarHBondContact O-N 3.44Å
935	F	88.9	Confident	83.8	Confident	7 Å²	7	41.3 Å²	41.3	3%	0.031	21%	0.214	C	C	.	.	H	α-helix	trans	-62.9	-41.7	175	-76.8	-42.3	0	0	0	112.8	A698 F701 D931 M932 E937 G938 V939 L969 P970 A973	A698-F935 HydrophobicContact CB-CE2 4.03Å; A698-F935 HydrophobicContact CB-CZ 4.04Å; F701-F935 HydrophobicContact CD1-CE1 4.2Å; D931-F935 HydrophobicContact CB-CD2 4.46Å; D931-F935 HydrophobicContact CB-CE2 4.25Å; D931-F935 WeakPolarHBondContact O-CD2 3.39Å; D931-F935 WeakPolarHBondContact O-CG 3.4Å; D931-F935 PolarHBondContact O-N 3.01Å; M932-F935 HydrophobicContact CE-CD2 3.75Å; M932-F935 HydrophobicContact CE-CE2 4.12Å; M932-F935 PolarHBondContact O-N 3.34Å; M932-F935 HydrophobicContact SD-CD2 4.33Å; F935-E937 VanDerWaalsContact C-N 3.29Å; F935-E937 PolarHBondContact O-N 2.85Å; F935-G938 CarbonylContact O-C 3.49Å; F935-G938 WeakPolarHBondContact O-CA 3.46Å; F935-G938 PolarHBondContact O-N 3.3Å; F935-G938 VanDerWaalsContact O-N 3.08Å; F935-V939 WeakPolarHBondContact O-CG2 3.4Å; F935-V939 PolarHBondContact O-N 3.32Å; F935-L969 HydrophobicContact CB-CD2 3.62Å; F935-L969 HydrophobicContact CD1-CD2 4.27Å; F935-L969 HydrophobicContact CG-CD2 4.1Å; F935-P970 HydrophobicContact CD1-CG 4.34Å; F935-P970 HydrophobicContact CE1-CG 3.57Å; F935-P970 HydrophobicContact CZ-CG 3.77Å; F935-A973 HydrophobicContact CD2-CB 3.79Å; F935-A973 HydrophobicContact CE2-CB 3.59Å; F935-A973 HydrophobicContact CZ-CB 4.18Å
936	M	87	Confident	83.4	Confident	1 Å²	1	37.2 Å²	37.2	1%	0.005	20%	0.202	C	C	.	.	H	α-helix	trans	-64.9	-34.4	176.2	-77.3	-158.1	173.3	0	0	112.2	L907 I910 M932 L933 G940 F941 V942 L977	L907-M936 HydrophobicContact CD2-CE 3.55Å; L907-M936 HydrophobicContact CD2-SD 3.6Å; L907-M936 VanDerWaalsContact CD2-SD 3.6Å; I910-M936 HydrophobicContact CB-SD 4.34Å; I910-M936 HydrophobicContact CD1-CE 3.33Å; I910-M936 HydrophobicContact CD1-SD 4.13Å; I910-M936 HydrophobicContact CG2-CE 4.49Å; I910-M936 HydrophobicContact CG2-SD 3.93Å; M932-M936 VanDerWaalsContact O-CB 3.24Å; M932-M936 WeakPolarHBondContact O-CB 3.5Å; M932-M936 WeakPolarHBondContact O-CG 3.5Å; M932-M936 PolarHBondContact O-N 3.42Å; L933-M936 PolarHBondContact O-N 2.93Å; M936-G940 PolarHBondContact O-N 3.46Å; M936-F941 HydrophobicContact CB-CB 4.22Å; M936-F941 HydrophobicContact CB-CD2 4.36Å; M936-F941 HydrophobicContact CG-CB 4.49Å; M936-F941 HydrophobicContact CG-CD2 3.99Å; M936-F941 PolarHBondContact O-N 3.09Å; M936-F941 HydrophobicContact SD-CD2 4.4Å; M936-V942 HydrophobicContact CB-CG1 4.37Å; M936-V942 HydrophobicContact CB-CG2 4.03Å; M936-V942 PolarHBondContact O-N 3.38Å; M936-L977 HydrophobicContact CE-CD1 3.58Å; M936-L977 HydrophobicContact CE-CD2 3.84Å; M936-L977 HydrophobicContact CE-CG 4.35Å
937	E	84.1	Confident	82.9	Confident	43 Å²	43	40.7 Å²	40.7	20%	0.201	21%	0.208	C	C	.	.	H	α-helix	trans	-60.4	-57.9	167.9	-178.7	167.8	-151.1	0	0	107.1	R418 L933 Q934 F935 V939 G940 V942 R944 F951	R418-E937 PolarHBondContact NH1-O 2.85Å; R418-E937 PolarHBondContact NH2-O 3.47Å; L933-E937 PolarHBondContact O-N 3.46Å; Q934-E937 WeakPolarHBondContact O-CB 3.16Å; Q934-E937 PolarHBondContact O-N 3.28Å; F935-E937 VanDerWaalsContact C-N 3.29Å; F935-E937 PolarHBondContact O-N 2.85Å; E937-V939 VanDerWaalsContact C-N 3.32Å; E937-V939 PolarHBondContact O-N 2.93Å; E937-V939 VanDerWaalsContact O-N 3.15Å; E937-G940 WeakPolarHBondContact O-CA 3.5Å; E937-G940 PolarHBondContact O-N 3.5Å; E937-V942 VanDerWaalsContact CA-CG2 3.45Å; E937-V942 HydrophobicContact CB-CG2 3.81Å; E937-V942 VanDerWaalsContact N-CG2 3.29Å; E937-R944 WeakPolarHBondContact OE1-CD 3.29Å; E937-R944 WeakPolarHBondContact OE1-CG 3.4Å; E937-F951 HydrophobicContact CB-CE1 4.47Å
938	G	82.9	Confident	82.1	Confident	11 Å²	11	45.6 Å²	45.6	11%	0.113	23%	0.23	C	C	.	.	H	α-helix	trans	-43.7	-45.6	178.2	0	0	0	0	0	116.4	R418 Q934 F935 G940	R418-G938 WeakPolarHBondContact CD-O 3.16Å; Q934-G938 PolarHBondContact O-N 3.44Å; F935-G938 CarbonylContact O-C 3.49Å; F935-G938 WeakPolarHBondContact O-CA 3.46Å; F935-G938 PolarHBondContact O-N 3.3Å; F935-G938 VanDerWaalsContact O-N 3.08Å; G938-G940 VanDerWaalsContact C-N 3.35Å
939	V	87.1	Confident	81.2	Confident	1 Å²	1	52.2 Å²	52.2	1%	0.006	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.7	8	179	-60.9	0	0	0	0	114.2	W443 F935 E937 F941 R965 G968 L969	W443-V939 WeakPolarHBondContact CH2-O 3.42Å; F935-V939 WeakPolarHBondContact O-CG2 3.4Å; F935-V939 PolarHBondContact O-N 3.32Å; E937-V939 VanDerWaalsContact C-N 3.32Å; E937-V939 PolarHBondContact O-N 2.93Å; E937-V939 VanDerWaalsContact O-N 3.15Å; V939-F941 HydrophobicContact CG2-CD2 3.39Å; V939-F941 HydrophobicContact CG2-CE2 3.51Å; V939-F941 HydrophobicContact CG2-CG 4.2Å; V939-F941 HydrophobicContact CG2-CZ 4.39Å; V939-R965 HydrophobicContact CB-CB 4.42Å; V939-R965 WeakPolarHBondContact O-CD 3.28Å; V939-G968 WeakPolarHBondContact CG1-O 3.47Å; V939-L969 HydrophobicContact CB-CD2 4.48Å; V939-L969 HydrophobicContact CG1-CD2 3.46Å; V939-L969 VanDerWaalsContact CG1-CD2 3.46Å; V939-L969 HydrophobicContact CG1-CG 4.06Å; V939-L969 HydrophobicContact CG2-CD2 4.21Å
940	G	84.9	Confident	80.6	Confident	8 Å²	8	54.1 Å²	54.1	8%	0.082	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	80.6	12.5	169.8	0	0	0	0	0	116.1	M936 E937 G938 V942	M936-G940 PolarHBondContact O-N 3.46Å; E937-G940 WeakPolarHBondContact O-CA 3.5Å; E937-G940 PolarHBondContact O-N 3.5Å; G938-G940 VanDerWaalsContact C-N 3.35Å; G940-V942 VanDerWaalsContact C-N 3.29Å
941	F	85.9	Confident	80.2	Confident	0 Å²	0	51.8 Å²	51.8	0%	0	26%	0.258	C	S	.	.	S	Bend	trans	-70.8	-30.6	172.8	-67.1	-47.6	0	0	0	112.3	M936 V939 E954 I957 F962 R965 I966	M936-F941 HydrophobicContact CB-CB 4.22Å; M936-F941 HydrophobicContact CB-CD2 4.36Å; M936-F941 HydrophobicContact CG-CB 4.49Å; M936-F941 HydrophobicContact CG-CD2 3.99Å; M936-F941 PolarHBondContact O-N 3.09Å; M936-F941 HydrophobicContact SD-CD2 4.4Å; V939-F941 HydrophobicContact CG2-CD2 3.39Å; V939-F941 HydrophobicContact CG2-CE2 3.51Å; V939-F941 HydrophobicContact CG2-CG 4.2Å; V939-F941 HydrophobicContact CG2-CZ 4.39Å; F941-E954 PolarHBondContact O-N 2.96Å; F941-I957 HydrophobicContact CB-CD1 4.31Å; F941-I957 HydrophobicContact CD1-CD1 3.97Å; F941-I957 HydrophobicContact CD1-CG1 4.47Å; F941-I957 HydrophobicContact CD1-CG2 4.48Å; F941-I957 HydrophobicContact CE1-CG2 4.44Å; F941-F962 HydrophobicContact CE1-CB 4.49Å; F941-F962 HydrophobicContact CE1-CD2 4.27Å; F941-F962 HydrophobicContact CE2-CD2 4.02Å; F941-F962 HydrophobicContact CE2-CE2 4.38Å; F941-F962 HydrophobicContact CZ-CB 4.38Å; F941-F962 AromaticContact CZ-CD2 3.61Å; F941-F962 HydrophobicContact CZ-CD2 3.61Å; F941-F962 HydrophobicContact CZ-CE2 4.38Å; F941-F962 HydrophobicContact CZ-CG 4.38Å; F941-R965 HydrophobicContact CE1-CB 3.61Å; F941-R965 HydrophobicContact CE1-CG 3.95Å; F941-R965 HydrophobicContact CE2-CB 4.06Å; F941-R965 HydrophobicContact CZ-CB 3.31Å; F941-R965 HydrophobicContact CZ-CG 4.17Å; F941-I966 HydrophobicContact CE2-CG2 4.08Å; F941-I966 HydrophobicContact CZ-CG2 4.23Å
942	V	84.3	Confident	79.8	Confident	1 Å²	1	54.5 Å²	54.5	1%	0.006	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	150.8	177.6	-55.2	0	0	0	0	110.9	L911 M936 E937 G940 F951 Q952 L953	L911-V942 HydrophobicContact CD1-CG1 4.21Å; L911-V942 HydrophobicContact CD2-CG1 3.81Å; L911-V942 HydrophobicContact CG-CG1 4.22Å; M936-V942 HydrophobicContact CB-CG1 4.37Å; M936-V942 HydrophobicContact CB-CG2 4.03Å; M936-V942 PolarHBondContact O-N 3.38Å; E937-V942 VanDerWaalsContact CA-CG2 3.45Å; E937-V942 HydrophobicContact CB-CG2 3.81Å; E937-V942 VanDerWaalsContact N-CG2 3.29Å; G940-V942 VanDerWaalsContact C-N 3.29Å; V942-F951 HydrophobicContact CB-CB 4.48Å; V942-F951 HydrophobicContact CB-CD1 4.3Å; V942-F951 HydrophobicContact CG2-CD1 3.87Å; V942-F951 HydrophobicContact CG2-CE1 4.41Å; V942-Q952 VanDerWaalsContact CA-O 3.24Å; V942-Q952 WeakPolarHBondContact CA-O 3.21Å; V942-L953 HydrophobicContact CG1-CD1 4.14Å
943	Y	79.6	Confident	79.5	Confident	79 Å²	79	56.3 Å²	56.3	31%	0.31	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	154.3	175	63.9	-88.2	0	0	0	110.9	Q952	Y943-Q952 HydrophobicContact CD1-CB 4.5Å; Y943-Q952 HydrophobicContact CD2-CB 4.35Å; Y943-Q952 HydrophobicContact CE1-CB 3.96Å; Y943-Q952 HydrophobicContact CE2-CB 3.78Å; Y943-Q952 HydrophobicContact CE2-CG 4.43Å; Y943-Q952 VanDerWaalsContact CZ-OE1 3.31Å; Y943-Q952 PolarHBondContact N-O 3.34Å; Y943-Q952 PolarHBondContact O-N 3.27Å; Y943-Q952 PolarHBondContact OH-OE1 2.94Å
944	R	75.2	Confident	79.2	Confident	94 Å²	94	57.1 Å²	57.1	36%	0.355	28%	0.283	S	S	.	.			trans	-117.4	130.9	172	62.6	-163.3	-89.4	160.1	-19.4	108.8	E937 N947	E937-R944 WeakPolarHBondContact OE1-CD 3.29Å; E937-R944 WeakPolarHBondContact OE1-CG 3.4Å; R944-N947 PolarHBondContact NE-OD1 3.08Å; R944-N947 PolarHBondContact NH2-OD1 3.15Å
945	E	67.2	Low	79	Confident	116 Å²	116	62.8 Å²	62.8	54%	0.542	31%	0.307	S	S	.	.	S	Bend	trans	-74.5	-32.9	172.2	-72.6	-179.4	159.8	0	0	111.5	R949	E945-R949 IonicContact OE2-CZ 3.85Å; E945-R949 IonicContact OE2-NE 2.63Å; E945-R949 IonicContact OE2-NH1 3.39Å; E945-R949 PolarHBondContact OE2-NH1 3.25Å
946	S	65.8	Low	78.3	Confident	52 Å²	52	69.4 Å²	69.4	36%	0.364	34%	0.343	S	S	.	.	S	Bend	trans	-155.3	161.7	177.9	62.3	0	0	0	0	110.7	N948 R949	S946-N948 PolarHBondContact O-N 3.45Å; S946-N948 VanDerWaalsContact O-N 3.07Å; S946-R949 PolarHBondContact O-N 3.38Å; S946-R949 VanDerWaalsContact O-N 3.09Å; S946-R949 WeakPolarHBondContact OG-CG 3.17Å
947	N	67.7	Low	78	Confident	127 Å²	127	70.9 Å²	70.9	68%	0.679	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.6	-23.4	-173.9	-68.6	5.2	0	0	0	114.9	R944	R944-N947 PolarHBondContact NE-OD1 3.08Å; R944-N947 PolarHBondContact NH2-OD1 3.15Å
948	N	69.1	Low	77.8	Confident	161 Å²	161	72.8 Å²	72.8	86%	0.861	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.2	1.3	-178.2	-72.5	7.3	0	0	0	113.5	S946	S946-N948 PolarHBondContact O-N 3.45Å; S946-N948 VanDerWaalsContact O-N 3.07Å
949	R	71.4	Confident	77.6	Confident	145 Å²	145	72.5 Å²	72.5	55%	0.547	36%	0.357	S	S	.	.	S	Bend	trans	-95.5	147.2	177.8	-80.6	-173.6	-179.3	-160.6	-0.9	111.1	E945 S946	E945-R949 IonicContact OE2-CZ 3.85Å; E945-R949 IonicContact OE2-NE 2.63Å; E945-R949 IonicContact OE2-NH1 3.39Å; E945-R949 PolarHBondContact OE2-NH1 3.25Å; S946-R949 PolarHBondContact O-N 3.38Å; S946-R949 VanDerWaalsContact O-N 3.09Å; S946-R949 WeakPolarHBondContact OG-CG 3.17Å
950	P	75.6	Confident	77	Confident	98 Å²	98	76.3 Å²	76.3	64%	0.636	38%	0.381	S	S	*	.	P	Polyproline II helix	trans	-63.4	150	175.9	28.1	-34.5	0	0	0	110.6
951	F	78.8	Confident	76.8	Confident	48 Å²	48	78.2 Å²	78.2	21%	0.211	39%	0.387	C	S	.	.	P	Polyproline II helix	trans	-58.4	138.2	173.2	-70.2	-84.1	0	0	0	110.7	L911 W913 L933 E937 V942	L911-F951 HydrophobicContact CD2-CB 3.41Å; L911-F951 VanDerWaalsContact CD2-CB 3.41Å; L911-F951 HydrophobicContact CD2-CG 4.34Å; W913-F951 WeakPolarHBondContact CZ2-O 3.24Å; L933-F951 HydrophobicContact CD1-CD2 4.09Å; L933-F951 HydrophobicContact CD1-CE2 4.4Å; L933-F951 HydrophobicContact CD1-CG 4.22Å; L933-F951 HydrophobicContact CD2-CD2 3.86Å; L933-F951 HydrophobicContact CD2-CE2 3.51Å; L933-F951 HydrophobicContact CD2-CZ 4.1Å; L933-F951 HydrophobicContact CG-CD2 4.21Å; L933-F951 HydrophobicContact CG-CE2 4.01Å; L933-F951 HydrophobicContact CG-CZ 4.22Å; E937-F951 HydrophobicContact CB-CE1 4.47Å; V942-F951 HydrophobicContact CB-CB 4.48Å; V942-F951 HydrophobicContact CB-CD1 4.3Å; V942-F951 HydrophobicContact CG2-CD1 3.87Å; V942-F951 HydrophobicContact CG2-CE1 4.41Å
952	Q	79.8	Confident	76.8	Confident	71 Å²	71	78.2 Å²	78.2	33%	0.332	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	145.3	172.5	-68.3	-177.1	7.6	0	0	110.2	V942 Y943	V942-Q952 VanDerWaalsContact CA-O 3.24Å; V942-Q952 WeakPolarHBondContact CA-O 3.21Å; Y943-Q952 HydrophobicContact CD1-CB 4.5Å; Y943-Q952 HydrophobicContact CD2-CB 4.35Å; Y943-Q952 HydrophobicContact CE1-CB 3.96Å; Y943-Q952 HydrophobicContact CE2-CB 3.78Å; Y943-Q952 HydrophobicContact CE2-CG 4.43Å; Y943-Q952 VanDerWaalsContact CZ-OE1 3.31Å; Y943-Q952 PolarHBondContact N-O 3.34Å; Y943-Q952 PolarHBondContact O-N 3.27Å; Y943-Q952 PolarHBondContact OH-OE1 2.94Å
953	L	83.9	Confident	76.5	Confident	39 Å²	39	78.7 Å²	78.7	20%	0.204	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	139.4	176.4	-162.8	76.2	0	0	0	110.3	L907 L911 W913 V942 I957	L907-L953 HydrophobicContact CB-CD1 3.94Å; L907-L953 HydrophobicContact CD1-CD1 4.18Å; L907-L953 HydrophobicContact CD1-CD2 4.31Å; L907-L953 HydrophobicContact CD2-CD1 4.42Å; L907-L953 HydrophobicContact CG-CD1 4.4Å; L911-L953 HydrophobicContact CD1-CB 4.22Å; L911-L953 HydrophobicContact CD1-CD1 3.91Å; W913-L953 HydrophobicContact CH2-CB 4.24Å; W913-L953 HydrophobicContact CZ3-CB 4.42Å; V942-L953 HydrophobicContact CG1-CD1 4.14Å; L953-I957 HydrophobicContact CD1-CD1 3.75Å; L953-I957 HydrophobicContact CD2-CD1 4.06Å; L953-I957 HydrophobicContact CG-CD1 3.65Å
954	E	81.1	Confident	76.5	Confident	50 Å²	50	75.7 Å²	75.7	23%	0.234	38%	0.379	C	S	.	.	P	Polyproline II helix	trans	-59.7	138.4	170.9	-158.9	-172.7	178.2	0	0	110.9	F941 I957 K961	F941-E954 PolarHBondContact O-N 2.96Å; E954-I957 HydrophobicContact CB-CD1 4.1Å; E954-I957 HydrophobicContact CB-CG1 4.13Å; E954-I957 WeakPolarHBondContact O-CG1 3.46Å; E954-K961 IonicContact OE1-NZ 2.67Å; E954-K961 PolarHBondContact OE1-NZ 3.43Å; E954-K961 WeakPolarHBondContact OE2-CE 3.11Å; E954-K961 IonicContact OE2-NZ 3.61Å; E954-K961 PolarHBondContact OE2-NZ 3.04Å
955	K	78.1	Confident	77	Confident	167 Å²	167	72 Å²	72	73%	0.726	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.4	148.3	174.8	-62.8	-175.8	-179.9	-176.6	0	109.9	I957	K955-I957 PolarHBondContact O-N 2.99Å
956	D	73.9	Confident	78	Confident	146 Å²	146	66.4 Å²	66.4	78%	0.781	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.8	33.5	174.6	-49.2	-43.6	0	0	0	116.1	N958	D956-N958 PolarHBondContact O-N 3.43Å; D956-N958 VanDerWaalsContact O-N 3.15Å
957	I	80.6	Confident	79	Confident	31 Å²	31	64.4 Å²	64.4	16%	0.159	32%	0.324	C	S	.	.			trans	-67.5	113.4	169.5	-59.4	172.9	0	0	0	109.4	L903 L907 F941 L953 E954 K955	L903-I957 HydrophobicContact CD2-CG2 4.19Å; L907-I957 HydrophobicContact CD1-CB 4.47Å; L907-I957 HydrophobicContact CD1-CD1 3.96Å; L907-I957 HydrophobicContact CD1-CG2 3.99Å; F941-I957 HydrophobicContact CB-CD1 4.31Å; F941-I957 HydrophobicContact CD1-CD1 3.97Å; F941-I957 HydrophobicContact CD1-CG1 4.47Å; F941-I957 HydrophobicContact CD1-CG2 4.48Å; F941-I957 HydrophobicContact CE1-CG2 4.44Å; L953-I957 HydrophobicContact CD1-CD1 3.75Å; L953-I957 HydrophobicContact CD2-CD1 4.06Å; L953-I957 HydrophobicContact CG-CD1 3.65Å; E954-I957 HydrophobicContact CB-CD1 4.1Å; E954-I957 HydrophobicContact CB-CG1 4.13Å; E954-I957 WeakPolarHBondContact O-CG1 3.46Å; K955-I957 PolarHBondContact O-N 2.99Å
958	N	80.3	Confident	80	Confident	83 Å²	83	58.4 Å²	58.4	44%	0.444	29%	0.292	S	S	.	.			trans	-108.3	169.2	171.1	68.4	35.8	0	0	0	111.1	D956 T960 K961 F962	D956-N958 PolarHBondContact O-N 3.43Å; D956-N958 VanDerWaalsContact O-N 3.15Å; N958-T960 VanDerWaalsContact C-N 3.25Å; N958-T960 PolarHBondContact O-N 3.33Å; N958-T960 WeakPolarHBondContact OD1-CB 3.37Å; N958-T960 PolarHBondContact OD1-N 2.82Å; N958-T960 VanDerWaalsContact OD1-N 3.1Å; N958-K961 PolarHBondContact O-N 3.41Å; N958-K961 VanDerWaalsContact O-N 3.17Å; N958-K961 WeakPolarHBondContact OD1-CB 3.48Å; N958-K961 PolarHBondContact OD1-N 2.99Å; N958-F962 PolarHBondContact O-N 3.13Å
959	M	78.4	Confident	81	Confident	5 Å²	5	50.8 Å²	50.8	3%	0.025	25%	0.251	C	S	.	.	H	α-helix	trans	-56.2	-39.5	-179.2	-172.6	55.4	62.3	0	0	112.6	L894 D895 G899 L903 F962 L963 F981	L894-M959 HydrophobicContact CB-CE 4.32Å; L894-M959 HydrophobicContact CB-CG 4.14Å; L894-M959 HydrophobicContact CB-SD 4.12Å; D895-M959 HydrophobicContact CB-CB 4.5Å; G899-M959 WeakPolarHBondContact O-CE 3.31Å; L903-M959 HydrophobicContact CB-CE 4.1Å; L903-M959 HydrophobicContact CD2-CE 4.19Å; M959-F962 PolarHBondContact O-N 3.11Å; M959-F962 HydrophobicContact SD-CD1 4.16Å; M959-L963 HydrophobicContact CG-CD1 4.01Å; M959-L963 HydrophobicContact CG-CG 4.46Å; M959-L963 WeakPolarHBondContact O-CB 3.47Å; M959-L963 VanDerWaalsContact O-CG 3.27Å; M959-L963 WeakPolarHBondContact O-CG 3.27Å; M959-L963 PolarHBondContact O-N 3.26Å; M959-L963 HydrophobicContact SD-CD1 4.25Å; M959-L963 HydrophobicContact SD-CG 4.21Å; M959-F981 HydrophobicContact CE-CE1 4.38Å; M959-F981 HydrophobicContact CE-CE2 3.89Å; M959-F981 HydrophobicContact CE-CZ 3.45Å; M959-F981 VanDerWaalsContact CE-CZ 3.45Å; M959-F981 HydrophobicContact SD-CE1 4.47Å; M959-F981 HydrophobicContact SD-CZ 4.06Å
960	T	74.7	Confident	81.9	Confident	81 Å²	81	44 Å²	44	50%	0.497	23%	0.226	S	C	.	.	H	α-helix	trans	-67	-41.7	-179.8	-58.9	0	0	0	0	111.5	N958 N964	N958-T960 VanDerWaalsContact C-N 3.25Å; N958-T960 PolarHBondContact O-N 3.33Å; N958-T960 WeakPolarHBondContact OD1-CB 3.37Å; N958-T960 PolarHBondContact OD1-N 2.82Å; N958-T960 VanDerWaalsContact OD1-N 3.1Å; T960-N964 VanDerWaalsContact CG2-ND2 3.32Å; T960-N964 WeakPolarHBondContact CG2-ND2 3.42Å; T960-N964 WeakPolarHBondContact O-CB 3.06Å; T960-N964 VanDerWaalsContact O-CG 3.24Å; T960-N964 PolarHBondContact O-N 3.13Å; T960-N964 PolarHBondContact O-ND2 3.48Å
961	K	81.6	Confident	82.6	Confident	48 Å²	48	39.9 Å²	39.9	21%	0.209	20%	0.199	C	C	.	.	H	α-helix	trans	-65.9	-42.9	176.4	-169.1	177.7	-173.7	-178.8	0	110.7	E954 N958 N964 R965	E954-K961 IonicContact OE1-NZ 2.67Å; E954-K961 PolarHBondContact OE1-NZ 3.43Å; E954-K961 WeakPolarHBondContact OE2-CE 3.11Å; E954-K961 IonicContact OE2-NZ 3.61Å; E954-K961 PolarHBondContact OE2-NZ 3.04Å; N958-K961 PolarHBondContact O-N 3.41Å; N958-K961 VanDerWaalsContact O-N 3.17Å; N958-K961 WeakPolarHBondContact OD1-CB 3.48Å; N958-K961 PolarHBondContact OD1-N 2.99Å; K961-N964 PolarHBondContact O-N 2.96Å; K961-R965 HydrophobicContact CG-CG 4.32Å; K961-R965 VanDerWaalsContact O-CB 3.32Å; K961-R965 WeakPolarHBondContact O-CB 3.3Å; K961-R965 WeakPolarHBondContact O-CG 3.3Å; K961-R965 PolarHBondContact O-N 3.29Å
962	F	85.1	Confident	83	Confident	0 Å²	0	41.4 Å²	41.4	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-55.7	-57.3	174.4	173.8	-110.6	0	0	0	111.4	L903 F941 N958 M959 N964 R965 I966 L977 F978 F981	L903-F962 HydrophobicContact CD1-CB 3.89Å; L903-F962 HydrophobicContact CD1-CD1 3.78Å; L903-F962 HydrophobicContact CD1-CD2 3.49Å; L903-F962 VanDerWaalsContact CD1-CD2 3.49Å; L903-F962 HydrophobicContact CD1-CE1 4.15Å; L903-F962 HydrophobicContact CD1-CE2 3.88Å; L903-F962 HydrophobicContact CD1-CG 3.43Å; L903-F962 VanDerWaalsContact CD1-CG 3.43Å; L903-F962 HydrophobicContact CD1-CZ 4.19Å; L903-F962 HydrophobicContact CD2-CB 3.9Å; L903-F962 HydrophobicContact CD2-CG 4.32Å; F941-F962 HydrophobicContact CE1-CB 4.49Å; F941-F962 HydrophobicContact CE1-CD2 4.27Å; F941-F962 HydrophobicContact CE2-CD2 4.02Å; F941-F962 HydrophobicContact CE2-CE2 4.38Å; F941-F962 HydrophobicContact CZ-CB 4.38Å; F941-F962 AromaticContact CZ-CD2 3.61Å; F941-F962 HydrophobicContact CZ-CD2 3.61Å; F941-F962 HydrophobicContact CZ-CE2 4.38Å; F941-F962 HydrophobicContact CZ-CG 4.38Å; N958-F962 PolarHBondContact O-N 3.13Å; M959-F962 PolarHBondContact O-N 3.11Å; M959-F962 HydrophobicContact SD-CD1 4.16Å; F962-N964 VanDerWaalsContact C-N 3.32Å; F962-N964 PolarHBondContact O-N 3.11Å; F962-R965 PolarHBondContact O-N 3.13Å; F962-R965 VanDerWaalsContact O-N 3.11Å; F962-I966 HydrophobicContact CD2-CG2 3.89Å; F962-I966 HydrophobicContact CE1-CG2 4.43Å; F962-I966 HydrophobicContact CE2-CG2 3.55Å; F962-I966 HydrophobicContact CG-CG2 4.47Å; F962-I966 HydrophobicContact CZ-CG2 3.85Å; F962-I966 WeakPolarHBondContact O-CG2 3.46Å; F962-I966 PolarHBondContact O-N 3.47Å; F962-L977 HydrophobicContact CE2-CD2 4.27Å; F962-L977 HydrophobicContact CZ-CG 4.49Å; F962-F978 HydrophobicContact CE1-CD2 4.2Å; F962-F978 HydrophobicContact CE1-CE2 4.49Å; F962-F981 HydrophobicContact CE1-CB 4.5Å; F962-F981 HydrophobicContact CE1-CD1 4.19Å; F962-F981 HydrophobicContact CE1-CD2 4.49Å; F962-F981 HydrophobicContact CE1-CG 4.11Å; F962-F981 HydrophobicContact CZ-CB 4.32Å; F962-F981 HydrophobicContact CZ-CG 4.38Å
963	L	79.3	Confident	83.5	Confident	11 Å²	11	38 Å²	38	6%	0.058	20%	0.2	C	C	.	.	H	α-helix	trans	-59.8	-39	-178.6	-67.4	172.8	0	0	0	113.1	W826 M959 I966 F978	W826-L963 HydrophobicContact CE3-CD1 4.31Å; W826-L963 HydrophobicContact CH2-CB 4.45Å; W826-L963 HydrophobicContact CZ3-CB 4.44Å; W826-L963 HydrophobicContact CZ3-CD1 3.92Å; M959-L963 HydrophobicContact CG-CD1 4.01Å; M959-L963 HydrophobicContact CG-CG 4.46Å; M959-L963 WeakPolarHBondContact O-CB 3.47Å; M959-L963 VanDerWaalsContact O-CG 3.27Å; M959-L963 WeakPolarHBondContact O-CG 3.27Å; M959-L963 PolarHBondContact O-N 3.26Å; M959-L963 HydrophobicContact SD-CD1 4.25Å; M959-L963 HydrophobicContact SD-CG 4.21Å; L963-I966 HydrophobicContact CD2-CD1 4.33Å; L963-I966 VanDerWaalsContact O-CG1 3.27Å; L963-I966 WeakPolarHBondContact O-CG1 3.43Å; L963-F978 HydrophobicContact CD2-CD2 4.44Å; L963-F978 HydrophobicContact CD2-CE2 3.64Å; L963-F978 HydrophobicContact CD2-CZ 4.28Å
964	N	79.4	Confident	83.7	Confident	17 Å²	17	36.2 Å²	36.2	9%	0.091	19%	0.19	C	C	.	.	H	α-helix	trans	-72.9	-27.1	178.5	-74.2	-45.3	0	0	0	113.5	Q447 T960 K961 F962	Q447-N964 HydrophobicContact CG-CB 4.06Å; Q447-N964 PolarHBondContact NE2-ND2 2.96Å; Q447-N964 PolarHBondContact NE2-OD1 3.19Å; T960-N964 VanDerWaalsContact CG2-ND2 3.32Å; T960-N964 WeakPolarHBondContact CG2-ND2 3.42Å; T960-N964 WeakPolarHBondContact O-CB 3.06Å; T960-N964 VanDerWaalsContact O-CG 3.24Å; T960-N964 PolarHBondContact O-N 3.13Å; T960-N964 PolarHBondContact O-ND2 3.48Å; K961-N964 PolarHBondContact O-N 2.96Å; F962-N964 VanDerWaalsContact C-N 3.32Å; F962-N964 PolarHBondContact O-N 3.11Å
965	R	85.8	Confident	84	Confident	15 Å²	15	36.4 Å²	36.4	6%	0.057	19%	0.193	C	C	.	.	H	α-helix	trans	-86.1	-35.5	-179.1	-73.4	-70.4	151.1	-118.9	-23.7	112.7	W443 H446 V939 F941 K961 F962 L967 G968	W443-R965 VanDerWaalsContact C-NH2 3.26Å; W443-R965 VanDerWaalsContact CB-CZ 3.47Å; W443-R965 PolarHBondContact O-NH1 3.07Å; W443-R965 VanDerWaalsContact O-NH1 3.08Å; W443-R965 PolarHBondContact O-NH2 3.16Å; H446-R965 PolarHBondContact ND1-NH1 3.06Å; V939-R965 HydrophobicContact CB-CB 4.42Å; V939-R965 WeakPolarHBondContact O-CD 3.28Å; F941-R965 HydrophobicContact CE1-CB 3.61Å; F941-R965 HydrophobicContact CE1-CG 3.95Å; F941-R965 HydrophobicContact CE2-CB 4.06Å; F941-R965 HydrophobicContact CZ-CB 3.31Å; F941-R965 HydrophobicContact CZ-CG 4.17Å; K961-R965 HydrophobicContact CG-CG 4.32Å; K961-R965 VanDerWaalsContact O-CB 3.32Å; K961-R965 WeakPolarHBondContact O-CB 3.3Å; K961-R965 WeakPolarHBondContact O-CG 3.3Å; K961-R965 PolarHBondContact O-N 3.29Å; F962-R965 PolarHBondContact O-N 3.13Å; F962-R965 VanDerWaalsContact O-N 3.11Å; R965-L967 PolarHBondContact O-N 3Å; R965-L967 VanDerWaalsContact O-N 3.1Å; R965-G968 PolarHBondContact O-N 3.09Å
966	I	87.5	Confident	84.5	Confident	0 Å²	0	29 Å²	29	0%	0	16%	0.163	C	C	.	.	G	3₁₀ helix	trans	-62.6	-17.7	177.1	64.3	165.8	0	0	0	113.2	F941 F962 L963 G968 L969 Q974 L977 F978	F941-I966 HydrophobicContact CE2-CG2 4.08Å; F941-I966 HydrophobicContact CZ-CG2 4.23Å; F962-I966 HydrophobicContact CD2-CG2 3.89Å; F962-I966 HydrophobicContact CE1-CG2 4.43Å; F962-I966 HydrophobicContact CE2-CG2 3.55Å; F962-I966 HydrophobicContact CG-CG2 4.47Å; F962-I966 HydrophobicContact CZ-CG2 3.85Å; F962-I966 WeakPolarHBondContact O-CG2 3.46Å; F962-I966 PolarHBondContact O-N 3.47Å; L963-I966 HydrophobicContact CD2-CD1 4.33Å; L963-I966 VanDerWaalsContact O-CG1 3.27Å; L963-I966 WeakPolarHBondContact O-CG1 3.43Å; I966-G968 PolarHBondContact O-N 3.49Å; I966-L969 HydrophobicContact CB-CD1 4.25Å; I966-L969 HydrophobicContact CG2-CD1 4.35Å; I966-L969 WeakPolarHBondContact O-CB 3.36Å; I966-L969 PolarHBondContact O-N 3.33Å; I966-Q974 HydrophobicContact CD1-CG 4.5Å; I966-Q974 WeakPolarHBondContact O-CG 3.41Å; I966-L977 HydrophobicContact CG2-CD2 3.88Å; I966-F978 HydrophobicContact CD1-CD2 3.97Å; I966-F978 HydrophobicContact CD1-CG 4.49Å
967	L	86.2	Confident	85.2	Confident	9 Å²	9	22 Å²	22	5%	0.047	13%	0.126	C	C	.	.	G	3₁₀ helix	trans	-61.1	-24.4	171.2	-59	-179.6	0	0	0	111.7	Y407 F450 R965 L969	Y407-L967 PolarHBondContact OH-O 3.36Å; F450-L967 HydrophobicContact CB-CB 3.77Å; F450-L967 WeakPolarHBondContact CD1-O 3.32Å; F450-L967 HydrophobicContact CG-CB 4.34Å; F450-L967 WeakPolarHBondContact CG-O 3.42Å; R965-L967 PolarHBondContact O-N 3Å; R965-L967 VanDerWaalsContact O-N 3.1Å; L967-L969 PolarHBondContact O-N 3.07Å
968	G	89.1	Confident	85.5	Confident	2 Å²	2	20.7 Å²	20.7	2%	0.021	12%	0.119	C	C	.	.	G	3₁₀ helix	trans	-85.4	20.8	176.9	0	0	0	0	0	114.9	V411 H446 V939 R965 I966	V411-G968 WeakPolarHBondContact CG1-O 3.2Å; H446-G968 VanDerWaalsContact CE1-CA 3.48Å; H446-G968 WeakPolarHBondContact CE1-CA 3.45Å; V939-G968 WeakPolarHBondContact CG1-O 3.47Å; R965-G968 PolarHBondContact O-N 3.09Å; I966-G968 PolarHBondContact O-N 3.49Å
969	L	90.7	Very high	85.7	Confident	0 Å²	0	20.1 Å²	20.1	0%	0	11%	0.114	C	C	.	.	S	Bend	trans	-107.6	153.6	177.7	-63	-177	0	0	0	110.6	Y407 F935 V939 I966 L967 Q974 L977	Y407-L969 WeakPolarHBondContact CE1-O 3.3Å; F935-L969 HydrophobicContact CB-CD2 3.62Å; F935-L969 HydrophobicContact CD1-CD2 4.27Å; F935-L969 HydrophobicContact CG-CD2 4.1Å; V939-L969 HydrophobicContact CB-CD2 4.48Å; V939-L969 HydrophobicContact CG1-CD2 3.46Å; V939-L969 VanDerWaalsContact CG1-CD2 3.46Å; V939-L969 HydrophobicContact CG1-CG 4.06Å; V939-L969 HydrophobicContact CG2-CD2 4.21Å; I966-L969 HydrophobicContact CB-CD1 4.25Å; I966-L969 HydrophobicContact CG2-CD1 4.35Å; I966-L969 WeakPolarHBondContact O-CB 3.36Å; I966-L969 PolarHBondContact O-N 3.33Å; L967-L969 PolarHBondContact O-N 3.07Å; L969-Q974 HydrophobicContact CB-CB 4.11Å; L969-L977 HydrophobicContact CD1-CD2 3.62Å
970	P	91	Very high	86.3	Confident	3 Å²	3	19.9 Å²	19.9	2%	0.019	11%	0.112	C	C	.	.			trans	-55.4	148.4	171.7	-23.4	35.1	0	0	0	110.7	D408 V411 F701 F935 S972 A973 Q974	D408-P970 VanDerWaalsContact OD1-CA 3.28Å; D408-P970 WeakPolarHBondContact OD1-CA 3.41Å; V411-P970 HydrophobicContact CG1-CG 4.09Å; F701-P970 HydrophobicContact CD1-CG 4.12Å; F701-P970 HydrophobicContact CE1-CB 4.44Å; F701-P970 HydrophobicContact CE1-CG 3.5Å; F701-P970 HydrophobicContact CE2-CB 4.4Å; F701-P970 HydrophobicContact CE2-CG 4.26Å; F701-P970 HydrophobicContact CZ-CB 4.05Å; F701-P970 HydrophobicContact CZ-CG 3.58Å; F935-P970 HydrophobicContact CD1-CG 4.34Å; F935-P970 HydrophobicContact CE1-CG 3.57Å; F935-P970 HydrophobicContact CZ-CG 3.77Å; P970-S972 VanDerWaalsContact C-N 3.28Å; P970-S972 PolarHBondContact O-N 3.03Å; P970-A973 HydrophobicContact CB-CB 4.25Å; P970-A973 HydrophobicContact CG-CB 4.39Å; P970-A973 PolarHBondContact O-N 2.92Å; P970-Q974 WeakPolarHBondContact O-CB 3.13Å; P970-Q974 PolarHBondContact O-N 2.98Å
971	V	89.3	Confident	87	Confident	12 Å²	12	16 Å²	16	7%	0.073	9%	0.089	C	C	.	.	H	α-helix	trans	-55.3	-43.9	-171	176.3	0	0	0	0	112	L399 I404 Y407 D408 L856 N975	L399-V971 HydrophobicContact CD1-CG1 4.11Å; I404-V971 HydrophobicContact CG2-CB 4.37Å; I404-V971 HydrophobicContact CG2-CG2 4.23Å; Y407-V971 HydrophobicContact CD1-CG2 3.68Å; Y407-V971 HydrophobicContact CE1-CG2 4.26Å; Y407-V971 HydrophobicContact CG-CG2 4.02Å; D408-V971 PolarHBondContact OD1-N 3.38Å; D408-V971 VanDerWaalsContact OD1-N 3.09Å; L856-V971 HydrophobicContact CD2-CB 4.42Å; L856-V971 HydrophobicContact CD2-CG1 4.02Å; L856-V971 HydrophobicContact CD2-CG2 3.84Å; V971-N975 WeakPolarHBondContact O-CB 3.44Å; V971-N975 VanDerWaalsContact O-CG 3.25Å; V971-N975 PolarHBondContact O-N 2.79Å; V971-N975 VanDerWaalsContact O-N 3.08Å
972	S	87.8	Confident	87.1	Confident	80 Å²	80	14.4 Å²	14.4	56%	0.559	8%	0.084	S	C	*	.	H	α-helix	trans	-63.4	-46	178	58.2	0	0	0	0	112.6	P970 N975 A976	P970-S972 VanDerWaalsContact C-N 3.28Å; P970-S972 PolarHBondContact O-N 3.03Å; S972-N975 PolarHBondContact O-N 3.08Å; S972-A976 WeakPolarHBondContact O-CB 3.43Å; S972-A976 PolarHBondContact O-N 3.29Å
973	A	89.1	Confident	87.2	Confident	0 Å²	0	16.8 Å²	16.8	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-66.1	-42.1	178.8	0	0	0	0	0	112.1	M932 F935 P970 N975 A976 L977	M932-A973 HydrophobicContact CE-CB 3.79Å; F935-A973 HydrophobicContact CD2-CB 3.79Å; F935-A973 HydrophobicContact CE2-CB 3.59Å; F935-A973 HydrophobicContact CZ-CB 4.18Å; P970-A973 HydrophobicContact CB-CB 4.25Å; P970-A973 HydrophobicContact CG-CB 4.39Å; P970-A973 PolarHBondContact O-N 2.92Å; A973-N975 VanDerWaalsContact C-N 3.32Å; A973-N975 PolarHBondContact O-N 3.5Å; A973-A976 PolarHBondContact O-N 3.45Å; A973-L977 VanDerWaalsContact O-CB 3.3Å; A973-L977 WeakPolarHBondContact O-CB 3.46Å; A973-L977 PolarHBondContact O-N 3.25Å
974	Q	88.1	Confident	87.7	Confident	0 Å²	0	16.3 Å²	16.3	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-57.6	-47.4	174.9	-174.4	-174.7	18.9	0	0	110.8	A857 I966 L969 P970 F978	A857-Q974 HydrophobicContact CB-CG 4.46Å; I966-Q974 HydrophobicContact CD1-CG 4.5Å; I966-Q974 WeakPolarHBondContact O-CG 3.41Å; L969-Q974 HydrophobicContact CB-CB 4.11Å; P970-Q974 WeakPolarHBondContact O-CB 3.13Å; P970-Q974 PolarHBondContact O-N 2.98Å; Q974-F978 WeakPolarHBondContact O-CB 3.38Å; Q974-F978 PolarHBondContact O-N 2.69Å; Q974-F978 VanDerWaalsContact O-N 3.15Å
975	N	87.2	Confident	87.9	Confident	54 Å²	54	16.7 Å²	16.7	29%	0.289	10%	0.096	S	C	.	.	H	α-helix	trans	-64.4	-44.8	-179.8	-72.2	-6.7	0	0	0	112	E855 A857 V971 S972 A973 Q979	E855-N975 PolarHBondContact O-ND2 3.49Å; E855-N975 VanDerWaalsContact O-ND2 3.14Å; E855-N975 PolarHBondContact O-OD1 3.08Å; A857-N975 WeakPolarHBondContact CA-OD1 3.42Å; A857-N975 HydrophobicContact CB-CB 4.28Å; A857-N975 WeakPolarHBondContact CB-OD1 3.27Å; A857-N975 PolarHBondContact N-OD1 2.94Å; V971-N975 WeakPolarHBondContact O-CB 3.44Å; V971-N975 VanDerWaalsContact O-CG 3.25Å; V971-N975 PolarHBondContact O-N 2.79Å; V971-N975 VanDerWaalsContact O-N 3.08Å; S972-N975 PolarHBondContact O-N 3.08Å; A973-N975 VanDerWaalsContact C-N 3.32Å; A973-N975 PolarHBondContact O-N 3.5Å; N975-Q979 WeakPolarHBondContact O-CB 3.47Å; N975-Q979 PolarHBondContact O-N 3.38Å
976	A	89.5	Confident	87.8	Confident	11 Å²	11	22.4 Å²	22.4	9%	0.091	12%	0.121	C	C	.	.	H	α-helix	trans	-66.8	-46.3	178.7	0	0	0	0	0	113.1	P921 Y924 F928 S972 A973 F978 Q979 Y980	P921-A976 HydrophobicContact CG-CB 4.31Å; P921-A976 WeakPolarHBondContact CG-O 3.33Å; Y924-A976 HydrophobicContact CD2-CB 3.33Å; Y924-A976 HydrophobicContact CE2-CB 3.86Å; Y924-A976 HydrophobicContact CG-CB 4.21Å; F928-A976 HydrophobicContact CD2-CB 4.35Å; F928-A976 HydrophobicContact CE2-CB 3.99Å; S972-A976 WeakPolarHBondContact O-CB 3.43Å; S972-A976 PolarHBondContact O-N 3.29Å; A973-A976 PolarHBondContact O-N 3.45Å; A976-F978 VanDerWaalsContact C-N 3.28Å; A976-F978 PolarHBondContact O-N 3.03Å; A976-Q979 WeakPolarHBondContact O-CB 3.12Å; A976-Q979 PolarHBondContact O-N 2.88Å; A976-Y980 PolarHBondContact O-N 2.83Å
977	L	89.6	Confident	87.8	Confident	1 Å²	1	25.3 Å²	25.3	1%	0.005	14%	0.135	C	C	.	.	H	α-helix	trans	-59.2	-43.9	179.3	178.2	56.1	0	0	0	111.4	T906 I910 M932 M936 F962 I966 L969 A973 Y980 F981	T906-L977 HydrophobicContact CG2-CD1 4.4Å; I910-L977 HydrophobicContact CD1-CD1 3.49Å; I910-L977 VanDerWaalsContact CD1-CD1 3.49Å; M932-L977 HydrophobicContact CG-CD1 4.31Å; M932-L977 HydrophobicContact SD-CB 3.73Å; M932-L977 HydrophobicContact SD-CD1 4.24Å; M932-L977 HydrophobicContact SD-CD2 4.44Å; M932-L977 HydrophobicContact SD-CG 4.34Å; M936-L977 HydrophobicContact CE-CD1 3.58Å; M936-L977 HydrophobicContact CE-CD2 3.84Å; M936-L977 HydrophobicContact CE-CG 4.35Å; F962-L977 HydrophobicContact CE2-CD2 4.27Å; F962-L977 HydrophobicContact CZ-CG 4.49Å; I966-L977 HydrophobicContact CG2-CD2 3.88Å; L969-L977 HydrophobicContact CD1-CD2 3.62Å; A973-L977 VanDerWaalsContact O-CB 3.3Å; A973-L977 WeakPolarHBondContact O-CB 3.46Å; A973-L977 PolarHBondContact O-N 3.25Å; L977-Y980 PolarHBondContact O-N 3.11Å; L977-F981 PolarHBondContact O-N 3.37Å
978	F	85.7	Confident	87.9	Confident	2 Å²	2	26 Å²	26	1%	0.009	14%	0.139	C	C	.	.	H	α-helix	trans	-73.7	-34.5	-177.6	-167.9	-114	0	0	0	112.7	A857 R861 L894 F962 L963 I966 Q974 A976 Y980 F981 A982	A857-F978 HydrophobicContact CB-CB 3.67Å; A857-F978 HydrophobicContact CB-CD1 3.66Å; A857-F978 HydrophobicContact CB-CG 3.98Å; A857-F978 WeakPolarHBondContact O-CD1 3.1Å; A857-F978 WeakPolarHBondContact O-CE1 3.39Å; R861-F978 HydrophobicContact CB-CE1 3.51Å; R861-F978 HydrophobicContact CB-CZ 4.09Å; R861-F978 HydrophobicContact CG-CD1 4.05Å; R861-F978 HydrophobicContact CG-CE1 3.44Å; R861-F978 VanDerWaalsContact CG-CE1 3.44Å; R861-F978 HydrophobicContact CG-CZ 4.42Å; L894-F978 HydrophobicContact CD1-CZ 4.3Å; F962-F978 HydrophobicContact CE1-CD2 4.2Å; F962-F978 HydrophobicContact CE1-CE2 4.49Å; L963-F978 HydrophobicContact CD2-CD2 4.44Å; L963-F978 HydrophobicContact CD2-CE2 3.64Å; L963-F978 HydrophobicContact CD2-CZ 4.28Å; I966-F978 HydrophobicContact CD1-CD2 3.97Å; I966-F978 HydrophobicContact CD1-CG 4.49Å; Q974-F978 WeakPolarHBondContact O-CB 3.38Å; Q974-F978 PolarHBondContact O-N 2.69Å; Q974-F978 VanDerWaalsContact O-N 3.15Å; A976-F978 VanDerWaalsContact C-N 3.28Å; A976-F978 PolarHBondContact O-N 3.03Å; F978-Y980 VanDerWaalsContact C-N 3.34Å; F978-F981 AromaticContact CD2-CD1 4Å; F978-F981 HydrophobicContact CD2-CD1 4Å; F978-F981 AromaticContact CE2-CD1 3.89Å; F978-F981 HydrophobicContact CE2-CD1 3.89Å; F978-F981 HydrophobicContact CE2-CE1 4.21Å; F978-F981 PolarHBondContact O-N 3.47Å; F978-A982 WeakPolarHBondContact O-CB 3.21Å; F978-A982 PolarHBondContact O-N 3.34Å
979	Q	85.5	Confident	87.3	Confident	72 Å²	72	26.9 Å²	26.9	34%	0.336	15%	0.145	S	C	.	.	H	α-helix	trans	-56.7	-49.8	169.1	179.9	63.6	49.4	0	0	110.6	P921 N975 A976 F981 A982 D983	P921-Q979 HydrophobicContact CB-CG 4.38Å; P921-Q979 HydrophobicContact CG-CB 4.31Å; P921-Q979 HydrophobicContact CG-CG 4.28Å; N975-Q979 WeakPolarHBondContact O-CB 3.47Å; N975-Q979 PolarHBondContact O-N 3.38Å; A976-Q979 WeakPolarHBondContact O-CB 3.12Å; A976-Q979 PolarHBondContact O-N 2.88Å; Q979-F981 PolarHBondContact O-N 3.08Å; Q979-A982 PolarHBondContact O-N 2.93Å; Q979-A982 VanDerWaalsContact O-N 3.13Å; Q979-D983 VanDerWaalsContact NE2-CG 3.32Å; Q979-D983 PolarHBondContact NE2-OD1 3.48Å; Q979-D983 VanDerWaalsContact NE2-OD1 3.15Å; Q979-D983 PolarHBondContact NE2-OD2 2.86Å; Q979-D983 PolarHBondContact O-N 2.88Å
980	Y	90.9	Very high	86.8	Confident	0 Å²	0	29.3 Å²	29.3	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-60.6	-44.2	178	-178.2	-106.6	0	0	0	112.9	T906 S909 I910 P916 V918 F928 F929 A976 L977 F978 A982 D983 T984	T906-Y980 HydrophobicContact CG2-CD1 3.73Å; T906-Y980 HydrophobicContact CG2-CE1 3.95Å; S909-Y980 WeakPolarHBondContact CB-OH 3.36Å; I910-Y980 HydrophobicContact CD1-CD1 4.47Å; I910-Y980 HydrophobicContact CG1-CE1 4.4Å; P916-Y980 WeakPolarHBondContact CB-OH 3.27Å; V918-Y980 HydrophobicContact CG2-CD2 3.96Å; V918-Y980 HydrophobicContact CG2-CE2 3.63Å; V918-Y980 WeakPolarHBondContact O-CE2 3.43Å; F928-Y980 AromaticContact CE1-CD1 3.79Å; F928-Y980 HydrophobicContact CE1-CD1 3.79Å; F928-Y980 AromaticContact CE1-CD2 3.94Å; F928-Y980 HydrophobicContact CE1-CD2 3.94Å; F928-Y980 HydrophobicContact CE1-CE1 4.26Å; F928-Y980 HydrophobicContact CE1-CE2 4.38Å; F928-Y980 AromaticContact CE1-CG 3.63Å; F928-Y980 HydrophobicContact CE1-CG 3.63Å; F928-Y980 VanDerWaalsContact CZ-CB 3.49Å; F928-Y980 AromaticContact CZ-CD1 3.95Å; F928-Y980 HydrophobicContact CZ-CD1 3.95Å; F928-Y980 HydrophobicContact CZ-CD2 4.31Å; F928-Y980 AromaticContact CZ-CG 3.66Å; F928-Y980 HydrophobicContact CZ-CG 3.66Å; F929-Y980 HydrophobicContact CE1-CE1 4.32Å; F929-Y980 HydrophobicContact CE1-CE2 4.3Å; F929-Y980 AromaticContact CE1-CZ 3.84Å; F929-Y980 HydrophobicContact CZ-CE2 4.21Å; A976-Y980 PolarHBondContact O-N 2.83Å; L977-Y980 PolarHBondContact O-N 3.11Å; F978-Y980 VanDerWaalsContact C-N 3.34Å; Y980-A982 VanDerWaalsContact C-N 3.3Å; Y980-A982 PolarHBondContact O-N 2.92Å; Y980-D983 PolarHBondContact O-N 3.04Å; Y980-T984 WeakPolarHBondContact O-CB 3.33Å; Y980-T984 PolarHBondContact O-N 3.32Å; Y980-T984 PolarHBondContact O-OG1 3.27Å
981	F	88.7	Confident	86.3	Confident	0 Å²	0	32.7 Å²	32.7	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-57	-44.4	173	162.7	-105.4	0	0	0	111.8	L894 A902 L903 T906 M959 F962 L977 F978 Q979 T984 L985	L894-F981 HydrophobicContact CD1-CE1 4.35Å; L894-F981 HydrophobicContact CD2-CE1 4.1Å; L894-F981 HydrophobicContact CD2-CZ 4.43Å; A902-F981 HydrophobicContact CB-CE2 4.03Å; L903-F981 HydrophobicContact CB-CD2 4.44Å; L903-F981 HydrophobicContact CB-CE2 3.94Å; T906-F981 HydrophobicContact CG2-CB 4.25Å; T906-F981 WeakPolarHBondContact OG1-CA 3.29Å; M959-F981 HydrophobicContact CE-CE1 4.38Å; M959-F981 HydrophobicContact CE-CE2 3.89Å; M959-F981 HydrophobicContact CE-CZ 3.45Å; M959-F981 VanDerWaalsContact CE-CZ 3.45Å; M959-F981 HydrophobicContact SD-CE1 4.47Å; M959-F981 HydrophobicContact SD-CZ 4.06Å; F962-F981 HydrophobicContact CE1-CB 4.5Å; F962-F981 HydrophobicContact CE1-CD1 4.19Å; F962-F981 HydrophobicContact CE1-CD2 4.49Å; F962-F981 HydrophobicContact CE1-CG 4.11Å; F962-F981 HydrophobicContact CZ-CB 4.32Å; F962-F981 HydrophobicContact CZ-CG 4.38Å; L977-F981 PolarHBondContact O-N 3.37Å; F978-F981 AromaticContact CD2-CD1 4Å; F978-F981 HydrophobicContact CD2-CD1 4Å; F978-F981 AromaticContact CE2-CD1 3.89Å; F978-F981 HydrophobicContact CE2-CD1 3.89Å; F978-F981 HydrophobicContact CE2-CE1 4.21Å; F978-F981 PolarHBondContact O-N 3.47Å; Q979-F981 PolarHBondContact O-N 3.08Å; F981-T984 WeakPolarHBondContact O-CB 3.46Å; F981-T984 PolarHBondContact O-N 3.05Å; F981-L985 HydrophobicContact CZ-CD2 4.32Å; F981-L985 WeakPolarHBondContact O-CB 3.42Å; F981-L985 PolarHBondContact O-N 3.4Å
982	A	83.2	Confident	85.6	Confident	13 Å²	13	32.4 Å²	32.4	11%	0.107	17%	0.172	C	C	.	.	H	α-helix	trans	-74	-31.8	-175.6	0	0	0	0	0	113.3	F978 Q979 Y980 L985 K986	F978-A982 WeakPolarHBondContact O-CB 3.21Å; F978-A982 PolarHBondContact O-N 3.34Å; Q979-A982 PolarHBondContact O-N 2.93Å; Q979-A982 VanDerWaalsContact O-N 3.13Å; Y980-A982 VanDerWaalsContact C-N 3.3Å; Y980-A982 PolarHBondContact O-N 2.92Å; A982-L985 PolarHBondContact O-N 3.36Å; A982-K986 PolarHBondContact O-N 2.99Å
983	D	86.9	Confident	84.6	Confident	51 Å²	51	31.1 Å²	31.1	27%	0.273	16%	0.156	S	C	.	.	H	α-helix	trans	-68.3	-39.9	170.9	-66.9	-29.4	0	0	0	110.6	V918 Q979 Y980 L985 K986 E987	V918-D983 HydrophobicContact CB-CB 4.38Å; V918-D983 HydrophobicContact CG1-CB 4.4Å; V918-D983 HydrophobicContact CG2-CB 4.18Å; Q979-D983 VanDerWaalsContact NE2-CG 3.32Å; Q979-D983 PolarHBondContact NE2-OD1 3.48Å; Q979-D983 VanDerWaalsContact NE2-OD1 3.15Å; Q979-D983 PolarHBondContact NE2-OD2 2.86Å; Q979-D983 PolarHBondContact O-N 2.88Å; Y980-D983 PolarHBondContact O-N 3.04Å; D983-L985 VanDerWaalsContact C-N 3.34Å; D983-L985 PolarHBondContact O-N 3.18Å; D983-K986 WeakPolarHBondContact O-CB 3.43Å; D983-K986 PolarHBondContact O-N 3.24Å; D983-E987 PolarHBondContact O-N 3.3Å
984	T	90	Very high	83.8	Confident	0 Å²	0	36.7 Å²	36.7	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-58.8	-45.7	171.6	-54.7	0	0	0	0	110.7	A902 T905 T906 I917 V918 Y980 F981 K986 E987 V988	A902-T984 HydrophobicContact CB-CG2 4.34Å; T905-T984 HydrophobicContact CG2-CG2 3.85Å; T906-T984 WeakPolarHBondContact OG1-CB 3.26Å; T906-T984 PolarHBondContact OG1-OG1 3.16Å; I917-T984 HydrophobicContact CD1-CG2 3.85Å; I917-T984 HydrophobicContact CG1-CG2 4.11Å; V918-T984 WeakPolarHBondContact CG2-OG1 3.02Å; Y980-T984 WeakPolarHBondContact O-CB 3.33Å; Y980-T984 PolarHBondContact O-N 3.32Å; Y980-T984 PolarHBondContact O-OG1 3.27Å; F981-T984 WeakPolarHBondContact O-CB 3.46Å; F981-T984 PolarHBondContact O-N 3.05Å; T984-K986 VanDerWaalsContact C-N 3.33Å; T984-K986 PolarHBondContact O-N 2.83Å; T984-E987 PolarHBondContact O-N 3.19Å; T984-V988 HydrophobicContact CG2-CG2 4.44Å; T984-V988 WeakPolarHBondContact O-CG2 3.37Å; T984-V988 PolarHBondContact O-N 3.39Å
985	L	85.1	Confident	82.9	Confident	26 Å²	26	38.5 Å²	38.5	14%	0.136	19%	0.187	C	C	.	.	H	α-helix	trans	-60.5	-42.7	176.9	175.6	57.6	0	0	0	112	L894 A902 F981 A982 D983 E987 V988 V989	L894-L985 HydrophobicContact CD2-CD2 3.37Å; A902-L985 HydrophobicContact CB-CB 3.79Å; A902-L985 HydrophobicContact CB-CD1 3.85Å; A902-L985 HydrophobicContact CB-CG 4.44Å; F981-L985 HydrophobicContact CZ-CD2 4.32Å; F981-L985 WeakPolarHBondContact O-CB 3.42Å; F981-L985 PolarHBondContact O-N 3.4Å; A982-L985 PolarHBondContact O-N 3.36Å; D983-L985 VanDerWaalsContact C-N 3.34Å; D983-L985 PolarHBondContact O-N 3.18Å; L985-E987 VanDerWaalsContact C-N 3.35Å; L985-V988 PolarHBondContact O-N 2.76Å; L985-V989 HydrophobicContact CD1-CG2 3.98Å; L985-V989 WeakPolarHBondContact O-CB 3.28Å; L985-V989 VanDerWaalsContact O-CG2 3.28Å; L985-V989 WeakPolarHBondContact O-CG2 3.37Å; L985-V989 PolarHBondContact O-N 3.13Å
986	K	82.5	Confident	81.3	Confident	134 Å²	134	36.9 Å²	36.9	58%	0.583	18%	0.183	S	C	*	.	H	α-helix	trans	-59.4	-47.1	176.5	-175	-177.6	175.2	-173.1	0	111	A982 D983 T984 V989 D990	A982-K986 PolarHBondContact O-N 2.99Å; D983-K986 WeakPolarHBondContact O-CB 3.43Å; D983-K986 PolarHBondContact O-N 3.24Å; T984-K986 VanDerWaalsContact C-N 3.33Å; T984-K986 PolarHBondContact O-N 2.83Å; K986-V989 PolarHBondContact O-N 2.84Å; K986-D990 WeakPolarHBondContact O-CB 3.4Å; K986-D990 VanDerWaalsContact O-CG 3.31Å; K986-D990 PolarHBondContact O-N 2.9Å
987	E	88.5	Confident	80	Confident	61 Å²	61	42.7 Å²	42.7	29%	0.285	20%	0.203	S	C	.	.	H	α-helix	trans	-66.3	-40.9	178.5	-172.4	60.2	-153.1	0	0	112.3	I917 V918 D983 T984 L985 V989 D990 Q991 R994	I917-E987 HydrophobicContact CB-CG 4.42Å; I917-E987 HydrophobicContact CD1-CB 4Å; I917-E987 HydrophobicContact CD1-CG 3.95Å; I917-E987 HydrophobicContact CG1-CG 4.38Å; V918-E987 HydrophobicContact CG1-CB 3.77Å; V918-E987 HydrophobicContact CG1-CG 4.32Å; D983-E987 PolarHBondContact O-N 3.3Å; T984-E987 PolarHBondContact O-N 3.19Å; L985-E987 VanDerWaalsContact C-N 3.35Å; E987-V989 VanDerWaalsContact C-N 3.3Å; E987-V989 PolarHBondContact O-N 3.38Å; E987-D990 PolarHBondContact O-N 3.45Å; E987-Q991 WeakPolarHBondContact O-CB 3.44Å; E987-Q991 PolarHBondContact O-N 3.43Å; E987-R994 IonicContact OE1-CZ 3.7Å; E987-R994 IonicContact OE1-NH2 2.72Å; E987-R994 PolarHBondContact OE1-NH2 3.34Å
988	V	87.1	Confident	78.7	Confident	23 Å²	23	44 Å²	44	14%	0.139	21%	0.208	C	C	.	.	H	α-helix	trans	-61	-41	174.9	167.9	0	0	0	0	111.3	A901 A902 I917 T984 L985 A992	A901-V988 HydrophobicContact CB-CG1 4.3Å; A902-V988 HydrophobicContact CB-CB 4.44Å; A902-V988 HydrophobicContact CB-CG2 4.19Å; I917-V988 HydrophobicContact CD1-CG2 3.93Å; T984-V988 HydrophobicContact CG2-CG2 4.44Å; T984-V988 WeakPolarHBondContact O-CG2 3.37Å; T984-V988 PolarHBondContact O-N 3.39Å; L985-V988 PolarHBondContact O-N 2.76Å; V988-A992 VanDerWaalsContact O-CB 3.31Å; V988-A992 WeakPolarHBondContact O-CB 3.33Å; V988-A992 PolarHBondContact O-N 3.31Å
989	V	77.4	Confident	77.5	Confident	22 Å²	22	47.2 Å²	47.2	13%	0.133	23%	0.225	C	C	.	.	H	α-helix	trans	-66.4	-44.3	176.2	164	0	0	0	0	110.8	Y898 L985 K986 E987 A992 K993 Y998	Y898-V989 HydrophobicContact CG-CG2 4.32Å; L985-V989 HydrophobicContact CD1-CG2 3.98Å; L985-V989 WeakPolarHBondContact O-CB 3.28Å; L985-V989 VanDerWaalsContact O-CG2 3.28Å; L985-V989 WeakPolarHBondContact O-CG2 3.37Å; L985-V989 PolarHBondContact O-N 3.13Å; K986-V989 PolarHBondContact O-N 2.84Å; E987-V989 VanDerWaalsContact C-N 3.3Å; E987-V989 PolarHBondContact O-N 3.38Å; V989-A992 PolarHBondContact O-N 2.84Å; V989-K993 WeakPolarHBondContact O-CG 3.48Å; V989-K993 PolarHBondContact O-N 3.26Å; V989-Y998 HydrophobicContact CB-CE2 4.24Å; V989-Y998 HydrophobicContact CG1-CD2 4.08Å; V989-Y998 HydrophobicContact CG1-CE2 3.53Å; V989-Y998 HydrophobicContact CG2-CE2 4.04Å
990	D	80.5	Confident	76.3	Confident	51 Å²	51	46.3 Å²	46.3	27%	0.273	22%	0.222	S	C	.	.	H	α-helix	trans	-68.9	-37.2	179.8	-69.9	-18.1	0	0	0	111.7	K986 E987 K993 R994	K986-D990 WeakPolarHBondContact O-CB 3.4Å; K986-D990 VanDerWaalsContact O-CG 3.31Å; K986-D990 PolarHBondContact O-N 2.9Å; E987-D990 PolarHBondContact O-N 3.45Å; D990-K993 WeakPolarHBondContact O-CB 3.28Å; D990-K993 PolarHBondContact O-N 2.86Å; D990-K993 IonicContact OD1-NZ 3.69Å; D990-K993 PolarHBondContact OD1-NZ 3.22Å; D990-R994 WeakPolarHBondContact O-CG 3.28Å; D990-R994 PolarHBondContact O-N 3.24Å
991	Q	79.8	Confident	74.9	Confident	73 Å²	73	46.8 Å²	46.8	34%	0.341	23%	0.228	S	C	.	.	H	α-helix	trans	-62.9	-43.3	169.5	-174.2	61.5	31.2	0	0	111.8	E987 K993 R994 D995	E987-Q991 WeakPolarHBondContact O-CB 3.44Å; E987-Q991 PolarHBondContact O-N 3.43Å; Q991-K993 PolarHBondContact O-N 3.2Å; Q991-R994 PolarHBondContact O-N 3.21Å; Q991-R994 VanDerWaalsContact OE1-NE 3.12Å; Q991-D995 VanDerWaalsContact NE2-CG 3.3Å; Q991-D995 PolarHBondContact NE2-OD1 2.84Å; Q991-D995 PolarHBondContact NE2-OD2 3.07Å; Q991-D995 WeakPolarHBondContact O-CB 3.44Å; Q991-D995 PolarHBondContact O-N 2.96Å
992	A	74	Confident	73.8	Confident	7 Å²	7	47.7 Å²	47.7	6%	0.058	23%	0.232	C	C	.	.	H	α-helix	trans	-63.6	-32.3	176.5	0	0	0	0	0	112.1	Y898 V988 V989 G996 R997 Y998	Y898-A992 HydrophobicContact CD1-CB 3.96Å; Y898-A992 HydrophobicContact CE1-CB 3.52Å; V988-A992 VanDerWaalsContact O-CB 3.31Å; V988-A992 WeakPolarHBondContact O-CB 3.33Å; V988-A992 PolarHBondContact O-N 3.31Å; V989-A992 PolarHBondContact O-N 2.84Å; A992-G996 PolarHBondContact O-N 2.71Å; A992-R997 CarbonylContact O-C 3.45Å; A992-R997 PolarHBondContact O-N 2.92Å; A992-Y998 HydrophobicContact CB-CD2 4.12Å; A992-Y998 PolarHBondContact O-N 2.66Å
993	K	68.4	Low	73.2	Confident	52 Å²	52	47.5 Å²	47.5	23%	0.226	23%	0.229	C	C	.	.	H	α-helix	trans	-67.6	-48.9	173.5	-70.3	171.7	-163.6	152.6	0	110.4	V989 D990 Q991 D995 G996 Y998	V989-K993 WeakPolarHBondContact O-CG 3.48Å; V989-K993 PolarHBondContact O-N 3.26Å; D990-K993 WeakPolarHBondContact O-CB 3.28Å; D990-K993 PolarHBondContact O-N 2.86Å; D990-K993 IonicContact OD1-NZ 3.69Å; D990-K993 PolarHBondContact OD1-NZ 3.22Å; Q991-K993 PolarHBondContact O-N 3.2Å; K993-D995 VanDerWaalsContact C-N 3.31Å; K993-D995 PolarHBondContact O-N 3.24Å; K993-G996 PolarHBondContact O-N 3.46Å; K993-Y998 HydrophobicContact CG-CD1 3.81Å; K993-Y998 HydrophobicContact CG-CD2 4.34Å; K993-Y998 HydrophobicContact CG-CG 3.68Å
994	R	70.8	Confident	72.5	Confident	117 Å²	117	46.2 Å²	46.2	44%	0.442	22%	0.223	S	C	.	.	H	α-helix	trans	-52.1	-49.5	173.4	-71.4	-171.2	-67.3	-146.3	-8.7	112.2	E78 E987 D990 Q991 G996	E78-R994 VanDerWaalsContact OE2-CA 3.25Å; E78-R994 WeakPolarHBondContact OE2-CA 3.33Å; E987-R994 IonicContact OE1-CZ 3.7Å; E987-R994 IonicContact OE1-NH2 2.72Å; E987-R994 PolarHBondContact OE1-NH2 3.34Å; D990-R994 WeakPolarHBondContact O-CG 3.28Å; D990-R994 PolarHBondContact O-N 3.24Å; Q991-R994 PolarHBondContact O-N 3.21Å; Q991-R994 VanDerWaalsContact OE1-NE 3.12Å; R994-G996 PolarHBondContact O-N 2.7Å
995	D	69.7	Low	71.7	Confident	38 Å²	38	46.5 Å²	46.5	20%	0.203	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.1	-2	-179.2	-62	-24	0	0	0	113.7	Q991 K993 R997	Q991-D995 VanDerWaalsContact NE2-CG 3.3Å; Q991-D995 PolarHBondContact NE2-OD1 2.84Å; Q991-D995 PolarHBondContact NE2-OD2 3.07Å; Q991-D995 WeakPolarHBondContact O-CB 3.44Å; Q991-D995 PolarHBondContact O-N 2.96Å; K993-D995 VanDerWaalsContact C-N 3.31Å; K993-D995 PolarHBondContact O-N 3.24Å; D995-R997 HydrophobicContact CB-CG 4.07Å; D995-R997 PolarHBondContact O-N 3.23Å; D995-R997 VanDerWaalsContact O-N 3.13Å; D995-R997 IonicContact OD1-NH2 2.76Å; D995-R997 IonicContact OD2-CZ 3.98Å; D995-R997 IonicContact OD2-NH1 3.63Å; D995-R997 PolarHBondContact OD2-NH1 2.78Å; D995-R997 IonicContact OD2-NH2 3.62Å; D995-R997 PolarHBondContact OD2-NH2 3.25Å
996	G	54.1	Low	71	Confident	20 Å²	20	46.4 Å²	46.4	21%	0.206	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	65.8	12.2	-175.1	0	0	0	0	0	114.9	A992 K993 R994	A992-G996 PolarHBondContact O-N 2.71Å; K993-G996 PolarHBondContact O-N 3.46Å; R994-G996 PolarHBondContact O-N 2.7Å
997	R	60.6	Low	70.2	Confident	134 Å²	134	41.1 Å²	41.1	51%	0.506	21%	0.207	S	C	.	.			trans	-90.9	-7.8	179.9	-61.6	-170.4	-126.4	113.4	3.3	112.5	Y898 A992 D995 D999	Y898-R997 PolarHBondContact OH-O 3.04Å; A992-R997 CarbonylContact O-C 3.45Å; A992-R997 PolarHBondContact O-N 2.92Å; D995-R997 HydrophobicContact CB-CG 4.07Å; D995-R997 PolarHBondContact O-N 3.23Å; D995-R997 VanDerWaalsContact O-N 3.13Å; D995-R997 IonicContact OD1-NH2 2.76Å; D995-R997 IonicContact OD2-CZ 3.98Å; D995-R997 IonicContact OD2-NH1 3.63Å; D995-R997 PolarHBondContact OD2-NH1 2.78Å; D995-R997 IonicContact OD2-NH2 3.62Å; D995-R997 PolarHBondContact OD2-NH2 3.25Å; R997-D999 PolarHBondContact O-N 3.19Å
998	Y	63.2	Low	69.1	Low	27 Å²	27	42.9 Å²	42.9	11%	0.106	22%	0.224	C	C	.	.			trans	-66.3	123.3	178.4	-164.8	-110.4	0	0	0	110.6	Q891 Y898 V989 A992 K993 L1000	Q891-Y998 WeakPolarHBondContact CG-OH 3.37Å; Y898-Y998 HydrophobicContact CD1-CD2 4.45Å; Y898-Y998 HydrophobicContact CD2-CD2 4.23Å; Y898-Y998 AromaticContact CD2-CE2 3.89Å; Y898-Y998 HydrophobicContact CD2-CE2 3.89Å; Y898-Y998 AromaticContact CE1-CD2 3.98Å; Y898-Y998 HydrophobicContact CE1-CD2 3.98Å; Y898-Y998 AromaticContact CE2-CD2 3.72Å; Y898-Y998 HydrophobicContact CE2-CD2 3.72Å; Y898-Y998 AromaticContact CE2-CE2 3.69Å; Y898-Y998 HydrophobicContact CE2-CE2 3.69Å; Y898-Y998 HydrophobicContact CG-CE2 4.41Å; Y898-Y998 AromaticContact CZ-CD2 3.58Å; Y898-Y998 WeakPolarHBondContact OH-CA 3.46Å; V989-Y998 HydrophobicContact CB-CE2 4.24Å; V989-Y998 HydrophobicContact CG1-CD2 4.08Å; V989-Y998 HydrophobicContact CG1-CE2 3.53Å; V989-Y998 HydrophobicContact CG2-CE2 4.04Å; A992-Y998 HydrophobicContact CB-CD2 4.12Å; A992-Y998 PolarHBondContact O-N 2.66Å; K993-Y998 HydrophobicContact CG-CD1 3.81Å; K993-Y998 HydrophobicContact CG-CD2 4.34Å; K993-Y998 HydrophobicContact CG-CG 3.68Å; Y998-L1000 HydrophobicContact CD1-CD2 3.76Å; Y998-L1000 HydrophobicContact CD1-CG 4.22Å; Y998-L1000 HydrophobicContact CE1-CD2 4.15Å; Y998-L1000 PolarHBondContact O-N 3.4Å
999	D	60.2	Low	68.2	Low	70 Å²	70	46.2 Å²	46.2	37%	0.374	24%	0.238	S	C	.	.			trans	-79.6	101.1	174.3	-167.4	-10.1	0	0	0	106.9	Y898 R997 G1001	Y898-D999 PolarHBondContact OH-N 2.9Å; R997-D999 PolarHBondContact O-N 3.19Å; D999-G1001 PolarHBondContact O-N 3.31Å; D999-G1001 PolarHBondContact OD1-N 3.27Å; D999-G1001 VanDerWaalsContact OD1-N 3.1Å
1000	L	60.3	Low	68.1	Low	53 Å²	53	46.2 Å²	46.2	28%	0.277	24%	0.236	S	C	.	.			trans	-70.5	-6.6	177.7	-70.1	167.3	0	0	0	112.1	Y998 I1002	Y998-L1000 HydrophobicContact CD1-CD2 3.76Å; Y998-L1000 HydrophobicContact CD1-CG 4.22Å; Y998-L1000 HydrophobicContact CE1-CD2 4.15Å; Y998-L1000 PolarHBondContact O-N 3.4Å; L1000-I1002 PolarHBondContact O-N 2.92Å
1001	G	62.7	Low	68.2	Low	11 Å²	11	47.5 Å²	47.5	11%	0.113	24%	0.24	C	C	.	.			trans	70.1	-126.2	-174.6	0	0	0	0	0	110.8	D888 D999 Q1228	D888-G1001 WeakPolarHBondContact OD2-CA 3.28Å; D999-G1001 PolarHBondContact O-N 3.31Å; D999-G1001 PolarHBondContact OD1-N 3.27Å; D999-G1001 VanDerWaalsContact OD1-N 3.1Å; G1001-Q1228 VanDerWaalsContact O-CG 3.3Å; G1001-Q1228 WeakPolarHBondContact O-CG 3.45Å; G1001-Q1228 PolarHBondContact O-NE2 3.37Å
1002	I	64.8	Low	68.5	Low	19 Å²	19	44.1 Å²	44.1	10%	0.097	22%	0.224	C	C	.	.	S	Bend	trans	-85.2	129.6	-176.3	-57.6	158.3	0	0	0	109.9	E368 D888 L1000 V1229 R1231	E368-I1002 WeakPolarHBondContact OE2-CD1 3.46Å; E368-I1002 WeakPolarHBondContact OE2-CG1 3.42Å; D888-I1002 PolarHBondContact OD2-N 2.93Å; D888-I1002 VanDerWaalsContact OD2-N 3.08Å; L1000-I1002 PolarHBondContact O-N 2.92Å; I1002-V1229 HydrophobicContact CG1-CB 4.5Å; I1002-V1229 HydrophobicContact CG2-CB 4.48Å; I1002-V1229 HydrophobicContact CG2-CG1 4.22Å; I1002-R1231 HydrophobicContact CG2-CG 3.63Å
1003	L	71.3	Confident	69.2	Low	9 Å²	9	48.8 Å²	48.8	5%	0.047	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	124.6	174.4	-175	69.1	0	0	0	110.2	F81 L83 L1005 Q1228 V1229 V1230 R1231 I1244	F81-L1003 HydrophobicContact CD1-CD1 4.47Å; L83-L1003 HydrophobicContact CD2-CD1 4.32Å; L1003-L1005 HydrophobicContact CD2-CD1 4.4Å; L1003-L1005 HydrophobicContact CD2-CD2 3.91Å; L1003-L1005 HydrophobicContact CD2-CG 4.13Å; L1003-L1005 HydrophobicContact CG-CD2 4.14Å; L1003-L1005 HydrophobicContact CG-CG 4.29Å; L1003-Q1228 HydrophobicContact CB-CG 4.37Å; L1003-V1229 PolarHBondContact N-O 3.09Å; L1003-V1230 HydrophobicContact CB-CB 4.35Å; L1003-V1230 HydrophobicContact CB-CG2 4.19Å; L1003-V1230 HydrophobicContact CD2-CG2 4.16Å; L1003-V1230 HydrophobicContact CG-CG2 4.28Å; L1003-V1230 CarbonylContact O-C 3.56Å; L1003-V1230 WeakPolarHBondContact O-CA 3.3Å; L1003-V1230 WeakPolarHBondContact O-CG2 3.35Å; L1003-R1231 PolarHBondContact O-N 2.69Å; L1003-I1244 HydrophobicContact CD2-CD1 3.48Å; L1003-I1244 VanDerWaalsContact CD2-CD1 3.48Å
1004	D	70.6	Confident	70.1	Confident	24 Å²	24	47.9 Å²	47.9	13%	0.128	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	126.2	171.3	-69.3	-59.4	0	0	0	110.3	L83 A86 R1231	L83-D1004 HydrophobicContact CD2-CB 4.11Å; A86-D1004 HydrophobicContact CB-CB 4.28Å; D1004-R1231 CarbonylContact C-O 3.48Å; D1004-R1231 VanDerWaalsContact CA-O 3.32Å; D1004-R1231 WeakPolarHBondContact CA-O 3.42Å; D1004-R1231 VanDerWaalsContact CG-NH2 3.33Å; D1004-R1231 WeakPolarHBondContact OD1-CB 3.32Å; D1004-R1231 IonicContact OD1-CZ 3.74Å; D1004-R1231 VanDerWaalsContact OD1-CZ 3.27Å; D1004-R1231 IonicContact OD1-NE 2.82Å; D1004-R1231 PolarHBondContact OD1-NE 3.13Å; D1004-R1231 IonicContact OD1-NH2 3.37Å; D1004-R1231 PolarHBondContact OD1-NH2 3.11Å; D1004-R1231 IonicContact OD2-CZ 2.98Å; D1004-R1231 IonicContact OD2-NE 3.9Å; D1004-R1231 IonicContact OD2-NH2 2.89Å; D1004-R1231 PolarHBondContact OD2-NH2 3.14Å
1005	L	74.1	Confident	70.9	Confident	6 Å²	6	45.4 Å²	45.4	3%	0.031	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	151.4	174.6	-58.1	173.8	0	0	0	110.7	L1003 V1038 F1180 V1230 R1231 L1232 R1233	L1003-L1005 HydrophobicContact CD2-CD1 4.4Å; L1003-L1005 HydrophobicContact CD2-CD2 3.91Å; L1003-L1005 HydrophobicContact CD2-CG 4.13Å; L1003-L1005 HydrophobicContact CG-CD2 4.14Å; L1003-L1005 HydrophobicContact CG-CG 4.29Å; L1005-V1038 HydrophobicContact CD1-CG2 4.07Å; L1005-V1038 HydrophobicContact CD2-CG2 4.47Å; L1005-F1180 HydrophobicContact CD1-CD2 4.06Å; L1005-F1180 HydrophobicContact CD1-CE2 4.25Å; L1005-F1180 HydrophobicContact CD1-CG 4.21Å; L1005-F1180 HydrophobicContact CD2-CE2 4.49Å; L1005-F1180 HydrophobicContact CD2-CZ 4.48Å; L1005-V1230 HydrophobicContact CD1-CG2 3.51Å; L1005-V1230 HydrophobicContact CG-CG2 3.71Å; L1005-R1231 PolarHBondContact N-O 3.4Å; L1005-L1232 HydrophobicContact CB-CB 3.75Å; L1005-L1232 HydrophobicContact CD1-CD2 4.44Å; L1005-L1232 WeakPolarHBondContact O-CA 3.5Å; L1005-R1233 PolarHBondContact O-N 2.88Å; L1005-R1233 VanDerWaalsContact O-N 3.11Å
1006	G	70.6	Confident	71.9	Confident	23 Å²	23	47.2 Å²	47.2	24%	0.237	24%	0.243	C	C	.	.			trans	90.6	34.5	-176.5	0	0	0	0	0	112.3	E1010	G1006-E1010 PolarHBondContact N-OE2 2.8Å
1007	L	66.6	Low	73.7	Confident	23 Å²	23	46.4 Å²	46.4	12%	0.12	23%	0.234	C	C	.	.			trans	-57.1	159	166.5	-52.7	179.3	0	0	0	109.9	S84 H1009 E1010	S84-L1007 WeakPolarHBondContact O-CD2 3.5Å; L1007-H1009 PolarHBondContact O-N 3.49Å; L1007-E1010 HydrophobicContact CB-CB 4.37Å; L1007-E1010 HydrophobicContact CB-CG 3.97Å; L1007-E1010 HydrophobicContact CD1-CG 4.45Å; L1007-E1010 HydrophobicContact CG-CG 4.32Å; L1007-E1010 PolarHBondContact N-OE2 3.35Å; L1007-E1010 PolarHBondContact O-N 3.36Å
1008	P	65.2	Low	75.2	Confident	99 Å²	99	40.1 Å²	40.1	64%	0.643	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.2	-23.1	-179.5	-27.7	34.8	0	0	0	115.4
1009	H	67.2	Low	76.4	Confident	92 Å²	92	39.8 Å²	39.8	43%	0.426	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.6	4.1	178.8	-52.3	-59.1	0	0	0	113.8	L1007 Y1112	L1007-H1009 PolarHBondContact O-N 3.49Å; H1009-Y1112 AromaticContact CD2-CD2 4Å; H1009-Y1112 AromaticContact CD2-CG 3.78Å
1010	E	75.6	Confident	77.6	Confident	22 Å²	22	36.7 Å²	36.7	10%	0.103	19%	0.194	C	C	.	.			trans	-111.2	119	178.8	-64.8	-172.6	146.1	0	0	110.2	G1006 L1007 V1012 V1038 R1040	G1006-E1010 PolarHBondContact N-OE2 2.8Å; L1007-E1010 HydrophobicContact CB-CB 4.37Å; L1007-E1010 HydrophobicContact CB-CG 3.97Å; L1007-E1010 HydrophobicContact CD1-CG 4.45Å; L1007-E1010 HydrophobicContact CG-CG 4.32Å; L1007-E1010 PolarHBondContact N-OE2 3.35Å; L1007-E1010 PolarHBondContact O-N 3.36Å; E1010-V1012 HydrophobicContact CB-CG2 4.2Å; E1010-V1012 PolarHBondContact O-N 3.31Å; E1010-V1038 HydrophobicContact CB-CG1 4.17Å; E1010-V1038 HydrophobicContact CG-CG1 4.32Å; E1010-R1040 HydrophobicContact CG-CG 4.21Å; E1010-R1040 IonicContact OE1-CZ 3.8Å; E1010-R1040 IonicContact OE1-NE 2.72Å; E1010-R1040 PolarHBondContact OE1-NE 2.97Å; E1010-R1040 IonicContact OE1-NH2 3.62Å; E1010-R1040 PolarHBondContact OE1-NH2 2.83Å
1011	K	82.9	Confident	78.5	Confident	79 Å²	79	35.6 Å²	35.6	34%	0.343	19%	0.189	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	100.5	174.2	-66.6	169.1	-173.9	162.7	0	107.9	E1039 E1046	K1011-E1039 HydrophobicContact CB-CB 4.22Å; K1011-E1039 PolarHBondContact N-O 2.92Å; K1011-E1039 PolarHBondContact O-N 2.93Å; K1011-E1046 IonicContact NZ-OE1 3.75Å; K1011-E1046 PolarHBondContact NZ-OE1 2.82Å; K1011-E1046 IonicContact NZ-OE2 3.95Å
1012	V	86.3	Confident	78.7	Confident	1 Å²	1	36.8 Å²	36.8	1%	0.006	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	117.8	-176.8	-178.2	0	0	0	0	110.9	E1010 V1036 S1037 V1038 L1232 T1234 D1235	E1010-V1012 HydrophobicContact CB-CG2 4.2Å; E1010-V1012 PolarHBondContact O-N 3.31Å; V1012-V1036 HydrophobicContact CG1-CG1 3.36Å; V1012-S1037 WeakPolarHBondContact CA-O 3.44Å; V1012-V1038 HydrophobicContact CG1-CG2 4.42Å; V1012-V1038 HydrophobicContact CG2-CB 4.49Å; V1012-V1038 HydrophobicContact CG2-CG1 4.15Å; V1012-V1038 HydrophobicContact CG2-CG2 4.05Å; V1012-L1232 HydrophobicContact CG1-CD1 4.25Å; V1012-T1234 WeakPolarHBondContact O-CA 3.44Å; V1012-D1235 PolarHBondContact O-N 2.97Å
1013	K	87.7	Confident	78.3	Confident	105 Å²	105	40.1 Å²	40.1	46%	0.457	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	130.4	-179.9	-70.8	179.3	-179.5	174.4	0	110.8	V1036 S1037 D1235	K1013-V1036 WeakPolarHBondContact O-CA 3.07Å; K1013-S1037 PolarHBondContact N-O 2.95Å; K1013-S1037 PolarHBondContact O-N 2.91Å; K1013-D1235 WeakPolarHBondContact CE-OD2 3.5Å; K1013-D1235 WeakPolarHBondContact CG-OD2 3.21Å
1014	K	87.3	Confident	77.2	Confident	33 Å²	33	45.5 Å²	45.5	14%	0.143	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	121.3	170.2	-169.4	170.3	-179.1	171.2	0	107.7	T1017 H1034 T1234 Y1269	K1014-T1017 WeakPolarHBondContact CE-OG1 3.34Å; K1014-H1034 VanDerWaalsContact CE-ND1 3.28Å; K1014-H1034 WeakPolarHBondContact CE-ND1 3.46Å; K1014-H1034 PolarHBondContact NZ-ND1 3.32Å; K1014-T1234 HydrophobicContact CB-CG2 4.26Å; K1014-Y1269 HydrophobicContact CD-CD2 4.21Å; K1014-Y1269 HydrophobicContact CD-CE1 4.41Å; K1014-Y1269 HydrophobicContact CD-CE2 3.91Å; K1014-Y1269 HydrophobicContact CG-CD2 3.94Å; K1014-Y1269 HydrophobicContact CG-CE2 4.09Å; K1014-Y1269 HydrophobicContact CG-CG 4.36Å; K1014-Y1269 WeakPolarHBondContact O-CB 3.36Å
1015	V	88.3	Confident	76	Confident	66 Å²	66	56.6 Å²	56.6	40%	0.4	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	-46.3	-175.8	178.3	0	0	0	0	111	V1035 M1179 Y1269	V1015-V1035 HydrophobicContact CB-CG1 4.43Å; V1015-V1035 PolarHBondContact N-O 3.29Å; V1015-M1179 HydrophobicContact CB-CE 4.36Å; V1015-M1179 HydrophobicContact CG2-CE 3.96Å; V1015-Y1269 PolarHBondContact O-N 3.47Å; V1015-Y1269 VanDerWaalsContact O-N 3.11Å
1016	K	90.5	Very high	74.7	Confident	76 Å²	76	59 Å²	59	33%	0.33	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	150.3	-176.4	179	-179.4	173.8	-178.2	0	110.6	H1034 V1035 V1266 K1267	K1016-H1034 WeakPolarHBondContact O-CA 3Å; K1016-V1035 HydrophobicContact CB-CB 4.11Å; K1016-V1035 HydrophobicContact CB-CG2 4.26Å; K1016-V1035 PolarHBondContact N-O 2.92Å; K1016-V1035 PolarHBondContact O-N 3.3Å; K1016-V1266 HydrophobicContact CD-CG1 4.27Å; K1016-V1266 VanDerWaalsContact CE-CG1 3.41Å; K1016-V1266 HydrophobicContact CG-CG1 4.17Å; K1016-K1267 CarbonylContact C-O 3.53Å; K1016-K1267 WeakPolarHBondContact CA-O 3.11Å
1017	T	91.7	Very high	73.6	Confident	3 Å²	3	62.4 Å²	62.4	2%	0.018	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	131.9	166.6	-64	0	0	0	0	110.1	K1014 E1032 L1033 H1034 V1266 K1267	K1014-T1017 WeakPolarHBondContact CE-OG1 3.34Å; T1017-E1032 HydrophobicContact CG2-CB 4.15Å; T1017-L1033 WeakPolarHBondContact CA-O 3Å; T1017-H1034 VanDerWaalsContact CG2-ND1 3.3Å; T1017-H1034 WeakPolarHBondContact CG2-ND1 3.29Å; T1017-H1034 PolarHBondContact OG1-ND1 2.8Å; T1017-V1266 WeakPolarHBondContact O-CA 3.49Å; T1017-K1267 PolarHBondContact N-O 3.49Å; T1017-K1267 PolarHBondContact O-N 2.95Å
1018	T	91.5	Very high	73	Confident	2 Å²	2	63.7 Å²	63.7	1%	0.012	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	115.7	172.3	-46.3	0	0	0	0	108.3	Y1020 E1032 L1033 F1264 F1265 V1266	T1018-Y1020 HydrophobicContact CG2-CE1 3.94Å; T1018-Y1020 HydrophobicContact CG2-CE2 3.8Å; T1018-Y1020 VanDerWaalsContact CG2-CZ 3.46Å; T1018-Y1020 WeakPolarHBondContact CG2-OH 3.29Å; T1018-E1032 CarbonylContact O-C 3.53Å; T1018-E1032 WeakPolarHBondContact O-CA 3.3Å; T1018-L1033 PolarHBondContact N-O 3.41Å; T1018-L1033 PolarHBondContact O-N 3.12Å; T1018-F1264 HydrophobicContact CG2-CD2 4.39Å; T1018-F1265 CarbonylContact C-O 3.5Å; T1018-F1265 WeakPolarHBondContact CA-O 3.39Å; T1018-V1266 HydrophobicContact CG2-CG2 3.89Å
1019	T	89.3	Confident	73.2	Confident	20 Å²	20	61.1 Å²	61.1	12%	0.123	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	124.4	-178.8	-58	0	0	0	0	109.3	K1030 I1031 E1032 F1264 F1265	T1019-K1030 HydrophobicContact CG2-CB 4.14Å; T1019-K1030 HydrophobicContact CG2-CD 4.08Å; T1019-K1030 HydrophobicContact CG2-CG 4.04Å; T1019-I1031 CarbonylContact C-O 3.52Å; T1019-I1031 WeakPolarHBondContact CA-O 3.27Å; T1019-E1032 HydrophobicContact CG2-CG 3.98Å; T1019-E1032 PolarHBondContact OG1-OE1 3.43Å; T1019-F1264 CarbonylContact O-C 3.58Å; T1019-F1264 WeakPolarHBondContact O-CA 3.46Å; T1019-F1265 PolarHBondContact N-O 3.49Å; T1019-F1265 PolarHBondContact O-N 3.22Å
1020	Y	85.8	Confident	73.7	Confident	5 Å²	5	62.1 Å²	62.1	2%	0.02	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	129.1	177.9	-56.7	-84.5	0	0	0	109.6	T1018 K1030 I1031 L1033 L1257 Q1258 F1264	T1018-Y1020 HydrophobicContact CG2-CE1 3.94Å; T1018-Y1020 HydrophobicContact CG2-CE2 3.8Å; T1018-Y1020 VanDerWaalsContact CG2-CZ 3.46Å; T1018-Y1020 WeakPolarHBondContact CG2-OH 3.29Å; Y1020-K1030 WeakPolarHBondContact O-CA 3.42Å; Y1020-I1031 PolarHBondContact N-O 2.99Å; Y1020-I1031 PolarHBondContact O-N 2.79Å; Y1020-L1033 HydrophobicContact CE2-CB 4.18Å; Y1020-L1257 HydrophobicContact CD1-CB 3.61Å; Y1020-L1257 HydrophobicContact CD2-CB 3.9Å; Y1020-L1257 HydrophobicContact CD2-CD1 3.74Å; Y1020-L1257 HydrophobicContact CD2-CG 4.35Å; Y1020-L1257 HydrophobicContact CE1-CB 3.63Å; Y1020-L1257 HydrophobicContact CE2-CB 3.89Å; Y1020-L1257 HydrophobicContact CE2-CD1 3.57Å; Y1020-L1257 HydrophobicContact CE2-CG 4.38Å; Y1020-L1257 HydrophobicContact CG-CB 3.74Å; Y1020-L1257 HydrophobicContact CG-CD1 4.41Å; Y1020-Q1258 HydrophobicContact CE1-CG 3.72Å; Y1020-F1264 HydrophobicContact CD1-CB 3.66Å; Y1020-F1264 HydrophobicContact CE1-CB 3.99Å; Y1020-F1264 HydrophobicContact CE1-CG 4.43Å; Y1020-F1264 HydrophobicContact CG-CB 4.49Å
1021	V	78.8	Confident	74.1	Confident	29 Å²	29	61.7 Å²	61.7	18%	0.176	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	118.5	179.4	-171.6	0	0	0	0	109.6	K1030 S1261 N1262 Q1263 F1265	V1021-K1030 HydrophobicContact CG2-CG 4.23Å; V1021-S1261 WeakPolarHBondContact O-CA 3.47Å; V1021-S1261 WeakPolarHBondContact O-CB 3.41Å; V1021-N1262 PolarHBondContact O-N 3.17Å; V1021-N1262 VanDerWaalsContact O-N 3.12Å; V1021-Q1263 PolarHBondContact N-O 3.21Å; V1021-F1265 HydrophobicContact CG2-CD2 4.33Å; V1021-F1265 HydrophobicContact CG2-CE2 3.89Å
1022	G	66.9	Low	74.4	Confident	37 Å²	37	60.6 Å²	60.6	38%	0.381	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	160.5	-177.1	0	0	0	0	0	114.6	M1029	G1022-M1029 PolarHBondContact N-O 2.97Å; G1022-M1029 VanDerWaalsContact N-O 3.11Å
1023	T	56.4	Low	74.6	Confident	88 Å²	88	60.7 Å²	60.7	54%	0.54	33%	0.333	S	S	.	.	S	Bend	trans	-79.7	-24.2	-179.2	36.5	0	0	0	0	114.9	N1262	T1023-N1262 WeakPolarHBondContact CG2-OD1 3.31Å
1024	M	49	Very low	74.8	Confident	122 Å²	122	55.7 Å²	55.7	60%	0.601	31%	0.311	S	S	*	.	S	Bend	trans	-67.4	135.3	-173	-78.8	-113.6	-127.3	0	0	112.6	G346 A1026	G346-M1024 WeakPolarHBondContact O-CE 3.38Å; M1024-A1026 PolarHBondContact O-N 3.09Å
1025	R	43.9	Very low	75	Confident	257 Å²	257	55.1 Å²	55.1	97%	0.97	31%	0.311	S	S	*	.	S	Bend	trans	-54.4	-14.3	178.4	-80.6	-179.1	175.6	166.1	-1.2	115.3	A1027	R1025-A1027 PolarHBondContact O-N 3.26Å
1026	A	46.7	Very low	75.1	Confident	58 Å²	58	52 Å²	52	48%	0.479	29%	0.292	S	S	.	.	S	Bend	trans	-69.2	87.7	170.5	0	0	0	0	0	108.8	M1024 G1028 M1029	M1024-A1026 PolarHBondContact O-N 3.09Å; A1026-G1028 PolarHBondContact O-N 3.02Å; A1026-M1029 WeakPolarHBondContact O-CG 3.49Å
1027	A	47.6	Very low	75	Confident	94 Å²	94	49.4 Å²	49.4	78%	0.777	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	1.3	101.1	171.9	0	0	0	0	0	116.2	R1025 M1029	R1025-A1027 PolarHBondContact O-N 3.26Å; A1027-M1029 PolarHBondContact O-N 3.22Å
1028	G	55	Low	74.8	Confident	50 Å²	50	49.3 Å²	49.3	52%	0.515	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	67.1	27	150.8	0	0	0	0	0	117	A1026 K1030	A1026-G1028 PolarHBondContact O-N 3.02Å; G1028-K1030 WeakPolarHBondContact O-CG 2.97Å; G1028-K1030 PolarHBondContact O-N 3.43Å
1029	M	68.1	Low	74.6	Confident	44 Å²	44	50.9 Å²	50.9	22%	0.217	29%	0.29	C	S	.	.			trans	-61.9	111.8	175.2	-61.9	-65.3	-85.9	0	0	110	R377 G1022 A1026 A1027 S1186	R377-M1029 HydrophobicContact CG-CE 3.45Å; R377-M1029 VanDerWaalsContact CG-CE 3.45Å; R377-M1029 HydrophobicContact CG-SD 4.1Å; G1022-M1029 PolarHBondContact N-O 2.97Å; G1022-M1029 VanDerWaalsContact N-O 3.11Å; A1026-M1029 WeakPolarHBondContact O-CG 3.49Å; A1027-M1029 PolarHBondContact O-N 3.22Å; M1029-S1186 VanDerWaalsContact CE-CB 3.41Å; M1029-S1186 WeakPolarHBondContact CE-OG 3.16Å
1030	K	78.6	Confident	74.4	Confident	114 Å²	114	51.7 Å²	51.7	50%	0.496	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	137.3	-178.6	-72.7	169.5	-172.8	-179.3	0	110.2	T1019 Y1020 V1021 G1028 G1185 S1186	T1019-K1030 HydrophobicContact CG2-CB 4.14Å; T1019-K1030 HydrophobicContact CG2-CD 4.08Å; T1019-K1030 HydrophobicContact CG2-CG 4.04Å; Y1020-K1030 WeakPolarHBondContact O-CA 3.42Å; V1021-K1030 HydrophobicContact CG2-CG 4.23Å; G1028-K1030 WeakPolarHBondContact O-CG 2.97Å; G1028-K1030 PolarHBondContact O-N 3.43Å; K1030-G1185 WeakPolarHBondContact O-CA 3.41Å; K1030-S1186 PolarHBondContact O-N 3.45Å
1031	I	84.2	Confident	74.4	Confident	13 Å²	13	51.7 Å²	51.7	7%	0.067	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	130.1	168.2	-63.3	173.9	0	0	0	106.7	T1019 Y1020 L1183 T1190 L1257	T1019-I1031 CarbonylContact C-O 3.52Å; T1019-I1031 WeakPolarHBondContact CA-O 3.27Å; Y1020-I1031 PolarHBondContact N-O 2.99Å; Y1020-I1031 PolarHBondContact O-N 2.79Å; I1031-L1183 HydrophobicContact CG2-CD1 3.47Å; I1031-L1183 VanDerWaalsContact CG2-CD1 3.47Å; I1031-L1183 HydrophobicContact CG2-CG 4.08Å; I1031-T1190 HydrophobicContact CD1-CG2 3.38Å; I1031-L1257 HydrophobicContact CD1-CD2 4.08Å; I1031-L1257 HydrophobicContact CG2-CD1 4.31Å; I1031-L1257 HydrophobicContact CG2-CD2 4.35Å
1032	E	88.1	Confident	74.9	Confident	56 Å²	56	50.7 Å²	50.7	26%	0.262	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	123	-177.7	-56.2	-162.1	145	0	0	110.3	T1017 T1018 T1019 H1034 L1183 S1184	T1017-E1032 HydrophobicContact CG2-CB 4.15Å; T1018-E1032 CarbonylContact O-C 3.53Å; T1018-E1032 WeakPolarHBondContact O-CA 3.3Å; T1019-E1032 HydrophobicContact CG2-CG 3.98Å; T1019-E1032 PolarHBondContact OG1-OE1 3.43Å; E1032-H1034 WeakPolarHBondContact CB-NE2 3.45Å; E1032-H1034 IonicContact OE2-CE1 3.27Å; E1032-H1034 PolarHBondContact OE2-CE1 2.96Å; E1032-H1034 IonicContact OE2-NE2 3Å; E1032-L1183 CarbonylContact O-C 3.57Å; E1032-L1183 WeakPolarHBondContact O-CA 3.15Å; E1032-S1184 PolarHBondContact N-O 3.42Å; E1032-S1184 PolarHBondContact O-N 2.84Å
1033	L	90.9	Very high	76	Confident	2 Å²	2	52.2 Å²	52.2	1%	0.01	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	108.4	171.3	-177	65.9	0	0	0	108.8	T1017 T1018 Y1020 H1181 L1183 I1245 V1250 M1254	T1017-L1033 WeakPolarHBondContact CA-O 3Å; T1018-L1033 PolarHBondContact N-O 3.41Å; T1018-L1033 PolarHBondContact O-N 3.12Å; Y1020-L1033 HydrophobicContact CE2-CB 4.18Å; L1033-H1181 HydrophobicContact CD1-CB 4.36Å; L1033-L1183 HydrophobicContact CB-CD1 4.3Å; L1033-L1183 HydrophobicContact CD1-CB 4.48Å; L1033-L1183 HydrophobicContact CD1-CD1 4.18Å; L1033-I1245 HydrophobicContact CD1-CG1 4.46Å; L1033-V1250 HydrophobicContact CD2-CG1 4.24Å; L1033-M1254 HydrophobicContact CD2-CG 3.5Å; L1033-M1254 VanDerWaalsContact CD2-CG 3.5Å; L1033-M1254 HydrophobicContact CD2-SD 3.84Å
1034	H	91.5	Very high	77.7	Confident	0 Å²	0	49.1 Å²	49.1	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	139.1	177.4	-49.5	-74.9	0	0	0	110.4	K1014 K1016 T1017 E1032 V1036 H1181 I1182 S1184 L1240	K1014-H1034 VanDerWaalsContact CE-ND1 3.28Å; K1014-H1034 WeakPolarHBondContact CE-ND1 3.46Å; K1014-H1034 PolarHBondContact NZ-ND1 3.32Å; K1016-H1034 WeakPolarHBondContact O-CA 3Å; T1017-H1034 VanDerWaalsContact CG2-ND1 3.3Å; T1017-H1034 WeakPolarHBondContact CG2-ND1 3.29Å; T1017-H1034 PolarHBondContact OG1-ND1 2.8Å; E1032-H1034 WeakPolarHBondContact CB-NE2 3.45Å; E1032-H1034 IonicContact OE2-CE1 3.27Å; E1032-H1034 PolarHBondContact OE2-CE1 2.96Å; E1032-H1034 IonicContact OE2-NE2 3Å; H1034-V1036 HydrophobicContact CB-CG2 4.21Å; H1034-H1181 CarbonylContact O-C 3.46Å; H1034-H1181 WeakPolarHBondContact O-CA 3.24Å; H1034-I1182 HydrophobicContact CB-CB 4.4Å; H1034-I1182 PolarHBondContact CD2-O 2.98Å; H1034-I1182 PolarHBondContact N-O 2.75Å; H1034-I1182 PolarHBondContact O-N 3.32Å; H1034-S1184 PolarHBondContact CD2-OG 3.06Å; H1034-S1184 PolarHBondContact NE2-OG 2.79Å; H1034-L1240 HydrophobicContact CB-CD2 3.99Å; H1034-L1240 VanDerWaalsContact CD2-CD2 3.41Å; H1034-L1240 WeakPolarHBondContact CD2-CD2 3.5Å; H1034-L1240 WeakPolarHBondContact NE2-CD1 3.25Å
1035	V	91.8	Very high	79.7	Confident	22 Å²	22	48.3 Å²	48.3	13%	0.133	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	117.8	168.6	-178.2	0	0	0	0	106.6	V1015 K1016 M1179 F1180	V1015-V1035 HydrophobicContact CB-CG1 4.43Å; V1015-V1035 PolarHBondContact N-O 3.29Å; K1016-V1035 HydrophobicContact CB-CB 4.11Å; K1016-V1035 HydrophobicContact CB-CG2 4.26Å; K1016-V1035 PolarHBondContact N-O 2.92Å; K1016-V1035 PolarHBondContact O-N 3.3Å; V1035-M1179 HydrophobicContact CG1-CE 3.31Å; V1035-F1180 WeakPolarHBondContact CA-O 3.44Å
1036	V	90.1	Very high	81.9	Confident	1 Å²	1	39.3 Å²	39.3	1%	0.006	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	130.1	-173.9	-178.9	0	0	0	0	109.5	V1012 K1013 H1034 M1179 F1180 I1182 L1232	V1012-V1036 HydrophobicContact CG1-CG1 3.36Å; K1013-V1036 WeakPolarHBondContact O-CA 3.07Å; H1034-V1036 HydrophobicContact CB-CG2 4.21Å; V1036-M1179 CarbonylContact O-C 3.54Å; V1036-M1179 WeakPolarHBondContact O-CA 3.28Å; V1036-F1180 PolarHBondContact N-O 2.88Å; V1036-F1180 PolarHBondContact O-N 3.24Å; V1036-I1182 HydrophobicContact CB-CD1 4.23Å; V1036-I1182 HydrophobicContact CG2-CD1 3.97Å; V1036-L1232 HydrophobicContact CB-CD2 4.4Å; V1036-L1232 HydrophobicContact CG1-CD2 4.13Å; V1036-L1232 HydrophobicContact CG2-CD2 4.02Å
1037	S	89.4	Confident	83.9	Confident	21 Å²	21	36.5 Å²	36.5	15%	0.147	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	127.8	173.1	179	0	0	0	0	109.3	V1012 K1013 V1177 R1178 M1179	V1012-S1037 WeakPolarHBondContact CA-O 3.44Å; K1013-S1037 PolarHBondContact N-O 2.95Å; K1013-S1037 PolarHBondContact O-N 2.91Å; S1037-V1177 WeakPolarHBondContact OG-CG1 3.38Å; S1037-R1178 CarbonylContact C-O 3.6Å; S1037-R1178 WeakPolarHBondContact CA-O 3.41Å; S1037-M1179 VanDerWaalsContact CB-SD 3.59Å
1038	V	87.6	Confident	85.9	Confident	1 Å²	1	35 Å²	35	1%	0.006	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	113.9	173.7	-178.2	0	0	0	0	107.8	L1005 E1010 V1012 R1040 V1177 R1178 F1180	L1005-V1038 HydrophobicContact CD1-CG2 4.07Å; L1005-V1038 HydrophobicContact CD2-CG2 4.47Å; E1010-V1038 HydrophobicContact CB-CG1 4.17Å; E1010-V1038 HydrophobicContact CG-CG1 4.32Å; V1012-V1038 HydrophobicContact CG1-CG2 4.42Å; V1012-V1038 HydrophobicContact CG2-CB 4.49Å; V1012-V1038 HydrophobicContact CG2-CG1 4.15Å; V1012-V1038 HydrophobicContact CG2-CG2 4.05Å; V1038-R1040 HydrophobicContact CG1-CG 4.25Å; V1038-V1177 WeakPolarHBondContact O-CA 3.37Å; V1038-R1178 PolarHBondContact N-O 3.16Å; V1038-R1178 PolarHBondContact O-N 3.33Å; V1038-F1180 HydrophobicContact CB-CD2 4.34Å; V1038-F1180 HydrophobicContact CB-CE2 3.99Å; V1038-F1180 HydrophobicContact CG2-CD2 3.59Å; V1038-F1180 HydrophobicContact CG2-CE2 3.6Å
1039	E	87.4	Confident	87.6	Confident	34 Å²	34	37.5 Å²	37.5	16%	0.159	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	124.1	175	-174.4	-175.1	176.6	0	0	110.2	K1011 Y1142 R1176 V1177	K1011-E1039 HydrophobicContact CB-CB 4.22Å; K1011-E1039 PolarHBondContact N-O 2.92Å; K1011-E1039 PolarHBondContact O-N 2.93Å; E1039-Y1142 PolarHBondContact OE1-OH 3.49Å; E1039-R1176 CarbonylContact C-O 3.52Å; E1039-R1176 WeakPolarHBondContact CA-O 3.45Å; E1039-R1176 HydrophobicContact CG-CG 4.48Å; E1039-V1177 HydrophobicContact CB-CG2 4.25Å; E1039-V1177 HydrophobicContact CG-CG2 4.12Å
1040	R	85	Confident	88.4	Confident	38 Å²	38	37.8 Å²	37.8	14%	0.143	19%	0.187	C	C	.	.			trans	-110.9	1.8	-179.4	-61.2	-174.6	169.8	168.4	-2.8	113.3	F81 E1010 V1038 C1110 A1111 R1176	F81-R1040 VanDerWaalsContact CD1-NH2 3.31Å; E1010-R1040 HydrophobicContact CG-CG 4.21Å; E1010-R1040 IonicContact OE1-CZ 3.8Å; E1010-R1040 IonicContact OE1-NE 2.72Å; E1010-R1040 PolarHBondContact OE1-NE 2.97Å; E1010-R1040 IonicContact OE1-NH2 3.62Å; E1010-R1040 PolarHBondContact OE1-NH2 2.83Å; V1038-R1040 HydrophobicContact CG1-CG 4.25Å; R1040-C1110 CarbonylContact O-C 3.51Å; R1040-C1110 WeakPolarHBondContact O-CA 3.35Å; R1040-A1111 VanDerWaalsContact O-CB 3.31Å; R1040-A1111 WeakPolarHBondContact O-CB 3.36Å; R1040-A1111 PolarHBondContact O-N 3.36Å; R1040-R1176 PolarHBondContact N-O 3.49Å
1041	G	85.9	Confident	88.9	Confident	4 Å²	4	35.5 Å²	35.5	4%	0.041	18%	0.176	C	C	.	.			trans	-67.8	149.4	-174.5	0	0	0	0	0	112.5	P1108	G1041-P1108 CarbonylContact C-O 3.56Å; G1041-P1108 WeakPolarHBondContact CA-O 3.31Å
1042	M	88.8	Confident	89.1	Confident	8 Å²	8	38.4 Å²	38.4	4%	0.039	20%	0.197	C	C	.	.			trans	-108	117.7	173.2	-177.8	177.8	-87.3	0	0	109.4	E1046 A1047 Y1106 P1108 A1111 W1138 Y1142	M1042-E1046 HydrophobicContact CG-CB 3.94Å; M1042-A1047 HydrophobicContact CG-CB 4.01Å; M1042-A1047 HydrophobicContact SD-CB 3.65Å; M1042-Y1106 HydrophobicContact CE-CD1 3.7Å; M1042-Y1106 HydrophobicContact CE-CE1 4.22Å; M1042-Y1106 HydrophobicContact CE-CG 4.38Å; M1042-Y1106 HydrophobicContact SD-CD1 4.46Å; M1042-P1108 PolarHBondContact N-O 3.48Å; M1042-A1111 HydrophobicContact CB-CB 3.7Å; M1042-A1111 HydrophobicContact CE-CB 3.96Å; M1042-A1111 VanDerWaalsContact CE-O 3.28Å; M1042-A1111 WeakPolarHBondContact CE-O 3.43Å; M1042-A1111 HydrophobicContact CG-CB 4.44Å; M1042-W1138 HydrophobicContact CB-CZ2 4.15Å; M1042-W1138 HydrophobicContact CG-CZ2 4.15Å; M1042-W1138 PolarHBondContact O-NE1 3.08Å; M1042-W1138 HydrophobicContact SD-CH2 4.4Å; M1042-W1138 HydrophobicContact SD-CZ2 3.97Å; M1042-Y1142 WeakPolarHBondContact O-CD2 3.35Å
1043	L	90.4	Very high	88.9	Confident	69 Å²	69	41.8 Å²	41.8	36%	0.361	22%	0.216	S	C	.	.			trans	-65.3	153	173.9	-74.2	163.6	0	0	0	110.1	N1045 E1046 A1047 Y1142	L1043-N1045 PolarHBondContact O-N 2.88Å; L1043-E1046 HydrophobicContact CB-CB 4.48Å; L1043-E1046 HydrophobicContact CB-CG 4.12Å; L1043-E1046 PolarHBondContact N-OE2 2.97Å; L1043-E1046 WeakPolarHBondContact O-CB 3.35Å; L1043-E1046 PolarHBondContact O-N 3.2Å; L1043-E1046 VanDerWaalsContact O-N 3.07Å; L1043-A1047 PolarHBondContact O-N 3.04Å; L1043-Y1142 HydrophobicContact CD2-CD1 4.13Å; L1043-Y1142 HydrophobicContact CD2-CE1 3.33Å; L1043-Y1142 HydrophobicContact CD2-CE2 4.26Å; L1043-Y1142 VanDerWaalsContact CD2-CZ 3.46Å; L1043-Y1142 WeakPolarHBondContact CD2-OH 3.44Å; L1043-Y1142 HydrophobicContact CG-CE1 4.27Å; L1043-Y1142 HydrophobicContact CG-CE2 4.39Å
1044	W	91.9	Very high	88.4	Confident	23 Å²	23	43 Å²	43	9%	0.087	22%	0.223	C	C	.	.	H	α-helix	trans	-53.2	-42.6	177.2	175	-109.4	0	0	0	112.7	E1046 A1047 M1048 F1061 P1131 A1134 E1135 W1138 R1139	W1044-E1046 PolarHBondContact O-N 3.04Å; W1044-A1047 WeakPolarHBondContact O-CB 3.36Å; W1044-A1047 PolarHBondContact O-N 3.4Å; W1044-M1048 WeakPolarHBondContact O-CB 3.46Å; W1044-M1048 PolarHBondContact O-N 3.06Å; W1044-F1061 HydrophobicContact CE3-CE1 4.29Å; W1044-F1061 HydrophobicContact CH2-CD1 4.25Å; W1044-F1061 HydrophobicContact CH2-CD2 4.39Å; W1044-F1061 AromaticContact CH2-CE1 3.9Å; W1044-F1061 HydrophobicContact CH2-CE1 3.9Å; W1044-F1061 HydrophobicContact CH2-CE2 4.05Å; W1044-F1061 HydrophobicContact CH2-CG 4.48Å; W1044-F1061 AromaticContact CH2-CZ 3.79Å; W1044-F1061 HydrophobicContact CH2-CZ 3.79Å; W1044-F1061 AromaticContact CZ3-CD1 3.94Å; W1044-F1061 HydrophobicContact CZ3-CD1 3.94Å; W1044-F1061 AromaticContact CZ3-CE1 3.47Å; W1044-F1061 HydrophobicContact CZ3-CE1 3.47Å; W1044-F1061 VanDerWaalsContact CZ3-CE1 3.47Å; W1044-F1061 HydrophobicContact CZ3-CE2 4.45Å; W1044-F1061 AromaticContact CZ3-CZ 3.76Å; W1044-F1061 HydrophobicContact CZ3-CZ 3.76Å; W1044-P1131 HydrophobicContact CH2-CB 4.16Å; W1044-P1131 WeakPolarHBondContact CH2-O 3.28Å; W1044-P1131 HydrophobicContact CZ2-CB 4.13Å; W1044-P1131 WeakPolarHBondContact CZ2-O 3.38Å; W1044-A1134 HydrophobicContact CH2-CB 4.16Å; W1044-A1134 HydrophobicContact CZ3-CB 4.24Å; W1044-E1135 HydrophobicContact CD2-CB 4.1Å; W1044-E1135 HydrophobicContact CD2-CG 3.88Å; W1044-E1135 HydrophobicContact CE3-CB 4.36Å; W1044-E1135 HydrophobicContact CE3-CG 4.5Å; W1044-E1135 HydrophobicContact CG-CG 4.15Å; W1044-E1135 HydrophobicContact CH2-CB 3.82Å; W1044-E1135 HydrophobicContact CZ2-CB 3.51Å; W1044-E1135 HydrophobicContact CZ2-CG 4.01Å; W1044-E1135 HydrophobicContact CZ3-CB 4.22Å; W1044-E1135 VanDerWaalsContact NE1-CD 3.33Å; W1044-E1135 PolarHBondContact NE1-OE1 2.96Å; W1044-W1138 HydrophobicContact CE3-CB 3.65Å; W1044-W1138 AromaticContact CE3-CD1 3.94Å; W1044-W1138 HydrophobicContact CE3-CD2 4.16Å; W1044-W1138 AromaticContact CE3-CG 3.62Å; W1044-W1138 HydrophobicContact CE3-CG 3.62Å; W1044-W1138 HydrophobicContact CZ3-CB 3.92Å; W1044-W1138 HydrophobicContact CZ3-CD2 4.42Å; W1044-W1138 HydrophobicContact CZ3-CG 4.13Å; W1044-R1139 HydrophobicContact CB-CG 4.37Å
1045	N	91.7	Very high	87.6	Confident	106 Å²	106	50.7 Å²	50.7	57%	0.567	26%	0.261	S	S	*	.	H	α-helix	trans	-64.9	-40.4	179.2	-61.4	-9.7	0	0	0	111.8	L1043 A1047 M1048 D1049	L1043-N1045 PolarHBondContact O-N 2.88Å; N1045-A1047 VanDerWaalsContact C-N 3.33Å; N1045-A1047 PolarHBondContact O-N 3.14Å; N1045-M1048 PolarHBondContact O-N 2.94Å; N1045-D1049 VanDerWaalsContact O-CG 3.27Å; N1045-D1049 PolarHBondContact O-N 3.13Å
1046	E	88.5	Confident	87	Confident	67 Å²	67	51 Å²	51	31%	0.313	27%	0.268	S	S	.	.	H	α-helix	trans	-64.6	-39.2	176.1	-64.7	169.3	161.9	0	0	110.9	K1011 M1042 L1043 W1044 M1050	K1011-E1046 IonicContact NZ-OE1 3.75Å; K1011-E1046 PolarHBondContact NZ-OE1 2.82Å; K1011-E1046 IonicContact NZ-OE2 3.95Å; M1042-E1046 HydrophobicContact CG-CB 3.94Å; L1043-E1046 HydrophobicContact CB-CB 4.48Å; L1043-E1046 HydrophobicContact CB-CG 4.12Å; L1043-E1046 PolarHBondContact N-OE2 2.97Å; L1043-E1046 WeakPolarHBondContact O-CB 3.35Å; L1043-E1046 PolarHBondContact O-N 3.2Å; L1043-E1046 VanDerWaalsContact O-N 3.07Å; W1044-E1046 PolarHBondContact O-N 3.04Å; E1046-M1050 WeakPolarHBondContact O-CB 3.27Å; E1046-M1050 PolarHBondContact O-N 2.94Å
1047	A	89	Confident	86.6	Confident	0 Å²	0	58 Å²	58	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-65.5	-39.1	174.1	0	0	0	0	0	111.9	M1042 L1043 W1044 N1045 M1050 Y1051 F1061 L1086 W1138	M1042-A1047 HydrophobicContact CG-CB 4.01Å; M1042-A1047 HydrophobicContact SD-CB 3.65Å; L1043-A1047 PolarHBondContact O-N 3.04Å; W1044-A1047 WeakPolarHBondContact O-CB 3.36Å; W1044-A1047 PolarHBondContact O-N 3.4Å; N1045-A1047 VanDerWaalsContact C-N 3.33Å; N1045-A1047 PolarHBondContact O-N 3.14Å; A1047-M1050 PolarHBondContact O-N 3.42Å; A1047-Y1051 WeakPolarHBondContact O-CB 3.46Å; A1047-Y1051 PolarHBondContact O-N 3.23Å; A1047-F1061 HydrophobicContact CB-CE1 4.13Å; A1047-F1061 HydrophobicContact CB-CZ 4.21Å; A1047-L1086 HydrophobicContact CB-CD2 4.18Å; A1047-L1086 WeakPolarHBondContact O-CD2 3.42Å; A1047-W1138 HydrophobicContact CB-CH2 4.18Å; A1047-W1138 HydrophobicContact CB-CZ2 3.7Å
1048	M	90.9	Very high	86.6	Confident	62 Å²	62	59.6 Å²	59.6	31%	0.305	31%	0.312	S	S	.	.	H	α-helix	trans	-67.6	-43	177	-168.3	65.4	-172.1	0	0	111.7	W1044 N1045 M1050 Y1051 C1052 F1061 P1131	W1044-M1048 WeakPolarHBondContact O-CB 3.46Å; W1044-M1048 PolarHBondContact O-N 3.06Å; N1045-M1048 PolarHBondContact O-N 2.94Å; M1048-M1050 VanDerWaalsContact C-N 3.3Å; M1048-M1050 PolarHBondContact O-N 3.15Å; M1048-Y1051 HydrophobicContact CE-CD1 4.04Å; M1048-Y1051 HydrophobicContact CE-CE1 4.43Å; M1048-Y1051 WeakPolarHBondContact O-CB 3.46Å; M1048-Y1051 PolarHBondContact O-N 3.42Å; M1048-Y1051 HydrophobicContact SD-CD1 3.94Å; M1048-C1052 PolarHBondContact O-N 2.94Å; M1048-C1052 PolarHBondContact O-SG 3.4Å; M1048-C1052 VanDerWaalsContact O-SG 3.34Å; M1048-F1061 HydrophobicContact SD-CE2 4.29Å; M1048-P1131 HydrophobicContact SD-CB 4.35Å
1049	D	88.9	Confident	86.7	Confident	103 Å²	103	59.6 Å²	59.6	55%	0.551	31%	0.312	S	S	*	.	H	α-helix	trans	-59.6	-43.9	174.2	-70	-22.5	0	0	0	110.7	N1045 Y1051 C1052 L1053	N1045-D1049 VanDerWaalsContact O-CG 3.27Å; N1045-D1049 PolarHBondContact O-N 3.13Å; D1049-Y1051 VanDerWaalsContact C-N 3.33Å; D1049-Y1051 PolarHBondContact O-N 3.13Å; D1049-C1052 PolarHBondContact O-N 2.96Å; D1049-L1053 VanDerWaalsContact O-CG 3.29Å; D1049-L1053 WeakPolarHBondContact O-CG 3.45Å; D1049-L1053 PolarHBondContact O-N 3.47Å
1050	M	85.6	Confident	86.9	Confident	49 Å²	49	58 Å²	58	24%	0.241	31%	0.305	C	S	.	.	H	α-helix	trans	-61.9	-40.6	175.5	-169.5	62.7	64.9	0	0	112.2	E1046 A1047 M1048 L1053 N1054 L1086 Y1106	E1046-M1050 WeakPolarHBondContact O-CB 3.27Å; E1046-M1050 PolarHBondContact O-N 2.94Å; A1047-M1050 PolarHBondContact O-N 3.42Å; M1048-M1050 VanDerWaalsContact C-N 3.3Å; M1048-M1050 PolarHBondContact O-N 3.15Å; M1050-L1053 PolarHBondContact O-N 2.95Å; M1050-N1054 PolarHBondContact O-N 3.38Å; M1050-N1054 PolarHBondContact O-ND2 3Å; M1050-L1086 HydrophobicContact CB-CD2 4.06Å; M1050-L1086 HydrophobicContact CG-CD2 4.18Å; M1050-Y1106 HydrophobicContact CG-CE2 4.45Å
1051	Y	88.3	Confident	87.3	Confident	66 Å²	66	56.3 Å²	56.3	26%	0.259	30%	0.298	S	S	.	.	H	α-helix	trans	-63.7	-44.7	173.9	174.4	-121.8	0	0	0	111.4	A1047 M1048 D1049 L1053 N1054 G1060 F1061 L1086 P1131	A1047-Y1051 WeakPolarHBondContact O-CB 3.46Å; A1047-Y1051 PolarHBondContact O-N 3.23Å; M1048-Y1051 HydrophobicContact CE-CD1 4.04Å; M1048-Y1051 HydrophobicContact CE-CE1 4.43Å; M1048-Y1051 WeakPolarHBondContact O-CB 3.46Å; M1048-Y1051 PolarHBondContact O-N 3.42Å; M1048-Y1051 HydrophobicContact SD-CD1 3.94Å; D1049-Y1051 VanDerWaalsContact C-N 3.33Å; D1049-Y1051 PolarHBondContact O-N 3.13Å; Y1051-L1053 VanDerWaalsContact C-N 3.31Å; Y1051-L1053 PolarHBondContact O-N 2.92Å; Y1051-N1054 CarbonylContact O-C 3.59Å; Y1051-N1054 PolarHBondContact O-N 3.15Å; Y1051-N1054 VanDerWaalsContact O-N 3.09Å; Y1051-G1060 VanDerWaalsContact CE2-CA 3.47Å; Y1051-F1061 HydrophobicContact CD1-CE2 4Å; Y1051-F1061 AromaticContact CG-CE2 3.96Å; Y1051-F1061 HydrophobicContact CG-CE2 3.96Å; Y1051-L1086 HydrophobicContact CD2-CD1 4.29Å; Y1051-P1131 HydrophobicContact CE1-CG 4.01Å
1052	C	88.4	Confident	87.7	Confident	74 Å²	74	56.2 Å²	56.2	50%	0.5	30%	0.297	S	S	.	.	H	α-helix	trans	-65.3	-31.8	178.2	-70.3	0	0	0	0	113.5	M1048 D1049 N1054	M1048-C1052 PolarHBondContact O-N 2.94Å; M1048-C1052 PolarHBondContact O-SG 3.4Å; M1048-C1052 VanDerWaalsContact O-SG 3.34Å; D1049-C1052 PolarHBondContact O-N 2.96Å; C1052-N1054 PolarHBondContact O-N 2.83Å
1053	L	84.2	Confident	87.8	Confident	128 Å²	128	56.6 Å²	56.6	67%	0.67	30%	0.299	S	S	*	.	H	α-helix	trans	-72	-19.2	174.9	-72.1	166.3	0	0	0	112.8	D1049 M1050 Y1051	D1049-L1053 VanDerWaalsContact O-CG 3.29Å; D1049-L1053 WeakPolarHBondContact O-CG 3.45Å; D1049-L1053 PolarHBondContact O-N 3.47Å; M1050-L1053 PolarHBondContact O-N 2.95Å; Y1051-L1053 VanDerWaalsContact C-N 3.31Å; Y1051-L1053 PolarHBondContact O-N 2.92Å
1054	N	81.2	Confident	87.5	Confident	28 Å²	28	54 Å²	54	15%	0.15	29%	0.287	C	S	.	.			trans	-115.3	103.1	-175.4	-72.1	-63.1	0	0	0	111.4	M1050 Y1051 C1052 G1056 C1088	M1050-N1054 PolarHBondContact O-N 3.38Å; M1050-N1054 PolarHBondContact O-ND2 3Å; Y1051-N1054 CarbonylContact O-C 3.59Å; Y1051-N1054 PolarHBondContact O-N 3.15Å; Y1051-N1054 VanDerWaalsContact O-N 3.09Å; C1052-N1054 PolarHBondContact O-N 2.83Å; N1054-G1056 PolarHBondContact O-N 3.08Å; N1054-C1088 HydrophobicContact CB-CB 4.19Å
1055	M	73.7	Confident	86.6	Confident	161 Å²	161	54.3 Å²	54.3	79%	0.793	29%	0.291	S	S	*	.			trans	-97.4	29.6	-174	-61.6	-77.4	-81.8	0	0	113.6
1056	G	79.8	Confident	85.1	Confident	27 Å²	27	53.6 Å²	53.6	28%	0.278	29%	0.29	S	S	.	.			trans	-76.1	148.6	177.4	0	0	0	0	0	112.9	N1054 D1058 D1059	N1054-G1056 PolarHBondContact O-N 3.08Å; G1056-D1058 VanDerWaalsContact C-N 3.3Å; G1056-D1058 PolarHBondContact O-N 2.94Å; G1056-D1059 WeakPolarHBondContact CA-OD2 3.2Å; G1056-D1059 PolarHBondContact N-OD2 2.76Å; G1056-D1059 WeakPolarHBondContact O-CB 3.17Å; G1056-D1059 PolarHBondContact O-N 3.41Å
1057	D	82.8	Confident	83.2	Confident	148 Å²	148	52.8 Å²	52.8	79%	0.791	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.6	-37.7	-176.4	-68	-35.6	0	0	0	113.2	R1128	D1057-R1128 PolarHBondContact O-NH1 3.47Å; D1057-R1128 PolarHBondContact O-NH2 3.01Å
1058	D	88.5	Confident	81	Confident	55 Å²	55	56.6 Å²	56.6	29%	0.294	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.8	-1.7	176.4	-74.6	-67.8	0	0	0	113.1	G1056 Y1062 F1103 L1119 K1123	G1056-D1058 VanDerWaalsContact C-N 3.3Å; G1056-D1058 PolarHBondContact O-N 2.94Å; D1058-Y1062 PolarHBondContact O-OH 2.79Å; D1058-Y1062 VanDerWaalsContact O-OH 3.12Å; D1058-F1103 HydrophobicContact CB-CE1 3.88Å; D1058-F1103 HydrophobicContact CB-CZ 3.73Å; D1058-L1119 HydrophobicContact CB-CD1 4.28Å; D1058-L1119 HydrophobicContact CB-CD2 3.85Å; D1058-L1119 WeakPolarHBondContact OD1-CD2 3.3Å; D1058-L1119 VanDerWaalsContact OD2-CD2 3.28Å; D1058-L1119 WeakPolarHBondContact OD2-CD2 3.42Å; D1058-K1123 IonicContact OD1-NZ 3.94Å; D1058-K1123 PolarHBondContact OD1-NZ 3.49Å
1059	D	89	Confident	78.5	Confident	1 Å²	1	63.9 Å²	63.9	1%	0.005	34%	0.335	C	S	.	.			trans	-70	140.9	177	-63.6	-17.8	0	0	0	109.9	G1056 I1087 C1088 A1089 F1103 R1128	G1056-D1059 WeakPolarHBondContact CA-OD2 3.2Å; G1056-D1059 PolarHBondContact N-OD2 2.76Å; G1056-D1059 WeakPolarHBondContact O-CB 3.17Å; G1056-D1059 PolarHBondContact O-N 3.41Å; D1059-I1087 WeakPolarHBondContact CA-O 3.44Å; D1059-C1088 WeakPolarHBondContact OD1-CA 3.27Å; D1059-A1089 WeakPolarHBondContact OD1-CB 3.39Å; D1059-A1089 PolarHBondContact OD1-N 3.2Å; D1059-F1103 WeakPolarHBondContact OD1-CE1 3.5Å; D1059-R1128 PolarHBondContact O-NH2 2.81Å
1060	G	92.3	Very high	76	Confident	1 Å²	1	63.1 Å²	63.1	1%	0.01	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	144.8	-165.7	175.7	0	0	0	0	0	114.9	Y1051 Y1062 I1087	Y1051-G1060 VanDerWaalsContact CE2-CA 3.47Å; G1060-Y1062 WeakPolarHBondContact O-CD2 3.46Å; G1060-I1087 PolarHBondContact N-O 2.86Å; G1060-I1087 PolarHBondContact O-N 2.82Å
1061	F	94.1	Very high	73.7	Confident	2 Å²	2	65.8 Å²	65.8	1%	0.009	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	140.3	-173	-65	-86	0	0	0	112.3	W1044 A1047 M1048 Y1051 I1085 L1086 V1129 P1131 A1134 W1138	W1044-F1061 HydrophobicContact CE3-CE1 4.29Å; W1044-F1061 HydrophobicContact CH2-CD1 4.25Å; W1044-F1061 HydrophobicContact CH2-CD2 4.39Å; W1044-F1061 AromaticContact CH2-CE1 3.9Å; W1044-F1061 HydrophobicContact CH2-CE1 3.9Å; W1044-F1061 HydrophobicContact CH2-CE2 4.05Å; W1044-F1061 HydrophobicContact CH2-CG 4.48Å; W1044-F1061 AromaticContact CH2-CZ 3.79Å; W1044-F1061 HydrophobicContact CH2-CZ 3.79Å; W1044-F1061 AromaticContact CZ3-CD1 3.94Å; W1044-F1061 HydrophobicContact CZ3-CD1 3.94Å; W1044-F1061 AromaticContact CZ3-CE1 3.47Å; W1044-F1061 HydrophobicContact CZ3-CE1 3.47Å; W1044-F1061 VanDerWaalsContact CZ3-CE1 3.47Å; W1044-F1061 HydrophobicContact CZ3-CE2 4.45Å; W1044-F1061 AromaticContact CZ3-CZ 3.76Å; W1044-F1061 HydrophobicContact CZ3-CZ 3.76Å; A1047-F1061 HydrophobicContact CB-CE1 4.13Å; A1047-F1061 HydrophobicContact CB-CZ 4.21Å; M1048-F1061 HydrophobicContact SD-CE2 4.29Å; Y1051-F1061 HydrophobicContact CD1-CE2 4Å; Y1051-F1061 AromaticContact CG-CE2 3.96Å; Y1051-F1061 HydrophobicContact CG-CE2 3.96Å; F1061-I1085 CarbonylContact C-O 3.59Å; F1061-I1085 WeakPolarHBondContact CA-O 3.26Å; F1061-L1086 HydrophobicContact CD1-CB 3.96Å; F1061-L1086 HydrophobicContact CD1-CD1 4.36Å; F1061-L1086 HydrophobicContact CD2-CD1 4.48Å; F1061-L1086 HydrophobicContact CE1-CB 3.84Å; F1061-L1086 HydrophobicContact CE1-CD1 4.18Å; F1061-L1086 HydrophobicContact CE1-CG 4.41Å; F1061-L1086 HydrophobicContact CE2-CD1 4.3Å; F1061-L1086 HydrophobicContact CZ-CD1 4.16Å; F1061-V1129 HydrophobicContact CB-CG2 4.31Å; F1061-V1129 PolarHBondContact O-N 3.46Å; F1061-P1131 HydrophobicContact CD2-CB 4.09Å; F1061-P1131 HydrophobicContact CD2-CG 4Å; F1061-P1131 HydrophobicContact CE2-CB 4.19Å; F1061-P1131 HydrophobicContact CE2-CG 4.26Å; F1061-A1134 HydrophobicContact CB-CB 3.61Å; F1061-A1134 HydrophobicContact CD1-CB 4.07Å; F1061-A1134 HydrophobicContact CG-CB 3.93Å; F1061-W1138 HydrophobicContact CD1-CE3 4.3Å; F1061-W1138 HydrophobicContact CD1-CZ3 4.35Å; F1061-W1138 HydrophobicContact CE1-CE3 4.21Å; F1061-W1138 HydrophobicContact CE1-CZ3 4.24Å
1062	Y	93.3	Very high	71.6	Confident	2 Å²	2	70.8 Å²	70.8	1%	0.008	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	147.1	-179.3	-69.9	-115	0	0	0	110.9	D1058 G1060 A1084 I1085 I1087 I1122 R1127 R1128	D1058-Y1062 PolarHBondContact O-OH 2.79Å; D1058-Y1062 VanDerWaalsContact O-OH 3.12Å; G1060-Y1062 WeakPolarHBondContact O-CD2 3.46Å; Y1062-A1084 CarbonylContact O-C 3.56Å; Y1062-A1084 WeakPolarHBondContact O-CA 3.38Å; Y1062-I1085 PolarHBondContact N-O 2.99Å; Y1062-I1085 PolarHBondContact O-N 3.39Å; Y1062-I1087 HydrophobicContact CD2-CD1 3.75Å; Y1062-I1087 HydrophobicContact CD2-CG1 3.74Å; Y1062-I1087 HydrophobicContact CD2-CG2 4.44Å; Y1062-I1087 HydrophobicContact CE1-CD1 4.19Å; Y1062-I1087 HydrophobicContact CE2-CD1 3.22Å; Y1062-I1087 HydrophobicContact CE2-CG1 3.42Å; Y1062-I1087 VanDerWaalsContact CE2-CG1 3.42Å; Y1062-I1087 HydrophobicContact CG-CD1 4.48Å; Y1062-I1087 VanDerWaalsContact CZ-CD1 3.48Å; Y1062-I1122 HydrophobicContact CD1-CG2 4.47Å; Y1062-R1127 CarbonylContact C-O 3.46Å; Y1062-R1127 WeakPolarHBondContact CA-O 3.07Å; Y1062-R1127 WeakPolarHBondContact CB-O 3.15Å; Y1062-R1127 VanDerWaalsContact CD1-C 3.46Å; Y1062-R1128 HydrophobicContact CD1-CB 3.98Å; Y1062-R1128 VanDerWaalsContact CD1-N 3.28Å; Y1062-R1128 HydrophobicContact CD2-CG 4.38Å; Y1062-R1128 HydrophobicContact CE1-CB 3.6Å; Y1062-R1128 HydrophobicContact CE1-CG 4.22Å; Y1062-R1128 HydrophobicContact CE2-CB 4.16Å; Y1062-R1128 HydrophobicContact CE2-CG 3.86Å; Y1062-R1128 HydrophobicContact CG-CB 4.4Å
1063	I	90.8	Very high	69.2	Low	17 Å²	17	76.7 Å²	76.7	9%	0.087	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	141.3	178	-67.4	167.8	0	0	0	110.4	P1082 T1083 A1084 Y1126 R1127 V1129 I1137	I1063-P1082 HydrophobicContact CG2-CB 3.93Å; I1063-T1083 CarbonylContact C-O 3.58Å; I1063-T1083 VanDerWaalsContact CA-O 3.3Å; I1063-T1083 WeakPolarHBondContact CA-O 3.5Å; I1063-A1084 HydrophobicContact CG1-CB 4.37Å; I1063-Y1126 CarbonylContact O-C 3.57Å; I1063-Y1126 VanDerWaalsContact O-CA 3.25Å; I1063-Y1126 WeakPolarHBondContact O-CA 3.43Å; I1063-R1127 PolarHBondContact N-O 2.7Å; I1063-R1127 PolarHBondContact O-N 3.06Å; I1063-V1129 HydrophobicContact CB-CG1 4.34Å; I1063-V1129 HydrophobicContact CB-CG2 4.47Å; I1063-V1129 HydrophobicContact CD1-CB 4.16Å; I1063-V1129 HydrophobicContact CD1-CG1 3.9Å; I1063-V1129 HydrophobicContact CD1-CG2 3.58Å; I1063-V1129 HydrophobicContact CG1-CG1 4.29Å; I1063-V1129 HydrophobicContact CG1-CG2 3.69Å; I1063-I1137 HydrophobicContact CD1-CD1 3.47Å; I1063-I1137 VanDerWaalsContact CD1-CD1 3.47Å; I1063-I1137 HydrophobicContact CG1-CD1 4.07Å; I1063-I1137 HydrophobicContact CG2-CD1 4.27Å
1064	S	84.5	Confident	66.9	Low	15 Å²	15	72.8 Å²	72.8	11%	0.105	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-55.5	134.6	-179.8	60.1	0	0	0	0	113.3	T1083 R1125	S1064-T1083 PolarHBondContact N-O 2.87Å; S1064-T1083 PolarHBondContact OG-N 3.36Å; S1064-R1125 CarbonylContact C-O 3.55Å; S1064-R1125 VanDerWaalsContact CA-O 3.31Å; S1064-R1125 WeakPolarHBondContact CA-O 3.49Å
1065	T	72.5	Confident	64.8	Low	29 Å²	29	76.9 Å²	76.9	18%	0.178	41%	0.407	C	S	.	.	G	3₁₀ helix	trans	-79.4	-20.5	-179.7	53.5	0	0	0	0	113.9	C1067 L1068 R1125 R1127	T1065-C1067 PolarHBondContact O-N 3Å; T1065-L1068 PolarHBondContact O-N 3.25Å; T1065-R1125 PolarHBondContact N-O 3.18Å; T1065-R1125 PolarHBondContact OG1-O 3.13Å; T1065-R1125 VanDerWaalsContact OG1-O 3.12Å; T1065-R1127 HydrophobicContact CG2-CB 4.28Å
1066	V	59.7	Low	63.1	Low	91 Å²	91	78.5 Å²	78.5	55%	0.552	41%	0.41	S	S	*	.	G	3₁₀ helix	trans	-56.1	-26.6	-176.2	179.2	0	0	0	0	112.6	L1068 L1080	V1066-L1068 VanDerWaalsContact C-N 3.35Å; V1066-L1068 PolarHBondContact O-N 3.44Å; V1066-L1080 HydrophobicContact CG1-CD1 4.14Å
1067	C	49.8	Very low	61.2	Low	49 Å²	49	80.2 Å²	80.2	33%	0.331	41%	0.413	S	S	.	.	G	3₁₀ helix	trans	-79	-12.8	177.9	-150.3	0	0	0	0	114.2	T1065 L1080 P1082	T1065-C1067 PolarHBondContact O-N 3Å; C1067-L1080 PolarHBondContact SG-O 3.31Å; C1067-L1080 VanDerWaalsContact SG-O 3.33Å; C1067-P1082 HydrophobicContact CB-CB 4.43Å
1068	L	41.9	Very low	59.6	Low	81 Å²	81	77.7 Å²	77.7	42%	0.424	41%	0.405	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.1	-28.9	-172.7	-75.1	165	0	0	0	114.4	T1065 V1066 I1070 V1071 R1127	T1065-L1068 PolarHBondContact O-N 3.25Å; V1066-L1068 VanDerWaalsContact C-N 3.35Å; V1066-L1068 PolarHBondContact O-N 3.44Å; L1068-I1070 PolarHBondContact O-N 3.09Å; L1068-V1071 PolarHBondContact O-N 2.75Å; L1068-V1071 VanDerWaalsContact O-N 3.17Å; L1068-R1127 VanDerWaalsContact CD1-NH1 3.3Å
1069	R	38.4	Very low	58	Low	214 Å²	214	82.1 Å²	82.1	81%	0.808	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.4	-18.4	-175.9	-78.1	-169.8	-178	176.8	1.8	114.3
1070	I	37.8	Very low	56.9	Low	88 Å²	88	85 Å²	85	45%	0.451	43%	0.432	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.7	-15.4	178	-58.5	177.9	0	0	0	111.8	L1068 Q1072 F1073 A1074 N1077	L1068-I1070 PolarHBondContact O-N 3.09Å; I1070-Q1072 PolarHBondContact O-N 3.46Å; I1070-F1073 PolarHBondContact O-N 3.32Å; I1070-A1074 PolarHBondContact O-N 2.92Å; I1070-N1077 HydrophobicContact CG2-CB 4.47Å
1071	V	36	Very low	56.1	Low	105 Å²	105	87.3 Å²	87.3	64%	0.636	44%	0.442	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70	-18.6	-173.3	-169.2	0	0	0	0	112.7	L1068	L1068-V1071 PolarHBondContact O-N 2.75Å; L1068-V1071 VanDerWaalsContact O-N 3.17Å
1072	Q	44.7	Very low	55.5	Low	171 Å²	171	89 Å²	89	80%	0.799	45%	0.453	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.3	-17.6	179.9	-88.4	-177.4	-31.1	0	0	115.6	I1070	I1070-Q1072 PolarHBondContact O-N 3.46Å
1073	F	38.6	Very low	55.2	Low	197 Å²	197	89.2 Å²	89.2	86%	0.864	46%	0.455	S	S	*	.	T	Hydrogen-bonded Turn	trans	-133.1	-1.3	-174.9	-76.4	-76.9	0	0	0	116.9	I1070	I1070-F1073 PolarHBondContact O-N 3.32Å
1074	A	35.2	Very low	55.2	Low	46 Å²	46	88.4 Å²	88.4	38%	0.38	45%	0.451	S	S	.	.			trans	-156.4	104.5	167.1	0	0	0	0	0	111.1	I1070 F1076	I1070-A1074 PolarHBondContact O-N 2.92Å; A1074-F1076 PolarHBondContact O-N 2.88Å
1075	P	37.2	Very low	55.5	Low	115 Å²	115	87.7 Å²	87.7	75%	0.747	45%	0.446	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67	131.7	168.5	29.8	-29.2	0	0	0	107.2
1076	F	39	Very low	56.5	Low	194 Å²	194	86.3 Å²	86.3	85%	0.851	44%	0.437	S	S	*	.	T	Hydrogen-bonded Turn	trans	90.9	41.4	-176.8	-62.8	-86.1	0	0	0	118.7	A1074 P1078	A1074-F1076 PolarHBondContact O-N 2.88Å; F1076-P1078 VanDerWaalsContact C-CD 3.47Å
1077	N	39	Very low	58	Low	63 Å²	63	82 Å²	82	34%	0.337	41%	0.411	S	S	.	.			trans	-132.1	61.9	148.6	-124.4	-5.1	0	0	0	114	I1070 R1079	I1070-N1077 HydrophobicContact CG2-CB 4.47Å; N1077-R1079 HydrophobicContact CB-CG 4.38Å; N1077-R1079 PolarHBondContact ND2-NE 2.9Å; N1077-R1079 VanDerWaalsContact ND2-NE 3.15Å; N1077-R1079 PolarHBondContact ND2-NH2 3.34Å; N1077-R1079 VanDerWaalsContact ND2-NH2 3.1Å; N1077-R1079 PolarHBondContact O-N 2.98Å; N1077-R1079 WeakPolarHBondContact OD1-CD 3.48Å; N1077-R1079 WeakPolarHBondContact OD1-CG 3.37Å; N1077-R1079 PolarHBondContact OD1-NE 3.3Å; N1077-R1079 PolarHBondContact OD1-NH2 2.86Å
1078	P	48.9	Very low	59.9	Low	96 Å²	96	79.8 Å²	79.8	62%	0.623	40%	0.396	S	S	*	.			trans	-74.5	60.3	172.2	35.4	-35	0	0	0	109.5	F1076 L1080	F1076-P1078 VanDerWaalsContact C-CD 3.47Å; P1078-L1080 VanDerWaalsContact C-N 3.31Å; P1078-L1080 PolarHBondContact O-N 2.82Å
1079	R	56.3	Low	61.9	Low	148 Å²	148	76.8 Å²	76.8	56%	0.558	38%	0.383	S	S	*	.			trans	-73.3	-21.1	-170.6	-71.1	-170.3	176.7	162.4	6.5	113.6	N1077 V1158	N1077-R1079 HydrophobicContact CB-CG 4.38Å; N1077-R1079 PolarHBondContact ND2-NE 2.9Å; N1077-R1079 VanDerWaalsContact ND2-NE 3.15Å; N1077-R1079 PolarHBondContact ND2-NH2 3.34Å; N1077-R1079 VanDerWaalsContact ND2-NH2 3.1Å; N1077-R1079 PolarHBondContact O-N 2.98Å; N1077-R1079 WeakPolarHBondContact OD1-CD 3.48Å; N1077-R1079 WeakPolarHBondContact OD1-CG 3.37Å; N1077-R1079 PolarHBondContact OD1-NE 3.3Å; N1077-R1079 PolarHBondContact OD1-NH2 2.86Å; R1079-V1158 HydrophobicContact CB-CG2 4.33Å; R1079-V1158 HydrophobicContact CG-CG2 4.33Å
1080	L	64.1	Low	64	Low	60 Å²	60	66.7 Å²	66.7	31%	0.314	35%	0.345	S	S	.	.	S	Bend	trans	-130	125	-170.8	-70.1	157.1	0	0	0	111.4	V1066 C1067 P1078 W1154 Y1155	V1066-L1080 HydrophobicContact CG1-CD1 4.14Å; C1067-L1080 PolarHBondContact SG-O 3.31Å; C1067-L1080 VanDerWaalsContact SG-O 3.33Å; P1078-L1080 VanDerWaalsContact C-N 3.31Å; P1078-L1080 PolarHBondContact O-N 2.82Å; L1080-W1154 WeakPolarHBondContact CA-O 3.25Å; L1080-W1154 HydrophobicContact CD2-CB 3.8Å; L1080-Y1155 HydrophobicContact CD2-CD1 4.05Å; L1080-Y1155 HydrophobicContact CD2-CE1 3.75Å; L1080-Y1155 HydrophobicContact CD2-CE2 4.49Å
1081	K	76.3	Confident	65.7	Low	51 Å²	51	70.5 Å²	70.5	22%	0.222	35%	0.354	C	S	.	.			trans	-65.2	143.1	173.5	-72.8	-167.2	175.6	-174.2	0	111.6	E1140 Y1153 W1154 W1156	K1081-E1140 IonicContact NZ-OE1 3.77Å; K1081-E1140 PolarHBondContact NZ-OE1 3Å; K1081-Y1153 HydrophobicContact CB-CD1 4.4Å; K1081-Y1153 HydrophobicContact CB-CE1 3.79Å; K1081-Y1153 HydrophobicContact CD-CD2 4.22Å; K1081-Y1153 HydrophobicContact CD-CE1 4.46Å; K1081-Y1153 HydrophobicContact CD-CE2 3.77Å; K1081-W1154 PolarHBondContact N-O 3.49Å; K1081-W1156 HydrophobicContact CD-CB 4.44Å
1082	P	82.2	Confident	67.4	Low	36 Å²	36	69.5 Å²	69.5	23%	0.234	37%	0.365	C	S	.	.			trans	-67.9	153	178.1	29.5	-35.1	0	0	0	112.1	I1063 C1067 I1137 Y1153	I1063-P1082 HydrophobicContact CG2-CB 3.93Å; C1067-P1082 HydrophobicContact CB-CB 4.43Å; P1082-I1137 HydrophobicContact CB-CD1 4.21Å; P1082-I1137 HydrophobicContact CG-CD1 3.9Å; P1082-I1137 HydrophobicContact CG-CG1 4.29Å; P1082-I1137 HydrophobicContact CG-CG2 4.47Å; P1082-I1137 WeakPolarHBondContact O-CG2 3.22Å; P1082-Y1153 PolarHBondContact O-OH 3.24Å
1083	T	86.1	Confident	68.5	Low	8 Å²	8	67 Å²	67	5%	0.049	35%	0.348	C	S	.	.			trans	-115.2	128	177.5	-63.5	0	0	0	0	110.9	I1063 S1064 I1085 Y1126 M1141 W1154	I1063-T1083 CarbonylContact C-O 3.58Å; I1063-T1083 VanDerWaalsContact CA-O 3.3Å; I1063-T1083 WeakPolarHBondContact CA-O 3.5Å; S1064-T1083 PolarHBondContact N-O 2.87Å; S1064-T1083 PolarHBondContact OG-N 3.36Å; T1083-I1085 HydrophobicContact CG2-CG2 4.27Å; T1083-Y1126 HydrophobicContact CG2-CE1 4.23Å; T1083-M1141 HydrophobicContact CG2-CE 3.74Å; T1083-M1141 HydrophobicContact CG2-SD 3.94Å; T1083-W1154 PolarHBondContact OG1-NE1 2.98Å
1084	A	90.8	Very high	70.2	Confident	0 Å²	0	64.6 Å²	64.6	0%	0	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	139.8	173.8	0	0	0	0	0	111.3	Y1062 I1063 I1137 W1138 M1141	Y1062-A1084 CarbonylContact O-C 3.56Å; Y1062-A1084 WeakPolarHBondContact O-CA 3.38Å; I1063-A1084 HydrophobicContact CG1-CB 4.37Å; A1084-I1137 HydrophobicContact CB-CB 4.06Å; A1084-I1137 HydrophobicContact CB-CG2 3.72Å; A1084-W1138 HydrophobicContact CB-CE3 4.19Å; A1084-M1141 PolarHBondContact N-SD 2.88Å; A1084-M1141 VanDerWaalsContact N-SD 3.45Å
1085	I	91.8	Very high	71.7	Confident	0 Å²	0	63.5 Å²	63.5	0%	0	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	156.2	175.4	66	172.8	0	0	0	110.1	F1061 Y1062 T1083 I1087 V1105 Y1106 K1107 I1122 Y1126	F1061-I1085 CarbonylContact C-O 3.59Å; F1061-I1085 WeakPolarHBondContact CA-O 3.26Å; Y1062-I1085 PolarHBondContact N-O 2.99Å; Y1062-I1085 PolarHBondContact O-N 3.39Å; T1083-I1085 HydrophobicContact CG2-CG2 4.27Å; I1085-I1087 HydrophobicContact CD1-CG2 3.95Å; I1085-I1087 HydrophobicContact CG1-CG2 4.34Å; I1085-V1105 HydrophobicContact CB-CG1 4.21Å; I1085-V1105 HydrophobicContact CD1-CG1 4.01Å; I1085-V1105 HydrophobicContact CG2-CG1 4.35Å; I1085-Y1106 WeakPolarHBondContact CA-O 3.18Å; I1085-K1107 HydrophobicContact CG2-CG 4.11Å; I1085-I1122 HydrophobicContact CD1-CG2 4.13Å; I1085-Y1126 HydrophobicContact CD1-CD1 3.64Å; I1085-Y1126 HydrophobicContact CD1-CD2 3.66Å; I1085-Y1126 HydrophobicContact CD1-CE1 3.83Å; I1085-Y1126 HydrophobicContact CD1-CE2 3.84Å; I1085-Y1126 HydrophobicContact CD1-CG 3.59Å; I1085-Y1126 HydrophobicContact CG1-CD1 3.86Å; I1085-Y1126 HydrophobicContact CG1-CE1 4.09Å; I1085-Y1126 HydrophobicContact CG1-CG 4.22Å; I1085-Y1126 HydrophobicContact CG2-CD1 4.36Å; I1085-Y1126 HydrophobicContact CG2-CE1 3.76Å
1086	L	91.9	Very high	73	Confident	0 Å²	0	65.3 Å²	65.3	0%	0	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	135.8	168.8	163.8	70	0	0	0	107.4	A1047 M1050 Y1051 F1061 Y1106 W1138	A1047-L1086 HydrophobicContact CB-CD2 4.18Å; A1047-L1086 WeakPolarHBondContact O-CD2 3.42Å; M1050-L1086 HydrophobicContact CB-CD2 4.06Å; M1050-L1086 HydrophobicContact CG-CD2 4.18Å; Y1051-L1086 HydrophobicContact CD2-CD1 4.29Å; F1061-L1086 HydrophobicContact CD1-CB 3.96Å; F1061-L1086 HydrophobicContact CD1-CD1 4.36Å; F1061-L1086 HydrophobicContact CD2-CD1 4.48Å; F1061-L1086 HydrophobicContact CE1-CB 3.84Å; F1061-L1086 HydrophobicContact CE1-CD1 4.18Å; F1061-L1086 HydrophobicContact CE1-CG 4.41Å; F1061-L1086 HydrophobicContact CE2-CD1 4.3Å; F1061-L1086 HydrophobicContact CZ-CD1 4.16Å; L1086-Y1106 HydrophobicContact CD2-CD2 4.25Å; L1086-Y1106 HydrophobicContact CD2-CG 4.44Å; L1086-Y1106 HydrophobicContact CG-CD2 4.17Å; L1086-Y1106 PolarHBondContact N-O 3.22Å; L1086-Y1106 WeakPolarHBondContact O-CB 3.41Å; L1086-Y1106 PolarHBondContact O-N 2.93Å; L1086-W1138 HydrophobicContact CB-CH2 4.03Å; L1086-W1138 HydrophobicContact CB-CZ3 4Å
1087	I	91.7	Very high	74.4	Confident	0 Å²	0	66.1 Å²	66.1	0%	0	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	139.8	174.2	73.1	175.6	0	0	0	110.9	D1059 G1060 Y1062 I1085 F1103 F1104 V1105 L1119 I1122	D1059-I1087 WeakPolarHBondContact CA-O 3.44Å; G1060-I1087 PolarHBondContact N-O 2.86Å; G1060-I1087 PolarHBondContact O-N 2.82Å; Y1062-I1087 HydrophobicContact CD2-CD1 3.75Å; Y1062-I1087 HydrophobicContact CD2-CG1 3.74Å; Y1062-I1087 HydrophobicContact CD2-CG2 4.44Å; Y1062-I1087 HydrophobicContact CE1-CD1 4.19Å; Y1062-I1087 HydrophobicContact CE2-CD1 3.22Å; Y1062-I1087 HydrophobicContact CE2-CG1 3.42Å; Y1062-I1087 VanDerWaalsContact CE2-CG1 3.42Å; Y1062-I1087 HydrophobicContact CG-CD1 4.48Å; Y1062-I1087 VanDerWaalsContact CZ-CD1 3.48Å; I1085-I1087 HydrophobicContact CD1-CG2 3.95Å; I1085-I1087 HydrophobicContact CG1-CG2 4.34Å; I1087-F1103 HydrophobicContact CB-CB 4.37Å; I1087-F1103 HydrophobicContact CB-CD1 4.34Å; I1087-F1103 HydrophobicContact CD1-CD1 4.06Å; I1087-F1103 HydrophobicContact CD1-CG 4.44Å; I1087-F1103 HydrophobicContact CG1-CD1 4.14Å; I1087-F1104 VanDerWaalsContact CA-O 3.27Å; I1087-F1104 WeakPolarHBondContact CA-O 3.36Å; I1087-V1105 HydrophobicContact CG2-CG2 4.23Å; I1087-L1119 HydrophobicContact CD1-CD1 3.68Å; I1087-I1122 HydrophobicContact CD1-CD1 4.4Å; I1087-I1122 HydrophobicContact CD1-CG2 4.32Å; I1087-I1122 HydrophobicContact CG2-CD1 4.22Å; I1087-I1122 HydrophobicContact CG2-CG2 4.3Å
1088	C	89.1	Confident	75.7	Confident	2 Å²	2	65.8 Å²	65.8	1%	0.014	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	135.8	175.4	-55	0	0	0	0	110.1	N1054 D1059 A1090 F1103 F1104 Y1106	N1054-C1088 HydrophobicContact CB-CB 4.19Å; D1059-C1088 WeakPolarHBondContact OD1-CA 3.27Å; C1088-A1090 PolarHBondContact O-N 2.93Å; C1088-F1103 CarbonylContact O-C 3.36Å; C1088-F1103 WeakPolarHBondContact O-CA 3.45Å; C1088-F1104 PolarHBondContact N-O 3.13Å; C1088-F1104 VanDerWaalsContact N-O 3.13Å; C1088-F1104 PolarHBondContact O-N 3.24Å; C1088-Y1106 HydrophobicContact CB-CE2 4.06Å
1089	A	85.3	Confident	76.9	Confident	18 Å²	18	66.3 Å²	66.3	15%	0.149	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.9	127.8	-179.2	0	0	0	0	0	111.4	D1059 R1091 Q1101 F1103	D1059-A1089 WeakPolarHBondContact OD1-CB 3.39Å; D1059-A1089 PolarHBondContact OD1-N 3.2Å; A1089-R1091 VanDerWaalsContact C-N 3.29Å; A1089-R1091 PolarHBondContact O-N 3.3Å; A1089-Q1101 HydrophobicContact CB-CG 4.33Å; A1089-F1103 HydrophobicContact CB-CD1 4.15Å; A1089-F1103 HydrophobicContact CB-CE1 3.81Å; A1089-F1103 HydrophobicContact CB-CZ 4.26Å
1090	A	81.4	Confident	78	Confident	3 Å²	3	62.9 Å²	62.9	3%	0.025	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	83.1	169.6	0	0	0	0	0	109.2	C1088 G1092 R1093 Q1101 L1102 F1104 T1116	C1088-A1090 PolarHBondContact O-N 2.93Å; A1090-G1092 PolarHBondContact O-N 3.01Å; A1090-R1093 HydrophobicContact CB-CB 3.96Å; A1090-R1093 HydrophobicContact CB-CG 4.41Å; A1090-R1093 WeakPolarHBondContact O-CB 3.27Å; A1090-R1093 PolarHBondContact O-N 2.71Å; A1090-Q1101 PolarHBondContact O-NE2 2.71Å; A1090-L1102 HydrophobicContact CB-CB 4.37Å; A1090-L1102 WeakPolarHBondContact CB-O 2.93Å; A1090-L1102 PolarHBondContact N-O 3.15Å; A1090-F1104 HydrophobicContact CB-CD2 3.79Å; A1090-F1104 HydrophobicContact CB-CE2 3.43Å; A1090-F1104 VanDerWaalsContact CB-CE2 3.43Å; A1090-F1104 HydrophobicContact CB-CZ 3.99Å; A1090-T1116 HydrophobicContact CB-CG2 3.96Å
1091	R	74.5	Confident	78.8	Confident	168 Å²	168	63 Å²	63	63%	0.634	32%	0.324	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-54.1	128.3	-175	-63.8	-177.4	-176.4	166.7	5.2	111.2	A1089 R1093	A1089-R1091 VanDerWaalsContact C-N 3.29Å; A1089-R1091 PolarHBondContact O-N 3.3Å; R1091-R1093 VanDerWaalsContact C-N 3.3Å; R1091-R1093 PolarHBondContact O-N 3.13Å
1092	G	71.2	Confident	79.3	Confident	83 Å²	83	61.7 Å²	61.7	86%	0.856	32%	0.319	S	S	*	.	E	Extended strand (participates in β ladder)	trans	80.9	-1.8	-176	0	0	0	0	0	115.3	A1090	A1090-G1092 PolarHBondContact O-N 3.01Å
1093	R	68.4	Low	79.6	Confident	118 Å²	118	60.2 Å²	60.2	45%	0.445	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	116.8	175.3	-61	-171.1	-179.4	-179.6	-0	110.5	A1090 R1091 Q1101 L1102	A1090-R1093 HydrophobicContact CB-CB 3.96Å; A1090-R1093 HydrophobicContact CB-CG 4.41Å; A1090-R1093 WeakPolarHBondContact O-CB 3.27Å; A1090-R1093 PolarHBondContact O-N 2.71Å; R1091-R1093 VanDerWaalsContact C-N 3.3Å; R1091-R1093 PolarHBondContact O-N 3.13Å; R1093-Q1101 PolarHBondContact O-NE2 3.38Å; R1093-Q1101 VanDerWaalsContact O-NE2 3.13Å; R1093-L1102 HydrophobicContact CB-CD1 4.3Å; R1093-L1102 PolarHBondContact O-N 2.65Å
1094	R	74.3	Confident	79.6	Confident	147 Å²	147	61.4 Å²	61.4	56%	0.555	31%	0.313	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-117.2	153	170.7	-66.4	-170.4	178.7	-174.5	-0.8	110.4	V1096 D1099 Q1100	R1094-V1096 PolarHBondContact O-N 2.89Å; R1094-D1099 WeakPolarHBondContact CD-OD1 3.17Å; R1094-D1099 IonicContact NH1-OD1 2.69Å; R1094-D1099 PolarHBondContact NH1-OD1 2.93Å; R1094-D1099 IonicContact NH1-OD2 2.86Å; R1094-D1099 PolarHBondContact NH1-OD2 3.46Å; R1094-Q1100 CarbonylContact C-O 3.59Å; R1094-Q1100 WeakPolarHBondContact CA-O 3.47Å
1095	S	66	Low	79.5	Confident	23 Å²	23	62.1 Å²	62.1	16%	0.161	32%	0.318	C	S	.	.			trans	-66	119.1	175.2	173.3	0	0	0	0	109.7	K1097 S1098 D1099 Q1100	S1095-K1097 PolarHBondContact O-N 3.42Å; S1095-S1098 WeakPolarHBondContact CB-OG 3.46Å; S1095-S1098 PolarHBondContact O-N 3.38Å; S1095-S1098 PolarHBondContact OG-N 2.83Å; S1095-S1098 PolarHBondContact OG-OG 3.25Å; S1095-D1099 VanDerWaalsContact O-CA 3.29Å; S1095-D1099 WeakPolarHBondContact O-CA 3.34Å; S1095-D1099 PolarHBondContact O-N 3.13Å; S1095-Q1100 PolarHBondContact N-O 3.33Å
1096	V	65.7	Low	79.3	Confident	153 Å²	153	63 Å²	63	93%	0.927	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.8	-31.7	177.4	-176.8	0	0	0	0	111.6	R1094	R1094-V1096 PolarHBondContact O-N 2.89Å
1097	K	66.7	Low	79.2	Confident	212 Å²	212	65.5 Å²	65.5	92%	0.922	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.5	-32.9	-177	-69.2	-170.7	177.5	-174.8	0	114.3	S1095	S1095-K1097 PolarHBondContact O-N 3.42Å
1098	S	67.4	Low	79	Confident	55 Å²	55	65.5 Å²	65.5	39%	0.385	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-121.9	-2.5	-170.3	59.6	0	0	0	0	114.6	S1095 Q1100	S1095-S1098 WeakPolarHBondContact CB-OG 3.46Å; S1095-S1098 PolarHBondContact O-N 3.38Å; S1095-S1098 PolarHBondContact OG-N 2.83Å; S1095-S1098 PolarHBondContact OG-OG 3.25Å; S1098-Q1100 PolarHBondContact O-N 3.18Å
1099	D	74.5	Confident	78.9	Confident	107 Å²	107	65.8 Å²	65.8	57%	0.572	33%	0.333	S	S	*	.			trans	50.2	21.1	-169.8	-165	30.3	0	0	0	113.9	R1094 S1095	R1094-D1099 WeakPolarHBondContact CD-OD1 3.17Å; R1094-D1099 IonicContact NH1-OD1 2.69Å; R1094-D1099 PolarHBondContact NH1-OD1 2.93Å; R1094-D1099 IonicContact NH1-OD2 2.86Å; R1094-D1099 PolarHBondContact NH1-OD2 3.46Å; S1095-D1099 VanDerWaalsContact O-CA 3.29Å; S1095-D1099 WeakPolarHBondContact O-CA 3.34Å; S1095-D1099 PolarHBondContact O-N 3.13Å
1100	Q	77.9	Confident	78.7	Confident	77 Å²	77	66.1 Å²	66.1	36%	0.36	33%	0.334	S	S	.	.	P	Polyproline II helix	trans	-83	142.6	178.6	-70.3	-178	-13.6	0	0	111	R1094 S1095 S1098 L1102 P1118 S1120	R1094-Q1100 CarbonylContact C-O 3.59Å; R1094-Q1100 WeakPolarHBondContact CA-O 3.47Å; S1095-Q1100 PolarHBondContact N-O 3.33Å; S1098-Q1100 PolarHBondContact O-N 3.18Å; Q1100-L1102 PolarHBondContact O-N 2.95Å; Q1100-P1118 HydrophobicContact CB-CB 4.24Å; Q1100-S1120 PolarHBondContact OE1-OG 3.45Å
1101	Q	82.4	Confident	78.2	Confident	62 Å²	62	66.4 Å²	66.4	29%	0.29	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.6	129.6	170.1	-176.5	56.9	56.9	0	0	110	A1089 A1090 R1093 F1103	A1089-Q1101 HydrophobicContact CB-CG 4.33Å; A1090-Q1101 PolarHBondContact O-NE2 2.71Å; R1093-Q1101 PolarHBondContact O-NE2 3.38Å; R1093-Q1101 VanDerWaalsContact O-NE2 3.13Å; Q1101-F1103 HydrophobicContact CB-CE2 4.04Å; Q1101-F1103 HydrophobicContact CG-CE2 3.78Å; Q1101-F1103 HydrophobicContact CG-CZ 4.06Å; Q1101-F1103 WeakPolarHBondContact O-CD2 3.38Å
1102	L	85.8	Confident	77.8	Confident	23 Å²	23	62.3 Å²	62.3	12%	0.12	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	147.3	178	-69.4	173.6	0	0	0	110.4	A1090 R1093 Q1100 P1118	A1090-L1102 HydrophobicContact CB-CB 4.37Å; A1090-L1102 WeakPolarHBondContact CB-O 2.93Å; A1090-L1102 PolarHBondContact N-O 3.15Å; R1093-L1102 HydrophobicContact CB-CD1 4.3Å; R1093-L1102 PolarHBondContact O-N 2.65Å; Q1100-L1102 PolarHBondContact O-N 2.95Å; L1102-P1118 HydrophobicContact CD2-CB 4.39Å
1103	F	88.3	Confident	77.5	Confident	6 Å²	6	60.2 Å²	60.2	3%	0.026	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	139.7	-178.8	-70.1	-101.4	0	0	0	110.9	D1058 D1059 I1087 C1088 A1089 Q1101 T1116 E1117 L1119 I1122	D1058-F1103 HydrophobicContact CB-CE1 3.88Å; D1058-F1103 HydrophobicContact CB-CZ 3.73Å; D1059-F1103 WeakPolarHBondContact OD1-CE1 3.5Å; I1087-F1103 HydrophobicContact CB-CB 4.37Å; I1087-F1103 HydrophobicContact CB-CD1 4.34Å; I1087-F1103 HydrophobicContact CD1-CD1 4.06Å; I1087-F1103 HydrophobicContact CD1-CG 4.44Å; I1087-F1103 HydrophobicContact CG1-CD1 4.14Å; C1088-F1103 CarbonylContact O-C 3.36Å; C1088-F1103 WeakPolarHBondContact O-CA 3.45Å; A1089-F1103 HydrophobicContact CB-CD1 4.15Å; A1089-F1103 HydrophobicContact CB-CE1 3.81Å; A1089-F1103 HydrophobicContact CB-CZ 4.26Å; Q1101-F1103 HydrophobicContact CB-CE2 4.04Å; Q1101-F1103 HydrophobicContact CG-CE2 3.78Å; Q1101-F1103 HydrophobicContact CG-CZ 4.06Å; Q1101-F1103 WeakPolarHBondContact O-CD2 3.38Å; F1103-T1116 CarbonylContact O-C 3.58Å; F1103-T1116 WeakPolarHBondContact O-CA 3.47Å; F1103-E1117 PolarHBondContact N-O 2.84Å; F1103-E1117 PolarHBondContact O-N 3.42Å; F1103-L1119 HydrophobicContact CD2-CB 3.95Å; F1103-L1119 HydrophobicContact CD2-CD1 4.32Å; F1103-L1119 HydrophobicContact CE2-CB 3.69Å; F1103-L1119 HydrophobicContact CE2-CD1 4.12Å; F1103-L1119 HydrophobicContact CE2-CD2 4.19Å; F1103-L1119 HydrophobicContact CE2-CG 4.22Å; F1103-L1119 HydrophobicContact CZ-CD1 4.28Å; F1103-L1119 HydrophobicContact CZ-CD2 4.29Å; F1103-I1122 HydrophobicContact CB-CD1 3.94Å
1104	F	87.1	Confident	77.1	Confident	32 Å²	32	56 Å²	56	14%	0.14	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	137.5	164.7	-68.1	-71.9	0	0	0	109.6	I1087 C1088 A1090 Y1106 T1116	I1087-F1104 VanDerWaalsContact CA-O 3.27Å; I1087-F1104 WeakPolarHBondContact CA-O 3.36Å; C1088-F1104 PolarHBondContact N-O 3.13Å; C1088-F1104 VanDerWaalsContact N-O 3.13Å; C1088-F1104 PolarHBondContact O-N 3.24Å; A1090-F1104 HydrophobicContact CB-CD2 3.79Å; A1090-F1104 HydrophobicContact CB-CE2 3.43Å; A1090-F1104 VanDerWaalsContact CB-CE2 3.43Å; A1090-F1104 HydrophobicContact CB-CZ 3.99Å; F1104-Y1106 HydrophobicContact CB-CD2 4.41Å; F1104-Y1106 HydrophobicContact CB-CE2 3.65Å; F1104-T1116 HydrophobicContact CD1-CG2 3.57Å; F1104-T1116 HydrophobicContact CE1-CG2 3.45Å; F1104-T1116 VanDerWaalsContact CE1-CG2 3.45Å; F1104-T1116 HydrophobicContact CE2-CG2 4.47Å; F1104-T1116 HydrophobicContact CG-CG2 4.14Å; F1104-T1116 HydrophobicContact CZ-CG2 3.94Å
1105	V	87.4	Confident	76.8	Confident	15 Å²	15	54.1 Å²	54.1	9%	0.091	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	115.2	178.7	-178.3	0	0	0	0	109.5	I1085 I1087 I1122	I1085-V1105 HydrophobicContact CB-CG1 4.21Å; I1085-V1105 HydrophobicContact CD1-CG1 4.01Å; I1085-V1105 HydrophobicContact CG2-CG1 4.35Å; I1087-V1105 HydrophobicContact CG2-CG2 4.23Å; V1105-I1122 HydrophobicContact CG2-CD1 3.95Å; V1105-I1122 HydrophobicContact CG2-CG1 4.37Å
1106	Y	88.8	Confident	77.6	Confident	20 Å²	20	54.7 Å²	54.7	8%	0.078	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	139.1	179.2	-62.1	-83	0	0	0	110.5	M1042 M1050 I1085 L1086 C1088 F1104 A1111	M1042-Y1106 HydrophobicContact CE-CD1 3.7Å; M1042-Y1106 HydrophobicContact CE-CE1 4.22Å; M1042-Y1106 HydrophobicContact CE-CG 4.38Å; M1042-Y1106 HydrophobicContact SD-CD1 4.46Å; M1050-Y1106 HydrophobicContact CG-CE2 4.45Å; I1085-Y1106 WeakPolarHBondContact CA-O 3.18Å; L1086-Y1106 HydrophobicContact CD2-CD2 4.25Å; L1086-Y1106 HydrophobicContact CD2-CG 4.44Å; L1086-Y1106 HydrophobicContact CG-CD2 4.17Å; L1086-Y1106 PolarHBondContact N-O 3.22Å; L1086-Y1106 WeakPolarHBondContact O-CB 3.41Å; L1086-Y1106 PolarHBondContact O-N 2.93Å; C1088-Y1106 HydrophobicContact CB-CE2 4.06Å; F1104-Y1106 HydrophobicContact CB-CD2 4.41Å; F1104-Y1106 HydrophobicContact CB-CE2 3.65Å; Y1106-A1111 WeakPolarHBondContact CD1-O 3.45Å; Y1106-A1111 VanDerWaalsContact CE1-O 3.27Å; Y1106-A1111 WeakPolarHBondContact CE1-O 3.49Å
1107	K	89.7	Confident	78.4	Confident	52 Å²	52	49.2 Å²	49.2	23%	0.226	24%	0.241	C	C	.	.	B	Isolated β-bridge	trans	-129.3	153.8	-179.5	-59.6	-172.3	-178.3	173.3	0	110.6	I1085 Y1109 C1110	I1085-K1107 HydrophobicContact CG2-CG 4.11Å; K1107-Y1109 HydrophobicContact CB-CD1 4.37Å; K1107-Y1109 HydrophobicContact CB-CE1 4.17Å; K1107-Y1109 HydrophobicContact CB-CE2 4.29Å; K1107-Y1109 HydrophobicContact CD-CE1 3.92Å; K1107-Y1109 HydrophobicContact CD-CE2 3.8Å; K1107-Y1109 WeakPolarHBondContact CD-OH 3.49Å; K1107-Y1109 PolarHBondContact NZ-OH 3.03Å; K1107-Y1109 PolarHBondContact O-N 2.99Å; K1107-C1110 PolarHBondContact N-O 3.37Å; K1107-C1110 CarbonylContact O-C 3.35Å; K1107-C1110 PolarHBondContact O-N 3.19Å
1108	P	87.9	Confident	79.4	Confident	0 Å²	0	40 Å²	40	0%	0	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.8	-38.8	179.8	-21.5	27.4	0	0	0	113.3	G1041 M1042 W1138 M1141 Y1142	G1041-P1108 CarbonylContact C-O 3.56Å; G1041-P1108 WeakPolarHBondContact CA-O 3.31Å; M1042-P1108 PolarHBondContact N-O 3.48Å; P1108-W1138 HydrophobicContact CB-CD2 4.21Å; P1108-W1138 HydrophobicContact CB-CG 4.34Å; P1108-W1138 HydrophobicContact CB-CZ2 4.37Å; P1108-W1138 HydrophobicContact CG-CD2 3.6Å; P1108-W1138 HydrophobicContact CG-CE3 3.88Å; P1108-W1138 HydrophobicContact CG-CG 3.92Å; P1108-W1138 HydrophobicContact CG-CH2 4.44Å; P1108-W1138 HydrophobicContact CG-CZ2 4.19Å; P1108-W1138 HydrophobicContact CG-CZ3 4.28Å; P1108-M1141 HydrophobicContact CB-CB 4.03Å; P1108-M1141 HydrophobicContact CG-CB 3.76Å; P1108-M1141 HydrophobicContact CG-CE 4.44Å; P1108-M1141 HydrophobicContact CG-SD 4.13Å; P1108-Y1142 WeakPolarHBondContact O-CD2 3.3Å
1109	Y	85.5	Confident	80.3	Confident	8 Å²	8	38.5 Å²	38.5	3%	0.031	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.3	-10.8	-179.1	56.3	-102.3	0	0	0	114.4	K1107 M1141 Q1150 G1174	K1107-Y1109 HydrophobicContact CB-CD1 4.37Å; K1107-Y1109 HydrophobicContact CB-CE1 4.17Å; K1107-Y1109 HydrophobicContact CB-CE2 4.29Å; K1107-Y1109 HydrophobicContact CD-CE1 3.92Å; K1107-Y1109 HydrophobicContact CD-CE2 3.8Å; K1107-Y1109 WeakPolarHBondContact CD-OH 3.49Å; K1107-Y1109 PolarHBondContact NZ-OH 3.03Å; K1107-Y1109 PolarHBondContact O-N 2.99Å; Y1109-M1141 HydrophobicContact CD1-CE 4.2Å; Y1109-M1141 HydrophobicContact CE1-CE 3.99Å; Y1109-Q1150 PolarHBondContact OH-OE1 3.1Å; Y1109-G1174 WeakPolarHBondContact CB-O 3.46Å
1110	C	81.4	Confident	80.8	Confident	24 Å²	24	35.4 Å²	35.4	16%	0.162	18%	0.177	C	C	.	.	B	Isolated β-bridge	trans	-146.4	99.7	-177.5	-171.6	0	0	0	0	110.4	R1040 K1107 Y1112	R1040-C1110 CarbonylContact O-C 3.51Å; R1040-C1110 WeakPolarHBondContact O-CA 3.35Å; K1107-C1110 PolarHBondContact N-O 3.37Å; K1107-C1110 CarbonylContact O-C 3.35Å; K1107-C1110 PolarHBondContact O-N 3.19Å; C1110-Y1112 PolarHBondContact O-N 3.06Å; C1110-Y1112 PolarHBondContact SG-O 3.06Å
1111	A	71.1	Confident	81.2	Confident	9 Å²	9	35 Å²	35	7%	0.074	18%	0.177	C	C	.	.	S	Bend	trans	-66.8	-16.3	-177.1	0	0	0	0	0	114.3	R1040 M1042 Y1106	R1040-A1111 VanDerWaalsContact O-CB 3.31Å; R1040-A1111 WeakPolarHBondContact O-CB 3.36Å; R1040-A1111 PolarHBondContact O-N 3.36Å; M1042-A1111 HydrophobicContact CB-CB 3.7Å; M1042-A1111 HydrophobicContact CE-CB 3.96Å; M1042-A1111 VanDerWaalsContact CE-O 3.28Å; M1042-A1111 WeakPolarHBondContact CE-O 3.43Å; M1042-A1111 HydrophobicContact CG-CB 4.44Å; Y1106-A1111 WeakPolarHBondContact CD1-O 3.45Å; Y1106-A1111 VanDerWaalsContact CE1-O 3.27Å; Y1106-A1111 WeakPolarHBondContact CE1-O 3.49Å
1112	Y	65.7	Low	81.4	Confident	82 Å²	82	32 Å²	32	32%	0.322	16%	0.164	S	C	.	.			trans	-150.2	109.9	179.5	-176.2	-101.7	0	0	0	110	H1009 C1110 P1114	H1009-Y1112 AromaticContact CD2-CD2 4Å; H1009-Y1112 AromaticContact CD2-CG 3.78Å; C1110-Y1112 PolarHBondContact O-N 3.06Å; C1110-Y1112 PolarHBondContact SG-O 3.06Å; Y1112-P1114 HydrophobicContact CE1-CB 3.87Å; Y1112-P1114 HydrophobicContact CE1-CG 3.96Å
1113	N	66	Low	81.4	Confident	39 Å²	39	36 Å²	36	21%	0.209	18%	0.18	C	C	.	.			trans	-118.5	112.2	164.9	-169	-20.6	0	0	0	108.1	K1115	N1113-K1115 PolarHBondContact O-N 2.84Å; N1113-K1115 WeakPolarHBondContact OD1-CB 3.35Å; N1113-K1115 PolarHBondContact OD1-N 3.27Å; N1113-K1115 VanDerWaalsContact OD1-N 3.09Å
1114	P	59.8	Low	81.2	Confident	31 Å²	31	42.1 Å²	42.1	20%	0.201	21%	0.208	C	C	.	.			trans	-72.8	-8.3	-176.9	25	-28.1	0	0	0	113	A82 Y1112 T1116	A82-P1114 HydrophobicContact CB-CB 4.2Å; A82-P1114 HydrophobicContact CB-CG 3.13Å; Y1112-P1114 HydrophobicContact CE1-CB 3.87Å; Y1112-P1114 HydrophobicContact CE1-CG 3.96Å; P1114-T1116 PolarHBondContact O-N 3.48Å
1115	K	68.6	Low	81.1	Confident	106 Å²	106	45.7 Å²	45.7	46%	0.461	22%	0.221	S	C	.	.			trans	-62.4	110.6	172.3	-168.6	172.7	-176.4	169.7	0	108.7	N1113	N1113-K1115 PolarHBondContact O-N 2.84Å; N1113-K1115 WeakPolarHBondContact OD1-CB 3.35Å; N1113-K1115 PolarHBondContact OD1-N 3.27Å; N1113-K1115 VanDerWaalsContact OD1-N 3.09Å
1116	T	81.5	Confident	81.2	Confident	35 Å²	35	46.5 Å²	46.5	22%	0.215	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	138.5	175	57.3	0	0	0	0	110.3	A1090 F1103 F1104 P1114	A1090-T1116 HydrophobicContact CB-CG2 3.96Å; F1103-T1116 CarbonylContact O-C 3.58Å; F1103-T1116 WeakPolarHBondContact O-CA 3.47Å; F1104-T1116 HydrophobicContact CD1-CG2 3.57Å; F1104-T1116 HydrophobicContact CE1-CG2 3.45Å; F1104-T1116 VanDerWaalsContact CE1-CG2 3.45Å; F1104-T1116 HydrophobicContact CE2-CG2 4.47Å; F1104-T1116 HydrophobicContact CG-CG2 4.14Å; F1104-T1116 HydrophobicContact CZ-CG2 3.94Å; P1114-T1116 PolarHBondContact O-N 3.48Å
1117	E	82.7	Confident	81.3	Confident	39 Å²	39	51.9 Å²	51.9	18%	0.182	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	147.4	179.3	-63.6	-175.8	-178.7	0	0	110.3	F1103 I1122 R1125	F1103-E1117 PolarHBondContact N-O 2.84Å; F1103-E1117 PolarHBondContact O-N 3.42Å; E1117-I1122 HydrophobicContact CB-CD1 4.16Å; E1117-I1122 HydrophobicContact CB-CG1 4.11Å; E1117-R1125 IonicContact OE2-CZ 2.74Å; E1117-R1125 IonicContact OE2-NH2 2.73Å; E1117-R1125 PolarHBondContact OE2-NH2 2.68Å
1118	P	87	Confident	81.3	Confident	19 Å²	19	55 Å²	55	12%	0.123	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69	146.2	172.3	29.4	-33.1	0	0	0	109.9	Q1100 L1102 S1120 N1121 I1122	Q1100-P1118 HydrophobicContact CB-CB 4.24Å; L1102-P1118 HydrophobicContact CD2-CB 4.39Å; P1118-S1120 PolarHBondContact O-N 3.31Å; P1118-S1120 VanDerWaalsContact O-N 3.13Å; P1118-N1121 HydrophobicContact CG-CB 4.07Å; P1118-N1121 WeakPolarHBondContact CG-ND2 3.08Å; P1118-N1121 PolarHBondContact O-N 3.21Å; P1118-N1121 VanDerWaalsContact O-N 3.09Å; P1118-I1122 PolarHBondContact O-N 3.23Å
1119	L	86.2	Confident	81.5	Confident	23 Å²	23	55.8 Å²	55.8	12%	0.12	26%	0.258	C	S	.	.	H	α-helix	trans	-57	-32.2	-176.7	-173.1	63.2	0	0	0	113.7	D1058 I1087 F1103 I1122 K1123	D1058-L1119 HydrophobicContact CB-CD1 4.28Å; D1058-L1119 HydrophobicContact CB-CD2 3.85Å; D1058-L1119 WeakPolarHBondContact OD1-CD2 3.3Å; D1058-L1119 VanDerWaalsContact OD2-CD2 3.28Å; D1058-L1119 WeakPolarHBondContact OD2-CD2 3.42Å; I1087-L1119 HydrophobicContact CD1-CD1 3.68Å; F1103-L1119 HydrophobicContact CD2-CB 3.95Å; F1103-L1119 HydrophobicContact CD2-CD1 4.32Å; F1103-L1119 HydrophobicContact CE2-CB 3.69Å; F1103-L1119 HydrophobicContact CE2-CD1 4.12Å; F1103-L1119 HydrophobicContact CE2-CD2 4.19Å; F1103-L1119 HydrophobicContact CE2-CG 4.22Å; F1103-L1119 HydrophobicContact CZ-CD1 4.28Å; F1103-L1119 HydrophobicContact CZ-CD2 4.29Å; L1119-I1122 PolarHBondContact O-N 3.13Å; L1119-K1123 HydrophobicContact CD1-CD 4.48Å; L1119-K1123 HydrophobicContact CD1-CG 4.39Å; L1119-K1123 HydrophobicContact CD2-CD 4.41Å; L1119-K1123 HydrophobicContact CG-CD 4.02Å; L1119-K1123 HydrophobicContact CG-CG 4.3Å; L1119-K1123 WeakPolarHBondContact O-CB 3.41Å; L1119-K1123 WeakPolarHBondContact O-CG 3.45Å; L1119-K1123 PolarHBondContact O-N 3.47Å
1120	S	85.3	Confident	81.8	Confident	41 Å²	41	60.1 Å²	60.1	29%	0.287	28%	0.281	S	S	.	.	H	α-helix	trans	-57.7	-48.6	175.9	50.6	0	0	0	0	112	Q1100 P1118 I1122 K1123 Q1124	Q1100-S1120 PolarHBondContact OE1-OG 3.45Å; P1118-S1120 PolarHBondContact O-N 3.31Å; P1118-S1120 VanDerWaalsContact O-N 3.13Å; S1120-I1122 VanDerWaalsContact C-N 3.27Å; S1120-I1122 PolarHBondContact O-N 3Å; S1120-K1123 PolarHBondContact O-N 2.95Å; S1120-Q1124 WeakPolarHBondContact O-CG 3.3Å; S1120-Q1124 PolarHBondContact O-N 2.85Å; S1120-Q1124 VanDerWaalsContact O-N 3.12Å
1121	N	86.7	Confident	82.2	Confident	68 Å²	68	60.4 Å²	60.4	36%	0.364	28%	0.283	S	S	.	.	H	α-helix	trans	-67.3	-27.7	178.2	-68.7	1.9	0	0	0	112.8	P1118 R1125	P1118-N1121 HydrophobicContact CG-CB 4.07Å; P1118-N1121 WeakPolarHBondContact CG-ND2 3.08Å; P1118-N1121 PolarHBondContact O-N 3.21Å; P1118-N1121 VanDerWaalsContact O-N 3.09Å; N1121-R1125 PolarHBondContact O-NE 3.11Å; N1121-R1125 VanDerWaalsContact O-NE 3.17Å; N1121-R1125 PolarHBondContact O-NH2 2.93Å
1122	I	85.9	Confident	83.1	Confident	0 Å²	0	67 Å²	67	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-74.7	-49.2	174.9	-63.2	163.8	0	0	0	109.5	Y1062 I1085 I1087 F1103 V1105 E1117 P1118 L1119 S1120 Q1124 R1125 Y1126	Y1062-I1122 HydrophobicContact CD1-CG2 4.47Å; I1085-I1122 HydrophobicContact CD1-CG2 4.13Å; I1087-I1122 HydrophobicContact CD1-CD1 4.4Å; I1087-I1122 HydrophobicContact CD1-CG2 4.32Å; I1087-I1122 HydrophobicContact CG2-CD1 4.22Å; I1087-I1122 HydrophobicContact CG2-CG2 4.3Å; F1103-I1122 HydrophobicContact CB-CD1 3.94Å; V1105-I1122 HydrophobicContact CG2-CD1 3.95Å; V1105-I1122 HydrophobicContact CG2-CG1 4.37Å; E1117-I1122 HydrophobicContact CB-CD1 4.16Å; E1117-I1122 HydrophobicContact CB-CG1 4.11Å; P1118-I1122 PolarHBondContact O-N 3.23Å; L1119-I1122 PolarHBondContact O-N 3.13Å; S1120-I1122 VanDerWaalsContact C-N 3.27Å; S1120-I1122 PolarHBondContact O-N 3Å; I1122-Q1124 PolarHBondContact O-N 2.97Å; I1122-R1125 PolarHBondContact O-N 3.46Å; I1122-Y1126 HydrophobicContact CG2-CD2 4.21Å; I1122-Y1126 PolarHBondContact O-N 3.3Å
1123	K	86.7	Confident	84.3	Confident	107 Å²	107	66.6 Å²	66.6	47%	0.465	31%	0.313	S	S	.	.	H	α-helix	trans	-62.1	-23.9	-179.9	-75.3	-179.4	177.5	171.9	0	113.5	D1058 L1119 S1120 R1125 Y1126	D1058-K1123 IonicContact OD1-NZ 3.94Å; D1058-K1123 PolarHBondContact OD1-NZ 3.49Å; L1119-K1123 HydrophobicContact CD1-CD 4.48Å; L1119-K1123 HydrophobicContact CD1-CG 4.39Å; L1119-K1123 HydrophobicContact CD2-CD 4.41Å; L1119-K1123 HydrophobicContact CG-CD 4.02Å; L1119-K1123 HydrophobicContact CG-CG 4.3Å; L1119-K1123 WeakPolarHBondContact O-CB 3.41Å; L1119-K1123 WeakPolarHBondContact O-CG 3.45Å; L1119-K1123 PolarHBondContact O-N 3.47Å; S1120-K1123 PolarHBondContact O-N 2.95Å; K1123-R1125 VanDerWaalsContact C-N 3.32Å; K1123-R1125 PolarHBondContact O-N 3.05Å; K1123-Y1126 WeakPolarHBondContact CA-O 3.4Å
1124	Q	84.5	Confident	85.4	Confident	134 Å²	134	64.8 Å²	64.8	63%	0.626	30%	0.303	S	S	*	.	H	α-helix	trans	-64	-34.5	171.6	-75.5	172.1	10.3	0	0	113.1	S1120 I1122	S1120-Q1124 WeakPolarHBondContact O-CG 3.3Å; S1120-Q1124 PolarHBondContact O-N 2.85Å; S1120-Q1124 VanDerWaalsContact O-N 3.12Å; I1122-Q1124 PolarHBondContact O-N 2.97Å
1125	R	85.2	Confident	87	Confident	107 Å²	107	66.2 Å²	66.2	40%	0.404	31%	0.307	S	S	.	.	H	α-helix	trans	-108.4	-20.5	-172.8	-69.6	173.7	-68.2	165.8	5.7	113.6	S1064 T1065 E1117 N1121 I1122 K1123	S1064-R1125 CarbonylContact C-O 3.55Å; S1064-R1125 VanDerWaalsContact CA-O 3.31Å; S1064-R1125 WeakPolarHBondContact CA-O 3.49Å; T1065-R1125 PolarHBondContact N-O 3.18Å; T1065-R1125 PolarHBondContact OG1-O 3.13Å; T1065-R1125 VanDerWaalsContact OG1-O 3.12Å; E1117-R1125 IonicContact OE2-CZ 2.74Å; E1117-R1125 IonicContact OE2-NH2 2.73Å; E1117-R1125 PolarHBondContact OE2-NH2 2.68Å; N1121-R1125 PolarHBondContact O-NE 3.11Å; N1121-R1125 VanDerWaalsContact O-NE 3.17Å; N1121-R1125 PolarHBondContact O-NH2 2.93Å; I1122-R1125 PolarHBondContact O-N 3.46Å; K1123-R1125 VanDerWaalsContact C-N 3.32Å; K1123-R1125 PolarHBondContact O-N 3.05Å
1126	Y	89.7	Confident	88.2	Confident	33 Å²	33	64.8 Å²	64.8	13%	0.129	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	144.4	-174	-54.1	-97.7	0	0	0	112.1	I1063 T1083 I1085 I1122 K1123	I1063-Y1126 CarbonylContact O-C 3.57Å; I1063-Y1126 VanDerWaalsContact O-CA 3.25Å; I1063-Y1126 WeakPolarHBondContact O-CA 3.43Å; T1083-Y1126 HydrophobicContact CG2-CE1 4.23Å; I1085-Y1126 HydrophobicContact CD1-CD1 3.64Å; I1085-Y1126 HydrophobicContact CD1-CD2 3.66Å; I1085-Y1126 HydrophobicContact CD1-CE1 3.83Å; I1085-Y1126 HydrophobicContact CD1-CE2 3.84Å; I1085-Y1126 HydrophobicContact CD1-CG 3.59Å; I1085-Y1126 HydrophobicContact CG1-CD1 3.86Å; I1085-Y1126 HydrophobicContact CG1-CE1 4.09Å; I1085-Y1126 HydrophobicContact CG1-CG 4.22Å; I1085-Y1126 HydrophobicContact CG2-CD1 4.36Å; I1085-Y1126 HydrophobicContact CG2-CE1 3.76Å; I1122-Y1126 HydrophobicContact CG2-CD2 4.21Å; I1122-Y1126 PolarHBondContact O-N 3.3Å; K1123-Y1126 WeakPolarHBondContact CA-O 3.4Å
1127	R	90.1	Very high	88.6	Confident	133 Å²	133	64.4 Å²	64.4	50%	0.502	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	143.8	169.8	87.2	178.4	-170.8	-173.8	0.2	110.2	Y1062 I1063 T1065 L1068 V1129	Y1062-R1127 CarbonylContact C-O 3.46Å; Y1062-R1127 WeakPolarHBondContact CA-O 3.07Å; Y1062-R1127 WeakPolarHBondContact CB-O 3.15Å; Y1062-R1127 VanDerWaalsContact CD1-C 3.46Å; I1063-R1127 PolarHBondContact N-O 2.7Å; I1063-R1127 PolarHBondContact O-N 3.06Å; T1065-R1127 HydrophobicContact CG2-CB 4.28Å; L1068-R1127 VanDerWaalsContact CD1-NH1 3.3Å; R1127-V1129 HydrophobicContact CG-CG1 3.95Å
1128	R	90.6	Very high	89	Confident	117 Å²	117	62.5 Å²	62.5	44%	0.442	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	141.5	172.7	-165.9	178.2	-175	176.6	9	110.2	D1057 D1059 Y1062	D1057-R1128 PolarHBondContact O-NH1 3.47Å; D1057-R1128 PolarHBondContact O-NH2 3.01Å; D1059-R1128 PolarHBondContact O-NH2 2.81Å; Y1062-R1128 HydrophobicContact CD1-CB 3.98Å; Y1062-R1128 VanDerWaalsContact CD1-N 3.28Å; Y1062-R1128 HydrophobicContact CD2-CG 4.38Å; Y1062-R1128 HydrophobicContact CE1-CB 3.6Å; Y1062-R1128 HydrophobicContact CE1-CG 4.22Å; Y1062-R1128 HydrophobicContact CE2-CB 4.16Å; Y1062-R1128 HydrophobicContact CE2-CG 3.86Å; Y1062-R1128 HydrophobicContact CG-CB 4.4Å
1129	V	92	Very high	89.3	Confident	17 Å²	17	67.3 Å²	67.3	10%	0.103	31%	0.312	C	S	.	.			trans	-138.9	165.6	177.1	-66.6	0	0	0	0	111	F1061 I1063 R1127 D1133 A1134	F1061-V1129 HydrophobicContact CB-CG2 4.31Å; F1061-V1129 PolarHBondContact O-N 3.46Å; I1063-V1129 HydrophobicContact CB-CG1 4.34Å; I1063-V1129 HydrophobicContact CB-CG2 4.47Å; I1063-V1129 HydrophobicContact CD1-CB 4.16Å; I1063-V1129 HydrophobicContact CD1-CG1 3.9Å; I1063-V1129 HydrophobicContact CD1-CG2 3.58Å; I1063-V1129 HydrophobicContact CG1-CG1 4.29Å; I1063-V1129 HydrophobicContact CG1-CG2 3.69Å; R1127-V1129 HydrophobicContact CG-CG1 3.95Å; V1129-D1133 HydrophobicContact CB-CB 4.27Å; V1129-A1134 HydrophobicContact CG2-CB 3.99Å
1130	L	90.9	Very high	89.5	Confident	98 Å²	98	70.3 Å²	70.3	51%	0.513	33%	0.326	S	S	.	.			trans	-75.4	151.7	174.7	-66	169.9	0	0	0	110.2	K1132 D1133 A1134	L1130-K1132 HydrophobicContact CB-CG 3.99Å; L1130-K1132 PolarHBondContact O-N 2.94Å; L1130-K1132 VanDerWaalsContact O-N 3.16Å; L1130-D1133 PolarHBondContact O-N 3.38Å; L1130-A1134 PolarHBondContact O-N 3.07Å
1131	P	90.7	Very high	89.7	Confident	30 Å²	30	68.7 Å²	68.7	20%	0.195	31%	0.314	C	S	.	.	H	α-helix	trans	-52	-39.9	179.1	-27.5	33.6	0	0	0	113.5	W1044 M1048 Y1051 F1061 D1133 A1134 E1135	W1044-P1131 HydrophobicContact CH2-CB 4.16Å; W1044-P1131 WeakPolarHBondContact CH2-O 3.28Å; W1044-P1131 HydrophobicContact CZ2-CB 4.13Å; W1044-P1131 WeakPolarHBondContact CZ2-O 3.38Å; M1048-P1131 HydrophobicContact SD-CB 4.35Å; Y1051-P1131 HydrophobicContact CE1-CG 4.01Å; F1061-P1131 HydrophobicContact CD2-CB 4.09Å; F1061-P1131 HydrophobicContact CD2-CG 4Å; F1061-P1131 HydrophobicContact CE2-CB 4.19Å; F1061-P1131 HydrophobicContact CE2-CG 4.26Å; P1131-D1133 PolarHBondContact O-N 2.82Å; P1131-A1134 PolarHBondContact O-N 3.4Å; P1131-A1134 VanDerWaalsContact O-N 3.1Å; P1131-E1135 PolarHBondContact O-N 3.07Å
1132	K	89.7	Confident	89.8	Confident	147 Å²	147	66.5 Å²	66.5	64%	0.639	30%	0.301	S	S	*	.	H	α-helix	trans	-58.1	-31.6	176.9	66.9	-179.9	-173.8	179.2	0	114.1	L1130 P1136	L1130-K1132 HydrophobicContact CB-CG 3.99Å; L1130-K1132 PolarHBondContact O-N 2.94Å; L1130-K1132 VanDerWaalsContact O-N 3.16Å; K1132-P1136 WeakPolarHBondContact O-CD 3.38Å
1133	D	90.1	Very high	90.1	Very high	75 Å²	75	71.4 Å²	71.4	40%	0.401	33%	0.327	S	S	.	.	H	α-helix	trans	-86	-26.3	-179.3	-53.5	-42.2	0	0	0	110.9	V1129 L1130 P1131	V1129-D1133 HydrophobicContact CB-CB 4.27Å; L1130-D1133 PolarHBondContact O-N 3.38Å; P1131-D1133 PolarHBondContact O-N 2.82Å
1134	A	90.5	Very high	90.1	Very high	0 Å²	0	67.3 Å²	67.3	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-82.2	-33.2	178.1	0	0	0	0	0	113	W1044 F1061 V1129 L1130 P1131 I1137 W1138	W1044-A1134 HydrophobicContact CH2-CB 4.16Å; W1044-A1134 HydrophobicContact CZ3-CB 4.24Å; F1061-A1134 HydrophobicContact CB-CB 3.61Å; F1061-A1134 HydrophobicContact CD1-CB 4.07Å; F1061-A1134 HydrophobicContact CG-CB 3.93Å; V1129-A1134 HydrophobicContact CG2-CB 3.99Å; L1130-A1134 PolarHBondContact O-N 3.07Å; P1131-A1134 PolarHBondContact O-N 3.4Å; P1131-A1134 VanDerWaalsContact O-N 3.1Å; A1134-I1137 PolarHBondContact O-N 3.25Å; A1134-W1138 WeakPolarHBondContact O-CB 3.4Å; A1134-W1138 PolarHBondContact O-N 3.36Å
1135	E	93.4	Very high	90.3	Very high	61 Å²	61	61.2 Å²	61.2	29%	0.285	28%	0.284	S	S	.	.	H	α-helix	trans	-50.2	-53.5	-177	-177.7	169.5	-170.9	0	0	114.9	W1044 P1131 I1137 W1138 R1139	W1044-E1135 HydrophobicContact CD2-CB 4.1Å; W1044-E1135 HydrophobicContact CD2-CG 3.88Å; W1044-E1135 HydrophobicContact CE3-CB 4.36Å; W1044-E1135 HydrophobicContact CE3-CG 4.5Å; W1044-E1135 HydrophobicContact CG-CG 4.15Å; W1044-E1135 HydrophobicContact CH2-CB 3.82Å; W1044-E1135 HydrophobicContact CZ2-CB 3.51Å; W1044-E1135 HydrophobicContact CZ2-CG 4.01Å; W1044-E1135 HydrophobicContact CZ3-CB 4.22Å; W1044-E1135 VanDerWaalsContact NE1-CD 3.33Å; W1044-E1135 PolarHBondContact NE1-OE1 2.96Å; P1131-E1135 PolarHBondContact O-N 3.07Å; E1135-I1137 VanDerWaalsContact C-N 3.3Å; E1135-I1137 PolarHBondContact O-N 3.18Å; E1135-W1138 PolarHBondContact O-N 3.25Å; E1135-R1139 HydrophobicContact CG-CG 4.45Å; E1135-R1139 WeakPolarHBondContact O-CG 3.42Å; E1135-R1139 PolarHBondContact O-N 2.62Å; E1135-R1139 IonicContact OE1-CZ 3.76Å; E1135-R1139 VanDerWaalsContact OE1-CZ 3.22Å; E1135-R1139 IonicContact OE1-NE 3.08Å; E1135-R1139 PolarHBondContact OE1-NE 3.45Å; E1135-R1139 IonicContact OE1-NH2 3.64Å; E1135-R1139 PolarHBondContact OE1-NH2 2.96Å
1136	P	91.9	Very high	90.3	Very high	77 Å²	77	59.4 Å²	59.4	50%	0.5	28%	0.282	S	S	.	.	H	α-helix	trans	-62.3	-40.1	-176.7	22.7	-33	0	0	0	111.8	K1132 E1140	K1132-P1136 WeakPolarHBondContact O-CD 3.38Å; P1136-E1140 WeakPolarHBondContact O-CB 3.44Å; P1136-E1140 PolarHBondContact O-N 2.95Å
1137	I	89.9	Confident	89.9	Confident	26 Å²	26	61.8 Å²	61.8	13%	0.133	30%	0.3	C	S	.	.	H	α-helix	trans	-69.6	-41.4	179	-59.4	169.2	0	0	0	110.3	I1063 P1082 A1084 A1134 E1135 E1140 M1141	I1063-I1137 HydrophobicContact CD1-CD1 3.47Å; I1063-I1137 VanDerWaalsContact CD1-CD1 3.47Å; I1063-I1137 HydrophobicContact CG1-CD1 4.07Å; I1063-I1137 HydrophobicContact CG2-CD1 4.27Å; P1082-I1137 HydrophobicContact CB-CD1 4.21Å; P1082-I1137 HydrophobicContact CG-CD1 3.9Å; P1082-I1137 HydrophobicContact CG-CG1 4.29Å; P1082-I1137 HydrophobicContact CG-CG2 4.47Å; P1082-I1137 WeakPolarHBondContact O-CG2 3.22Å; A1084-I1137 HydrophobicContact CB-CB 4.06Å; A1084-I1137 HydrophobicContact CB-CG2 3.72Å; A1134-I1137 PolarHBondContact O-N 3.25Å; E1135-I1137 VanDerWaalsContact C-N 3.3Å; E1135-I1137 PolarHBondContact O-N 3.18Å; I1137-E1140 PolarHBondContact O-N 2.78Å; I1137-M1141 HydrophobicContact CG2-CG 4.33Å; I1137-M1141 HydrophobicContact CG2-SD 4.23Å; I1137-M1141 VanDerWaalsContact O-CB 3.29Å; I1137-M1141 WeakPolarHBondContact O-CB 3.16Å; I1137-M1141 VanDerWaalsContact O-CG 3.27Å; I1137-M1141 WeakPolarHBondContact O-CG 3.25Å; I1137-M1141 PolarHBondContact O-N 3.4Å
1138	W	92.8	Very high	89.6	Confident	0 Å²	0	58.1 Å²	58.1	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-60.9	-47.3	177.9	-169.1	-75.4	0	0	0	111.6	M1042 W1044 A1047 F1061 A1084 L1086 P1108 A1134 E1135 Y1142	M1042-W1138 HydrophobicContact CB-CZ2 4.15Å; M1042-W1138 HydrophobicContact CG-CZ2 4.15Å; M1042-W1138 PolarHBondContact O-NE1 3.08Å; M1042-W1138 HydrophobicContact SD-CH2 4.4Å; M1042-W1138 HydrophobicContact SD-CZ2 3.97Å; W1044-W1138 HydrophobicContact CE3-CB 3.65Å; W1044-W1138 AromaticContact CE3-CD1 3.94Å; W1044-W1138 HydrophobicContact CE3-CD2 4.16Å; W1044-W1138 AromaticContact CE3-CG 3.62Å; W1044-W1138 HydrophobicContact CE3-CG 3.62Å; W1044-W1138 HydrophobicContact CZ3-CB 3.92Å; W1044-W1138 HydrophobicContact CZ3-CD2 4.42Å; W1044-W1138 HydrophobicContact CZ3-CG 4.13Å; A1047-W1138 HydrophobicContact CB-CH2 4.18Å; A1047-W1138 HydrophobicContact CB-CZ2 3.7Å; F1061-W1138 HydrophobicContact CD1-CE3 4.3Å; F1061-W1138 HydrophobicContact CD1-CZ3 4.35Å; F1061-W1138 HydrophobicContact CE1-CE3 4.21Å; F1061-W1138 HydrophobicContact CE1-CZ3 4.24Å; A1084-W1138 HydrophobicContact CB-CE3 4.19Å; L1086-W1138 HydrophobicContact CB-CH2 4.03Å; L1086-W1138 HydrophobicContact CB-CZ3 4Å; P1108-W1138 HydrophobicContact CB-CD2 4.21Å; P1108-W1138 HydrophobicContact CB-CG 4.34Å; P1108-W1138 HydrophobicContact CB-CZ2 4.37Å; P1108-W1138 HydrophobicContact CG-CD2 3.6Å; P1108-W1138 HydrophobicContact CG-CE3 3.88Å; P1108-W1138 HydrophobicContact CG-CG 3.92Å; P1108-W1138 HydrophobicContact CG-CH2 4.44Å; P1108-W1138 HydrophobicContact CG-CZ2 4.19Å; P1108-W1138 HydrophobicContact CG-CZ3 4.28Å; A1134-W1138 WeakPolarHBondContact O-CB 3.4Å; A1134-W1138 PolarHBondContact O-N 3.36Å; E1135-W1138 PolarHBondContact O-N 3.25Å; W1138-Y1142 VanDerWaalsContact O-CB 3.25Å; W1138-Y1142 WeakPolarHBondContact O-CB 2.98Å; W1138-Y1142 PolarHBondContact O-N 3.34Å
1139	R	93.2	Very high	89.3	Confident	119 Å²	119	52.5 Å²	52.5	45%	0.449	27%	0.269	S	S	.	.	H	α-helix	trans	-63.5	-47	178.1	-70.9	179.5	-176.5	-106.4	5.6	111.5	W1044 E1135 M1141 Y1142 D1143	W1044-R1139 HydrophobicContact CB-CG 4.37Å; E1135-R1139 HydrophobicContact CG-CG 4.45Å; E1135-R1139 WeakPolarHBondContact O-CG 3.42Å; E1135-R1139 PolarHBondContact O-N 2.62Å; E1135-R1139 IonicContact OE1-CZ 3.76Å; E1135-R1139 VanDerWaalsContact OE1-CZ 3.22Å; E1135-R1139 IonicContact OE1-NE 3.08Å; E1135-R1139 PolarHBondContact OE1-NE 3.45Å; E1135-R1139 IonicContact OE1-NH2 3.64Å; E1135-R1139 PolarHBondContact OE1-NH2 2.96Å; R1139-M1141 PolarHBondContact O-N 2.87Å; R1139-Y1142 WeakPolarHBondContact O-CB 3.33Å; R1139-Y1142 PolarHBondContact O-N 3.28Å; R1139-D1143 PolarHBondContact O-N 2.94Å
1140	E	89.9	Confident	88.7	Confident	86 Å²	86	52.5 Å²	52.5	40%	0.402	27%	0.268	S	S	.	.	H	α-helix	trans	-60.5	-44.7	178.5	-170.6	-172.2	169.9	0	0	112.1	K1081 P1136 I1137 D1143 S1144 Y1153	K1081-E1140 IonicContact NZ-OE1 3.77Å; K1081-E1140 PolarHBondContact NZ-OE1 3Å; P1136-E1140 WeakPolarHBondContact O-CB 3.44Å; P1136-E1140 PolarHBondContact O-N 2.95Å; I1137-E1140 PolarHBondContact O-N 2.78Å; E1140-D1143 PolarHBondContact O-N 3.46Å; E1140-S1144 WeakPolarHBondContact O-CB 3.27Å; E1140-S1144 PolarHBondContact O-N 3.23Å; E1140-Y1153 HydrophobicContact CG-CE2 4.21Å
1141	M	88.8	Confident	88	Confident	7 Å²	7	50.4 Å²	50.4	3%	0.034	26%	0.256	C	S	.	.	H	α-helix	trans	-63.1	-44.4	174.9	-78.8	-169.9	75.7	0	0	112.2	T1083 A1084 P1108 Y1109 I1137 R1139 D1143 S1144 S1145 Y1153	T1083-M1141 HydrophobicContact CG2-CE 3.74Å; T1083-M1141 HydrophobicContact CG2-SD 3.94Å; A1084-M1141 PolarHBondContact N-SD 2.88Å; A1084-M1141 VanDerWaalsContact N-SD 3.45Å; P1108-M1141 HydrophobicContact CB-CB 4.03Å; P1108-M1141 HydrophobicContact CG-CB 3.76Å; P1108-M1141 HydrophobicContact CG-CE 4.44Å; P1108-M1141 HydrophobicContact CG-SD 4.13Å; Y1109-M1141 HydrophobicContact CD1-CE 4.2Å; Y1109-M1141 HydrophobicContact CE1-CE 3.99Å; I1137-M1141 HydrophobicContact CG2-CG 4.33Å; I1137-M1141 HydrophobicContact CG2-SD 4.23Å; I1137-M1141 VanDerWaalsContact O-CB 3.29Å; I1137-M1141 WeakPolarHBondContact O-CB 3.16Å; I1137-M1141 VanDerWaalsContact O-CG 3.27Å; I1137-M1141 WeakPolarHBondContact O-CG 3.25Å; I1137-M1141 PolarHBondContact O-N 3.4Å; R1139-M1141 PolarHBondContact O-N 2.87Å; M1141-D1143 VanDerWaalsContact C-N 3.35Å; M1141-S1144 PolarHBondContact O-N 2.94Å; M1141-S1145 VanDerWaalsContact O-CB 3.28Å; M1141-S1145 WeakPolarHBondContact O-CB 3.42Å; M1141-S1145 PolarHBondContact O-N 2.91Å; M1141-S1145 PolarHBondContact O-OG 3.23Å; M1141-Y1153 HydrophobicContact CE-CE1 4.35Å; M1141-Y1153 HydrophobicContact CG-CD1 4.38Å; M1141-Y1153 HydrophobicContact CG-CE1 3.59Å; M1141-Y1153 HydrophobicContact CG-CE2 4.01Å; M1141-Y1153 VanDerWaalsContact CG-OH 3.3Å; M1141-Y1153 WeakPolarHBondContact CG-OH 3.28Å; M1141-Y1153 HydrophobicContact SD-CE1 4.26Å
1142	Y	90.1	Very high	87.5	Confident	23 Å²	23	50.7 Å²	50.7	9%	0.09	26%	0.255	C	S	.	.	H	α-helix	trans	-56.1	-52.8	177	-178.2	-103.3	0	0	0	109.2	E1039 M1042 L1043 P1108 W1138 R1139 S1145 R1176	E1039-Y1142 PolarHBondContact OE1-OH 3.49Å; M1042-Y1142 WeakPolarHBondContact O-CD2 3.35Å; L1043-Y1142 HydrophobicContact CD2-CD1 4.13Å; L1043-Y1142 HydrophobicContact CD2-CE1 3.33Å; L1043-Y1142 HydrophobicContact CD2-CE2 4.26Å; L1043-Y1142 VanDerWaalsContact CD2-CZ 3.46Å; L1043-Y1142 WeakPolarHBondContact CD2-OH 3.44Å; L1043-Y1142 HydrophobicContact CG-CE1 4.27Å; L1043-Y1142 HydrophobicContact CG-CE2 4.39Å; P1108-Y1142 WeakPolarHBondContact O-CD2 3.3Å; W1138-Y1142 VanDerWaalsContact O-CB 3.25Å; W1138-Y1142 WeakPolarHBondContact O-CB 2.98Å; W1138-Y1142 PolarHBondContact O-N 3.34Å; R1139-Y1142 WeakPolarHBondContact O-CB 3.33Å; R1139-Y1142 PolarHBondContact O-N 3.28Å; Y1142-S1145 PolarHBondContact O-N 3.1Å; Y1142-S1145 PolarHBondContact O-OG 2.85Å; Y1142-R1176 VanDerWaalsContact CZ-NH1 3.33Å; Y1142-R1176 PolarHBondContact O-NH1 2.76Å
1143	D	90.6	Very high	87.1	Confident	102 Å²	102	44 Å²	44	55%	0.545	23%	0.226	S	C	.	.	H	α-helix	trans	-64.2	-43.3	-177.9	-67.3	-20.9	0	0	0	112.8	R1139 E1140 M1141 S1145 D1146	R1139-D1143 PolarHBondContact O-N 2.94Å; E1140-D1143 PolarHBondContact O-N 3.46Å; M1141-D1143 VanDerWaalsContact C-N 3.35Å; D1143-S1145 VanDerWaalsContact C-N 3.28Å; D1143-S1145 PolarHBondContact O-N 2.98Å; D1143-D1146 WeakPolarHBondContact O-CB 3.45Å; D1143-D1146 PolarHBondContact O-N 2.72Å
1144	S	87.2	Confident	86.3	Confident	22 Å²	22	43.7 Å²	43.7	15%	0.154	22%	0.219	C	C	.	.	H	α-helix	trans	-63.4	-34.7	176.9	-179.1	0	0	0	0	112.5	E1140 M1141 D1146 T1147 N1148	E1140-S1144 WeakPolarHBondContact O-CB 3.27Å; E1140-S1144 PolarHBondContact O-N 3.23Å; M1141-S1144 PolarHBondContact O-N 2.94Å; S1144-D1146 PolarHBondContact O-N 2.86Å; S1144-T1147 PolarHBondContact O-N 2.77Å; S1144-N1148 WeakPolarHBondContact O-CB 3.49Å; S1144-N1148 PolarHBondContact O-N 3.33Å
1145	S	88.5	Confident	85.5	Confident	5 Å²	5	48 Å²	48	4%	0.035	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.5	-7.3	-175.3	69.3	0	0	0	0	114.5	M1141 Y1142 D1143 G1174 K1175 R1176	M1141-S1145 VanDerWaalsContact O-CB 3.28Å; M1141-S1145 WeakPolarHBondContact O-CB 3.42Å; M1141-S1145 PolarHBondContact O-N 2.91Å; M1141-S1145 PolarHBondContact O-OG 3.23Å; Y1142-S1145 PolarHBondContact O-N 3.1Å; Y1142-S1145 PolarHBondContact O-OG 2.85Å; D1143-S1145 VanDerWaalsContact C-N 3.28Å; D1143-S1145 PolarHBondContact O-N 2.98Å; S1145-G1174 WeakPolarHBondContact CB-O 3.32Å; S1145-K1175 CarbonylContact O-C 3.3Å; S1145-K1175 VanDerWaalsContact O-CA 3.29Å; S1145-K1175 WeakPolarHBondContact O-CA 3.24Å; S1145-R1176 PolarHBondContact O-N 3.28Å; S1145-R1176 WeakPolarHBondContact OG-CB 3.38Å; S1145-R1176 WeakPolarHBondContact OG-CD 3.41Å
1146	D	86	Confident	84	Confident	69 Å²	69	52.9 Å²	52.9	37%	0.369	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-45.8	174.5	-160.2	60.9	0	0	0	112.2	D1143 S1144 R1176 V1177	D1143-D1146 WeakPolarHBondContact O-CB 3.45Å; D1143-D1146 PolarHBondContact O-N 2.72Å; S1144-D1146 PolarHBondContact O-N 2.86Å; D1146-R1176 IonicContact OD1-CZ 3.23Å; D1146-R1176 IonicContact OD1-NE 2.74Å; D1146-R1176 PolarHBondContact OD1-NE 2.87Å; D1146-R1176 IonicContact OD1-NH2 3.85Å; D1146-R1176 PolarHBondContact OD1-NH2 3.46Å; D1146-V1177 WeakPolarHBondContact OD1-CG2 3.34Å
1147	T	81.3	Confident	82.3	Confident	84 Å²	84	52.4 Å²	52.4	52%	0.515	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-118.5	-31.9	-173	53.6	0	0	0	0	112.8	S1144 K1175	S1144-T1147 PolarHBondContact O-N 2.77Å; T1147-K1175 WeakPolarHBondContact O-CE 3.41Å; T1147-K1175 PolarHBondContact O-NZ 3.26Å
1148	N	84.3	Confident	80.6	Confident	55 Å²	55	53.9 Å²	53.9	29%	0.294	26%	0.264	S	S	.	.	S	Bend	trans	-102.4	140.6	-173.2	-61	-42.9	0	0	0	111.4	S1144 I1152	S1144-N1148 WeakPolarHBondContact O-CB 3.49Å; S1144-N1148 PolarHBondContact O-N 3.33Å; N1148-I1152 HydrophobicContact CB-CB 4.15Å; N1148-I1152 HydrophobicContact CB-CG2 3.96Å
1149	C	83.4	Confident	79	Confident	0 Å²	0	61.7 Å²	61.7	0%	0	30%	0.301	C	S	.	.			trans	-71.2	160.4	170.6	71.1	0	0	0	0	110.8	H1151 I1152 Y1153 C1171 M1173 K1175	C1149-H1151 PolarHBondContact O-N 3.45Å; C1149-H1151 VanDerWaalsContact O-N 3.13Å; C1149-I1152 PolarHBondContact O-N 3.06Å; C1149-I1152 VanDerWaalsContact SG-CG1 3.53Å; C1149-I1152 PolarHBondContact SG-N 3.38Å; C1149-Y1153 PolarHBondContact O-N 3.4Å; C1149-Y1153 VanDerWaalsContact O-N 3.11Å; C1149-C1171 HydrophobicContact CB-CB 4.09Å; C1149-C1171 WeakPolarHBondContact CB-O 3.22Å; C1149-M1173 CarbonylContact C-O 3.48Å; C1149-M1173 VanDerWaalsContact CA-O 3.22Å; C1149-M1173 WeakPolarHBondContact CA-O 3.4Å; C1149-M1173 WeakPolarHBondContact CB-O 3.16Å; C1149-K1175 HydrophobicContact CB-CG 4.44Å
1150	Q	79.2	Confident	77.2	Confident	16 Å²	16	57 Å²	57	8%	0.075	29%	0.289	C	S	.	.	H	α-helix	trans	-57.4	-31.4	178.8	68.8	-179.3	8.3	0	0	112.4	Y1109 Y1153 W1154 M1173	Y1109-Q1150 PolarHBondContact OH-OE1 3.1Å; Q1150-Y1153 WeakPolarHBondContact O-CB 3.27Å; Q1150-Y1153 PolarHBondContact O-N 2.89Å; Q1150-W1154 HydrophobicContact CB-CZ2 4.39Å; Q1150-W1154 HydrophobicContact CG-CE3 4.41Å; Q1150-W1154 HydrophobicContact CG-CH2 4.02Å; Q1150-W1154 HydrophobicContact CG-CZ2 4.38Å; Q1150-W1154 HydrophobicContact CG-CZ3 4.04Å; Q1150-W1154 VanDerWaalsContact O-CG 3.29Å; Q1150-W1154 PolarHBondContact O-N 3.36Å; Q1150-M1173 HydrophobicContact CG-CG 3.98Å; Q1150-M1173 PolarHBondContact N-O 2.81Å
1151	H	77.4	Confident	76.2	Confident	54 Å²	54	57.5 Å²	57.5	25%	0.25	29%	0.29	C	S	.	.	H	α-helix	trans	-65.4	-44.1	177.5	-52.7	126.8	0	0	0	111.3	C1149 Y1153 W1154 Y1155 C1162 C1171	C1149-H1151 PolarHBondContact O-N 3.45Å; C1149-H1151 VanDerWaalsContact O-N 3.13Å; H1151-Y1153 VanDerWaalsContact C-N 3.3Å; H1151-Y1153 PolarHBondContact O-N 2.95Å; H1151-W1154 AromaticContact CD2-CZ3 3.96Å; H1151-W1154 PolarHBondContact O-N 3.36Å; H1151-Y1155 WeakPolarHBondContact O-CB 3.22Å; H1151-Y1155 WeakPolarHBondContact O-CD2 3.35Å; H1151-Y1155 PolarHBondContact O-N 3.08Å; H1151-C1162 HydrophobicContact CB-CB 4.12Å; H1151-C1171 PolarHBondContact ND1-SG 3.45Å
1152	I	79.8	Confident	75.2	Confident	36 Å²	36	57.5 Å²	57.5	19%	0.185	29%	0.29	C	S	.	.	H	α-helix	trans	-63.7	-40.4	176.1	-68.1	168.2	0	0	0	110.3	N1148 C1149 W1156 C1162	N1148-I1152 HydrophobicContact CB-CB 4.15Å; N1148-I1152 HydrophobicContact CB-CG2 3.96Å; C1149-I1152 PolarHBondContact O-N 3.06Å; C1149-I1152 VanDerWaalsContact SG-CG1 3.53Å; C1149-I1152 PolarHBondContact SG-N 3.38Å; I1152-W1156 WeakPolarHBondContact O-CA 3.3Å; I1152-W1156 PolarHBondContact O-N 3.16Å; I1152-C1162 HydrophobicContact CD1-CB 4.38Å; I1152-C1162 HydrophobicContact CG1-CB 3.8Å
1153	Y	80.7	Confident	74.3	Confident	8 Å²	8	64 Å²	64	3%	0.031	32%	0.319	C	S	.	.	H	α-helix	trans	-60.7	-49.7	176.8	173.3	-98	0	0	0	111.9	K1081 P1082 E1140 M1141 C1149 Q1150 H1151 W1156	K1081-Y1153 HydrophobicContact CB-CD1 4.4Å; K1081-Y1153 HydrophobicContact CB-CE1 3.79Å; K1081-Y1153 HydrophobicContact CD-CD2 4.22Å; K1081-Y1153 HydrophobicContact CD-CE1 4.46Å; K1081-Y1153 HydrophobicContact CD-CE2 3.77Å; P1082-Y1153 PolarHBondContact O-OH 3.24Å; E1140-Y1153 HydrophobicContact CG-CE2 4.21Å; M1141-Y1153 HydrophobicContact CE-CE1 4.35Å; M1141-Y1153 HydrophobicContact CG-CD1 4.38Å; M1141-Y1153 HydrophobicContact CG-CE1 3.59Å; M1141-Y1153 HydrophobicContact CG-CE2 4.01Å; M1141-Y1153 VanDerWaalsContact CG-OH 3.3Å; M1141-Y1153 WeakPolarHBondContact CG-OH 3.28Å; M1141-Y1153 HydrophobicContact SD-CE1 4.26Å; C1149-Y1153 PolarHBondContact O-N 3.4Å; C1149-Y1153 VanDerWaalsContact O-N 3.11Å; Q1150-Y1153 WeakPolarHBondContact O-CB 3.27Å; Q1150-Y1153 PolarHBondContact O-N 2.89Å; H1151-Y1153 VanDerWaalsContact C-N 3.3Å; H1151-Y1153 PolarHBondContact O-N 2.95Å; Y1153-W1156 WeakPolarHBondContact O-CB 3.29Å; Y1153-W1156 PolarHBondContact O-N 3.01Å
1154	W	74	Confident	73.1	Confident	67 Å²	67	60.9 Å²	60.9	25%	0.254	31%	0.307	S	S	.	.	H	α-helix	trans	-63	-46	179.7	-69.1	-28.9	0	0	0	112.3	L1080 K1081 T1083 Q1150 H1151 W1156	L1080-W1154 WeakPolarHBondContact CA-O 3.25Å; L1080-W1154 HydrophobicContact CD2-CB 3.8Å; K1081-W1154 PolarHBondContact N-O 3.49Å; T1083-W1154 PolarHBondContact OG1-NE1 2.98Å; Q1150-W1154 HydrophobicContact CB-CZ2 4.39Å; Q1150-W1154 HydrophobicContact CG-CE3 4.41Å; Q1150-W1154 HydrophobicContact CG-CH2 4.02Å; Q1150-W1154 HydrophobicContact CG-CZ2 4.38Å; Q1150-W1154 HydrophobicContact CG-CZ3 4.04Å; Q1150-W1154 VanDerWaalsContact O-CG 3.29Å; Q1150-W1154 PolarHBondContact O-N 3.36Å; H1151-W1154 AromaticContact CD2-CZ3 3.96Å; H1151-W1154 PolarHBondContact O-N 3.36Å; W1154-W1156 VanDerWaalsContact C-N 3.3Å; W1154-W1156 PolarHBondContact O-N 2.8Å
1155	Y	72.7	Confident	72.2	Confident	90 Å²	90	62.2 Å²	62.2	35%	0.353	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.9	18.4	-177.3	-66.7	-72.3	0	0	0	114.1	L1080 H1151 A1157 V1158 G1160	L1080-Y1155 HydrophobicContact CD2-CD1 4.05Å; L1080-Y1155 HydrophobicContact CD2-CE1 3.75Å; L1080-Y1155 HydrophobicContact CD2-CE2 4.49Å; H1151-Y1155 WeakPolarHBondContact O-CB 3.22Å; H1151-Y1155 WeakPolarHBondContact O-CD2 3.35Å; H1151-Y1155 PolarHBondContact O-N 3.08Å; Y1155-A1157 PolarHBondContact O-N 3.12Å; Y1155-A1157 VanDerWaalsContact O-N 3.16Å; Y1155-V1158 CarbonylContact O-C 3.4Å; Y1155-V1158 WeakPolarHBondContact O-CA 3.4Å; Y1155-V1158 PolarHBondContact O-N 3.28Å; Y1155-G1160 WeakPolarHBondContact O-CA 3.32Å; Y1155-G1160 PolarHBondContact O-N 3.38Å
1156	W	63.1	Low	71.2	Confident	165 Å²	165	68.6 Å²	68.6	63%	0.625	35%	0.347	S	S	*	.	G	3₁₀ helix	trans	-55	-38.1	-176	-172.1	82.4	0	0	0	112.5	K1081 I1152 Y1153 W1154 V1158	K1081-W1156 HydrophobicContact CD-CB 4.44Å; I1152-W1156 WeakPolarHBondContact O-CA 3.3Å; I1152-W1156 PolarHBondContact O-N 3.16Å; Y1153-W1156 WeakPolarHBondContact O-CB 3.29Å; Y1153-W1156 PolarHBondContact O-N 3.01Å; W1154-W1156 VanDerWaalsContact C-N 3.3Å; W1154-W1156 PolarHBondContact O-N 2.8Å; W1156-V1158 VanDerWaalsContact C-N 3.29Å; W1156-V1158 PolarHBondContact O-N 2.86Å
1157	A	56.4	Low	70.3	Confident	66 Å²	66	69.3 Å²	69.3	55%	0.545	36%	0.357	S	S	.	.	G	3₁₀ helix	trans	-68.9	-21.3	176.5	0	0	0	0	0	114.3	Y1155	Y1155-A1157 PolarHBondContact O-N 3.12Å; Y1155-A1157 VanDerWaalsContact O-N 3.16Å
1158	V	53.1	Low	69.4	Low	57 Å²	57	68.5 Å²	68.5	35%	0.345	37%	0.366	S	S	.	.	G	3₁₀ helix	trans	-107.9	47.4	179.6	-163.9	0	0	0	0	109.8	R1079 Y1155 W1156 G1160 K1161	R1079-V1158 HydrophobicContact CB-CG2 4.33Å; R1079-V1158 HydrophobicContact CG-CG2 4.33Å; Y1155-V1158 CarbonylContact O-C 3.4Å; Y1155-V1158 WeakPolarHBondContact O-CA 3.4Å; Y1155-V1158 PolarHBondContact O-N 3.28Å; W1156-V1158 VanDerWaalsContact C-N 3.29Å; W1156-V1158 PolarHBondContact O-N 2.86Å; V1158-G1160 VanDerWaalsContact C-N 3.31Å; V1158-G1160 PolarHBondContact O-N 3.29Å; V1158-K1161 WeakPolarHBondContact O-CG 3.42Å
1159	H	59.7	Low	68.3	Low	165 Å²	165	70.6 Å²	70.6	76%	0.764	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	60	26.3	-179	-56.5	-77.8	0	0	0	115.9	K1161	H1159-K1161 VanDerWaalsContact C-N 3.28Å; H1159-K1161 HydrophobicContact CB-CG 4.27Å; H1159-K1161 PolarHBondContact O-N 3.03Å
1160	G	55.4	Low	67.5	Low	20 Å²	20	75.8 Å²	75.8	21%	0.206	40%	0.401	C	S	.	.	T	Hydrogen-bonded Turn	trans	60.2	32.9	171.6	0	0	0	0	0	114.4	Y1155 V1158 C1162	Y1155-G1160 WeakPolarHBondContact O-CA 3.32Å; Y1155-G1160 PolarHBondContact O-N 3.38Å; V1158-G1160 VanDerWaalsContact C-N 3.31Å; V1158-G1160 PolarHBondContact O-N 3.29Å; G1160-C1162 PolarHBondContact O-N 3.32Å
1161	K	67.4	Low	67	Low	97 Å²	97	75.9 Å²	75.9	42%	0.422	40%	0.403	S	S	.	.			trans	-78.8	92.6	-171.6	-60.9	-179.6	175.9	172.4	0	111.7	V1158 H1159 K1166	V1158-K1161 WeakPolarHBondContact O-CG 3.42Å; H1159-K1161 VanDerWaalsContact C-N 3.28Å; H1159-K1161 HydrophobicContact CB-CG 4.27Å; H1159-K1161 PolarHBondContact O-N 3.03Å; K1161-K1166 HydrophobicContact CB-CD 4.37Å; K1161-K1166 HydrophobicContact CG-CD 4.45Å
1162	C	68.6	Low	66.8	Low	6 Å²	6	75.7 Å²	75.7	4%	0.041	40%	0.402	C	S	.	.			trans	-79.4	121.1	158	174.8	0	0	0	0	108.9	H1151 I1152 G1160 A1164 A1165 K1166 C1171	H1151-C1162 HydrophobicContact CB-CB 4.12Å; I1152-C1162 HydrophobicContact CD1-CB 4.38Å; I1152-C1162 HydrophobicContact CG1-CB 3.8Å; G1160-C1162 PolarHBondContact O-N 3.32Å; C1162-A1164 VanDerWaalsContact C-N 3.27Å; C1162-A1164 PolarHBondContact O-N 3.32Å; C1162-A1165 HydrophobicContact CB-CB 3.83Å; C1162-A1165 PolarHBondContact O-N 2.9Å; C1162-A1165 VanDerWaalsContact O-N 3.13Å; C1162-K1166 PolarHBondContact O-N 3.27Å; C1162-C1171 VanDerWaalsContact SG-CB 3.53Å
1163	K	70.5	Confident	66.5	Low	161 Å²	161	76.1 Å²	76.1	70%	0.7	40%	0.404	S	S	*	.	H	α-helix	trans	-51.8	-46.8	177.7	-75.1	-178.6	-179.5	171.7	0	111.3	A1165 K1166 S1167	K1163-A1165 PolarHBondContact O-N 3.01Å; K1163-K1166 WeakPolarHBondContact O-CB 3.45Å; K1163-K1166 PolarHBondContact O-N 3.43Å; K1163-S1167 PolarHBondContact O-N 2.71Å; K1163-S1167 PolarHBondContact O-OG 2.91Å
1164	A	66.6	Low	66.3	Low	35 Å²	35	75.8 Å²	75.8	29%	0.289	40%	0.403	S	S	.	.	H	α-helix	trans	-59.6	-47.7	177.2	0	0	0	0	0	112.6	C1162 K1166 S1167 G1168 H1169 C1171	C1162-A1164 VanDerWaalsContact C-N 3.27Å; C1162-A1164 PolarHBondContact O-N 3.32Å; A1164-K1166 VanDerWaalsContact C-N 3.28Å; A1164-K1166 PolarHBondContact O-N 3.21Å; A1164-S1167 PolarHBondContact O-N 2.85Å; A1164-G1168 PolarHBondContact O-N 2.85Å; A1164-H1169 CarbonylContact C-O 3.47Å; A1164-H1169 HydrophobicContact CB-CB 4.19Å; A1164-H1169 WeakPolarHBondContact O-CA 3.33Å; A1164-H1169 VanDerWaalsContact O-CB 3.32Å; A1164-H1169 WeakPolarHBondContact O-CB 3.13Å; A1164-H1169 PolarHBondContact O-N 3.3Å; A1164-C1171 HydrophobicContact CB-CB 4.16Å
1165	A	67.7	Low	66.8	Low	50 Å²	50	75 Å²	75	41%	0.413	40%	0.401	S	S	.	.	H	α-helix	trans	-63.1	-34.6	178.4	0	0	0	0	0	112.6	C1162 K1163 G1168 H1169	C1162-A1165 HydrophobicContact CB-CB 3.83Å; C1162-A1165 PolarHBondContact O-N 2.9Å; C1162-A1165 VanDerWaalsContact O-N 3.13Å; K1163-A1165 PolarHBondContact O-N 3.01Å; A1165-G1168 PolarHBondContact O-N 3.18Å; A1165-H1169 VanDerWaalsContact CA-O 3.32Å; A1165-H1169 WeakPolarHBondContact CA-O 3.34Å; A1165-H1169 PolarHBondContact N-O 3.34Å
1166	K	67.4	Low	67.4	Low	139 Å²	139	72 Å²	72	60%	0.604	39%	0.39	S	S	*	.	H	α-helix	trans	-66.5	-38.8	174.3	-87.9	-170.7	159.5	-155	0	113.3	K1161 C1162 K1163 A1164 G1168	K1161-K1166 HydrophobicContact CB-CD 4.37Å; K1161-K1166 HydrophobicContact CG-CD 4.45Å; C1162-K1166 PolarHBondContact O-N 3.27Å; K1163-K1166 WeakPolarHBondContact O-CB 3.45Å; K1163-K1166 PolarHBondContact O-N 3.43Å; A1164-K1166 VanDerWaalsContact C-N 3.28Å; A1164-K1166 PolarHBondContact O-N 3.21Å; K1166-G1168 PolarHBondContact O-N 2.97Å; K1166-G1168 VanDerWaalsContact O-N 3.17Å
1167	S	67.3	Low	68.5	Low	85 Å²	85	65.5 Å²	65.5	59%	0.594	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.9	6.3	175.2	-54.4	0	0	0	0	113	K1163 A1164 H1169	K1163-S1167 PolarHBondContact O-N 2.71Å; K1163-S1167 PolarHBondContact O-OG 2.91Å; A1164-S1167 PolarHBondContact O-N 2.85Å; S1167-H1169 VanDerWaalsContact C-N 3.29Å; S1167-H1169 PolarHBondContact O-N 2.99Å
1168	G	62.6	Low	69.8	Low	67 Å²	67	63.7 Å²	63.7	69%	0.691	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.8	7.7	-176.2	0	0	0	0	0	114.2	A1164 A1165 K1166	A1164-G1168 PolarHBondContact O-N 2.85Å; A1165-G1168 PolarHBondContact O-N 3.18Å; K1166-G1168 PolarHBondContact O-N 2.97Å; K1166-G1168 VanDerWaalsContact O-N 3.17Å
1169	H	61.4	Low	71.3	Confident	98 Å²	98	64.2 Å²	64.2	45%	0.454	35%	0.346	S	S	.	.			trans	-87.9	140	177.7	-58	-58.8	0	0	0	111.9	A1164 A1165 S1167 C1171	A1164-H1169 CarbonylContact C-O 3.47Å; A1164-H1169 HydrophobicContact CB-CB 4.19Å; A1164-H1169 WeakPolarHBondContact O-CA 3.33Å; A1164-H1169 VanDerWaalsContact O-CB 3.32Å; A1164-H1169 WeakPolarHBondContact O-CB 3.13Å; A1164-H1169 PolarHBondContact O-N 3.3Å; A1165-H1169 VanDerWaalsContact CA-O 3.32Å; A1165-H1169 WeakPolarHBondContact CA-O 3.34Å; A1165-H1169 PolarHBondContact N-O 3.34Å; S1167-H1169 VanDerWaalsContact C-N 3.29Å; S1167-H1169 PolarHBondContact O-N 2.99Å; H1169-C1171 PolarHBondContact O-N 3.31Å
1170	L	66.6	Low	72.6	Confident	110 Å²	110	57.5 Å²	57.5	58%	0.576	32%	0.315	S	S	*	.			trans	-72.7	110.9	176.1	-148.5	86.4	0	0	0	109.9	E1172	L1170-E1172 HydrophobicContact CD2-CG 4.13Å
1171	C	69.5	Low	74.2	Confident	18 Å²	18	58.2 Å²	58.2	12%	0.122	31%	0.313	C	S	.	.			trans	-90.8	111.2	173.9	-170.7	0	0	0	0	110.5	C1149 H1151 C1162 A1164 H1169 K1175	C1149-C1171 HydrophobicContact CB-CB 4.09Å; C1149-C1171 WeakPolarHBondContact CB-O 3.22Å; H1151-C1171 PolarHBondContact ND1-SG 3.45Å; C1162-C1171 VanDerWaalsContact SG-CB 3.53Å; A1164-C1171 HydrophobicContact CB-CB 4.16Å; H1169-C1171 PolarHBondContact O-N 3.31Å; C1171-K1175 VanDerWaalsContact O-CE 3.24Å; C1171-K1175 WeakPolarHBondContact O-CE 3.37Å
1172	E	72	Confident	75.2	Confident	49 Å²	49	53.7 Å²	53.7	23%	0.229	29%	0.293	C	S	.	.			trans	-100.3	3.1	177.8	-60.8	-168.1	163.3	0	0	113.7	L1170 G1174 K1175 R1178	L1170-E1172 HydrophobicContact CD2-CG 4.13Å; E1172-G1174 PolarHBondContact O-N 3.22Å; E1172-K1175 PolarHBondContact O-N 3.29Å; E1172-R1178 PolarHBondContact O-NH2 3.22Å; E1172-R1178 WeakPolarHBondContact OE2-CD 3.3Å; E1172-R1178 IonicContact OE2-NE 3.02Å
1173	M	73.5	Confident	76.1	Confident	46 Å²	46	53.4 Å²	53.4	23%	0.227	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.1	122.8	-175.7	-173.3	60.2	73.7	0	0	111	E79 C1149 Q1150 K1175	E79-M1173 HydrophobicContact CG-SD 4.22Å; C1149-M1173 CarbonylContact C-O 3.48Å; C1149-M1173 VanDerWaalsContact CA-O 3.22Å; C1149-M1173 WeakPolarHBondContact CA-O 3.4Å; C1149-M1173 WeakPolarHBondContact CB-O 3.16Å; Q1150-M1173 HydrophobicContact CG-CG 3.98Å; Q1150-M1173 PolarHBondContact N-O 2.81Å; M1173-K1175 PolarHBondContact O-N 2.76Å
1174	G	77	Confident	76.9	Confident	1 Å²	1	46.2 Å²	46.2	1%	0.01	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	67.2	14.3	-177.1	0	0	0	0	0	115.6	Y1109 S1145 E1172	Y1109-G1174 WeakPolarHBondContact CB-O 3.46Å; S1145-G1174 WeakPolarHBondContact CB-O 3.32Å; E1172-G1174 PolarHBondContact O-N 3.22Å
1175	K	84.3	Confident	77.6	Confident	50 Å²	50	45.4 Å²	45.4	22%	0.217	26%	0.256	C	S	.	.			trans	-77.6	135	165	-69.5	-165.6	179.7	-167.7	0	109.8	S1145 T1147 C1149 C1171 E1172 M1173	S1145-K1175 CarbonylContact O-C 3.3Å; S1145-K1175 VanDerWaalsContact O-CA 3.29Å; S1145-K1175 WeakPolarHBondContact O-CA 3.24Å; T1147-K1175 WeakPolarHBondContact O-CE 3.41Å; T1147-K1175 PolarHBondContact O-NZ 3.26Å; C1149-K1175 HydrophobicContact CB-CG 4.44Å; C1171-K1175 VanDerWaalsContact O-CE 3.24Å; C1171-K1175 WeakPolarHBondContact O-CE 3.37Å; E1172-K1175 PolarHBondContact O-N 3.29Å; M1173-K1175 PolarHBondContact O-N 2.76Å
1176	R	86.1	Confident	78.2	Confident	28 Å²	28	43.1 Å²	43.1	11%	0.106	24%	0.237	C	C	.	.	S	Bend	trans	-79.2	-30.1	176.7	78.2	-177.9	178.7	-164	8	112.6	E1039 R1040 Y1142 S1145 D1146	E1039-R1176 CarbonylContact C-O 3.52Å; E1039-R1176 WeakPolarHBondContact CA-O 3.45Å; E1039-R1176 HydrophobicContact CG-CG 4.48Å; R1040-R1176 PolarHBondContact N-O 3.49Å; Y1142-R1176 VanDerWaalsContact CZ-NH1 3.33Å; Y1142-R1176 PolarHBondContact O-NH1 2.76Å; S1145-R1176 PolarHBondContact O-N 3.28Å; S1145-R1176 WeakPolarHBondContact OG-CB 3.38Å; S1145-R1176 WeakPolarHBondContact OG-CD 3.41Å; D1146-R1176 IonicContact OD1-CZ 3.23Å; D1146-R1176 IonicContact OD1-NE 2.74Å; D1146-R1176 PolarHBondContact OD1-NE 2.87Å; D1146-R1176 IonicContact OD1-NH2 3.85Å; D1146-R1176 PolarHBondContact OD1-NH2 3.46Å
1177	V	85.2	Confident	78.7	Confident	28 Å²	28	36.5 Å²	36.5	17%	0.17	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	127.8	178.1	176.8	0	0	0	0	109.6	S1037 V1038 E1039 D1146 M1179	S1037-V1177 WeakPolarHBondContact OG-CG1 3.38Å; V1038-V1177 WeakPolarHBondContact O-CA 3.37Å; E1039-V1177 HydrophobicContact CB-CG2 4.25Å; E1039-V1177 HydrophobicContact CG-CG2 4.12Å; D1146-V1177 WeakPolarHBondContact OD1-CG2 3.34Å; V1177-M1179 HydrophobicContact CG1-SD 4.35Å
1178	R	83.5	Confident	79.1	Confident	28 Å²	28	32.6 Å²	32.6	11%	0.106	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	141.6	169.9	-69.2	-169.2	-176.9	165	6.7	111.1	E79 S1037 V1038 E1172 F1180	E79-R1178 IonicContact OE2-CZ 3.79Å; E79-R1178 IonicContact OE2-NH2 3.63Å; E79-R1178 PolarHBondContact OE2-NH2 2.65Å; S1037-R1178 CarbonylContact C-O 3.6Å; S1037-R1178 WeakPolarHBondContact CA-O 3.41Å; V1038-R1178 PolarHBondContact N-O 3.16Å; V1038-R1178 PolarHBondContact O-N 3.33Å; E1172-R1178 PolarHBondContact O-NH2 3.22Å; E1172-R1178 WeakPolarHBondContact OE2-CD 3.3Å; E1172-R1178 IonicContact OE2-NE 3.02Å; R1178-F1180 HydrophobicContact CB-CD2 4.46Å; R1178-F1180 HydrophobicContact CB-CE2 3.74Å; R1178-F1180 HydrophobicContact CB-CZ 4.22Å
1179	M	84.7	Confident	79.5	Confident	67 Å²	67	32.1 Å²	32.1	33%	0.33	17%	0.167	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	124.7	179.6	-63.2	-57.6	-69	0	0	109.4	V1015 V1035 V1036 S1037 V1177	V1015-M1179 HydrophobicContact CB-CE 4.36Å; V1015-M1179 HydrophobicContact CG2-CE 3.96Å; V1035-M1179 HydrophobicContact CG1-CE 3.31Å; V1036-M1179 CarbonylContact O-C 3.54Å; V1036-M1179 WeakPolarHBondContact O-CA 3.28Å; S1037-M1179 VanDerWaalsContact CB-SD 3.59Å; V1177-M1179 HydrophobicContact CG1-SD 4.35Å
1180	F	87.2	Confident	79.9	Confident	25 Å²	25	28 Å²	28	11%	0.11	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	133.7	176.8	-65.4	-88.9	0	0	0	110.1	L1005 V1035 V1036 V1038 R1178 I1182 I1244	L1005-F1180 HydrophobicContact CD1-CD2 4.06Å; L1005-F1180 HydrophobicContact CD1-CE2 4.25Å; L1005-F1180 HydrophobicContact CD1-CG 4.21Å; L1005-F1180 HydrophobicContact CD2-CE2 4.49Å; L1005-F1180 HydrophobicContact CD2-CZ 4.48Å; V1035-F1180 WeakPolarHBondContact CA-O 3.44Å; V1036-F1180 PolarHBondContact N-O 2.88Å; V1036-F1180 PolarHBondContact O-N 3.24Å; V1038-F1180 HydrophobicContact CB-CD2 4.34Å; V1038-F1180 HydrophobicContact CB-CE2 3.99Å; V1038-F1180 HydrophobicContact CG2-CD2 3.59Å; V1038-F1180 HydrophobicContact CG2-CE2 3.6Å; R1178-F1180 HydrophobicContact CB-CD2 4.46Å; R1178-F1180 HydrophobicContact CB-CE2 3.74Å; R1178-F1180 HydrophobicContact CB-CZ 4.22Å; F1180-I1182 HydrophobicContact CB-CD1 4.14Å; F1180-I1182 HydrophobicContact CB-CG1 4.11Å; F1180-I1244 HydrophobicContact CD1-CD1 4.19Å; F1180-I1244 HydrophobicContact CD1-CG2 4.47Å
1181	H	88.6	Confident	80.3	Confident	35 Å²	35	23.1 Å²	23.1	16%	0.162	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	117.6	171.4	-62.1	-94	0	0	0	108.7	L1033 H1034 I1244 I1245 N1247 V1250	L1033-H1181 HydrophobicContact CD1-CB 4.36Å; H1034-H1181 CarbonylContact O-C 3.46Å; H1034-H1181 WeakPolarHBondContact O-CA 3.24Å; H1181-I1244 WeakPolarHBondContact O-CA 3.43Å; H1181-I1245 HydrophobicContact CB-CB 4.33Å; H1181-I1245 PolarHBondContact O-N 3.47Å; H1181-N1247 PolarHBondContact CD2-OD1 3.27Å; H1181-N1247 PolarHBondContact NE2-OD1 3.35Å; H1181-V1250 HydrophobicContact CB-CG2 3.72Å
1182	I	89.1	Confident	80.2	Confident	1 Å²	1	25.3 Å²	25.3	1%	0.005	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	115.8	-168.5	-57.4	174.6	0	0	0	108.8	H1034 V1036 F1180 V1230 L1232 L1240 L1243	H1034-I1182 HydrophobicContact CB-CB 4.4Å; H1034-I1182 PolarHBondContact CD2-O 2.98Å; H1034-I1182 PolarHBondContact N-O 2.75Å; H1034-I1182 PolarHBondContact O-N 3.32Å; V1036-I1182 HydrophobicContact CB-CD1 4.23Å; V1036-I1182 HydrophobicContact CG2-CD1 3.97Å; F1180-I1182 HydrophobicContact CB-CD1 4.14Å; F1180-I1182 HydrophobicContact CB-CG1 4.11Å; I1182-V1230 HydrophobicContact CB-CG1 4.35Å; I1182-V1230 HydrophobicContact CD1-CG1 3.69Å; I1182-V1230 HydrophobicContact CG1-CG1 3.84Å; I1182-V1230 HydrophobicContact CG2-CG1 3.64Å; I1182-L1232 HydrophobicContact CD1-CD2 3.13Å; I1182-L1240 HydrophobicContact CG2-CD2 4.17Å; I1182-L1243 CarbonylContact C-O 3.55Å; I1182-L1243 WeakPolarHBondContact CA-O 3.35Å
1183	L	87.8	Confident	79.9	Confident	0 Å²	0	25.1 Å²	25.1	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	119.1	177.4	-167	72.7	0	0	0	109.9	I1031 E1032 L1033 V1187 V1194 G1242 L1243 I1245 L1253 L1257	I1031-L1183 HydrophobicContact CG2-CD1 3.47Å; I1031-L1183 VanDerWaalsContact CG2-CD1 3.47Å; I1031-L1183 HydrophobicContact CG2-CG 4.08Å; E1032-L1183 CarbonylContact O-C 3.57Å; E1032-L1183 WeakPolarHBondContact O-CA 3.15Å; L1033-L1183 HydrophobicContact CB-CD1 4.3Å; L1033-L1183 HydrophobicContact CD1-CB 4.48Å; L1033-L1183 HydrophobicContact CD1-CD1 4.18Å; L1183-V1187 HydrophobicContact CD2-CG1 3.81Å; L1183-V1187 HydrophobicContact CD2-CG2 4.28Å; L1183-V1187 HydrophobicContact CG-CG2 4.18Å; L1183-V1194 HydrophobicContact CD2-CG2 3.84Å; L1183-G1242 CarbonylContact O-C 3.54Å; L1183-G1242 WeakPolarHBondContact O-CA 3.31Å; L1183-L1243 PolarHBondContact N-O 2.95Å; L1183-L1243 PolarHBondContact O-N 3.15Å; L1183-I1245 HydrophobicContact CB-CD1 3.9Å; L1183-I1245 HydrophobicContact CB-CG1 3.78Å; L1183-I1245 HydrophobicContact CD2-CD1 4.19Å; L1183-L1253 HydrophobicContact CD1-CD2 4.36Å; L1183-L1253 HydrophobicContact CD2-CD2 4.29Å; L1183-L1257 HydrophobicContact CD1-CD1 4.11Å
1184	S	86.7	Confident	79.6	Confident	10 Å²	10	23 Å²	23	7%	0.07	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	175.6	178.6	86.1	0	0	0	0	111.4	E1032 H1034 V1241	E1032-S1184 PolarHBondContact N-O 3.42Å; E1032-S1184 PolarHBondContact O-N 2.84Å; H1034-S1184 PolarHBondContact CD2-OG 3.06Å; H1034-S1184 PolarHBondContact NE2-OG 2.79Å; S1184-V1241 WeakPolarHBondContact CB-O 3.48Å
1185	G	82.4	Confident	79	Confident	18 Å²	18	24.4 Å²	24.4	19%	0.186	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	89.3	-143.1	-177.3	0	0	0	0	0	112.5	K1030 V1187	K1030-G1185 WeakPolarHBondContact O-CA 3.41Å; G1185-V1187 PolarHBondContact O-N 2.64Å
1186	S	78.9	Confident	78.1	Confident	2 Å²	2	27.8 Å²	27.8	1%	0.014	15%	0.145	C	C	.	.	S	Bend	trans	-80.6	62.5	-175.5	-170.1	0	0	0	0	114.1	D373 R377 M1029 K1030 V1188 S1189	D373-S1186 WeakPolarHBondContact OD1-CA 3.36Å; D373-S1186 WeakPolarHBondContact OD1-CB 3.45Å; D373-S1186 PolarHBondContact OD1-OG 3Å; R377-S1186 PolarHBondContact NH2-OG 2.97Å; M1029-S1186 VanDerWaalsContact CE-CB 3.41Å; M1029-S1186 WeakPolarHBondContact CE-OG 3.16Å; K1030-S1186 PolarHBondContact O-N 3.45Å; S1186-V1188 PolarHBondContact O-N 2.95Å; S1186-S1189 PolarHBondContact O-N 3.48Å; S1186-S1189 PolarHBondContact O-OG 3.46Å
1187	V	78.8	Confident	77.1	Confident	1 Å²	1	28 Å²	28	1%	0.006	15%	0.147	C	C	.	.	G	3₁₀ helix	trans	-65.1	-28.6	-175	-171.1	0	0	0	0	112.8	I369 L1183 G1185 S1189 T1190 W1191 L1243	I369-V1187 HydrophobicContact CG2-CB 4.02Å; I369-V1187 HydrophobicContact CG2-CG2 4.48Å; L1183-V1187 HydrophobicContact CD2-CG1 3.81Å; L1183-V1187 HydrophobicContact CD2-CG2 4.28Å; L1183-V1187 HydrophobicContact CG-CG2 4.18Å; G1185-V1187 PolarHBondContact O-N 2.64Å; V1187-S1189 PolarHBondContact O-N 3.35Å; V1187-T1190 CarbonylContact O-C 3.56Å; V1187-T1190 PolarHBondContact O-N 3.48Å; V1187-T1190 PolarHBondContact O-OG1 3.3Å; V1187-T1190 VanDerWaalsContact O-OG1 3.14Å; V1187-W1191 HydrophobicContact CG1-CE3 4.2Å; V1187-W1191 HydrophobicContact CG1-CZ3 4.43Å; V1187-W1191 PolarHBondContact O-N 2.87Å; V1187-L1243 HydrophobicContact CB-CD1 4.18Å; V1187-L1243 HydrophobicContact CG1-CD1 3.54Å; V1187-L1243 HydrophobicContact CG2-CD1 4.37Å
1188	V	76.4	Confident	76	Confident	3 Å²	3	27 Å²	27	2%	0.018	14%	0.141	C	C	.	.	G	3₁₀ helix	trans	-60	-34.5	179.5	-178.5	0	0	0	0	111.7	A348 F349 I370 D373 S1186 T1190 W1191	A348-V1188 WeakPolarHBondContact CB-O 3.36Å; F349-V1188 HydrophobicContact CE2-CG1 3.83Å; I370-V1188 HydrophobicContact CG1-CG2 3.92Å; D373-V1188 HydrophobicContact CB-CB 4.17Å; D373-V1188 HydrophobicContact CB-CG2 3.49Å; D373-V1188 VanDerWaalsContact CB-CG2 3.49Å; D373-V1188 WeakPolarHBondContact OD2-CB 3.35Å; S1186-V1188 PolarHBondContact O-N 2.95Å; V1188-T1190 PolarHBondContact O-N 3.3Å; V1188-W1191 WeakPolarHBondContact O-CB 3.24Å; V1188-W1191 PolarHBondContact O-N 3.45Å
1189	S	70.3	Confident	75	Confident	56 Å²	56	28.1 Å²	28.1	39%	0.392	16%	0.156	S	C	.	.	G	3₁₀ helix	trans	-64.6	-25.8	178.6	68.7	0	0	0	0	113.2	S1186 V1187	S1186-S1189 PolarHBondContact O-N 3.48Å; S1186-S1189 PolarHBondContact O-OG 3.46Å; V1187-S1189 PolarHBondContact O-N 3.35Å
1190	T	69.7	Low	73.7	Confident	13 Å²	13	27.2 Å²	27.2	8%	0.08	16%	0.155	C	C	.	.	G	3₁₀ helix	trans	-111.6	12	179.6	52.7	0	0	0	0	112.7	I1031 V1187 V1188 N1192 L1193 V1194 L1257	I1031-T1190 HydrophobicContact CD1-CG2 3.38Å; V1187-T1190 CarbonylContact O-C 3.56Å; V1187-T1190 PolarHBondContact O-N 3.48Å; V1187-T1190 PolarHBondContact O-OG1 3.3Å; V1187-T1190 VanDerWaalsContact O-OG1 3.14Å; V1188-T1190 PolarHBondContact O-N 3.3Å; T1190-N1192 PolarHBondContact O-N 2.89Å; T1190-L1193 HydrophobicContact CG2-CD1 4.34Å; T1190-L1193 WeakPolarHBondContact O-CB 3.47Å; T1190-L1193 PolarHBondContact O-N 3.04Å; T1190-V1194 WeakPolarHBondContact O-CG2 3.16Å; T1190-V1194 PolarHBondContact O-N 3.08Å; T1190-L1257 HydrophobicContact CG2-CD2 4.2Å
1191	W	73.8	Confident	72.2	Confident	6 Å²	6	26.9 Å²	26.9	2%	0.023	16%	0.157	C	C	.	.	H	α-helix	trans	-56.3	-50.2	-167.3	-167	-92.8	0	0	0	113.6	F349 A366 I369 V1187 V1188 L1193 V1194 I1195 L1243	F349-W1191 HydrophobicContact CE1-CB 4.34Å; F349-W1191 AromaticContact CE1-CD1 3.82Å; F349-W1191 HydrophobicContact CE1-CG 4.31Å; F349-W1191 HydrophobicContact CE2-CB 4.47Å; F349-W1191 HydrophobicContact CZ-CB 3.67Å; F349-W1191 AromaticContact CZ-CD1 3.57Å; F349-W1191 AromaticContact CZ-CG 3.68Å; F349-W1191 HydrophobicContact CZ-CG 3.68Å; A366-W1191 HydrophobicContact CB-CH2 3.68Å; A366-W1191 HydrophobicContact CB-CZ2 3.64Å; I369-W1191 HydrophobicContact CB-CZ3 4.11Å; I369-W1191 HydrophobicContact CG2-CZ3 3.79Å; V1187-W1191 HydrophobicContact CG1-CE3 4.2Å; V1187-W1191 HydrophobicContact CG1-CZ3 4.43Å; V1187-W1191 PolarHBondContact O-N 2.87Å; V1188-W1191 WeakPolarHBondContact O-CB 3.24Å; V1188-W1191 PolarHBondContact O-N 3.45Å; W1191-L1193 PolarHBondContact O-N 3.35Å; W1191-V1194 PolarHBondContact O-N 2.91Å; W1191-I1195 VanDerWaalsContact CD1-CD1 3.44Å; W1191-I1195 HydrophobicContact CG-CD1 4.47Å; W1191-I1195 VanDerWaalsContact NE1-CD1 3.27Å; W1191-I1195 WeakPolarHBondContact O-CG1 3.42Å; W1191-I1195 PolarHBondContact O-N 3.24Å; W1191-L1243 HydrophobicContact CH2-CD1 4.33Å; W1191-L1243 HydrophobicContact CZ3-CD1 3.84Å
1192	N	68.5	Low	70.6	Confident	64 Å²	64	28.4 Å²	28.4	34%	0.342	17%	0.166	S	C	.	.	H	α-helix	trans	-61.6	-31.4	179.2	-73.7	-18.4	0	0	0	112.5	A348 F349 T1190 F1196	A348-N1192 PolarHBondContact O-ND2 3.19Å; F349-N1192 WeakPolarHBondContact CE1-OD1 3.12Å; T1190-N1192 PolarHBondContact O-N 2.89Å; N1192-F1196 WeakPolarHBondContact O-CB 3.25Å; N1192-F1196 PolarHBondContact O-N 3.43Å
1193	L	65.7	Low	68.9	Low	45 Å²	45	33.5 Å²	33.5	24%	0.236	19%	0.192	C	C	.	.	H	α-helix	trans	-73.4	-46.3	178.4	-66.6	153.7	0	0	0	111.1	T1190 W1191 I1195 F1196 F1197 Y1256	T1190-L1193 HydrophobicContact CG2-CD1 4.34Å; T1190-L1193 WeakPolarHBondContact O-CB 3.47Å; T1190-L1193 PolarHBondContact O-N 3.04Å; W1191-L1193 PolarHBondContact O-N 3.35Å; L1193-I1195 PolarHBondContact O-N 3.23Å; L1193-F1196 PolarHBondContact O-N 2.96Å; L1193-F1197 HydrophobicContact CB-CD2 4.44Å; L1193-F1197 HydrophobicContact CB-CE2 4.36Å; L1193-F1197 HydrophobicContact CD2-CE2 4.23Å; L1193-F1197 WeakPolarHBondContact O-CD2 3.46Å; L1193-F1197 PolarHBondContact O-N 3.47Å; L1193-Y1256 HydrophobicContact CD1-CD1 4.2Å; L1193-Y1256 HydrophobicContact CD1-CE1 3.31Å; L1193-Y1256 WeakPolarHBondContact CD1-OH 3.28Å; L1193-Y1256 HydrophobicContact CD2-CD2 4.49Å; L1193-Y1256 HydrophobicContact CD2-CE1 3.91Å; L1193-Y1256 HydrophobicContact CD2-CE2 3.83Å; L1193-Y1256 VanDerWaalsContact CD2-CZ 3.5Å; L1193-Y1256 HydrophobicContact CG-CE1 4.12Å
1194	V	66.3	Low	67.2	Low	3 Å²	3	40.2 Å²	40.2	2%	0.018	22%	0.222	C	C	.	.	H	α-helix	trans	-62	-39.5	177.6	-167.8	0	0	0	0	110.1	L1183 T1190 W1191 C1198 M1227 I1245 L1253	L1183-V1194 HydrophobicContact CD2-CG2 3.84Å; T1190-V1194 WeakPolarHBondContact O-CG2 3.16Å; T1190-V1194 PolarHBondContact O-N 3.08Å; W1191-V1194 PolarHBondContact O-N 2.91Å; V1194-C1198 VanDerWaalsContact O-CB 3.3Å; V1194-C1198 WeakPolarHBondContact O-CB 3.2Å; V1194-C1198 PolarHBondContact O-N 3.13Å; V1194-C1198 PolarHBondContact O-SG 2.85Å; V1194-M1227 HydrophobicContact CB-CE 3.89Å; V1194-M1227 HydrophobicContact CB-SD 4.35Å; V1194-M1227 HydrophobicContact CG1-CE 3.16Å; V1194-M1227 HydrophobicContact CG1-SD 3.69Å; V1194-I1245 HydrophobicContact CG1-CD1 3.82Å; V1194-L1253 HydrophobicContact CG2-CD1 4.09Å
1195	I	65	Low	65.4	Low	30 Å²	30	44.8 Å²	44.8	15%	0.154	24%	0.241	C	C	.	.	H	α-helix	trans	-62.6	-49.9	172.9	-70.1	179.1	0	0	0	111.3	A358 W1191 L1193 F1197 C1198 A1199	A358-I1195 HydrophobicContact CB-CD1 4.34Å; W1191-I1195 VanDerWaalsContact CD1-CD1 3.44Å; W1191-I1195 HydrophobicContact CG-CD1 4.47Å; W1191-I1195 VanDerWaalsContact NE1-CD1 3.27Å; W1191-I1195 WeakPolarHBondContact O-CG1 3.42Å; W1191-I1195 PolarHBondContact O-N 3.24Å; L1193-I1195 PolarHBondContact O-N 3.23Å; I1195-F1197 VanDerWaalsContact C-N 3.35Å; I1195-F1197 PolarHBondContact O-N 2.66Å; I1195-C1198 PolarHBondContact O-N 3.41Å; I1195-A1199 VanDerWaalsContact O-CB 3.29Å; I1195-A1199 WeakPolarHBondContact O-CB 3.2Å; I1195-A1199 PolarHBondContact O-N 3.45Å
1196	F	65.3	Low	63.9	Low	120 Å²	120	48.7 Å²	48.7	53%	0.526	26%	0.257	S	S	.	.	H	α-helix	trans	-56.1	-50.4	-179.1	178.9	-99.1	0	0	0	110.6	N1192 L1193 A1199 T1200	N1192-F1196 WeakPolarHBondContact O-CB 3.25Å; N1192-F1196 PolarHBondContact O-N 3.43Å; L1193-F1196 PolarHBondContact O-N 2.96Å; F1196-A1199 CarbonylContact O-C 3.49Å; F1196-A1199 PolarHBondContact O-N 3.06Å; F1196-A1199 VanDerWaalsContact O-N 3.16Å; F1196-T1200 HydrophobicContact CD1-CG2 4.06Å; F1196-T1200 HydrophobicContact CD2-CG2 4.1Å; F1196-T1200 HydrophobicContact CE1-CG2 3.68Å; F1196-T1200 HydrophobicContact CE2-CG2 3.73Å; F1196-T1200 HydrophobicContact CG-CG2 4.26Å; F1196-T1200 HydrophobicContact CZ-CG2 3.51Å; F1196-T1200 WeakPolarHBondContact O-CG2 3.49Å; F1196-T1200 PolarHBondContact O-N 3.31Å; F1196-T1200 PolarHBondContact O-OG1 3.23Å
1197	F	66.2	Low	62.6	Low	33 Å²	33	54.7 Å²	54.7	15%	0.145	29%	0.286	C	S	.	.	H	α-helix	trans	-68.3	-39.1	-178.5	-70.6	-60.6	0	0	0	113.6	L1193 I1195 A1199 T1200 A1201 T1252 Y1256	L1193-F1197 HydrophobicContact CB-CD2 4.44Å; L1193-F1197 HydrophobicContact CB-CE2 4.36Å; L1193-F1197 HydrophobicContact CD2-CE2 4.23Å; L1193-F1197 WeakPolarHBondContact O-CD2 3.46Å; L1193-F1197 PolarHBondContact O-N 3.47Å; I1195-F1197 VanDerWaalsContact C-N 3.35Å; I1195-F1197 PolarHBondContact O-N 2.66Å; F1197-A1199 PolarHBondContact O-N 3.46Å; F1197-T1200 WeakPolarHBondContact CA-OG1 3.14Å; F1197-T1200 PolarHBondContact O-N 3.32Å; F1197-T1200 PolarHBondContact O-OG1 2.91Å; F1197-A1201 WeakPolarHBondContact O-CB 3.29Å; F1197-A1201 PolarHBondContact O-N 2.87Å; F1197-T1252 HydrophobicContact CD1-CG2 3.35Å; F1197-T1252 HydrophobicContact CE1-CG2 3.58Å; F1197-T1252 HydrophobicContact CG-CG2 4.08Å; F1197-T1252 HydrophobicContact CZ-CG2 4.46Å; F1197-Y1256 AromaticContact CE2-CD2 3.98Å; F1197-Y1256 HydrophobicContact CE2-CD2 3.98Å; F1197-Y1256 AromaticContact CE2-CG 3.87Å; F1197-Y1256 HydrophobicContact CE2-CG 3.87Å; F1197-Y1256 AromaticContact CZ-CD2 4Å; F1197-Y1256 HydrophobicContact CZ-CD2 4Å; F1197-Y1256 HydrophobicContact CZ-CG 4.26Å
1198	C	62	Low	61.2	Low	7 Å²	7	58.9 Å²	58.9	5%	0.047	31%	0.309	C	S	.	.	H	α-helix	trans	-63.1	-33.4	172.9	-71.1	0	0	0	0	112	V1194 I1195 L1202	V1194-C1198 VanDerWaalsContact O-CB 3.3Å; V1194-C1198 WeakPolarHBondContact O-CB 3.2Å; V1194-C1198 PolarHBondContact O-N 3.13Å; V1194-C1198 PolarHBondContact O-SG 2.85Å; I1195-C1198 PolarHBondContact O-N 3.41Å; C1198-L1202 PolarHBondContact O-N 2.91Å
1199	A	61	Low	59.8	Low	51 Å²	51	61.3 Å²	61.3	42%	0.421	33%	0.329	S	S	.	.	H	α-helix	trans	-80.9	-36.9	177.1	0	0	0	0	0	113.4	I1195 F1196 F1197 L1202 L1203	I1195-A1199 VanDerWaalsContact O-CB 3.29Å; I1195-A1199 WeakPolarHBondContact O-CB 3.2Å; I1195-A1199 PolarHBondContact O-N 3.45Å; F1196-A1199 CarbonylContact O-C 3.49Å; F1196-A1199 PolarHBondContact O-N 3.06Å; F1196-A1199 VanDerWaalsContact O-N 3.16Å; F1197-A1199 PolarHBondContact O-N 3.46Å; A1199-L1202 VanDerWaalsContact O-CB 3.27Å; A1199-L1202 WeakPolarHBondContact O-CB 3.34Å; A1199-L1202 PolarHBondContact O-N 2.85Å; A1199-L1203 PolarHBondContact O-N 2.96Å
1200	T	58.4	Low	58.4	Low	48 Å²	48	67.7 Å²	67.7	29%	0.294	35%	0.35	S	S	.	.	H	α-helix	trans	-74.3	-35.1	176.6	55.5	0	0	0	0	111.7	F1196 F1197 L1202 L1203 F1204	F1196-T1200 HydrophobicContact CD1-CG2 4.06Å; F1196-T1200 HydrophobicContact CD2-CG2 4.1Å; F1196-T1200 HydrophobicContact CE1-CG2 3.68Å; F1196-T1200 HydrophobicContact CE2-CG2 3.73Å; F1196-T1200 HydrophobicContact CG-CG2 4.26Å; F1196-T1200 HydrophobicContact CZ-CG2 3.51Å; F1196-T1200 WeakPolarHBondContact O-CG2 3.49Å; F1196-T1200 PolarHBondContact O-N 3.31Å; F1196-T1200 PolarHBondContact O-OG1 3.23Å; F1197-T1200 WeakPolarHBondContact CA-OG1 3.14Å; F1197-T1200 PolarHBondContact O-N 3.32Å; F1197-T1200 PolarHBondContact O-OG1 2.91Å; T1200-L1202 PolarHBondContact O-N 3.06Å; T1200-L1203 PolarHBondContact O-N 3.46Å; T1200-L1203 VanDerWaalsContact O-N 3.11Å; T1200-F1204 WeakPolarHBondContact O-CB 3.21Å; T1200-F1204 PolarHBondContact O-N 2.99Å
1201	A	56.2	Low	57.1	Low	19 Å²	19	75 Å²	75	16%	0.157	38%	0.383	C	S	.	.	H	α-helix	trans	-57.5	-40.4	171.1	0	0	0	0	0	110	F1197 F1205 C1249	F1197-A1201 WeakPolarHBondContact O-CB 3.29Å; F1197-A1201 PolarHBondContact O-N 2.87Å; A1201-F1205 VanDerWaalsContact O-CB 3.3Å; A1201-F1205 WeakPolarHBondContact O-CB 3.37Å; A1201-F1205 PolarHBondContact O-N 3.23Å; A1201-C1249 WeakPolarHBondContact CB-SG 3.48Å
1202	L	54.7	Low	55.4	Low	66 Å²	66	81 Å²	81	35%	0.346	42%	0.415	S	S	.	.	H	α-helix	trans	-60.8	-48	171.8	-173.6	94.6	0	0	0	111.9	C1198 A1199 T1200 F1205 L1206 N1225	C1198-L1202 PolarHBondContact O-N 2.91Å; A1199-L1202 VanDerWaalsContact O-CB 3.27Å; A1199-L1202 WeakPolarHBondContact O-CB 3.34Å; A1199-L1202 PolarHBondContact O-N 2.85Å; T1200-L1202 PolarHBondContact O-N 3.06Å; L1202-F1205 PolarHBondContact O-N 2.82Å; L1202-L1206 HydrophobicContact CD2-CD1 4.08Å; L1202-L1206 HydrophobicContact CG-CD1 3.96Å; L1202-L1206 HydrophobicContact CG-CG 4.47Å; L1202-L1206 WeakPolarHBondContact O-CB 3.45Å; L1202-L1206 VanDerWaalsContact O-CG 3.27Å; L1202-L1206 WeakPolarHBondContact O-CG 3.42Å; L1202-L1206 PolarHBondContact O-N 2.84Å; L1202-N1225 HydrophobicContact CD1-CB 4.48Å; L1202-N1225 WeakPolarHBondContact CD1-ND2 3.25Å
1203	L	52.7	Low	53.8	Low	108 Å²	108	86.9 Å²	86.9	57%	0.565	44%	0.44	S	S	*	.	H	α-helix	trans	-64.7	-43.7	-178.4	-157	80.2	0	0	0	111.8	A1199 T1200 F1205 L1206 M1207	A1199-L1203 PolarHBondContact O-N 2.96Å; T1200-L1203 PolarHBondContact O-N 3.46Å; T1200-L1203 VanDerWaalsContact O-N 3.11Å; L1203-F1205 VanDerWaalsContact C-N 3.32Å; L1203-F1205 PolarHBondContact O-N 2.72Å; L1203-L1206 PolarHBondContact O-N 3.37Å; L1203-M1207 WeakPolarHBondContact O-CB 3.34Å; L1203-M1207 VanDerWaalsContact O-CG 3.3Å; L1203-M1207 WeakPolarHBondContact O-CG 3.29Å; L1203-M1207 PolarHBondContact O-N 2.92Å
1204	F	52	Low	52.4	Low	142 Å²	142	92 Å²	92	62%	0.623	47%	0.468	S	S	*	.	H	α-helix	trans	-65.6	-37.5	177	-148	-92.9	0	0	0	111.2	T1200 N1208	T1200-F1204 WeakPolarHBondContact O-CB 3.21Å; T1200-F1204 PolarHBondContact O-N 2.99Å; F1204-N1208 WeakPolarHBondContact CD1-ND2 3.49Å; F1204-N1208 PolarHBondContact O-N 2.91Å; F1204-N1208 PolarHBondContact O-ND2 3.05Å
1205	F	49.4	Very low	50.9	Low	106 Å²	106	98.3 Å²	98.3	47%	0.465	51%	0.507	S	S	.	.	H	α-helix	trans	-65	-43.7	172.9	-126.5	-89.6	0	0	0	112.2	A1201 L1202 L1203 N1208 A1209	A1201-F1205 VanDerWaalsContact O-CB 3.3Å; A1201-F1205 WeakPolarHBondContact O-CB 3.37Å; A1201-F1205 PolarHBondContact O-N 3.23Å; L1202-F1205 PolarHBondContact O-N 2.82Å; L1203-F1205 VanDerWaalsContact C-N 3.32Å; L1203-F1205 PolarHBondContact O-N 2.72Å; F1205-N1208 PolarHBondContact O-N 3.19Å; F1205-A1209 WeakPolarHBondContact O-CB 3.49Å; F1205-A1209 PolarHBondContact O-N 2.89Å
1206	L	50.1	Low	49.3	Very low	100 Å²	100	103.6 Å²	103.6	52%	0.524	54%	0.54	S	S	.	.	H	α-helix	trans	-65.9	-38.6	177.9	-73.5	170.5	0	0	0	111.7	L1202 L1203 A1209 F1210	L1202-L1206 HydrophobicContact CD2-CD1 4.08Å; L1202-L1206 HydrophobicContact CG-CD1 3.96Å; L1202-L1206 HydrophobicContact CG-CG 4.47Å; L1202-L1206 WeakPolarHBondContact O-CB 3.45Å; L1202-L1206 VanDerWaalsContact O-CG 3.27Å; L1202-L1206 WeakPolarHBondContact O-CG 3.42Å; L1202-L1206 PolarHBondContact O-N 2.84Å; L1203-L1206 PolarHBondContact O-N 3.37Å; L1206-A1209 PolarHBondContact O-N 3.38Å; L1206-F1210 PolarHBondContact O-N 3.13Å; L1206-F1210 VanDerWaalsContact O-N 3.08Å
1207	M	52.4	Low	47.8	Very low	127 Å²	127	101 Å²	101	63%	0.626	54%	0.54	S	S	*	.	H	α-helix	trans	-64.1	-40.5	174.9	-74.9	178.4	71.4	0	0	112.1	L1203 F1210	L1203-M1207 WeakPolarHBondContact O-CB 3.34Å; L1203-M1207 VanDerWaalsContact O-CG 3.3Å; L1203-M1207 WeakPolarHBondContact O-CG 3.29Å; L1203-M1207 PolarHBondContact O-N 2.92Å; M1207-F1210 PolarHBondContact O-N 2.63Å
1208	N	50	Low	46.4	Very low	90 Å²	90	104.6 Å²	104.6	48%	0.481	57%	0.565	S	S	.	*	H	α-helix	trans	-72.3	-31.3	175.3	-70.8	-39.2	0	0	0	112.4	F1204 F1205 F1210 Q1211	F1204-N1208 WeakPolarHBondContact CD1-ND2 3.49Å; F1204-N1208 PolarHBondContact O-N 2.91Å; F1204-N1208 PolarHBondContact O-ND2 3.05Å; F1205-N1208 PolarHBondContact O-N 3.19Å; N1208-F1210 VanDerWaalsContact C-N 3.3Å; N1208-F1210 PolarHBondContact O-N 3.17Å; N1208-Q1211 PolarHBondContact O-N 3.23Å
1209	A	47.4	Very low	45.2	Very low	54 Å²	54	107.1 Å²	107.1	45%	0.446	59%	0.587	S	S	.	*	H	α-helix	trans	-70	-25.7	175.8	0	0	0	0	0	112.9	F1205 L1206 Q1211 L1212	F1205-A1209 WeakPolarHBondContact O-CB 3.49Å; F1205-A1209 PolarHBondContact O-N 2.89Å; L1206-A1209 PolarHBondContact O-N 3.38Å; A1209-Q1211 PolarHBondContact O-N 3.16Å; A1209-Q1211 VanDerWaalsContact O-N 3.08Å; A1209-L1212 PolarHBondContact O-N 3.45Å
1210	F	39.7	Very low	44	Very low	189 Å²	189	108.5 Å²	108.5	83%	0.829	59%	0.593	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.7	-12.1	177.2	-157.6	-98.3	0	0	0	113.5	L1206 M1207 N1208 L1212	L1206-F1210 PolarHBondContact O-N 3.13Å; L1206-F1210 VanDerWaalsContact O-N 3.08Å; M1207-F1210 PolarHBondContact O-N 2.63Å; N1208-F1210 VanDerWaalsContact C-N 3.3Å; N1208-F1210 PolarHBondContact O-N 3.17Å; F1210-L1212 VanDerWaalsContact C-N 3.33Å
1211	Q	42.5	Very low	43.1	Very low	167 Å²	167	108.9 Å²	108.9	78%	0.78	60%	0.595	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.4	0.9	171.9	-78.8	-173.8	-40	0	0	114.8	N1208 A1209	N1208-Q1211 PolarHBondContact O-N 3.23Å; A1209-Q1211 PolarHBondContact O-N 3.16Å; A1209-Q1211 VanDerWaalsContact O-N 3.08Å
1212	L	37.6	Very low	42.2	Very low	133 Å²	133	116.4 Å²	116.4	70%	0.696	62%	0.62	S	S	*	*			trans	-129.5	112.9	171.6	-78.2	100.3	0	0	0	110.8	A1209 F1210 D1214	A1209-L1212 PolarHBondContact O-N 3.45Å; F1210-L1212 VanDerWaalsContact C-N 3.33Å; L1212-D1214 PolarHBondContact O-N 3.38Å
1213	E	35.2	Very low	41.5	Very low	186 Å²	186	118.7 Å²	118.7	87%	0.869	63%	0.628	S	S	*	*			trans	-70.2	13.8	-176.1	-85.1	-176.3	153.1	0	0	116.2	V1215	E1213-V1215 PolarHBondContact O-N 3.09Å
1214	D	36.7	Very low	41	Very low	154 Å²	154	119.6 Å²	119.6	82%	0.824	63%	0.63	S	S	*	*			trans	-93.8	92	179.8	-73.6	-30.1	0	0	0	112.4	L1212 V1216	L1212-D1214 PolarHBondContact O-N 3.38Å; D1214-V1216 PolarHBondContact O-N 3.07Å; D1214-V1216 VanDerWaalsContact O-N 3.15Å
1215	V	33.7	Very low	40.7	Very low	135 Å²	135	114.3 Å²	114.3	82%	0.818	61%	0.608	S	S	*	*			trans	-77.4	83.6	-175.2	-177.6	0	0	0	0	112.2	E1213	E1213-V1215 PolarHBondContact O-N 3.09Å
1216	V	32.4	Very low	40.9	Very low	141 Å²	141	115.3 Å²	115.3	86%	0.855	61%	0.609	S	S	*	*			trans	-150.3	61.9	154.3	-163.8	0	0	0	0	111.6	D1214	D1214-V1216 PolarHBondContact O-N 3.07Å; D1214-V1216 VanDerWaalsContact O-N 3.15Å
1217	A	33.2	Very low	41.4	Very low	65 Å²	65	111.5 Å²	111.5	54%	0.537	59%	0.589	S	S	.	*			trans	-133.5	52.5	178	0	0	0	0	0	113.3	T1221	A1217-T1221 PolarHBondContact O-OG1 2.88Å
1218	T	38.2	Very low	42.3	Very low	109 Å²	109	107.7 Å²	107.7	67%	0.669	57%	0.569	S	S	*	*	S	Bend	trans	-102.4	-10.3	179.3	43.2	0	0	0	0	115.2
1219	A	34.8	Very low	43.4	Very low	60 Å²	60	103.6 Å²	103.6	50%	0.496	55%	0.548	S	S	.	.	S	Bend	trans	-101.6	-53.7	-176.1	0	0	0	0	0	114.3	R1222	A1219-R1222 PolarHBondContact O-N 2.87Å
1220	S	36.9	Very low	44.9	Very low	79 Å²	79	101.1 Å²	101.1	55%	0.552	53%	0.527	S	S	*	.	H	α-helix	trans	-71.2	-36.2	-173.8	46.1	0	0	0	0	113.4	R1222 Q1223	S1220-R1222 VanDerWaalsContact C-N 3.26Å; S1220-R1222 PolarHBondContact O-N 3.32Å; S1220-Q1223 PolarHBondContact O-N 2.98Å
1221	T	38.4	Very low	46.6	Very low	56 Å²	56	93.5 Å²	93.5	34%	0.344	49%	0.493	S	S	.	.	H	α-helix	trans	-68.4	-23.5	-179.7	-23	0	0	0	0	113	A1217 N1225	A1217-T1221 PolarHBondContact O-OG1 2.88Å; T1221-N1225 PolarHBondContact O-ND2 3.37Å
1222	R	38.9	Very low	48.5	Very low	178 Å²	178	85.9 Å²	85.9	67%	0.672	46%	0.457	S	S	*	.	H	α-helix	trans	-79.9	-29.8	176.4	-78.9	-177.6	174	170.4	-0.3	112.7	A1219 S1220	A1219-R1222 PolarHBondContact O-N 2.87Å; S1220-R1222 VanDerWaalsContact C-N 3.26Å; S1220-R1222 PolarHBondContact O-N 3.32Å
1223	Q	40.1	Very low	50.5	Low	113 Å²	113	83.2 Å²	83.2	53%	0.528	44%	0.438	S	S	.	.	H	α-helix	trans	-64.4	-42.1	178.5	-80.1	-177.7	-23.3	0	0	112.3	S1220 N1225	S1220-Q1223 PolarHBondContact O-N 2.98Å; Q1223-N1225 VanDerWaalsContact C-N 3.31Å; Q1223-N1225 PolarHBondContact O-N 3.19Å
1224	Q	41.3	Very low	52.7	Low	128 Å²	128	74.9 Å²	74.9	60%	0.598	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.3	-10.7	-173.3	-71.5	-171.4	-14.4	0	0	115.1	P1246	Q1224-P1246 WeakPolarHBondContact O-CB 3.15Å; Q1224-P1246 WeakPolarHBondContact O-CG 3.45Å
1225	N	45.2	Very low	54.6	Low	31 Å²	31	72.1 Å²	72.1	17%	0.166	39%	0.385	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.1	4.8	-169.5	-73.4	-41.8	0	0	0	115.2	L1202 T1221 Q1223	L1202-N1225 HydrophobicContact CD1-CB 4.48Å; L1202-N1225 WeakPolarHBondContact CD1-ND2 3.25Å; T1221-N1225 PolarHBondContact O-ND2 3.37Å; Q1223-N1225 VanDerWaalsContact C-N 3.31Å; Q1223-N1225 PolarHBondContact O-N 3.19Å
1226	R	54.6	Low	56.5	Low	126 Å²	126	71.5 Å²	71.5	48%	0.475	37%	0.373	S	S	.	.	S	Bend	trans	-88.9	114.3	171.1	-78.2	-170	175.5	158.7	8.1	109.5	Q1228	R1226-Q1228 PolarHBondContact O-N 3.25Å
1227	M	60.9	Low	58.4	Low	20 Å²	20	69.9 Å²	69.9	10%	0.099	36%	0.36	C	S	.	.			trans	-55.9	108.6	163.1	-67.9	176	76.9	0	0	107.8	V1194 L1243 I1245	V1194-M1227 HydrophobicContact CB-CE 3.89Å; V1194-M1227 HydrophobicContact CB-SD 4.35Å; V1194-M1227 HydrophobicContact CG1-CE 3.16Å; V1194-M1227 HydrophobicContact CG1-SD 3.69Å; M1227-L1243 HydrophobicContact CB-CD2 4.26Å; M1227-L1243 HydrophobicContact CE-CB 4.18Å; M1227-L1243 HydrophobicContact CE-CD1 3.87Å; M1227-L1243 HydrophobicContact CE-CD2 4.46Å; M1227-L1243 HydrophobicContact CE-CG 4.39Å; M1227-I1245 HydrophobicContact CE-CD1 4.12Å
1228	Q	71	Confident	60.3	Low	47 Å²	47	70.5 Å²	70.5	22%	0.22	35%	0.352	C	S	.	.			trans	-106.4	137.2	179.7	-167	176.7	16.9	0	0	108.4	G1001 L1003 R1226 I1244	G1001-Q1228 VanDerWaalsContact O-CG 3.3Å; G1001-Q1228 WeakPolarHBondContact O-CG 3.45Å; G1001-Q1228 PolarHBondContact O-NE2 3.37Å; L1003-Q1228 HydrophobicContact CB-CG 4.37Å; R1226-Q1228 PolarHBondContact O-N 3.25Å; Q1228-I1244 PolarHBondContact O-N 3.19Å
1229	V	73.5	Confident	62.2	Low	5 Å²	5	68.9 Å²	68.9	3%	0.03	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	131.2	170.7	179.7	0	0	0	0	107.9	G365 I369 I1002 L1003 V1241 G1242 L1243	G365-V1229 VanDerWaalsContact O-CG2 3.25Å; G365-V1229 WeakPolarHBondContact O-CG2 3.26Å; I369-V1229 HydrophobicContact CD1-CG1 4.22Å; I369-V1229 HydrophobicContact CD1-CG2 4.02Å; I369-V1229 HydrophobicContact CG1-CG2 3.75Å; I1002-V1229 HydrophobicContact CG1-CB 4.5Å; I1002-V1229 HydrophobicContact CG2-CB 4.48Å; I1002-V1229 HydrophobicContact CG2-CG1 4.22Å; L1003-V1229 PolarHBondContact N-O 3.09Å; V1229-V1241 HydrophobicContact CG1-CG1 3.83Å; V1229-G1242 CarbonylContact C-O 3.59Å; V1229-G1242 WeakPolarHBondContact CA-O 3.47Å; V1229-L1243 HydrophobicContact CG2-CD2 3.83Å
1230	V	77.4	Confident	64.3	Low	1 Å²	1	67.1 Å²	67.1	1%	0.006	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	133.6	176.3	63.7	0	0	0	0	109.7	L1003 L1005 I1182 V1241 G1242 I1244	L1003-V1230 HydrophobicContact CB-CB 4.35Å; L1003-V1230 HydrophobicContact CB-CG2 4.19Å; L1003-V1230 HydrophobicContact CD2-CG2 4.16Å; L1003-V1230 HydrophobicContact CG-CG2 4.28Å; L1003-V1230 CarbonylContact O-C 3.56Å; L1003-V1230 WeakPolarHBondContact O-CA 3.3Å; L1003-V1230 WeakPolarHBondContact O-CG2 3.35Å; L1005-V1230 HydrophobicContact CD1-CG2 3.51Å; L1005-V1230 HydrophobicContact CG-CG2 3.71Å; I1182-V1230 HydrophobicContact CB-CG1 4.35Å; I1182-V1230 HydrophobicContact CD1-CG1 3.69Å; I1182-V1230 HydrophobicContact CG1-CG1 3.84Å; I1182-V1230 HydrophobicContact CG2-CG1 3.64Å; V1230-V1241 VanDerWaalsContact O-CA 3.27Å; V1230-V1241 WeakPolarHBondContact O-CA 3.49Å; V1230-G1242 PolarHBondContact N-O 2.95Å; V1230-G1242 PolarHBondContact O-N 3.3Å; V1230-I1244 HydrophobicContact CB-CD1 3.9Å; V1230-I1244 HydrophobicContact CB-CG1 3.72Å; V1230-I1244 HydrophobicContact CG1-CD1 4.32Å; V1230-I1244 HydrophobicContact CG1-CG1 3.62Å; V1230-I1244 HydrophobicContact CG2-CD1 4.27Å; V1230-I1244 HydrophobicContact CG2-CG1 4.45Å
1231	R	76.7	Confident	66.2	Low	30 Å²	30	63.7 Å²	63.7	11%	0.113	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	132.2	167	-51.6	-179.2	-63.9	-161.6	-6.3	107	S111 S112 I1002 L1003 D1004 L1005 L1240 V1241	S111-R1231 PolarHBondContact OG-NH1 2.77Å; S112-R1231 VanDerWaalsContact OG-CD 3.32Å; S112-R1231 WeakPolarHBondContact OG-CD 3.43Å; I1002-R1231 HydrophobicContact CG2-CG 3.63Å; L1003-R1231 PolarHBondContact O-N 2.69Å; D1004-R1231 CarbonylContact C-O 3.48Å; D1004-R1231 VanDerWaalsContact CA-O 3.32Å; D1004-R1231 WeakPolarHBondContact CA-O 3.42Å; D1004-R1231 VanDerWaalsContact CG-NH2 3.33Å; D1004-R1231 WeakPolarHBondContact OD1-CB 3.32Å; D1004-R1231 IonicContact OD1-CZ 3.74Å; D1004-R1231 VanDerWaalsContact OD1-CZ 3.27Å; D1004-R1231 IonicContact OD1-NE 2.82Å; D1004-R1231 PolarHBondContact OD1-NE 3.13Å; D1004-R1231 IonicContact OD1-NH2 3.37Å; D1004-R1231 PolarHBondContact OD1-NH2 3.11Å; D1004-R1231 IonicContact OD2-CZ 2.98Å; D1004-R1231 IonicContact OD2-NE 3.9Å; D1004-R1231 IonicContact OD2-NH2 2.89Å; D1004-R1231 PolarHBondContact OD2-NH2 3.14Å; L1005-R1231 PolarHBondContact N-O 3.4Å; R1231-L1240 CarbonylContact C-O 3.49Å; R1231-L1240 WeakPolarHBondContact CA-O 3.46Å; R1231-V1241 HydrophobicContact CB-CG2 3.91Å; R1231-V1241 HydrophobicContact CG-CB 4.42Å; R1231-V1241 HydrophobicContact CG-CG1 3.99Å; R1231-V1241 HydrophobicContact CG-CG2 3.65Å
1232	L	81.7	Confident	68.4	Low	7 Å²	7	61 Å²	61	4%	0.037	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	151.7	178.7	68.7	86.2	0	0	0	113.1	L1005 V1012 V1036 I1182 T1234 K1239 L1240	L1005-L1232 HydrophobicContact CB-CB 3.75Å; L1005-L1232 HydrophobicContact CD1-CD2 4.44Å; L1005-L1232 WeakPolarHBondContact O-CA 3.5Å; V1012-L1232 HydrophobicContact CG1-CD1 4.25Å; V1036-L1232 HydrophobicContact CB-CD2 4.4Å; V1036-L1232 HydrophobicContact CG1-CD2 4.13Å; V1036-L1232 HydrophobicContact CG2-CD2 4.02Å; I1182-L1232 HydrophobicContact CD1-CD2 3.13Å; L1232-T1234 HydrophobicContact CD1-CG2 3.87Å; L1232-K1239 CarbonylContact O-C 3.54Å; L1232-K1239 WeakPolarHBondContact O-CA 3.27Å; L1232-L1240 HydrophobicContact CD1-CB 3.81Å; L1232-L1240 HydrophobicContact CD1-CD2 4.34Å; L1232-L1240 HydrophobicContact CD2-CD2 4.19Å; L1232-L1240 HydrophobicContact CG-CB 3.95Å; L1232-L1240 HydrophobicContact CG-CD2 4.35Å; L1232-L1240 PolarHBondContact N-O 3.15Å; L1232-L1240 PolarHBondContact O-N 3.16Å
1233	R	78.6	Confident	70.5	Confident	77 Å²	77	52.8 Å²	52.8	29%	0.291	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	120.2	171.1	-171.2	178.4	-71	-155.6	16.3	108.7	D87 L1005 N1237 Q1238 K1239	D87-R1233 IonicContact OD2-CZ 3.07Å; D87-R1233 IonicContact OD2-NH1 2.63Å; D87-R1233 IonicContact OD2-NH2 2.92Å; D87-R1233 PolarHBondContact OD2-NH2 3.2Å; L1005-R1233 PolarHBondContact O-N 2.88Å; L1005-R1233 VanDerWaalsContact O-N 3.11Å; R1233-N1237 VanDerWaalsContact CD-OD1 3.26Å; R1233-N1237 WeakPolarHBondContact CD-OD1 3.5Å; R1233-N1237 PolarHBondContact NH1-OD1 3.08Å; R1233-Q1238 WeakPolarHBondContact CA-O 3.25Å; R1233-K1239 VanDerWaalsContact NH2-CE 3.31Å
1234	T	81.7	Confident	72.5	Confident	10 Å²	10	48.6 Å²	48.6	6%	0.061	23%	0.227	C	C	.	.			trans	-74.3	163.7	174.8	58	0	0	0	0	111.1	V1012 K1014 L1232 Q1236 N1237 Q1238	V1012-T1234 WeakPolarHBondContact O-CA 3.44Å; K1014-T1234 HydrophobicContact CB-CG2 4.26Å; L1232-T1234 HydrophobicContact CD1-CG2 3.87Å; T1234-Q1236 PolarHBondContact O-N 2.8Å; T1234-N1237 WeakPolarHBondContact O-CA 3.03Å; T1234-N1237 PolarHBondContact O-N 3.37Å; T1234-Q1238 HydrophobicContact CG2-CB 4.49Å; T1234-Q1238 PolarHBondContact N-O 3.05Å; T1234-Q1238 WeakPolarHBondContact OG1-CA 3.36Å; T1234-Q1238 VanDerWaalsContact OG1-CB 3.24Å; T1234-Q1238 WeakPolarHBondContact OG1-CB 3.3Å; T1234-Q1238 PolarHBondContact OG1-N 3.17Å; T1234-Q1238 PolarHBondContact OG1-O 3Å
1235	D	76.8	Confident	74.4	Confident	97 Å²	97	42.6 Å²	42.6	52%	0.519	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.1	-30	169.2	58.7	-7.5	0	0	0	113.4	V1012 K1013 N1237	V1012-D1235 PolarHBondContact O-N 2.97Å; K1013-D1235 WeakPolarHBondContact CE-OD2 3.5Å; K1013-D1235 WeakPolarHBondContact CG-OD2 3.21Å; D1235-N1237 PolarHBondContact O-N 3.26Å
1236	Q	74.1	Confident	75.8	Confident	121 Å²	121	41.7 Å²	41.7	57%	0.565	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.7	10.5	171.1	-61.6	179.5	13.3	0	0	113.7	T1234 Q1238	T1234-Q1236 PolarHBondContact O-N 2.8Å; Q1236-Q1238 HydrophobicContact CB-CG 4.25Å; Q1236-Q1238 PolarHBondContact O-N 3.02Å; Q1236-Q1238 VanDerWaalsContact O-N 3.15Å
1237	N	71.7	Confident	76.7	Confident	108 Å²	108	39.2 Å²	39.2	58%	0.578	19%	0.191	S	C	*	.			trans	59.5	20.6	-178.1	-154.2	30.4	0	0	0	114	R1233 T1234 D1235	R1233-N1237 VanDerWaalsContact CD-OD1 3.26Å; R1233-N1237 WeakPolarHBondContact CD-OD1 3.5Å; R1233-N1237 PolarHBondContact NH1-OD1 3.08Å; T1234-N1237 WeakPolarHBondContact O-CA 3.03Å; T1234-N1237 PolarHBondContact O-N 3.37Å; D1235-N1237 PolarHBondContact O-N 3.26Å
1238	Q	74.7	Confident	77.1	Confident	78 Å²	78	41.2 Å²	41.2	36%	0.364	21%	0.207	S	C	.	.			trans	-77.9	125.1	171.8	-54.8	179.8	-2.3	0	0	109.3	R1233 T1234 Q1236	R1233-Q1238 WeakPolarHBondContact CA-O 3.25Å; T1234-Q1238 HydrophobicContact CG2-CB 4.49Å; T1234-Q1238 PolarHBondContact N-O 3.05Å; T1234-Q1238 WeakPolarHBondContact OG1-CA 3.36Å; T1234-Q1238 VanDerWaalsContact OG1-CB 3.24Å; T1234-Q1238 WeakPolarHBondContact OG1-CB 3.3Å; T1234-Q1238 PolarHBondContact OG1-N 3.17Å; T1234-Q1238 PolarHBondContact OG1-O 3Å; Q1236-Q1238 HydrophobicContact CB-CG 4.25Å; Q1236-Q1238 PolarHBondContact O-N 3.02Å; Q1236-Q1238 VanDerWaalsContact O-N 3.15Å
1239	K	76	Confident	77.1	Confident	74 Å²	74	39 Å²	39	32%	0.322	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	132.1	173.1	-59.8	-176.3	-174.7	-172.4	0	109.5	S90 L1232 R1233	S90-K1239 PolarHBondContact OG-NZ 3.04Å; L1232-K1239 CarbonylContact O-C 3.54Å; L1232-K1239 WeakPolarHBondContact O-CA 3.27Å; R1233-K1239 VanDerWaalsContact NH2-CE 3.31Å
1240	L	79.1	Confident	77.3	Confident	23 Å²	23	39.2 Å²	39.2	12%	0.12	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	137.6	175.7	179	76	0	0	0	109.1	H1034 I1182 R1231 L1232	H1034-L1240 HydrophobicContact CB-CD2 3.99Å; H1034-L1240 VanDerWaalsContact CD2-CD2 3.41Å; H1034-L1240 WeakPolarHBondContact CD2-CD2 3.5Å; H1034-L1240 WeakPolarHBondContact NE2-CD1 3.25Å; I1182-L1240 HydrophobicContact CG2-CD2 4.17Å; R1231-L1240 CarbonylContact C-O 3.49Å; R1231-L1240 WeakPolarHBondContact CA-O 3.46Å; L1232-L1240 HydrophobicContact CD1-CB 3.81Å; L1232-L1240 HydrophobicContact CD1-CD2 4.34Å; L1232-L1240 HydrophobicContact CD2-CD2 4.19Å; L1232-L1240 HydrophobicContact CG-CB 3.95Å; L1232-L1240 HydrophobicContact CG-CD2 4.35Å; L1232-L1240 PolarHBondContact N-O 3.15Å; L1232-L1240 PolarHBondContact O-N 3.16Å
1241	V	78.6	Confident	77.5	Confident	7 Å²	7	47 Å²	47	4%	0.042	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	136.8	170.2	-177.3	0	0	0	0	109.4	S115 M372 S1184 V1229 V1230 R1231	S115-V1241 WeakPolarHBondContact OG-CB 3.4Å; M372-V1241 HydrophobicContact CE-CB 3.71Å; M372-V1241 HydrophobicContact CE-CG1 3.86Å; M372-V1241 HydrophobicContact SD-CB 4.01Å; M372-V1241 HydrophobicContact SD-CG1 3.57Å; M372-V1241 VanDerWaalsContact SD-CG1 3.57Å; S1184-V1241 WeakPolarHBondContact CB-O 3.48Å; V1229-V1241 HydrophobicContact CG1-CG1 3.83Å; V1230-V1241 VanDerWaalsContact O-CA 3.27Å; V1230-V1241 WeakPolarHBondContact O-CA 3.49Å; R1231-V1241 HydrophobicContact CB-CG2 3.91Å; R1231-V1241 HydrophobicContact CG-CB 4.42Å; R1231-V1241 HydrophobicContact CG-CG1 3.99Å; R1231-V1241 HydrophobicContact CG-CG2 3.65Å
1242	G	83.2	Confident	77.5	Confident	1 Å²	1	48.8 Å²	48.8	1%	0.01	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-169.4	-170.6	-178.9	0	0	0	0	0	112.4	L1183 V1229 V1230	L1183-G1242 CarbonylContact O-C 3.54Å; L1183-G1242 WeakPolarHBondContact O-CA 3.31Å; V1229-G1242 CarbonylContact C-O 3.59Å; V1229-G1242 WeakPolarHBondContact CA-O 3.47Å; V1230-G1242 PolarHBondContact N-O 2.95Å; V1230-G1242 PolarHBondContact O-N 3.3Å
1243	L	83.5	Confident	77.4	Confident	4 Å²	4	48.6 Å²	48.6	2%	0.021	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	128.1	179.7	-74.2	157.5	0	0	0	110	I369 I1182 L1183 V1187 W1191 M1227 V1229 I1245	I369-L1243 HydrophobicContact CD1-CD1 4.24Å; I369-L1243 HydrophobicContact CD1-CD2 4.43Å; I369-L1243 HydrophobicContact CD1-CG 3.93Å; I369-L1243 HydrophobicContact CG1-CD1 3.94Å; I369-L1243 HydrophobicContact CG1-CD2 4.06Å; I369-L1243 HydrophobicContact CG1-CG 3.92Å; I369-L1243 HydrophobicContact CG2-CD1 4.16Å; I1182-L1243 CarbonylContact C-O 3.55Å; I1182-L1243 WeakPolarHBondContact CA-O 3.35Å; L1183-L1243 PolarHBondContact N-O 2.95Å; L1183-L1243 PolarHBondContact O-N 3.15Å; V1187-L1243 HydrophobicContact CB-CD1 4.18Å; V1187-L1243 HydrophobicContact CG1-CD1 3.54Å; V1187-L1243 HydrophobicContact CG2-CD1 4.37Å; W1191-L1243 HydrophobicContact CH2-CD1 4.33Å; W1191-L1243 HydrophobicContact CZ3-CD1 3.84Å; M1227-L1243 HydrophobicContact CB-CD2 4.26Å; M1227-L1243 HydrophobicContact CE-CB 4.18Å; M1227-L1243 HydrophobicContact CE-CD1 3.87Å; M1227-L1243 HydrophobicContact CE-CD2 4.46Å; M1227-L1243 HydrophobicContact CE-CG 4.39Å; V1229-L1243 HydrophobicContact CG2-CD2 3.83Å; L1243-I1245 PolarHBondContact O-N 3.37Å
1244	I	81.7	Confident	77.6	Confident	26 Å²	26	47 Å²	47	13%	0.133	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	123.8	171.3	-59.5	178.4	0	0	0	108.3	L1003 F1180 H1181 Q1228 V1230	L1003-I1244 HydrophobicContact CD2-CD1 3.48Å; L1003-I1244 VanDerWaalsContact CD2-CD1 3.48Å; F1180-I1244 HydrophobicContact CD1-CD1 4.19Å; F1180-I1244 HydrophobicContact CD1-CG2 4.47Å; H1181-I1244 WeakPolarHBondContact O-CA 3.43Å; Q1228-I1244 PolarHBondContact O-N 3.19Å; V1230-I1244 HydrophobicContact CB-CD1 3.9Å; V1230-I1244 HydrophobicContact CB-CG1 3.72Å; V1230-I1244 HydrophobicContact CG1-CD1 4.32Å; V1230-I1244 HydrophobicContact CG1-CG1 3.62Å; V1230-I1244 HydrophobicContact CG2-CD1 4.27Å; V1230-I1244 HydrophobicContact CG2-CG1 4.45Å
1245	I	81.5	Confident	77.6	Confident	1 Å²	1	48.8 Å²	48.8	1%	0.005	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	125	173.6	-54.5	-55.1	0	0	0	108	L1033 H1181 L1183 V1194 M1227 L1243 C1249 V1250 L1253	L1033-I1245 HydrophobicContact CD1-CG1 4.46Å; H1181-I1245 HydrophobicContact CB-CB 4.33Å; H1181-I1245 PolarHBondContact O-N 3.47Å; L1183-I1245 HydrophobicContact CB-CD1 3.9Å; L1183-I1245 HydrophobicContact CB-CG1 3.78Å; L1183-I1245 HydrophobicContact CD2-CD1 4.19Å; V1194-I1245 HydrophobicContact CG1-CD1 3.82Å; M1227-I1245 HydrophobicContact CE-CD1 4.12Å; L1243-I1245 PolarHBondContact O-N 3.37Å; I1245-C1249 HydrophobicContact CG2-CB 4.14Å; I1245-V1250 HydrophobicContact CB-CG2 4.38Å; I1245-V1250 HydrophobicContact CG2-CG2 3.89Å; I1245-L1253 HydrophobicContact CD1-CD2 4.15Å; I1245-L1253 HydrophobicContact CG1-CD2 3.97Å; I1245-L1253 HydrophobicContact CG2-CD2 3.97Å
1246	P	74.2	Confident	77.5	Confident	13 Å²	13	48 Å²	48	8%	0.084	25%	0.25	C	S	.	.	P	Polyproline II helix	trans	-60.3	139.1	175.7	-20.8	32.4	0	0	0	110.9	Q1224 S1248 C1249 V1250	Q1224-P1246 WeakPolarHBondContact O-CB 3.15Å; Q1224-P1246 WeakPolarHBondContact O-CG 3.45Å; P1246-S1248 PolarHBondContact O-N 3.39Å; P1246-S1248 VanDerWaalsContact O-N 3.08Å; P1246-C1249 PolarHBondContact O-N 2.88Å; P1246-V1250 WeakPolarHBondContact O-CG2 3.32Å
1247	N	73.1	Confident	77.8	Confident	74 Å²	74	42.3 Å²	42.3	40%	0.396	22%	0.224	S	C	.	.	H	α-helix	trans	-52.7	-35.8	-177	-67.8	-13.9	0	0	0	113	H1181 C1249 V1250	H1181-N1247 PolarHBondContact CD2-OD1 3.27Å; H1181-N1247 PolarHBondContact NE2-OD1 3.35Å; N1247-C1249 PolarHBondContact O-N 3.16Å; N1247-V1250 PolarHBondContact O-N 3.29Å
1248	S	69.4	Low	78.3	Confident	61 Å²	61	40.8 Å²	40.8	43%	0.427	21%	0.213	S	C	.	.	H	α-helix	trans	-61.3	-21.8	177.2	55.3	0	0	0	0	114.6	P1246	P1246-S1248 PolarHBondContact O-N 3.39Å; P1246-S1248 VanDerWaalsContact O-N 3.08Å
1249	C	71.6	Confident	78.4	Confident	2 Å²	2	46 Å²	46	1%	0.014	23%	0.234	C	C	.	.	H	α-helix	trans	-104.3	-12.8	-174.2	-56.1	0	0	0	0	113	A1201 I1245 P1246 N1247 L1253	A1201-C1249 WeakPolarHBondContact CB-SG 3.48Å; I1245-C1249 HydrophobicContact CG2-CB 4.14Å; P1246-C1249 PolarHBondContact O-N 2.88Å; N1247-C1249 PolarHBondContact O-N 3.16Å; C1249-L1253 VanDerWaalsContact O-CB 3.3Å; C1249-L1253 WeakPolarHBondContact O-CB 3.42Å; C1249-L1253 PolarHBondContact O-N 3.15Å
1250	V	78.7	Confident	78.2	Confident	9 Å²	9	44.3 Å²	44.3	6%	0.055	23%	0.232	C	C	.	.	H	α-helix	trans	-63.2	-48.5	-168.4	174.1	0	0	0	0	111.9	L1033 H1181 I1245 P1246 N1247 T1252 L1253 M1254	L1033-V1250 HydrophobicContact CD2-CG1 4.24Å; H1181-V1250 HydrophobicContact CB-CG2 3.72Å; I1245-V1250 HydrophobicContact CB-CG2 4.38Å; I1245-V1250 HydrophobicContact CG2-CG2 3.89Å; P1246-V1250 WeakPolarHBondContact O-CG2 3.32Å; N1247-V1250 PolarHBondContact O-N 3.29Å; V1250-T1252 PolarHBondContact O-N 2.83Å; V1250-L1253 PolarHBondContact O-N 2.63Å; V1250-M1254 HydrophobicContact CG1-CG 4.31Å; V1250-M1254 HydrophobicContact CG1-SD 4Å; V1250-M1254 WeakPolarHBondContact O-CB 3.45Å; V1250-M1254 VanDerWaalsContact O-CG 3.31Å; V1250-M1254 WeakPolarHBondContact O-CG 3.42Å; V1250-M1254 PolarHBondContact O-N 2.86Å
1251	E	80.3	Confident	77.8	Confident	163 Å²	163	44 Å²	44	76%	0.762	23%	0.232	S	C	*	.	H	α-helix	trans	-62.9	-46	-177	-66.1	-171.9	165.5	0	0	111.7	L1253 M1254 A1255	E1251-L1253 VanDerWaalsContact C-N 3.35Å; E1251-L1253 PolarHBondContact O-N 3.33Å; E1251-M1254 PolarHBondContact O-N 3.12Å; E1251-A1255 PolarHBondContact O-N 3.12Å
1252	T	76.8	Confident	77.5	Confident	68 Å²	68	49.3 Å²	49.3	42%	0.417	26%	0.26	S	S	.	.	H	α-helix	trans	-60.9	-43.9	176.6	-47.7	0	0	0	0	111.6	F1197 V1250 Y1256	F1197-T1252 HydrophobicContact CD1-CG2 3.35Å; F1197-T1252 HydrophobicContact CE1-CG2 3.58Å; F1197-T1252 HydrophobicContact CG-CG2 4.08Å; F1197-T1252 HydrophobicContact CZ-CG2 4.46Å; V1250-T1252 PolarHBondContact O-N 2.83Å; T1252-Y1256 PolarHBondContact O-N 3.28Å
1253	L	80.6	Confident	77.4	Confident	4 Å²	4	55 Å²	55	2%	0.021	29%	0.286	C	S	.	.	H	α-helix	trans	-62.9	-44.8	176.7	178.8	63.8	0	0	0	111.5	L1183 V1194 I1245 C1249 V1250 E1251 Y1256 L1257	L1183-L1253 HydrophobicContact CD1-CD2 4.36Å; L1183-L1253 HydrophobicContact CD2-CD2 4.29Å; V1194-L1253 HydrophobicContact CG2-CD1 4.09Å; I1245-L1253 HydrophobicContact CD1-CD2 4.15Å; I1245-L1253 HydrophobicContact CG1-CD2 3.97Å; I1245-L1253 HydrophobicContact CG2-CD2 3.97Å; C1249-L1253 VanDerWaalsContact O-CB 3.3Å; C1249-L1253 WeakPolarHBondContact O-CB 3.42Å; C1249-L1253 PolarHBondContact O-N 3.15Å; V1250-L1253 PolarHBondContact O-N 2.63Å; E1251-L1253 VanDerWaalsContact C-N 3.35Å; E1251-L1253 PolarHBondContact O-N 3.33Å; L1253-Y1256 PolarHBondContact O-N 3.39Å; L1253-L1257 HydrophobicContact CD1-CD1 4.08Å; L1253-L1257 HydrophobicContact CD1-CG 4.11Å; L1253-L1257 HydrophobicContact CD2-CD1 4.47Å; L1253-L1257 HydrophobicContact CG-CD1 3.89Å; L1253-L1257 HydrophobicContact CG-CG 4.33Å; L1253-L1257 WeakPolarHBondContact O-CG 3.47Å; L1253-L1257 PolarHBondContact O-N 3Å
1254	M	82.9	Confident	77.3	Confident	43 Å²	43	59.4 Å²	59.4	21%	0.212	31%	0.306	C	S	.	.	H	α-helix	trans	-61	-48	178.2	-74.5	-175.4	63.4	0	0	111.8	L1033 V1250 E1251 Y1256 L1257 Q1258	L1033-M1254 HydrophobicContact CD2-CG 3.5Å; L1033-M1254 VanDerWaalsContact CD2-CG 3.5Å; L1033-M1254 HydrophobicContact CD2-SD 3.84Å; V1250-M1254 HydrophobicContact CG1-CG 4.31Å; V1250-M1254 HydrophobicContact CG1-SD 4Å; V1250-M1254 WeakPolarHBondContact O-CB 3.45Å; V1250-M1254 VanDerWaalsContact O-CG 3.31Å; V1250-M1254 WeakPolarHBondContact O-CG 3.42Å; V1250-M1254 PolarHBondContact O-N 2.86Å; E1251-M1254 PolarHBondContact O-N 3.12Å; M1254-Y1256 PolarHBondContact O-N 2.8Å; M1254-L1257 PolarHBondContact O-N 3.49Å; M1254-Q1258 VanDerWaalsContact O-CG 3.29Å; M1254-Q1258 WeakPolarHBondContact O-CG 3.47Å; M1254-Q1258 PolarHBondContact O-N 2.9Å
1255	A	81.2	Confident	77.5	Confident	47 Å²	47	63.5 Å²	63.5	39%	0.388	32%	0.323	S	S	.	.	H	α-helix	trans	-57.9	-36.6	178.9	0	0	0	0	0	112.1	E1251 K1259	E1251-A1255 PolarHBondContact O-N 3.12Å; A1255-K1259 WeakPolarHBondContact O-CG 3.43Å; A1255-K1259 PolarHBondContact O-N 2.69Å
1256	Y	74.9	Confident	77.7	Confident	80 Å²	80	67.4 Å²	67.4	31%	0.314	35%	0.346	S	S	.	.	H	α-helix	trans	-74.4	-46.3	176.5	-175.8	-84.5	0	0	0	113.1	L1193 F1197 T1252 L1253 M1254 Q1258 K1259 S1260	L1193-Y1256 HydrophobicContact CD1-CD1 4.2Å; L1193-Y1256 HydrophobicContact CD1-CE1 3.31Å; L1193-Y1256 WeakPolarHBondContact CD1-OH 3.28Å; L1193-Y1256 HydrophobicContact CD2-CD2 4.49Å; L1193-Y1256 HydrophobicContact CD2-CE1 3.91Å; L1193-Y1256 HydrophobicContact CD2-CE2 3.83Å; L1193-Y1256 VanDerWaalsContact CD2-CZ 3.5Å; L1193-Y1256 HydrophobicContact CG-CE1 4.12Å; F1197-Y1256 AromaticContact CE2-CD2 3.98Å; F1197-Y1256 HydrophobicContact CE2-CD2 3.98Å; F1197-Y1256 AromaticContact CE2-CG 3.87Å; F1197-Y1256 HydrophobicContact CE2-CG 3.87Å; F1197-Y1256 AromaticContact CZ-CD2 4Å; F1197-Y1256 HydrophobicContact CZ-CD2 4Å; F1197-Y1256 HydrophobicContact CZ-CG 4.26Å; T1252-Y1256 PolarHBondContact O-N 3.28Å; L1253-Y1256 PolarHBondContact O-N 3.39Å; M1254-Y1256 PolarHBondContact O-N 2.8Å; Y1256-Q1258 PolarHBondContact O-N 3.45Å; Y1256-K1259 PolarHBondContact O-N 3.15Å; Y1256-S1260 PolarHBondContact O-N 3.42Å; Y1256-S1260 PolarHBondContact O-OG 3.01Å
1257	L	80.8	Confident	78.2	Confident	3 Å²	3	72.6 Å²	72.6	2%	0.016	37%	0.368	C	S	.	.	H	α-helix	trans	-58.4	-36.8	178.5	-72.5	174.6	0	0	0	110.8	Y1020 I1031 L1183 T1190 L1253 M1254 S1260 S1261	Y1020-L1257 HydrophobicContact CD1-CB 3.61Å; Y1020-L1257 HydrophobicContact CD2-CB 3.9Å; Y1020-L1257 HydrophobicContact CD2-CD1 3.74Å; Y1020-L1257 HydrophobicContact CD2-CG 4.35Å; Y1020-L1257 HydrophobicContact CE1-CB 3.63Å; Y1020-L1257 HydrophobicContact CE2-CB 3.89Å; Y1020-L1257 HydrophobicContact CE2-CD1 3.57Å; Y1020-L1257 HydrophobicContact CE2-CG 4.38Å; Y1020-L1257 HydrophobicContact CG-CB 3.74Å; Y1020-L1257 HydrophobicContact CG-CD1 4.41Å; I1031-L1257 HydrophobicContact CD1-CD2 4.08Å; I1031-L1257 HydrophobicContact CG2-CD1 4.31Å; I1031-L1257 HydrophobicContact CG2-CD2 4.35Å; L1183-L1257 HydrophobicContact CD1-CD1 4.11Å; T1190-L1257 HydrophobicContact CG2-CD2 4.2Å; L1253-L1257 HydrophobicContact CD1-CD1 4.08Å; L1253-L1257 HydrophobicContact CD1-CG 4.11Å; L1253-L1257 HydrophobicContact CD2-CD1 4.47Å; L1253-L1257 HydrophobicContact CG-CD1 3.89Å; L1253-L1257 HydrophobicContact CG-CG 4.33Å; L1253-L1257 WeakPolarHBondContact O-CG 3.47Å; L1253-L1257 PolarHBondContact O-N 3Å; M1254-L1257 PolarHBondContact O-N 3.49Å; L1257-S1260 WeakPolarHBondContact CA-OG 3.44Å; L1257-S1260 PolarHBondContact O-N 3.05Å; L1257-S1260 PolarHBondContact O-OG 3.48Å; L1257-S1261 WeakPolarHBondContact O-CB 3.43Å; L1257-S1261 PolarHBondContact O-N 2.92Å; L1257-S1261 PolarHBondContact O-OG 3.4Å
1258	Q	81.6	Confident	78.6	Confident	76 Å²	76	71.9 Å²	71.9	36%	0.355	38%	0.377	S	S	.	.	H	α-helix	trans	-60.9	-48.3	171.7	-71.1	176	-17.2	0	0	112.3	Y1020 M1254 Y1256 S1260 S1261 F1264	Y1020-Q1258 HydrophobicContact CE1-CG 3.72Å; M1254-Q1258 VanDerWaalsContact O-CG 3.29Å; M1254-Q1258 WeakPolarHBondContact O-CG 3.47Å; M1254-Q1258 PolarHBondContact O-N 2.9Å; Y1256-Q1258 PolarHBondContact O-N 3.45Å; Q1258-S1260 VanDerWaalsContact C-N 3.32Å; Q1258-S1260 PolarHBondContact O-N 3.1Å; Q1258-S1261 PolarHBondContact O-N 3.35Å; Q1258-S1261 PolarHBondContact O-OG 3.18Å; Q1258-F1264 HydrophobicContact CG-CD1 4.06Å; Q1258-F1264 HydrophobicContact CG-CE1 4.1Å; Q1258-F1264 HydrophobicContact CG-CG 4.38Å; Q1258-F1264 HydrophobicContact CG-CZ 4.46Å
1259	K	77.2	Confident	78.8	Confident	186 Å²	186	75.1 Å²	75.1	81%	0.809	38%	0.381	S	S	*	.	H	α-helix	trans	-64.3	-32.6	179.5	-75.3	179.5	-179.5	-178.2	0	114	A1255 Y1256	A1255-K1259 WeakPolarHBondContact O-CG 3.43Å; A1255-K1259 PolarHBondContact O-N 2.69Å; Y1256-K1259 PolarHBondContact O-N 3.15Å
1260	S	70.2	Confident	79.1	Confident	40 Å²	40	78.8 Å²	78.8	28%	0.28	40%	0.4	S	S	.	.	H	α-helix	trans	-89.7	-14.4	-178.2	52.3	0	0	0	0	113.7	Y1256 L1257 Q1258	Y1256-S1260 PolarHBondContact O-N 3.42Å; Y1256-S1260 PolarHBondContact O-OG 3.01Å; L1257-S1260 WeakPolarHBondContact CA-OG 3.44Å; L1257-S1260 PolarHBondContact O-N 3.05Å; L1257-S1260 PolarHBondContact O-OG 3.48Å; Q1258-S1260 VanDerWaalsContact C-N 3.32Å; Q1258-S1260 PolarHBondContact O-N 3.1Å
1261	S	72.3	Confident	79.1	Confident	16 Å²	16	82.4 Å²	82.4	11%	0.112	42%	0.418	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	143.5	177.2	69.1	0	0	0	0	111.9	V1021 L1257 Q1258 Q1263	V1021-S1261 WeakPolarHBondContact O-CA 3.47Å; V1021-S1261 WeakPolarHBondContact O-CB 3.41Å; L1257-S1261 WeakPolarHBondContact O-CB 3.43Å; L1257-S1261 PolarHBondContact O-N 2.92Å; L1257-S1261 PolarHBondContact O-OG 3.4Å; Q1258-S1261 PolarHBondContact O-N 3.35Å; Q1258-S1261 PolarHBondContact O-OG 3.18Å; S1261-Q1263 VanDerWaalsContact C-N 3.33Å
1262	N	71.3	Confident	79.1	Confident	119 Å²	119	77.9 Å²	77.9	64%	0.636	40%	0.399	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71	-35.4	168.8	-83.5	-23	0	0	0	111.4	V1021 T1023	V1021-N1262 PolarHBondContact O-N 3.17Å; V1021-N1262 VanDerWaalsContact O-N 3.12Å; T1023-N1262 WeakPolarHBondContact CG2-OD1 3.31Å
1263	Q	80.8	Confident	79.2	Confident	119 Å²	119	78.5 Å²	78.5	56%	0.556	40%	0.397	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-147.6	145.3	-176.2	-65.7	180	-9.8	0	0	109.1	V1021 S1261 F1265	V1021-Q1263 PolarHBondContact N-O 3.21Å; S1261-Q1263 VanDerWaalsContact C-N 3.33Å; Q1263-F1265 HydrophobicContact CB-CE2 4.06Å; Q1263-F1265 HydrophobicContact CB-CZ 4.15Å
1264	F	82.4	Confident	79.1	Confident	97 Å²	97	83.2 Å²	83.2	43%	0.425	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	147	169.2	69.7	-88.1	0	0	0	110.9	T1018 T1019 Y1020 Q1258 V1266	T1018-F1264 HydrophobicContact CG2-CD2 4.39Å; T1019-F1264 CarbonylContact O-C 3.58Å; T1019-F1264 WeakPolarHBondContact O-CA 3.46Å; Y1020-F1264 HydrophobicContact CD1-CB 3.66Å; Y1020-F1264 HydrophobicContact CE1-CB 3.99Å; Y1020-F1264 HydrophobicContact CE1-CG 4.43Å; Y1020-F1264 HydrophobicContact CG-CB 4.49Å; Q1258-F1264 HydrophobicContact CG-CD1 4.06Å; Q1258-F1264 HydrophobicContact CG-CE1 4.1Å; Q1258-F1264 HydrophobicContact CG-CG 4.38Å; Q1258-F1264 HydrophobicContact CG-CZ 4.46Å; F1264-V1266 HydrophobicContact CD2-CG2 4.37Å; F1264-V1266 HydrophobicContact CE2-CG2 4.48Å
1265	F	85.8	Confident	78.9	Confident	112 Å²	112	85.9 Å²	85.9	49%	0.491	44%	0.435	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	137.2	-177.8	-54.6	-87.8	0	0	0	109	T1018 T1019 V1021 Q1263	T1018-F1265 CarbonylContact C-O 3.5Å; T1018-F1265 WeakPolarHBondContact CA-O 3.39Å; T1019-F1265 PolarHBondContact N-O 3.49Å; T1019-F1265 PolarHBondContact O-N 3.22Å; V1021-F1265 HydrophobicContact CG2-CD2 4.33Å; V1021-F1265 HydrophobicContact CG2-CE2 3.89Å; Q1263-F1265 HydrophobicContact CB-CE2 4.06Å; Q1263-F1265 HydrophobicContact CB-CZ 4.15Å
1266	V	85.5	Confident	78.7	Confident	83 Å²	83	88.6 Å²	88.6	50%	0.503	44%	0.438	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	125.1	175.3	177.8	0	0	0	0	108.7	K1016 T1017 T1018 F1264	K1016-V1266 HydrophobicContact CD-CG1 4.27Å; K1016-V1266 VanDerWaalsContact CE-CG1 3.41Å; K1016-V1266 HydrophobicContact CG-CG1 4.17Å; T1017-V1266 WeakPolarHBondContact O-CA 3.49Å; T1018-V1266 HydrophobicContact CG2-CG2 3.89Å; F1264-V1266 HydrophobicContact CD2-CG2 4.37Å; F1264-V1266 HydrophobicContact CE2-CG2 4.48Å
1267	K	84.9	Confident	79	Confident	123 Å²	123	89.3 Å²	89.3	54%	0.535	45%	0.448	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	115.3	173.4	-173.7	173.8	176.6	-174.9	0	109.7	K1016 T1017 Y1269	K1016-K1267 CarbonylContact C-O 3.53Å; K1016-K1267 WeakPolarHBondContact CA-O 3.11Å; T1017-K1267 PolarHBondContact N-O 3.49Å; T1017-K1267 PolarHBondContact O-N 2.95Å; K1267-Y1269 HydrophobicContact CB-CE2 4.38Å; K1267-Y1269 HydrophobicContact CD-CE1 4.37Å; K1267-Y1269 HydrophobicContact CD-CE2 4.22Å; K1267-Y1269 HydrophobicContact CG-CE2 4.07Å
1268	G	80.2	Confident	78.8	Confident	58 Å²	58	96.5 Å²	96.5	60%	0.598	48%	0.484	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.8	150.3	164.3	0	0	0	0	0	110.3
1269	Y	73.6	Confident	78.6	Confident	129 Å²	129	98.4 Å²	98.4	51%	0.506	50%	0.496	S	S	.	.			trans	-118.5	0	-179.6	-75.8	-91.4	0	0	0	111.4	K1014 V1015 K1267	K1014-Y1269 HydrophobicContact CD-CD2 4.21Å; K1014-Y1269 HydrophobicContact CD-CE1 4.41Å; K1014-Y1269 HydrophobicContact CD-CE2 3.91Å; K1014-Y1269 HydrophobicContact CG-CD2 3.94Å; K1014-Y1269 HydrophobicContact CG-CE2 4.09Å; K1014-Y1269 HydrophobicContact CG-CG 4.36Å; K1014-Y1269 WeakPolarHBondContact O-CB 3.36Å; V1015-Y1269 PolarHBondContact O-N 3.47Å; V1015-Y1269 VanDerWaalsContact O-N 3.11Å; K1267-Y1269 HydrophobicContact CB-CE2 4.38Å; K1267-Y1269 HydrophobicContact CD-CE1 4.37Å; K1267-Y1269 HydrophobicContact CD-CE2 4.22Å; K1267-Y1269 HydrophobicContact CG-CE2 4.07Å

Retrieved 1,269 of 1,269 residues in 1734.2 ms (Link to these results)

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